number_ resnum chain resname atname typenum typenam covrad vdwrad surface volume refvol packeff goodbad 1 17 A GLY N 12 N3H1s 0.700 1.640 28.592 -1.000 14.854 -1.000 bad 2 17 A GLY CA 8 C4H2s 0.770 1.880 42.842 -1.000 23.688 -1.000 bad 3 17 A GLY C 2 C3H0b 0.770 1.610 1.979 -1.000 9.840 -1.000 bad 4 17 A GLY O 16 O1H0u 0.660 1.420 15.180 -1.000 16.391 -1.000 bad 5 18 A PHE N 12 N3H1s 0.700 1.640 8.314 -1.000 13.691 -1.000 bad 6 18 A PHE CA 3 C4H1s 0.770 1.880 9.974 -1.000 13.449 -1.000 bad 7 18 A PHE C 1 C3H0s 0.770 1.610 2.401 7.882 8.753 0.901 [OK] 8 18 A PHE O 16 O1H0u 0.660 1.420 2.522 14.630 16.151 0.906 [OK] 9 18 A PHE CB 8 C4H2s 0.770 1.880 16.348 -1.000 23.777 -1.000 bad 10 18 A PHE CG 2 C3H0b 0.770 1.610 0.531 -1.000 9.721 -1.000 bad 11 18 A PHE CD1 5 C3H1s 0.770 1.760 7.596 -1.000 20.405 -1.000 bad 12 18 A PHE CD2 6 C3H1b 0.770 1.760 18.902 -1.000 21.051 -1.000 bad 13 18 A PHE CE1 6 C3H1b 0.770 1.760 20.248 -1.000 21.580 -1.000 bad 14 18 A PHE CE2 6 C3H1b 0.770 1.760 34.993 -1.000 21.680 -1.000 bad 15 18 A PHE CZ 6 C3H1b 0.770 1.760 29.145 -1.000 21.666 -1.000 bad 16 19 A PHE N 12 N3H1s 0.700 1.640 3.325 -1.000 13.691 -1.000 bad 17 19 A PHE CA 3 C4H1s 0.770 1.880 3.289 13.784 13.449 1.025 possible 18 19 A PHE C 1 C3H0s 0.770 1.610 2.251 8.010 8.753 0.915 [OK] 19 19 A PHE O 16 O1H0u 0.660 1.420 2.339 13.651 16.151 0.845 [OK] 20 19 A PHE CB 8 C4H2s 0.770 1.880 24.667 -1.000 23.777 -1.000 bad 21 19 A PHE CG 2 C3H0b 0.770 1.610 0.573 -1.000 9.721 -1.000 bad 22 19 A PHE CD1 5 C3H1s 0.770 1.760 15.109 -1.000 20.405 -1.000 bad 23 19 A PHE CD2 6 C3H1b 0.770 1.760 12.688 -1.000 21.051 -1.000 bad 24 19 A PHE CE1 6 C3H1b 0.770 1.760 17.227 -1.000 21.580 -1.000 bad 25 19 A PHE CE2 6 C3H1b 0.770 1.760 17.311 -1.000 21.680 -1.000 bad 26 19 A PHE CZ 6 C3H1b 0.770 1.760 18.071 -1.000 21.666 -1.000 bad 27 20 A THR N 12 N3H1s 0.700 1.640 3.084 15.255 13.832 1.103 possible 28 20 A THR CA 3 C4H1s 0.770 1.880 2.491 11.342 13.099 0.866 [OK] 29 20 A THR C 1 C3H0s 0.770 1.610 2.598 7.976 8.738 0.913 [OK] 30 20 A THR O 16 O1H0u 0.660 1.420 5.375 23.694 16.020 1.479 possible 31 20 A THR CB 4 C4H1b 0.770 1.880 3.655 15.812 14.829 1.066 possible 32 20 A THR OG1 17 O2H1u 0.660 1.460 25.798 -1.000 18.123 -1.000 bad 33 20 A THR CG2 10 C4H3u 0.770 1.880 49.220 -1.000 36.542 -1.000 bad 34 21 A ARG N 12 N3H1s 0.700 1.640 3.636 16.425 13.650 1.203 possible 35 21 A ARG CA 3 C4H1s 0.770 1.880 6.152 31.583 13.422 2.353 possible 36 21 A ARG C 1 C3H0s 0.770 1.610 2.351 8.024 8.838 0.908 [OK] 37 21 A ARG O 16 O1H0u 0.660 1.420 4.804 24.966 16.084 1.552 possible 38 21 A ARG CB 8 C4H2s 0.770 1.880 3.672 21.368 23.088 0.925 possible 39 21 A ARG CG 8 C4H2s 0.770 1.880 28.866 -1.000 23.640 -1.000 bad 40 21 A ARG CD 8 C4H2s 0.770 1.880 13.226 -1.000 23.300 -1.000 bad 41 21 A ARG NE 13 N3H1b 0.700 1.640 6.002 30.163 15.569 1.937 possible 42 21 A ARG CZ 2 C3H0b 0.770 1.610 5.935 16.627 9.747 1.706 possible 43 21 A ARG NH1 15 N3H2u 0.700 1.640 20.974 -1.000 22.782 -1.000 bad 44 21 A ARG NH2 15 N3H2u 0.700 1.640 4.428 49.132 23.810 2.063 possible 45 22 A TRP N 12 N3H1s 0.700 1.640 2.265 12.545 13.791 0.910 [OK] 46 22 A TRP CA 3 C4H1s 0.770 1.880 2.814 13.390 13.377 1.001 [OK] 47 22 A TRP C 1 C3H0s 0.770 1.610 2.634 8.991 8.724 1.031 [OK] 48 22 A TRP O 16 O1H0u 0.660 1.420 2.745 18.871 15.951 1.183 [OK] 49 22 A TRP CB 8 C4H2s 0.770 1.880 3.379 25.383 24.004 1.057 possible 50 22 A TRP CG 2 C3H0b 0.770 1.610 3.830 12.258 9.965 1.230 possible 51 22 A TRP CD1 5 C3H1s 0.770 1.760 3.656 22.221 20.874 1.065 possible 52 22 A TRP CD2 2 C3H0b 0.770 1.610 4.200 14.209 10.097 1.407 possible 53 22 A TRP NE1 13 N3H1b 0.700 1.640 17.922 -1.000 16.969 -1.000 bad 54 22 A TRP CE2 2 C3H0b 0.770 1.610 4.545 15.310 9.889 1.548 possible 55 22 A TRP CE3 6 C3H1b 0.770 1.760 3.555 26.601 20.448 1.301 possible 56 22 A TRP CZ2 6 C3H1b 0.770 1.760 5.579 47.027 21.012 2.238 possible 57 22 A TRP CZ3 6 C3H1b 0.770 1.760 3.352 21.251 21.516 0.988 possible 58 22 A TRP CH2 6 C3H1b 0.770 1.760 3.524 26.784 21.339 1.255 possible 59 23 A PHE N 12 N3H1s 0.700 1.640 2.521 12.136 13.691 0.886 [OK] 60 23 A PHE CA 3 C4H1s 0.770 1.880 2.896 13.927 13.449 1.036 [OK] 61 23 A PHE C 1 C3H0s 0.770 1.610 2.445 8.916 8.753 1.019 [OK] 62 23 A PHE O 16 O1H0u 0.660 1.420 2.684 17.262 16.151 1.069 [OK] 63 23 A PHE CB 8 C4H2s 0.770 1.880 2.728 19.164 23.777 0.806 [OK] 64 23 A PHE CG 2 C3H0b 0.770 1.610 3.000 9.800 9.721 1.008 [OK] 65 23 A PHE CD1 5 C3H1s 0.770 1.760 3.361 20.926 20.405 1.026 possible 66 23 A PHE CD2 6 C3H1b 0.770 1.760 3.153 19.880 21.051 0.944 possible 67 23 A PHE CE1 6 C3H1b 0.770 1.760 5.929 46.001 21.580 2.132 possible 68 23 A PHE CE2 6 C3H1b 0.770 1.760 9.256 -1.000 21.680 -1.000 bad 69 23 A PHE CZ 6 C3H1b 0.770 1.760 29.345 -1.000 21.666 -1.000 bad 70 24 A MET N 12 N3H1s 0.700 1.640 2.449 12.135 13.564 0.895 [OK] 71 24 A MET CA 3 C4H1s 0.770 1.880 3.008 12.794 13.231 0.967 possible 72 24 A MET C 1 C3H0s 0.770 1.610 3.148 9.837 8.782 1.120 possible 73 24 A MET O 16 O1H0u 0.660 1.420 17.020 -1.000 16.277 -1.000 bad 74 24 A MET CB 8 C4H2s 0.770 1.880 6.988 33.880 23.645 1.433 possible 75 24 A MET CG 9 C4H2b 0.770 1.880 5.624 37.452 24.009 1.560 possible 76 24 A MET SD 19 S2H0u 1.040 1.770 30.514 -1.000 30.093 -1.000 bad 77 24 A MET CE 10 C4H3u 0.770 1.880 23.513 -1.000 37.161 -1.000 bad 78 25 A SER N 12 N3H1s 0.700 1.640 3.110 14.039 14.103 0.995 possible 79 25 A SER CA 3 C4H1s 0.770 1.880 6.735 35.046 13.476 2.601 possible 80 25 A SER C 1 C3H0s 0.770 1.610 2.692 9.143 8.923 1.025 [OK] 81 25 A SER O 16 O1H0u 0.660 1.420 2.711 16.112 16.179 0.996 [OK] 82 25 A SER CB 8 C4H2s 0.770 1.880 5.205 28.157 23.884 1.179 possible 83 25 A SER OG 17 O2H1u 0.660 1.460 4.928 32.648 18.732 1.743 possible 84 26 A THR N 12 N3H1s 0.700 1.640 4.652 18.969 13.832 1.371 possible 85 26 A THR CA 3 C4H1s 0.770 1.880 2.897 13.622 13.099 1.040 [OK] 86 26 A THR C 1 C3H0s 0.770 1.610 2.650 9.420 8.738 1.078 [OK] 87 26 A THR O 16 O1H0u 0.660 1.420 2.508 17.356 16.020 1.083 [OK] 88 26 A THR CB 4 C4H1b 0.770 1.880 2.820 11.488 14.829 0.775 [OK] 89 26 A THR OG1 17 O2H1u 0.660 1.460 26.075 -1.000 18.123 -1.000 bad 90 26 A THR CG2 10 C4H3u 0.770 1.880 25.419 -1.000 36.542 -1.000 bad 91 27 A ASN N 12 N3H1s 0.700 1.640 3.995 18.057 13.695 1.318 possible 92 27 A ASN CA 3 C4H1s 0.770 1.880 3.529 12.615 13.167 0.958 possible 93 27 A ASN C 1 C3H0s 0.770 1.610 2.245 7.816 8.928 0.875 [OK] 94 27 A ASN O 16 O1H0u 0.660 1.420 2.536 14.816 16.199 0.915 [OK] 95 27 A ASN CB 8 C4H2s 0.770 1.880 4.948 40.635 23.128 1.757 possible 96 27 A ASN CG 2 C3H0b 0.770 1.610 3.434 10.757 9.599 1.121 possible 97 27 A ASN OD1 16 O1H0u 0.660 1.420 3.401 24.754 16.664 1.485 possible 98 27 A ASN ND2 15 N3H2u 0.700 1.640 3.434 26.569 23.083 1.151 possible 99 28 A HIS N 12 N3H1s 0.700 1.640 2.340 13.179 13.715 0.961 [OK] 100 28 A HIS CA 3 C4H1s 0.770 1.880 2.828 13.939 13.467 1.035 [OK] 101 28 A HIS C 1 C3H0s 0.770 1.610 2.282 8.103 8.882 0.912 [OK] 102 28 A HIS O 16 O1H0u 0.660 1.420 2.464 16.910 16.082 1.051 [OK] 103 28 A HIS CB 8 C4H2s 0.770 1.880 2.951 23.841 23.653 1.008 [OK] 104 28 A HIS CG 2 C3H0b 0.770 1.610 2.542 9.052 9.952 0.910 [OK] 105 28 A HIS ND1 13 N3H1b 0.700 1.640 2.564 15.931 15.506 1.027 [OK] 106 28 A HIS CD2 5 C3H1s 0.770 1.760 2.610 16.170 21.085 0.767 [OK] 107 28 A HIS CE1 5 C3H1s 0.770 1.760 2.985 22.402 20.636 1.086 [OK] 108 28 A HIS NE2 13 N3H1b 0.700 1.640 2.716 15.736 15.337 1.026 [OK] 109 29 A LYS N 12 N3H1s 0.700 1.640 2.325 12.579 13.675 0.920 [OK] 110 29 A LYS CA 3 C4H1s 0.770 1.880 2.669 13.321 13.324 1.000 [OK] 111 29 A LYS C 1 C3H0s 0.770 1.610 3.059 9.058 8.759 1.034 possible 112 29 A LYS O 16 O1H0u 0.660 1.420 2.704 16.155 16.049 1.007 [OK] 113 29 A LYS CB 8 C4H2s 0.770 1.880 3.594 23.621 22.904 1.031 possible 114 29 A LYS CG 8 C4H2s 0.770 1.880 2.993 24.437 23.131 1.056 [OK] 115 29 A LYS CD 8 C4H2s 0.770 1.880 3.154 26.408 23.837 1.108 possible 116 29 A LYS CE 9 C4H2b 0.770 1.880 2.962 25.184 23.934 1.052 [OK] 117 29 A LYS NZ 14 N4H3u 0.700 1.640 4.368 49.235 21.213 2.321 possible 118 30 A ASP N 12 N3H1s 0.700 1.640 2.583 13.512 13.895 0.972 [OK] 119 30 A ASP CA 3 C4H1s 0.770 1.880 2.825 13.747 13.377 1.028 [OK] 120 30 A ASP C 1 C3H0s 0.770 1.610 2.935 9.133 8.816 1.036 [OK] 121 30 A ASP O 16 O1H0u 0.660 1.420 2.632 16.246 16.091 1.010 [OK] 122 30 A ASP CB 8 C4H2s 0.770 1.880 3.258 26.157 23.481 1.114 possible 123 30 A ASP CG 2 C3H0b 0.770 1.610 2.750 9.559 9.422 1.015 [OK] 124 30 A ASP OD1 16 O1H0u 0.660 1.420 3.522 29.322 15.505 1.891 possible 125 30 A ASP OD2 16 O1H0u 0.660 1.420 3.301 20.107 16.324 1.232 possible 126 31 A ILE N 12 N3H1s 0.700 1.640 3.024 14.702 13.633 1.078 possible 127 31 A ILE CA 3 C4H1s 0.770 1.880 2.957 13.811 13.007 1.062 [OK] 128 31 A ILE C 1 C3H0s 0.770 1.610 2.342 7.675 8.470 0.906 [OK] 129 31 A ILE O 16 O1H0u 0.660 1.420 2.540 13.945 16.144 0.864 [OK] 130 31 A ILE CB 4 C4H1b 0.770 1.880 2.831 14.300 14.227 1.005 [OK] 131 31 A ILE CG1 9 C4H2b 0.770 1.880 2.971 22.312 24.187 0.922 [OK] 132 31 A ILE CG2 10 C4H3u 0.770 1.880 2.952 31.523 35.961 0.877 [OK] 133 31 A ILE CD1 10 C4H3u 0.770 1.880 3.272 36.996 38.377 0.964 possible 134 32 A GLY N 12 N3H1s 0.700 1.640 2.496 14.341 14.854 0.965 [OK] 135 32 A GLY CA 8 C4H2s 0.770 1.880 2.838 24.322 23.688 1.027 [OK] 136 32 A GLY C 2 C3H0b 0.770 1.610 3.146 10.723 9.840 1.090 possible 137 32 A GLY O 16 O1H0u 0.660 1.420 2.912 14.910 16.391 0.910 [OK] 138 33 A ILE N 12 N3H1s 0.700 1.640 3.131 14.483 13.633 1.062 possible 139 33 A ILE CA 3 C4H1s 0.770 1.880 3.253 15.707 13.007 1.208 possible 140 33 A ILE C 1 C3H0s 0.770 1.610 2.646 8.257 8.470 0.975 [OK] 141 33 A ILE O 16 O1H0u 0.660 1.420 2.845 15.817 16.144 0.980 [OK] 142 33 A ILE CB 4 C4H1b 0.770 1.880 3.025 14.231 14.227 1.000 possible 143 33 A ILE CG1 9 C4H2b 0.770 1.880 3.345 26.279 24.187 1.086 possible 144 33 A ILE CG2 10 C4H3u 0.770 1.880 4.366 44.216 35.961 1.230 possible 145 33 A ILE CD1 10 C4H3u 0.770 1.880 4.043 48.856 38.377 1.273 possible 146 34 A LEU N 12 N3H1s 0.700 1.640 2.826 12.276 13.655 0.899 [OK] 147 34 A LEU CA 3 C4H1s 0.770 1.880 3.075 13.310 13.122 1.014 possible 148 34 A LEU C 1 C3H0s 0.770 1.610 2.268 7.948 8.825 0.901 [OK] 149 34 A LEU O 16 O1H0u 0.660 1.420 3.072 15.524 16.208 0.958 possible 150 34 A LEU CB 8 C4H2s 0.770 1.880 2.957 19.351 22.951 0.843 [OK] 151 34 A LEU CG 4 C4H1b 0.770 1.880 3.026 15.221 14.764 1.031 possible 152 34 A LEU CD1 10 C4H3u 0.770 1.880 3.271 42.591 37.425 1.138 possible 153 34 A LEU CD2 10 C4H3u 0.770 1.880 4.570 62.771 37.143 1.690 possible 154 35 A TYR N 12 N3H1s 0.700 1.640 2.423 12.713 13.691 0.929 [OK] 155 35 A TYR CA 3 C4H1s 0.770 1.880 2.796 14.662 13.330 1.100 [OK] 156 35 A TYR C 1 C3H0s 0.770 1.610 2.621 8.650 8.770 0.986 [OK] 157 35 A TYR O 16 O1H0u 0.660 1.420 2.482 17.292 16.124 1.072 [OK] 158 35 A TYR CB 8 C4H2s 0.770 1.880 2.894 21.368 23.678 0.902 [OK] 159 35 A TYR CG 2 C3H0b 0.770 1.610 2.280 9.281 9.732 0.954 [OK] 160 35 A TYR CD1 5 C3H1s 0.770 1.760 2.910 21.097 20.171 1.046 [OK] 161 35 A TYR CD2 5 C3H1s 0.770 1.760 2.705 18.081 20.728 0.872 [OK] 162 35 A TYR CE1 5 C3H1s 0.770 1.760 4.051 29.808 20.675 1.442 possible 163 35 A TYR CE2 5 C3H1s 0.770 1.760 2.975 20.178 20.810 0.970 [OK] 164 35 A TYR CZ 2 C3H0b 0.770 1.610 2.971 10.616 9.926 1.070 [OK] 165 35 A TYR OH 17 O2H1u 0.660 1.460 3.618 29.552 19.173 1.541 possible 166 36 A LEU N 12 N3H1s 0.700 1.640 2.646 13.307 13.655 0.975 [OK] 167 36 A LEU CA 3 C4H1s 0.770 1.880 2.847 13.669 13.122 1.042 [OK] 168 36 A LEU C 1 C3H0s 0.770 1.610 2.396 8.216 8.825 0.931 [OK] 169 36 A LEU O 16 O1H0u 0.660 1.420 2.406 17.185 16.208 1.060 [OK] 170 36 A LEU CB 8 C4H2s 0.770 1.880 3.073 23.450 22.951 1.022 possible 171 36 A LEU CG 4 C4H1b 0.770 1.880 3.410 16.056 14.764 1.088 possible 172 36 A LEU CD1 10 C4H3u 0.770 1.880 3.477 45.187 37.425 1.207 possible 173 36 A LEU CD2 10 C4H3u 0.770 1.880 3.099 36.341 37.143 0.978 possible 174 37 A PHE N 12 N3H1s 0.700 1.640 2.602 13.187 13.691 0.963 [OK] 175 37 A PHE CA 3 C4H1s 0.770 1.880 2.748 13.015 13.449 0.968 [OK] 176 37 A PHE C 1 C3H0s 0.770 1.610 3.566 8.898 8.753 1.017 possible 177 37 A PHE O 16 O1H0u 0.660 1.420 3.045 17.616 16.151 1.091 possible 178 37 A PHE CB 8 C4H2s 0.770 1.880 5.872 52.849 23.777 2.223 possible 179 37 A PHE CG 2 C3H0b 0.770 1.610 6.460 17.850 9.721 1.836 possible 180 37 A PHE CD1 5 C3H1s 0.770 1.760 10.202 -1.000 20.405 -1.000 bad 181 37 A PHE CD2 6 C3H1b 0.770 1.760 4.669 29.072 21.051 1.381 possible 182 37 A PHE CE1 6 C3H1b 0.770 1.760 7.999 40.648 21.580 1.884 possible 183 37 A PHE CE2 6 C3H1b 0.770 1.760 5.588 33.879 21.680 1.563 possible 184 37 A PHE CZ 6 C3H1b 0.770 1.760 6.560 43.726 21.666 2.018 possible 185 38 A THR N 12 N3H1s 0.700 1.640 4.015 14.346 13.832 1.037 possible 186 38 A THR CA 3 C4H1s 0.770 1.880 4.301 18.744 13.099 1.431 possible 187 38 A THR C 1 C3H0s 0.770 1.610 2.273 7.965 8.738 0.912 [OK] 188 38 A THR O 16 O1H0u 0.660 1.420 2.992 15.057 16.020 0.940 [OK] 189 38 A THR CB 4 C4H1b 0.770 1.880 2.652 13.628 14.829 0.919 [OK] 190 38 A THR OG1 17 O2H1u 0.660 1.460 4.853 27.160 18.123 1.499 possible 191 38 A THR CG2 10 C4H3u 0.770 1.880 5.675 59.483 36.542 1.628 possible 192 39 A ALA N 12 N3H1s 0.700 1.640 2.436 12.563 14.046 0.894 [OK] 193 39 A ALA CA 4 C4H1b 0.770 1.880 2.675 14.240 14.063 1.013 [OK] 194 39 A ALA C 1 C3H0s 0.770 1.610 2.438 8.505 8.900 0.956 [OK] 195 39 A ALA O 16 O1H0u 0.660 1.420 2.484 17.051 16.188 1.053 [OK] 196 39 A ALA CB 10 C4H3u 0.770 1.880 2.965 37.242 36.782 1.013 [OK] 197 40 A GLY N 12 N3H1s 0.700 1.640 2.357 13.053 14.854 0.879 [OK] 198 40 A GLY CA 8 C4H2s 0.770 1.880 3.207 26.919 23.688 1.136 possible 199 40 A GLY C 2 C3H0b 0.770 1.610 2.985 10.736 9.840 1.091 [OK] 200 40 A GLY O 16 O1H0u 0.660 1.420 2.928 21.066 16.391 1.285 [OK] 201 41 A ILE N 12 N3H1s 0.700 1.640 2.711 12.543 13.633 0.920 [OK] 202 41 A ILE CA 3 C4H1s 0.770 1.880 3.205 13.816 13.007 1.062 possible 203 41 A ILE C 1 C3H0s 0.770 1.610 2.332 7.724 8.470 0.912 [OK] 204 41 A ILE O 16 O1H0u 0.660 1.420 3.149 16.000 16.144 0.991 possible 205 41 A ILE CB 4 C4H1b 0.770 1.880 4.201 16.845 14.227 1.184 possible 206 41 A ILE CG1 9 C4H2b 0.770 1.880 16.677 -1.000 24.187 -1.000 bad 207 41 A ILE CG2 10 C4H3u 0.770 1.880 36.484 -1.000 35.961 -1.000 bad 208 41 A ILE CD1 10 C4H3u 0.770 1.880 39.286 -1.000 38.377 -1.000 bad 209 42 A VAL N 12 N3H1s 0.700 1.640 2.838 13.304 13.676 0.973 [OK] 210 42 A VAL CA 3 C4H1s 0.770 1.880 2.974 14.003 13.123 1.067 [OK] 211 42 A VAL C 1 C3H0s 0.770 1.610 2.044 7.397 8.563 0.864 [OK] 212 42 A VAL O 16 O1H0u 0.660 1.420 2.404 14.568 16.181 0.900 [OK] 213 42 A VAL CB 4 C4H1b 0.770 1.880 2.649 13.708 14.598 0.939 [OK] 214 42 A VAL CG1 10 C4H3u 0.770 1.880 3.655 37.382 36.584 1.022 possible 215 42 A VAL CG2 10 C4H3u 0.770 1.880 4.159 45.235 36.332 1.245 possible 216 43 A GLY N 12 N3H1s 0.700 1.640 2.290 12.172 14.854 0.819 [OK] 217 43 A GLY CA 8 C4H2s 0.770 1.880 2.972 26.399 23.688 1.114 [OK] 218 43 A GLY C 2 C3H0b 0.770 1.610 2.878 10.016 9.840 1.018 [OK] 219 43 A GLY O 16 O1H0u 0.660 1.420 2.697 15.800 16.391 0.964 [OK] 220 44 A LEU N 12 N3H1s 0.700 1.640 2.627 12.902 13.655 0.945 [OK] 221 44 A LEU CA 3 C4H1s 0.770 1.880 2.759 13.006 13.122 0.991 [OK] 222 44 A LEU C 1 C3H0s 0.770 1.610 2.942 8.145 8.825 0.923 [OK] 223 44 A LEU O 16 O1H0u 0.660 1.420 2.988 15.047 16.208 0.928 [OK] 224 44 A LEU CB 8 C4H2s 0.770 1.880 3.418 27.007 22.951 1.177 possible 225 44 A LEU CG 4 C4H1b 0.770 1.880 4.293 19.607 14.764 1.328 possible 226 44 A LEU CD1 10 C4H3u 0.770 1.880 3.903 40.120 37.425 1.072 possible 227 44 A LEU CD2 10 C4H3u 0.770 1.880 45.852 -1.000 37.143 -1.000 bad 228 45 A ILE N 12 N3H1s 0.700 1.640 3.053 12.954 13.633 0.950 possible 229 45 A ILE CA 3 C4H1s 0.770 1.880 3.781 16.897 13.007 1.299 possible 230 45 A ILE C 1 C3H0s 0.770 1.610 2.522 7.622 8.470 0.900 [OK] 231 45 A ILE O 16 O1H0u 0.660 1.420 3.069 15.343 16.144 0.950 possible 232 45 A ILE CB 4 C4H1b 0.770 1.880 3.050 13.179 14.227 0.926 possible 233 45 A ILE CG1 9 C4H2b 0.770 1.880 20.211 -1.000 24.187 -1.000 bad 234 45 A ILE CG2 10 C4H3u 0.770 1.880 6.698 61.926 35.961 1.722 possible 235 45 A ILE CD1 10 C4H3u 0.770 1.880 32.638 -1.000 38.377 -1.000 bad 236 46 A SER N 12 N3H1s 0.700 1.640 2.545 12.654 14.103 0.897 [OK] 237 46 A SER CA 3 C4H1s 0.770 1.880 2.745 14.333 13.476 1.064 [OK] 238 46 A SER C 1 C3H0s 0.770 1.610 2.294 8.600 8.923 0.964 [OK] 239 46 A SER O 16 O1H0u 0.660 1.420 2.632 16.122 16.179 0.996 [OK] 240 46 A SER CB 8 C4H2s 0.770 1.880 2.813 23.652 23.884 0.990 [OK] 241 46 A SER OG 17 O2H1u 0.660 1.460 2.403 16.251 18.732 0.868 [OK] 242 47 A VAL N 12 N3H1s 0.700 1.640 2.350 12.092 13.676 0.884 [OK] 243 47 A VAL CA 3 C4H1s 0.770 1.880 3.164 13.393 13.123 1.021 possible 244 47 A VAL C 1 C3H0s 0.770 1.610 2.386 7.808 8.563 0.912 [OK] 245 47 A VAL O 16 O1H0u 0.660 1.420 2.383 12.897 16.181 0.797 [OK] 246 47 A VAL CB 4 C4H1b 0.770 1.880 2.767 14.435 14.598 0.989 [OK] 247 47 A VAL CG1 10 C4H3u 0.770 1.880 3.409 41.292 36.584 1.129 possible 248 47 A VAL CG2 10 C4H3u 0.770 1.880 3.180 39.098 36.332 1.076 possible 249 48 A CYS N 12 N3H1s 0.700 1.640 2.559 12.005 13.981 0.859 [OK] 250 48 A CYS CA 3 C4H1s 0.770 1.880 3.715 16.034 13.656 1.174 possible 251 48 A CYS C 1 C3H0s 0.770 1.610 3.677 9.444 8.897 1.061 possible 252 48 A CYS O 16 O1H0u 0.660 1.420 4.651 32.530 16.543 1.966 possible 253 48 A CYS CB 9 C4H2b 0.770 1.880 21.926 -1.000 23.536 -1.000 bad 254 48 A CYS SG 20 S2H1u 1.040 1.770 25.081 -1.000 34.603 -1.000 bad 255 49 A PHE N 12 N3H1s 0.700 1.640 3.107 13.726 13.691 1.003 possible 256 49 A PHE CA 3 C4H1s 0.770 1.880 3.679 14.972 13.449 1.113 possible 257 49 A PHE C 1 C3H0s 0.770 1.610 2.434 8.000 8.753 0.914 [OK] 258 49 A PHE O 16 O1H0u 0.660 1.420 2.361 14.008 16.151 0.867 [OK] 259 49 A PHE CB 8 C4H2s 0.770 1.880 2.883 24.608 23.777 1.035 [OK] 260 49 A PHE CG 2 C3H0b 0.770 1.610 2.544 10.661 9.721 1.097 [OK] 261 49 A PHE CD1 5 C3H1s 0.770 1.760 5.730 29.715 20.405 1.456 possible 262 49 A PHE CD2 6 C3H1b 0.770 1.760 2.821 20.937 21.051 0.995 [OK] 263 49 A PHE CE1 6 C3H1b 0.770 1.760 20.123 -1.000 21.580 -1.000 bad 264 49 A PHE CE2 6 C3H1b 0.770 1.760 3.483 22.165 21.680 1.022 possible 265 49 A PHE CZ 6 C3H1b 0.770 1.760 3.642 29.008 21.666 1.339 possible 266 50 A THR N 12 N3H1s 0.700 1.640 2.578 13.348 13.832 0.965 [OK] 267 50 A THR CA 3 C4H1s 0.770 1.880 3.068 13.161 13.099 1.005 possible 268 50 A THR C 1 C3H0s 0.770 1.610 2.285 7.366 8.738 0.843 [OK] 269 50 A THR O 16 O1H0u 0.660 1.420 2.770 17.624 16.020 1.100 [OK] 270 50 A THR CB 4 C4H1b 0.770 1.880 2.868 12.331 14.829 0.832 [OK] 271 50 A THR OG1 17 O2H1u 0.660 1.460 2.688 18.681 18.123 1.031 [OK] 272 50 A THR CG2 10 C4H3u 0.770 1.880 3.289 29.901 36.542 0.818 possible 273 51 A VAL N 12 N3H1s 0.700 1.640 2.331 11.518 13.676 0.842 [OK] 274 51 A VAL CA 3 C4H1s 0.770 1.880 3.145 15.556 13.123 1.185 possible 275 51 A VAL C 1 C3H0s 0.770 1.610 2.530 7.957 8.563 0.929 [OK] 276 51 A VAL O 16 O1H0u 0.660 1.420 2.629 15.499 16.181 0.958 [OK] 277 51 A VAL CB 4 C4H1b 0.770 1.880 4.105 17.939 14.598 1.229 possible 278 51 A VAL CG1 10 C4H3u 0.770 1.880 6.737 71.042 36.584 1.942 possible 279 51 A VAL CG2 10 C4H3u 0.770 1.880 3.528 39.851 36.332 1.097 possible 280 52 A TYR N 12 N3H1s 0.700 1.640 3.862 14.715 13.691 1.075 possible 281 52 A TYR CA 3 C4H1s 0.770 1.880 3.646 13.495 13.330 1.012 possible 282 52 A TYR C 1 C3H0s 0.770 1.610 2.379 8.482 8.770 0.967 [OK] 283 52 A TYR O 16 O1H0u 0.660 1.420 2.708 18.027 16.124 1.118 [OK] 284 52 A TYR CB 8 C4H2s 0.770 1.880 5.266 35.005 23.678 1.478 possible 285 52 A TYR CG 2 C3H0b 0.770 1.610 4.816 14.849 9.732 1.526 possible 286 52 A TYR CD1 5 C3H1s 0.770 1.760 4.248 27.257 20.171 1.351 possible 287 52 A TYR CD2 5 C3H1s 0.770 1.760 5.085 21.906 20.728 1.057 possible 288 52 A TYR CE1 5 C3H1s 0.770 1.760 3.306 23.269 20.675 1.125 possible 289 52 A TYR CE2 5 C3H1s 0.770 1.760 6.362 37.824 20.810 1.818 possible 290 52 A TYR CZ 2 C3H0b 0.770 1.610 4.263 13.365 9.926 1.347 possible 291 52 A TYR OH 17 O2H1u 0.660 1.460 4.040 23.732 19.173 1.238 possible 292 53 A MET N 12 N3H1s 0.700 1.640 2.632 13.086 13.564 0.965 [OK] 293 53 A MET CA 3 C4H1s 0.770 1.880 2.670 13.463 13.231 1.018 [OK] 294 53 A MET C 1 C3H0s 0.770 1.610 2.981 8.655 8.782 0.985 [OK] 295 53 A MET O 16 O1H0u 0.660 1.420 2.733 15.427 16.277 0.948 [OK] 296 53 A MET CB 8 C4H2s 0.770 1.880 3.271 25.117 23.645 1.062 possible 297 53 A MET CG 9 C4H2b 0.770 1.880 3.052 24.766 24.009 1.032 possible 298 53 A MET SD 19 S2H0u 1.040 1.770 3.102 31.089 30.093 1.033 possible 299 53 A MET CE 10 C4H3u 0.770 1.880 3.050 35.294 37.161 0.950 possible 300 54 A ARG N 12 N3H1s 0.700 1.640 2.912 12.835 13.650 0.940 [OK] 301 54 A ARG CA 3 C4H1s 0.770 1.880 2.909 12.907 13.422 0.962 [OK] 302 54 A ARG C 1 C3H0s 0.770 1.610 2.417 9.059 8.838 1.025 [OK] 303 54 A ARG O 16 O1H0u 0.660 1.420 2.266 13.825 16.084 0.860 [OK] 304 54 A ARG CB 8 C4H2s 0.770 1.880 3.104 24.853 23.088 1.076 possible 305 54 A ARG CG 8 C4H2s 0.770 1.880 3.218 27.479 23.640 1.162 possible 306 54 A ARG CD 8 C4H2s 0.770 1.880 2.908 20.467 23.300 0.878 [OK] 307 54 A ARG NE 13 N3H1b 0.700 1.640 2.920 18.398 15.569 1.182 [OK] 308 54 A ARG CZ 2 C3H0b 0.770 1.610 2.324 9.113 9.747 0.935 [OK] 309 54 A ARG NH1 15 N3H2u 0.700 1.640 2.508 19.433 22.782 0.853 [OK] 310 54 A ARG NH2 15 N3H2u 0.700 1.640 2.842 25.545 23.810 1.073 [OK] 311 55 A MET N 12 N3H1s 0.700 1.640 2.469 12.284 13.564 0.906 [OK] 312 55 A MET CA 3 C4H1s 0.770 1.880 3.179 13.679 13.231 1.034 possible 313 55 A MET C 1 C3H0s 0.770 1.610 2.180 8.457 8.782 0.963 [OK] 314 55 A MET O 16 O1H0u 0.660 1.420 3.050 23.138 16.277 1.422 possible 315 55 A MET CB 8 C4H2s 0.770 1.880 3.315 24.601 23.645 1.040 possible 316 55 A MET CG 9 C4H2b 0.770 1.880 3.094 24.408 24.009 1.017 possible 317 55 A MET SD 19 S2H0u 1.040 1.770 5.013 45.589 30.093 1.515 possible 318 55 A MET CE 10 C4H3u 0.770 1.880 5.172 60.292 37.161 1.622 possible 319 56 A GLU N 12 N3H1s 0.700 1.640 2.824 14.137 13.615 1.038 [OK] 320 56 A GLU CA 3 C4H1s 0.770 1.880 2.734 12.728 13.399 0.950 [OK] 321 56 A GLU C 1 C3H0s 0.770 1.610 2.669 8.546 8.675 0.985 [OK] 322 56 A GLU O 16 O1H0u 0.660 1.420 2.519 13.697 16.023 0.855 [OK] 323 56 A GLU CB 8 C4H2s 0.770 1.880 3.222 26.203 23.529 1.114 possible 324 56 A GLU CG 8 C4H2s 0.770 1.880 2.851 26.296 23.513 1.118 [OK] 325 56 A GLU CD 2 C3H0b 0.770 1.610 2.721 9.564 9.460 1.011 [OK] 326 56 A GLU OE1 16 O1H0u 0.660 1.420 2.409 15.817 15.999 0.989 [OK] 327 56 A GLU OE2 16 O1H0u 0.660 1.420 2.554 12.197 17.432 0.700 [OK] 328 57 A LEU N 12 N3H1s 0.700 1.640 2.676 13.695 13.655 1.003 [OK] 329 57 A LEU CA 3 C4H1s 0.770 1.880 2.903 12.937 13.122 0.986 [OK] 330 57 A LEU C 1 C3H0s 0.770 1.610 2.587 8.861 8.825 1.004 [OK] 331 57 A LEU O 16 O1H0u 0.660 1.420 2.409 13.526 16.208 0.835 [OK] 332 57 A LEU CB 8 C4H2s 0.770 1.880 2.740 21.854 22.951 0.952 [OK] 333 57 A LEU CG 4 C4H1b 0.770 1.880 2.684 12.270 14.764 0.831 [OK] 334 57 A LEU CD1 10 C4H3u 0.770 1.880 3.216 34.723 37.425 0.928 possible 335 57 A LEU CD2 10 C4H3u 0.770 1.880 3.163 39.232 37.143 1.056 possible 336 58 A GLN N 12 N3H1s 0.700 1.640 2.389 13.372 13.616 0.982 [OK] 337 58 A GLN CA 3 C4H1s 0.770 1.880 2.469 12.699 13.334 0.952 [OK] 338 58 A GLN C 1 C3H0s 0.770 1.610 2.387 8.158 8.787 0.928 [OK] 339 58 A GLN O 16 O1H0u 0.660 1.420 3.100 20.013 15.993 1.251 possible 340 58 A GLN CB 8 C4H2s 0.770 1.880 2.927 20.675 23.275 0.888 [OK] 341 58 A GLN CG 8 C4H2s 0.770 1.880 2.865 22.389 23.465 0.954 [OK] 342 58 A GLN CD 2 C3H0b 0.770 1.610 2.620 9.691 9.659 1.003 [OK] 343 58 A GLN OE1 16 O1H0u 0.660 1.420 2.975 23.010 17.091 1.346 [OK] 344 58 A GLN NE2 15 N3H2u 0.700 1.640 5.776 53.425 24.150 2.212 possible 345 59 A HIS N 12 N3H1s 0.700 1.640 3.041 15.627 13.715 1.139 possible 346 59 A HIS CA 3 C4H1s 0.770 1.880 3.044 12.252 13.467 0.910 possible 347 59 A HIS C 1 C3H0s 0.770 1.610 2.301 8.692 8.882 0.979 [OK] 348 59 A HIS O 16 O1H0u 0.660 1.420 2.350 13.056 16.082 0.812 [OK] 349 59 A HIS CB 8 C4H2s 0.770 1.880 7.583 48.590 23.653 2.054 possible 350 59 A HIS CG 2 C3H0b 0.770 1.610 7.611 19.117 9.952 1.921 possible 351 59 A HIS ND1 13 N3H1b 0.700 1.640 6.152 35.567 15.506 2.294 possible 352 59 A HIS CD2 5 C3H1s 0.770 1.760 25.833 -1.000 21.085 -1.000 bad 353 59 A HIS CE1 5 C3H1s 0.770 1.760 6.362 33.520 20.636 1.624 possible 354 59 A HIS NE2 13 N3H1b 0.700 1.640 21.813 -1.000 15.337 -1.000 bad 355 60 A PRO N 11 N3H0u 0.700 1.640 2.513 8.117 8.823 0.920 [OK] 356 60 A PRO CA 4 C4H1b 0.770 1.880 2.822 15.154 13.955 1.086 [OK] 357 60 A PRO C 1 C3H0s 0.770 1.610 3.808 9.052 8.812 1.027 possible 358 60 A PRO O 16 O1H0u 0.660 1.420 12.794 -1.000 16.169 -1.000 bad 359 60 A PRO CB 9 C4H2b 0.770 1.880 4.147 31.155 25.563 1.219 possible 360 60 A PRO CG 9 C4H2b 0.770 1.880 15.871 -1.000 25.832 -1.000 bad 361 60 A PRO CD 8 C4H2s 0.770 1.880 5.023 33.710 23.836 1.414 possible 362 61 A GLY N 12 N3H1s 0.700 1.640 4.181 17.578 14.854 1.183 possible 363 61 A GLY CA 8 C4H2s 0.770 1.880 7.051 79.305 23.688 3.348 possible 364 61 A GLY C 2 C3H0b 0.770 1.610 3.679 11.143 9.840 1.132 possible 365 61 A GLY O 16 O1H0u 0.660 1.420 2.226 10.482 16.391 0.639 [OK] 366 62 A VAL N 12 N3H1s 0.700 1.640 5.043 26.764 13.676 1.957 possible 367 62 A VAL CA 3 C4H1s 0.770 1.880 2.967 12.759 13.123 0.972 [OK] 368 62 A VAL C 1 C3H0s 0.770 1.610 2.527 8.524 8.563 0.995 [OK] 369 62 A VAL O 16 O1H0u 0.660 1.420 7.157 47.039 16.181 2.907 possible 370 62 A VAL CB 4 C4H1b 0.770 1.880 3.478 16.055 14.598 1.100 possible 371 62 A VAL CG1 10 C4H3u 0.770 1.880 2.830 32.545 36.584 0.890 [OK] 372 62 A VAL CG2 10 C4H3u 0.770 1.880 3.796 33.600 36.332 0.925 possible 373 63 A GLN N 12 N3H1s 0.700 1.640 2.380 12.643 13.616 0.929 [OK] 374 63 A GLN CA 3 C4H1s 0.770 1.880 3.506 14.669 13.334 1.100 possible 375 63 A GLN C 1 C3H0s 0.770 1.610 2.351 9.503 8.787 1.082 [OK] 376 63 A GLN O 16 O1H0u 0.660 1.420 2.475 17.948 15.993 1.122 [OK] 377 63 A GLN CB 8 C4H2s 0.770 1.880 5.479 51.571 23.275 2.216 possible 378 63 A GLN CG 8 C4H2s 0.770 1.880 5.300 39.084 23.465 1.666 possible 379 63 A GLN CD 2 C3H0b 0.770 1.610 3.222 10.423 9.659 1.079 possible 380 63 A GLN OE1 16 O1H0u 0.660 1.420 2.983 15.074 17.091 0.882 [OK] 381 63 A GLN NE2 15 N3H2u 0.700 1.640 15.734 -1.000 24.150 -1.000 bad 382 64 A TYR N 12 N3H1s 0.700 1.640 2.482 13.624 13.691 0.995 [OK] 383 64 A TYR CA 3 C4H1s 0.770 1.880 2.777 14.064 13.330 1.055 [OK] 384 64 A TYR C 1 C3H0s 0.770 1.610 2.435 8.908 8.770 1.016 [OK] 385 64 A TYR O 16 O1H0u 0.660 1.420 2.388 16.653 16.124 1.033 [OK] 386 64 A TYR CB 8 C4H2s 0.770 1.880 3.353 26.012 23.678 1.099 possible 387 64 A TYR CG 2 C3H0b 0.770 1.610 2.979 10.885 9.732 1.118 [OK] 388 64 A TYR CD1 5 C3H1s 0.770 1.760 2.929 23.366 20.171 1.158 [OK] 389 64 A TYR CD2 5 C3H1s 0.770 1.760 3.042 20.562 20.728 0.992 possible 390 64 A TYR CE1 5 C3H1s 0.770 1.760 2.853 19.997 20.675 0.967 [OK] 391 64 A TYR CE2 5 C3H1s 0.770 1.760 3.487 23.467 20.810 1.128 possible 392 64 A TYR CZ 2 C3H0b 0.770 1.610 2.608 10.008 9.926 1.008 [OK] 393 64 A TYR OH 17 O2H1u 0.660 1.460 3.402 33.200 19.173 1.732 possible 394 65 A MET N 12 N3H1s 0.700 1.640 2.500 13.395 13.564 0.988 [OK] 395 65 A MET CA 3 C4H1s 0.770 1.880 3.015 14.507 13.231 1.096 possible 396 65 A MET C 1 C3H0s 0.770 1.610 2.747 10.068 8.782 1.146 [OK] 397 65 A MET O 16 O1H0u 0.660 1.420 2.309 13.834 16.277 0.850 [OK] 398 65 A MET CB 8 C4H2s 0.770 1.880 2.818 23.198 23.645 0.981 [OK] 399 65 A MET CG 9 C4H2b 0.770 1.880 3.019 23.780 24.009 0.990 possible 400 65 A MET SD 19 S2H0u 1.040 1.770 2.762 27.274 30.093 0.906 [OK] 401 65 A MET CE 10 C4H3u 0.770 1.880 3.263 38.478 37.161 1.035 possible 402 66 A CYS N 12 N3H1s 0.700 1.640 2.659 13.805 13.981 0.987 [OK] 403 66 A CYS CA 3 C4H1s 0.770 1.880 2.660 12.327 13.656 0.903 [OK] 404 66 A CYS C 1 C3H0s 0.770 1.610 2.237 8.279 8.897 0.931 [OK] 405 66 A CYS O 16 O1H0u 0.660 1.420 3.236 21.420 16.543 1.295 possible 406 66 A CYS CB 9 C4H2b 0.770 1.880 2.996 23.311 23.536 0.990 [OK] 407 66 A CYS SG 20 S2H1u 1.040 1.770 2.694 25.997 3.133 8.298 [OK] 408 67 A LEU N 12 N3H1s 0.700 1.640 2.418 12.365 13.655 0.906 [OK] 409 67 A LEU CA 3 C4H1s 0.770 1.880 2.745 11.979 13.122 0.913 [OK] 410 67 A LEU C 1 C3H0s 0.770 1.610 3.781 9.714 8.825 1.101 possible 411 67 A LEU O 16 O1H0u 0.660 1.420 24.750 -1.000 16.208 -1.000 bad 412 67 A LEU CB 8 C4H2s 0.770 1.880 3.607 22.925 22.951 0.999 possible 413 67 A LEU CG 4 C4H1b 0.770 1.880 11.053 -1.000 14.764 -1.000 bad 414 67 A LEU CD1 10 C4H3u 0.770 1.880 6.253 64.846 37.425 1.733 possible 415 67 A LEU CD2 10 C4H3u 0.770 1.880 39.821 -1.000 37.143 -1.000 bad 416 68 A GLU N 12 N3H1s 0.700 1.640 3.355 12.067 13.615 0.886 possible 417 68 A GLU CA 3 C4H1s 0.770 1.880 12.913 -1.000 13.399 -1.000 bad 418 68 A GLU C 1 C3H0s 0.770 1.610 5.062 14.136 8.675 1.629 possible 419 68 A GLU O 16 O1H0u 0.660 1.420 32.467 -1.000 16.023 -1.000 bad 420 68 A GLU CB 8 C4H2s 0.770 1.880 28.660 -1.000 23.529 -1.000 bad 421 68 A GLU CG 8 C4H2s 0.770 1.880 4.918 33.546 23.513 1.427 possible 422 68 A GLU CD 2 C3H0b 0.770 1.610 5.807 13.594 9.460 1.437 possible 423 68 A GLU OE1 16 O1H0u 0.660 1.420 9.888 -1.000 15.999 -1.000 bad 424 68 A GLU OE2 16 O1H0u 0.660 1.420 4.621 20.445 17.432 1.173 possible 425 69 A GLY N 12 N3H1s 0.700 1.640 5.005 18.674 14.854 1.257 possible 426 69 A GLY CA 8 C4H2s 0.770 1.880 32.923 -1.000 23.688 -1.000 bad 427 69 A GLY C 2 C3H0b 0.770 1.610 4.130 11.523 9.840 1.171 possible 428 69 A GLY O 16 O1H0u 0.660 1.420 4.826 25.034 16.391 1.527 possible 429 70 A ALA N 12 N3H1s 0.700 1.640 5.709 -1.000 14.046 -1.000 bad 430 70 A ALA CA 4 C4H1b 0.770 1.880 3.010 14.766 14.063 1.050 possible 431 70 A ALA C 1 C3H0s 0.770 1.610 3.275 9.249 8.900 1.039 possible 432 70 A ALA O 16 O1H0u 0.660 1.420 29.591 -1.000 16.188 -1.000 bad 433 70 A ALA CB 10 C4H3u 0.770 1.880 29.857 -1.000 36.782 -1.000 bad 434 71 A ARG N 12 N3H1s 0.700 1.640 2.754 13.690 13.650 1.003 [OK] 435 71 A ARG CA 3 C4H1s 0.770 1.880 7.277 21.158 13.422 1.576 possible 436 71 A ARG C 1 C3H0s 0.770 1.610 3.482 11.062 8.838 1.252 possible 437 71 A ARG O 16 O1H0u 0.660 1.420 3.254 16.420 16.084 1.021 possible 438 71 A ARG CB 8 C4H2s 0.770 1.880 7.567 32.790 23.088 1.420 possible 439 71 A ARG CG 8 C4H2s 0.770 1.880 10.936 -1.000 23.640 -1.000 bad 440 71 A ARG CD 8 C4H2s 0.770 1.880 6.917 41.752 23.300 1.792 possible 441 71 A ARG NE 13 N3H1b 0.700 1.640 7.098 34.300 15.569 2.203 possible 442 71 A ARG CZ 2 C3H0b 0.770 1.610 3.925 10.876 9.747 1.116 possible 443 71 A ARG NH1 15 N3H2u 0.700 1.640 3.250 18.291 22.782 0.803 possible 444 71 A ARG NH2 15 N3H2u 0.700 1.640 4.971 32.357 23.810 1.359 possible 445 72 A LEU N 12 N3H1s 0.700 1.640 5.491 -1.000 13.655 -1.000 bad 446 72 A LEU CA 3 C4H1s 0.770 1.880 3.060 13.642 13.122 1.040 possible 447 72 A LEU C 1 C3H0s 0.770 1.610 2.381 8.907 8.825 1.009 [OK] 448 72 A LEU O 16 O1H0u 0.660 1.420 4.320 26.368 16.208 1.627 possible 449 72 A LEU CB 8 C4H2s 0.770 1.880 11.591 -1.000 22.951 -1.000 bad 450 72 A LEU CG 4 C4H1b 0.770 1.880 7.554 53.276 14.764 3.608 possible 451 72 A LEU CD1 10 C4H3u 0.770 1.880 66.040 -1.000 37.425 -1.000 bad 452 72 A LEU CD2 10 C4H3u 0.770 1.880 33.419 -1.000 37.143 -1.000 bad 453 73 A ILE N 12 N3H1s 0.700 1.640 4.332 16.906 13.633 1.240 possible 454 73 A ILE CA 3 C4H1s 0.770 1.880 3.681 13.419 13.007 1.032 possible 455 73 A ILE C 1 C3H0s 0.770 1.610 2.664 8.802 8.470 1.039 [OK] 456 73 A ILE O 16 O1H0u 0.660 1.420 6.792 35.421 16.144 2.194 possible 457 73 A ILE CB 4 C4H1b 0.770 1.880 9.915 -1.000 14.227 -1.000 bad 458 73 A ILE CG1 9 C4H2b 0.770 1.880 26.469 -1.000 24.187 -1.000 bad 459 73 A ILE CG2 10 C4H3u 0.770 1.880 44.904 -1.000 35.961 -1.000 bad 460 73 A ILE CD1 10 C4H3u 0.770 1.880 52.298 -1.000 38.377 -1.000 bad 461 74 A ALA N 12 N3H1s 0.700 1.640 3.614 21.051 14.046 1.499 possible 462 74 A ALA CA 4 C4H1b 0.770 1.880 2.933 14.475 14.063 1.029 [OK] 463 74 A ALA C 1 C3H0s 0.770 1.610 3.393 9.561 8.900 1.074 possible 464 74 A ALA O 16 O1H0u 0.660 1.420 18.499 -1.000 16.188 -1.000 bad 465 74 A ALA CB 10 C4H3u 0.770 1.880 5.708 70.174 36.782 1.908 possible 466 75 A ASP N 12 N3H1s 0.700 1.640 3.257 15.777 13.895 1.135 possible 467 75 A ASP CA 3 C4H1s 0.770 1.880 3.275 13.167 13.377 0.984 possible 468 75 A ASP C 1 C3H0s 0.770 1.610 3.637 10.330 8.816 1.172 possible 469 75 A ASP O 16 O1H0u 0.660 1.420 4.714 26.867 16.091 1.670 possible 470 75 A ASP CB 8 C4H2s 0.770 1.880 4.312 29.241 23.481 1.245 possible 471 75 A ASP CG 2 C3H0b 0.770 1.610 4.219 13.505 9.422 1.433 possible 472 75 A ASP OD1 16 O1H0u 0.660 1.420 22.372 -1.000 15.505 -1.000 bad 473 75 A ASP OD2 16 O1H0u 0.660 1.420 28.808 -1.000 16.324 -1.000 bad 474 76 A ALA N 12 N3H1s 0.700 1.640 5.083 29.677 14.046 2.113 possible 475 76 A ALA CA 4 C4H1b 0.770 1.880 7.197 34.375 14.063 2.444 possible 476 76 A ALA C 1 C3H0s 0.770 1.610 4.160 9.340 8.900 1.049 possible 477 76 A ALA O 16 O1H0u 0.660 1.420 26.893 -1.000 16.188 -1.000 bad 478 76 A ALA CB 10 C4H3u 0.770 1.880 68.911 -1.000 36.782 -1.000 bad 479 77 A SER N 12 N3H1s 0.700 1.640 4.569 20.132 14.103 1.427 possible 480 77 A SER CA 3 C4H1s 0.770 1.880 13.131 -1.000 13.476 -1.000 bad 481 77 A SER C 1 C3H0s 0.770 1.610 3.134 10.420 8.923 1.168 possible 482 77 A SER O 16 O1H0u 0.660 1.420 31.210 -1.000 16.179 -1.000 bad 483 77 A SER CB 8 C4H2s 0.770 1.880 45.737 -1.000 23.884 -1.000 bad 484 77 A SER OG 17 O2H1u 0.660 1.460 19.773 -1.000 18.732 -1.000 bad 485 78 A ALA N 12 N3H1s 0.700 1.640 2.797 14.613 14.046 1.040 [OK] 486 78 A ALA CA 4 C4H1b 0.770 1.880 5.135 -1.000 14.063 -1.000 bad 487 78 A ALA C 1 C3H0s 0.770 1.610 2.943 9.663 8.900 1.086 [OK] 488 78 A ALA O 16 O1H0u 0.660 1.420 4.203 21.549 16.188 1.331 possible 489 78 A ALA CB 10 C4H3u 0.770 1.880 24.891 -1.000 36.782 -1.000 bad 490 79 A GLU N 12 N3H1s 0.700 1.640 7.270 -1.000 13.615 -1.000 bad 491 79 A GLU CA 3 C4H1s 0.770 1.880 4.397 19.083 13.399 1.424 possible 492 79 A GLU C 1 C3H0s 0.770 1.610 2.125 7.673 8.675 0.884 [OK] 493 79 A GLU O 16 O1H0u 0.660 1.420 4.975 20.949 16.023 1.307 possible 494 79 A GLU CB 8 C4H2s 0.770 1.880 26.258 -1.000 23.529 -1.000 bad 495 79 A GLU CG 8 C4H2s 0.770 1.880 18.990 -1.000 23.513 -1.000 bad 496 79 A GLU CD 2 C3H0b 0.770 1.610 4.582 -1.000 9.460 -1.000 bad 497 79 A GLU OE1 16 O1H0u 0.660 1.420 35.399 -1.000 15.999 -1.000 bad 498 79 A GLU OE2 16 O1H0u 0.660 1.420 38.577 -1.000 17.432 -1.000 bad 499 80 A CYS N 12 N3H1s 0.700 1.640 5.806 31.702 13.981 2.267 possible 500 80 A CYS CA 3 C4H1s 0.770 1.880 2.528 12.243 13.656 0.897 [OK] 501 80 A CYS C 1 C3H0s 0.770 1.610 2.948 9.347 8.897 1.051 [OK] 502 80 A CYS O 16 O1H0u 0.660 1.420 5.300 45.341 16.543 2.741 possible 503 80 A CYS CB 9 C4H2b 0.770 1.880 5.340 35.538 23.536 1.510 possible 504 80 A CYS SG 20 S2H1u 1.040 1.770 2.702 26.347 3.133 8.410 [OK] 505 81 A THR N 12 N3H1s 0.700 1.640 2.807 14.216 13.832 1.028 [OK] 506 81 A THR CA 3 C4H1s 0.770 1.880 4.035 14.386 13.099 1.098 possible 507 81 A THR C 1 C3H0s 0.770 1.610 2.504 8.654 8.738 0.990 [OK] 508 81 A THR O 16 O1H0u 0.660 1.420 2.241 13.955 16.020 0.871 [OK] 509 81 A THR CB 4 C4H1b 0.770 1.880 3.507 13.255 14.829 0.894 possible 510 81 A THR OG1 17 O2H1u 0.660 1.460 15.445 -1.000 18.123 -1.000 bad 511 81 A THR CG2 10 C4H3u 0.770 1.880 32.872 -1.000 36.542 -1.000 bad 512 82 A PRO N 11 N3H0u 0.700 1.640 2.581 9.028 8.823 1.023 [OK] 513 82 A PRO CA 4 C4H1b 0.770 1.880 2.534 12.503 13.955 0.896 [OK] 514 82 A PRO C 1 C3H0s 0.770 1.610 2.691 8.813 8.812 1.000 [OK] 515 82 A PRO O 16 O1H0u 0.660 1.420 4.024 30.074 16.169 1.860 possible 516 82 A PRO CB 9 C4H2b 0.770 1.880 3.399 24.807 25.563 0.970 possible 517 82 A PRO CG 9 C4H2b 0.770 1.880 6.397 75.774 25.832 2.933 possible 518 82 A PRO CD 8 C4H2s 0.770 1.880 5.088 58.542 23.836 2.456 possible 519 83 A ASN N 12 N3H1s 0.700 1.640 2.662 14.167 13.695 1.034 [OK] 520 83 A ASN CA 3 C4H1s 0.770 1.880 2.903 14.037 13.167 1.066 [OK] 521 83 A ASN C 1 C3H0s 0.770 1.610 2.218 8.331 8.928 0.933 [OK] 522 83 A ASN O 16 O1H0u 0.660 1.420 2.338 15.307 16.199 0.945 [OK] 523 83 A ASN CB 8 C4H2s 0.770 1.880 2.858 20.176 23.128 0.872 [OK] 524 83 A ASN CG 2 C3H0b 0.770 1.610 2.200 8.888 9.599 0.926 [OK] 525 83 A ASN OD1 16 O1H0u 0.660 1.420 2.372 15.861 16.664 0.952 [OK] 526 83 A ASN ND2 15 N3H2u 0.700 1.640 4.341 40.295 23.083 1.746 possible 527 84 A GLY N 12 N3H1s 0.700 1.640 3.200 20.116 14.854 1.354 possible 528 84 A GLY CA 8 C4H2s 0.770 1.880 3.701 26.534 23.688 1.120 possible 529 84 A GLY C 2 C3H0b 0.770 1.610 2.720 9.259 9.840 0.941 [OK] 530 84 A GLY O 16 O1H0u 0.660 1.420 2.863 16.337 16.391 0.997 [OK] 531 85 A HIS N 12 N3H1s 0.700 1.640 2.573 13.252 13.715 0.966 [OK] 532 85 A HIS CA 3 C4H1s 0.770 1.880 3.307 16.389 13.467 1.217 possible 533 85 A HIS C 1 C3H0s 0.770 1.610 2.347 8.032 8.882 0.904 [OK] 534 85 A HIS O 16 O1H0u 0.660 1.420 2.516 14.590 16.082 0.907 [OK] 535 85 A HIS CB 8 C4H2s 0.770 1.880 3.013 24.351 23.653 1.030 possible 536 85 A HIS CG 2 C3H0b 0.770 1.610 2.710 10.799 9.952 1.085 [OK] 537 85 A HIS ND1 13 N3H1b 0.700 1.640 3.653 28.213 15.506 1.819 possible 538 85 A HIS CD2 5 C3H1s 0.770 1.760 3.370 21.881 21.085 1.038 possible 539 85 A HIS CE1 5 C3H1s 0.770 1.760 2.987 21.475 20.636 1.041 [OK] 540 85 A HIS NE2 13 N3H1b 0.700 1.640 2.588 14.856 15.337 0.969 [OK] 541 86 A LEU N 12 N3H1s 0.700 1.640 2.683 14.462 13.655 1.059 [OK] 542 86 A LEU CA 3 C4H1s 0.770 1.880 3.276 14.570 13.122 1.110 possible 543 86 A LEU C 1 C3H0s 0.770 1.610 2.246 7.867 8.825 0.891 [OK] 544 86 A LEU O 16 O1H0u 0.660 1.420 2.515 13.821 16.208 0.853 [OK] 545 86 A LEU CB 8 C4H2s 0.770 1.880 3.025 22.764 22.951 0.992 possible 546 86 A LEU CG 4 C4H1b 0.770 1.880 2.987 14.662 14.764 0.993 [OK] 547 86 A LEU CD1 10 C4H3u 0.770 1.880 7.281 100.176 37.425 2.677 possible 548 86 A LEU CD2 10 C4H3u 0.770 1.880 4.420 45.728 37.143 1.231 possible 549 87 A TRP N 12 N3H1s 0.700 1.640 2.571 13.722 13.791 0.995 [OK] 550 87 A TRP CA 3 C4H1s 0.770 1.880 2.823 13.449 13.377 1.005 [OK] 551 87 A TRP C 1 C3H0s 0.770 1.610 2.122 7.364 8.724 0.844 [OK] 552 87 A TRP O 16 O1H0u 0.660 1.420 2.605 14.417 15.951 0.904 [OK] 553 87 A TRP CB 8 C4H2s 0.770 1.880 3.298 22.663 24.004 0.944 possible 554 87 A TRP CG 2 C3H0b 0.770 1.610 2.516 8.848 9.965 0.888 [OK] 555 87 A TRP CD1 5 C3H1s 0.770 1.760 3.321 24.515 20.874 1.174 possible 556 87 A TRP CD2 2 C3H0b 0.770 1.610 2.732 10.546 10.097 1.044 [OK] 557 87 A TRP NE1 13 N3H1b 0.700 1.640 2.542 16.051 16.969 0.946 [OK] 558 87 A TRP CE2 2 C3H0b 0.770 1.610 2.656 9.765 9.889 0.987 [OK] 559 87 A TRP CE3 6 C3H1b 0.770 1.760 2.823 20.607 20.448 1.008 [OK] 560 87 A TRP CZ2 6 C3H1b 0.770 1.760 2.891 20.975 21.012 0.998 [OK] 561 87 A TRP CZ3 6 C3H1b 0.770 1.760 2.837 19.764 21.516 0.919 [OK] 562 87 A TRP CH2 6 C3H1b 0.770 1.760 2.935 17.746 21.339 0.832 [OK] 563 88 A ASN N 12 N3H1s 0.700 1.640 2.171 11.818 13.695 0.863 [OK] 564 88 A ASN CA 3 C4H1s 0.770 1.880 3.023 14.541 13.167 1.104 possible 565 88 A ASN C 1 C3H0s 0.770 1.610 2.056 7.752 8.928 0.868 [OK] 566 88 A ASN O 16 O1H0u 0.660 1.420 2.610 14.319 16.199 0.884 [OK] 567 88 A ASN CB 8 C4H2s 0.770 1.880 3.197 23.699 23.128 1.025 possible 568 88 A ASN CG 2 C3H0b 0.770 1.610 2.746 9.854 9.599 1.027 [OK] 569 88 A ASN OD1 16 O1H0u 0.660 1.420 3.403 27.546 16.664 1.653 possible 570 88 A ASN ND2 15 N3H2u 0.700 1.640 3.793 34.597 23.083 1.499 possible 571 89 A VAL N 12 N3H1s 0.700 1.640 2.483 11.927 13.676 0.872 [OK] 572 89 A VAL CA 3 C4H1s 0.770 1.880 2.461 11.884 13.123 0.906 [OK] 573 89 A VAL C 1 C3H0s 0.770 1.610 2.599 7.882 8.563 0.921 [OK] 574 89 A VAL O 16 O1H0u 0.660 1.420 2.810 14.186 16.181 0.877 [OK] 575 89 A VAL CB 4 C4H1b 0.770 1.880 3.139 14.071 14.598 0.964 possible 576 89 A VAL CG1 10 C4H3u 0.770 1.880 4.156 46.714 36.584 1.277 possible 577 89 A VAL CG2 10 C4H3u 0.770 1.880 3.344 31.468 36.332 0.866 possible 578 90 A MET N 12 N3H1s 0.700 1.640 2.643 12.574 13.564 0.927 [OK] 579 90 A MET CA 3 C4H1s 0.770 1.880 3.310 15.016 13.231 1.135 possible 580 90 A MET C 1 C3H0s 0.770 1.610 2.495 8.353 8.782 0.951 [OK] 581 90 A MET O 16 O1H0u 0.660 1.420 2.466 15.522 16.277 0.954 [OK] 582 90 A MET CB 8 C4H2s 0.770 1.880 3.065 24.668 23.645 1.043 possible 583 90 A MET CG 9 C4H2b 0.770 1.880 2.897 22.607 24.009 0.942 [OK] 584 90 A MET SD 19 S2H0u 1.040 1.770 5.757 48.472 30.093 1.611 possible 585 90 A MET CE 10 C4H3u 0.770 1.880 7.363 72.762 37.161 1.958 possible 586 91 A ILE N 12 N3H1s 0.700 1.640 2.432 12.566 13.633 0.922 [OK] 587 91 A ILE CA 3 C4H1s 0.770 1.880 2.983 13.312 13.007 1.023 [OK] 588 91 A ILE C 1 C3H0s 0.770 1.610 2.493 8.073 8.470 0.953 [OK] 589 91 A ILE O 16 O1H0u 0.660 1.420 2.550 16.471 16.144 1.020 [OK] 590 91 A ILE CB 4 C4H1b 0.770 1.880 2.951 16.100 14.227 1.132 [OK] 591 91 A ILE CG1 9 C4H2b 0.770 1.880 2.890 20.395 24.187 0.843 [OK] 592 91 A ILE CG2 10 C4H3u 0.770 1.880 3.049 28.286 35.961 0.787 possible 593 91 A ILE CD1 10 C4H3u 0.770 1.880 3.279 39.901 38.377 1.040 possible 594 92 A THR N 12 N3H1s 0.700 1.640 2.622 11.796 13.832 0.853 [OK] 595 92 A THR CA 3 C4H1s 0.770 1.880 2.890 14.429 13.099 1.102 [OK] 596 92 A THR C 1 C3H0s 0.770 1.610 2.639 7.848 8.738 0.898 [OK] 597 92 A THR O 16 O1H0u 0.660 1.420 2.573 13.922 16.020 0.869 [OK] 598 92 A THR CB 4 C4H1b 0.770 1.880 2.596 14.048 14.829 0.947 [OK] 599 92 A THR OG1 17 O2H1u 0.660 1.460 2.706 17.581 18.123 0.970 [OK] 600 92 A THR CG2 10 C4H3u 0.770 1.880 3.571 45.193 36.542 1.237 possible 601 93 A TYR N 12 N3H1s 0.700 1.640 2.614 11.844 13.691 0.865 [OK] 602 93 A TYR CA 3 C4H1s 0.770 1.880 2.905 12.804 13.330 0.961 [OK] 603 93 A TYR C 1 C3H0s 0.770 1.610 2.257 8.304 8.770 0.947 [OK] 604 93 A TYR O 16 O1H0u 0.660 1.420 2.619 14.690 16.124 0.911 [OK] 605 93 A TYR CB 8 C4H2s 0.770 1.880 3.549 26.113 23.678 1.103 possible 606 93 A TYR CG 2 C3H0b 0.770 1.610 2.692 9.153 9.732 0.941 [OK] 607 93 A TYR CD1 5 C3H1s 0.770 1.760 3.574 29.716 20.171 1.473 possible 608 93 A TYR CD2 5 C3H1s 0.770 1.760 2.684 16.531 20.728 0.798 [OK] 609 93 A TYR CE1 5 C3H1s 0.770 1.760 3.437 27.219 20.675 1.317 possible 610 93 A TYR CE2 5 C3H1s 0.770 1.760 2.777 20.187 20.810 0.970 [OK] 611 93 A TYR CZ 2 C3H0b 0.770 1.610 3.281 10.732 9.926 1.081 possible 612 93 A TYR OH 17 O2H1u 0.660 1.460 3.112 20.861 19.173 1.088 possible 613 94 A HIS N 12 N3H1s 0.700 1.640 2.277 11.796 13.715 0.860 [OK] 614 94 A HIS CA 3 C4H1s 0.770 1.880 2.770 13.519 13.467 1.004 [OK] 615 94 A HIS C 1 C3H0s 0.770 1.610 2.392 7.618 8.882 0.858 [OK] 616 94 A HIS O 16 O1H0u 0.660 1.420 2.382 13.534 16.082 0.842 [OK] 617 94 A HIS CB 8 C4H2s 0.770 1.880 2.787 22.129 23.653 0.936 [OK] 618 94 A HIS CG 2 C3H0b 0.770 1.610 2.595 9.877 9.952 0.992 [OK] 619 94 A HIS ND1 13 N3H1b 0.700 1.640 2.613 15.630 15.506 1.008 [OK] 620 94 A HIS CD2 5 C3H1s 0.770 1.760 2.867 21.971 21.085 1.042 [OK] 621 94 A HIS CE1 5 C3H1s 0.770 1.760 2.993 17.596 20.636 0.853 [OK] 622 94 A HIS NE2 13 N3H1b 0.700 1.640 2.687 10.970 15.337 0.715 [OK] 623 95 A GLY N 12 N3H1s 0.700 1.640 2.492 13.124 14.854 0.884 [OK] 624 95 A GLY CA 8 C4H2s 0.770 1.880 2.820 23.428 23.688 0.989 [OK] 625 95 A GLY C 2 C3H0b 0.770 1.610 2.277 8.488 9.840 0.863 [OK] 626 95 A GLY O 16 O1H0u 0.660 1.420 2.335 15.149 16.391 0.924 [OK] 627 96 A VAL N 12 N3H1s 0.700 1.640 2.248 11.895 13.676 0.870 [OK] 628 96 A VAL CA 3 C4H1s 0.770 1.880 2.817 12.991 13.123 0.990 [OK] 629 96 A VAL C 1 C3H0s 0.770 1.610 2.408 7.995 8.563 0.934 [OK] 630 96 A VAL O 16 O1H0u 0.660 1.420 2.214 14.265 16.181 0.882 [OK] 631 96 A VAL CB 4 C4H1b 0.770 1.880 3.047 15.634 14.598 1.071 possible 632 96 A VAL CG1 10 C4H3u 0.770 1.880 3.563 51.310 36.584 1.403 possible 633 96 A VAL CG2 10 C4H3u 0.770 1.880 3.574 44.073 36.332 1.213 possible 634 97 A LEU N 12 N3H1s 0.700 1.640 2.686 12.853 13.655 0.941 [OK] 635 97 A LEU CA 3 C4H1s 0.770 1.880 2.612 12.658 13.122 0.965 [OK] 636 97 A LEU C 1 C3H0s 0.770 1.610 2.473 8.178 8.825 0.927 [OK] 637 97 A LEU O 16 O1H0u 0.660 1.420 2.197 13.787 16.208 0.851 [OK] 638 97 A LEU CB 8 C4H2s 0.770 1.880 2.752 20.178 22.951 0.879 [OK] 639 97 A LEU CG 4 C4H1b 0.770 1.880 3.261 13.911 14.764 0.942 possible 640 97 A LEU CD1 10 C4H3u 0.770 1.880 3.733 40.809 37.425 1.090 possible 641 97 A LEU CD2 10 C4H3u 0.770 1.880 3.720 57.276 37.143 1.542 possible 642 98 A MET N 12 N3H1s 0.700 1.640 2.517 13.319 13.564 0.982 [OK] 643 98 A MET CA 3 C4H1s 0.770 1.880 2.735 12.146 13.231 0.918 [OK] 644 98 A MET C 1 C3H0s 0.770 1.610 2.531 8.468 8.782 0.964 [OK] 645 98 A MET O 16 O1H0u 0.660 1.420 2.684 18.483 16.277 1.136 [OK] 646 98 A MET CB 8 C4H2s 0.770 1.880 2.759 21.599 23.645 0.913 [OK] 647 98 A MET CG 9 C4H2b 0.770 1.880 2.825 20.171 24.009 0.840 [OK] 648 98 A MET SD 19 S2H0u 1.040 1.770 2.892 28.283 30.093 0.940 [OK] 649 98 A MET CE 10 C4H3u 0.770 1.880 3.129 35.761 37.161 0.962 possible 650 99 A MET N 12 N3H1s 0.700 1.640 2.397 12.588 13.564 0.928 [OK] 651 99 A MET CA 3 C4H1s 0.770 1.880 3.058 14.052 13.231 1.062 possible 652 99 A MET C 1 C3H0s 0.770 1.610 2.389 8.356 8.782 0.952 [OK] 653 99 A MET O 16 O1H0u 0.660 1.420 3.201 19.993 16.277 1.228 possible 654 99 A MET CB 8 C4H2s 0.770 1.880 3.003 22.428 23.645 0.949 possible 655 99 A MET CG 9 C4H2b 0.770 1.880 2.737 18.780 24.009 0.782 [OK] 656 99 A MET SD 19 S2H0u 1.040 1.770 3.125 29.496 30.093 0.980 possible 657 99 A MET CE 10 C4H3u 0.770 1.880 3.185 37.741 37.161 1.016 possible 658 100 A PHE N 12 N3H1s 0.700 1.640 2.313 12.675 13.691 0.926 [OK] 659 100 A PHE CA 3 C4H1s 0.770 1.880 3.874 15.167 13.449 1.128 possible 660 100 A PHE C 1 C3H0s 0.770 1.610 2.234 8.466 8.753 0.967 [OK] 661 100 A PHE O 16 O1H0u 0.660 1.420 3.350 26.963 16.151 1.669 possible 662 100 A PHE CB 8 C4H2s 0.770 1.880 2.980 22.921 23.777 0.964 [OK] 663 100 A PHE CG 2 C3H0b 0.770 1.610 2.759 10.202 9.721 1.049 [OK] 664 100 A PHE CD1 5 C3H1s 0.770 1.760 4.010 36.412 20.405 1.784 possible 665 100 A PHE CD2 6 C3H1b 0.770 1.760 2.803 18.028 21.051 0.856 [OK] 666 100 A PHE CE1 6 C3H1b 0.770 1.760 3.413 27.367 21.580 1.268 possible 667 100 A PHE CE2 6 C3H1b 0.770 1.760 3.362 24.509 21.680 1.130 possible 668 100 A PHE CZ 6 C3H1b 0.770 1.760 3.757 34.920 21.666 1.612 possible 669 101 A PHE N 12 N3H1s 0.700 1.640 2.378 12.167 13.691 0.889 [OK] 670 101 A PHE CA 3 C4H1s 0.770 1.880 2.626 12.248 13.449 0.911 [OK] 671 101 A PHE C 1 C3H0s 0.770 1.610 2.362 8.876 8.753 1.014 [OK] 672 101 A PHE O 16 O1H0u 0.660 1.420 2.301 15.571 16.151 0.964 [OK] 673 101 A PHE CB 8 C4H2s 0.770 1.880 3.170 23.058 23.777 0.970 possible 674 101 A PHE CG 2 C3H0b 0.770 1.610 2.806 9.328 9.721 0.960 [OK] 675 101 A PHE CD1 5 C3H1s 0.770 1.760 3.113 22.964 20.405 1.125 possible 676 101 A PHE CD2 6 C3H1b 0.770 1.760 3.167 21.937 21.051 1.042 possible 677 101 A PHE CE1 6 C3H1b 0.770 1.760 3.151 20.341 21.580 0.943 possible 678 101 A PHE CE2 6 C3H1b 0.770 1.760 3.160 26.628 21.680 1.228 possible 679 101 A PHE CZ 6 C3H1b 0.770 1.760 2.962 21.664 21.666 1.000 [OK] 680 102 A VAL N 12 N3H1s 0.700 1.640 2.348 14.263 13.676 1.043 [OK] 681 102 A VAL CA 3 C4H1s 0.770 1.880 2.720 12.844 13.123 0.979 [OK] 682 102 A VAL C 1 C3H0s 0.770 1.610 2.482 7.926 8.563 0.926 [OK] 683 102 A VAL O 16 O1H0u 0.660 1.420 2.682 16.891 16.181 1.044 [OK] 684 102 A VAL CB 4 C4H1b 0.770 1.880 2.994 14.130 14.598 0.968 [OK] 685 102 A VAL CG1 10 C4H3u 0.770 1.880 3.189 36.630 36.584 1.001 possible 686 102 A VAL CG2 10 C4H3u 0.770 1.880 2.816 30.459 36.332 0.838 [OK] 687 103 A VAL N 12 N3H1s 0.700 1.640 2.800 14.268 13.676 1.043 [OK] 688 103 A VAL CA 3 C4H1s 0.770 1.880 3.158 13.718 13.123 1.045 possible 689 103 A VAL C 1 C3H0s 0.770 1.610 2.398 7.618 8.563 0.890 [OK] 690 103 A VAL O 16 O1H0u 0.660 1.420 2.559 16.294 16.181 1.007 [OK] 691 103 A VAL CB 4 C4H1b 0.770 1.880 3.233 16.963 14.598 1.162 possible 692 103 A VAL CG1 10 C4H3u 0.770 1.880 3.145 34.912 36.584 0.954 possible 693 103 A VAL CG2 10 C4H3u 0.770 1.880 3.200 42.919 36.332 1.181 possible 694 104 A ILE N 12 N3H1s 0.700 1.640 2.496 11.745 13.633 0.862 [OK] 695 104 A ILE CA 3 C4H1s 0.770 1.880 3.517 16.414 13.007 1.262 possible 696 104 A ILE C 1 C3H0s 0.770 1.610 2.885 8.093 8.470 0.955 [OK] 697 104 A ILE O 16 O1H0u 0.660 1.420 3.272 15.232 16.144 0.943 possible 698 104 A ILE CB 4 C4H1b 0.770 1.880 3.860 16.796 14.227 1.181 possible 699 104 A ILE CG1 9 C4H2b 0.770 1.880 3.202 24.263 24.187 1.003 possible 700 104 A ILE CG2 10 C4H3u 0.770 1.880 3.969 50.868 35.961 1.415 possible 701 104 A ILE CD1 10 C4H3u 0.770 1.880 4.212 53.454 38.377 1.393 possible 702 105 A PRO N 11 N3H0u 0.700 1.640 3.424 9.181 8.823 1.041 possible 703 105 A PRO CA 4 C4H1b 0.770 1.880 4.198 20.651 13.955 1.480 possible 704 105 A PRO C 1 C3H0s 0.770 1.610 2.775 9.061 8.812 1.028 [OK] 705 105 A PRO O 16 O1H0u 0.660 1.420 2.536 15.335 16.169 0.948 [OK] 706 105 A PRO CB 9 C4H2b 0.770 1.880 3.077 27.199 25.563 1.064 possible 707 105 A PRO CG 9 C4H2b 0.770 1.880 4.047 34.811 25.832 1.348 possible 708 105 A PRO CD 8 C4H2s 0.770 1.880 3.642 23.880 23.836 1.002 possible 709 106 A ALA N 12 N3H1s 0.700 1.640 2.772 13.360 14.046 0.951 [OK] 710 106 A ALA CA 4 C4H1b 0.770 1.880 2.947 15.250 14.063 1.084 [OK] 711 106 A ALA C 1 C3H0s 0.770 1.610 2.598 9.187 8.900 1.032 [OK] 712 106 A ALA O 16 O1H0u 0.660 1.420 2.517 16.062 16.188 0.992 [OK] 713 106 A ALA CB 10 C4H3u 0.770 1.880 3.164 39.247 36.782 1.067 possible 714 107 A LEU N 12 N3H1s 0.700 1.640 2.446 13.607 13.655 0.996 [OK] 715 107 A LEU CA 3 C4H1s 0.770 1.880 2.923 12.987 13.122 0.990 [OK] 716 107 A LEU C 1 C3H0s 0.770 1.610 2.524 9.260 8.825 1.049 [OK] 717 107 A LEU O 16 O1H0u 0.660 1.420 2.702 19.921 16.208 1.229 [OK] 718 107 A LEU CB 8 C4H2s 0.770 1.880 3.535 25.822 22.951 1.125 possible 719 107 A LEU CG 4 C4H1b 0.770 1.880 2.760 14.336 14.764 0.971 [OK] 720 107 A LEU CD1 10 C4H3u 0.770 1.880 3.285 39.894 37.425 1.066 possible 721 107 A LEU CD2 10 C4H3u 0.770 1.880 3.239 36.973 37.143 0.995 possible 722 108 A PHE N 12 N3H1s 0.700 1.640 3.266 14.770 13.691 1.079 possible 723 108 A PHE CA 3 C4H1s 0.770 1.880 2.966 15.675 13.449 1.165 [OK] 724 108 A PHE C 1 C3H0s 0.770 1.610 2.461 8.550 8.753 0.977 [OK] 725 108 A PHE O 16 O1H0u 0.660 1.420 3.081 21.125 16.151 1.308 possible 726 108 A PHE CB 8 C4H2s 0.770 1.880 3.654 25.899 23.777 1.089 possible 727 108 A PHE CG 2 C3H0b 0.770 1.610 2.880 10.742 9.721 1.105 [OK] 728 108 A PHE CD1 5 C3H1s 0.770 1.760 3.058 23.368 20.405 1.145 possible 729 108 A PHE CD2 6 C3H1b 0.770 1.760 4.055 36.373 21.051 1.728 possible 730 108 A PHE CE1 6 C3H1b 0.770 1.760 2.902 19.127 21.580 0.886 [OK] 731 108 A PHE CE2 6 C3H1b 0.770 1.760 3.537 23.641 21.680 1.090 possible 732 108 A PHE CZ 6 C3H1b 0.770 1.760 2.904 17.794 21.666 0.821 [OK] 733 109 A GLY N 12 N3H1s 0.700 1.640 3.897 17.808 14.854 1.199 possible 734 109 A GLY CA 8 C4H2s 0.770 1.880 3.954 29.906 23.688 1.262 possible 735 109 A GLY C 2 C3H0b 0.770 1.610 2.351 9.025 9.840 0.917 [OK] 736 109 A GLY O 16 O1H0u 0.660 1.420 2.272 13.451 16.391 0.821 [OK] 737 110 A GLY N 12 N3H1s 0.700 1.640 2.357 14.057 14.854 0.946 [OK] 738 110 A GLY CA 8 C4H2s 0.770 1.880 2.913 20.807 23.688 0.878 [OK] 739 110 A GLY C 2 C3H0b 0.770 1.610 3.124 10.243 9.840 1.041 possible 740 110 A GLY O 16 O1H0u 0.660 1.420 2.946 16.949 16.391 1.034 [OK] 741 111 A PHE N 12 N3H1s 0.700 1.640 3.143 15.032 13.691 1.098 possible 742 111 A PHE CA 3 C4H1s 0.770 1.880 3.423 15.266 13.449 1.135 possible 743 111 A PHE C 1 C3H0s 0.770 1.610 2.196 8.128 8.753 0.929 [OK] 744 111 A PHE O 16 O1H0u 0.660 1.420 2.427 15.330 16.151 0.949 [OK] 745 111 A PHE CB 8 C4H2s 0.770 1.880 3.127 23.813 23.777 1.001 possible 746 111 A PHE CG 2 C3H0b 0.770 1.610 2.472 9.651 9.721 0.993 [OK] 747 111 A PHE CD1 5 C3H1s 0.770 1.760 3.301 21.827 20.405 1.070 possible 748 111 A PHE CD2 6 C3H1b 0.770 1.760 2.819 19.394 21.051 0.921 [OK] 749 111 A PHE CE1 6 C3H1b 0.770 1.760 3.003 23.592 21.580 1.093 possible 750 111 A PHE CE2 6 C3H1b 0.770 1.760 2.960 24.553 21.680 1.133 [OK] 751 111 A PHE CZ 6 C3H1b 0.770 1.760 2.936 18.091 21.666 0.835 [OK] 752 112 A GLY N 12 N3H1s 0.700 1.640 2.419 13.357 14.854 0.899 [OK] 753 112 A GLY CA 8 C4H2s 0.770 1.880 2.958 24.127 23.688 1.019 [OK] 754 112 A GLY C 2 C3H0b 0.770 1.610 2.710 9.896 9.840 1.006 [OK] 755 112 A GLY O 16 O1H0u 0.660 1.420 2.585 17.540 16.391 1.070 [OK] 756 113 A ASN N 12 N3H1s 0.700 1.640 2.907 14.925 13.695 1.090 [OK] 757 113 A ASN CA 3 C4H1s 0.770 1.880 2.952 14.277 13.167 1.084 [OK] 758 113 A ASN C 1 C3H0s 0.770 1.610 2.351 8.590 8.928 0.962 [OK] 759 113 A ASN O 16 O1H0u 0.660 1.420 2.567 15.332 16.199 0.947 [OK] 760 113 A ASN CB 8 C4H2s 0.770 1.880 2.871 23.423 23.128 1.013 [OK] 761 113 A ASN CG 2 C3H0b 0.770 1.610 3.006 10.885 9.599 1.134 possible 762 113 A ASN OD1 16 O1H0u 0.660 1.420 3.022 27.433 16.664 1.646 possible 763 113 A ASN ND2 15 N3H2u 0.700 1.640 3.300 30.215 23.083 1.309 possible 764 114 A TYR N 12 N3H1s 0.700 1.640 2.537 14.154 13.691 1.034 [OK] 765 114 A TYR CA 3 C4H1s 0.770 1.880 2.766 14.059 13.330 1.055 [OK] 766 114 A TYR C 1 C3H0s 0.770 1.610 2.266 7.930 8.770 0.904 [OK] 767 114 A TYR O 16 O1H0u 0.660 1.420 2.450 15.871 16.124 0.984 [OK] 768 114 A TYR CB 8 C4H2s 0.770 1.880 3.446 28.230 23.678 1.192 possible 769 114 A TYR CG 2 C3H0b 0.770 1.610 2.581 10.455 9.732 1.074 [OK] 770 114 A TYR CD1 5 C3H1s 0.770 1.760 2.770 19.825 20.171 0.983 [OK] 771 114 A TYR CD2 5 C3H1s 0.770 1.760 3.328 22.265 20.728 1.074 possible 772 114 A TYR CE1 5 C3H1s 0.770 1.760 2.907 24.133 20.675 1.167 [OK] 773 114 A TYR CE2 5 C3H1s 0.770 1.760 3.395 22.110 20.810 1.062 possible 774 114 A TYR CZ 2 C3H0b 0.770 1.610 2.461 9.591 9.926 0.966 [OK] 775 114 A TYR OH 17 O2H1u 0.660 1.460 3.431 29.284 19.173 1.527 possible 776 115 A PHE N 12 N3H1s 0.700 1.640 2.324 12.903 13.691 0.942 [OK] 777 115 A PHE CA 3 C4H1s 0.770 1.880 2.694 12.301 13.449 0.915 [OK] 778 115 A PHE C 1 C3H0s 0.770 1.610 2.531 8.585 8.753 0.981 [OK] 779 115 A PHE O 16 O1H0u 0.660 1.420 2.379 13.858 16.151 0.858 [OK] 780 115 A PHE CB 8 C4H2s 0.770 1.880 2.744 22.744 23.777 0.957 [OK] 781 115 A PHE CG 2 C3H0b 0.770 1.610 2.320 9.072 9.721 0.933 [OK] 782 115 A PHE CD1 5 C3H1s 0.770 1.760 2.758 21.573 20.405 1.057 [OK] 783 115 A PHE CD2 6 C3H1b 0.770 1.760 2.829 19.439 21.051 0.923 [OK] 784 115 A PHE CE1 6 C3H1b 0.770 1.760 2.886 20.359 21.580 0.943 [OK] 785 115 A PHE CE2 6 C3H1b 0.770 1.760 3.122 20.402 21.680 0.941 possible 786 115 A PHE CZ 6 C3H1b 0.770 1.760 2.752 17.880 21.666 0.825 [OK] 787 116 A MET N 12 N3H1s 0.700 1.640 2.599 15.167 13.564 1.118 [OK] 788 116 A MET CA 3 C4H1s 0.770 1.880 2.982 15.889 13.231 1.201 [OK] 789 116 A MET C 1 C3H0s 0.770 1.610 2.308 7.572 8.782 0.862 [OK] 790 116 A MET O 16 O1H0u 0.660 1.420 2.340 15.440 16.277 0.949 [OK] 791 116 A MET CB 8 C4H2s 0.770 1.880 3.099 23.923 23.645 1.012 possible 792 116 A MET CG 9 C4H2b 0.770 1.880 3.017 26.593 24.009 1.108 possible 793 116 A MET SD 19 S2H0u 1.040 1.770 2.920 31.957 30.093 1.062 [OK] 794 116 A MET CE 10 C4H3u 0.770 1.880 3.017 33.378 37.161 0.898 possible 795 117 A PRO N 11 N3H0u 0.700 1.640 2.493 8.249 8.823 0.935 [OK] 796 117 A PRO CA 4 C4H1b 0.770 1.880 2.843 15.835 13.955 1.135 [OK] 797 117 A PRO C 1 C3H0s 0.770 1.610 2.583 8.800 8.812 0.999 [OK] 798 117 A PRO O 16 O1H0u 0.660 1.420 2.380 15.088 16.169 0.933 [OK] 799 117 A PRO CB 9 C4H2b 0.770 1.880 2.965 27.197 25.563 1.064 [OK] 800 117 A PRO CG 9 C4H2b 0.770 1.880 2.980 25.566 25.832 0.990 [OK] 801 117 A PRO CD 8 C4H2s 0.770 1.880 3.027 20.915 23.836 0.877 possible 802 118 A LEU N 12 N3H1s 0.700 1.640 2.661 13.356 13.655 0.978 [OK] 803 118 A LEU CA 3 C4H1s 0.770 1.880 2.901 13.083 13.122 0.997 [OK] 804 118 A LEU C 1 C3H0s 0.770 1.610 2.755 8.607 8.825 0.975 [OK] 805 118 A LEU O 16 O1H0u 0.660 1.420 2.580 16.403 16.208 1.012 [OK] 806 118 A LEU CB 8 C4H2s 0.770 1.880 3.010 26.070 22.951 1.136 possible 807 118 A LEU CG 4 C4H1b 0.770 1.880 2.890 15.119 14.764 1.024 [OK] 808 118 A LEU CD1 10 C4H3u 0.770 1.880 3.070 39.492 37.425 1.055 possible 809 118 A LEU CD2 10 C4H3u 0.770 1.880 3.052 39.103 37.143 1.053 possible 810 119 A HIS N 12 N3H1s 0.700 1.640 2.610 12.165 13.715 0.887 [OK] 811 119 A HIS CA 3 C4H1s 0.770 1.880 3.098 15.258 13.467 1.133 possible 812 119 A HIS C 1 C3H0s 0.770 1.610 2.476 8.688 8.882 0.978 [OK] 813 119 A HIS O 16 O1H0u 0.660 1.420 3.323 20.744 16.082 1.290 possible 814 119 A HIS CB 8 C4H2s 0.770 1.880 2.782 23.516 23.653 0.994 [OK] 815 119 A HIS CG 2 C3H0b 0.770 1.610 2.616 10.492 9.952 1.054 [OK] 816 119 A HIS ND1 13 N3H1b 0.700 1.640 2.713 19.896 15.506 1.283 [OK] 817 119 A HIS CD2 5 C3H1s 0.770 1.760 2.851 20.338 21.085 0.965 [OK] 818 119 A HIS CE1 5 C3H1s 0.770 1.760 2.869 20.932 20.636 1.014 [OK] 819 119 A HIS NE2 13 N3H1b 0.700 1.640 2.893 18.343 15.337 1.196 [OK] 820 120 A ILE N 12 N3H1s 0.700 1.640 2.354 12.145 13.633 0.891 [OK] 821 120 A ILE CA 3 C4H1s 0.770 1.880 2.683 12.248 13.007 0.942 [OK] 822 120 A ILE C 1 C3H0s 0.770 1.610 2.593 9.411 8.470 1.111 [OK] 823 120 A ILE O 16 O1H0u 0.660 1.420 2.395 15.415 16.144 0.955 [OK] 824 120 A ILE CB 4 C4H1b 0.770 1.880 2.533 12.357 14.227 0.869 [OK] 825 120 A ILE CG1 9 C4H2b 0.770 1.880 2.840 21.807 24.187 0.902 [OK] 826 120 A ILE CG2 10 C4H3u 0.770 1.880 2.988 39.773 35.961 1.106 [OK] 827 120 A ILE CD1 10 C4H3u 0.770 1.880 3.000 37.554 38.377 0.979 [OK] 828 121 A GLY N 12 N3H1s 0.700 1.640 2.679 15.052 14.854 1.013 [OK] 829 121 A GLY CA 8 C4H2s 0.770 1.880 4.064 25.482 23.688 1.076 possible 830 121 A GLY C 2 C3H0b 0.770 1.610 2.413 8.923 9.840 0.907 [OK] 831 121 A GLY O 16 O1H0u 0.660 1.420 4.876 38.630 16.391 2.357 possible 832 122 A ALA N 12 N3H1s 0.700 1.640 2.602 14.106 14.046 1.004 [OK] 833 122 A ALA CA 4 C4H1b 0.770 1.880 2.933 12.480 14.063 0.887 [OK] 834 122 A ALA C 1 C3H0s 0.770 1.610 2.563 9.204 8.900 1.034 [OK] 835 122 A ALA O 16 O1H0u 0.660 1.420 2.499 20.973 16.188 1.296 [OK] 836 122 A ALA CB 10 C4H3u 0.770 1.880 2.909 35.789 36.782 0.973 [OK] 837 123 A PRO N 11 N3H0u 0.700 1.640 2.567 8.709 8.823 0.987 [OK] 838 123 A PRO CA 4 C4H1b 0.770 1.880 2.803 13.659 13.955 0.979 [OK] 839 123 A PRO C 1 C3H0s 0.770 1.610 2.874 9.672 8.812 1.098 [OK] 840 123 A PRO O 16 O1H0u 0.660 1.420 3.285 27.144 16.169 1.679 possible 841 123 A PRO CB 9 C4H2b 0.770 1.880 5.506 49.815 25.563 1.949 possible 842 123 A PRO CG 9 C4H2b 0.770 1.880 25.667 -1.000 25.832 -1.000 bad 843 123 A PRO CD 8 C4H2s 0.770 1.880 11.362 -1.000 23.836 -1.000 bad 844 124 A ASP N 12 N3H1s 0.700 1.640 2.920 15.441 13.895 1.111 [OK] 845 124 A ASP CA 3 C4H1s 0.770 1.880 2.711 13.743 13.377 1.027 [OK] 846 124 A ASP C 1 C3H0s 0.770 1.610 2.772 10.020 8.816 1.137 [OK] 847 124 A ASP O 16 O1H0u 0.660 1.420 2.680 18.605 16.091 1.156 [OK] 848 124 A ASP CB 8 C4H2s 0.770 1.880 6.256 49.361 23.481 2.102 possible 849 124 A ASP CG 2 C3H0b 0.770 1.610 2.521 9.167 9.422 0.973 [OK] 850 124 A ASP OD1 16 O1H0u 0.660 1.420 2.455 16.390 15.505 1.057 [OK] 851 124 A ASP OD2 16 O1H0u 0.660 1.420 4.654 40.400 16.324 2.475 possible 852 125 A MET N 12 N3H1s 0.700 1.640 2.509 13.410 13.564 0.989 [OK] 853 125 A MET CA 3 C4H1s 0.770 1.880 2.767 12.701 13.231 0.960 [OK] 854 125 A MET C 1 C3H0s 0.770 1.610 2.414 8.964 8.782 1.021 [OK] 855 125 A MET O 16 O1H0u 0.660 1.420 5.009 23.761 16.277 1.460 possible 856 125 A MET CB 8 C4H2s 0.770 1.880 2.923 23.863 23.645 1.009 [OK] 857 125 A MET CG 9 C4H2b 0.770 1.880 3.032 25.401 24.009 1.058 possible 858 125 A MET SD 19 S2H0u 1.040 1.770 3.009 33.105 30.093 1.100 possible 859 125 A MET CE 10 C4H3u 0.770 1.880 3.306 31.477 37.161 0.847 possible 860 126 A ALA N 12 N3H1s 0.700 1.640 2.553 13.957 14.046 0.994 [OK] 861 126 A ALA CA 4 C4H1b 0.770 1.880 3.447 14.122 14.063 1.004 possible 862 126 A ALA C 1 C3H0s 0.770 1.610 2.283 8.025 8.900 0.902 [OK] 863 126 A ALA O 16 O1H0u 0.660 1.420 23.956 -1.000 16.188 -1.000 bad 864 126 A ALA CB 10 C4H3u 0.770 1.880 5.412 42.820 36.782 1.164 possible 865 127 A PHE N 12 N3H1s 0.700 1.640 2.407 12.817 13.691 0.936 [OK] 866 127 A PHE CA 3 C4H1s 0.770 1.880 5.592 19.134 13.449 1.423 possible 867 127 A PHE C 1 C3H0s 0.770 1.610 2.974 9.388 8.753 1.073 [OK] 868 127 A PHE O 16 O1H0u 0.660 1.420 2.450 14.349 16.151 0.888 [OK] 869 127 A PHE CB 8 C4H2s 0.770 1.880 4.434 28.637 23.777 1.204 possible 870 127 A PHE CG 2 C3H0b 0.770 1.610 3.071 10.105 9.721 1.039 possible 871 127 A PHE CD1 5 C3H1s 0.770 1.760 19.387 -1.000 20.405 -1.000 bad 872 127 A PHE CD2 6 C3H1b 0.770 1.760 3.212 22.072 21.051 1.049 possible 873 127 A PHE CE1 6 C3H1b 0.770 1.760 33.641 -1.000 21.580 -1.000 bad 874 127 A PHE CE2 6 C3H1b 0.770 1.760 4.374 29.985 21.680 1.383 possible 875 127 A PHE CZ 6 C3H1b 0.770 1.760 20.574 -1.000 21.666 -1.000 bad 876 128 A PRO N 11 N3H0u 0.700 1.640 3.241 9.305 8.823 1.055 possible 877 128 A PRO CA 4 C4H1b 0.770 1.880 2.974 15.365 13.955 1.101 [OK] 878 128 A PRO C 1 C3H0s 0.770 1.610 2.532 8.574 8.812 0.973 [OK] 879 128 A PRO O 16 O1H0u 0.660 1.420 2.403 14.718 16.169 0.910 [OK] 880 128 A PRO CB 9 C4H2b 0.770 1.880 7.817 40.842 25.563 1.598 possible 881 128 A PRO CG 9 C4H2b 0.770 1.880 14.245 -1.000 25.832 -1.000 bad 882 128 A PRO CD 8 C4H2s 0.770 1.880 16.029 -1.000 23.836 -1.000 bad 883 129 A ARG N 12 N3H1s 0.700 1.640 4.628 21.237 13.650 1.556 possible 884 129 A ARG CA 3 C4H1s 0.770 1.880 4.594 18.290 13.422 1.363 possible 885 129 A ARG C 1 C3H0s 0.770 1.610 3.194 9.093 8.838 1.029 possible 886 129 A ARG O 16 O1H0u 0.660 1.420 4.717 24.351 16.084 1.514 possible 887 129 A ARG CB 8 C4H2s 0.770 1.880 28.309 -1.000 23.088 -1.000 bad 888 129 A ARG CG 8 C4H2s 0.770 1.880 5.977 36.383 23.640 1.539 possible 889 129 A ARG CD 8 C4H2s 0.770 1.880 26.430 -1.000 23.300 -1.000 bad 890 129 A ARG NE 13 N3H1b 0.700 1.640 11.821 -1.000 15.569 -1.000 bad 891 129 A ARG CZ 2 C3H0b 0.770 1.610 1.805 -1.000 9.747 -1.000 bad 892 129 A ARG NH1 15 N3H2u 0.700 1.640 46.918 -1.000 22.782 -1.000 bad 893 129 A ARG NH2 15 N3H2u 0.700 1.640 51.374 -1.000 23.810 -1.000 bad 894 130 A LEU N 12 N3H1s 0.700 1.640 2.849 12.338 13.655 0.904 [OK] 895 130 A LEU CA 3 C4H1s 0.770 1.880 3.025 12.494 13.122 0.952 possible 896 130 A LEU C 1 C3H0s 0.770 1.610 3.064 8.319 8.825 0.943 possible 897 130 A LEU O 16 O1H0u 0.660 1.420 2.864 15.262 16.208 0.942 [OK] 898 130 A LEU CB 8 C4H2s 0.770 1.880 3.316 26.553 22.951 1.157 possible 899 130 A LEU CG 4 C4H1b 0.770 1.880 3.844 17.214 14.764 1.166 possible 900 130 A LEU CD1 10 C4H3u 0.770 1.880 21.884 -1.000 37.425 -1.000 bad 901 130 A LEU CD2 10 C4H3u 0.770 1.880 5.925 58.177 37.143 1.566 possible 902 131 A ASN N 12 N3H1s 0.700 1.640 2.902 12.781 13.695 0.933 [OK] 903 131 A ASN CA 3 C4H1s 0.770 1.880 3.306 15.306 13.167 1.162 possible 904 131 A ASN C 1 C3H0s 0.770 1.610 2.329 8.170 8.928 0.915 [OK] 905 131 A ASN O 16 O1H0u 0.660 1.420 2.518 17.048 16.199 1.052 [OK] 906 131 A ASN CB 8 C4H2s 0.770 1.880 2.808 20.581 23.128 0.890 [OK] 907 131 A ASN CG 2 C3H0b 0.770 1.610 2.418 9.359 9.599 0.975 [OK] 908 131 A ASN OD1 16 O1H0u 0.660 1.420 2.778 21.417 16.664 1.285 [OK] 909 131 A ASN ND2 15 N3H2u 0.700 1.640 2.730 24.882 23.083 1.078 [OK] 910 132 A ASN N 12 N3H1s 0.700 1.640 2.688 12.768 13.695 0.932 [OK] 911 132 A ASN CA 3 C4H1s 0.770 1.880 2.662 11.877 13.167 0.902 [OK] 912 132 A ASN C 1 C3H0s 0.770 1.610 2.137 7.912 8.928 0.886 [OK] 913 132 A ASN O 16 O1H0u 0.660 1.420 2.620 16.181 16.199 0.999 [OK] 914 132 A ASN CB 8 C4H2s 0.770 1.880 3.539 23.285 23.128 1.007 possible 915 132 A ASN CG 2 C3H0b 0.770 1.610 3.275 10.864 9.599 1.132 possible 916 132 A ASN OD1 16 O1H0u 0.660 1.420 6.110 52.443 16.664 3.147 possible 917 132 A ASN ND2 15 N3H2u 0.700 1.640 2.940 26.641 23.083 1.154 [OK] 918 133 A LEU N 12 N3H1s 0.700 1.640 3.028 12.628 13.655 0.925 possible 919 133 A LEU CA 3 C4H1s 0.770 1.880 3.459 15.316 13.122 1.167 possible 920 133 A LEU C 1 C3H0s 0.770 1.610 2.348 7.771 8.825 0.881 [OK] 921 133 A LEU O 16 O1H0u 0.660 1.420 2.627 13.440 16.208 0.829 [OK] 922 133 A LEU CB 8 C4H2s 0.770 1.880 4.653 28.146 22.951 1.226 possible 923 133 A LEU CG 4 C4H1b 0.770 1.880 3.002 13.554 14.764 0.918 possible 924 133 A LEU CD1 10 C4H3u 0.770 1.880 41.212 -1.000 37.425 -1.000 bad 925 133 A LEU CD2 10 C4H3u 0.770 1.880 29.208 -1.000 37.143 -1.000 bad 926 134 A SER N 12 N3H1s 0.700 1.640 2.364 12.268 14.103 0.870 [OK] 927 134 A SER CA 3 C4H1s 0.770 1.880 2.730 13.612 13.476 1.010 [OK] 928 134 A SER C 1 C3H0s 0.770 1.610 2.080 8.092 8.923 0.907 [OK] 929 134 A SER O 16 O1H0u 0.660 1.420 2.204 13.620 16.179 0.842 [OK] 930 134 A SER CB 8 C4H2s 0.770 1.880 2.673 20.702 23.884 0.867 [OK] 931 134 A SER OG 17 O2H1u 0.660 1.460 2.895 24.834 18.732 1.326 [OK] 932 135 A TYR N 12 N3H1s 0.700 1.640 2.566 14.153 13.691 1.034 [OK] 933 135 A TYR CA 3 C4H1s 0.770 1.880 2.707 13.656 13.330 1.024 [OK] 934 135 A TYR C 1 C3H0s 0.770 1.610 2.155 7.770 8.770 0.886 [OK] 935 135 A TYR O 16 O1H0u 0.660 1.420 2.396 14.205 16.124 0.881 [OK] 936 135 A TYR CB 8 C4H2s 0.770 1.880 3.202 26.354 23.678 1.113 possible 937 135 A TYR CG 2 C3H0b 0.770 1.610 2.717 9.588 9.732 0.985 [OK] 938 135 A TYR CD1 5 C3H1s 0.770 1.760 2.785 20.724 20.171 1.027 [OK] 939 135 A TYR CD2 5 C3H1s 0.770 1.760 3.123 24.261 20.728 1.170 possible 940 135 A TYR CE1 5 C3H1s 0.770 1.760 2.606 18.313 20.675 0.886 [OK] 941 135 A TYR CE2 5 C3H1s 0.770 1.760 3.134 21.330 20.810 1.025 possible 942 135 A TYR CZ 2 C3H0b 0.770 1.610 2.306 8.629 9.926 0.869 [OK] 943 135 A TYR OH 17 O2H1u 0.660 1.460 5.013 33.883 19.173 1.767 possible 944 136 A TRP N 12 N3H1s 0.700 1.640 2.468 12.817 13.791 0.929 [OK] 945 136 A TRP CA 3 C4H1s 0.770 1.880 2.770 12.791 13.377 0.956 [OK] 946 136 A TRP C 1 C3H0s 0.770 1.610 3.280 9.127 8.724 1.046 possible 947 136 A TRP O 16 O1H0u 0.660 1.420 3.125 17.820 15.951 1.117 possible 948 136 A TRP CB 8 C4H2s 0.770 1.880 13.818 -1.000 24.004 -1.000 bad 949 136 A TRP CG 2 C3H0b 0.770 1.610 7.766 22.707 9.965 2.279 possible 950 136 A TRP CD1 5 C3H1s 0.770 1.760 5.373 32.547 20.874 1.559 possible 951 136 A TRP CD2 2 C3H0b 0.770 1.610 6.776 16.578 10.097 1.642 possible 952 136 A TRP NE1 13 N3H1b 0.700 1.640 3.136 18.563 16.969 1.094 possible 953 136 A TRP CE2 2 C3H0b 0.770 1.610 3.584 12.056 9.889 1.219 possible 954 136 A TRP CE3 6 C3H1b 0.770 1.760 14.208 -1.000 20.448 -1.000 bad 955 136 A TRP CZ2 6 C3H1b 0.770 1.760 3.479 18.418 21.012 0.877 possible 956 136 A TRP CZ3 6 C3H1b 0.770 1.760 21.939 -1.000 21.516 -1.000 bad 957 136 A TRP CH2 6 C3H1b 0.770 1.760 4.960 25.714 21.339 1.205 possible 958 137 A MET N 12 N3H1s 0.700 1.640 3.998 14.611 13.564 1.077 possible 959 137 A MET CA 3 C4H1s 0.770 1.880 3.909 18.684 13.231 1.412 possible 960 137 A MET C 1 C3H0s 0.770 1.610 2.522 8.239 8.782 0.938 [OK] 961 137 A MET O 16 O1H0u 0.660 1.420 2.701 15.054 16.277 0.925 [OK] 962 137 A MET CB 8 C4H2s 0.770 1.880 2.813 21.773 23.645 0.921 [OK] 963 137 A MET CG 9 C4H2b 0.770 1.880 4.799 28.087 24.009 1.170 possible 964 137 A MET SD 19 S2H0u 1.040 1.770 22.770 -1.000 30.093 -1.000 bad 965 137 A MET CE 10 C4H3u 0.770 1.880 14.120 -1.000 37.161 -1.000 bad 966 138 A TYR N 12 N3H1s 0.700 1.640 2.417 12.065 13.691 0.881 [OK] 967 138 A TYR CA 3 C4H1s 0.770 1.880 3.262 16.991 13.330 1.275 possible 968 138 A TYR C 1 C3H0s 0.770 1.610 2.457 8.051 8.770 0.918 [OK] 969 138 A TYR O 16 O1H0u 0.660 1.420 2.786 17.881 16.124 1.109 [OK] 970 138 A TYR CB 8 C4H2s 0.770 1.880 3.122 22.507 23.678 0.951 possible 971 138 A TYR CG 2 C3H0b 0.770 1.610 2.736 9.664 9.732 0.993 [OK] 972 138 A TYR CD1 5 C3H1s 0.770 1.760 3.888 31.051 20.171 1.539 possible 973 138 A TYR CD2 5 C3H1s 0.770 1.760 2.786 20.706 20.728 0.999 [OK] 974 138 A TYR CE1 5 C3H1s 0.770 1.760 2.756 18.767 20.675 0.908 [OK] 975 138 A TYR CE2 5 C3H1s 0.770 1.760 2.921 19.561 20.810 0.940 [OK] 976 138 A TYR CZ 2 C3H0b 0.770 1.610 2.722 10.453 9.926 1.053 [OK] 977 138 A TYR OH 17 O2H1u 0.660 1.460 2.636 19.954 19.173 1.041 [OK] 978 139 A VAL N 12 N3H1s 0.700 1.640 2.475 12.215 13.676 0.893 [OK] 979 139 A VAL CA 3 C4H1s 0.770 1.880 3.192 15.133 13.123 1.153 possible 980 139 A VAL C 1 C3H0s 0.770 1.610 3.620 9.493 8.563 1.109 possible 981 139 A VAL O 16 O1H0u 0.660 1.420 3.997 20.696 16.181 1.279 possible 982 139 A VAL CB 4 C4H1b 0.770 1.880 3.766 17.214 14.598 1.179 possible 983 139 A VAL CG1 10 C4H3u 0.770 1.880 43.720 -1.000 36.584 -1.000 bad 984 139 A VAL CG2 10 C4H3u 0.770 1.880 3.463 37.308 36.332 1.027 possible 985 140 A CYS N 12 N3H1s 0.700 1.640 3.561 14.038 13.981 1.004 possible 986 140 A CYS CA 3 C4H1s 0.770 1.880 4.308 19.238 13.656 1.409 possible 987 140 A CYS C 1 C3H0s 0.770 1.610 2.541 8.492 8.897 0.954 [OK] 988 140 A CYS O 16 O1H0u 0.660 1.420 3.765 16.451 16.543 0.994 possible 989 140 A CYS CB 9 C4H2b 0.770 1.880 3.862 29.337 23.536 1.246 possible 990 140 A CYS SG 20 S2H1u 1.040 1.770 55.153 -1.000 34.603 -1.000 bad 991 141 A GLY N 12 N3H1s 0.700 1.640 2.653 13.241 14.854 0.891 [OK] 992 141 A GLY CA 8 C4H2s 0.770 1.880 3.208 25.830 23.688 1.090 possible 993 141 A GLY C 2 C3H0b 0.770 1.610 2.317 8.459 9.840 0.860 [OK] 994 141 A GLY O 16 O1H0u 0.660 1.420 2.619 14.844 16.391 0.906 [OK] 995 142 A VAL N 12 N3H1s 0.700 1.640 2.459 13.436 13.676 0.982 [OK] 996 142 A VAL CA 3 C4H1s 0.770 1.880 3.200 16.168 13.123 1.232 possible 997 142 A VAL C 1 C3H0s 0.770 1.610 2.419 7.559 8.563 0.883 [OK] 998 142 A VAL O 16 O1H0u 0.660 1.420 2.775 16.519 16.181 1.021 [OK] 999 142 A VAL CB 4 C4H1b 0.770 1.880 3.285 14.896 14.598 1.020 possible 1000 142 A VAL CG1 10 C4H3u 0.770 1.880 7.678 88.447 36.584 2.418 possible 1001 142 A VAL CG2 10 C4H3u 0.770 1.880 3.205 38.704 36.332 1.065 possible 1002 143 A ALA N 12 N3H1s 0.700 1.640 3.307 13.598 14.046 0.968 possible 1003 143 A ALA CA 4 C4H1b 0.770 1.880 5.282 23.604 14.063 1.678 possible 1004 143 A ALA C 1 C3H0s 0.770 1.610 3.842 9.284 8.900 1.043 possible 1005 143 A ALA O 16 O1H0u 0.660 1.420 5.496 25.979 16.188 1.605 possible 1006 143 A ALA CB 10 C4H3u 0.770 1.880 49.132 -1.000 36.782 -1.000 bad 1007 144 A LEU N 12 N3H1s 0.700 1.640 3.481 13.939 13.655 1.021 possible 1008 144 A LEU CA 3 C4H1s 0.770 1.880 3.551 13.783 13.122 1.050 possible 1009 144 A LEU C 1 C3H0s 0.770 1.610 2.138 7.935 8.825 0.899 [OK] 1010 144 A LEU O 16 O1H0u 0.660 1.420 2.430 15.650 16.208 0.966 [OK] 1011 144 A LEU CB 8 C4H2s 0.770 1.880 2.835 19.192 22.951 0.836 [OK] 1012 144 A LEU CG 4 C4H1b 0.770 1.880 4.617 22.825 14.764 1.546 possible 1013 144 A LEU CD1 10 C4H3u 0.770 1.880 9.112 -1.000 37.425 -1.000 bad 1014 144 A LEU CD2 10 C4H3u 0.770 1.880 31.576 -1.000 37.143 -1.000 bad 1015 145 A GLY N 12 N3H1s 0.700 1.640 2.313 11.397 14.854 0.767 [OK] 1016 145 A GLY CA 8 C4H2s 0.770 1.880 3.562 35.104 23.688 1.482 possible 1017 145 A GLY C 2 C3H0b 0.770 1.610 3.147 10.837 9.840 1.101 possible 1018 145 A GLY O 16 O1H0u 0.660 1.420 3.171 17.270 16.391 1.054 possible 1019 146 A VAL N 12 N3H1s 0.700 1.640 3.190 13.683 13.676 1.001 possible 1020 146 A VAL CA 3 C4H1s 0.770 1.880 3.706 16.490 13.123 1.257 possible 1021 146 A VAL C 1 C3H0s 0.770 1.610 3.021 8.330 8.563 0.973 possible 1022 146 A VAL O 16 O1H0u 0.660 1.420 2.851 14.745 16.181 0.911 [OK] 1023 146 A VAL CB 4 C4H1b 0.770 1.880 4.585 18.981 14.598 1.300 possible 1024 146 A VAL CG1 10 C4H3u 0.770 1.880 32.194 -1.000 36.584 -1.000 bad 1025 146 A VAL CG2 10 C4H3u 0.770 1.880 7.807 77.154 36.332 2.124 possible 1026 147 A ALA N 12 N3H1s 0.700 1.640 4.034 13.274 14.046 0.945 possible 1027 147 A ALA CA 4 C4H1b 0.770 1.880 5.050 25.353 14.063 1.803 possible 1028 147 A ALA C 1 C3H0s 0.770 1.610 2.177 7.639 8.900 0.858 [OK] 1029 147 A ALA O 16 O1H0u 0.660 1.420 4.772 18.072 16.188 1.116 possible 1030 147 A ALA CB 10 C4H3u 0.770 1.880 27.022 -1.000 36.782 -1.000 bad 1031 148 A SER N 12 N3H1s 0.700 1.640 2.319 11.264 14.103 0.799 [OK] 1032 148 A SER CA 3 C4H1s 0.770 1.880 2.548 12.512 13.476 0.928 [OK] 1033 148 A SER C 1 C3H0s 0.770 1.610 2.056 7.662 8.923 0.859 [OK] 1034 148 A SER O 16 O1H0u 0.660 1.420 2.215 14.216 16.179 0.879 [OK] 1035 148 A SER CB 8 C4H2s 0.770 1.880 3.296 20.830 23.884 0.872 possible 1036 148 A SER OG 17 O2H1u 0.660 1.460 2.958 16.084 18.732 0.859 [OK] 1037 149 A LEU N 12 N3H1s 0.700 1.640 2.146 12.019 13.655 0.880 [OK] 1038 149 A LEU CA 3 C4H1s 0.770 1.880 2.702 12.966 13.122 0.988 [OK] 1039 149 A LEU C 1 C3H0s 0.770 1.610 2.328 7.956 8.825 0.902 [OK] 1040 149 A LEU O 16 O1H0u 0.660 1.420 3.547 20.586 16.208 1.270 possible 1041 149 A LEU CB 8 C4H2s 0.770 1.880 3.697 22.942 22.951 1.000 possible 1042 149 A LEU CG 4 C4H1b 0.770 1.880 4.810 17.667 14.764 1.197 possible 1043 149 A LEU CD1 10 C4H3u 0.770 1.880 5.134 52.264 37.425 1.397 possible 1044 149 A LEU CD2 10 C4H3u 0.770 1.880 7.160 102.969 37.143 2.772 possible 1045 150 A LEU N 12 N3H1s 0.700 1.640 2.333 11.893 13.655 0.871 [OK] 1046 150 A LEU CA 3 C4H1s 0.770 1.880 2.893 12.795 13.122 0.975 [OK] 1047 150 A LEU C 1 C3H0s 0.770 1.610 4.223 9.775 8.825 1.108 possible 1048 150 A LEU O 16 O1H0u 0.660 1.420 14.881 -1.000 16.208 -1.000 bad 1049 150 A LEU CB 8 C4H2s 0.770 1.880 13.231 -1.000 22.951 -1.000 bad 1050 150 A LEU CG 4 C4H1b 0.770 1.880 3.486 14.537 14.764 0.985 possible 1051 150 A LEU CD1 10 C4H3u 0.770 1.880 45.502 -1.000 37.425 -1.000 bad 1052 150 A LEU CD2 10 C4H3u 0.770 1.880 36.309 -1.000 37.143 -1.000 bad 1053 151 A ALA N 12 N3H1s 0.700 1.640 4.839 16.016 14.046 1.140 possible 1054 151 A ALA CA 4 C4H1b 0.770 1.880 4.994 22.442 14.063 1.596 possible 1055 151 A ALA C 1 C3H0s 0.770 1.610 2.774 9.255 8.900 1.040 [OK] 1056 151 A ALA O 16 O1H0u 0.660 1.420 2.586 15.473 16.188 0.956 [OK] 1057 151 A ALA CB 10 C4H3u 0.770 1.880 4.366 35.747 36.782 0.972 possible 1058 152 A PRO N 11 N3H0u 0.700 1.640 2.820 8.467 8.823 0.960 [OK] 1059 152 A PRO CA 4 C4H1b 0.770 1.880 3.370 15.342 13.955 1.099 possible 1060 152 A PRO C 1 C3H0s 0.770 1.610 2.481 9.469 8.812 1.075 [OK] 1061 152 A PRO O 16 O1H0u 0.660 1.420 2.450 15.048 16.169 0.931 [OK] 1062 152 A PRO CB 9 C4H2b 0.770 1.880 24.550 -1.000 25.563 -1.000 bad 1063 152 A PRO CG 9 C4H2b 0.770 1.880 38.871 -1.000 25.832 -1.000 bad 1064 152 A PRO CD 8 C4H2s 0.770 1.880 5.408 30.714 23.836 1.289 possible 1065 153 A GLY N 12 N3H1s 0.700 1.640 3.401 17.983 14.854 1.211 possible 1066 153 A GLY CA 8 C4H2s 0.770 1.880 2.875 21.055 23.688 0.889 [OK] 1067 153 A GLY C 2 C3H0b 0.770 1.610 2.490 9.503 9.840 0.966 [OK] 1068 153 A GLY O 16 O1H0u 0.660 1.420 2.823 16.546 16.391 1.009 [OK] 1069 154 A GLY N 12 N3H1s 0.700 1.640 2.686 14.595 14.854 0.983 [OK] 1070 154 A GLY CA 8 C4H2s 0.770 1.880 3.363 23.684 23.688 1.000 possible 1071 154 A GLY C 2 C3H0b 0.770 1.610 3.143 9.714 9.840 0.987 possible 1072 154 A GLY O 16 O1H0u 0.660 1.420 7.872 53.049 16.391 3.236 possible 1073 155 A ASN N 12 N3H1s 0.700 1.640 2.772 15.339 13.695 1.120 [OK] 1074 155 A ASN CA 3 C4H1s 0.770 1.880 4.231 19.014 13.167 1.444 possible 1075 155 A ASN C 1 C3H0s 0.770 1.610 3.153 9.948 8.928 1.114 possible 1076 155 A ASN O 16 O1H0u 0.660 1.420 5.471 43.297 16.199 2.673 possible 1077 155 A ASN CB 8 C4H2s 0.770 1.880 16.758 -1.000 23.128 -1.000 bad 1078 155 A ASN CG 2 C3H0b 0.770 1.610 3.736 10.442 9.599 1.088 possible 1079 155 A ASN OD1 16 O1H0u 0.660 1.420 3.417 27.820 16.664 1.669 possible 1080 155 A ASN ND2 15 N3H2u 0.700 1.640 31.045 -1.000 23.083 -1.000 bad 1081 156 A ASP N 12 N3H1s 0.700 1.640 3.269 18.523 13.895 1.333 possible 1082 156 A ASP CA 3 C4H1s 0.770 1.880 4.895 25.593 13.377 1.913 possible 1083 156 A ASP C 1 C3H0s 0.770 1.610 4.193 12.512 8.816 1.419 possible 1084 156 A ASP O 16 O1H0u 0.660 1.420 25.869 -1.000 16.091 -1.000 bad 1085 156 A ASP CB 8 C4H2s 0.770 1.880 25.411 -1.000 23.481 -1.000 bad 1086 156 A ASP CG 2 C3H0b 0.770 1.610 3.888 -1.000 9.422 -1.000 bad 1087 156 A ASP OD1 16 O1H0u 0.660 1.420 44.919 -1.000 15.505 -1.000 bad 1088 156 A ASP OD2 16 O1H0u 0.660 1.420 37.275 -1.000 16.324 -1.000 bad 1089 157 A GLN N 12 N3H1s 0.700 1.640 3.467 15.678 13.616 1.151 possible 1090 157 A GLN CA 3 C4H1s 0.770 1.880 4.538 21.106 13.334 1.583 possible 1091 157 A GLN C 1 C3H0s 0.770 1.610 4.350 12.951 8.787 1.474 possible 1092 157 A GLN O 16 O1H0u 0.660 1.420 2.975 16.579 15.993 1.037 [OK] 1093 157 A GLN CB 8 C4H2s 0.770 1.880 3.021 22.681 23.275 0.974 possible 1094 157 A GLN CG 8 C4H2s 0.770 1.880 6.294 58.163 23.465 2.479 possible 1095 157 A GLN CD 2 C3H0b 0.770 1.610 4.030 11.968 9.659 1.239 possible 1096 157 A GLN OE1 16 O1H0u 0.660 1.420 3.618 25.716 17.091 1.505 possible 1097 157 A GLN NE2 15 N3H2u 0.700 1.640 4.931 47.832 24.150 1.981 possible 1098 158 A MET N 12 N3H1s 0.700 1.640 3.461 18.884 13.564 1.392 possible 1099 158 A MET CA 3 C4H1s 0.770 1.880 2.963 12.447 13.231 0.941 [OK] 1100 158 A MET C 1 C3H0s 0.770 1.610 2.963 9.335 8.782 1.063 [OK] 1101 158 A MET O 16 O1H0u 0.660 1.420 3.193 21.091 16.277 1.296 possible 1102 158 A MET CB 8 C4H2s 0.770 1.880 4.511 34.936 23.645 1.478 possible 1103 158 A MET CG 9 C4H2b 0.770 1.880 7.066 51.814 24.009 2.158 possible 1104 158 A MET SD 19 S2H0u 1.040 1.770 27.073 -1.000 30.093 -1.000 bad 1105 158 A MET CE 10 C4H3u 0.770 1.880 63.127 -1.000 37.161 -1.000 bad 1106 159 A GLY N 12 N3H1s 0.700 1.640 2.543 14.622 14.854 0.984 [OK] 1107 159 A GLY CA 8 C4H2s 0.770 1.880 2.916 22.411 23.688 0.946 [OK] 1108 159 A GLY C 2 C3H0b 0.770 1.610 2.430 9.175 9.840 0.932 [OK] 1109 159 A GLY O 16 O1H0u 0.660 1.420 2.498 17.843 16.391 1.089 [OK] 1110 160 A SER N 12 N3H1s 0.700 1.640 2.416 13.691 14.103 0.971 [OK] 1111 160 A SER CA 3 C4H1s 0.770 1.880 2.713 12.594 13.476 0.935 [OK] 1112 160 A SER C 1 C3H0s 0.770 1.610 2.517 9.439 8.923 1.058 [OK] 1113 160 A SER O 16 O1H0u 0.660 1.420 2.376 15.159 16.179 0.937 [OK] 1114 160 A SER CB 8 C4H2s 0.770 1.880 3.569 30.026 23.884 1.257 possible 1115 160 A SER OG 17 O2H1u 0.660 1.460 2.758 20.360 18.732 1.087 [OK] 1116 161 A GLY N 12 N3H1s 0.700 1.640 3.210 17.678 14.854 1.190 possible 1117 161 A GLY CA 8 C4H2s 0.770 1.880 3.312 22.909 23.688 0.967 possible 1118 161 A GLY C 2 C3H0b 0.770 1.610 2.886 10.137 9.840 1.030 [OK] 1119 161 A GLY O 16 O1H0u 0.660 1.420 3.428 25.472 16.391 1.554 possible 1120 162 A VAL N 12 N3H1s 0.700 1.640 2.534 12.955 13.676 0.947 [OK] 1121 162 A VAL CA 3 C4H1s 0.770 1.880 2.683 12.679 13.123 0.966 [OK] 1122 162 A VAL C 1 C3H0s 0.770 1.610 2.290 8.328 8.563 0.973 [OK] 1123 162 A VAL O 16 O1H0u 0.660 1.420 3.019 25.066 16.181 1.549 possible 1124 162 A VAL CB 4 C4H1b 0.770 1.880 2.996 15.815 14.598 1.083 [OK] 1125 162 A VAL CG1 10 C4H3u 0.770 1.880 2.962 32.160 36.584 0.879 [OK] 1126 162 A VAL CG2 10 C4H3u 0.770 1.880 3.271 34.276 36.332 0.943 possible 1127 163 A GLY N 12 N3H1s 0.700 1.640 2.758 13.825 14.854 0.931 [OK] 1128 163 A GLY CA 8 C4H2s 0.770 1.880 3.212 28.083 23.688 1.186 possible 1129 163 A GLY C 2 C3H0b 0.770 1.610 2.651 9.365 9.840 0.952 [OK] 1130 163 A GLY O 16 O1H0u 0.660 1.420 2.419 14.676 16.391 0.895 [OK] 1131 164 A TRP N 12 N3H1s 0.700 1.640 2.628 14.720 13.791 1.067 [OK] 1132 164 A TRP CA 3 C4H1s 0.770 1.880 2.798 13.448 13.377 1.005 [OK] 1133 164 A TRP C 1 C3H0s 0.770 1.610 2.393 8.318 8.724 0.953 [OK] 1134 164 A TRP O 16 O1H0u 0.660 1.420 3.371 25.231 15.951 1.582 possible 1135 164 A TRP CB 8 C4H2s 0.770 1.880 2.843 22.522 24.004 0.938 [OK] 1136 164 A TRP CG 2 C3H0b 0.770 1.610 2.399 9.541 9.965 0.957 [OK] 1137 164 A TRP CD1 5 C3H1s 0.770 1.760 2.626 17.296 20.874 0.829 [OK] 1138 164 A TRP CD2 2 C3H0b 0.770 1.610 2.389 9.482 10.097 0.939 [OK] 1139 164 A TRP NE1 13 N3H1b 0.700 1.640 2.789 18.063 16.969 1.064 [OK] 1140 164 A TRP CE2 2 C3H0b 0.770 1.610 2.517 9.027 9.889 0.913 [OK] 1141 164 A TRP CE3 6 C3H1b 0.770 1.760 3.017 19.832 20.448 0.970 possible 1142 164 A TRP CZ2 6 C3H1b 0.770 1.760 3.316 24.649 21.012 1.173 possible 1143 164 A TRP CZ3 6 C3H1b 0.770 1.760 3.528 26.249 21.516 1.220 possible 1144 164 A TRP CH2 6 C3H1b 0.770 1.760 3.270 28.049 21.339 1.314 possible 1145 165 A VAL N 12 N3H1s 0.700 1.640 2.586 12.730 13.676 0.931 [OK] 1146 165 A VAL CA 3 C4H1s 0.770 1.880 3.664 15.541 13.123 1.184 possible 1147 165 A VAL C 1 C3H0s 0.770 1.610 3.446 9.917 8.563 1.158 possible 1148 165 A VAL O 16 O1H0u 0.660 1.420 3.181 16.729 16.181 1.034 possible 1149 165 A VAL CB 4 C4H1b 0.770 1.880 2.632 12.238 14.598 0.838 [OK] 1150 165 A VAL CG1 10 C4H3u 0.770 1.880 3.616 36.748 36.584 1.004 possible 1151 165 A VAL CG2 10 C4H3u 0.770 1.880 3.879 43.089 36.332 1.186 possible 1152 166 A LEU N 12 N3H1s 0.700 1.640 2.765 13.700 13.655 1.003 [OK] 1153 166 A LEU CA 3 C4H1s 0.770 1.880 2.560 13.773 13.122 1.050 [OK] 1154 166 A LEU C 1 C3H0s 0.770 1.610 2.376 8.559 8.825 0.970 [OK] 1155 166 A LEU O 16 O1H0u 0.660 1.420 2.295 14.506 16.208 0.895 [OK] 1156 166 A LEU CB 8 C4H2s 0.770 1.880 2.660 20.977 22.951 0.914 [OK] 1157 166 A LEU CG 4 C4H1b 0.770 1.880 3.652 16.268 14.764 1.102 possible 1158 166 A LEU CD1 10 C4H3u 0.770 1.880 3.948 58.914 37.425 1.574 possible 1159 166 A LEU CD2 10 C4H3u 0.770 1.880 3.569 46.591 37.143 1.254 possible 1160 167 A TYR N 12 N3H1s 0.700 1.640 2.853 16.688 13.691 1.219 [OK] 1161 167 A TYR CA 3 C4H1s 0.770 1.880 2.640 11.624 13.330 0.872 [OK] 1162 167 A TYR C 1 C3H0s 0.770 1.610 2.729 8.808 8.770 1.004 [OK] 1163 167 A TYR O 16 O1H0u 0.660 1.420 3.133 18.445 16.124 1.144 possible 1164 167 A TYR CB 8 C4H2s 0.770 1.880 3.797 41.515 23.678 1.753 possible 1165 167 A TYR CG 2 C3H0b 0.770 1.610 3.268 12.703 9.732 1.305 possible 1166 167 A TYR CD1 5 C3H1s 0.770 1.760 3.405 23.150 20.171 1.148 possible 1167 167 A TYR CD2 5 C3H1s 0.770 1.760 3.369 29.245 20.728 1.411 possible 1168 167 A TYR CE1 5 C3H1s 0.770 1.760 3.957 26.115 20.675 1.263 possible 1169 167 A TYR CE2 5 C3H1s 0.770 1.760 3.260 22.550 20.810 1.084 possible 1170 167 A TYR CZ 2 C3H0b 0.770 1.610 3.678 13.269 9.926 1.337 possible 1171 167 A TYR OH 17 O2H1u 0.660 1.460 3.832 23.807 19.173 1.242 possible 1172 168 A PRO N 11 N3H0u 0.700 1.640 2.412 7.905 8.823 0.896 [OK] 1173 168 A PRO CA 4 C4H1b 0.770 1.880 2.702 12.705 13.955 0.910 [OK] 1174 168 A PRO C 1 C3H0s 0.770 1.610 2.739 9.384 8.812 1.065 [OK] 1175 168 A PRO O 16 O1H0u 0.660 1.420 3.138 19.366 16.169 1.198 possible 1176 168 A PRO CB 9 C4H2b 0.770 1.880 2.966 26.323 25.563 1.030 [OK] 1177 168 A PRO CG 9 C4H2b 0.770 1.880 2.621 21.679 25.832 0.839 [OK] 1178 168 A PRO CD 8 C4H2s 0.770 1.880 2.805 20.707 23.836 0.869 [OK] 1179 169 A PRO N 11 N3H0u 0.700 1.640 3.098 8.956 8.823 1.015 possible 1180 169 A PRO CA 4 C4H1b 0.770 1.880 2.896 14.746 13.955 1.057 [OK] 1181 169 A PRO C 1 C3H0s 0.770 1.610 2.423 8.939 8.812 1.014 [OK] 1182 169 A PRO O 16 O1H0u 0.660 1.420 2.739 16.247 16.169 1.005 [OK] 1183 169 A PRO CB 9 C4H2b 0.770 1.880 4.705 47.871 25.563 1.873 possible 1184 169 A PRO CG 9 C4H2b 0.770 1.880 3.531 30.111 25.832 1.166 possible 1185 169 A PRO CD 8 C4H2s 0.770 1.880 3.285 26.019 23.836 1.092 possible 1186 170 A LEU N 12 N3H1s 0.700 1.640 3.310 16.304 13.655 1.194 possible 1187 170 A LEU CA 3 C4H1s 0.770 1.880 2.824 13.153 13.122 1.002 [OK] 1188 170 A LEU C 1 C3H0s 0.770 1.610 2.349 8.078 8.825 0.915 [OK] 1189 170 A LEU O 16 O1H0u 0.660 1.420 2.732 18.181 16.208 1.122 [OK] 1190 170 A LEU CB 8 C4H2s 0.770 1.880 3.728 29.785 22.951 1.298 possible 1191 170 A LEU CG 4 C4H1b 0.770 1.880 3.093 13.447 14.764 0.911 possible 1192 170 A LEU CD1 10 C4H3u 0.770 1.880 4.305 51.473 37.425 1.375 possible 1193 170 A LEU CD2 10 C4H3u 0.770 1.880 3.456 40.582 37.143 1.093 possible 1194 171 A SER N 12 N3H1s 0.700 1.640 2.522 12.771 14.103 0.906 [OK] 1195 171 A SER CA 3 C4H1s 0.770 1.880 2.654 13.124 13.476 0.974 [OK] 1196 171 A SER C 1 C3H0s 0.770 1.610 2.744 9.091 8.923 1.019 [OK] 1197 171 A SER O 16 O1H0u 0.660 1.420 2.558 17.409 16.179 1.076 [OK] 1198 171 A SER CB 8 C4H2s 0.770 1.880 2.766 23.372 23.884 0.979 [OK] 1199 171 A SER OG 17 O2H1u 0.660 1.460 2.637 18.549 18.732 0.990 [OK] 1200 172 A THR N 12 N3H1s 0.700 1.640 2.519 13.628 13.832 0.985 [OK] 1201 172 A THR CA 3 C4H1s 0.770 1.880 2.762 12.902 13.099 0.985 [OK] 1202 172 A THR C 1 C3H0s 0.770 1.610 3.309 10.120 8.738 1.158 possible 1203 172 A THR O 16 O1H0u 0.660 1.420 18.046 -1.000 16.020 -1.000 bad 1204 172 A THR CB 4 C4H1b 0.770 1.880 3.610 17.024 14.829 1.148 possible 1205 172 A THR OG1 17 O2H1u 0.660 1.460 3.697 32.689 18.123 1.804 possible 1206 172 A THR CG2 10 C4H3u 0.770 1.880 3.051 37.584 36.542 1.029 possible 1207 173 A THR N 12 N3H1s 0.700 1.640 3.552 15.161 13.832 1.096 possible 1208 173 A THR CA 3 C4H1s 0.770 1.880 6.956 29.646 13.099 2.263 possible 1209 173 A THR C 1 C3H0s 0.770 1.610 3.566 10.101 8.738 1.156 possible 1210 173 A THR O 16 O1H0u 0.660 1.420 16.692 -1.000 16.020 -1.000 bad 1211 173 A THR CB 4 C4H1b 0.770 1.880 2.724 13.651 14.829 0.921 [OK] 1212 173 A THR OG1 17 O2H1u 0.660 1.460 22.157 -1.000 18.123 -1.000 bad 1213 173 A THR CG2 10 C4H3u 0.770 1.880 33.830 -1.000 36.542 -1.000 bad 1214 174 A GLU N 12 N3H1s 0.700 1.640 2.887 16.040 13.615 1.178 [OK] 1215 174 A GLU CA 3 C4H1s 0.770 1.880 3.559 15.563 13.399 1.162 possible 1216 174 A GLU C 1 C3H0s 0.770 1.610 2.543 8.685 8.675 1.001 [OK] 1217 174 A GLU O 16 O1H0u 0.660 1.420 6.409 35.514 16.023 2.216 possible 1218 174 A GLU CB 8 C4H2s 0.770 1.880 2.680 21.126 23.529 0.898 [OK] 1219 174 A GLU CG 8 C4H2s 0.770 1.880 2.654 23.220 23.513 0.988 [OK] 1220 174 A GLU CD 2 C3H0b 0.770 1.610 2.500 8.870 9.460 0.938 [OK] 1221 174 A GLU OE1 16 O1H0u 0.660 1.420 2.826 18.581 15.999 1.161 [OK] 1222 174 A GLU OE2 16 O1H0u 0.660 1.420 3.671 38.338 17.432 2.199 possible 1223 175 A ALA N 12 N3H1s 0.700 1.640 3.612 17.280 14.046 1.230 possible 1224 175 A ALA CA 4 C4H1b 0.770 1.880 12.696 -1.000 14.063 -1.000 bad 1225 175 A ALA C 1 C3H0s 0.770 1.610 5.632 11.634 8.900 1.307 possible 1226 175 A ALA O 16 O1H0u 0.660 1.420 22.956 -1.000 16.188 -1.000 bad 1227 175 A ALA CB 10 C4H3u 0.770 1.880 26.050 -1.000 36.782 -1.000 bad 1228 176 A GLY N 12 N3H1s 0.700 1.640 5.446 18.730 14.854 1.261 possible 1229 176 A GLY CA 8 C4H2s 0.770 1.880 15.104 -1.000 23.688 -1.000 bad 1230 176 A GLY C 2 C3H0b 0.770 1.610 5.077 14.100 9.840 1.433 possible 1231 176 A GLY O 16 O1H0u 0.660 1.420 5.266 31.486 16.391 1.921 possible 1232 177 A TYR N 12 N3H1s 0.700 1.640 3.405 13.671 13.691 0.999 possible 1233 177 A TYR CA 3 C4H1s 0.770 1.880 3.049 13.089 13.330 0.982 possible 1234 177 A TYR C 1 C3H0s 0.770 1.610 2.690 9.696 8.770 1.106 [OK] 1235 177 A TYR O 16 O1H0u 0.660 1.420 2.746 14.023 16.124 0.870 [OK] 1236 177 A TYR CB 8 C4H2s 0.770 1.880 20.534 -1.000 23.678 -1.000 bad 1237 177 A TYR CG 2 C3H0b 0.770 1.610 0.579 -1.000 9.732 -1.000 bad 1238 177 A TYR CD1 5 C3H1s 0.770 1.760 14.251 -1.000 20.171 -1.000 bad 1239 177 A TYR CD2 5 C3H1s 0.770 1.760 11.284 -1.000 20.728 -1.000 bad 1240 177 A TYR CE1 5 C3H1s 0.770 1.760 18.009 -1.000 20.675 -1.000 bad 1241 177 A TYR CE2 5 C3H1s 0.770 1.760 16.256 -1.000 20.810 -1.000 bad 1242 177 A TYR CZ 2 C3H0b 0.770 1.610 1.852 -1.000 9.926 -1.000 bad 1243 177 A TYR OH 17 O2H1u 0.660 1.460 37.840 -1.000 19.173 -1.000 bad 1244 178 A SER N 12 N3H1s 0.700 1.640 2.567 14.054 14.103 0.997 [OK] 1245 178 A SER CA 3 C4H1s 0.770 1.880 2.662 13.834 13.476 1.027 [OK] 1246 178 A SER C 1 C3H0s 0.770 1.610 2.409 7.851 8.923 0.880 [OK] 1247 178 A SER O 16 O1H0u 0.660 1.420 2.619 13.663 16.179 0.844 [OK] 1248 178 A SER CB 8 C4H2s 0.770 1.880 2.810 23.563 23.884 0.987 [OK] 1249 178 A SER OG 17 O2H1u 0.660 1.460 2.546 14.870 18.732 0.794 [OK] 1250 179 A MET N 12 N3H1s 0.700 1.640 2.670 12.939 13.564 0.954 [OK] 1251 179 A MET CA 3 C4H1s 0.770 1.880 3.067 13.798 13.231 1.043 possible 1252 179 A MET C 1 C3H0s 0.770 1.610 2.682 8.702 8.782 0.991 [OK] 1253 179 A MET O 16 O1H0u 0.660 1.420 2.623 14.302 16.277 0.879 [OK] 1254 179 A MET CB 8 C4H2s 0.770 1.880 2.905 21.122 23.645 0.893 [OK] 1255 179 A MET CG 9 C4H2b 0.770 1.880 2.656 23.772 24.009 0.990 [OK] 1256 179 A MET SD 19 S2H0u 1.040 1.770 3.298 32.430 30.093 1.078 possible 1257 179 A MET CE 10 C4H3u 0.770 1.880 3.051 37.173 37.161 1.000 possible 1258 180 A ASP N 12 N3H1s 0.700 1.640 2.708 12.720 13.895 0.915 [OK] 1259 180 A ASP CA 3 C4H1s 0.770 1.880 3.100 15.451 13.377 1.155 possible 1260 180 A ASP C 1 C3H0s 0.770 1.610 2.866 8.738 8.816 0.991 [OK] 1261 180 A ASP O 16 O1H0u 0.660 1.420 2.664 16.675 16.091 1.036 [OK] 1262 180 A ASP CB 8 C4H2s 0.770 1.880 5.847 42.393 23.481 1.805 possible 1263 180 A ASP CG 2 C3H0b 0.770 1.610 4.812 12.471 9.422 1.324 possible 1264 180 A ASP OD1 16 O1H0u 0.660 1.420 2.936 19.673 15.505 1.269 [OK] 1265 180 A ASP OD2 16 O1H0u 0.660 1.420 4.467 29.055 16.324 1.780 possible 1266 181 A LEU N 12 N3H1s 0.700 1.640 3.008 13.630 13.655 0.998 possible 1267 181 A LEU CA 3 C4H1s 0.770 1.880 2.892 13.339 13.122 1.017 [OK] 1268 181 A LEU C 1 C3H0s 0.770 1.610 2.225 8.108 8.825 0.919 [OK] 1269 181 A LEU O 16 O1H0u 0.660 1.420 2.488 16.039 16.208 0.990 [OK] 1270 181 A LEU CB 8 C4H2s 0.770 1.880 2.851 19.406 22.951 0.846 [OK] 1271 181 A LEU CG 4 C4H1b 0.770 1.880 3.125 15.319 14.764 1.038 possible 1272 181 A LEU CD1 10 C4H3u 0.770 1.880 5.834 44.709 37.425 1.195 possible 1273 181 A LEU CD2 10 C4H3u 0.770 1.880 23.998 -1.000 37.143 -1.000 bad 1274 182 A ALA N 12 N3H1s 0.700 1.640 2.248 11.293 14.046 0.804 [OK] 1275 182 A ALA CA 4 C4H1b 0.770 1.880 3.523 15.849 14.063 1.127 possible 1276 182 A ALA C 1 C3H0s 0.770 1.610 2.930 8.916 8.900 1.002 [OK] 1277 182 A ALA O 16 O1H0u 0.660 1.420 2.920 17.124 16.188 1.058 [OK] 1278 182 A ALA CB 10 C4H3u 0.770 1.880 3.571 55.527 36.782 1.510 possible 1279 183 A ILE N 12 N3H1s 0.700 1.640 2.876 13.081 13.633 0.959 [OK] 1280 183 A ILE CA 3 C4H1s 0.770 1.880 3.273 16.638 13.007 1.279 possible 1281 183 A ILE C 1 C3H0s 0.770 1.610 2.552 8.090 8.470 0.955 [OK] 1282 183 A ILE O 16 O1H0u 0.660 1.420 2.422 14.277 16.144 0.884 [OK] 1283 183 A ILE CB 4 C4H1b 0.770 1.880 3.116 15.626 14.227 1.098 possible 1284 183 A ILE CG1 9 C4H2b 0.770 1.880 3.105 24.705 24.187 1.021 possible 1285 183 A ILE CG2 10 C4H3u 0.770 1.880 3.091 31.306 35.961 0.871 possible 1286 183 A ILE CD1 10 C4H3u 0.770 1.880 3.008 34.792 38.377 0.907 possible 1287 184 A PHE N 12 N3H1s 0.700 1.640 2.642 12.865 13.691 0.940 [OK] 1288 184 A PHE CA 3 C4H1s 0.770 1.880 3.369 13.522 13.449 1.005 possible 1289 184 A PHE C 1 C3H0s 0.770 1.610 2.232 8.024 8.753 0.917 [OK] 1290 184 A PHE O 16 O1H0u 0.660 1.420 3.049 14.287 16.151 0.885 possible 1291 184 A PHE CB 8 C4H2s 0.770 1.880 4.337 28.775 23.777 1.210 possible 1292 184 A PHE CG 2 C3H0b 0.770 1.610 7.602 18.229 9.721 1.875 possible 1293 184 A PHE CD1 5 C3H1s 0.770 1.760 11.384 -1.000 20.405 -1.000 bad 1294 184 A PHE CD2 6 C3H1b 0.770 1.760 7.029 -1.000 21.051 -1.000 bad 1295 184 A PHE CE1 6 C3H1b 0.770 1.760 19.337 -1.000 21.580 -1.000 bad 1296 184 A PHE CE2 6 C3H1b 0.770 1.760 21.357 -1.000 21.680 -1.000 bad 1297 184 A PHE CZ 6 C3H1b 0.770 1.760 20.821 -1.000 21.666 -1.000 bad 1298 185 A ALA N 12 N3H1s 0.700 1.640 2.373 11.622 14.046 0.827 [OK] 1299 185 A ALA CA 4 C4H1b 0.770 1.880 2.631 13.027 14.063 0.926 [OK] 1300 185 A ALA C 1 C3H0s 0.770 1.610 2.724 8.687 8.900 0.976 [OK] 1301 185 A ALA O 16 O1H0u 0.660 1.420 2.313 15.636 16.188 0.966 [OK] 1302 185 A ALA CB 10 C4H3u 0.770 1.880 3.508 34.738 36.782 0.944 possible 1303 186 A VAL N 12 N3H1s 0.700 1.640 2.750 12.689 13.676 0.928 [OK] 1304 186 A VAL CA 3 C4H1s 0.770 1.880 2.994 14.131 13.123 1.077 [OK] 1305 186 A VAL C 1 C3H0s 0.770 1.610 2.393 7.938 8.563 0.927 [OK] 1306 186 A VAL O 16 O1H0u 0.660 1.420 3.224 19.708 16.181 1.218 possible 1307 186 A VAL CB 4 C4H1b 0.770 1.880 3.273 16.154 14.598 1.107 possible 1308 186 A VAL CG1 10 C4H3u 0.770 1.880 3.695 40.256 36.584 1.100 possible 1309 186 A VAL CG2 10 C4H3u 0.770 1.880 3.565 53.471 36.332 1.472 possible 1310 187 A HIS N 12 N3H1s 0.700 1.640 2.498 11.883 13.715 0.866 [OK] 1311 187 A HIS CA 3 C4H1s 0.770 1.880 3.706 15.538 13.467 1.154 possible 1312 187 A HIS C 1 C3H0s 0.770 1.610 3.988 9.077 8.882 1.022 possible 1313 187 A HIS O 16 O1H0u 0.660 1.420 5.402 36.128 16.082 2.246 possible 1314 187 A HIS CB 8 C4H2s 0.770 1.880 7.658 43.255 23.653 1.829 possible 1315 187 A HIS CG 2 C3H0b 0.770 1.610 0.636 -1.000 9.952 -1.000 bad 1316 187 A HIS ND1 13 N3H1b 0.700 1.640 3.320 -1.000 15.506 -1.000 bad 1317 187 A HIS CD2 5 C3H1s 0.770 1.760 12.011 -1.000 21.085 -1.000 bad 1318 187 A HIS CE1 5 C3H1s 0.770 1.760 9.649 -1.000 20.636 -1.000 bad 1319 187 A HIS NE2 13 N3H1b 0.700 1.640 5.790 -1.000 15.337 -1.000 bad 1320 188 A VAL N 12 N3H1s 0.700 1.640 3.835 13.636 13.676 0.997 possible 1321 188 A VAL CA 3 C4H1s 0.770 1.880 4.705 19.200 13.123 1.463 possible 1322 188 A VAL C 1 C3H0s 0.770 1.610 2.658 7.843 8.563 0.916 [OK] 1323 188 A VAL O 16 O1H0u 0.660 1.420 2.649 16.317 16.181 1.008 [OK] 1324 188 A VAL CB 4 C4H1b 0.770 1.880 2.658 14.452 14.598 0.990 [OK] 1325 188 A VAL CG1 10 C4H3u 0.770 1.880 4.263 36.633 36.584 1.001 possible 1326 188 A VAL CG2 10 C4H3u 0.770 1.880 29.863 -1.000 36.332 -1.000 bad 1327 189 A SER N 12 N3H1s 0.700 1.640 2.899 14.521 14.103 1.030 [OK] 1328 189 A SER CA 3 C4H1s 0.770 1.880 3.361 18.828 13.476 1.397 possible 1329 189 A SER C 1 C3H0s 0.770 1.610 2.866 8.064 8.923 0.904 [OK] 1330 189 A SER O 16 O1H0u 0.660 1.420 3.265 18.246 16.179 1.128 possible 1331 189 A SER CB 8 C4H2s 0.770 1.880 3.276 23.931 23.884 1.002 possible 1332 189 A SER OG 17 O2H1u 0.660 1.460 3.581 37.916 18.732 2.024 possible 1333 190 A GLY N 12 N3H1s 0.700 1.640 3.460 15.841 14.854 1.066 possible 1334 190 A GLY CA 8 C4H2s 0.770 1.880 3.795 39.296 23.688 1.659 possible 1335 190 A GLY C 2 C3H0b 0.770 1.610 3.590 11.765 9.840 1.196 possible 1336 190 A GLY O 16 O1H0u 0.660 1.420 2.699 15.027 16.391 0.917 [OK] 1337 191 A ALA N 12 N3H1s 0.700 1.640 4.161 16.389 14.046 1.167 possible 1338 191 A ALA CA 4 C4H1b 0.770 1.880 4.465 21.423 14.063 1.523 possible 1339 191 A ALA C 1 C3H0s 0.770 1.610 2.276 8.226 8.900 0.924 [OK] 1340 191 A ALA O 16 O1H0u 0.660 1.420 3.494 16.612 16.188 1.026 possible 1341 191 A ALA CB 10 C4H3u 0.770 1.880 29.023 -1.000 36.782 -1.000 bad 1342 192 A SER N 12 N3H1s 0.700 1.640 2.454 13.083 14.103 0.928 [OK] 1343 192 A SER CA 3 C4H1s 0.770 1.880 2.730 14.648 13.476 1.087 [OK] 1344 192 A SER C 1 C3H0s 0.770 1.610 2.935 8.408 8.923 0.942 [OK] 1345 192 A SER O 16 O1H0u 0.660 1.420 3.534 21.288 16.179 1.316 possible 1346 192 A SER CB 8 C4H2s 0.770 1.880 3.456 25.091 23.884 1.051 possible 1347 192 A SER OG 17 O2H1u 0.660 1.460 3.452 26.721 18.732 1.426 possible 1348 193 A SER N 12 N3H1s 0.700 1.640 2.934 13.258 14.103 0.940 [OK] 1349 193 A SER CA 3 C4H1s 0.770 1.880 4.096 18.249 13.476 1.354 possible 1350 193 A SER C 1 C3H0s 0.770 1.610 2.156 8.237 8.923 0.923 [OK] 1351 193 A SER O 16 O1H0u 0.660 1.420 2.857 16.561 16.179 1.024 [OK] 1352 193 A SER CB 8 C4H2s 0.770 1.880 3.569 24.999 23.884 1.047 possible 1353 193 A SER OG 17 O2H1u 0.660 1.460 3.611 49.838 18.732 2.661 possible 1354 194 A ILE N 12 N3H1s 0.700 1.640 2.350 12.244 13.633 0.898 [OK] 1355 194 A ILE CA 3 C4H1s 0.770 1.880 2.688 13.042 13.007 1.003 [OK] 1356 194 A ILE C 1 C3H0s 0.770 1.610 2.621 8.396 8.470 0.991 [OK] 1357 194 A ILE O 16 O1H0u 0.660 1.420 2.866 14.964 16.144 0.927 [OK] 1358 194 A ILE CB 4 C4H1b 0.770 1.880 3.932 16.823 14.227 1.182 possible 1359 194 A ILE CG1 9 C4H2b 0.770 1.880 2.955 23.538 24.187 0.973 [OK] 1360 194 A ILE CG2 10 C4H3u 0.770 1.880 19.893 -1.000 35.961 -1.000 bad 1361 194 A ILE CD1 10 C4H3u 0.770 1.880 25.394 -1.000 38.377 -1.000 bad 1362 195 A LEU N 12 N3H1s 0.700 1.640 2.697 12.974 13.655 0.950 [OK] 1363 195 A LEU CA 3 C4H1s 0.770 1.880 2.926 12.687 13.122 0.967 [OK] 1364 195 A LEU C 1 C3H0s 0.770 1.610 2.990 8.899 8.825 1.008 [OK] 1365 195 A LEU O 16 O1H0u 0.660 1.420 2.790 16.905 16.208 1.043 [OK] 1366 195 A LEU CB 8 C4H2s 0.770 1.880 3.196 21.599 22.951 0.941 possible 1367 195 A LEU CG 4 C4H1b 0.770 1.880 2.947 14.325 14.764 0.970 [OK] 1368 195 A LEU CD1 10 C4H3u 0.770 1.880 3.279 31.561 37.425 0.843 possible 1369 195 A LEU CD2 10 C4H3u 0.770 1.880 27.285 -1.000 37.143 -1.000 bad 1370 196 A GLY N 12 N3H1s 0.700 1.640 2.952 15.463 14.854 1.041 [OK] 1371 196 A GLY CA 8 C4H2s 0.770 1.880 3.808 45.065 23.688 1.902 possible 1372 196 A GLY C 2 C3H0b 0.770 1.610 2.644 8.749 9.840 0.889 [OK] 1373 196 A GLY O 16 O1H0u 0.660 1.420 3.183 16.605 16.391 1.013 possible 1374 197 A ALA N 12 N3H1s 0.700 1.640 2.412 12.049 14.046 0.858 [OK] 1375 197 A ALA CA 4 C4H1b 0.770 1.880 2.473 12.781 14.063 0.909 [OK] 1376 197 A ALA C 1 C3H0s 0.770 1.610 2.592 8.582 8.900 0.964 [OK] 1377 197 A ALA O 16 O1H0u 0.660 1.420 2.456 15.274 16.188 0.944 [OK] 1378 197 A ALA CB 10 C4H3u 0.770 1.880 2.863 33.104 36.782 0.900 [OK] 1379 198 A ILE N 12 N3H1s 0.700 1.640 2.510 12.657 13.633 0.928 [OK] 1380 198 A ILE CA 3 C4H1s 0.770 1.880 3.312 16.052 13.007 1.234 possible 1381 198 A ILE C 1 C3H0s 0.770 1.610 2.619 8.153 8.470 0.963 [OK] 1382 198 A ILE O 16 O1H0u 0.660 1.420 3.217 21.910 16.144 1.357 possible 1383 198 A ILE CB 4 C4H1b 0.770 1.880 3.092 13.446 14.227 0.945 possible 1384 198 A ILE CG1 9 C4H2b 0.770 1.880 7.060 75.706 24.187 3.130 possible 1385 198 A ILE CG2 10 C4H3u 0.770 1.880 4.617 51.010 35.961 1.418 possible 1386 198 A ILE CD1 10 C4H3u 0.770 1.880 49.804 -1.000 38.377 -1.000 bad 1387 199 A ASN N 12 N3H1s 0.700 1.640 2.658 11.955 13.695 0.873 [OK] 1388 199 A ASN CA 3 C4H1s 0.770 1.880 3.104 14.799 13.167 1.124 possible 1389 199 A ASN C 1 C3H0s 0.770 1.610 2.169 7.994 8.928 0.895 [OK] 1390 199 A ASN O 16 O1H0u 0.660 1.420 2.383 15.729 16.199 0.971 [OK] 1391 199 A ASN CB 8 C4H2s 0.770 1.880 3.393 23.748 23.128 1.027 possible 1392 199 A ASN CG 2 C3H0b 0.770 1.610 2.865 10.617 9.599 1.106 [OK] 1393 199 A ASN OD1 16 O1H0u 0.660 1.420 2.388 16.499 16.664 0.990 [OK] 1394 199 A ASN ND2 15 N3H2u 0.700 1.640 3.126 28.622 23.083 1.240 possible 1395 200 A ILE N 12 N3H1s 0.700 1.640 2.438 11.703 13.633 0.858 [OK] 1396 200 A ILE CA 3 C4H1s 0.770 1.880 2.692 12.410 13.007 0.954 [OK] 1397 200 A ILE C 1 C3H0s 0.770 1.610 2.429 7.821 8.470 0.923 [OK] 1398 200 A ILE O 16 O1H0u 0.660 1.420 2.364 15.088 16.144 0.935 [OK] 1399 200 A ILE CB 4 C4H1b 0.770 1.880 2.478 13.127 14.227 0.923 [OK] 1400 200 A ILE CG1 9 C4H2b 0.770 1.880 3.679 24.624 24.187 1.018 possible 1401 200 A ILE CG2 10 C4H3u 0.770 1.880 2.923 31.377 35.961 0.873 [OK] 1402 200 A ILE CD1 10 C4H3u 0.770 1.880 3.577 43.549 38.377 1.135 possible 1403 201 A ILE N 12 N3H1s 0.700 1.640 2.605 13.463 13.633 0.988 [OK] 1404 201 A ILE CA 3 C4H1s 0.770 1.880 2.829 12.973 13.007 0.997 [OK] 1405 201 A ILE C 1 C3H0s 0.770 1.610 2.593 8.151 8.470 0.962 [OK] 1406 201 A ILE O 16 O1H0u 0.660 1.420 2.585 15.334 16.144 0.950 [OK] 1407 201 A ILE CB 4 C4H1b 0.770 1.880 3.665 18.332 14.227 1.289 possible 1408 201 A ILE CG1 9 C4H2b 0.770 1.880 2.917 23.696 24.187 0.980 [OK] 1409 201 A ILE CG2 10 C4H3u 0.770 1.880 7.011 59.198 35.961 1.646 possible 1410 201 A ILE CD1 10 C4H3u 0.770 1.880 3.789 34.871 38.377 0.909 possible 1411 202 A THR N 12 N3H1s 0.700 1.640 2.852 15.208 13.832 1.099 [OK] 1412 202 A THR CA 3 C4H1s 0.770 1.880 3.686 16.990 13.099 1.297 possible 1413 202 A THR C 1 C3H0s 0.770 1.610 2.696 8.030 8.738 0.919 [OK] 1414 202 A THR O 16 O1H0u 0.660 1.420 2.660 16.485 16.020 1.029 [OK] 1415 202 A THR CB 4 C4H1b 0.770 1.880 2.821 14.690 14.829 0.991 [OK] 1416 202 A THR OG1 17 O2H1u 0.660 1.460 20.386 -1.000 18.123 -1.000 bad 1417 202 A THR CG2 10 C4H3u 0.770 1.880 6.139 65.015 36.542 1.779 possible 1418 203 A THR N 12 N3H1s 0.700 1.640 2.710 13.983 13.832 1.011 [OK] 1419 203 A THR CA 3 C4H1s 0.770 1.880 3.025 15.293 13.099 1.167 possible 1420 203 A THR C 1 C3H0s 0.770 1.610 2.238 7.703 8.738 0.882 [OK] 1421 203 A THR O 16 O1H0u 0.660 1.420 2.365 17.011 16.020 1.062 [OK] 1422 203 A THR CB 4 C4H1b 0.770 1.880 2.785 15.160 14.829 1.022 [OK] 1423 203 A THR OG1 17 O2H1u 0.660 1.460 2.357 15.993 18.123 0.882 [OK] 1424 203 A THR CG2 10 C4H3u 0.770 1.880 2.926 38.939 36.542 1.066 [OK] 1425 204 A PHE N 12 N3H1s 0.700 1.640 2.429 13.808 13.691 1.009 [OK] 1426 204 A PHE CA 3 C4H1s 0.770 1.880 2.951 13.675 13.449 1.017 [OK] 1427 204 A PHE C 1 C3H0s 0.770 1.610 2.160 7.883 8.753 0.901 [OK] 1428 204 A PHE O 16 O1H0u 0.660 1.420 2.826 20.710 16.151 1.282 [OK] 1429 204 A PHE CB 8 C4H2s 0.770 1.880 2.687 20.529 23.777 0.863 [OK] 1430 204 A PHE CG 2 C3H0b 0.770 1.610 2.664 9.373 9.721 0.964 [OK] 1431 204 A PHE CD1 5 C3H1s 0.770 1.760 3.261 19.810 20.405 0.971 possible 1432 204 A PHE CD2 6 C3H1b 0.770 1.760 2.851 24.231 21.051 1.151 [OK] 1433 204 A PHE CE1 6 C3H1b 0.770 1.760 3.902 27.171 21.580 1.259 possible 1434 204 A PHE CE2 6 C3H1b 0.770 1.760 2.843 22.571 21.680 1.041 [OK] 1435 204 A PHE CZ 6 C3H1b 0.770 1.760 2.819 22.464 21.666 1.037 [OK] 1436 205 A LEU N 12 N3H1s 0.700 1.640 2.421 13.214 13.655 0.968 [OK] 1437 205 A LEU CA 3 C4H1s 0.770 1.880 3.360 14.531 13.122 1.107 possible 1438 205 A LEU C 1 C3H0s 0.770 1.610 2.595 8.738 8.825 0.990 [OK] 1439 205 A LEU O 16 O1H0u 0.660 1.420 13.193 -1.000 16.208 -1.000 bad 1440 205 A LEU CB 8 C4H2s 0.770 1.880 4.412 28.700 22.951 1.250 possible 1441 205 A LEU CG 4 C4H1b 0.770 1.880 2.886 14.341 14.764 0.971 [OK] 1442 205 A LEU CD1 10 C4H3u 0.770 1.880 37.617 -1.000 37.425 -1.000 bad 1443 205 A LEU CD2 10 C4H3u 0.770 1.880 38.992 -1.000 37.143 -1.000 bad 1444 206 A ASN N 12 N3H1s 0.700 1.640 2.609 14.139 13.695 1.032 [OK] 1445 206 A ASN CA 3 C4H1s 0.770 1.880 4.516 16.530 13.167 1.255 possible 1446 206 A ASN C 1 C3H0s 0.770 1.610 4.349 10.673 8.928 1.195 possible 1447 206 A ASN O 16 O1H0u 0.660 1.420 18.573 -1.000 16.199 -1.000 bad 1448 206 A ASN CB 8 C4H2s 0.770 1.880 19.290 -1.000 23.128 -1.000 bad 1449 206 A ASN CG 2 C3H0b 0.770 1.610 2.147 -1.000 9.599 -1.000 bad 1450 206 A ASN OD1 16 O1H0u 0.660 1.420 29.359 -1.000 16.664 -1.000 bad 1451 206 A ASN ND2 15 N3H2u 0.700 1.640 28.421 -1.000 23.083 -1.000 bad 1452 207 A MET N 12 N3H1s 0.700 1.640 3.919 15.101 13.564 1.113 possible 1453 207 A MET CA 3 C4H1s 0.770 1.880 10.452 -1.000 13.231 -1.000 bad 1454 207 A MET C 1 C3H0s 0.770 1.610 3.736 11.244 8.782 1.280 possible 1455 207 A MET O 16 O1H0u 0.660 1.420 5.209 26.369 16.277 1.620 possible 1456 207 A MET CB 8 C4H2s 0.770 1.880 5.172 24.176 23.645 1.022 possible 1457 207 A MET CG 9 C4H2b 0.770 1.880 19.194 -1.000 24.009 -1.000 bad 1458 207 A MET SD 19 S2H0u 1.040 1.770 10.589 -1.000 30.093 -1.000 bad 1459 207 A MET CE 10 C4H3u 0.770 1.880 15.136 -1.000 37.161 -1.000 bad 1460 208 A ARG N 12 N3H1s 0.700 1.640 2.683 14.464 13.650 1.060 [OK] 1461 208 A ARG CA 3 C4H1s 0.770 1.880 2.679 13.442 13.422 1.001 [OK] 1462 208 A ARG C 1 C3H0s 0.770 1.610 2.793 8.790 8.838 0.995 [OK] 1463 208 A ARG O 16 O1H0u 0.660 1.420 18.591 -1.000 16.084 -1.000 bad 1464 208 A ARG CB 8 C4H2s 0.770 1.880 4.511 30.474 23.088 1.320 possible 1465 208 A ARG CG 8 C4H2s 0.770 1.880 3.019 23.910 23.640 1.011 possible 1466 208 A ARG CD 8 C4H2s 0.770 1.880 2.998 24.546 23.300 1.053 [OK] 1467 208 A ARG NE 13 N3H1b 0.700 1.640 2.901 18.297 15.569 1.175 [OK] 1468 208 A ARG CZ 2 C3H0b 0.770 1.610 4.542 11.793 9.747 1.210 possible 1469 208 A ARG NH1 15 N3H2u 0.700 1.640 12.982 -1.000 22.782 -1.000 bad 1470 208 A ARG NH2 15 N3H2u 0.700 1.640 29.586 -1.000 23.810 -1.000 bad 1471 209 A ALA N 12 N3H1s 0.700 1.640 2.691 13.733 14.046 0.978 [OK] 1472 209 A ALA CA 4 C4H1b 0.770 1.880 3.960 16.286 14.063 1.158 possible 1473 209 A ALA C 1 C3H0s 0.770 1.610 2.651 8.838 8.900 0.993 [OK] 1474 209 A ALA O 16 O1H0u 0.660 1.420 5.295 27.292 16.188 1.686 possible 1475 209 A ALA CB 10 C4H3u 0.770 1.880 5.851 72.399 36.782 1.968 possible 1476 210 A PRO N 11 N3H0u 0.700 1.640 4.561 11.251 8.823 1.275 possible 1477 210 A PRO CA 4 C4H1b 0.770 1.880 13.770 -1.000 13.955 -1.000 bad 1478 210 A PRO C 1 C3H0s 0.770 1.610 5.192 10.579 8.812 1.201 possible 1479 210 A PRO O 16 O1H0u 0.660 1.420 26.515 -1.000 16.169 -1.000 bad 1480 210 A PRO CB 9 C4H2b 0.770 1.880 38.606 -1.000 25.563 -1.000 bad 1481 210 A PRO CG 9 C4H2b 0.770 1.880 35.948 -1.000 25.832 -1.000 bad 1482 210 A PRO CD 8 C4H2s 0.770 1.880 25.856 -1.000 23.836 -1.000 bad 1483 211 A GLY N 12 N3H1s 0.700 1.640 6.135 32.541 14.854 2.191 possible 1484 211 A GLY CA 8 C4H2s 0.770 1.880 42.853 -1.000 23.688 -1.000 bad 1485 211 A GLY C 2 C3H0b 0.770 1.610 5.389 16.760 9.840 1.703 possible 1486 211 A GLY O 16 O1H0u 0.660 1.420 11.024 -1.000 16.391 -1.000 bad 1487 212 A MET N 12 N3H1s 0.700 1.640 3.821 16.330 13.564 1.204 possible 1488 212 A MET CA 3 C4H1s 0.770 1.880 3.643 15.720 13.231 1.188 possible 1489 212 A MET C 1 C3H0s 0.770 1.610 3.200 9.502 8.782 1.082 possible 1490 212 A MET O 16 O1H0u 0.660 1.420 4.188 22.622 16.277 1.390 possible 1491 212 A MET CB 8 C4H2s 0.770 1.880 3.531 20.804 23.645 0.880 possible 1492 212 A MET CG 9 C4H2b 0.770 1.880 2.745 21.483 24.009 0.895 [OK] 1493 212 A MET SD 19 S2H0u 1.040 1.770 3.899 34.851 30.093 1.158 possible 1494 212 A MET CE 10 C4H3u 0.770 1.880 5.567 72.754 37.161 1.958 possible 1495 213 A THR N 12 N3H1s 0.700 1.640 3.325 16.159 13.832 1.168 possible 1496 213 A THR CA 3 C4H1s 0.770 1.880 6.574 28.152 13.099 2.149 possible 1497 213 A THR C 1 C3H0s 0.770 1.610 2.150 8.309 8.738 0.951 [OK] 1498 213 A THR O 16 O1H0u 0.660 1.420 2.236 14.918 16.020 0.931 [OK] 1499 213 A THR CB 4 C4H1b 0.770 1.880 14.047 -1.000 14.829 -1.000 bad 1500 213 A THR OG1 17 O2H1u 0.660 1.460 7.738 41.143 18.123 2.270 possible 1501 213 A THR CG2 10 C4H3u 0.770 1.880 40.522 -1.000 36.542 -1.000 bad 1502 214 A LEU N 12 N3H1s 0.700 1.640 7.618 28.826 13.655 2.111 possible 1503 214 A LEU CA 3 C4H1s 0.770 1.880 2.729 12.643 13.122 0.963 [OK] 1504 214 A LEU C 1 C3H0s 0.770 1.610 2.462 8.115 8.825 0.920 [OK] 1505 214 A LEU O 16 O1H0u 0.660 1.420 2.480 16.509 16.208 1.019 [OK] 1506 214 A LEU CB 8 C4H2s 0.770 1.880 13.164 -1.000 22.951 -1.000 bad 1507 214 A LEU CG 4 C4H1b 0.770 1.880 2.822 15.465 14.764 1.047 [OK] 1508 214 A LEU CD1 10 C4H3u 0.770 1.880 4.276 48.086 37.425 1.285 possible 1509 214 A LEU CD2 10 C4H3u 0.770 1.880 45.191 -1.000 37.143 -1.000 bad 1510 215 A PHE N 12 N3H1s 0.700 1.640 3.665 18.116 13.691 1.323 possible 1511 215 A PHE CA 3 C4H1s 0.770 1.880 2.823 13.022 13.449 0.968 [OK] 1512 215 A PHE C 1 C3H0s 0.770 1.610 3.123 10.637 8.753 1.215 possible 1513 215 A PHE O 16 O1H0u 0.660 1.420 19.746 -1.000 16.151 -1.000 bad 1514 215 A PHE CB 8 C4H2s 0.770 1.880 22.884 -1.000 23.777 -1.000 bad 1515 215 A PHE CG 2 C3H0b 0.770 1.610 4.427 13.058 9.721 1.343 possible 1516 215 A PHE CD1 5 C3H1s 0.770 1.760 2.938 24.203 20.405 1.186 [OK] 1517 215 A PHE CD2 6 C3H1b 0.770 1.760 22.503 -1.000 21.051 -1.000 bad 1518 215 A PHE CE1 6 C3H1b 0.770 1.760 4.240 30.885 21.580 1.431 possible 1519 215 A PHE CE2 6 C3H1b 0.770 1.760 27.394 -1.000 21.680 -1.000 bad 1520 215 A PHE CZ 6 C3H1b 0.770 1.760 25.422 -1.000 21.666 -1.000 bad 1521 216 A LYS N 12 N3H1s 0.700 1.640 2.476 12.339 13.675 0.902 [OK] 1522 216 A LYS CA 3 C4H1s 0.770 1.880 5.380 19.779 13.324 1.484 possible 1523 216 A LYS C 1 C3H0s 0.770 1.610 3.175 10.712 8.759 1.223 possible 1524 216 A LYS O 16 O1H0u 0.660 1.420 5.280 59.476 16.049 3.706 possible 1525 216 A LYS CB 8 C4H2s 0.770 1.880 3.053 22.089 22.904 0.964 possible 1526 216 A LYS CG 8 C4H2s 0.770 1.880 26.190 -1.000 23.131 -1.000 bad 1527 216 A LYS CD 8 C4H2s 0.770 1.880 23.695 -1.000 23.837 -1.000 bad 1528 216 A LYS CE 9 C4H2b 0.770 1.880 23.832 -1.000 23.934 -1.000 bad 1529 216 A LYS NZ 14 N4H3u 0.700 1.640 38.845 -1.000 21.213 -1.000 bad 1530 217 A VAL N 12 N3H1s 0.700 1.640 2.367 13.223 13.676 0.967 [OK] 1531 217 A VAL CA 3 C4H1s 0.770 1.880 2.849 12.394 13.123 0.944 [OK] 1532 217 A VAL C 1 C3H0s 0.770 1.610 2.924 8.498 8.563 0.992 [OK] 1533 217 A VAL O 16 O1H0u 0.660 1.420 3.589 18.037 16.181 1.115 possible 1534 217 A VAL CB 4 C4H1b 0.770 1.880 2.879 13.759 14.598 0.943 [OK] 1535 217 A VAL CG1 10 C4H3u 0.770 1.880 2.931 31.586 36.584 0.863 [OK] 1536 217 A VAL CG2 10 C4H3u 0.770 1.880 2.980 33.544 36.332 0.923 [OK] 1537 218 A PRO N 11 N3H0u 0.700 1.640 3.100 8.756 8.823 0.992 possible 1538 218 A PRO CA 4 C4H1b 0.770 1.880 5.305 30.847 13.955 2.210 possible 1539 218 A PRO C 1 C3H0s 0.770 1.610 2.629 9.130 8.812 1.036 [OK] 1540 218 A PRO O 16 O1H0u 0.660 1.420 2.235 14.867 16.169 0.919 [OK] 1541 218 A PRO CB 9 C4H2b 0.770 1.880 4.061 26.017 25.563 1.018 possible 1542 218 A PRO CG 9 C4H2b 0.770 1.880 4.636 39.818 25.832 1.541 possible 1543 218 A PRO CD 8 C4H2s 0.770 1.880 3.277 26.174 23.836 1.098 possible 1544 219 A LEU N 12 N3H1s 0.700 1.640 4.367 20.215 13.655 1.480 possible 1545 219 A LEU CA 3 C4H1s 0.770 1.880 2.714 11.967 13.122 0.912 [OK] 1546 219 A LEU C 1 C3H0s 0.770 1.610 2.467 8.518 8.825 0.965 [OK] 1547 219 A LEU O 16 O1H0u 0.660 1.420 2.587 15.339 16.208 0.946 [OK] 1548 219 A LEU CB 8 C4H2s 0.770 1.880 3.581 25.455 22.951 1.109 possible 1549 219 A LEU CG 4 C4H1b 0.770 1.880 4.225 17.586 14.764 1.191 possible 1550 219 A LEU CD1 10 C4H3u 0.770 1.880 4.075 40.270 37.425 1.076 possible 1551 219 A LEU CD2 10 C4H3u 0.770 1.880 3.142 39.550 37.143 1.065 possible 1552 220 A PHE N 12 N3H1s 0.700 1.640 2.623 13.053 13.691 0.953 [OK] 1553 220 A PHE CA 3 C4H1s 0.770 1.880 2.508 12.000 13.449 0.892 [OK] 1554 220 A PHE C 1 C3H0s 0.770 1.610 2.388 7.595 8.753 0.868 [OK] 1555 220 A PHE O 16 O1H0u 0.660 1.420 2.631 13.865 16.151 0.858 [OK] 1556 220 A PHE CB 8 C4H2s 0.770 1.880 3.170 24.065 23.777 1.012 possible 1557 220 A PHE CG 2 C3H0b 0.770 1.610 2.738 9.686 9.721 0.996 [OK] 1558 220 A PHE CD1 5 C3H1s 0.770 1.760 2.769 18.594 20.405 0.911 [OK] 1559 220 A PHE CD2 6 C3H1b 0.770 1.760 2.956 21.969 21.051 1.044 [OK] 1560 220 A PHE CE1 6 C3H1b 0.770 1.760 3.068 20.867 21.580 0.967 possible 1561 220 A PHE CE2 6 C3H1b 0.770 1.760 2.887 21.325 21.680 0.984 [OK] 1562 220 A PHE CZ 6 C3H1b 0.770 1.760 2.992 19.916 21.666 0.919 [OK] 1563 221 A ALA N 12 N3H1s 0.700 1.640 2.757 15.315 14.046 1.090 [OK] 1564 221 A ALA CA 4 C4H1b 0.770 1.880 3.091 16.110 14.063 1.146 possible 1565 221 A ALA C 1 C3H0s 0.770 1.610 2.398 8.543 8.900 0.960 [OK] 1566 221 A ALA O 16 O1H0u 0.660 1.420 2.470 17.392 16.188 1.074 [OK] 1567 221 A ALA CB 10 C4H3u 0.770 1.880 2.983 37.601 36.782 1.022 [OK] 1568 222 A TRP N 12 N3H1s 0.700 1.640 2.564 12.820 13.791 0.930 [OK] 1569 222 A TRP CA 3 C4H1s 0.770 1.880 2.700 13.210 13.377 0.987 [OK] 1570 222 A TRP C 1 C3H0s 0.770 1.610 2.613 8.890 8.724 1.019 [OK] 1571 222 A TRP O 16 O1H0u 0.660 1.420 2.202 13.376 15.951 0.839 [OK] 1572 222 A TRP CB 8 C4H2s 0.770 1.880 3.160 25.700 24.004 1.071 possible 1573 222 A TRP CG 2 C3H0b 0.770 1.610 2.574 10.587 9.965 1.062 [OK] 1574 222 A TRP CD1 5 C3H1s 0.770 1.760 2.794 20.842 20.874 0.998 [OK] 1575 222 A TRP CD2 2 C3H0b 0.770 1.610 2.616 10.080 10.097 0.998 [OK] 1576 222 A TRP NE1 13 N3H1b 0.700 1.640 2.825 18.908 16.969 1.114 [OK] 1577 222 A TRP CE2 2 C3H0b 0.770 1.610 2.783 10.504 9.889 1.062 [OK] 1578 222 A TRP CE3 6 C3H1b 0.770 1.760 2.798 20.536 20.448 1.004 [OK] 1579 222 A TRP CZ2 6 C3H1b 0.770 1.760 3.012 24.031 21.012 1.144 possible 1580 222 A TRP CZ3 6 C3H1b 0.770 1.760 6.238 38.834 21.516 1.805 possible 1581 222 A TRP CH2 6 C3H1b 0.770 1.760 7.948 62.003 21.339 2.906 possible 1582 223 A SER N 12 N3H1s 0.700 1.640 2.569 13.209 14.103 0.937 [OK] 1583 223 A SER CA 3 C4H1s 0.770 1.880 3.115 15.932 13.476 1.182 possible 1584 223 A SER C 1 C3H0s 0.770 1.610 2.438 8.779 8.923 0.984 [OK] 1585 223 A SER O 16 O1H0u 0.660 1.420 2.677 15.386 16.179 0.951 [OK] 1586 223 A SER CB 8 C4H2s 0.770 1.880 2.887 21.084 23.884 0.883 [OK] 1587 223 A SER OG 17 O2H1u 0.660 1.460 2.265 16.647 18.732 0.889 [OK] 1588 224 A VAL N 12 N3H1s 0.700 1.640 2.379 12.542 13.676 0.917 [OK] 1589 224 A VAL CA 3 C4H1s 0.770 1.880 2.880 14.321 13.123 1.091 [OK] 1590 224 A VAL C 1 C3H0s 0.770 1.610 2.252 7.706 8.563 0.900 [OK] 1591 224 A VAL O 16 O1H0u 0.660 1.420 2.284 14.600 16.181 0.902 [OK] 1592 224 A VAL CB 4 C4H1b 0.770 1.880 3.087 15.445 14.598 1.058 possible 1593 224 A VAL CG1 10 C4H3u 0.770 1.880 3.245 36.481 36.584 0.997 possible 1594 224 A VAL CG2 10 C4H3u 0.770 1.880 3.086 37.387 36.332 1.029 possible 1595 225 A PHE N 12 N3H1s 0.700 1.640 2.649 13.421 13.691 0.980 [OK] 1596 225 A PHE CA 3 C4H1s 0.770 1.880 2.745 13.912 13.449 1.034 [OK] 1597 225 A PHE C 1 C3H0s 0.770 1.610 2.315 7.954 8.753 0.909 [OK] 1598 225 A PHE O 16 O1H0u 0.660 1.420 2.471 15.617 16.151 0.967 [OK] 1599 225 A PHE CB 8 C4H2s 0.770 1.880 2.794 22.020 23.777 0.926 [OK] 1600 225 A PHE CG 2 C3H0b 0.770 1.610 2.238 9.145 9.721 0.941 [OK] 1601 225 A PHE CD1 5 C3H1s 0.770 1.760 2.777 20.255 20.405 0.993 [OK] 1602 225 A PHE CD2 6 C3H1b 0.770 1.760 3.010 19.754 21.051 0.938 possible 1603 225 A PHE CE1 6 C3H1b 0.770 1.760 2.717 19.792 21.580 0.917 [OK] 1604 225 A PHE CE2 6 C3H1b 0.770 1.760 13.902 -1.000 21.680 -1.000 bad 1605 225 A PHE CZ 6 C3H1b 0.770 1.760 5.998 29.720 21.666 1.372 possible 1606 226 A ILE N 12 N3H1s 0.700 1.640 2.350 11.721 13.633 0.860 [OK] 1607 226 A ILE CA 3 C4H1s 0.770 1.880 3.301 14.081 13.007 1.083 possible 1608 226 A ILE C 1 C3H0s 0.770 1.610 2.506 7.991 8.470 0.943 [OK] 1609 226 A ILE O 16 O1H0u 0.660 1.420 2.785 15.333 16.144 0.950 [OK] 1610 226 A ILE CB 4 C4H1b 0.770 1.880 3.115 15.039 14.227 1.057 possible 1611 226 A ILE CG1 9 C4H2b 0.770 1.880 4.937 30.249 24.187 1.251 possible 1612 226 A ILE CG2 10 C4H3u 0.770 1.880 5.150 59.517 35.961 1.655 possible 1613 226 A ILE CD1 10 C4H3u 0.770 1.880 3.860 44.131 38.377 1.150 possible 1614 227 A THR N 12 N3H1s 0.700 1.640 2.476 13.129 13.832 0.949 [OK] 1615 227 A THR CA 3 C4H1s 0.770 1.880 2.879 14.392 13.099 1.099 [OK] 1616 227 A THR C 1 C3H0s 0.770 1.610 2.233 7.399 8.738 0.847 [OK] 1617 227 A THR O 16 O1H0u 0.660 1.420 2.252 13.395 16.020 0.836 [OK] 1618 227 A THR CB 4 C4H1b 0.770 1.880 2.833 13.505 14.829 0.911 [OK] 1619 227 A THR OG1 17 O2H1u 0.660 1.460 2.530 18.217 18.123 1.005 [OK] 1620 227 A THR CG2 10 C4H3u 0.770 1.880 3.221 33.726 36.542 0.923 possible 1621 228 A ALA N 12 N3H1s 0.700 1.640 2.299 12.596 14.046 0.897 [OK] 1622 228 A ALA CA 4 C4H1b 0.770 1.880 2.554 13.577 14.063 0.965 [OK] 1623 228 A ALA C 1 C3H0s 0.770 1.610 2.181 8.187 8.900 0.920 [OK] 1624 228 A ALA O 16 O1H0u 0.660 1.420 2.460 15.904 16.188 0.982 [OK] 1625 228 A ALA CB 10 C4H3u 0.770 1.880 2.940 31.526 36.782 0.857 [OK] 1626 229 A TRP N 12 N3H1s 0.700 1.640 2.450 12.619 13.791 0.915 [OK] 1627 229 A TRP CA 3 C4H1s 0.770 1.880 2.832 13.775 13.377 1.030 [OK] 1628 229 A TRP C 1 C3H0s 0.770 1.610 2.769 8.670 8.724 0.994 [OK] 1629 229 A TRP O 16 O1H0u 0.660 1.420 2.877 16.989 15.951 1.065 [OK] 1630 229 A TRP CB 8 C4H2s 0.770 1.880 4.756 39.249 24.004 1.635 possible 1631 229 A TRP CG 2 C3H0b 0.770 1.610 5.241 16.444 9.965 1.650 possible 1632 229 A TRP CD1 5 C3H1s 0.770 1.760 7.841 33.103 20.874 1.586 possible 1633 229 A TRP CD2 2 C3H0b 0.770 1.610 1.675 -1.000 10.097 -1.000 bad 1634 229 A TRP NE1 13 N3H1b 0.700 1.640 2.399 -1.000 16.969 -1.000 bad 1635 229 A TRP CE2 2 C3H0b 0.770 1.610 1.450 -1.000 9.889 -1.000 bad 1636 229 A TRP CE3 6 C3H1b 0.770 1.760 12.519 -1.000 20.448 -1.000 bad 1637 229 A TRP CZ2 6 C3H1b 0.770 1.760 10.794 -1.000 21.012 -1.000 bad 1638 229 A TRP CZ3 6 C3H1b 0.770 1.760 29.685 -1.000 21.516 -1.000 bad 1639 229 A TRP CH2 6 C3H1b 0.770 1.760 27.155 -1.000 21.339 -1.000 bad 1640 230 A LEU N 12 N3H1s 0.700 1.640 2.865 12.726 13.655 0.932 [OK] 1641 230 A LEU CA 3 C4H1s 0.770 1.880 2.762 13.453 13.122 1.025 [OK] 1642 230 A LEU C 1 C3H0s 0.770 1.610 2.168 7.975 8.825 0.904 [OK] 1643 230 A LEU O 16 O1H0u 0.660 1.420 2.357 14.930 16.208 0.921 [OK] 1644 230 A LEU CB 8 C4H2s 0.770 1.880 2.938 21.230 22.951 0.925 [OK] 1645 230 A LEU CG 4 C4H1b 0.770 1.880 2.755 14.033 14.764 0.950 [OK] 1646 230 A LEU CD1 10 C4H3u 0.770 1.880 3.522 40.781 37.425 1.090 possible 1647 230 A LEU CD2 10 C4H3u 0.770 1.880 3.982 45.326 37.143 1.220 possible 1648 231 A ILE N 12 N3H1s 0.700 1.640 2.250 12.072 13.633 0.885 [OK] 1649 231 A ILE CA 3 C4H1s 0.770 1.880 3.061 13.237 13.007 1.018 possible 1650 231 A ILE C 1 C3H0s 0.770 1.610 2.513 7.781 8.470 0.919 [OK] 1651 231 A ILE O 16 O1H0u 0.660 1.420 2.491 16.247 16.144 1.006 [OK] 1652 231 A ILE CB 4 C4H1b 0.770 1.880 2.660 13.171 14.227 0.926 [OK] 1653 231 A ILE CG1 9 C4H2b 0.770 1.880 3.734 23.463 24.187 0.970 possible 1654 231 A ILE CG2 10 C4H3u 0.770 1.880 3.211 33.546 35.961 0.933 possible 1655 231 A ILE CD1 10 C4H3u 0.770 1.880 3.706 41.592 38.377 1.084 possible 1656 232 A LEU N 12 N3H1s 0.700 1.640 2.475 12.886 13.655 0.944 [OK] 1657 232 A LEU CA 3 C4H1s 0.770 1.880 3.204 14.465 13.122 1.102 possible 1658 232 A LEU C 1 C3H0s 0.770 1.610 3.184 9.211 8.825 1.044 possible 1659 232 A LEU O 16 O1H0u 0.660 1.420 11.413 -1.000 16.208 -1.000 bad 1660 232 A LEU CB 8 C4H2s 0.770 1.880 7.010 47.913 22.951 2.088 possible 1661 232 A LEU CG 4 C4H1b 0.770 1.880 2.854 13.981 14.764 0.947 [OK] 1662 232 A LEU CD1 10 C4H3u 0.770 1.880 18.809 -1.000 37.425 -1.000 bad 1663 232 A LEU CD2 10 C4H3u 0.770 1.880 5.470 46.595 37.143 1.254 possible 1664 233 A LEU N 12 N3H1s 0.700 1.640 2.564 12.920 13.655 0.946 [OK] 1665 233 A LEU CA 3 C4H1s 0.770 1.880 4.454 16.247 13.122 1.238 possible 1666 233 A LEU C 1 C3H0s 0.770 1.610 2.347 8.786 8.825 0.996 [OK] 1667 233 A LEU O 16 O1H0u 0.660 1.420 5.033 36.101 16.208 2.227 possible 1668 233 A LEU CB 8 C4H2s 0.770 1.880 3.778 22.910 22.951 0.998 possible 1669 233 A LEU CG 4 C4H1b 0.770 1.880 4.071 19.475 14.764 1.319 possible 1670 233 A LEU CD1 10 C4H3u 0.770 1.880 7.292 99.668 37.425 2.663 possible 1671 233 A LEU CD2 10 C4H3u 0.770 1.880 62.961 -1.000 37.143 -1.000 bad 1672 234 A SER N 12 N3H1s 0.700 1.640 2.246 13.192 14.103 0.935 [OK] 1673 234 A SER CA 3 C4H1s 0.770 1.880 3.251 16.655 13.476 1.236 possible 1674 234 A SER C 1 C3H0s 0.770 1.610 2.355 8.710 8.923 0.976 [OK] 1675 234 A SER O 16 O1H0u 0.660 1.420 2.730 15.720 16.179 0.972 [OK] 1676 234 A SER CB 8 C4H2s 0.770 1.880 3.177 26.510 23.884 1.110 possible 1677 234 A SER OG 17 O2H1u 0.660 1.460 2.768 20.441 18.732 1.091 [OK] 1678 235 A LEU N 12 N3H1s 0.700 1.640 2.300 11.715 13.655 0.858 [OK] 1679 235 A LEU CA 3 C4H1s 0.770 1.880 2.990 12.023 13.122 0.916 [OK] 1680 235 A LEU C 1 C3H0s 0.770 1.610 2.731 8.682 8.825 0.984 [OK] 1681 235 A LEU O 16 O1H0u 0.660 1.420 3.227 19.934 16.208 1.230 possible 1682 235 A LEU CB 8 C4H2s 0.770 1.880 3.541 27.045 22.951 1.178 possible 1683 235 A LEU CG 4 C4H1b 0.770 1.880 3.232 14.510 14.764 0.983 possible 1684 235 A LEU CD1 10 C4H3u 0.770 1.880 4.162 42.645 37.425 1.139 possible 1685 235 A LEU CD2 10 C4H3u 0.770 1.880 4.093 47.748 37.143 1.286 possible 1686 236 A PRO N 11 N3H0u 0.700 1.640 2.830 8.449 8.823 0.958 [OK] 1687 236 A PRO CA 4 C4H1b 0.770 1.880 5.998 26.427 13.955 1.894 possible 1688 236 A PRO C 1 C3H0s 0.770 1.610 4.304 9.499 8.812 1.078 possible 1689 236 A PRO O 16 O1H0u 0.660 1.420 7.984 -1.000 16.169 -1.000 bad 1690 236 A PRO CB 9 C4H2b 0.770 1.880 31.016 -1.000 25.563 -1.000 bad 1691 236 A PRO CG 9 C4H2b 0.770 1.880 18.007 -1.000 25.832 -1.000 bad 1692 236 A PRO CD 8 C4H2s 0.770 1.880 2.953 23.201 23.836 0.973 [OK] 1693 237 A VAL N 12 N3H1s 0.700 1.640 3.849 14.562 13.676 1.065 possible 1694 237 A VAL CA 3 C4H1s 0.770 1.880 5.961 24.620 13.123 1.876 possible 1695 237 A VAL C 1 C3H0s 0.770 1.610 2.726 7.875 8.563 0.920 [OK] 1696 237 A VAL O 16 O1H0u 0.660 1.420 3.896 18.894 16.181 1.168 possible 1697 237 A VAL CB 4 C4H1b 0.770 1.880 3.140 15.356 14.598 1.052 possible 1698 237 A VAL CG1 10 C4H3u 0.770 1.880 5.105 52.388 36.584 1.432 possible 1699 237 A VAL CG2 10 C4H3u 0.770 1.880 31.914 -1.000 36.332 -1.000 bad 1700 238 A LEU N 12 N3H1s 0.700 1.640 2.839 13.435 13.655 0.984 [OK] 1701 238 A LEU CA 3 C4H1s 0.770 1.880 3.247 15.494 13.122 1.181 possible 1702 238 A LEU C 1 C3H0s 0.770 1.610 2.528 7.493 8.825 0.849 [OK] 1703 238 A LEU O 16 O1H0u 0.660 1.420 2.348 13.153 16.208 0.811 [OK] 1704 238 A LEU CB 8 C4H2s 0.770 1.880 3.113 21.694 22.951 0.945 possible 1705 238 A LEU CG 4 C4H1b 0.770 1.880 3.402 15.134 14.764 1.025 possible 1706 238 A LEU CD1 10 C4H3u 0.770 1.880 3.933 40.214 37.425 1.075 possible 1707 238 A LEU CD2 10 C4H3u 0.770 1.880 3.820 46.960 37.143 1.264 possible 1708 239 A ALA N 12 N3H1s 0.700 1.640 3.544 14.111 14.046 1.005 possible 1709 239 A ALA CA 4 C4H1b 0.770 1.880 3.820 15.756 14.063 1.120 possible 1710 239 A ALA C 1 C3H0s 0.770 1.610 4.095 9.253 8.900 1.040 possible 1711 239 A ALA O 16 O1H0u 0.660 1.420 3.201 14.479 16.188 0.894 possible 1712 239 A ALA CB 10 C4H3u 0.770 1.880 31.150 -1.000 36.782 -1.000 bad 1713 240 A GLY N 12 N3H1s 0.700 1.640 4.821 15.622 14.854 1.052 possible 1714 240 A GLY CA 8 C4H2s 0.770 1.880 26.530 -1.000 23.688 -1.000 bad 1715 240 A GLY C 2 C3H0b 0.770 1.610 2.950 9.028 9.840 0.918 [OK] 1716 240 A GLY O 16 O1H0u 0.660 1.420 4.966 19.675 16.391 1.200 possible 1717 241 A ALA N 12 N3H1s 0.700 1.640 2.980 13.381 14.046 0.953 [OK] 1718 241 A ALA CA 4 C4H1b 0.770 1.880 3.170 15.289 14.063 1.087 possible 1719 241 A ALA C 1 C3H0s 0.770 1.610 2.535 8.536 8.900 0.959 [OK] 1720 241 A ALA O 16 O1H0u 0.660 1.420 2.499 17.005 16.188 1.050 [OK] 1721 241 A ALA CB 10 C4H3u 0.770 1.880 3.193 40.628 36.782 1.105 possible 1722 242 A ILE N 12 N3H1s 0.700 1.640 2.730 12.752 13.633 0.935 [OK] 1723 242 A ILE CA 3 C4H1s 0.770 1.880 2.924 13.997 13.007 1.076 [OK] 1724 242 A ILE C 1 C3H0s 0.770 1.610 2.324 8.174 8.470 0.965 [OK] 1725 242 A ILE O 16 O1H0u 0.660 1.420 2.558 14.330 16.144 0.888 [OK] 1726 242 A ILE CB 4 C4H1b 0.770 1.880 3.210 16.217 14.227 1.140 possible 1727 242 A ILE CG1 9 C4H2b 0.770 1.880 2.731 20.238 24.187 0.837 [OK] 1728 242 A ILE CG2 10 C4H3u 0.770 1.880 3.843 44.121 35.961 1.227 possible 1729 242 A ILE CD1 10 C4H3u 0.770 1.880 3.772 34.614 38.377 0.902 possible 1730 243 A THR N 12 N3H1s 0.700 1.640 2.319 12.094 13.832 0.874 [OK] 1731 243 A THR CA 3 C4H1s 0.770 1.880 2.665 11.917 13.099 0.910 [OK] 1732 243 A THR C 1 C3H0s 0.770 1.610 2.361 7.692 8.738 0.880 [OK] 1733 243 A THR O 16 O1H0u 0.660 1.420 2.607 12.460 16.020 0.778 [OK] 1734 243 A THR CB 4 C4H1b 0.770 1.880 4.091 17.236 14.829 1.162 possible 1735 243 A THR OG1 17 O2H1u 0.660 1.460 7.744 -1.000 18.123 -1.000 bad 1736 243 A THR CG2 10 C4H3u 0.770 1.880 35.128 -1.000 36.542 -1.000 bad 1737 244 A MET N 12 N3H1s 0.700 1.640 2.977 13.650 13.564 1.006 [OK] 1738 244 A MET CA 3 C4H1s 0.770 1.880 3.032 13.508 13.231 1.021 possible 1739 244 A MET C 1 C3H0s 0.770 1.610 2.284 8.451 8.782 0.962 [OK] 1740 244 A MET O 16 O1H0u 0.660 1.420 2.493 16.970 16.277 1.043 [OK] 1741 244 A MET CB 8 C4H2s 0.770 1.880 2.799 20.834 23.645 0.881 [OK] 1742 244 A MET CG 9 C4H2b 0.770 1.880 5.768 39.693 24.009 1.653 possible 1743 244 A MET SD 19 S2H0u 1.040 1.770 6.567 58.914 30.093 1.958 possible 1744 244 A MET CE 10 C4H3u 0.770 1.880 29.258 -1.000 37.161 -1.000 bad 1745 245 A LEU N 12 N3H1s 0.700 1.640 2.443 12.949 13.655 0.948 [OK] 1746 245 A LEU CA 3 C4H1s 0.770 1.880 2.893 12.511 13.122 0.953 [OK] 1747 245 A LEU C 1 C3H0s 0.770 1.610 2.497 8.699 8.825 0.986 [OK] 1748 245 A LEU O 16 O1H0u 0.660 1.420 2.461 14.751 16.208 0.910 [OK] 1749 245 A LEU CB 8 C4H2s 0.770 1.880 3.051 22.184 22.951 0.967 possible 1750 245 A LEU CG 4 C4H1b 0.770 1.880 2.722 14.699 14.764 0.996 [OK] 1751 245 A LEU CD1 10 C4H3u 0.770 1.880 3.062 37.429 37.425 1.000 possible 1752 245 A LEU CD2 10 C4H3u 0.770 1.880 3.023 32.763 37.143 0.882 possible 1753 246 A LEU N 12 N3H1s 0.700 1.640 2.356 12.475 13.655 0.914 [OK] 1754 246 A LEU CA 3 C4H1s 0.770 1.880 2.818 12.747 13.122 0.971 [OK] 1755 246 A LEU C 1 C3H0s 0.770 1.610 2.684 8.756 8.825 0.992 [OK] 1756 246 A LEU O 16 O1H0u 0.660 1.420 2.623 15.130 16.208 0.934 [OK] 1757 246 A LEU CB 8 C4H2s 0.770 1.880 3.109 22.632 22.951 0.986 possible 1758 246 A LEU CG 4 C4H1b 0.770 1.880 3.834 19.740 14.764 1.337 possible 1759 246 A LEU CD1 10 C4H3u 0.770 1.880 6.090 70.568 37.425 1.886 possible 1760 246 A LEU CD2 10 C4H3u 0.770 1.880 4.052 34.172 37.143 0.920 possible 1761 247 A MET N 12 N3H1s 0.700 1.640 2.836 13.002 13.564 0.959 [OK] 1762 247 A MET CA 3 C4H1s 0.770 1.880 2.930 14.939 13.231 1.129 [OK] 1763 247 A MET C 1 C3H0s 0.770 1.610 2.170 7.578 8.782 0.863 [OK] 1764 247 A MET O 16 O1H0u 0.660 1.420 2.492 15.540 16.277 0.955 [OK] 1765 247 A MET CB 8 C4H2s 0.770 1.880 3.102 20.939 23.645 0.886 possible 1766 247 A MET CG 9 C4H2b 0.770 1.880 3.232 21.759 24.009 0.906 possible 1767 247 A MET SD 19 S2H0u 1.040 1.770 7.883 69.961 30.093 2.325 possible 1768 247 A MET CE 10 C4H3u 0.770 1.880 45.622 -1.000 37.161 -1.000 bad 1769 248 A ASP N 12 N3H1s 0.700 1.640 2.396 12.496 13.895 0.899 [OK] 1770 248 A ASP CA 3 C4H1s 0.770 1.880 2.429 12.269 13.377 0.917 [OK] 1771 248 A ASP C 1 C3H0s 0.770 1.610 2.484 8.763 8.816 0.994 [OK] 1772 248 A ASP O 16 O1H0u 0.660 1.420 7.544 65.589 16.091 4.076 possible 1773 248 A ASP CB 8 C4H2s 0.770 1.880 3.723 25.606 23.481 1.090 possible 1774 248 A ASP CG 2 C3H0b 0.770 1.610 2.624 9.995 9.422 1.061 [OK] 1775 248 A ASP OD1 16 O1H0u 0.660 1.420 2.362 14.744 15.505 0.951 [OK] 1776 248 A ASP OD2 16 O1H0u 0.660 1.420 3.372 22.923 16.324 1.404 possible 1777 249 A ARG N 12 N3H1s 0.700 1.640 2.441 12.984 13.650 0.951 [OK] 1778 249 A ARG CA 3 C4H1s 0.770 1.880 4.616 18.264 13.422 1.361 possible 1779 249 A ARG C 1 C3H0s 0.770 1.610 3.147 10.409 8.838 1.178 possible 1780 249 A ARG O 16 O1H0u 0.660 1.420 28.055 -1.000 16.084 -1.000 bad 1781 249 A ARG CB 8 C4H2s 0.770 1.880 4.375 30.822 23.088 1.335 possible 1782 249 A ARG CG 8 C4H2s 0.770 1.880 3.241 22.312 23.640 0.944 possible 1783 249 A ARG CD 8 C4H2s 0.770 1.880 3.051 27.963 23.300 1.200 possible 1784 249 A ARG NE 13 N3H1b 0.700 1.640 3.149 15.592 15.569 1.001 possible 1785 249 A ARG CZ 2 C3H0b 0.770 1.610 3.856 11.225 9.747 1.152 possible 1786 249 A ARG NH1 15 N3H2u 0.700 1.640 3.925 24.298 22.782 1.067 possible 1787 249 A ARG NH2 15 N3H2u 0.700 1.640 4.327 37.191 23.810 1.562 possible 1788 250 A ASN N 12 N3H1s 0.700 1.640 2.869 13.681 13.695 0.999 [OK] 1789 250 A ASN CA 3 C4H1s 0.770 1.880 4.412 16.524 13.167 1.255 possible 1790 250 A ASN C 1 C3H0s 0.770 1.610 3.243 9.256 8.928 1.037 possible 1791 250 A ASN O 16 O1H0u 0.660 1.420 32.271 -1.000 16.199 -1.000 bad 1792 250 A ASN CB 8 C4H2s 0.770 1.880 6.157 34.391 23.128 1.487 possible 1793 250 A ASN CG 2 C3H0b 0.770 1.610 5.213 14.419 9.599 1.502 possible 1794 250 A ASN OD1 16 O1H0u 0.660 1.420 26.124 -1.000 16.664 -1.000 bad 1795 250 A ASN ND2 15 N3H2u 0.700 1.640 4.518 32.042 23.083 1.388 possible 1796 251 A PHE N 12 N3H1s 0.700 1.640 2.537 12.671 13.691 0.925 [OK] 1797 251 A PHE CA 3 C4H1s 0.770 1.880 6.902 -1.000 13.449 -1.000 bad 1798 251 A PHE C 1 C3H0s 0.770 1.610 7.392 18.142 8.753 2.073 possible 1799 251 A PHE O 16 O1H0u 0.660 1.420 20.041 -1.000 16.151 -1.000 bad 1800 251 A PHE CB 8 C4H2s 0.770 1.880 17.027 -1.000 23.777 -1.000 bad 1801 251 A PHE CG 2 C3H0b 0.770 1.610 0.653 -1.000 9.721 -1.000 bad 1802 251 A PHE CD1 5 C3H1s 0.770 1.760 13.245 -1.000 20.405 -1.000 bad 1803 251 A PHE CD2 6 C3H1b 0.770 1.760 9.419 -1.000 21.051 -1.000 bad 1804 251 A PHE CE1 6 C3H1b 0.770 1.760 24.544 -1.000 21.580 -1.000 bad 1805 251 A PHE CE2 6 C3H1b 0.770 1.760 21.516 -1.000 21.680 -1.000 bad 1806 251 A PHE CZ 6 C3H1b 0.770 1.760 25.261 -1.000 21.666 -1.000 bad 1807 252 A GLY N 12 N3H1s 0.700 1.640 6.035 27.427 14.854 1.846 possible 1808 252 A GLY CA 8 C4H2s 0.770 1.880 36.959 -1.000 23.688 -1.000 bad 1809 252 A GLY C 2 C3H0b 0.770 1.610 3.554 10.791 9.840 1.097 possible 1810 252 A GLY O 16 O1H0u 0.660 1.420 23.623 -1.000 16.391 -1.000 bad 1811 253 A THR N 12 N3H1s 0.700 1.640 2.869 14.866 13.832 1.075 [OK] 1812 253 A THR CA 3 C4H1s 0.770 1.880 5.668 18.270 13.099 1.395 possible 1813 253 A THR C 1 C3H0s 0.770 1.610 2.475 8.689 8.738 0.994 [OK] 1814 253 A THR O 16 O1H0u 0.660 1.420 3.898 22.903 16.020 1.430 possible 1815 253 A THR CB 4 C4H1b 0.770 1.880 3.426 15.325 14.829 1.033 possible 1816 253 A THR OG1 17 O2H1u 0.660 1.460 2.744 16.985 18.123 0.937 [OK] 1817 253 A THR CG2 10 C4H3u 0.770 1.880 37.842 -1.000 36.542 -1.000 bad 1818 254 A GLN N 12 N3H1s 0.700 1.640 7.171 40.848 13.616 3.000 possible 1819 254 A GLN CA 3 C4H1s 0.770 1.880 2.852 13.200 13.334 0.990 [OK] 1820 254 A GLN C 1 C3H0s 0.770 1.610 4.074 11.449 8.787 1.303 possible 1821 254 A GLN O 16 O1H0u 0.660 1.420 5.886 39.514 15.993 2.471 possible 1822 254 A GLN CB 8 C4H2s 0.770 1.880 5.290 30.454 23.275 1.308 possible 1823 254 A GLN CG 8 C4H2s 0.770 1.880 4.797 33.047 23.465 1.408 possible 1824 254 A GLN CD 2 C3H0b 0.770 1.610 5.080 13.301 9.659 1.377 possible 1825 254 A GLN OE1 16 O1H0u 0.660 1.420 17.272 -1.000 17.091 -1.000 bad 1826 254 A GLN NE2 15 N3H2u 0.700 1.640 41.896 -1.000 24.150 -1.000 bad 1827 255 A PHE N 12 N3H1s 0.700 1.640 3.051 13.902 13.691 1.015 possible 1828 255 A PHE CA 3 C4H1s 0.770 1.880 4.946 19.573 13.449 1.455 possible 1829 255 A PHE C 1 C3H0s 0.770 1.610 2.275 8.263 8.753 0.944 [OK] 1830 255 A PHE O 16 O1H0u 0.660 1.420 4.859 29.671 16.151 1.837 possible 1831 255 A PHE CB 8 C4H2s 0.770 1.880 3.368 24.681 23.777 1.038 possible 1832 255 A PHE CG 2 C3H0b 0.770 1.610 2.954 10.612 9.721 1.092 [OK] 1833 255 A PHE CD1 5 C3H1s 0.770 1.760 18.633 -1.000 20.405 -1.000 bad 1834 255 A PHE CD2 6 C3H1b 0.770 1.760 2.646 17.965 21.051 0.853 [OK] 1835 255 A PHE CE1 6 C3H1b 0.770 1.760 31.779 -1.000 21.580 -1.000 bad 1836 255 A PHE CE2 6 C3H1b 0.770 1.760 3.045 20.468 21.680 0.944 possible 1837 255 A PHE CZ 6 C3H1b 0.770 1.760 14.735 -1.000 21.666 -1.000 bad 1838 256 A PHE N 12 N3H1s 0.700 1.640 2.382 11.915 13.691 0.870 [OK] 1839 256 A PHE CA 3 C4H1s 0.770 1.880 2.588 13.448 13.449 1.000 [OK] 1840 256 A PHE C 1 C3H0s 0.770 1.610 2.602 10.650 8.753 1.217 [OK] 1841 256 A PHE O 16 O1H0u 0.660 1.420 3.099 23.322 16.151 1.444 possible 1842 256 A PHE CB 8 C4H2s 0.770 1.880 3.100 23.052 23.777 0.969 possible 1843 256 A PHE CG 2 C3H0b 0.770 1.610 2.407 9.020 9.721 0.928 [OK] 1844 256 A PHE CD1 5 C3H1s 0.770 1.760 2.767 18.615 20.405 0.912 [OK] 1845 256 A PHE CD2 6 C3H1b 0.770 1.760 2.854 22.270 21.051 1.058 [OK] 1846 256 A PHE CE1 6 C3H1b 0.770 1.760 3.108 21.487 21.580 0.996 possible 1847 256 A PHE CE2 6 C3H1b 0.770 1.760 2.727 20.558 21.680 0.948 [OK] 1848 256 A PHE CZ 6 C3H1b 0.770 1.760 3.016 23.243 21.666 1.073 possible 1849 257 A ASP N 12 N3H1s 0.700 1.640 2.570 15.044 13.895 1.083 [OK] 1850 257 A ASP CA 3 C4H1s 0.770 1.880 3.271 12.271 13.377 0.917 possible 1851 257 A ASP C 1 C3H0s 0.770 1.610 2.302 8.133 8.816 0.923 [OK] 1852 257 A ASP O 16 O1H0u 0.660 1.420 2.357 14.049 16.091 0.873 [OK] 1853 257 A ASP CB 8 C4H2s 0.770 1.880 4.164 33.990 23.481 1.448 possible 1854 257 A ASP CG 2 C3H0b 0.770 1.610 4.156 14.245 9.422 1.512 possible 1855 257 A ASP OD1 16 O1H0u 0.660 1.420 6.090 49.759 15.505 3.209 possible 1856 257 A ASP OD2 16 O1H0u 0.660 1.420 20.074 -1.000 16.324 -1.000 bad 1857 258 A PRO N 11 N3H0u 0.700 1.640 2.574 8.496 8.823 0.963 [OK] 1858 258 A PRO CA 4 C4H1b 0.770 1.880 3.836 14.647 13.955 1.050 possible 1859 258 A PRO C 1 C3H0s 0.770 1.610 4.280 9.604 8.812 1.090 possible 1860 258 A PRO O 16 O1H0u 0.660 1.420 17.833 -1.000 16.169 -1.000 bad 1861 258 A PRO CB 9 C4H2b 0.770 1.880 4.774 31.832 25.563 1.245 possible 1862 258 A PRO CG 9 C4H2b 0.770 1.880 4.912 41.542 25.832 1.608 possible 1863 258 A PRO CD 8 C4H2s 0.770 1.880 3.772 26.736 23.836 1.122 possible 1864 259 A ALA N 12 N3H1s 0.700 1.640 4.632 16.485 14.046 1.174 possible 1865 259 A ALA CA 4 C4H1b 0.770 1.880 13.791 -1.000 14.063 -1.000 bad 1866 259 A ALA C 1 C3H0s 0.770 1.610 3.343 9.201 8.900 1.034 possible 1867 259 A ALA O 16 O1H0u 0.660 1.420 33.000 -1.000 16.188 -1.000 bad 1868 259 A ALA CB 10 C4H3u 0.770 1.880 48.197 -1.000 36.782 -1.000 bad 1869 260 A GLY N 12 N3H1s 0.700 1.640 2.836 14.834 14.854 0.999 [OK] 1870 260 A GLY CA 8 C4H2s 0.770 1.880 7.650 38.826 23.688 1.639 possible 1871 260 A GLY C 2 C3H0b 0.770 1.610 6.400 16.174 9.840 1.644 possible 1872 260 A GLY O 16 O1H0u 0.660 1.420 24.351 -1.000 16.391 -1.000 bad 1873 261 A GLY N 12 N3H1s 0.700 1.640 6.169 21.046 14.854 1.417 possible 1874 261 A GLY CA 8 C4H2s 0.770 1.880 35.377 -1.000 23.688 -1.000 bad 1875 261 A GLY C 2 C3H0b 0.770 1.610 5.227 14.355 9.840 1.459 possible 1876 261 A GLY O 16 O1H0u 0.660 1.420 35.688 -1.000 16.391 -1.000 bad 1877 262 A GLY N 12 N3H1s 0.700 1.640 3.032 14.051 14.854 0.946 possible 1878 262 A GLY CA 8 C4H2s 0.770 1.880 3.907 24.237 23.688 1.023 possible 1879 262 A GLY C 2 C3H0b 0.770 1.610 3.944 12.481 9.840 1.268 possible 1880 262 A GLY O 16 O1H0u 0.660 1.420 5.188 34.954 16.391 2.132 possible 1881 263 A ASP N 12 N3H1s 0.700 1.640 4.650 22.200 13.895 1.598 possible 1882 263 A ASP CA 3 C4H1s 0.770 1.880 3.203 12.356 13.377 0.924 possible 1883 263 A ASP C 1 C3H0s 0.770 1.610 2.344 8.316 8.816 0.943 [OK] 1884 263 A ASP O 16 O1H0u 0.660 1.420 2.668 16.169 16.091 1.005 [OK] 1885 263 A ASP CB 8 C4H2s 0.770 1.880 26.333 -1.000 23.481 -1.000 bad 1886 263 A ASP CG 2 C3H0b 0.770 1.610 5.071 13.535 9.422 1.436 possible 1887 263 A ASP OD1 16 O1H0u 0.660 1.420 3.741 21.564 15.505 1.391 possible 1888 263 A ASP OD2 16 O1H0u 0.660 1.420 11.624 -1.000 16.324 -1.000 bad 1889 264 A PRO N 11 N3H0u 0.700 1.640 2.546 8.218 8.823 0.931 [OK] 1890 264 A PRO CA 4 C4H1b 0.770 1.880 2.619 14.008 13.955 1.004 [OK] 1891 264 A PRO C 1 C3H0s 0.770 1.610 2.532 8.503 8.812 0.965 [OK] 1892 264 A PRO O 16 O1H0u 0.660 1.420 2.211 13.471 16.169 0.833 [OK] 1893 264 A PRO CB 9 C4H2b 0.770 1.880 2.888 23.895 25.563 0.935 [OK] 1894 264 A PRO CG 9 C4H2b 0.770 1.880 2.926 26.930 25.832 1.042 [OK] 1895 264 A PRO CD 8 C4H2s 0.770 1.880 3.511 28.640 23.836 1.202 possible 1896 265 A VAL N 12 N3H1s 0.700 1.640 2.617 14.222 13.676 1.040 [OK] 1897 265 A VAL CA 3 C4H1s 0.770 1.880 2.514 12.429 13.123 0.947 [OK] 1898 265 A VAL C 1 C3H0s 0.770 1.610 2.539 7.775 8.563 0.908 [OK] 1899 265 A VAL O 16 O1H0u 0.660 1.420 2.282 13.293 16.181 0.821 [OK] 1900 265 A VAL CB 4 C4H1b 0.770 1.880 2.612 13.332 14.598 0.913 [OK] 1901 265 A VAL CG1 10 C4H3u 0.770 1.880 3.796 47.831 36.584 1.307 possible 1902 265 A VAL CG2 10 C4H3u 0.770 1.880 3.038 38.416 36.332 1.057 possible 1903 266 A LEU N 12 N3H1s 0.700 1.640 3.077 14.091 13.655 1.032 possible 1904 266 A LEU CA 3 C4H1s 0.770 1.880 3.828 16.932 13.122 1.290 possible 1905 266 A LEU C 1 C3H0s 0.770 1.610 2.461 7.289 8.825 0.826 [OK] 1906 266 A LEU O 16 O1H0u 0.660 1.420 2.405 13.295 16.208 0.820 [OK] 1907 266 A LEU CB 8 C4H2s 0.770 1.880 4.188 26.993 22.951 1.176 possible 1908 266 A LEU CG 4 C4H1b 0.770 1.880 2.831 13.653 14.764 0.925 [OK] 1909 266 A LEU CD1 10 C4H3u 0.770 1.880 38.999 -1.000 37.425 -1.000 bad 1910 266 A LEU CD2 10 C4H3u 0.770 1.880 34.087 -1.000 37.143 -1.000 bad 1911 267 A TYR N 12 N3H1s 0.700 1.640 2.572 13.226 13.691 0.966 [OK] 1912 267 A TYR CA 3 C4H1s 0.770 1.880 3.071 14.454 13.330 1.084 possible 1913 267 A TYR C 1 C3H0s 0.770 1.610 2.022 7.136 8.770 0.814 [OK] 1914 267 A TYR O 16 O1H0u 0.660 1.420 2.413 14.239 16.124 0.883 [OK] 1915 267 A TYR CB 8 C4H2s 0.770 1.880 2.619 18.928 23.678 0.799 [OK] 1916 267 A TYR CG 2 C3H0b 0.770 1.610 2.311 8.464 9.732 0.870 [OK] 1917 267 A TYR CD1 5 C3H1s 0.770 1.760 3.021 21.837 20.171 1.083 possible 1918 267 A TYR CD2 5 C3H1s 0.770 1.760 2.891 19.109 20.728 0.922 [OK] 1919 267 A TYR CE1 5 C3H1s 0.770 1.760 2.839 21.798 20.675 1.054 [OK] 1920 267 A TYR CE2 5 C3H1s 0.770 1.760 2.914 20.104 20.810 0.966 [OK] 1921 267 A TYR CZ 2 C3H0b 0.770 1.610 2.583 10.033 9.926 1.011 [OK] 1922 267 A TYR OH 17 O2H1u 0.660 1.460 3.023 21.906 19.173 1.143 possible 1923 268 A GLN N 12 N3H1s 0.700 1.640 2.440 11.877 13.616 0.872 [OK] 1924 268 A GLN CA 3 C4H1s 0.770 1.880 3.046 16.168 13.334 1.213 possible 1925 268 A GLN C 1 C3H0s 0.770 1.610 2.188 7.967 8.787 0.907 [OK] 1926 268 A GLN O 16 O1H0u 0.660 1.420 2.380 14.495 15.993 0.906 [OK] 1927 268 A GLN CB 8 C4H2s 0.770 1.880 2.679 20.361 23.275 0.875 [OK] 1928 268 A GLN CG 8 C4H2s 0.770 1.880 2.930 21.626 23.465 0.922 [OK] 1929 268 A GLN CD 2 C3H0b 0.770 1.610 2.420 9.073 9.659 0.939 [OK] 1930 268 A GLN OE1 16 O1H0u 0.660 1.420 2.590 16.557 17.091 0.969 [OK] 1931 268 A GLN NE2 15 N3H2u 0.700 1.640 3.199 31.829 24.150 1.318 possible 1932 269 A HIS N 12 N3H1s 0.700 1.640 2.364 12.570 13.715 0.917 [OK] 1933 269 A HIS CA 3 C4H1s 0.770 1.880 2.761 13.361 13.467 0.992 [OK] 1934 269 A HIS C 1 C3H0s 0.770 1.610 3.737 9.139 8.882 1.029 possible 1935 269 A HIS O 16 O1H0u 0.660 1.420 3.798 19.162 16.082 1.191 possible 1936 269 A HIS CB 8 C4H2s 0.770 1.880 5.852 41.750 23.653 1.765 possible 1937 269 A HIS CG 2 C3H0b 0.770 1.610 5.650 15.788 9.952 1.586 possible 1938 269 A HIS ND1 13 N3H1b 0.700 1.640 6.472 45.608 15.506 2.941 possible 1939 269 A HIS CD2 5 C3H1s 0.770 1.760 4.633 23.227 21.085 1.102 possible 1940 269 A HIS CE1 5 C3H1s 0.770 1.760 6.515 60.320 20.636 2.923 possible 1941 269 A HIS NE2 13 N3H1b 0.700 1.640 4.619 29.246 15.337 1.907 possible 1942 270 A ILE N 12 N3H1s 0.700 1.640 3.289 13.173 13.633 0.966 possible 1943 270 A ILE CA 3 C4H1s 0.770 1.880 3.880 16.734 13.007 1.287 possible 1944 270 A ILE C 1 C3H0s 0.770 1.610 2.437 8.016 8.470 0.946 [OK] 1945 270 A ILE O 16 O1H0u 0.660 1.420 2.661 18.464 16.144 1.144 [OK] 1946 270 A ILE CB 4 C4H1b 0.770 1.880 3.177 14.898 14.227 1.047 possible 1947 270 A ILE CG1 9 C4H2b 0.770 1.880 3.216 26.894 24.187 1.112 possible 1948 270 A ILE CG2 10 C4H3u 0.770 1.880 4.932 41.034 35.961 1.141 possible 1949 270 A ILE CD1 10 C4H3u 0.770 1.880 36.667 -1.000 38.377 -1.000 bad 1950 271 A LEU N 12 N3H1s 0.700 1.640 2.646 12.930 13.655 0.947 [OK] 1951 271 A LEU CA 3 C4H1s 0.770 1.880 3.120 15.575 13.122 1.187 possible 1952 271 A LEU C 1 C3H0s 0.770 1.610 2.434 7.329 8.825 0.830 [OK] 1953 271 A LEU O 16 O1H0u 0.660 1.420 2.677 14.993 16.208 0.925 [OK] 1954 271 A LEU CB 8 C4H2s 0.770 1.880 2.915 22.162 22.951 0.966 [OK] 1955 271 A LEU CG 4 C4H1b 0.770 1.880 3.372 14.086 14.764 0.954 possible 1956 271 A LEU CD1 10 C4H3u 0.770 1.880 3.952 48.105 37.425 1.285 possible 1957 271 A LEU CD2 10 C4H3u 0.770 1.880 3.277 35.032 37.143 0.943 possible 1958 272 A TRP N 12 N3H1s 0.700 1.640 2.447 12.555 13.791 0.910 [OK] 1959 272 A TRP CA 3 C4H1s 0.770 1.880 2.704 11.721 13.377 0.876 [OK] 1960 272 A TRP C 1 C3H0s 0.770 1.610 2.070 7.737 8.724 0.887 [OK] 1961 272 A TRP O 16 O1H0u 0.660 1.420 2.571 15.182 15.951 0.952 [OK] 1962 272 A TRP CB 8 C4H2s 0.770 1.880 3.033 24.800 24.004 1.033 possible 1963 272 A TRP CG 2 C3H0b 0.770 1.610 2.720 9.588 9.965 0.962 [OK] 1964 272 A TRP CD1 5 C3H1s 0.770 1.760 2.847 20.097 20.874 0.963 [OK] 1965 272 A TRP CD2 2 C3H0b 0.770 1.610 2.393 9.520 10.097 0.943 [OK] 1966 272 A TRP NE1 13 N3H1b 0.700 1.640 3.053 17.960 16.969 1.058 possible 1967 272 A TRP CE2 2 C3H0b 0.770 1.610 2.625 9.284 9.889 0.939 [OK] 1968 272 A TRP CE3 6 C3H1b 0.770 1.760 2.960 20.078 20.448 0.982 [OK] 1969 272 A TRP CZ2 6 C3H1b 0.770 1.760 3.818 28.006 21.012 1.333 possible 1970 272 A TRP CZ3 6 C3H1b 0.770 1.760 3.307 27.992 21.516 1.301 possible 1971 272 A TRP CH2 6 C3H1b 0.770 1.760 2.823 19.285 21.339 0.904 [OK] 1972 273 A PHE N 12 N3H1s 0.700 1.640 2.315 12.476 13.691 0.911 [OK] 1973 273 A PHE CA 3 C4H1s 0.770 1.880 2.736 13.927 13.449 1.036 [OK] 1974 273 A PHE C 1 C3H0s 0.770 1.610 2.609 8.473 8.753 0.968 [OK] 1975 273 A PHE O 16 O1H0u 0.660 1.420 2.679 18.419 16.151 1.140 [OK] 1976 273 A PHE CB 8 C4H2s 0.770 1.880 4.022 27.529 23.777 1.158 possible 1977 273 A PHE CG 2 C3H0b 0.770 1.610 4.633 13.726 9.721 1.412 possible 1978 273 A PHE CD1 5 C3H1s 0.770 1.760 4.674 22.874 20.405 1.121 possible 1979 273 A PHE CD2 6 C3H1b 0.770 1.760 5.945 39.815 21.051 1.891 possible 1980 273 A PHE CE1 6 C3H1b 0.770 1.760 5.166 39.030 21.580 1.809 possible 1981 273 A PHE CE2 6 C3H1b 0.770 1.760 18.418 -1.000 21.680 -1.000 bad 1982 273 A PHE CZ 6 C3H1b 0.770 1.760 26.306 -1.000 21.666 -1.000 bad 1983 274 A PHE N 12 N3H1s 0.700 1.640 2.771 13.055 13.691 0.954 [OK] 1984 274 A PHE CA 3 C4H1s 0.770 1.880 3.148 15.512 13.449 1.153 possible 1985 274 A PHE C 1 C3H0s 0.770 1.610 2.198 7.720 8.753 0.882 [OK] 1986 274 A PHE O 16 O1H0u 0.660 1.420 2.655 15.007 16.151 0.929 [OK] 1987 274 A PHE CB 8 C4H2s 0.770 1.880 3.154 26.976 23.777 1.135 possible 1988 274 A PHE CG 2 C3H0b 0.770 1.610 2.344 8.372 9.721 0.861 [OK] 1989 274 A PHE CD1 5 C3H1s 0.770 1.760 3.066 19.957 20.405 0.978 possible 1990 274 A PHE CD2 6 C3H1b 0.770 1.760 2.874 17.653 21.051 0.839 [OK] 1991 274 A PHE CE1 6 C3H1b 0.770 1.760 3.383 21.936 21.580 1.017 possible 1992 274 A PHE CE2 6 C3H1b 0.770 1.760 3.536 30.323 21.680 1.399 possible 1993 274 A PHE CZ 6 C3H1b 0.770 1.760 3.136 22.783 21.666 1.052 possible 1994 275 A GLY N 12 N3H1s 0.700 1.640 2.322 11.018 14.854 0.742 [OK] 1995 275 A GLY CA 8 C4H2s 0.770 1.880 3.355 27.454 23.688 1.159 possible 1996 275 A GLY C 2 C3H0b 0.770 1.610 2.672 9.227 9.840 0.938 [OK] 1997 275 A GLY O 16 O1H0u 0.660 1.420 2.973 22.396 16.391 1.366 [OK] 1998 276 A HIS N 12 N3H1s 0.700 1.640 2.832 13.968 13.715 1.018 [OK] 1999 276 A HIS CA 3 C4H1s 0.770 1.880 2.896 13.487 13.467 1.001 [OK] 2000 276 A HIS C 1 C3H0s 0.770 1.610 2.425 8.525 8.882 0.960 [OK] 2001 276 A HIS O 16 O1H0u 0.660 1.420 2.111 12.860 16.082 0.800 [OK] 2002 276 A HIS CB 8 C4H2s 0.770 1.880 3.077 25.151 23.653 1.063 possible 2003 276 A HIS CG 2 C3H0b 0.770 1.610 2.550 10.269 9.952 1.032 [OK] 2004 276 A HIS ND1 13 N3H1b 0.700 1.640 2.393 10.895 15.506 0.703 [OK] 2005 276 A HIS CD2 5 C3H1s 0.770 1.760 2.905 18.018 21.085 0.855 [OK] 2006 276 A HIS CE1 5 C3H1s 0.770 1.760 2.800 17.376 20.636 0.842 [OK] 2007 276 A HIS NE2 13 N3H1b 0.700 1.640 2.691 14.060 15.337 0.917 [OK] 2008 277 A PRO N 11 N3H0u 0.700 1.640 2.440 8.316 8.823 0.943 [OK] 2009 277 A PRO CA 4 C4H1b 0.770 1.880 3.560 17.932 13.955 1.285 possible 2010 277 A PRO C 1 C3H0s 0.770 1.610 2.430 8.311 8.812 0.943 [OK] 2011 277 A PRO O 16 O1H0u 0.660 1.420 2.583 14.952 16.169 0.925 [OK] 2012 277 A PRO CB 9 C4H2b 0.770 1.880 3.137 27.768 25.563 1.086 possible 2013 277 A PRO CG 9 C4H2b 0.770 1.880 2.943 23.397 25.832 0.906 [OK] 2014 277 A PRO CD 8 C4H2s 0.770 1.880 2.636 19.438 23.836 0.815 [OK] 2015 278 A GLU N 12 N3H1s 0.700 1.640 3.002 14.468 13.615 1.063 possible 2016 278 A GLU CA 3 C4H1s 0.770 1.880 3.218 15.833 13.399 1.182 possible 2017 278 A GLU C 1 C3H0s 0.770 1.610 2.417 7.689 8.675 0.886 [OK] 2018 278 A GLU O 16 O1H0u 0.660 1.420 2.518 15.399 16.023 0.961 [OK] 2019 278 A GLU CB 8 C4H2s 0.770 1.880 2.895 21.072 23.529 0.896 [OK] 2020 278 A GLU CG 8 C4H2s 0.770 1.880 3.166 27.133 23.513 1.154 possible 2021 278 A GLU CD 2 C3H0b 0.770 1.610 2.764 10.546 9.460 1.115 [OK] 2022 278 A GLU OE1 16 O1H0u 0.660 1.420 3.566 27.523 15.999 1.720 possible 2023 278 A GLU OE2 16 O1H0u 0.660 1.420 2.784 20.875 17.432 1.197 [OK] 2024 279 A VAL N 12 N3H1s 0.700 1.640 2.515 12.159 13.676 0.889 [OK] 2025 279 A VAL CA 3 C4H1s 0.770 1.880 2.792 13.427 13.123 1.023 [OK] 2026 279 A VAL C 1 C3H0s 0.770 1.610 2.457 8.691 8.563 1.015 [OK] 2027 279 A VAL O 16 O1H0u 0.660 1.420 2.277 15.618 16.181 0.965 [OK] 2028 279 A VAL CB 4 C4H1b 0.770 1.880 2.711 11.058 14.598 0.757 [OK] 2029 279 A VAL CG1 10 C4H3u 0.770 1.880 3.489 42.584 36.584 1.164 possible 2030 279 A VAL CG2 10 C4H3u 0.770 1.880 2.919 30.391 36.332 0.836 [OK] 2031 280 A TYR N 12 N3H1s 0.700 1.640 2.282 11.673 13.691 0.853 [OK] 2032 280 A TYR CA 3 C4H1s 0.770 1.880 2.904 12.137 13.330 0.911 [OK] 2033 280 A TYR C 1 C3H0s 0.770 1.610 2.429 8.836 8.770 1.008 [OK] 2034 280 A TYR O 16 O1H0u 0.660 1.420 2.552 14.989 16.124 0.930 [OK] 2035 280 A TYR CB 8 C4H2s 0.770 1.880 3.539 29.703 23.678 1.254 possible 2036 280 A TYR CG 2 C3H0b 0.770 1.610 2.908 10.329 9.732 1.061 [OK] 2037 280 A TYR CD1 5 C3H1s 0.770 1.760 3.629 22.133 20.171 1.097 possible 2038 280 A TYR CD2 5 C3H1s 0.770 1.760 3.328 20.801 20.728 1.004 possible 2039 280 A TYR CE1 5 C3H1s 0.770 1.760 3.744 27.578 20.675 1.334 possible 2040 280 A TYR CE2 5 C3H1s 0.770 1.760 3.131 15.663 20.810 0.753 possible 2041 280 A TYR CZ 2 C3H0b 0.770 1.610 3.063 10.579 9.926 1.066 possible 2042 280 A TYR OH 17 O2H1u 0.660 1.460 2.518 15.608 19.173 0.814 [OK] 2043 281 A ILE N 12 N3H1s 0.700 1.640 2.423 12.262 13.633 0.899 [OK] 2044 281 A ILE CA 3 C4H1s 0.770 1.880 2.995 14.978 13.007 1.152 [OK] 2045 281 A ILE C 1 C3H0s 0.770 1.610 2.304 8.093 8.470 0.955 [OK] 2046 281 A ILE O 16 O1H0u 0.660 1.420 2.867 21.426 16.144 1.327 [OK] 2047 281 A ILE CB 4 C4H1b 0.770 1.880 3.050 13.538 14.227 0.952 possible 2048 281 A ILE CG1 9 C4H2b 0.770 1.880 2.787 21.566 24.187 0.892 [OK] 2049 281 A ILE CG2 10 C4H3u 0.770 1.880 3.661 34.916 35.961 0.971 possible 2050 281 A ILE CD1 10 C4H3u 0.770 1.880 3.734 42.191 38.377 1.099 possible 2051 282 A ILE N 12 N3H1s 0.700 1.640 2.419 12.509 13.633 0.918 [OK] 2052 282 A ILE CA 3 C4H1s 0.770 1.880 3.287 15.151 13.007 1.165 possible 2053 282 A ILE C 1 C3H0s 0.770 1.610 2.312 7.956 8.470 0.939 [OK] 2054 282 A ILE O 16 O1H0u 0.660 1.420 2.848 18.759 16.144 1.162 [OK] 2055 282 A ILE CB 4 C4H1b 0.770 1.880 2.656 13.140 14.227 0.924 [OK] 2056 282 A ILE CG1 9 C4H2b 0.770 1.880 3.031 21.034 24.187 0.870 possible 2057 282 A ILE CG2 10 C4H3u 0.770 1.880 3.180 32.588 35.961 0.906 possible 2058 282 A ILE CD1 10 C4H3u 0.770 1.880 3.254 42.366 38.377 1.104 possible 2059 283 A ILE N 12 N3H1s 0.700 1.640 2.444 13.096 13.633 0.961 [OK] 2060 283 A ILE CA 3 C4H1s 0.770 1.880 2.899 11.289 13.007 0.868 [OK] 2061 283 A ILE C 1 C3H0s 0.770 1.610 2.378 8.807 8.470 1.040 [OK] 2062 283 A ILE O 16 O1H0u 0.660 1.420 2.623 14.810 16.144 0.917 [OK] 2063 283 A ILE CB 4 C4H1b 0.770 1.880 2.685 13.570 14.227 0.954 [OK] 2064 283 A ILE CG1 9 C4H2b 0.770 1.880 2.933 22.369 24.187 0.925 [OK] 2065 283 A ILE CG2 10 C4H3u 0.770 1.880 3.771 39.042 35.961 1.086 possible 2066 283 A ILE CD1 10 C4H3u 0.770 1.880 3.114 37.784 38.377 0.985 possible 2067 284 A LEU N 12 N3H1s 0.700 1.640 2.361 12.256 13.655 0.898 [OK] 2068 284 A LEU CA 3 C4H1s 0.770 1.880 2.466 11.574 13.122 0.882 [OK] 2069 284 A LEU C 1 C3H0s 0.770 1.610 2.401 7.969 8.825 0.903 [OK] 2070 284 A LEU O 16 O1H0u 0.660 1.420 2.158 12.185 16.208 0.752 [OK] 2071 284 A LEU CB 8 C4H2s 0.770 1.880 3.066 22.639 22.951 0.986 possible 2072 284 A LEU CG 4 C4H1b 0.770 1.880 2.939 14.768 14.764 1.000 [OK] 2073 284 A LEU CD1 10 C4H3u 0.770 1.880 3.115 42.984 37.425 1.149 possible 2074 284 A LEU CD2 10 C4H3u 0.770 1.880 3.092 36.660 37.143 0.987 possible 2075 285 A PRO N 11 N3H0u 0.700 1.640 2.535 8.386 8.823 0.950 [OK] 2076 285 A PRO CA 4 C4H1b 0.770 1.880 2.687 14.513 13.955 1.040 [OK] 2077 285 A PRO C 1 C3H0s 0.770 1.610 2.434 8.474 8.812 0.962 [OK] 2078 285 A PRO O 16 O1H0u 0.660 1.420 2.659 16.284 16.169 1.007 [OK] 2079 285 A PRO CB 9 C4H2b 0.770 1.880 3.202 27.766 25.563 1.086 possible 2080 285 A PRO CG 9 C4H2b 0.770 1.880 3.380 31.658 25.832 1.226 possible 2081 285 A PRO CD 8 C4H2s 0.770 1.880 2.880 21.177 23.836 0.888 [OK] 2082 286 A GLY N 12 N3H1s 0.700 1.640 2.733 13.802 14.854 0.929 [OK] 2083 286 A GLY CA 8 C4H2s 0.770 1.880 3.161 32.751 23.688 1.383 possible 2084 286 A GLY C 2 C3H0b 0.770 1.610 2.774 10.354 9.840 1.052 [OK] 2085 286 A GLY O 16 O1H0u 0.660 1.420 2.579 15.951 16.391 0.973 [OK] 2086 287 A PHE N 12 N3H1s 0.700 1.640 2.798 11.853 13.691 0.866 [OK] 2087 287 A PHE CA 3 C4H1s 0.770 1.880 2.920 13.209 13.449 0.982 [OK] 2088 287 A PHE C 1 C3H0s 0.770 1.610 2.237 8.164 8.753 0.933 [OK] 2089 287 A PHE O 16 O1H0u 0.660 1.420 2.154 13.961 16.151 0.864 [OK] 2090 287 A PHE CB 8 C4H2s 0.770 1.880 2.539 18.414 23.777 0.774 [OK] 2091 287 A PHE CG 2 C3H0b 0.770 1.610 2.466 9.960 9.721 1.025 [OK] 2092 287 A PHE CD1 5 C3H1s 0.770 1.760 2.904 18.164 20.405 0.890 [OK] 2093 287 A PHE CD2 6 C3H1b 0.770 1.760 2.860 19.700 21.051 0.936 [OK] 2094 287 A PHE CE1 6 C3H1b 0.770 1.760 3.142 20.837 21.580 0.966 possible 2095 287 A PHE CE2 6 C3H1b 0.770 1.760 3.713 26.442 21.680 1.220 possible 2096 287 A PHE CZ 6 C3H1b 0.770 1.760 3.781 26.425 21.666 1.220 possible 2097 288 A GLY N 12 N3H1s 0.700 1.640 2.352 13.713 14.854 0.923 [OK] 2098 288 A GLY CA 8 C4H2s 0.770 1.880 3.032 24.761 23.688 1.045 possible 2099 288 A GLY C 2 C3H0b 0.770 1.610 2.463 8.592 9.840 0.873 [OK] 2100 288 A GLY O 16 O1H0u 0.660 1.420 2.579 14.589 16.391 0.890 [OK] 2101 289 A ILE N 12 N3H1s 0.700 1.640 2.459 12.644 13.633 0.927 [OK] 2102 289 A ILE CA 3 C4H1s 0.770 1.880 3.195 16.906 13.007 1.300 possible 2103 289 A ILE C 1 C3H0s 0.770 1.610 2.520 7.639 8.470 0.902 [OK] 2104 289 A ILE O 16 O1H0u 0.660 1.420 2.791 15.004 16.144 0.929 [OK] 2105 289 A ILE CB 4 C4H1b 0.770 1.880 2.881 15.016 14.227 1.055 [OK] 2106 289 A ILE CG1 9 C4H2b 0.770 1.880 2.693 20.271 24.187 0.838 [OK] 2107 289 A ILE CG2 10 C4H3u 0.770 1.880 3.298 32.336 35.961 0.899 possible 2108 289 A ILE CD1 10 C4H3u 0.770 1.880 3.203 36.815 38.377 0.959 possible 2109 290 A ILE N 12 N3H1s 0.700 1.640 2.540 12.121 13.633 0.889 [OK] 2110 290 A ILE CA 3 C4H1s 0.770 1.880 2.720 12.083 13.007 0.929 [OK] 2111 290 A ILE C 1 C3H0s 0.770 1.610 2.437 7.886 8.470 0.931 [OK] 2112 290 A ILE O 16 O1H0u 0.660 1.420 2.296 13.278 16.144 0.822 [OK] 2113 290 A ILE CB 4 C4H1b 0.770 1.880 2.923 14.424 14.227 1.014 [OK] 2114 290 A ILE CG1 9 C4H2b 0.770 1.880 3.008 24.182 24.187 1.000 possible 2115 290 A ILE CG2 10 C4H3u 0.770 1.880 2.980 37.317 35.961 1.038 [OK] 2116 290 A ILE CD1 10 C4H3u 0.770 1.880 3.176 36.418 38.377 0.949 possible 2117 291 A SER N 12 N3H1s 0.700 1.640 2.403 12.660 14.103 0.898 [OK] 2118 291 A SER CA 3 C4H1s 0.770 1.880 2.905 14.248 13.476 1.057 [OK] 2119 291 A SER C 1 C3H0s 0.770 1.610 3.011 8.796 8.923 0.986 possible 2120 291 A SER O 16 O1H0u 0.660 1.420 2.779 16.202 16.179 1.001 [OK] 2121 291 A SER CB 8 C4H2s 0.770 1.880 3.340 23.415 23.884 0.980 possible 2122 291 A SER OG 17 O2H1u 0.660 1.460 2.394 18.445 18.732 0.985 [OK] 2123 292 A HIS N 12 N3H1s 0.700 1.640 3.254 12.897 13.715 0.940 possible 2124 292 A HIS CA 3 C4H1s 0.770 1.880 3.878 18.693 13.467 1.388 possible 2125 292 A HIS C 1 C3H0s 0.770 1.610 2.339 8.408 8.882 0.947 [OK] 2126 292 A HIS O 16 O1H0u 0.660 1.420 3.089 16.856 16.082 1.048 possible 2127 292 A HIS CB 8 C4H2s 0.770 1.880 3.790 29.697 23.653 1.256 possible 2128 292 A HIS CG 2 C3H0b 0.770 1.610 3.821 12.705 9.952 1.277 possible 2129 292 A HIS ND1 13 N3H1b 0.700 1.640 4.183 31.141 15.506 2.008 possible 2130 292 A HIS CD2 5 C3H1s 0.770 1.760 4.052 22.033 21.085 1.045 possible 2131 292 A HIS CE1 5 C3H1s 0.770 1.760 4.743 25.739 20.636 1.247 possible 2132 292 A HIS NE2 13 N3H1b 0.700 1.640 4.339 17.978 15.337 1.172 possible 2133 293 A VAL N 12 N3H1s 0.700 1.640 2.659 12.627 13.676 0.923 [OK] 2134 293 A VAL CA 3 C4H1s 0.770 1.880 2.750 14.146 13.123 1.078 [OK] 2135 293 A VAL C 1 C3H0s 0.770 1.610 2.582 8.097 8.563 0.946 [OK] 2136 293 A VAL O 16 O1H0u 0.660 1.420 2.366 14.650 16.181 0.905 [OK] 2137 293 A VAL CB 4 C4H1b 0.770 1.880 2.862 14.745 14.598 1.010 [OK] 2138 293 A VAL CG1 10 C4H3u 0.770 1.880 2.919 33.250 36.584 0.909 [OK] 2139 293 A VAL CG2 10 C4H3u 0.770 1.880 3.046 35.580 36.332 0.979 possible 2140 294 A ILE N 12 N3H1s 0.700 1.640 2.605 12.295 13.633 0.902 [OK] 2141 294 A ILE CA 3 C4H1s 0.770 1.880 2.638 12.257 13.007 0.942 [OK] 2142 294 A ILE C 1 C3H0s 0.770 1.610 2.363 7.754 8.470 0.915 [OK] 2143 294 A ILE O 16 O1H0u 0.660 1.420 2.204 13.445 16.144 0.833 [OK] 2144 294 A ILE CB 4 C4H1b 0.770 1.880 2.937 14.895 14.227 1.047 [OK] 2145 294 A ILE CG1 9 C4H2b 0.770 1.880 2.922 23.044 24.187 0.953 [OK] 2146 294 A ILE CG2 10 C4H3u 0.770 1.880 3.018 32.769 35.961 0.911 possible 2147 294 A ILE CD1 10 C4H3u 0.770 1.880 3.018 37.372 38.377 0.974 possible 2148 295 A SER N 12 N3H1s 0.700 1.640 2.711 14.300 14.103 1.014 [OK] 2149 295 A SER CA 3 C4H1s 0.770 1.880 2.765 13.668 13.476 1.014 [OK] 2150 295 A SER C 1 C3H0s 0.770 1.610 2.880 8.515 8.923 0.954 [OK] 2151 295 A SER O 16 O1H0u 0.660 1.420 2.849 16.489 16.179 1.019 [OK] 2152 295 A SER CB 8 C4H2s 0.770 1.880 3.287 25.412 23.884 1.064 possible 2153 295 A SER OG 17 O2H1u 0.660 1.460 4.300 43.880 18.732 2.343 possible 2154 296 A THR N 12 N3H1s 0.700 1.640 2.619 13.110 13.832 0.948 [OK] 2155 296 A THR CA 3 C4H1s 0.770 1.880 2.704 13.383 13.099 1.022 [OK] 2156 296 A THR C 1 C3H0s 0.770 1.610 2.442 7.854 8.738 0.899 [OK] 2157 296 A THR O 16 O1H0u 0.660 1.420 2.595 17.417 16.020 1.087 [OK] 2158 296 A THR CB 4 C4H1b 0.770 1.880 2.740 14.130 14.829 0.953 [OK] 2159 296 A THR OG1 17 O2H1u 0.660 1.460 3.537 24.214 18.123 1.336 possible 2160 296 A THR CG2 10 C4H3u 0.770 1.880 3.199 37.873 36.542 1.036 possible 2161 297 A PHE N 12 N3H1s 0.700 1.640 2.210 11.453 13.691 0.837 [OK] 2162 297 A PHE CA 3 C4H1s 0.770 1.880 3.231 14.659 13.449 1.090 possible 2163 297 A PHE C 1 C3H0s 0.770 1.610 2.785 9.668 8.753 1.105 [OK] 2164 297 A PHE O 16 O1H0u 0.660 1.420 2.821 18.814 16.151 1.165 [OK] 2165 297 A PHE CB 8 C4H2s 0.770 1.880 2.730 21.925 23.777 0.922 [OK] 2166 297 A PHE CG 2 C3H0b 0.770 1.610 2.679 9.999 9.721 1.029 [OK] 2167 297 A PHE CD1 5 C3H1s 0.770 1.760 2.647 17.448 20.405 0.855 [OK] 2168 297 A PHE CD2 6 C3H1b 0.770 1.760 3.385 26.360 21.051 1.252 possible 2169 297 A PHE CE1 6 C3H1b 0.770 1.760 2.654 20.137 21.580 0.933 [OK] 2170 297 A PHE CE2 6 C3H1b 0.770 1.760 3.689 25.283 21.680 1.166 possible 2171 297 A PHE CZ 6 C3H1b 0.770 1.760 2.861 20.779 21.666 0.959 [OK] 2172 298 A ALA N 12 N3H1s 0.700 1.640 2.341 11.873 14.046 0.845 [OK] 2173 298 A ALA CA 4 C4H1b 0.770 1.880 2.674 13.428 14.063 0.955 [OK] 2174 298 A ALA C 1 C3H0s 0.770 1.610 2.308 8.465 8.900 0.951 [OK] 2175 298 A ALA O 16 O1H0u 0.660 1.420 2.593 15.698 16.188 0.970 [OK] 2176 298 A ALA CB 10 C4H3u 0.770 1.880 3.107 37.113 36.782 1.009 possible 2177 299 A LYS N 12 N3H1s 0.700 1.640 2.540 13.552 13.675 0.991 [OK] 2178 299 A LYS CA 3 C4H1s 0.770 1.880 2.675 12.935 13.324 0.971 [OK] 2179 299 A LYS C 1 C3H0s 0.770 1.610 2.156 8.184 8.759 0.934 [OK] 2180 299 A LYS O 16 O1H0u 0.660 1.420 2.775 17.368 16.049 1.082 [OK] 2181 299 A LYS CB 8 C4H2s 0.770 1.880 3.558 22.934 22.904 1.001 possible 2182 299 A LYS CG 8 C4H2s 0.770 1.880 3.680 27.091 23.131 1.171 possible 2183 299 A LYS CD 8 C4H2s 0.770 1.880 3.297 29.601 23.837 1.242 possible 2184 299 A LYS CE 9 C4H2b 0.770 1.880 3.169 24.776 23.934 1.035 possible 2185 299 A LYS NZ 14 N4H3u 0.700 1.640 7.844 93.062 21.213 4.387 possible 2186 300 A LYS N 12 N3H1s 0.700 1.640 2.509 13.437 13.675 0.983 [OK] 2187 300 A LYS CA 3 C4H1s 0.770 1.880 3.071 12.537 13.324 0.941 possible 2188 300 A LYS C 1 C3H0s 0.770 1.610 2.598 8.606 8.759 0.983 [OK] 2189 300 A LYS O 16 O1H0u 0.660 1.420 3.309 17.692 16.049 1.102 possible 2190 300 A LYS CB 8 C4H2s 0.770 1.880 2.763 21.639 22.904 0.945 [OK] 2191 300 A LYS CG 8 C4H2s 0.770 1.880 2.884 22.860 23.131 0.988 [OK] 2192 300 A LYS CD 8 C4H2s 0.770 1.880 3.032 17.756 23.837 0.745 possible 2193 300 A LYS CE 9 C4H2b 0.770 1.880 3.144 29.296 23.934 1.224 possible 2194 300 A LYS NZ 14 N4H3u 0.700 1.640 3.020 21.887 21.213 1.032 possible 2195 301 A PRO N 11 N3H0u 0.700 1.640 2.682 8.967 8.823 1.016 [OK] 2196 301 A PRO CA 4 C4H1b 0.770 1.880 4.258 23.812 13.955 1.706 possible 2197 301 A PRO C 1 C3H0s 0.770 1.610 2.503 8.849 8.812 1.004 [OK] 2198 301 A PRO O 16 O1H0u 0.660 1.420 2.743 21.361 16.169 1.321 [OK] 2199 301 A PRO CB 9 C4H2b 0.770 1.880 15.630 -1.000 25.563 -1.000 bad 2200 301 A PRO CG 9 C4H2b 0.770 1.880 25.609 -1.000 25.832 -1.000 bad 2201 301 A PRO CD 8 C4H2s 0.770 1.880 3.371 34.011 23.836 1.427 possible 2202 302 A ILE N 12 N3H1s 0.700 1.640 4.934 29.570 13.633 2.169 possible 2203 302 A ILE CA 3 C4H1s 0.770 1.880 2.658 12.132 13.007 0.933 [OK] 2204 302 A ILE C 1 C3H0s 0.770 1.610 2.589 7.661 8.470 0.904 [OK] 2205 302 A ILE O 16 O1H0u 0.660 1.420 4.175 27.947 16.144 1.731 possible 2206 302 A ILE CB 4 C4H1b 0.770 1.880 5.282 33.473 14.227 2.353 possible 2207 302 A ILE CG1 9 C4H2b 0.770 1.880 4.631 34.236 24.187 1.415 possible 2208 302 A ILE CG2 10 C4H3u 0.770 1.880 4.457 37.798 35.961 1.051 possible 2209 302 A ILE CD1 10 C4H3u 0.770 1.880 3.079 41.121 38.377 1.072 possible 2210 303 A PHE N 12 N3H1s 0.700 1.640 2.750 14.061 13.691 1.027 [OK] 2211 303 A PHE CA 3 C4H1s 0.770 1.880 3.253 14.800 13.449 1.100 possible 2212 303 A PHE C 1 C3H0s 0.770 1.610 2.256 8.065 8.753 0.921 [OK] 2213 303 A PHE O 16 O1H0u 0.660 1.420 2.638 18.535 16.151 1.148 [OK] 2214 303 A PHE CB 8 C4H2s 0.770 1.880 3.291 22.845 23.777 0.961 possible 2215 303 A PHE CG 2 C3H0b 0.770 1.610 2.332 9.303 9.721 0.957 [OK] 2216 303 A PHE CD1 5 C3H1s 0.770 1.760 2.807 18.966 20.405 0.929 [OK] 2217 303 A PHE CD2 6 C3H1b 0.770 1.760 3.027 21.488 21.051 1.021 possible 2218 303 A PHE CE1 6 C3H1b 0.770 1.760 2.796 22.220 21.580 1.030 [OK] 2219 303 A PHE CE2 6 C3H1b 0.770 1.760 3.067 23.995 21.680 1.107 possible 2220 303 A PHE CZ 6 C3H1b 0.770 1.760 3.077 20.902 21.666 0.965 possible 2221 304 A GLY N 12 N3H1s 0.700 1.640 2.757 14.836 14.854 0.999 [OK] 2222 304 A GLY CA 8 C4H2s 0.770 1.880 3.938 32.459 23.688 1.370 possible 2223 304 A GLY C 2 C3H0b 0.770 1.610 2.646 8.412 9.840 0.855 [OK] 2224 304 A GLY O 16 O1H0u 0.660 1.420 2.655 15.165 16.391 0.925 [OK] 2225 305 A TYR N 12 N3H1s 0.700 1.640 4.841 25.349 13.691 1.852 possible 2226 305 A TYR CA 3 C4H1s 0.770 1.880 2.782 14.469 13.330 1.085 [OK] 2227 305 A TYR C 1 C3H0s 0.770 1.610 1.981 7.461 8.770 0.851 [OK] 2228 305 A TYR O 16 O1H0u 0.660 1.420 2.391 15.125 16.124 0.938 [OK] 2229 305 A TYR CB 8 C4H2s 0.770 1.880 6.764 75.904 23.678 3.206 possible 2230 305 A TYR CG 2 C3H0b 0.770 1.610 5.695 16.119 9.732 1.656 possible 2231 305 A TYR CD1 5 C3H1s 0.770 1.760 6.980 38.363 20.171 1.902 possible 2232 305 A TYR CD2 5 C3H1s 0.770 1.760 6.958 64.714 20.728 3.122 possible 2233 305 A TYR CE1 5 C3H1s 0.770 1.760 3.186 24.359 20.675 1.178 possible 2234 305 A TYR CE2 5 C3H1s 0.770 1.760 5.225 35.949 20.810 1.727 possible 2235 305 A TYR CZ 2 C3H0b 0.770 1.610 2.993 11.206 9.926 1.129 [OK] 2236 305 A TYR OH 17 O2H1u 0.660 1.460 2.635 19.054 19.173 0.994 [OK] 2237 306 A LEU N 12 N3H1s 0.700 1.640 5.542 21.859 13.655 1.601 possible 2238 306 A LEU CA 3 C4H1s 0.770 1.880 2.800 12.669 13.122 0.965 [OK] 2239 306 A LEU C 1 C3H0s 0.770 1.610 2.695 8.271 8.825 0.937 [OK] 2240 306 A LEU O 16 O1H0u 0.660 1.420 2.466 14.288 16.208 0.882 [OK] 2241 306 A LEU CB 8 C4H2s 0.770 1.880 16.107 -1.000 22.951 -1.000 bad 2242 306 A LEU CG 4 C4H1b 0.770 1.880 3.397 13.223 14.764 0.896 possible 2243 306 A LEU CD1 10 C4H3u 0.770 1.880 4.354 48.748 37.425 1.303 possible 2244 306 A LEU CD2 10 C4H3u 0.770 1.880 57.125 -1.000 37.143 -1.000 bad 2245 307 A PRO N 11 N3H0u 0.700 1.640 3.190 8.918 8.823 1.011 possible 2246 307 A PRO CA 4 C4H1b 0.770 1.880 5.437 23.311 13.955 1.670 possible 2247 307 A PRO C 1 C3H0s 0.770 1.610 2.542 8.819 8.812 1.001 [OK] 2248 307 A PRO O 16 O1H0u 0.660 1.420 4.266 21.172 16.169 1.309 possible 2249 307 A PRO CB 9 C4H2b 0.770 1.880 6.098 39.311 25.563 1.538 possible 2250 307 A PRO CG 9 C4H2b 0.770 1.880 6.314 65.111 25.832 2.521 possible 2251 307 A PRO CD 8 C4H2s 0.770 1.880 4.723 35.147 23.836 1.475 possible 2252 308 A MET N 12 N3H1s 0.700 1.640 2.913 13.507 13.564 0.996 [OK] 2253 308 A MET CA 3 C4H1s 0.770 1.880 2.993 14.122 13.231 1.067 [OK] 2254 308 A MET C 1 C3H0s 0.770 1.610 2.778 8.547 8.782 0.973 [OK] 2255 308 A MET O 16 O1H0u 0.660 1.420 2.703 15.432 16.277 0.948 [OK] 2256 308 A MET CB 8 C4H2s 0.770 1.880 3.168 24.476 23.645 1.035 possible 2257 308 A MET CG 9 C4H2b 0.770 1.880 2.815 24.077 24.009 1.003 [OK] 2258 308 A MET SD 19 S2H0u 1.040 1.770 2.942 27.369 30.093 0.909 [OK] 2259 308 A MET CE 10 C4H3u 0.770 1.880 3.038 36.893 37.161 0.993 possible 2260 309 A VAL N 12 N3H1s 0.700 1.640 2.719 13.018 13.676 0.952 [OK] 2261 309 A VAL CA 3 C4H1s 0.770 1.880 3.160 16.214 13.123 1.236 possible 2262 309 A VAL C 1 C3H0s 0.770 1.610 2.664 7.667 8.563 0.895 [OK] 2263 309 A VAL O 16 O1H0u 0.660 1.420 2.745 16.795 16.181 1.038 [OK] 2264 309 A VAL CB 4 C4H1b 0.770 1.880 3.016 15.504 14.598 1.062 possible 2265 309 A VAL CG1 10 C4H3u 0.770 1.880 4.462 53.464 36.584 1.461 possible 2266 309 A VAL CG2 10 C4H3u 0.770 1.880 3.078 35.011 36.332 0.964 possible 2267 310 A LEU N 12 N3H1s 0.700 1.640 2.659 12.548 13.655 0.919 [OK] 2268 310 A LEU CA 3 C4H1s 0.770 1.880 3.089 12.948 13.122 0.987 possible 2269 310 A LEU C 1 C3H0s 0.770 1.610 4.326 9.400 8.825 1.065 possible 2270 310 A LEU O 16 O1H0u 0.660 1.420 4.948 28.864 16.208 1.781 possible 2271 310 A LEU CB 8 C4H2s 0.770 1.880 15.577 -1.000 22.951 -1.000 bad 2272 310 A LEU CG 4 C4H1b 0.770 1.880 2.992 13.468 14.764 0.912 [OK] 2273 310 A LEU CD1 10 C4H3u 0.770 1.880 35.475 -1.000 37.425 -1.000 bad 2274 310 A LEU CD2 10 C4H3u 0.770 1.880 42.015 -1.000 37.143 -1.000 bad 2275 311 A ALA N 12 N3H1s 0.700 1.640 4.453 14.064 14.046 1.001 possible 2276 311 A ALA CA 4 C4H1b 0.770 1.880 5.090 21.861 14.063 1.555 possible 2277 311 A ALA C 1 C3H0s 0.770 1.610 2.496 8.550 8.900 0.961 [OK] 2278 311 A ALA O 16 O1H0u 0.660 1.420 2.333 13.178 16.188 0.814 [OK] 2279 311 A ALA CB 10 C4H3u 0.770 1.880 3.653 37.737 36.782 1.026 possible 2280 312 A MET N 12 N3H1s 0.700 1.640 2.505 13.050 13.564 0.962 [OK] 2281 312 A MET CA 3 C4H1s 0.770 1.880 2.869 14.800 13.231 1.119 [OK] 2282 312 A MET C 1 C3H0s 0.770 1.610 2.356 8.122 8.782 0.925 [OK] 2283 312 A MET O 16 O1H0u 0.660 1.420 2.509 17.309 16.277 1.063 [OK] 2284 312 A MET CB 8 C4H2s 0.770 1.880 3.115 23.457 23.645 0.992 possible 2285 312 A MET CG 9 C4H2b 0.770 1.880 2.991 21.204 24.009 0.883 [OK] 2286 312 A MET SD 19 S2H0u 1.040 1.770 3.042 36.850 30.093 1.225 possible 2287 312 A MET CE 10 C4H3u 0.770 1.880 3.073 29.361 37.161 0.790 possible 2288 313 A ALA N 12 N3H1s 0.700 1.640 2.383 12.573 14.046 0.895 [OK] 2289 313 A ALA CA 4 C4H1b 0.770 1.880 4.056 17.508 14.063 1.245 possible 2290 313 A ALA C 1 C3H0s 0.770 1.610 3.684 9.246 8.900 1.039 possible 2291 313 A ALA O 16 O1H0u 0.660 1.420 3.316 19.433 16.188 1.200 possible 2292 313 A ALA CB 10 C4H3u 0.770 1.880 32.661 -1.000 36.782 -1.000 bad 2293 314 A ALA N 12 N3H1s 0.700 1.640 4.889 15.314 14.046 1.090 possible 2294 314 A ALA CA 4 C4H1b 0.770 1.880 5.964 21.092 14.063 1.500 possible 2295 314 A ALA C 1 C3H0s 0.770 1.610 2.541 8.592 8.900 0.965 [OK] 2296 314 A ALA O 16 O1H0u 0.660 1.420 2.546 13.367 16.188 0.826 [OK] 2297 314 A ALA CB 10 C4H3u 0.770 1.880 25.814 -1.000 36.782 -1.000 bad 2298 315 A ILE N 12 N3H1s 0.700 1.640 2.718 13.254 13.633 0.972 [OK] 2299 315 A ILE CA 3 C4H1s 0.770 1.880 3.139 17.055 13.007 1.311 possible 2300 315 A ILE C 1 C3H0s 0.770 1.610 2.487 7.531 8.470 0.889 [OK] 2301 315 A ILE O 16 O1H0u 0.660 1.420 2.773 19.301 16.144 1.196 [OK] 2302 315 A ILE CB 4 C4H1b 0.770 1.880 2.826 13.650 14.227 0.959 [OK] 2303 315 A ILE CG1 9 C4H2b 0.770 1.880 3.223 25.467 24.187 1.053 possible 2304 315 A ILE CG2 10 C4H3u 0.770 1.880 3.642 44.822 35.961 1.246 possible 2305 315 A ILE CD1 10 C4H3u 0.770 1.880 3.831 45.088 38.377 1.175 possible 2306 316 A GLY N 12 N3H1s 0.700 1.640 2.768 13.436 14.854 0.905 [OK] 2307 316 A GLY CA 8 C4H2s 0.770 1.880 3.503 28.613 23.688 1.208 possible 2308 316 A GLY C 2 C3H0b 0.770 1.610 2.947 9.485 9.840 0.964 [OK] 2309 316 A GLY O 16 O1H0u 0.660 1.420 2.863 18.774 16.391 1.145 [OK] 2310 317 A ILE N 12 N3H1s 0.700 1.640 3.265 13.672 13.633 1.003 possible 2311 317 A ILE CA 3 C4H1s 0.770 1.880 4.515 20.014 13.007 1.539 possible 2312 317 A ILE C 1 C3H0s 0.770 1.610 2.311 8.081 8.470 0.954 [OK] 2313 317 A ILE O 16 O1H0u 0.660 1.420 6.400 35.918 16.144 2.225 possible 2314 317 A ILE CB 4 C4H1b 0.770 1.880 9.458 -1.000 14.227 -1.000 bad 2315 317 A ILE CG1 9 C4H2b 0.770 1.880 8.513 -1.000 24.187 -1.000 bad 2316 317 A ILE CG2 10 C4H3u 0.770 1.880 48.748 -1.000 35.961 -1.000 bad 2317 317 A ILE CD1 10 C4H3u 0.770 1.880 42.541 -1.000 38.377 -1.000 bad 2318 318 A LEU N 12 N3H1s 0.700 1.640 2.191 11.452 13.655 0.839 [OK] 2319 318 A LEU CA 3 C4H1s 0.770 1.880 2.865 12.705 13.122 0.968 [OK] 2320 318 A LEU C 1 C3H0s 0.770 1.610 2.331 8.491 8.825 0.962 [OK] 2321 318 A LEU O 16 O1H0u 0.660 1.420 2.835 16.890 16.208 1.042 [OK] 2322 318 A LEU CB 8 C4H2s 0.770 1.880 3.306 20.761 22.951 0.905 possible 2323 318 A LEU CG 4 C4H1b 0.770 1.880 4.529 16.674 14.764 1.129 possible 2324 318 A LEU CD1 10 C4H3u 0.770 1.880 11.429 -1.000 37.425 -1.000 bad 2325 318 A LEU CD2 10 C4H3u 0.770 1.880 30.231 -1.000 37.143 -1.000 bad 2326 319 A GLY N 12 N3H1s 0.700 1.640 2.767 13.443 14.854 0.905 [OK] 2327 319 A GLY CA 8 C4H2s 0.770 1.880 3.427 27.621 23.688 1.166 possible 2328 319 A GLY C 2 C3H0b 0.770 1.610 3.089 10.976 9.840 1.115 possible 2329 319 A GLY O 16 O1H0u 0.660 1.420 2.580 16.451 16.391 1.004 [OK] 2330 320 A PHE N 12 N3H1s 0.700 1.640 2.422 13.136 13.691 0.959 [OK] 2331 320 A PHE CA 3 C4H1s 0.770 1.880 2.566 11.830 13.449 0.880 [OK] 2332 320 A PHE C 1 C3H0s 0.770 1.610 2.562 9.163 8.753 1.047 [OK] 2333 320 A PHE O 16 O1H0u 0.660 1.420 3.653 23.242 16.151 1.439 possible 2334 320 A PHE CB 8 C4H2s 0.770 1.880 6.558 51.495 23.777 2.166 possible 2335 320 A PHE CG 2 C3H0b 0.770 1.610 4.414 13.857 9.721 1.425 possible 2336 320 A PHE CD1 5 C3H1s 0.770 1.760 3.997 24.484 20.405 1.200 possible 2337 320 A PHE CD2 6 C3H1b 0.770 1.760 5.103 33.978 21.051 1.614 possible 2338 320 A PHE CE1 6 C3H1b 0.770 1.760 3.511 21.393 21.580 0.991 possible 2339 320 A PHE CE2 6 C3H1b 0.770 1.760 3.423 24.336 21.680 1.123 possible 2340 320 A PHE CZ 6 C3H1b 0.770 1.760 2.736 18.878 21.666 0.871 [OK] 2341 321 A VAL N 12 N3H1s 0.700 1.640 2.565 13.397 13.676 0.980 [OK] 2342 321 A VAL CA 3 C4H1s 0.770 1.880 3.302 14.754 13.123 1.124 possible 2343 321 A VAL C 1 C3H0s 0.770 1.610 2.306 8.825 8.563 1.031 [OK] 2344 321 A VAL O 16 O1H0u 0.660 1.420 3.006 18.446 16.181 1.140 possible 2345 321 A VAL CB 4 C4H1b 0.770 1.880 3.941 17.291 14.598 1.184 possible 2346 321 A VAL CG1 10 C4H3u 0.770 1.880 49.562 -1.000 36.584 -1.000 bad 2347 321 A VAL CG2 10 C4H3u 0.770 1.880 6.254 53.951 36.332 1.485 possible 2348 322 A VAL N 12 N3H1s 0.700 1.640 2.776 15.440 13.676 1.129 [OK] 2349 322 A VAL CA 3 C4H1s 0.770 1.880 2.939 13.189 13.123 1.005 [OK] 2350 322 A VAL C 1 C3H0s 0.770 1.610 2.408 8.902 8.563 1.040 [OK] 2351 322 A VAL O 16 O1H0u 0.660 1.420 2.490 16.559 16.181 1.023 [OK] 2352 322 A VAL CB 4 C4H1b 0.770 1.880 2.875 13.425 14.598 0.920 [OK] 2353 322 A VAL CG1 10 C4H3u 0.770 1.880 3.271 33.598 36.584 0.918 possible 2354 322 A VAL CG2 10 C4H3u 0.770 1.880 2.909 33.907 36.332 0.933 [OK] 2355 323 A TRP N 12 N3H1s 0.700 1.640 2.773 15.316 13.791 1.111 [OK] 2356 323 A TRP CA 3 C4H1s 0.770 1.880 3.046 15.120 13.377 1.130 possible 2357 323 A TRP C 1 C3H0s 0.770 1.610 2.240 8.137 8.724 0.933 [OK] 2358 323 A TRP O 16 O1H0u 0.660 1.420 2.631 16.780 15.951 1.052 [OK] 2359 323 A TRP CB 8 C4H2s 0.770 1.880 2.738 20.724 24.004 0.863 [OK] 2360 323 A TRP CG 2 C3H0b 0.770 1.610 2.344 8.852 9.965 0.888 [OK] 2361 323 A TRP CD1 5 C3H1s 0.770 1.760 2.788 20.186 20.874 0.967 [OK] 2362 323 A TRP CD2 2 C3H0b 0.770 1.610 2.341 10.036 10.097 0.994 [OK] 2363 323 A TRP NE1 13 N3H1b 0.700 1.640 3.277 18.496 16.969 1.090 possible 2364 323 A TRP CE2 2 C3H0b 0.770 1.610 3.360 11.422 9.889 1.155 possible 2365 323 A TRP CE3 6 C3H1b 0.770 1.760 2.634 20.104 20.448 0.983 [OK] 2366 323 A TRP CZ2 6 C3H1b 0.770 1.760 19.057 -1.000 21.012 -1.000 bad 2367 323 A TRP CZ3 6 C3H1b 0.770 1.760 5.328 37.108 21.516 1.725 possible 2368 323 A TRP CH2 6 C3H1b 0.770 1.760 24.968 -1.000 21.339 -1.000 bad 2369 324 A ALA N 12 N3H1s 0.700 1.640 2.327 12.610 14.046 0.898 [OK] 2370 324 A ALA CA 4 C4H1b 0.770 1.880 2.879 14.860 14.063 1.057 [OK] 2371 324 A ALA C 1 C3H0s 0.770 1.610 2.511 9.226 8.900 1.037 [OK] 2372 324 A ALA O 16 O1H0u 0.660 1.420 2.561 18.128 16.188 1.120 [OK] 2373 324 A ALA CB 10 C4H3u 0.770 1.880 3.178 35.174 36.782 0.956 possible 2374 325 A HIS N 12 N3H1s 0.700 1.640 2.630 13.431 13.715 0.979 [OK] 2375 325 A HIS CA 3 C4H1s 0.770 1.880 2.727 13.739 13.467 1.020 [OK] 2376 325 A HIS C 1 C3H0s 0.770 1.610 2.579 9.527 8.882 1.073 [OK] 2377 325 A HIS O 16 O1H0u 0.660 1.420 2.765 19.170 16.082 1.192 [OK] 2378 325 A HIS CB 8 C4H2s 0.770 1.880 2.891 24.332 23.653 1.029 [OK] 2379 325 A HIS CG 2 C3H0b 0.770 1.610 2.205 8.975 9.952 0.902 [OK] 2380 325 A HIS ND1 13 N3H1b 0.700 1.640 2.442 13.835 15.506 0.892 [OK] 2381 325 A HIS CD2 5 C3H1s 0.770 1.760 2.559 16.482 21.085 0.782 [OK] 2382 325 A HIS CE1 5 C3H1s 0.770 1.760 2.783 19.287 20.636 0.935 [OK] 2383 325 A HIS NE2 13 N3H1b 0.700 1.640 2.547 12.417 15.337 0.810 [OK] 2384 326 A HIS N 12 N3H1s 0.700 1.640 2.583 11.774 13.715 0.858 [OK] 2385 326 A HIS CA 3 C4H1s 0.770 1.880 2.845 14.953 13.467 1.110 [OK] 2386 326 A HIS C 1 C3H0s 0.770 1.610 3.005 10.541 8.882 1.187 possible 2387 326 A HIS O 16 O1H0u 0.660 1.420 3.298 22.044 16.082 1.371 possible 2388 326 A HIS CB 8 C4H2s 0.770 1.880 2.899 22.216 23.653 0.939 [OK] 2389 326 A HIS CG 2 C3H0b 0.770 1.610 2.407 9.444 9.952 0.949 [OK] 2390 326 A HIS ND1 13 N3H1b 0.700 1.640 2.368 14.858 15.506 0.958 [OK] 2391 326 A HIS CD2 5 C3H1s 0.770 1.760 2.952 19.194 21.085 0.910 [OK] 2392 326 A HIS CE1 5 C3H1s 0.770 1.760 3.222 18.857 20.636 0.914 possible 2393 326 A HIS NE2 13 N3H1b 0.700 1.640 3.025 13.943 15.337 0.909 possible 2394 327 A MET N 12 N3H1s 0.700 1.640 2.856 13.298 13.564 0.980 [OK] 2395 327 A MET CA 3 C4H1s 0.770 1.880 3.246 15.859 13.231 1.199 possible 2396 327 A MET C 1 C3H0s 0.770 1.610 2.825 10.077 8.782 1.147 [OK] 2397 327 A MET O 16 O1H0u 0.660 1.420 2.482 16.136 16.277 0.991 [OK] 2398 327 A MET CB 8 C4H2s 0.770 1.880 2.780 20.732 23.645 0.877 [OK] 2399 327 A MET CG 9 C4H2b 0.770 1.880 3.012 24.504 24.009 1.021 possible 2400 327 A MET SD 19 S2H0u 1.040 1.770 2.911 29.521 30.093 0.981 [OK] 2401 327 A MET CE 10 C4H3u 0.770 1.880 3.183 35.467 37.161 0.954 possible 2402 328 A TYR N 12 N3H1s 0.700 1.640 3.039 19.741 13.691 1.442 possible 2403 328 A TYR CA 3 C4H1s 0.770 1.880 2.854 14.300 13.330 1.073 [OK] 2404 328 A TYR C 1 C3H0s 0.770 1.610 2.646 8.995 8.770 1.026 [OK] 2405 328 A TYR O 16 O1H0u 0.660 1.420 2.892 25.019 16.124 1.552 [OK] 2406 328 A TYR CB 8 C4H2s 0.770 1.880 3.251 32.633 23.678 1.378 possible 2407 328 A TYR CG 2 C3H0b 0.770 1.610 2.733 11.118 9.732 1.142 [OK] 2408 328 A TYR CD1 5 C3H1s 0.770 1.760 2.814 23.783 20.171 1.179 [OK] 2409 328 A TYR CD2 5 C3H1s 0.770 1.760 2.963 19.032 20.728 0.918 [OK] 2410 328 A TYR CE1 5 C3H1s 0.770 1.760 2.916 24.473 20.675 1.184 [OK] 2411 328 A TYR CE2 5 C3H1s 0.770 1.760 2.962 21.620 20.810 1.039 [OK] 2412 328 A TYR CZ 2 C3H0b 0.770 1.610 2.553 10.022 9.926 1.010 [OK] 2413 328 A TYR OH 17 O2H1u 0.660 1.460 2.479 20.788 19.173 1.084 [OK] 2414 329 A THR N 12 N3H1s 0.700 1.640 2.844 14.949 13.832 1.081 [OK] 2415 329 A THR CA 3 C4H1s 0.770 1.880 2.954 15.409 13.099 1.176 [OK] 2416 329 A THR C 1 C3H0s 0.770 1.610 2.704 9.530 8.738 1.091 [OK] 2417 329 A THR O 16 O1H0u 0.660 1.420 2.712 14.264 16.020 0.890 [OK] 2418 329 A THR CB 4 C4H1b 0.770 1.880 2.964 15.595 14.829 1.052 [OK] 2419 329 A THR OG1 17 O2H1u 0.660 1.460 2.784 20.468 18.123 1.129 [OK] 2420 329 A THR CG2 10 C4H3u 0.770 1.880 3.246 38.494 36.542 1.053 possible 2421 330 A ALA N 12 N3H1s 0.700 1.640 2.984 15.448 14.046 1.100 [OK] 2422 330 A ALA CA 4 C4H1b 0.770 1.880 3.120 13.193 14.063 0.938 possible 2423 330 A ALA C 1 C3H0s 0.770 1.610 3.044 10.504 8.900 1.180 possible 2424 330 A ALA O 16 O1H0u 0.660 1.420 3.053 27.539 16.188 1.701 possible 2425 330 A ALA CB 10 C4H3u 0.770 1.880 3.308 40.406 36.782 1.099 possible 2426 331 A GLY N 12 N3H1s 0.700 1.640 3.258 18.378 14.854 1.237 possible 2427 331 A GLY CA 8 C4H2s 0.770 1.880 4.934 41.463 23.688 1.750 possible 2428 331 A GLY C 2 C3H0b 0.770 1.610 4.889 14.446 9.840 1.468 possible 2429 331 A GLY O 16 O1H0u 0.660 1.420 5.987 54.323 16.391 3.314 possible 2430 332 A MET N 12 N3H1s 0.700 1.640 3.260 18.360 13.564 1.354 possible 2431 332 A MET CA 3 C4H1s 0.770 1.880 3.342 15.005 13.231 1.134 possible 2432 332 A MET C 1 C3H0s 0.770 1.610 4.560 10.950 8.782 1.247 possible 2433 332 A MET O 16 O1H0u 0.660 1.420 5.543 40.147 16.277 2.466 possible 2434 332 A MET CB 8 C4H2s 0.770 1.880 2.971 21.803 23.645 0.922 [OK] 2435 332 A MET CG 9 C4H2b 0.770 1.880 3.732 35.267 24.009 1.469 possible 2436 332 A MET SD 19 S2H0u 1.040 1.770 2.839 30.415 30.093 1.011 [OK] 2437 332 A MET CE 10 C4H3u 0.770 1.880 3.325 36.573 37.161 0.984 possible 2438 333 A SER N 12 N3H1s 0.700 1.640 5.414 27.337 14.103 1.938 possible 2439 333 A SER CA 3 C4H1s 0.770 1.880 12.005 -1.000 13.476 -1.000 bad 2440 333 A SER C 1 C3H0s 0.770 1.610 2.274 8.031 8.923 0.900 [OK] 2441 333 A SER O 16 O1H0u 0.660 1.420 2.138 13.298 16.179 0.822 [OK] 2442 333 A SER CB 8 C4H2s 0.770 1.880 38.136 -1.000 23.884 -1.000 bad 2443 333 A SER OG 17 O2H1u 0.660 1.460 4.633 -1.000 18.732 -1.000 bad 2444 334 A LEU N 12 N3H1s 0.700 1.640 7.108 39.631 13.655 2.902 possible 2445 334 A LEU CA 3 C4H1s 0.770 1.880 2.823 14.663 13.122 1.117 [OK] 2446 334 A LEU C 1 C3H0s 0.770 1.610 2.850 8.404 8.825 0.952 [OK] 2447 334 A LEU O 16 O1H0u 0.660 1.420 2.624 16.696 16.208 1.030 [OK] 2448 334 A LEU CB 8 C4H2s 0.770 1.880 7.123 56.463 22.951 2.460 possible 2449 334 A LEU CG 4 C4H1b 0.770 1.880 3.714 16.886 14.764 1.144 possible 2450 334 A LEU CD1 10 C4H3u 0.770 1.880 2.978 32.816 37.425 0.877 [OK] 2451 334 A LEU CD2 10 C4H3u 0.770 1.880 5.190 59.020 37.143 1.589 possible 2452 335 A THR N 12 N3H1s 0.700 1.640 3.169 16.439 13.832 1.189 possible 2453 335 A THR CA 3 C4H1s 0.770 1.880 3.818 18.206 13.099 1.390 possible 2454 335 A THR C 1 C3H0s 0.770 1.610 2.838 8.127 8.738 0.930 [OK] 2455 335 A THR O 16 O1H0u 0.660 1.420 3.845 19.401 16.020 1.211 possible 2456 335 A THR CB 4 C4H1b 0.770 1.880 6.632 22.397 14.829 1.510 possible 2457 335 A THR OG1 17 O2H1u 0.660 1.460 35.157 -1.000 18.123 -1.000 bad 2458 335 A THR CG2 10 C4H3u 0.770 1.880 58.108 -1.000 36.542 -1.000 bad 2459 336 A GLN N 12 N3H1s 0.700 1.640 3.207 14.095 13.616 1.035 possible 2460 336 A GLN CA 3 C4H1s 0.770 1.880 4.442 19.933 13.334 1.495 possible 2461 336 A GLN C 1 C3H0s 0.770 1.610 2.108 7.923 8.787 0.902 [OK] 2462 336 A GLN O 16 O1H0u 0.660 1.420 2.517 15.259 15.993 0.954 [OK] 2463 336 A GLN CB 8 C4H2s 0.770 1.880 2.955 20.945 23.275 0.900 [OK] 2464 336 A GLN CG 8 C4H2s 0.770 1.880 18.592 -1.000 23.465 -1.000 bad 2465 336 A GLN CD 2 C3H0b 0.770 1.610 5.335 15.053 9.659 1.558 possible 2466 336 A GLN OE1 16 O1H0u 0.660 1.420 7.413 50.186 17.091 2.936 possible 2467 336 A GLN NE2 15 N3H2u 0.700 1.640 39.513 -1.000 24.150 -1.000 bad 2468 337 A GLN N 12 N3H1s 0.700 1.640 2.300 12.435 13.616 0.913 [OK] 2469 337 A GLN CA 3 C4H1s 0.770 1.880 2.992 15.164 13.334 1.137 [OK] 2470 337 A GLN C 1 C3H0s 0.770 1.610 2.497 8.469 8.787 0.964 [OK] 2471 337 A GLN O 16 O1H0u 0.660 1.420 2.422 18.719 15.993 1.170 [OK] 2472 337 A GLN CB 8 C4H2s 0.770 1.880 2.845 24.616 23.275 1.058 [OK] 2473 337 A GLN CG 8 C4H2s 0.770 1.880 2.945 23.655 23.465 1.008 [OK] 2474 337 A GLN CD 2 C3H0b 0.770 1.610 2.620 10.764 9.659 1.114 [OK] 2475 337 A GLN OE1 16 O1H0u 0.660 1.420 2.473 19.577 17.091 1.145 [OK] 2476 337 A GLN NE2 15 N3H2u 0.700 1.640 3.134 27.911 24.150 1.156 possible 2477 338 A ALA N 12 N3H1s 0.700 1.640 2.337 12.736 14.046 0.907 [OK] 2478 338 A ALA CA 4 C4H1b 0.770 1.880 2.689 14.148 14.063 1.006 [OK] 2479 338 A ALA C 1 C3H0s 0.770 1.610 2.763 8.779 8.900 0.986 [OK] 2480 338 A ALA O 16 O1H0u 0.660 1.420 2.450 15.736 16.188 0.972 [OK] 2481 338 A ALA CB 10 C4H3u 0.770 1.880 5.730 59.955 36.782 1.630 possible 2482 339 A TYR N 12 N3H1s 0.700 1.640 4.365 16.510 13.691 1.206 possible 2483 339 A TYR CA 3 C4H1s 0.770 1.880 4.442 17.880 13.330 1.341 possible 2484 339 A TYR C 1 C3H0s 0.770 1.610 2.245 7.564 8.770 0.862 [OK] 2485 339 A TYR O 16 O1H0u 0.660 1.420 2.787 14.725 16.124 0.913 [OK] 2486 339 A TYR CB 8 C4H2s 0.770 1.880 6.442 54.778 23.678 2.313 possible 2487 339 A TYR CG 2 C3H0b 0.770 1.610 0.952 -1.000 9.732 -1.000 bad 2488 339 A TYR CD1 5 C3H1s 0.770 1.760 20.741 -1.000 20.171 -1.000 bad 2489 339 A TYR CD2 5 C3H1s 0.770 1.760 8.027 -1.000 20.728 -1.000 bad 2490 339 A TYR CE1 5 C3H1s 0.770 1.760 24.346 -1.000 20.675 -1.000 bad 2491 339 A TYR CE2 5 C3H1s 0.770 1.760 9.633 -1.000 20.810 -1.000 bad 2492 339 A TYR CZ 2 C3H0b 0.770 1.610 1.986 -1.000 9.926 -1.000 bad 2493 339 A TYR OH 17 O2H1u 0.660 1.460 14.514 -1.000 19.173 -1.000 bad 2494 340 A PHE N 12 N3H1s 0.700 1.640 2.268 12.492 13.691 0.912 [OK] 2495 340 A PHE CA 3 C4H1s 0.770 1.880 2.935 14.362 13.449 1.068 [OK] 2496 340 A PHE C 1 C3H0s 0.770 1.610 2.527 8.552 8.753 0.977 [OK] 2497 340 A PHE O 16 O1H0u 0.660 1.420 2.457 15.354 16.151 0.951 [OK] 2498 340 A PHE CB 8 C4H2s 0.770 1.880 3.075 28.860 23.777 1.214 possible 2499 340 A PHE CG 2 C3H0b 0.770 1.610 2.588 9.458 9.721 0.973 [OK] 2500 340 A PHE CD1 5 C3H1s 0.770 1.760 2.906 20.107 20.405 0.985 [OK] 2501 340 A PHE CD2 6 C3H1b 0.770 1.760 2.753 16.721 21.051 0.794 [OK] 2502 340 A PHE CE1 6 C3H1b 0.770 1.760 3.021 19.471 21.580 0.902 possible 2503 340 A PHE CE2 6 C3H1b 0.770 1.760 5.883 38.610 21.680 1.781 possible 2504 340 A PHE CZ 6 C3H1b 0.770 1.760 5.221 29.643 21.666 1.368 possible 2505 341 A MET N 12 N3H1s 0.700 1.640 2.420 13.451 13.564 0.992 [OK] 2506 341 A MET CA 3 C4H1s 0.770 1.880 2.784 13.596 13.231 1.028 [OK] 2507 341 A MET C 1 C3H0s 0.770 1.610 2.131 7.908 8.782 0.900 [OK] 2508 341 A MET O 16 O1H0u 0.660 1.420 2.371 14.341 16.277 0.881 [OK] 2509 341 A MET CB 8 C4H2s 0.770 1.880 2.913 23.127 23.645 0.978 [OK] 2510 341 A MET CG 9 C4H2b 0.770 1.880 2.771 20.820 24.009 0.867 [OK] 2511 341 A MET SD 19 S2H0u 1.040 1.770 2.881 26.972 30.093 0.896 [OK] 2512 341 A MET CE 10 C4H3u 0.770 1.880 3.186 38.607 37.161 1.039 possible 2513 342 A LEU N 12 N3H1s 0.700 1.640 2.555 12.528 13.655 0.917 [OK] 2514 342 A LEU CA 3 C4H1s 0.770 1.880 2.761 11.492 13.122 0.876 [OK] 2515 342 A LEU C 1 C3H0s 0.770 1.610 3.542 9.448 8.825 1.071 possible 2516 342 A LEU O 16 O1H0u 0.660 1.420 3.095 16.555 16.208 1.021 possible 2517 342 A LEU CB 8 C4H2s 0.770 1.880 6.813 47.289 22.951 2.060 possible 2518 342 A LEU CG 4 C4H1b 0.770 1.880 2.844 13.847 14.764 0.938 [OK] 2519 342 A LEU CD1 10 C4H3u 0.770 1.880 41.476 -1.000 37.425 -1.000 bad 2520 342 A LEU CD2 10 C4H3u 0.770 1.880 3.268 36.834 37.143 0.992 possible 2521 343 A ALA N 12 N3H1s 0.700 1.640 4.589 16.594 14.046 1.181 possible 2522 343 A ALA CA 4 C4H1b 0.770 1.880 5.191 22.011 14.063 1.565 possible 2523 343 A ALA C 1 C3H0s 0.770 1.610 2.014 7.654 8.900 0.860 [OK] 2524 343 A ALA O 16 O1H0u 0.660 1.420 3.067 19.404 16.188 1.199 possible 2525 343 A ALA CB 10 C4H3u 0.770 1.880 5.420 48.753 36.782 1.325 possible 2526 344 A THR N 12 N3H1s 0.700 1.640 2.341 12.060 13.832 0.872 [OK] 2527 344 A THR CA 3 C4H1s 0.770 1.880 2.909 13.812 13.099 1.054 [OK] 2528 344 A THR C 1 C3H0s 0.770 1.610 2.479 8.198 8.738 0.938 [OK] 2529 344 A THR O 16 O1H0u 0.660 1.420 2.832 19.067 16.020 1.190 [OK] 2530 344 A THR CB 4 C4H1b 0.770 1.880 2.923 15.335 14.829 1.034 [OK] 2531 344 A THR OG1 17 O2H1u 0.660 1.460 2.540 18.400 18.123 1.015 [OK] 2532 344 A THR CG2 10 C4H3u 0.770 1.880 2.905 30.737 36.542 0.841 [OK] 2533 345 A MET N 12 N3H1s 0.700 1.640 2.515 12.590 13.564 0.928 [OK] 2534 345 A MET CA 3 C4H1s 0.770 1.880 3.347 18.433 13.231 1.393 possible 2535 345 A MET C 1 C3H0s 0.770 1.610 2.378 8.819 8.782 1.004 [OK] 2536 345 A MET O 16 O1H0u 0.660 1.420 2.888 17.036 16.277 1.047 [OK] 2537 345 A MET CB 8 C4H2s 0.770 1.880 3.102 24.253 23.645 1.026 possible 2538 345 A MET CG 9 C4H2b 0.770 1.880 3.065 22.519 24.009 0.938 possible 2539 345 A MET SD 19 S2H0u 1.040 1.770 3.247 34.707 30.093 1.153 possible 2540 345 A MET CE 10 C4H3u 0.770 1.880 3.186 34.188 37.161 0.920 possible 2541 346 A THR N 12 N3H1s 0.700 1.640 2.346 13.404 13.832 0.969 [OK] 2542 346 A THR CA 3 C4H1s 0.770 1.880 3.117 15.195 13.099 1.160 possible 2543 346 A THR C 1 C3H0s 0.770 1.610 2.306 7.984 8.738 0.914 [OK] 2544 346 A THR O 16 O1H0u 0.660 1.420 3.793 17.704 16.020 1.105 possible 2545 346 A THR CB 4 C4H1b 0.770 1.880 12.452 -1.000 14.829 -1.000 bad 2546 346 A THR OG1 17 O2H1u 0.660 1.460 3.965 26.026 18.123 1.436 possible 2547 346 A THR CG2 10 C4H3u 0.770 1.880 25.528 -1.000 36.542 -1.000 bad 2548 347 A ILE N 12 N3H1s 0.700 1.640 2.537 14.056 13.633 1.031 [OK] 2549 347 A ILE CA 3 C4H1s 0.770 1.880 3.139 14.238 13.007 1.095 possible 2550 347 A ILE C 1 C3H0s 0.770 1.610 2.612 8.488 8.470 1.002 [OK] 2551 347 A ILE O 16 O1H0u 0.660 1.420 2.930 19.437 16.144 1.204 [OK] 2552 347 A ILE CB 4 C4H1b 0.770 1.880 3.456 18.450 14.227 1.297 possible 2553 347 A ILE CG1 9 C4H2b 0.770 1.880 3.203 23.741 24.187 0.982 possible 2554 347 A ILE CG2 10 C4H3u 0.770 1.880 3.347 39.754 35.961 1.105 possible 2555 347 A ILE CD1 10 C4H3u 0.770 1.880 3.347 37.480 38.377 0.977 possible 2556 348 A ALA N 12 N3H1s 0.700 1.640 3.020 14.175 14.046 1.009 possible 2557 348 A ALA CA 4 C4H1b 0.770 1.880 3.102 14.162 14.063 1.007 possible 2558 348 A ALA C 1 C3H0s 0.770 1.610 2.691 9.356 8.900 1.051 [OK] 2559 348 A ALA O 16 O1H0u 0.660 1.420 2.687 16.263 16.188 1.005 [OK] 2560 348 A ALA CB 10 C4H3u 0.770 1.880 3.372 39.188 36.782 1.065 possible 2561 349 A VAL N 12 N3H1s 0.700 1.640 2.847 14.175 13.676 1.037 [OK] 2562 349 A VAL CA 3 C4H1s 0.770 1.880 3.223 16.087 13.123 1.226 possible 2563 349 A VAL C 1 C3H0s 0.770 1.610 2.558 8.012 8.563 0.936 [OK] 2564 349 A VAL O 16 O1H0u 0.660 1.420 2.936 18.137 16.181 1.121 [OK] 2565 349 A VAL CB 4 C4H1b 0.770 1.880 4.280 15.120 14.598 1.036 possible 2566 349 A VAL CG1 10 C4H3u 0.770 1.880 20.480 -1.000 36.584 -1.000 bad 2567 349 A VAL CG2 10 C4H3u 0.770 1.880 4.972 48.662 36.332 1.339 possible 2568 350 A PRO N 11 N3H0u 0.700 1.640 2.785 8.359 8.823 0.947 [OK] 2569 350 A PRO CA 4 C4H1b 0.770 1.880 4.433 19.205 13.955 1.376 possible 2570 350 A PRO C 1 C3H0s 0.770 1.610 2.491 8.256 8.812 0.937 [OK] 2571 350 A PRO O 16 O1H0u 0.660 1.420 2.456 16.531 16.169 1.022 [OK] 2572 350 A PRO CB 9 C4H2b 0.770 1.880 4.326 27.174 25.563 1.063 possible 2573 350 A PRO CG 9 C4H2b 0.770 1.880 5.943 52.181 25.832 2.020 possible 2574 350 A PRO CD 8 C4H2s 0.770 1.880 4.215 23.215 23.836 0.974 possible 2575 351 A THR N 12 N3H1s 0.700 1.640 2.575 13.867 13.832 1.003 [OK] 2576 351 A THR CA 3 C4H1s 0.770 1.880 3.186 14.958 13.099 1.142 possible 2577 351 A THR C 1 C3H0s 0.770 1.610 2.273 8.176 8.738 0.936 [OK] 2578 351 A THR O 16 O1H0u 0.660 1.420 2.976 16.334 16.020 1.020 [OK] 2579 351 A THR CB 4 C4H1b 0.770 1.880 2.565 14.302 14.829 0.964 [OK] 2580 351 A THR OG1 17 O2H1u 0.660 1.460 3.338 26.293 18.123 1.451 possible 2581 351 A THR CG2 10 C4H3u 0.770 1.880 3.493 40.014 36.542 1.095 possible 2582 352 A GLY N 12 N3H1s 0.700 1.640 2.245 10.951 14.854 0.737 [OK] 2583 352 A GLY CA 8 C4H2s 0.770 1.880 3.388 27.485 23.688 1.160 possible 2584 352 A GLY C 2 C3H0b 0.770 1.610 3.037 9.991 9.840 1.015 possible 2585 352 A GLY O 16 O1H0u 0.660 1.420 2.639 15.000 16.391 0.915 [OK] 2586 353 A ILE N 12 N3H1s 0.700 1.640 3.144 14.635 13.633 1.073 possible 2587 353 A ILE CA 3 C4H1s 0.770 1.880 2.913 14.249 13.007 1.095 [OK] 2588 353 A ILE C 1 C3H0s 0.770 1.610 2.485 7.610 8.470 0.898 [OK] 2589 353 A ILE O 16 O1H0u 0.660 1.420 2.348 14.792 16.144 0.916 [OK] 2590 353 A ILE CB 4 C4H1b 0.770 1.880 2.939 13.696 14.227 0.963 [OK] 2591 353 A ILE CG1 9 C4H2b 0.770 1.880 5.968 51.834 24.187 2.143 possible 2592 353 A ILE CG2 10 C4H3u 0.770 1.880 3.864 47.288 35.961 1.315 possible 2593 353 A ILE CD1 10 C4H3u 0.770 1.880 4.876 45.341 38.377 1.181 possible 2594 354 A LYS N 12 N3H1s 0.700 1.640 2.654 13.627 13.675 0.997 [OK] 2595 354 A LYS CA 3 C4H1s 0.770 1.880 2.612 12.678 13.324 0.952 [OK] 2596 354 A LYS C 1 C3H0s 0.770 1.610 2.246 8.122 8.759 0.927 [OK] 2597 354 A LYS O 16 O1H0u 0.660 1.420 2.310 14.290 16.049 0.890 [OK] 2598 354 A LYS CB 8 C4H2s 0.770 1.880 3.447 26.541 22.904 1.159 possible 2599 354 A LYS CG 8 C4H2s 0.770 1.880 2.993 23.141 23.131 1.000 [OK] 2600 354 A LYS CD 8 C4H2s 0.770 1.880 3.216 27.475 23.837 1.153 possible 2601 354 A LYS CE 9 C4H2b 0.770 1.880 3.063 23.063 23.934 0.964 possible 2602 354 A LYS NZ 14 N4H3u 0.700 1.640 2.521 22.300 21.213 1.051 [OK] 2603 355 A VAL N 12 N3H1s 0.700 1.640 2.634 12.778 13.676 0.934 [OK] 2604 355 A VAL CA 3 C4H1s 0.770 1.880 2.888 12.901 13.123 0.983 [OK] 2605 355 A VAL C 1 C3H0s 0.770 1.610 2.560 8.084 8.563 0.944 [OK] 2606 355 A VAL O 16 O1H0u 0.660 1.420 2.468 16.463 16.181 1.017 [OK] 2607 355 A VAL CB 4 C4H1b 0.770 1.880 3.106 16.301 14.598 1.117 possible 2608 355 A VAL CG1 10 C4H3u 0.770 1.880 3.617 52.684 36.584 1.440 possible 2609 355 A VAL CG2 10 C4H3u 0.770 1.880 3.535 43.140 36.332 1.187 possible 2610 356 A PHE N 12 N3H1s 0.700 1.640 2.592 12.638 13.691 0.923 [OK] 2611 356 A PHE CA 3 C4H1s 0.770 1.880 2.798 12.309 13.449 0.915 [OK] 2612 356 A PHE C 1 C3H0s 0.770 1.610 2.029 8.046 8.753 0.919 [OK] 2613 356 A PHE O 16 O1H0u 0.660 1.420 2.348 13.239 16.151 0.820 [OK] 2614 356 A PHE CB 8 C4H2s 0.770 1.880 2.791 20.915 23.777 0.880 [OK] 2615 356 A PHE CG 2 C3H0b 0.770 1.610 2.839 10.395 9.721 1.069 [OK] 2616 356 A PHE CD1 5 C3H1s 0.770 1.760 3.167 24.511 20.405 1.201 possible 2617 356 A PHE CD2 6 C3H1b 0.770 1.760 2.954 20.836 21.051 0.990 [OK] 2618 356 A PHE CE1 6 C3H1b 0.770 1.760 3.411 27.501 21.580 1.274 possible 2619 356 A PHE CE2 6 C3H1b 0.770 1.760 3.683 29.266 21.680 1.350 possible 2620 356 A PHE CZ 6 C3H1b 0.770 1.760 4.055 39.696 21.666 1.832 possible 2621 357 A SER N 12 N3H1s 0.700 1.640 2.307 12.222 14.103 0.867 [OK] 2622 357 A SER CA 3 C4H1s 0.770 1.880 2.537 13.607 13.476 1.010 [OK] 2623 357 A SER C 1 C3H0s 0.770 1.610 2.781 8.706 8.923 0.976 [OK] 2624 357 A SER O 16 O1H0u 0.660 1.420 2.589 13.270 16.179 0.820 [OK] 2625 357 A SER CB 8 C4H2s 0.770 1.880 3.041 22.161 23.884 0.928 possible 2626 357 A SER OG 17 O2H1u 0.660 1.460 2.625 24.873 18.732 1.328 [OK] 2627 358 A TRP N 12 N3H1s 0.700 1.640 2.710 13.225 13.791 0.959 [OK] 2628 358 A TRP CA 3 C4H1s 0.770 1.880 2.899 13.930 13.377 1.041 [OK] 2629 358 A TRP C 1 C3H0s 0.770 1.610 2.478 8.430 8.724 0.966 [OK] 2630 358 A TRP O 16 O1H0u 0.660 1.420 2.569 14.904 15.951 0.934 [OK] 2631 358 A TRP CB 8 C4H2s 0.770 1.880 3.007 25.379 24.004 1.057 possible 2632 358 A TRP CG 2 C3H0b 0.770 1.610 2.647 10.732 9.965 1.077 [OK] 2633 358 A TRP CD1 5 C3H1s 0.770 1.760 2.891 22.717 20.874 1.088 [OK] 2634 358 A TRP CD2 2 C3H0b 0.770 1.610 2.453 9.960 10.097 0.986 [OK] 2635 358 A TRP NE1 13 N3H1b 0.700 1.640 2.440 15.309 16.969 0.902 [OK] 2636 358 A TRP CE2 2 C3H0b 0.770 1.610 2.425 9.757 9.889 0.987 [OK] 2637 358 A TRP CE3 6 C3H1b 0.770 1.760 2.998 18.114 20.448 0.886 [OK] 2638 358 A TRP CZ2 6 C3H1b 0.770 1.760 2.514 18.723 21.012 0.891 [OK] 2639 358 A TRP CZ3 6 C3H1b 0.770 1.760 3.432 28.477 21.516 1.324 possible 2640 358 A TRP CH2 6 C3H1b 0.770 1.760 2.978 20.980 21.339 0.983 [OK] 2641 359 A ILE N 12 N3H1s 0.700 1.640 2.712 12.579 13.633 0.923 [OK] 2642 359 A ILE CA 3 C4H1s 0.770 1.880 2.526 11.173 13.007 0.859 [OK] 2643 359 A ILE C 1 C3H0s 0.770 1.610 2.560 7.617 8.470 0.899 [OK] 2644 359 A ILE O 16 O1H0u 0.660 1.420 2.409 15.196 16.144 0.941 [OK] 2645 359 A ILE CB 4 C4H1b 0.770 1.880 2.827 12.816 14.227 0.901 [OK] 2646 359 A ILE CG1 9 C4H2b 0.770 1.880 3.188 24.544 24.187 1.015 possible 2647 359 A ILE CG2 10 C4H3u 0.770 1.880 2.986 34.534 35.961 0.960 [OK] 2648 359 A ILE CD1 10 C4H3u 0.770 1.880 3.617 42.615 38.377 1.110 possible 2649 360 A ALA N 12 N3H1s 0.700 1.640 2.610 12.316 14.046 0.877 [OK] 2650 360 A ALA CA 4 C4H1b 0.770 1.880 2.857 14.146 14.063 1.006 [OK] 2651 360 A ALA C 1 C3H0s 0.770 1.610 2.330 8.255 8.900 0.928 [OK] 2652 360 A ALA O 16 O1H0u 0.660 1.420 2.380 13.658 16.188 0.844 [OK] 2653 360 A ALA CB 10 C4H3u 0.770 1.880 3.119 31.648 36.782 0.860 possible 2654 361 A THR N 12 N3H1s 0.700 1.640 2.311 11.364 13.832 0.822 [OK] 2655 361 A THR CA 3 C4H1s 0.770 1.880 3.129 14.464 13.099 1.104 possible 2656 361 A THR C 1 C3H0s 0.770 1.610 2.215 7.273 8.738 0.832 [OK] 2657 361 A THR O 16 O1H0u 0.660 1.420 2.728 14.810 16.020 0.924 [OK] 2658 361 A THR CB 4 C4H1b 0.770 1.880 2.999 13.732 14.829 0.926 [OK] 2659 361 A THR OG1 17 O2H1u 0.660 1.460 2.623 17.641 18.123 0.973 [OK] 2660 361 A THR CG2 10 C4H3u 0.770 1.880 2.949 35.790 36.542 0.979 [OK] 2661 362 A MET N 12 N3H1s 0.700 1.640 2.393 12.255 13.564 0.903 [OK] 2662 362 A MET CA 3 C4H1s 0.770 1.880 2.830 12.764 13.231 0.965 [OK] 2663 362 A MET C 1 C3H0s 0.770 1.610 2.477 8.905 8.782 1.014 [OK] 2664 362 A MET O 16 O1H0u 0.660 1.420 2.595 19.434 16.277 1.194 [OK] 2665 362 A MET CB 8 C4H2s 0.770 1.880 2.688 20.337 23.645 0.860 [OK] 2666 362 A MET CG 9 C4H2b 0.770 1.880 2.717 20.870 24.009 0.869 [OK] 2667 362 A MET SD 19 S2H0u 1.040 1.770 2.818 27.280 30.093 0.907 [OK] 2668 362 A MET CE 10 C4H3u 0.770 1.880 3.007 32.996 37.161 0.888 possible 2669 363 A TRP N 12 N3H1s 0.700 1.640 2.447 12.070 13.791 0.875 [OK] 2670 363 A TRP CA 3 C4H1s 0.770 1.880 2.653 13.436 13.377 1.004 [OK] 2671 363 A TRP C 1 C3H0s 0.770 1.610 2.501 8.183 8.724 0.938 [OK] 2672 363 A TRP O 16 O1H0u 0.660 1.420 3.870 17.211 15.951 1.079 possible 2673 363 A TRP CB 8 C4H2s 0.770 1.880 2.832 20.327 24.004 0.847 [OK] 2674 363 A TRP CG 2 C3H0b 0.770 1.610 2.428 9.189 9.965 0.922 [OK] 2675 363 A TRP CD1 5 C3H1s 0.770 1.760 4.702 26.099 20.874 1.250 possible 2676 363 A TRP CD2 2 C3H0b 0.770 1.610 2.414 9.267 10.097 0.918 [OK] 2677 363 A TRP NE1 13 N3H1b 0.700 1.640 16.848 -1.000 16.969 -1.000 bad 2678 363 A TRP CE2 2 C3H0b 0.770 1.610 2.931 10.037 9.889 1.015 [OK] 2679 363 A TRP CE3 6 C3H1b 0.770 1.760 2.749 20.490 20.448 1.002 [OK] 2680 363 A TRP CZ2 6 C3H1b 0.770 1.760 26.275 -1.000 21.012 -1.000 bad 2681 363 A TRP CZ3 6 C3H1b 0.770 1.760 2.737 22.725 21.516 1.056 [OK] 2682 363 A TRP CH2 6 C3H1b 0.770 1.760 5.658 31.497 21.339 1.476 possible 2683 364 A GLY N 12 N3H1s 0.700 1.640 2.583 13.098 14.854 0.882 [OK] 2684 364 A GLY CA 8 C4H2s 0.770 1.880 4.426 25.828 23.688 1.090 possible 2685 364 A GLY C 2 C3H0b 0.770 1.610 3.020 10.429 9.840 1.060 possible 2686 364 A GLY O 16 O1H0u 0.660 1.420 2.576 14.026 16.391 0.856 [OK] 2687 365 A GLY N 12 N3H1s 0.700 1.640 3.919 18.436 14.854 1.241 possible 2688 365 A GLY CA 8 C4H2s 0.770 1.880 2.687 17.646 23.688 0.745 [OK] 2689 365 A GLY C 2 C3H0b 0.770 1.610 2.467 9.769 9.840 0.993 [OK] 2690 365 A GLY O 16 O1H0u 0.660 1.420 2.553 16.985 16.391 1.036 [OK] 2691 366 A SER N 12 N3H1s 0.700 1.640 2.386 12.995 14.103 0.921 [OK] 2692 366 A SER CA 3 C4H1s 0.770 1.880 2.448 11.679 13.476 0.867 [OK] 2693 366 A SER C 1 C3H0s 0.770 1.610 2.745 9.314 8.923 1.044 [OK] 2694 366 A SER O 16 O1H0u 0.660 1.420 2.557 15.224 16.179 0.941 [OK] 2695 366 A SER CB 8 C4H2s 0.770 1.880 2.712 21.426 23.884 0.897 [OK] 2696 366 A SER OG 17 O2H1u 0.660 1.460 3.197 22.485 18.732 1.200 possible 2697 367 A ILE N 12 N3H1s 0.700 1.640 2.791 12.545 13.633 0.920 [OK] 2698 367 A ILE CA 3 C4H1s 0.770 1.880 2.763 11.586 13.007 0.891 [OK] 2699 367 A ILE C 1 C3H0s 0.770 1.610 2.712 8.613 8.470 1.017 [OK] 2700 367 A ILE O 16 O1H0u 0.660 1.420 4.113 22.360 16.144 1.385 possible 2701 367 A ILE CB 4 C4H1b 0.770 1.880 3.068 14.196 14.227 0.998 possible 2702 367 A ILE CG1 9 C4H2b 0.770 1.880 2.882 22.584 24.187 0.934 [OK] 2703 367 A ILE CG2 10 C4H3u 0.770 1.880 2.776 32.075 35.961 0.892 [OK] 2704 367 A ILE CD1 10 C4H3u 0.770 1.880 3.031 37.280 38.377 0.971 possible 2705 368 A GLU N 12 N3H1s 0.700 1.640 2.821 15.733 13.615 1.156 [OK] 2706 368 A GLU CA 3 C4H1s 0.770 1.880 4.767 18.344 13.399 1.369 possible 2707 368 A GLU C 1 C3H0s 0.770 1.610 2.503 9.076 8.675 1.046 [OK] 2708 368 A GLU O 16 O1H0u 0.660 1.420 2.321 17.248 16.023 1.076 [OK] 2709 368 A GLU CB 8 C4H2s 0.770 1.880 4.138 31.387 23.529 1.334 possible 2710 368 A GLU CG 8 C4H2s 0.770 1.880 4.861 33.204 23.513 1.412 possible 2711 368 A GLU CD 2 C3H0b 0.770 1.610 2.898 9.894 9.460 1.046 [OK] 2712 368 A GLU OE1 16 O1H0u 0.660 1.420 22.124 -1.000 15.999 -1.000 bad 2713 368 A GLU OE2 16 O1H0u 0.660 1.420 6.406 40.912 17.432 2.347 possible 2714 369 A PHE N 12 N3H1s 0.700 1.640 4.179 24.079 13.691 1.759 possible 2715 369 A PHE CA 3 C4H1s 0.770 1.880 2.926 13.290 13.449 0.988 [OK] 2716 369 A PHE C 1 C3H0s 0.770 1.610 3.101 11.017 8.753 1.259 possible 2717 369 A PHE O 16 O1H0u 0.660 1.420 2.575 17.605 16.151 1.090 [OK] 2718 369 A PHE CB 8 C4H2s 0.770 1.880 2.931 23.572 23.777 0.991 [OK] 2719 369 A PHE CG 2 C3H0b 0.770 1.610 2.607 10.211 9.721 1.050 [OK] 2720 369 A PHE CD1 5 C3H1s 0.770 1.760 3.072 24.928 20.405 1.222 possible 2721 369 A PHE CD2 6 C3H1b 0.770 1.760 4.430 35.453 21.051 1.684 possible 2722 369 A PHE CE1 6 C3H1b 0.770 1.760 2.938 23.021 21.580 1.067 [OK] 2723 369 A PHE CE2 6 C3H1b 0.770 1.760 3.933 24.787 21.680 1.143 possible 2724 369 A PHE CZ 6 C3H1b 0.770 1.760 2.898 21.819 21.666 1.007 [OK] 2725 370 A LYS N 12 N3H1s 0.700 1.640 2.991 14.962 13.675 1.094 [OK] 2726 370 A LYS CA 3 C4H1s 0.770 1.880 2.961 14.139 13.324 1.061 [OK] 2727 370 A LYS C 1 C3H0s 0.770 1.610 2.451 8.854 8.759 1.011 [OK] 2728 370 A LYS O 16 O1H0u 0.660 1.420 2.480 14.179 16.049 0.883 [OK] 2729 370 A LYS CB 8 C4H2s 0.770 1.880 3.085 23.812 22.904 1.040 possible 2730 370 A LYS CG 8 C4H2s 0.770 1.880 3.398 26.064 23.131 1.127 possible 2731 370 A LYS CD 8 C4H2s 0.770 1.880 3.722 34.800 23.837 1.460 possible 2732 370 A LYS CE 9 C4H2b 0.770 1.880 32.159 -1.000 23.934 -1.000 bad 2733 370 A LYS NZ 14 N4H3u 0.700 1.640 23.938 -1.000 21.213 -1.000 bad 2734 371 A THR N 12 N3H1s 0.700 1.640 2.435 13.632 13.832 0.986 [OK] 2735 371 A THR CA 3 C4H1s 0.770 1.880 2.641 12.491 13.099 0.954 [OK] 2736 371 A THR C 1 C3H0s 0.770 1.610 2.398 7.602 8.738 0.870 [OK] 2737 371 A THR O 16 O1H0u 0.660 1.420 2.451 13.435 16.020 0.839 [OK] 2738 371 A THR CB 4 C4H1b 0.770 1.880 2.623 13.204 14.829 0.890 [OK] 2739 371 A THR OG1 17 O2H1u 0.660 1.460 2.367 17.094 18.123 0.943 [OK] 2740 371 A THR CG2 10 C4H3u 0.770 1.880 2.900 29.553 36.542 0.809 [OK] 2741 372 A PRO N 11 N3H0u 0.700 1.640 2.424 8.194 8.823 0.929 [OK] 2742 372 A PRO CA 4 C4H1b 0.770 1.880 2.831 15.559 13.955 1.115 [OK] 2743 372 A PRO C 1 C3H0s 0.770 1.610 2.215 7.979 8.812 0.905 [OK] 2744 372 A PRO O 16 O1H0u 0.660 1.420 2.495 16.471 16.169 1.019 [OK] 2745 372 A PRO CB 9 C4H2b 0.770 1.880 2.930 25.019 25.563 0.979 [OK] 2746 372 A PRO CG 9 C4H2b 0.770 1.880 2.765 22.928 25.832 0.888 [OK] 2747 372 A PRO CD 8 C4H2s 0.770 1.880 2.830 21.754 23.836 0.913 [OK] 2748 373 A MET N 12 N3H1s 0.700 1.640 2.596 14.140 13.564 1.042 [OK] 2749 373 A MET CA 3 C4H1s 0.770 1.880 2.735 13.134 13.231 0.993 [OK] 2750 373 A MET C 1 C3H0s 0.770 1.610 2.933 8.789 8.782 1.001 [OK] 2751 373 A MET O 16 O1H0u 0.660 1.420 2.746 14.645 16.277 0.900 [OK] 2752 373 A MET CB 8 C4H2s 0.770 1.880 2.937 24.213 23.645 1.024 [OK] 2753 373 A MET CG 9 C4H2b 0.770 1.880 3.128 25.614 24.009 1.067 possible 2754 373 A MET SD 19 S2H0u 1.040 1.770 2.791 28.465 30.093 0.946 [OK] 2755 373 A MET CE 10 C4H3u 0.770 1.880 2.714 35.231 37.161 0.948 [OK] 2756 374 A LEU N 12 N3H1s 0.700 1.640 2.963 14.016 13.655 1.026 [OK] 2757 374 A LEU CA 3 C4H1s 0.770 1.880 3.208 15.220 13.122 1.160 possible 2758 374 A LEU C 1 C3H0s 0.770 1.610 2.151 7.740 8.825 0.877 [OK] 2759 374 A LEU O 16 O1H0u 0.660 1.420 2.509 15.200 16.208 0.938 [OK] 2760 374 A LEU CB 8 C4H2s 0.770 1.880 2.949 20.585 22.951 0.897 [OK] 2761 374 A LEU CG 4 C4H1b 0.770 1.880 2.791 14.486 14.764 0.981 [OK] 2762 374 A LEU CD1 10 C4H3u 0.770 1.880 3.310 38.540 37.425 1.030 possible 2763 374 A LEU CD2 10 C4H3u 0.770 1.880 3.209 42.872 37.143 1.154 possible 2764 375 A TRP N 12 N3H1s 0.700 1.640 2.569 13.528 13.791 0.981 [OK] 2765 375 A TRP CA 3 C4H1s 0.770 1.880 2.804 13.918 13.377 1.040 [OK] 2766 375 A TRP C 1 C3H0s 0.770 1.610 2.773 8.601 8.724 0.986 [OK] 2767 375 A TRP O 16 O1H0u 0.660 1.420 2.619 16.848 15.951 1.056 [OK] 2768 375 A TRP CB 8 C4H2s 0.770 1.880 2.822 22.661 24.004 0.944 [OK] 2769 375 A TRP CG 2 C3H0b 0.770 1.610 2.497 9.734 9.965 0.977 [OK] 2770 375 A TRP CD1 5 C3H1s 0.770 1.760 2.723 20.113 20.874 0.964 [OK] 2771 375 A TRP CD2 2 C3H0b 0.770 1.610 2.421 9.216 10.097 0.913 [OK] 2772 375 A TRP NE1 13 N3H1b 0.700 1.640 2.682 16.140 16.969 0.951 [OK] 2773 375 A TRP CE2 2 C3H0b 0.770 1.610 2.445 9.764 9.889 0.987 [OK] 2774 375 A TRP CE3 6 C3H1b 0.770 1.760 2.629 19.835 20.448 0.970 [OK] 2775 375 A TRP CZ2 6 C3H1b 0.770 1.760 2.798 18.659 21.012 0.888 [OK] 2776 375 A TRP CZ3 6 C3H1b 0.770 1.760 3.181 21.989 21.516 1.022 possible 2777 375 A TRP CH2 6 C3H1b 0.770 1.760 2.796 20.148 21.339 0.944 [OK] 2778 376 A ALA N 12 N3H1s 0.700 1.640 2.581 13.710 14.046 0.976 [OK] 2779 376 A ALA CA 4 C4H1b 0.770 1.880 2.591 12.901 14.063 0.917 [OK] 2780 376 A ALA C 1 C3H0s 0.770 1.610 2.687 8.812 8.900 0.990 [OK] 2781 376 A ALA O 16 O1H0u 0.660 1.420 2.509 17.728 16.188 1.095 [OK] 2782 376 A ALA CB 10 C4H3u 0.770 1.880 2.914 35.174 36.782 0.956 [OK] 2783 377 A PHE N 12 N3H1s 0.700 1.640 2.723 12.729 13.691 0.930 [OK] 2784 377 A PHE CA 3 C4H1s 0.770 1.880 2.998 14.526 13.449 1.080 [OK] 2785 377 A PHE C 1 C3H0s 0.770 1.610 2.789 8.888 8.753 1.015 [OK] 2786 377 A PHE O 16 O1H0u 0.660 1.420 2.904 18.452 16.151 1.142 [OK] 2787 377 A PHE CB 8 C4H2s 0.770 1.880 3.227 25.937 23.777 1.091 possible 2788 377 A PHE CG 2 C3H0b 0.770 1.610 2.963 12.047 9.721 1.239 [OK] 2789 377 A PHE CD1 5 C3H1s 0.770 1.760 3.008 23.605 20.405 1.157 possible 2790 377 A PHE CD2 6 C3H1b 0.770 1.760 3.563 28.099 21.051 1.335 possible 2791 377 A PHE CE1 6 C3H1b 0.770 1.760 2.688 18.474 21.580 0.856 [OK] 2792 377 A PHE CE2 6 C3H1b 0.770 1.760 2.871 19.562 21.680 0.902 [OK] 2793 377 A PHE CZ 6 C3H1b 0.770 1.760 2.917 23.368 21.666 1.079 [OK] 2794 378 A GLY N 12 N3H1s 0.700 1.640 2.589 14.252 14.854 0.960 [OK] 2795 378 A GLY CA 8 C4H2s 0.770 1.880 3.203 31.362 23.688 1.324 possible 2796 378 A GLY C 2 C3H0b 0.770 1.610 2.588 9.214 9.840 0.936 [OK] 2797 378 A GLY O 16 O1H0u 0.660 1.420 2.554 14.591 16.391 0.890 [OK] 2798 379 A PHE N 12 N3H1s 0.700 1.640 2.511 12.751 13.691 0.931 [OK] 2799 379 A PHE CA 3 C4H1s 0.770 1.880 2.881 15.873 13.449 1.180 [OK] 2800 379 A PHE C 1 C3H0s 0.770 1.610 2.033 7.104 8.753 0.812 [OK] 2801 379 A PHE O 16 O1H0u 0.660 1.420 2.503 15.022 16.151 0.930 [OK] 2802 379 A PHE CB 8 C4H2s 0.770 1.880 3.091 22.652 23.777 0.953 possible 2803 379 A PHE CG 2 C3H0b 0.770 1.610 2.371 9.198 9.721 0.946 [OK] 2804 379 A PHE CD1 5 C3H1s 0.770 1.760 2.767 19.730 20.405 0.967 [OK] 2805 379 A PHE CD2 6 C3H1b 0.770 1.760 2.758 20.737 21.051 0.985 [OK] 2806 379 A PHE CE1 6 C3H1b 0.770 1.760 3.410 25.641 21.580 1.188 possible 2807 379 A PHE CE2 6 C3H1b 0.770 1.760 2.998 24.697 21.680 1.139 [OK] 2808 379 A PHE CZ 6 C3H1b 0.770 1.760 2.899 20.890 21.666 0.964 [OK] 2809 380 A LEU N 12 N3H1s 0.700 1.640 2.413 12.166 13.655 0.891 [OK] 2810 380 A LEU CA 3 C4H1s 0.770 1.880 3.558 15.964 13.122 1.217 possible 2811 380 A LEU C 1 C3H0s 0.770 1.610 2.903 9.044 8.825 1.025 [OK] 2812 380 A LEU O 16 O1H0u 0.660 1.420 3.113 21.669 16.208 1.337 possible 2813 380 A LEU CB 8 C4H2s 0.770 1.880 3.602 22.729 22.951 0.990 possible 2814 380 A LEU CG 4 C4H1b 0.770 1.880 3.617 20.234 14.764 1.370 possible 2815 380 A LEU CD1 10 C4H3u 0.770 1.880 3.580 40.413 37.425 1.080 possible 2816 380 A LEU CD2 10 C4H3u 0.770 1.880 3.029 39.952 37.143 1.076 possible 2817 381 A PHE N 12 N3H1s 0.700 1.640 2.723 13.733 13.691 1.003 [OK] 2818 381 A PHE CA 3 C4H1s 0.770 1.880 3.083 15.703 13.449 1.168 possible 2819 381 A PHE C 1 C3H0s 0.770 1.610 2.552 8.397 8.753 0.959 [OK] 2820 381 A PHE O 16 O1H0u 0.660 1.420 2.674 15.026 16.151 0.930 [OK] 2821 381 A PHE CB 8 C4H2s 0.770 1.880 3.949 31.289 23.777 1.316 possible 2822 381 A PHE CG 2 C3H0b 0.770 1.610 3.857 12.555 9.721 1.292 possible 2823 381 A PHE CD1 5 C3H1s 0.770 1.760 3.086 26.549 20.405 1.301 possible 2824 381 A PHE CD2 6 C3H1b 0.770 1.760 4.420 28.170 21.051 1.338 possible 2825 381 A PHE CE1 6 C3H1b 0.770 1.760 3.784 23.296 21.580 1.080 possible 2826 381 A PHE CE2 6 C3H1b 0.770 1.760 7.191 61.777 21.680 2.850 possible 2827 381 A PHE CZ 6 C3H1b 0.770 1.760 6.590 54.814 21.666 2.530 possible 2828 382 A LEU N 12 N3H1s 0.700 1.640 2.510 11.816 13.655 0.865 [OK] 2829 382 A LEU CA 3 C4H1s 0.770 1.880 2.688 12.754 13.122 0.972 [OK] 2830 382 A LEU C 1 C3H0s 0.770 1.610 2.715 9.026 8.825 1.023 [OK] 2831 382 A LEU O 16 O1H0u 0.660 1.420 2.471 17.312 16.208 1.068 [OK] 2832 382 A LEU CB 8 C4H2s 0.770 1.880 2.903 23.883 22.951 1.041 [OK] 2833 382 A LEU CG 4 C4H1b 0.770 1.880 2.948 13.991 14.764 0.948 [OK] 2834 382 A LEU CD1 10 C4H3u 0.770 1.880 3.033 33.668 37.425 0.900 possible 2835 382 A LEU CD2 10 C4H3u 0.770 1.880 3.525 34.954 37.143 0.941 possible 2836 383 A PHE N 12 N3H1s 0.700 1.640 2.730 13.774 13.691 1.006 [OK] 2837 383 A PHE CA 3 C4H1s 0.770 1.880 2.938 15.865 13.449 1.180 [OK] 2838 383 A PHE C 1 C3H0s 0.770 1.610 2.238 7.829 8.753 0.894 [OK] 2839 383 A PHE O 16 O1H0u 0.660 1.420 2.556 17.049 16.151 1.056 [OK] 2840 383 A PHE CB 8 C4H2s 0.770 1.880 3.284 23.603 23.777 0.993 possible 2841 383 A PHE CG 2 C3H0b 0.770 1.610 2.436 9.295 9.721 0.956 [OK] 2842 383 A PHE CD1 5 C3H1s 0.770 1.760 2.783 23.339 20.405 1.144 [OK] 2843 383 A PHE CD2 6 C3H1b 0.770 1.760 3.380 27.972 21.051 1.329 possible 2844 383 A PHE CE1 6 C3H1b 0.770 1.760 2.897 22.599 21.580 1.047 [OK] 2845 383 A PHE CE2 6 C3H1b 0.770 1.760 3.334 23.684 21.680 1.092 possible 2846 383 A PHE CZ 6 C3H1b 0.770 1.760 3.779 29.443 21.666 1.359 possible 2847 384 A THR N 12 N3H1s 0.700 1.640 2.715 12.864 13.832 0.930 [OK] 2848 384 A THR CA 3 C4H1s 0.770 1.880 2.812 13.419 13.099 1.024 [OK] 2849 384 A THR C 1 C3H0s 0.770 1.610 2.712 8.083 8.738 0.925 [OK] 2850 384 A THR O 16 O1H0u 0.660 1.420 2.540 13.949 16.020 0.871 [OK] 2851 384 A THR CB 4 C4H1b 0.770 1.880 3.213 16.226 14.829 1.094 possible 2852 384 A THR OG1 17 O2H1u 0.660 1.460 2.951 24.174 18.123 1.334 [OK] 2853 384 A THR CG2 10 C4H3u 0.770 1.880 3.085 44.253 36.542 1.211 possible 2854 385 A VAL N 12 N3H1s 0.700 1.640 2.919 14.630 13.676 1.070 [OK] 2855 385 A VAL CA 3 C4H1s 0.770 1.880 3.622 16.350 13.123 1.246 possible 2856 385 A VAL C 1 C3H0s 0.770 1.610 2.308 7.167 8.563 0.837 [OK] 2857 385 A VAL O 16 O1H0u 0.660 1.420 2.938 16.024 16.181 0.990 [OK] 2858 385 A VAL CB 4 C4H1b 0.770 1.880 2.693 14.060 14.598 0.963 [OK] 2859 385 A VAL CG1 10 C4H3u 0.770 1.880 4.227 47.585 36.584 1.301 possible 2860 385 A VAL CG2 10 C4H3u 0.770 1.880 4.314 54.165 36.332 1.491 possible 2861 386 A GLY N 12 N3H1s 0.700 1.640 2.473 13.575 14.854 0.914 [OK] 2862 386 A GLY CA 8 C4H2s 0.770 1.880 2.974 21.240 23.688 0.897 [OK] 2863 386 A GLY C 2 C3H0b 0.770 1.610 2.406 8.457 9.840 0.859 [OK] 2864 386 A GLY O 16 O1H0u 0.660 1.420 2.268 14.352 16.391 0.876 [OK] 2865 387 A GLY N 12 N3H1s 0.700 1.640 2.540 12.645 14.854 0.851 [OK] 2866 387 A GLY CA 8 C4H2s 0.770 1.880 3.172 25.687 23.688 1.084 possible 2867 387 A GLY C 2 C3H0b 0.770 1.610 2.253 8.493 9.840 0.863 [OK] 2868 387 A GLY O 16 O1H0u 0.660 1.420 2.492 15.708 16.391 0.958 [OK] 2869 388 A VAL N 12 N3H1s 0.700 1.640 2.352 11.925 13.676 0.872 [OK] 2870 388 A VAL CA 3 C4H1s 0.770 1.880 2.911 14.076 13.123 1.073 [OK] 2871 388 A VAL C 1 C3H0s 0.770 1.610 2.770 8.173 8.563 0.954 [OK] 2872 388 A VAL O 16 O1H0u 0.660 1.420 2.583 17.031 16.181 1.053 [OK] 2873 388 A VAL CB 4 C4H1b 0.770 1.880 2.889 13.041 14.598 0.893 [OK] 2874 388 A VAL CG1 10 C4H3u 0.770 1.880 4.028 39.994 36.584 1.093 possible 2875 388 A VAL CG2 10 C4H3u 0.770 1.880 3.142 43.260 36.332 1.191 possible 2876 389 A THR N 12 N3H1s 0.700 1.640 2.798 12.215 13.832 0.883 [OK] 2877 389 A THR CA 3 C4H1s 0.770 1.880 3.212 15.176 13.099 1.159 possible 2878 389 A THR C 1 C3H0s 0.770 1.610 2.409 7.759 8.738 0.888 [OK] 2879 389 A THR O 16 O1H0u 0.660 1.420 2.261 13.989 16.020 0.873 [OK] 2880 389 A THR CB 4 C4H1b 0.770 1.880 2.435 11.461 14.829 0.773 [OK] 2881 389 A THR OG1 17 O2H1u 0.660 1.460 2.941 23.440 18.123 1.293 [OK] 2882 389 A THR CG2 10 C4H3u 0.770 1.880 2.995 31.233 36.542 0.855 [OK] 2883 390 A GLY N 12 N3H1s 0.700 1.640 2.435 12.624 14.854 0.850 [OK] 2884 390 A GLY CA 8 C4H2s 0.770 1.880 2.876 22.519 23.688 0.951 [OK] 2885 390 A GLY C 2 C3H0b 0.770 1.610 2.532 8.745 9.840 0.889 [OK] 2886 390 A GLY O 16 O1H0u 0.660 1.420 2.252 14.329 16.391 0.874 [OK] 2887 391 A VAL N 12 N3H1s 0.700 1.640 2.603 12.382 13.676 0.905 [OK] 2888 391 A VAL CA 3 C4H1s 0.770 1.880 3.334 13.886 13.123 1.058 possible 2889 391 A VAL C 1 C3H0s 0.770 1.610 2.705 8.373 8.563 0.978 [OK] 2890 391 A VAL O 16 O1H0u 0.660 1.420 2.810 15.299 16.181 0.946 [OK] 2891 391 A VAL CB 4 C4H1b 0.770 1.880 3.127 15.099 14.598 1.034 possible 2892 391 A VAL CG1 10 C4H3u 0.770 1.880 3.410 53.630 36.584 1.466 possible 2893 391 A VAL CG2 10 C4H3u 0.770 1.880 3.372 42.555 36.332 1.171 possible 2894 392 A VAL N 12 N3H1s 0.700 1.640 2.857 13.942 13.676 1.019 [OK] 2895 392 A VAL CA 3 C4H1s 0.770 1.880 2.970 15.507 13.123 1.182 [OK] 2896 392 A VAL C 1 C3H0s 0.770 1.610 2.603 7.466 8.563 0.872 [OK] 2897 392 A VAL O 16 O1H0u 0.660 1.420 2.623 16.069 16.181 0.993 [OK] 2898 392 A VAL CB 4 C4H1b 0.770 1.880 2.626 12.634 14.598 0.865 [OK] 2899 392 A VAL CG1 10 C4H3u 0.770 1.880 3.610 36.270 36.584 0.991 possible 2900 392 A VAL CG2 10 C4H3u 0.770 1.880 3.907 48.386 36.332 1.332 possible 2901 393 A LEU N 12 N3H1s 0.700 1.640 2.567 12.696 13.655 0.930 [OK] 2902 393 A LEU CA 3 C4H1s 0.770 1.880 3.052 15.072 13.122 1.149 possible 2903 393 A LEU C 1 C3H0s 0.770 1.610 2.341 7.821 8.825 0.886 [OK] 2904 393 A LEU O 16 O1H0u 0.660 1.420 2.657 17.726 16.208 1.094 [OK] 2905 393 A LEU CB 8 C4H2s 0.770 1.880 3.013 21.591 22.951 0.941 possible 2906 393 A LEU CG 4 C4H1b 0.770 1.880 2.630 13.643 14.764 0.924 [OK] 2907 393 A LEU CD1 10 C4H3u 0.770 1.880 2.831 34.269 37.425 0.916 [OK] 2908 393 A LEU CD2 10 C4H3u 0.770 1.880 2.976 34.429 37.143 0.927 [OK] 2909 394 A SER N 12 N3H1s 0.700 1.640 2.226 12.053 14.103 0.855 [OK] 2910 394 A SER CA 3 C4H1s 0.770 1.880 2.903 13.425 13.476 0.996 [OK] 2911 394 A SER C 1 C3H0s 0.770 1.610 2.313 8.353 8.923 0.936 [OK] 2912 394 A SER O 16 O1H0u 0.660 1.420 2.382 15.681 16.179 0.969 [OK] 2913 394 A SER CB 8 C4H2s 0.770 1.880 3.054 24.741 23.884 1.036 possible 2914 394 A SER OG 17 O2H1u 0.660 1.460 2.894 18.859 18.732 1.007 [OK] 2915 395 A GLN N 12 N3H1s 0.700 1.640 2.300 11.900 13.616 0.874 [OK] 2916 395 A GLN CA 3 C4H1s 0.770 1.880 2.619 11.648 13.334 0.874 [OK] 2917 395 A GLN C 1 C3H0s 0.770 1.610 2.403 8.955 8.787 1.019 [OK] 2918 395 A GLN O 16 O1H0u 0.660 1.420 2.395 14.417 15.993 0.901 [OK] 2919 395 A GLN CB 8 C4H2s 0.770 1.880 2.940 23.311 23.275 1.002 [OK] 2920 395 A GLN CG 8 C4H2s 0.770 1.880 3.300 29.365 23.465 1.251 possible 2921 395 A GLN CD 2 C3H0b 0.770 1.610 2.867 8.957 9.659 0.927 [OK] 2922 395 A GLN OE1 16 O1H0u 0.660 1.420 2.696 17.776 17.091 1.040 [OK] 2923 395 A GLN NE2 15 N3H2u 0.700 1.640 3.083 22.833 24.150 0.945 possible 2924 396 A ALA N 12 N3H1s 0.700 1.640 2.596 14.154 14.046 1.008 [OK] 2925 396 A ALA CA 4 C4H1b 0.770 1.880 2.866 14.005 14.063 0.996 [OK] 2926 396 A ALA C 1 C3H0s 0.770 1.610 2.491 8.607 8.900 0.967 [OK] 2927 396 A ALA O 16 O1H0u 0.660 1.420 2.695 17.418 16.188 1.076 [OK] 2928 396 A ALA CB 10 C4H3u 0.770 1.880 3.039 39.422 36.782 1.072 possible 2929 397 A PRO N 11 N3H0u 0.700 1.640 2.413 8.347 8.823 0.946 [OK] 2930 397 A PRO CA 4 C4H1b 0.770 1.880 2.589 13.831 13.955 0.991 [OK] 2931 397 A PRO C 1 C3H0s 0.770 1.610 2.759 8.704 8.812 0.988 [OK] 2932 397 A PRO O 16 O1H0u 0.660 1.420 2.654 19.661 16.169 1.216 [OK] 2933 397 A PRO CB 9 C4H2b 0.770 1.880 3.067 27.114 25.563 1.061 possible 2934 397 A PRO CG 9 C4H2b 0.770 1.880 2.903 22.476 25.832 0.870 [OK] 2935 397 A PRO CD 8 C4H2s 0.770 1.880 2.903 24.561 23.836 1.030 [OK] 2936 398 A LEU N 12 N3H1s 0.700 1.640 2.685 12.536 13.655 0.918 [OK] 2937 398 A LEU CA 3 C4H1s 0.770 1.880 3.135 13.807 13.122 1.052 possible 2938 398 A LEU C 1 C3H0s 0.770 1.610 2.755 8.853 8.825 1.003 [OK] 2939 398 A LEU O 16 O1H0u 0.660 1.420 2.733 16.916 16.208 1.044 [OK] 2940 398 A LEU CB 8 C4H2s 0.770 1.880 3.004 22.805 22.951 0.994 possible 2941 398 A LEU CG 4 C4H1b 0.770 1.880 2.903 14.395 14.764 0.975 [OK] 2942 398 A LEU CD1 10 C4H3u 0.770 1.880 3.387 38.384 37.425 1.026 possible 2943 398 A LEU CD2 10 C4H3u 0.770 1.880 3.169 33.017 37.143 0.889 possible 2944 399 A ASP N 12 N3H1s 0.700 1.640 2.792 13.194 13.895 0.950 [OK] 2945 399 A ASP CA 3 C4H1s 0.770 1.880 2.923 13.521 13.377 1.011 [OK] 2946 399 A ASP C 1 C3H0s 0.770 1.610 2.850 8.680 8.816 0.985 [OK] 2947 399 A ASP O 16 O1H0u 0.660 1.420 2.657 14.494 16.091 0.901 [OK] 2948 399 A ASP CB 8 C4H2s 0.770 1.880 2.930 23.344 23.481 0.994 [OK] 2949 399 A ASP CG 2 C3H0b 0.770 1.610 2.723 10.073 9.422 1.069 [OK] 2950 399 A ASP OD1 16 O1H0u 0.660 1.420 2.469 18.319 15.505 1.181 [OK] 2951 399 A ASP OD2 16 O1H0u 0.660 1.420 2.709 21.375 16.324 1.309 [OK] 2952 400 A ARG N 12 N3H1s 0.700 1.640 2.933 14.303 13.650 1.048 [OK] 2953 400 A ARG CA 3 C4H1s 0.770 1.880 3.160 15.341 13.422 1.143 possible 2954 400 A ARG C 1 C3H0s 0.770 1.610 2.529 7.896 8.838 0.893 [OK] 2955 400 A ARG O 16 O1H0u 0.660 1.420 3.057 19.226 16.084 1.195 possible 2956 400 A ARG CB 8 C4H2s 0.770 1.880 3.158 22.673 23.088 0.982 possible 2957 400 A ARG CG 8 C4H2s 0.770 1.880 3.002 24.305 23.640 1.028 possible 2958 400 A ARG CD 8 C4H2s 0.770 1.880 2.944 22.190 23.300 0.952 [OK] 2959 400 A ARG NE 13 N3H1b 0.700 1.640 2.869 15.253 15.569 0.980 [OK] 2960 400 A ARG CZ 2 C3H0b 0.770 1.610 2.920 10.714 9.747 1.099 [OK] 2961 400 A ARG NH1 15 N3H2u 0.700 1.640 2.894 29.324 22.782 1.287 [OK] 2962 400 A ARG NH2 15 N3H2u 0.700 1.640 2.859 23.888 23.810 1.003 [OK] 2963 401 A VAL N 12 N3H1s 0.700 1.640 2.689 13.279 13.676 0.971 [OK] 2964 401 A VAL CA 3 C4H1s 0.770 1.880 3.613 16.124 13.123 1.229 possible 2965 401 A VAL C 1 C3H0s 0.770 1.610 2.454 8.917 8.563 1.041 [OK] 2966 401 A VAL O 16 O1H0u 0.660 1.420 3.020 23.250 16.181 1.437 possible 2967 401 A VAL CB 4 C4H1b 0.770 1.880 3.209 16.620 14.598 1.138 possible 2968 401 A VAL CG1 10 C4H3u 0.770 1.880 3.493 49.580 36.584 1.355 possible 2969 401 A VAL CG2 10 C4H3u 0.770 1.880 3.674 38.914 36.332 1.071 possible 2970 402 A TYR N 12 N3H1s 0.700 1.640 2.633 12.561 13.691 0.917 [OK] 2971 402 A TYR CA 3 C4H1s 0.770 1.880 2.903 12.714 13.330 0.954 [OK] 2972 402 A TYR C 1 C3H0s 0.770 1.610 2.738 9.240 8.770 1.054 [OK] 2973 402 A TYR O 16 O1H0u 0.660 1.420 2.480 14.032 16.124 0.870 [OK] 2974 402 A TYR CB 8 C4H2s 0.770 1.880 2.935 22.011 23.678 0.930 [OK] 2975 402 A TYR CG 2 C3H0b 0.770 1.610 2.756 9.793 9.732 1.006 [OK] 2976 402 A TYR CD1 5 C3H1s 0.770 1.760 3.005 21.645 20.171 1.073 possible 2977 402 A TYR CD2 5 C3H1s 0.770 1.760 2.949 20.045 20.728 0.967 [OK] 2978 402 A TYR CE1 5 C3H1s 0.770 1.760 2.978 21.434 20.675 1.037 [OK] 2979 402 A TYR CE2 5 C3H1s 0.770 1.760 3.089 20.882 20.810 1.003 possible 2980 402 A TYR CZ 2 C3H0b 0.770 1.610 2.765 10.160 9.926 1.024 [OK] 2981 402 A TYR OH 17 O2H1u 0.660 1.460 3.224 24.436 19.173 1.274 possible 2982 403 A HIS N 12 N3H1s 0.700 1.640 2.685 13.573 13.715 0.990 [OK] 2983 403 A HIS CA 3 C4H1s 0.770 1.880 2.882 13.857 13.467 1.029 [OK] 2984 403 A HIS C 1 C3H0s 0.770 1.610 2.141 7.416 8.882 0.835 [OK] 2985 403 A HIS O 16 O1H0u 0.660 1.420 2.730 15.490 16.082 0.963 [OK] 2986 403 A HIS CB 8 C4H2s 0.770 1.880 2.975 24.040 23.653 1.016 [OK] 2987 403 A HIS CG 2 C3H0b 0.770 1.610 2.385 9.699 9.952 0.975 [OK] 2988 403 A HIS ND1 13 N3H1b 0.700 1.640 2.921 20.409 15.506 1.316 [OK] 2989 403 A HIS CD2 5 C3H1s 0.770 1.760 3.208 18.528 21.085 0.879 possible 2990 403 A HIS CE1 5 C3H1s 0.770 1.760 3.995 27.056 20.636 1.311 possible 2991 403 A HIS NE2 13 N3H1b 0.700 1.640 3.980 12.473 15.337 0.813 possible 2992 404 A ASP N 12 N3H1s 0.700 1.640 2.430 13.078 13.895 0.941 [OK] 2993 404 A ASP CA 3 C4H1s 0.770 1.880 2.600 11.946 13.377 0.893 [OK] 2994 404 A ASP C 1 C3H0s 0.770 1.610 2.173 8.415 8.816 0.955 [OK] 2995 404 A ASP O 16 O1H0u 0.660 1.420 2.697 17.860 16.091 1.110 [OK] 2996 404 A ASP CB 8 C4H2s 0.770 1.880 2.968 22.454 23.481 0.956 [OK] 2997 404 A ASP CG 2 C3H0b 0.770 1.610 2.387 8.129 9.422 0.863 [OK] 2998 404 A ASP OD1 16 O1H0u 0.660 1.420 3.711 19.721 15.505 1.272 possible 2999 404 A ASP OD2 16 O1H0u 0.660 1.420 2.463 15.211 16.324 0.932 [OK] 3000 405 A THR N 12 N3H1s 0.700 1.640 2.407 12.522 13.832 0.905 [OK] 3001 405 A THR CA 3 C4H1s 0.770 1.880 2.448 12.349 13.099 0.943 [OK] 3002 405 A THR C 1 C3H0s 0.770 1.610 2.302 8.574 8.738 0.981 [OK] 3003 405 A THR O 16 O1H0u 0.660 1.420 2.406 15.378 16.020 0.960 [OK] 3004 405 A THR CB 4 C4H1b 0.770 1.880 2.822 14.998 14.829 1.011 [OK] 3005 405 A THR OG1 17 O2H1u 0.660 1.460 2.571 17.333 18.123 0.956 [OK] 3006 405 A THR CG2 10 C4H3u 0.770 1.880 3.221 36.556 36.542 1.000 possible 3007 406 A TYR N 12 N3H1s 0.700 1.640 2.489 14.071 13.691 1.028 [OK] 3008 406 A TYR CA 3 C4H1s 0.770 1.880 2.628 12.485 13.330 0.937 [OK] 3009 406 A TYR C 1 C3H0s 0.770 1.610 2.271 8.726 8.770 0.995 [OK] 3010 406 A TYR O 16 O1H0u 0.660 1.420 2.251 13.923 16.124 0.863 [OK] 3011 406 A TYR CB 8 C4H2s 0.770 1.880 2.845 23.721 23.678 1.002 [OK] 3012 406 A TYR CG 2 C3H0b 0.770 1.610 2.675 10.575 9.732 1.087 [OK] 3013 406 A TYR CD1 5 C3H1s 0.770 1.760 2.706 19.173 20.171 0.951 [OK] 3014 406 A TYR CD2 5 C3H1s 0.770 1.760 2.930 20.799 20.728 1.003 [OK] 3015 406 A TYR CE1 5 C3H1s 0.770 1.760 3.034 20.822 20.675 1.007 possible 3016 406 A TYR CE2 5 C3H1s 0.770 1.760 2.894 21.623 20.810 1.039 [OK] 3017 406 A TYR CZ 2 C3H0b 0.770 1.610 2.692 11.287 9.926 1.137 [OK] 3018 406 A TYR OH 17 O2H1u 0.660 1.460 2.711 19.995 19.173 1.043 [OK] 3019 407 A TYR N 12 N3H1s 0.700 1.640 2.311 12.537 13.691 0.916 [OK] 3020 407 A TYR CA 3 C4H1s 0.770 1.880 2.745 13.800 13.330 1.035 [OK] 3021 407 A TYR C 1 C3H0s 0.770 1.610 2.305 7.684 8.770 0.876 [OK] 3022 407 A TYR O 16 O1H0u 0.660 1.420 2.456 16.063 16.124 0.996 [OK] 3023 407 A TYR CB 8 C4H2s 0.770 1.880 2.880 22.623 23.678 0.955 [OK] 3024 407 A TYR CG 2 C3H0b 0.770 1.610 2.673 9.012 9.732 0.926 [OK] 3025 407 A TYR CD1 5 C3H1s 0.770 1.760 2.760 19.644 20.171 0.974 [OK] 3026 407 A TYR CD2 5 C3H1s 0.770 1.760 2.823 19.333 20.728 0.933 [OK] 3027 407 A TYR CE1 5 C3H1s 0.770 1.760 3.224 23.092 20.675 1.117 possible 3028 407 A TYR CE2 5 C3H1s 0.770 1.760 2.778 18.957 20.810 0.911 [OK] 3029 407 A TYR CZ 2 C3H0b 0.770 1.610 2.619 10.325 9.926 1.040 [OK] 3030 407 A TYR OH 17 O2H1u 0.660 1.460 3.354 26.588 19.173 1.387 possible 3031 408 A VAL N 12 N3H1s 0.700 1.640 2.649 14.026 13.676 1.026 [OK] 3032 408 A VAL CA 3 C4H1s 0.770 1.880 2.829 13.699 13.123 1.044 [OK] 3033 408 A VAL C 1 C3H0s 0.770 1.610 2.264 7.600 8.563 0.888 [OK] 3034 408 A VAL O 16 O1H0u 0.660 1.420 2.418 13.911 16.181 0.860 [OK] 3035 408 A VAL CB 4 C4H1b 0.770 1.880 2.740 13.838 14.598 0.948 [OK] 3036 408 A VAL CG1 10 C4H3u 0.770 1.880 3.070 33.342 36.584 0.911 possible 3037 408 A VAL CG2 10 C4H3u 0.770 1.880 2.982 35.810 36.332 0.986 [OK] 3038 409 A VAL N 12 N3H1s 0.700 1.640 2.632 13.532 13.676 0.989 [OK] 3039 409 A VAL CA 3 C4H1s 0.770 1.880 2.533 11.747 13.123 0.895 [OK] 3040 409 A VAL C 1 C3H0s 0.770 1.610 2.382 7.881 8.563 0.920 [OK] 3041 409 A VAL O 16 O1H0u 0.660 1.420 2.401 15.235 16.181 0.942 [OK] 3042 409 A VAL CB 4 C4H1b 0.770 1.880 2.674 13.293 14.598 0.911 [OK] 3043 409 A VAL CG1 10 C4H3u 0.770 1.880 3.058 32.816 36.584 0.897 possible 3044 409 A VAL CG2 10 C4H3u 0.770 1.880 2.986 35.177 36.332 0.968 [OK] 3045 410 A ALA N 12 N3H1s 0.700 1.640 2.395 12.236 14.046 0.871 [OK] 3046 410 A ALA CA 4 C4H1b 0.770 1.880 2.778 15.735 14.063 1.119 [OK] 3047 410 A ALA C 1 C3H0s 0.770 1.610 2.370 8.963 8.900 1.007 [OK] 3048 410 A ALA O 16 O1H0u 0.660 1.420 2.335 16.742 16.188 1.034 [OK] 3049 410 A ALA CB 10 C4H3u 0.770 1.880 2.774 32.193 36.782 0.875 [OK] 3050 411 A HIS N 12 N3H1s 0.700 1.640 2.668 13.665 13.715 0.996 [OK] 3051 411 A HIS CA 3 C4H1s 0.770 1.880 2.578 12.392 13.467 0.920 [OK] 3052 411 A HIS C 1 C3H0s 0.770 1.610 2.200 7.503 8.882 0.845 [OK] 3053 411 A HIS O 16 O1H0u 0.660 1.420 2.272 15.161 16.082 0.943 [OK] 3054 411 A HIS CB 8 C4H2s 0.770 1.880 2.853 20.209 23.653 0.854 [OK] 3055 411 A HIS CG 2 C3H0b 0.770 1.610 2.386 8.776 9.952 0.882 [OK] 3056 411 A HIS ND1 13 N3H1b 0.700 1.640 2.438 14.475 15.506 0.933 [OK] 3057 411 A HIS CD2 5 C3H1s 0.770 1.760 2.729 19.945 21.085 0.946 [OK] 3058 411 A HIS CE1 5 C3H1s 0.770 1.760 2.803 20.151 20.636 0.977 [OK] 3059 411 A HIS NE2 13 N3H1b 0.700 1.640 2.528 12.100 15.337 0.789 [OK] 3060 412 A PHE N 12 N3H1s 0.700 1.640 2.410 12.753 13.691 0.931 [OK] 3061 412 A PHE CA 3 C4H1s 0.770 1.880 2.604 11.226 13.449 0.835 [OK] 3062 412 A PHE C 1 C3H0s 0.770 1.610 2.230 7.950 8.753 0.908 [OK] 3063 412 A PHE O 16 O1H0u 0.660 1.420 2.531 13.247 16.151 0.820 [OK] 3064 412 A PHE CB 8 C4H2s 0.770 1.880 2.609 18.434 23.777 0.775 [OK] 3065 412 A PHE CG 2 C3H0b 0.770 1.610 2.329 8.805 9.721 0.906 [OK] 3066 412 A PHE CD1 5 C3H1s 0.770 1.760 2.775 17.777 20.405 0.871 [OK] 3067 412 A PHE CD2 6 C3H1b 0.770 1.760 2.746 15.751 21.051 0.748 [OK] 3068 412 A PHE CE1 6 C3H1b 0.770 1.760 2.755 16.351 21.580 0.758 [OK] 3069 412 A PHE CE2 6 C3H1b 0.770 1.760 2.805 20.438 21.680 0.943 [OK] 3070 412 A PHE CZ 6 C3H1b 0.770 1.760 2.912 21.423 21.666 0.989 [OK] 3071 413 A HIS N 12 N3H1s 0.700 1.640 2.318 13.021 13.715 0.949 [OK] 3072 413 A HIS CA 3 C4H1s 0.770 1.880 3.082 13.960 13.467 1.037 possible 3073 413 A HIS C 1 C3H0s 0.770 1.610 2.668 8.787 8.882 0.989 [OK] 3074 413 A HIS O 16 O1H0u 0.660 1.420 2.309 12.836 16.082 0.798 [OK] 3075 413 A HIS CB 8 C4H2s 0.770 1.880 2.758 21.637 23.653 0.915 [OK] 3076 413 A HIS CG 2 C3H0b 0.770 1.610 2.613 8.524 9.952 0.857 [OK] 3077 413 A HIS ND1 13 N3H1b 0.700 1.640 2.672 14.171 15.506 0.914 [OK] 3078 413 A HIS CD2 5 C3H1s 0.770 1.760 2.979 18.675 21.085 0.886 [OK] 3079 413 A HIS CE1 5 C3H1s 0.770 1.760 2.894 16.375 20.636 0.794 [OK] 3080 413 A HIS NE2 13 N3H1b 0.700 1.640 2.598 10.190 15.337 0.664 [OK] 3081 414 A TYR N 12 N3H1s 0.700 1.640 2.742 13.532 13.691 0.988 [OK] 3082 414 A TYR CA 3 C4H1s 0.770 1.880 2.911 13.199 13.330 0.990 [OK] 3083 414 A TYR C 1 C3H0s 0.770 1.610 2.728 8.959 8.770 1.022 [OK] 3084 414 A TYR O 16 O1H0u 0.660 1.420 2.537 17.221 16.124 1.068 [OK] 3085 414 A TYR CB 8 C4H2s 0.770 1.880 2.650 19.949 23.678 0.842 [OK] 3086 414 A TYR CG 2 C3H0b 0.770 1.610 2.568 10.019 9.732 1.030 [OK] 3087 414 A TYR CD1 5 C3H1s 0.770 1.760 2.722 18.676 20.171 0.926 [OK] 3088 414 A TYR CD2 5 C3H1s 0.770 1.760 2.857 21.096 20.728 1.018 [OK] 3089 414 A TYR CE1 5 C3H1s 0.770 1.760 3.375 19.258 20.675 0.931 possible 3090 414 A TYR CE2 5 C3H1s 0.770 1.760 2.711 19.192 20.810 0.922 [OK] 3091 414 A TYR CZ 2 C3H0b 0.770 1.610 2.759 10.503 9.926 1.058 [OK] 3092 414 A TYR OH 17 O2H1u 0.660 1.460 3.321 21.080 19.173 1.099 possible 3093 415 A VAL N 12 N3H1s 0.700 1.640 2.748 13.068 13.676 0.956 [OK] 3094 415 A VAL CA 3 C4H1s 0.770 1.880 2.943 14.694 13.123 1.120 [OK] 3095 415 A VAL C 1 C3H0s 0.770 1.610 2.141 8.359 8.563 0.976 [OK] 3096 415 A VAL O 16 O1H0u 0.660 1.420 2.523 17.493 16.181 1.081 [OK] 3097 415 A VAL CB 4 C4H1b 0.770 1.880 2.953 14.276 14.598 0.978 [OK] 3098 415 A VAL CG1 10 C4H3u 0.770 1.880 3.214 38.778 36.584 1.060 possible 3099 415 A VAL CG2 10 C4H3u 0.770 1.880 2.606 26.511 36.332 0.730 [OK] 3100 416 A MET N 12 N3H1s 0.700 1.640 2.218 12.533 13.564 0.924 [OK] 3101 416 A MET CA 3 C4H1s 0.770 1.880 2.836 13.241 13.231 1.001 [OK] 3102 416 A MET C 1 C3H0s 0.770 1.610 2.392 8.779 8.782 1.000 [OK] 3103 416 A MET O 16 O1H0u 0.660 1.420 2.697 16.743 16.277 1.029 [OK] 3104 416 A MET CB 8 C4H2s 0.770 1.880 3.180 22.790 23.645 0.964 possible 3105 416 A MET CG 9 C4H2b 0.770 1.880 2.867 19.576 24.009 0.815 [OK] 3106 416 A MET SD 19 S2H0u 1.040 1.770 2.930 30.636 30.093 1.018 [OK] 3107 416 A MET CE 10 C4H3u 0.770 1.880 3.098 31.106 37.161 0.837 possible 3108 417 A SER N 12 N3H1s 0.700 1.640 2.885 13.806 14.103 0.979 [OK] 3109 417 A SER CA 3 C4H1s 0.770 1.880 2.617 12.791 13.476 0.949 [OK] 3110 417 A SER C 1 C3H0s 0.770 1.610 2.568 8.581 8.923 0.962 [OK] 3111 417 A SER O 16 O1H0u 0.660 1.420 2.561 17.841 16.179 1.103 [OK] 3112 417 A SER CB 8 C4H2s 0.770 1.880 2.963 22.168 23.884 0.928 [OK] 3113 417 A SER OG 17 O2H1u 0.660 1.460 2.768 21.643 18.732 1.155 [OK] 3114 418 A LEU N 12 N3H1s 0.700 1.640 2.352 11.406 13.655 0.835 [OK] 3115 418 A LEU CA 3 C4H1s 0.770 1.880 2.574 11.864 13.122 0.904 [OK] 3116 418 A LEU C 1 C3H0s 0.770 1.610 2.525 9.229 8.825 1.046 [OK] 3117 418 A LEU O 16 O1H0u 0.660 1.420 2.549 18.939 16.208 1.168 [OK] 3118 418 A LEU CB 8 C4H2s 0.770 1.880 2.748 19.673 22.951 0.857 [OK] 3119 418 A LEU CG 4 C4H1b 0.770 1.880 2.826 14.204 14.764 0.962 [OK] 3120 418 A LEU CD1 10 C4H3u 0.770 1.880 3.015 32.156 37.425 0.859 possible 3121 418 A LEU CD2 10 C4H3u 0.770 1.880 3.014 33.208 37.143 0.894 possible 3122 419 A GLY N 12 N3H1s 0.700 1.640 2.549 14.307 14.854 0.963 [OK] 3123 419 A GLY CA 8 C4H2s 0.770 1.880 3.013 26.340 23.688 1.112 possible 3124 419 A GLY C 2 C3H0b 0.770 1.610 2.383 8.863 9.840 0.901 [OK] 3125 419 A GLY O 16 O1H0u 0.660 1.420 2.535 13.226 16.391 0.807 [OK] 3126 420 A ALA N 12 N3H1s 0.700 1.640 2.386 13.640 14.046 0.971 [OK] 3127 420 A ALA CA 4 C4H1b 0.770 1.880 3.130 17.024 14.063 1.211 possible 3128 420 A ALA C 1 C3H0s 0.770 1.610 2.713 8.508 8.900 0.956 [OK] 3129 420 A ALA O 16 O1H0u 0.660 1.420 2.560 16.746 16.188 1.034 [OK] 3130 420 A ALA CB 10 C4H3u 0.770 1.880 3.180 39.208 36.782 1.066 possible 3131 421 A VAL N 12 N3H1s 0.700 1.640 2.729 14.237 13.676 1.041 [OK] 3132 421 A VAL CA 3 C4H1s 0.770 1.880 3.038 13.763 13.123 1.049 possible 3133 421 A VAL C 1 C3H0s 0.770 1.610 2.444 7.609 8.563 0.889 [OK] 3134 421 A VAL O 16 O1H0u 0.660 1.420 2.789 14.719 16.181 0.910 [OK] 3135 421 A VAL CB 4 C4H1b 0.770 1.880 2.832 13.773 14.598 0.944 [OK] 3136 421 A VAL CG1 10 C4H3u 0.770 1.880 3.250 33.701 36.584 0.921 possible 3137 421 A VAL CG2 10 C4H3u 0.770 1.880 3.070 37.573 36.332 1.034 possible 3138 422 A PHE N 12 N3H1s 0.700 1.640 2.604 12.130 13.691 0.886 [OK] 3139 422 A PHE CA 3 C4H1s 0.770 1.880 2.709 13.634 13.449 1.014 [OK] 3140 422 A PHE C 1 C3H0s 0.770 1.610 2.640 8.784 8.753 1.004 [OK] 3141 422 A PHE O 16 O1H0u 0.660 1.420 2.586 16.616 16.151 1.029 [OK] 3142 422 A PHE CB 8 C4H2s 0.770 1.880 2.912 23.089 23.777 0.971 [OK] 3143 422 A PHE CG 2 C3H0b 0.770 1.610 2.347 9.224 9.721 0.949 [OK] 3144 422 A PHE CD1 5 C3H1s 0.770 1.760 2.750 18.892 20.405 0.926 [OK] 3145 422 A PHE CD2 6 C3H1b 0.770 1.760 2.755 21.748 21.051 1.033 [OK] 3146 422 A PHE CE1 6 C3H1b 0.770 1.760 2.821 20.020 21.580 0.928 [OK] 3147 422 A PHE CE2 6 C3H1b 0.770 1.760 3.190 23.739 21.680 1.095 possible 3148 422 A PHE CZ 6 C3H1b 0.770 1.760 3.167 23.791 21.666 1.098 possible 3149 423 A GLY N 12 N3H1s 0.700 1.640 2.735 13.885 14.854 0.935 [OK] 3150 423 A GLY CA 8 C4H2s 0.770 1.880 3.136 30.091 23.688 1.270 possible 3151 423 A GLY C 2 C3H0b 0.770 1.610 2.689 10.180 9.840 1.035 [OK] 3152 423 A GLY O 16 O1H0u 0.660 1.420 2.449 14.858 16.391 0.906 [OK] 3153 424 A ILE N 12 N3H1s 0.700 1.640 2.678 12.437 13.633 0.912 [OK] 3154 424 A ILE CA 3 C4H1s 0.770 1.880 2.754 13.557 13.007 1.042 [OK] 3155 424 A ILE C 1 C3H0s 0.770 1.610 2.377 7.275 8.470 0.859 [OK] 3156 424 A ILE O 16 O1H0u 0.660 1.420 2.373 13.701 16.144 0.849 [OK] 3157 424 A ILE CB 4 C4H1b 0.770 1.880 3.059 12.973 14.227 0.912 possible 3158 424 A ILE CG1 9 C4H2b 0.770 1.880 3.018 21.233 24.187 0.878 possible 3159 424 A ILE CG2 10 C4H3u 0.770 1.880 3.301 41.134 35.961 1.144 possible 3160 424 A ILE CD1 10 C4H3u 0.770 1.880 3.239 43.526 38.377 1.134 possible 3161 425 A PHE N 12 N3H1s 0.700 1.640 2.642 13.089 13.691 0.956 [OK] 3162 425 A PHE CA 3 C4H1s 0.770 1.880 2.947 14.155 13.449 1.053 [OK] 3163 425 A PHE C 1 C3H0s 0.770 1.610 2.161 8.355 8.753 0.954 [OK] 3164 425 A PHE O 16 O1H0u 0.660 1.420 2.520 14.756 16.151 0.914 [OK] 3165 425 A PHE CB 8 C4H2s 0.770 1.880 2.622 21.271 23.777 0.895 [OK] 3166 425 A PHE CG 2 C3H0b 0.770 1.610 2.803 9.958 9.721 1.024 [OK] 3167 425 A PHE CD1 5 C3H1s 0.770 1.760 3.060 22.470 20.405 1.101 possible 3168 425 A PHE CD2 6 C3H1b 0.770 1.760 2.982 20.220 21.051 0.961 [OK] 3169 425 A PHE CE1 6 C3H1b 0.770 1.760 3.063 19.615 21.580 0.909 possible 3170 425 A PHE CE2 6 C3H1b 0.770 1.760 3.125 22.259 21.680 1.027 possible 3171 425 A PHE CZ 6 C3H1b 0.770 1.760 3.372 25.793 21.666 1.191 possible 3172 426 A ALA N 12 N3H1s 0.700 1.640 2.309 12.029 14.046 0.856 [OK] 3173 426 A ALA CA 4 C4H1b 0.770 1.880 2.900 15.027 14.063 1.069 [OK] 3174 426 A ALA C 1 C3H0s 0.770 1.610 2.553 8.821 8.900 0.991 [OK] 3175 426 A ALA O 16 O1H0u 0.660 1.420 2.480 15.687 16.188 0.969 [OK] 3176 426 A ALA CB 10 C4H3u 0.770 1.880 2.978 34.781 36.782 0.946 [OK] 3177 427 A GLY N 12 N3H1s 0.700 1.640 2.548 12.581 14.854 0.847 [OK] 3178 427 A GLY CA 8 C4H2s 0.770 1.880 2.933 24.177 23.688 1.021 [OK] 3179 427 A GLY C 2 C3H0b 0.770 1.610 2.195 8.354 9.840 0.849 [OK] 3180 427 A GLY O 16 O1H0u 0.660 1.420 2.446 15.318 16.391 0.935 [OK] 3181 428 A VAL N 12 N3H1s 0.700 1.640 2.228 11.925 13.676 0.872 [OK] 3182 428 A VAL CA 3 C4H1s 0.770 1.880 3.098 14.816 13.123 1.129 possible 3183 428 A VAL C 1 C3H0s 0.770 1.610 2.486 7.518 8.563 0.878 [OK] 3184 428 A VAL O 16 O1H0u 0.660 1.420 2.685 16.313 16.181 1.008 [OK] 3185 428 A VAL CB 4 C4H1b 0.770 1.880 3.036 15.192 14.598 1.041 possible 3186 428 A VAL CG1 10 C4H3u 0.770 1.880 3.798 50.634 36.584 1.384 possible 3187 428 A VAL CG2 10 C4H3u 0.770 1.880 3.217 41.705 36.332 1.148 possible 3188 429 A TYR N 12 N3H1s 0.700 1.640 2.588 12.779 13.691 0.933 [OK] 3189 429 A TYR CA 3 C4H1s 0.770 1.880 3.326 14.477 13.330 1.086 possible 3190 429 A TYR C 1 C3H0s 0.770 1.610 2.152 8.312 8.770 0.948 [OK] 3191 429 A TYR O 16 O1H0u 0.660 1.420 2.201 15.436 16.124 0.957 [OK] 3192 429 A TYR CB 8 C4H2s 0.770 1.880 2.834 23.249 23.678 0.982 [OK] 3193 429 A TYR CG 2 C3H0b 0.770 1.610 2.775 9.369 9.732 0.963 [OK] 3194 429 A TYR CD1 5 C3H1s 0.770 1.760 3.431 20.350 20.171 1.009 possible 3195 429 A TYR CD2 5 C3H1s 0.770 1.760 2.912 17.925 20.728 0.865 [OK] 3196 429 A TYR CE1 5 C3H1s 0.770 1.760 3.613 23.598 20.675 1.141 possible 3197 429 A TYR CE2 5 C3H1s 0.770 1.760 2.913 21.392 20.810 1.028 [OK] 3198 429 A TYR CZ 2 C3H0b 0.770 1.610 3.299 12.105 9.926 1.220 possible 3199 429 A TYR OH 17 O2H1u 0.660 1.460 2.752 19.083 19.173 0.995 [OK] 3200 430 A TYR N 12 N3H1s 0.700 1.640 2.365 12.317 13.691 0.900 [OK] 3201 430 A TYR CA 3 C4H1s 0.770 1.880 2.682 13.050 13.330 0.979 [OK] 3202 430 A TYR C 1 C3H0s 0.770 1.610 2.555 8.626 8.770 0.984 [OK] 3203 430 A TYR O 16 O1H0u 0.660 1.420 2.385 15.055 16.124 0.934 [OK] 3204 430 A TYR CB 8 C4H2s 0.770 1.880 2.810 21.815 23.678 0.921 [OK] 3205 430 A TYR CG 2 C3H0b 0.770 1.610 2.570 9.958 9.732 1.023 [OK] 3206 430 A TYR CD1 5 C3H1s 0.770 1.760 2.679 20.486 20.171 1.016 [OK] 3207 430 A TYR CD2 5 C3H1s 0.770 1.760 3.125 21.257 20.728 1.026 possible 3208 430 A TYR CE1 5 C3H1s 0.770 1.760 2.731 21.620 20.675 1.046 [OK] 3209 430 A TYR CE2 5 C3H1s 0.770 1.760 3.164 22.482 20.810 1.080 possible 3210 430 A TYR CZ 2 C3H0b 0.770 1.610 2.419 10.513 9.926 1.059 [OK] 3211 430 A TYR OH 17 O2H1u 0.660 1.460 3.475 28.408 19.173 1.482 possible 3212 431 A TRP N 12 N3H1s 0.700 1.640 2.398 12.273 13.791 0.890 [OK] 3213 431 A TRP CA 3 C4H1s 0.770 1.880 2.701 13.205 13.377 0.987 [OK] 3214 431 A TRP C 1 C3H0s 0.770 1.610 2.742 9.676 8.724 1.109 [OK] 3215 431 A TRP O 16 O1H0u 0.660 1.420 2.294 13.339 15.951 0.836 [OK] 3216 431 A TRP CB 8 C4H2s 0.770 1.880 2.914 21.869 24.004 0.911 [OK] 3217 431 A TRP CG 2 C3H0b 0.770 1.610 2.344 8.369 9.965 0.840 [OK] 3218 431 A TRP CD1 5 C3H1s 0.770 1.760 2.737 20.150 20.874 0.965 [OK] 3219 431 A TRP CD2 2 C3H0b 0.770 1.610 2.404 8.958 10.097 0.887 [OK] 3220 431 A TRP NE1 13 N3H1b 0.700 1.640 2.598 15.365 16.969 0.905 [OK] 3221 431 A TRP CE2 2 C3H0b 0.770 1.610 2.327 9.015 9.889 0.912 [OK] 3222 431 A TRP CE3 6 C3H1b 0.770 1.760 2.784 18.058 20.448 0.883 [OK] 3223 431 A TRP CZ2 6 C3H1b 0.770 1.760 3.141 24.407 21.012 1.162 possible 3224 431 A TRP CZ3 6 C3H1b 0.770 1.760 2.859 21.088 21.516 0.980 [OK] 3225 431 A TRP CH2 6 C3H1b 0.770 1.760 3.174 25.143 21.339 1.178 possible 3226 432 A ILE N 12 N3H1s 0.700 1.640 2.582 14.023 13.633 1.029 [OK] 3227 432 A ILE CA 3 C4H1s 0.770 1.880 2.783 12.668 13.007 0.974 [OK] 3228 432 A ILE C 1 C3H0s 0.770 1.610 2.429 8.106 8.470 0.957 [OK] 3229 432 A ILE O 16 O1H0u 0.660 1.420 2.605 14.204 16.144 0.880 [OK] 3230 432 A ILE CB 4 C4H1b 0.770 1.880 3.191 15.093 14.227 1.061 possible 3231 432 A ILE CG1 9 C4H2b 0.770 1.880 3.218 29.674 24.187 1.227 possible 3232 432 A ILE CG2 10 C4H3u 0.770 1.880 3.487 33.618 35.961 0.935 possible 3233 432 A ILE CD1 10 C4H3u 0.770 1.880 3.820 47.676 38.377 1.242 possible 3234 433 A GLY N 12 N3H1s 0.700 1.640 2.453 13.650 14.854 0.919 [OK] 3235 433 A GLY CA 8 C4H2s 0.770 1.880 3.290 25.197 23.688 1.064 possible 3236 433 A GLY C 2 C3H0b 0.770 1.610 2.766 9.241 9.840 0.939 [OK] 3237 433 A GLY O 16 O1H0u 0.660 1.420 2.555 18.018 16.391 1.099 [OK] 3238 434 A LYS N 12 N3H1s 0.700 1.640 2.389 12.235 13.675 0.895 [OK] 3239 434 A LYS CA 3 C4H1s 0.770 1.880 2.748 13.252 13.324 0.995 [OK] 3240 434 A LYS C 1 C3H0s 0.770 1.610 2.553 7.930 8.759 0.905 [OK] 3241 434 A LYS O 16 O1H0u 0.660 1.420 2.602 17.227 16.049 1.073 [OK] 3242 434 A LYS CB 8 C4H2s 0.770 1.880 2.763 23.101 22.904 1.009 [OK] 3243 434 A LYS CG 8 C4H2s 0.770 1.880 3.057 28.718 23.131 1.242 possible 3244 434 A LYS CD 8 C4H2s 0.770 1.880 3.080 25.508 23.837 1.070 possible 3245 434 A LYS CE 9 C4H2b 0.770 1.880 2.939 21.488 23.934 0.898 [OK] 3246 434 A LYS NZ 14 N4H3u 0.700 1.640 2.792 21.215 21.213 1.000 [OK] 3247 435 A MET N 12 N3H1s 0.700 1.640 2.621 12.251 13.564 0.903 [OK] 3248 435 A MET CA 3 C4H1s 0.770 1.880 2.928 13.569 13.231 1.026 [OK] 3249 435 A MET C 1 C3H0s 0.770 1.610 2.473 9.286 8.782 1.057 [OK] 3250 435 A MET O 16 O1H0u 0.660 1.420 3.287 23.809 16.277 1.463 possible 3251 435 A MET CB 8 C4H2s 0.770 1.880 3.140 25.776 23.645 1.090 possible 3252 435 A MET CG 9 C4H2b 0.770 1.880 2.894 22.423 24.009 0.934 [OK] 3253 435 A MET SD 19 S2H0u 1.040 1.770 3.307 38.519 30.093 1.280 possible 3254 435 A MET CE 10 C4H3u 0.770 1.880 3.218 41.997 37.161 1.130 possible 3255 436 A SER N 12 N3H1s 0.700 1.640 2.868 13.636 14.103 0.967 [OK] 3256 436 A SER CA 3 C4H1s 0.770 1.880 2.653 13.830 13.476 1.026 [OK] 3257 436 A SER C 1 C3H0s 0.770 1.610 2.378 9.100 8.923 1.020 [OK] 3258 436 A SER O 16 O1H0u 0.660 1.420 4.103 27.430 16.179 1.695 possible 3259 436 A SER CB 8 C4H2s 0.770 1.880 3.380 25.240 23.884 1.057 possible 3260 436 A SER OG 17 O2H1u 0.660 1.460 2.482 19.073 18.732 1.018 [OK] 3261 437 A GLY N 12 N3H1s 0.700 1.640 2.603 13.383 14.854 0.901 [OK] 3262 437 A GLY CA 8 C4H2s 0.770 1.880 2.715 21.869 23.688 0.923 [OK] 3263 437 A GLY C 2 C3H0b 0.770 1.610 2.711 10.984 9.840 1.116 [OK] 3264 437 A GLY O 16 O1H0u 0.660 1.420 2.413 15.248 16.391 0.930 [OK] 3265 438 A ARG N 12 N3H1s 0.700 1.640 2.521 12.183 13.650 0.893 [OK] 3266 438 A ARG CA 3 C4H1s 0.770 1.880 2.624 12.670 13.422 0.944 [OK] 3267 438 A ARG C 1 C3H0s 0.770 1.610 2.830 9.861 8.838 1.116 [OK] 3268 438 A ARG O 16 O1H0u 0.660 1.420 2.641 16.033 16.084 0.997 [OK] 3269 438 A ARG CB 8 C4H2s 0.770 1.880 2.908 21.276 23.088 0.922 [OK] 3270 438 A ARG CG 8 C4H2s 0.770 1.880 3.695 28.914 23.640 1.223 possible 3271 438 A ARG CD 8 C4H2s 0.770 1.880 4.666 31.908 23.300 1.369 possible 3272 438 A ARG NE 13 N3H1b 0.700 1.640 2.575 15.108 15.569 0.970 [OK] 3273 438 A ARG CZ 2 C3H0b 0.770 1.610 3.220 11.370 9.747 1.167 possible 3274 438 A ARG NH1 15 N3H2u 0.700 1.640 29.103 -1.000 22.782 -1.000 bad 3275 438 A ARG NH2 15 N3H2u 0.700 1.640 23.494 -1.000 23.810 -1.000 bad 3276 439 A GLN N 12 N3H1s 0.700 1.640 2.741 13.839 13.616 1.016 [OK] 3277 439 A GLN CA 3 C4H1s 0.770 1.880 2.906 11.627 13.334 0.872 [OK] 3278 439 A GLN C 1 C3H0s 0.770 1.610 2.328 8.097 8.787 0.922 [OK] 3279 439 A GLN O 16 O1H0u 0.660 1.420 2.518 15.424 15.993 0.964 [OK] 3280 439 A GLN CB 8 C4H2s 0.770 1.880 4.255 30.784 23.275 1.323 possible 3281 439 A GLN CG 8 C4H2s 0.770 1.880 6.974 72.174 23.465 3.076 possible 3282 439 A GLN CD 2 C3H0b 0.770 1.610 2.976 10.890 9.659 1.127 [OK] 3283 439 A GLN OE1 16 O1H0u 0.660 1.420 2.787 15.389 17.091 0.900 [OK] 3284 439 A GLN NE2 15 N3H2u 0.700 1.640 4.963 42.752 24.150 1.770 possible 3285 440 A TYR N 12 N3H1s 0.700 1.640 2.572 13.431 13.691 0.981 [OK] 3286 440 A TYR CA 3 C4H1s 0.770 1.880 2.557 10.965 13.330 0.823 [OK] 3287 440 A TYR C 1 C3H0s 0.770 1.610 2.158 7.746 8.770 0.883 [OK] 3288 440 A TYR O 16 O1H0u 0.660 1.420 4.814 26.902 16.124 1.668 possible 3289 440 A TYR CB 8 C4H2s 0.770 1.880 3.582 27.732 23.678 1.171 possible 3290 440 A TYR CG 2 C3H0b 0.770 1.610 2.566 9.498 9.732 0.976 [OK] 3291 440 A TYR CD1 5 C3H1s 0.770 1.760 2.874 16.885 20.171 0.837 [OK] 3292 440 A TYR CD2 5 C3H1s 0.770 1.760 2.999 18.541 20.728 0.894 [OK] 3293 440 A TYR CE1 5 C3H1s 0.770 1.760 3.230 19.620 20.675 0.949 possible 3294 440 A TYR CE2 5 C3H1s 0.770 1.760 2.722 19.434 20.810 0.934 [OK] 3295 440 A TYR CZ 2 C3H0b 0.770 1.610 3.113 11.485 9.926 1.157 possible 3296 440 A TYR OH 17 O2H1u 0.660 1.460 2.926 19.089 19.173 0.996 [OK] 3297 441 A PRO N 11 N3H0u 0.700 1.640 2.528 8.140 8.823 0.923 [OK] 3298 441 A PRO CA 4 C4H1b 0.770 1.880 5.578 23.650 13.955 1.695 possible 3299 441 A PRO C 1 C3H0s 0.770 1.610 2.481 8.644 8.812 0.981 [OK] 3300 441 A PRO O 16 O1H0u 0.660 1.420 2.553 15.420 16.169 0.954 [OK] 3301 441 A PRO CB 9 C4H2b 0.770 1.880 4.191 36.201 25.563 1.416 possible 3302 441 A PRO CG 9 C4H2b 0.770 1.880 3.135 28.047 25.832 1.086 possible 3303 441 A PRO CD 8 C4H2s 0.770 1.880 3.098 26.017 23.836 1.091 possible 3304 442 A GLU N 12 N3H1s 0.700 1.640 7.000 39.512 13.615 2.902 possible 3305 442 A GLU CA 3 C4H1s 0.770 1.880 2.701 11.671 13.399 0.871 [OK] 3306 442 A GLU C 1 C3H0s 0.770 1.610 2.916 8.317 8.675 0.959 [OK] 3307 442 A GLU O 16 O1H0u 0.660 1.420 2.740 14.735 16.023 0.920 [OK] 3308 442 A GLU CB 8 C4H2s 0.770 1.880 28.460 -1.000 23.529 -1.000 bad 3309 442 A GLU CG 8 C4H2s 0.770 1.880 7.069 60.239 23.513 2.562 possible 3310 442 A GLU CD 2 C3H0b 0.770 1.610 2.518 9.311 9.460 0.984 [OK] 3311 442 A GLU OE1 16 O1H0u 0.660 1.420 4.163 26.048 15.999 1.628 possible 3312 442 A GLU OE2 16 O1H0u 0.660 1.420 2.521 16.625 17.432 0.954 [OK] 3313 443 A TRP N 12 N3H1s 0.700 1.640 4.802 24.346 13.791 1.765 possible 3314 443 A TRP CA 3 C4H1s 0.770 1.880 4.700 22.847 13.377 1.708 possible 3315 443 A TRP C 1 C3H0s 0.770 1.610 2.261 7.810 8.724 0.895 [OK] 3316 443 A TRP O 16 O1H0u 0.660 1.420 5.405 24.089 15.951 1.510 possible 3317 443 A TRP CB 8 C4H2s 0.770 1.880 33.202 -1.000 24.004 -1.000 bad 3318 443 A TRP CG 2 C3H0b 0.770 1.610 0.664 -1.000 9.965 -1.000 bad 3319 443 A TRP CD1 5 C3H1s 0.770 1.760 17.115 -1.000 20.874 -1.000 bad 3320 443 A TRP CD2 2 C3H0b 0.770 1.610 1.726 -1.000 10.097 -1.000 bad 3321 443 A TRP NE1 13 N3H1b 0.700 1.640 5.146 21.814 16.969 1.286 possible 3322 443 A TRP CE2 2 C3H0b 0.770 1.610 7.738 18.110 9.889 1.831 possible 3323 443 A TRP CE3 6 C3H1b 0.770 1.760 12.631 -1.000 20.448 -1.000 bad 3324 443 A TRP CZ2 6 C3H1b 0.770 1.760 7.882 45.214 21.012 2.152 possible 3325 443 A TRP CZ3 6 C3H1b 0.770 1.760 12.441 -1.000 21.516 -1.000 bad 3326 443 A TRP CH2 6 C3H1b 0.770 1.760 22.470 -1.000 21.339 -1.000 bad 3327 444 A ALA N 12 N3H1s 0.700 1.640 2.472 13.010 14.046 0.926 [OK] 3328 444 A ALA CA 4 C4H1b 0.770 1.880 2.739 13.731 14.063 0.976 [OK] 3329 444 A ALA C 1 C3H0s 0.770 1.610 2.329 8.000 8.900 0.899 [OK] 3330 444 A ALA O 16 O1H0u 0.660 1.420 2.216 13.391 16.188 0.827 [OK] 3331 444 A ALA CB 10 C4H3u 0.770 1.880 3.009 35.973 36.782 0.978 possible 3332 445 A GLY N 12 N3H1s 0.700 1.640 2.801 14.152 14.854 0.953 [OK] 3333 445 A GLY CA 8 C4H2s 0.770 1.880 3.002 23.749 23.688 1.003 possible 3334 445 A GLY C 2 C3H0b 0.770 1.610 2.090 8.355 9.840 0.849 [OK] 3335 445 A GLY O 16 O1H0u 0.660 1.420 2.380 17.768 16.391 1.084 [OK] 3336 446 A GLN N 12 N3H1s 0.700 1.640 2.123 11.521 13.616 0.846 [OK] 3337 446 A GLN CA 3 C4H1s 0.770 1.880 2.726 13.447 13.334 1.008 [OK] 3338 446 A GLN C 1 C3H0s 0.770 1.610 3.007 9.011 8.787 1.025 possible 3339 446 A GLN O 16 O1H0u 0.660 1.420 2.454 14.694 15.993 0.919 [OK] 3340 446 A GLN CB 8 C4H2s 0.770 1.880 5.251 34.395 23.275 1.478 possible 3341 446 A GLN CG 8 C4H2s 0.770 1.880 2.865 20.671 23.465 0.881 [OK] 3342 446 A GLN CD 2 C3H0b 0.770 1.610 3.059 11.248 9.659 1.165 possible 3343 446 A GLN OE1 16 O1H0u 0.660 1.420 19.101 -1.000 17.091 -1.000 bad 3344 446 A GLN NE2 15 N3H2u 0.700 1.640 3.050 26.966 24.150 1.117 possible 3345 447 A LEU N 12 N3H1s 0.700 1.640 5.213 18.008 13.655 1.319 possible 3346 447 A LEU CA 3 C4H1s 0.770 1.880 5.113 18.687 13.122 1.424 possible 3347 447 A LEU C 1 C3H0s 0.770 1.610 2.702 7.838 8.825 0.888 [OK] 3348 447 A LEU O 16 O1H0u 0.660 1.420 2.543 15.208 16.208 0.938 [OK] 3349 447 A LEU CB 8 C4H2s 0.770 1.880 5.671 32.315 22.951 1.408 possible 3350 447 A LEU CG 4 C4H1b 0.770 1.880 2.990 14.576 14.764 0.987 [OK] 3351 447 A LEU CD1 10 C4H3u 0.770 1.880 38.034 -1.000 37.425 -1.000 bad 3352 447 A LEU CD2 10 C4H3u 0.770 1.880 22.425 -1.000 37.143 -1.000 bad 3353 448 A HIS N 12 N3H1s 0.700 1.640 2.629 12.479 13.715 0.910 [OK] 3354 448 A HIS CA 3 C4H1s 0.770 1.880 3.079 15.231 13.467 1.131 possible 3355 448 A HIS C 1 C3H0s 0.770 1.610 2.236 7.696 8.882 0.867 [OK] 3356 448 A HIS O 16 O1H0u 0.660 1.420 2.398 15.484 16.082 0.963 [OK] 3357 448 A HIS CB 8 C4H2s 0.770 1.880 2.724 21.381 23.653 0.904 [OK] 3358 448 A HIS CG 2 C3H0b 0.770 1.610 2.529 10.359 9.952 1.041 [OK] 3359 448 A HIS ND1 13 N3H1b 0.700 1.640 2.698 14.348 15.506 0.925 [OK] 3360 448 A HIS CD2 5 C3H1s 0.770 1.760 2.847 20.575 21.085 0.976 [OK] 3361 448 A HIS CE1 5 C3H1s 0.770 1.760 2.525 16.700 20.636 0.809 [OK] 3362 448 A HIS NE2 13 N3H1b 0.700 1.640 3.205 21.661 15.337 1.412 possible 3363 449 A PHE N 12 N3H1s 0.700 1.640 2.506 13.110 13.691 0.958 [OK] 3364 449 A PHE CA 3 C4H1s 0.770 1.880 2.576 12.075 13.449 0.898 [OK] 3365 449 A PHE C 1 C3H0s 0.770 1.610 2.068 7.550 8.753 0.863 [OK] 3366 449 A PHE O 16 O1H0u 0.660 1.420 2.669 15.799 16.151 0.978 [OK] 3367 449 A PHE CB 8 C4H2s 0.770 1.880 2.926 24.092 23.777 1.013 [OK] 3368 449 A PHE CG 2 C3H0b 0.770 1.610 2.388 8.754 9.721 0.901 [OK] 3369 449 A PHE CD1 5 C3H1s 0.770 1.760 3.103 20.450 20.405 1.002 possible 3370 449 A PHE CD2 6 C3H1b 0.770 1.760 2.739 18.552 21.051 0.881 [OK] 3371 449 A PHE CE1 6 C3H1b 0.770 1.760 3.080 22.701 21.580 1.052 possible 3372 449 A PHE CE2 6 C3H1b 0.770 1.760 3.021 22.926 21.680 1.057 possible 3373 449 A PHE CZ 6 C3H1b 0.770 1.760 3.051 24.442 21.666 1.128 possible 3374 450 A TRP N 12 N3H1s 0.700 1.640 2.293 12.371 13.791 0.897 [OK] 3375 450 A TRP CA 3 C4H1s 0.770 1.880 2.645 12.721 13.377 0.951 [OK] 3376 450 A TRP C 1 C3H0s 0.770 1.610 3.734 9.360 8.724 1.073 possible 3377 450 A TRP O 16 O1H0u 0.660 1.420 2.985 13.681 15.951 0.858 [OK] 3378 450 A TRP CB 8 C4H2s 0.770 1.880 15.457 -1.000 24.004 -1.000 bad 3379 450 A TRP CG 2 C3H0b 0.770 1.610 1.279 -1.000 9.965 -1.000 bad 3380 450 A TRP CD1 5 C3H1s 0.770 1.760 14.394 -1.000 20.874 -1.000 bad 3381 450 A TRP CD2 2 C3H0b 0.770 1.610 1.851 -1.000 10.097 -1.000 bad 3382 450 A TRP NE1 13 N3H1b 0.700 1.640 8.088 -1.000 16.969 -1.000 bad 3383 450 A TRP CE2 2 C3H0b 0.770 1.610 1.617 -1.000 9.889 -1.000 bad 3384 450 A TRP CE3 6 C3H1b 0.770 1.760 6.209 -1.000 20.448 -1.000 bad 3385 450 A TRP CZ2 6 C3H1b 0.770 1.760 7.411 -1.000 21.012 -1.000 bad 3386 450 A TRP CZ3 6 C3H1b 0.770 1.760 15.032 -1.000 21.516 -1.000 bad 3387 450 A TRP CH2 6 C3H1b 0.770 1.760 14.089 -1.000 21.339 -1.000 bad 3388 451 A MET N 12 N3H1s 0.700 1.640 4.368 16.651 13.564 1.228 possible 3389 451 A MET CA 3 C4H1s 0.770 1.880 4.487 21.093 13.231 1.594 possible 3390 451 A MET C 1 C3H0s 0.770 1.610 2.609 8.320 8.782 0.947 [OK] 3391 451 A MET O 16 O1H0u 0.660 1.420 2.768 18.531 16.277 1.138 [OK] 3392 451 A MET CB 8 C4H2s 0.770 1.880 3.112 24.508 23.645 1.037 possible 3393 451 A MET CG 9 C4H2b 0.770 1.880 6.251 45.878 24.009 1.911 possible 3394 451 A MET SD 19 S2H0u 1.040 1.770 3.951 46.933 30.093 1.560 possible 3395 451 A MET CE 10 C4H3u 0.770 1.880 54.299 -1.000 37.161 -1.000 bad 3396 452 A MET N 12 N3H1s 0.700 1.640 2.483 12.895 13.564 0.951 [OK] 3397 452 A MET CA 3 C4H1s 0.770 1.880 2.946 15.471 13.231 1.169 [OK] 3398 452 A MET C 1 C3H0s 0.770 1.610 2.373 8.028 8.782 0.914 [OK] 3399 452 A MET O 16 O1H0u 0.660 1.420 2.518 15.594 16.277 0.958 [OK] 3400 452 A MET CB 8 C4H2s 0.770 1.880 3.075 23.772 23.645 1.005 possible 3401 452 A MET CG 9 C4H2b 0.770 1.880 3.107 23.988 24.009 0.999 possible 3402 452 A MET SD 19 S2H0u 1.040 1.770 3.355 35.850 30.093 1.191 possible 3403 452 A MET CE 10 C4H3u 0.770 1.880 2.975 35.865 37.161 0.965 [OK] 3404 453 A PHE N 12 N3H1s 0.700 1.640 2.944 13.503 13.691 0.986 [OK] 3405 453 A PHE CA 3 C4H1s 0.770 1.880 3.015 15.865 13.449 1.180 possible 3406 453 A PHE C 1 C3H0s 0.770 1.610 2.353 7.955 8.753 0.909 [OK] 3407 453 A PHE O 16 O1H0u 0.660 1.420 2.861 16.245 16.151 1.006 [OK] 3408 453 A PHE CB 8 C4H2s 0.770 1.880 3.175 23.985 23.777 1.009 possible 3409 453 A PHE CG 2 C3H0b 0.770 1.610 2.867 10.476 9.721 1.078 [OK] 3410 453 A PHE CD1 5 C3H1s 0.770 1.760 2.926 22.584 20.405 1.107 [OK] 3411 453 A PHE CD2 6 C3H1b 0.770 1.760 3.573 24.006 21.051 1.140 possible 3412 453 A PHE CE1 6 C3H1b 0.770 1.760 3.069 23.074 21.580 1.069 possible 3413 453 A PHE CE2 6 C3H1b 0.770 1.760 25.318 -1.000 21.680 -1.000 bad 3414 453 A PHE CZ 6 C3H1b 0.770 1.760 5.550 35.718 21.666 1.649 possible 3415 454 A ILE N 12 N3H1s 0.700 1.640 2.426 12.078 13.633 0.886 [OK] 3416 454 A ILE CA 3 C4H1s 0.770 1.880 5.150 22.742 13.007 1.748 possible 3417 454 A ILE C 1 C3H0s 0.770 1.610 2.305 7.866 8.470 0.929 [OK] 3418 454 A ILE O 16 O1H0u 0.660 1.420 3.994 17.779 16.144 1.101 possible 3419 454 A ILE CB 4 C4H1b 0.770 1.880 4.273 16.844 14.227 1.184 possible 3420 454 A ILE CG1 9 C4H2b 0.770 1.880 31.020 -1.000 24.187 -1.000 bad 3421 454 A ILE CG2 10 C4H3u 0.770 1.880 21.824 -1.000 35.961 -1.000 bad 3422 454 A ILE CD1 10 C4H3u 0.770 1.880 17.255 -1.000 38.377 -1.000 bad 3423 455 A GLY N 12 N3H1s 0.700 1.640 2.517 13.902 14.854 0.936 [OK] 3424 455 A GLY CA 8 C4H2s 0.770 1.880 2.867 25.143 23.688 1.061 [OK] 3425 455 A GLY C 2 C3H0b 0.770 1.610 2.180 8.076 9.840 0.821 [OK] 3426 455 A GLY O 16 O1H0u 0.660 1.420 2.148 13.448 16.391 0.820 [OK] 3427 456 A SER N 12 N3H1s 0.700 1.640 2.511 13.214 14.103 0.937 [OK] 3428 456 A SER CA 3 C4H1s 0.770 1.880 2.991 14.687 13.476 1.090 [OK] 3429 456 A SER C 1 C3H0s 0.770 1.610 2.208 7.986 8.923 0.895 [OK] 3430 456 A SER O 16 O1H0u 0.660 1.420 2.520 15.928 16.179 0.984 [OK] 3431 456 A SER CB 8 C4H2s 0.770 1.880 3.016 22.531 23.884 0.943 possible 3432 456 A SER OG 17 O2H1u 0.660 1.460 2.649 23.613 18.732 1.261 [OK] 3433 457 A ASN N 12 N3H1s 0.700 1.640 2.495 13.026 13.695 0.951 [OK] 3434 457 A ASN CA 3 C4H1s 0.770 1.880 2.867 13.643 13.167 1.036 [OK] 3435 457 A ASN C 1 C3H0s 0.770 1.610 2.880 8.941 8.928 1.001 [OK] 3436 457 A ASN O 16 O1H0u 0.660 1.420 2.540 16.265 16.199 1.004 [OK] 3437 457 A ASN CB 8 C4H2s 0.770 1.880 5.376 46.318 23.128 2.003 possible 3438 457 A ASN CG 2 C3H0b 0.770 1.610 4.331 13.794 9.599 1.437 possible 3439 457 A ASN OD1 16 O1H0u 0.660 1.420 3.378 22.416 16.664 1.345 possible 3440 457 A ASN ND2 15 N3H2u 0.700 1.640 4.178 30.202 23.083 1.308 possible 3441 458 A LEU N 12 N3H1s 0.700 1.640 3.083 13.694 13.655 1.003 possible 3442 458 A LEU CA 3 C4H1s 0.770 1.880 3.039 14.085 13.122 1.073 possible 3443 458 A LEU C 1 C3H0s 0.770 1.610 2.408 8.522 8.825 0.966 [OK] 3444 458 A LEU O 16 O1H0u 0.660 1.420 2.492 16.438 16.208 1.014 [OK] 3445 458 A LEU CB 8 C4H2s 0.770 1.880 3.054 21.889 22.951 0.954 possible 3446 458 A LEU CG 4 C4H1b 0.770 1.880 3.937 17.736 14.764 1.201 possible 3447 458 A LEU CD1 10 C4H3u 0.770 1.880 18.683 -1.000 37.425 -1.000 bad 3448 458 A LEU CD2 10 C4H3u 0.770 1.880 28.934 -1.000 37.143 -1.000 bad 3449 459 A ILE N 12 N3H1s 0.700 1.640 2.392 12.310 13.633 0.903 [OK] 3450 459 A ILE CA 3 C4H1s 0.770 1.880 2.455 12.287 13.007 0.945 [OK] 3451 459 A ILE C 1 C3H0s 0.770 1.610 2.215 7.776 8.470 0.918 [OK] 3452 459 A ILE O 16 O1H0u 0.660 1.420 2.450 15.511 16.144 0.961 [OK] 3453 459 A ILE CB 4 C4H1b 0.770 1.880 2.615 12.001 14.227 0.844 [OK] 3454 459 A ILE CG1 9 C4H2b 0.770 1.880 2.694 18.604 24.187 0.769 [OK] 3455 459 A ILE CG2 10 C4H3u 0.770 1.880 3.161 33.966 35.961 0.945 possible 3456 459 A ILE CD1 10 C4H3u 0.770 1.880 3.190 34.333 38.377 0.895 possible 3457 460 A PHE N 12 N3H1s 0.700 1.640 2.581 12.693 13.691 0.927 [OK] 3458 460 A PHE CA 3 C4H1s 0.770 1.880 2.803 12.344 13.449 0.918 [OK] 3459 460 A PHE C 1 C3H0s 0.770 1.610 2.323 8.636 8.753 0.987 [OK] 3460 460 A PHE O 16 O1H0u 0.660 1.420 2.446 15.564 16.151 0.964 [OK] 3461 460 A PHE CB 8 C4H2s 0.770 1.880 2.991 26.087 23.777 1.097 [OK] 3462 460 A PHE CG 2 C3H0b 0.770 1.610 2.746 8.902 9.721 0.916 [OK] 3463 460 A PHE CD1 5 C3H1s 0.770 1.760 2.760 19.213 20.405 0.942 [OK] 3464 460 A PHE CD2 6 C3H1b 0.770 1.760 2.865 17.779 21.051 0.845 [OK] 3465 460 A PHE CE1 6 C3H1b 0.770 1.760 2.965 19.305 21.580 0.895 [OK] 3466 460 A PHE CE2 6 C3H1b 0.770 1.760 3.060 21.305 21.680 0.983 possible 3467 460 A PHE CZ 6 C3H1b 0.770 1.760 2.505 16.821 21.666 0.776 [OK] 3468 461 A PHE N 12 N3H1s 0.700 1.640 2.684 12.978 13.691 0.948 [OK] 3469 461 A PHE CA 3 C4H1s 0.770 1.880 2.420 11.832 13.449 0.880 [OK] 3470 461 A PHE C 1 C3H0s 0.770 1.610 2.538 8.287 8.753 0.947 [OK] 3471 461 A PHE O 16 O1H0u 0.660 1.420 2.483 15.731 16.151 0.974 [OK] 3472 461 A PHE CB 8 C4H2s 0.770 1.880 3.501 22.683 23.777 0.954 possible 3473 461 A PHE CG 2 C3H0b 0.770 1.610 3.273 11.071 9.721 1.139 possible 3474 461 A PHE CD1 5 C3H1s 0.770 1.760 3.694 23.252 20.405 1.140 possible 3475 461 A PHE CD2 6 C3H1b 0.770 1.760 2.975 21.868 21.051 1.039 [OK] 3476 461 A PHE CE1 6 C3H1b 0.770 1.760 4.355 31.157 21.580 1.444 possible 3477 461 A PHE CE2 6 C3H1b 0.770 1.760 3.030 22.455 21.680 1.036 possible 3478 461 A PHE CZ 6 C3H1b 0.770 1.760 4.848 33.497 21.666 1.546 possible 3479 462 A PRO N 11 N3H0u 0.700 1.640 2.846 9.045 8.823 1.025 [OK] 3480 462 A PRO CA 4 C4H1b 0.770 1.880 2.978 14.485 13.955 1.038 [OK] 3481 462 A PRO C 1 C3H0s 0.770 1.610 2.781 8.755 8.812 0.994 [OK] 3482 462 A PRO O 16 O1H0u 0.660 1.420 2.421 15.292 16.169 0.946 [OK] 3483 462 A PRO CB 9 C4H2b 0.770 1.880 3.147 28.198 25.563 1.103 possible 3484 462 A PRO CG 9 C4H2b 0.770 1.880 3.168 30.715 25.832 1.189 possible 3485 462 A PRO CD 8 C4H2s 0.770 1.880 2.935 21.114 23.836 0.886 [OK] 3486 463 A GLN N 12 N3H1s 0.700 1.640 2.921 14.125 13.616 1.037 [OK] 3487 463 A GLN CA 3 C4H1s 0.770 1.880 2.659 13.429 13.334 1.007 [OK] 3488 463 A GLN C 1 C3H0s 0.770 1.610 2.227 8.615 8.787 0.980 [OK] 3489 463 A GLN O 16 O1H0u 0.660 1.420 2.221 15.616 15.993 0.976 [OK] 3490 463 A GLN CB 8 C4H2s 0.770 1.880 2.714 20.657 23.275 0.888 [OK] 3491 463 A GLN CG 8 C4H2s 0.770 1.880 3.147 25.612 23.465 1.092 possible 3492 463 A GLN CD 2 C3H0b 0.770 1.610 2.569 9.492 9.659 0.983 [OK] 3493 463 A GLN OE1 16 O1H0u 0.660 1.420 2.577 19.049 17.091 1.115 [OK] 3494 463 A GLN NE2 15 N3H2u 0.700 1.640 2.778 27.718 24.150 1.148 [OK] 3495 464 A HIS N 12 N3H1s 0.700 1.640 2.340 12.514 13.715 0.912 [OK] 3496 464 A HIS CA 3 C4H1s 0.770 1.880 2.720 13.628 13.467 1.012 [OK] 3497 464 A HIS C 1 C3H0s 0.770 1.610 2.675 8.752 8.882 0.985 [OK] 3498 464 A HIS O 16 O1H0u 0.660 1.420 2.506 15.396 16.082 0.957 [OK] 3499 464 A HIS CB 8 C4H2s 0.770 1.880 2.988 25.587 23.653 1.082 [OK] 3500 464 A HIS CG 2 C3H0b 0.770 1.610 2.436 9.478 9.952 0.952 [OK] 3501 464 A HIS ND1 13 N3H1b 0.700 1.640 2.574 14.546 15.506 0.938 [OK] 3502 464 A HIS CD2 5 C3H1s 0.770 1.760 2.861 21.444 21.085 1.017 [OK] 3503 464 A HIS CE1 5 C3H1s 0.770 1.760 2.808 21.325 20.636 1.033 [OK] 3504 464 A HIS NE2 13 N3H1b 0.700 1.640 2.773 18.720 15.337 1.221 [OK] 3505 465 A PHE N 12 N3H1s 0.700 1.640 2.573 12.607 13.691 0.921 [OK] 3506 465 A PHE CA 3 C4H1s 0.770 1.880 2.576 13.599 13.449 1.011 [OK] 3507 465 A PHE C 1 C3H0s 0.770 1.610 2.812 9.045 8.753 1.033 [OK] 3508 465 A PHE O 16 O1H0u 0.660 1.420 2.523 14.990 16.151 0.928 [OK] 3509 465 A PHE CB 8 C4H2s 0.770 1.880 2.856 20.378 23.777 0.857 [OK] 3510 465 A PHE CG 2 C3H0b 0.770 1.610 2.612 9.642 9.721 0.992 [OK] 3511 465 A PHE CD1 5 C3H1s 0.770 1.760 2.801 19.844 20.405 0.973 [OK] 3512 465 A PHE CD2 6 C3H1b 0.770 1.760 2.725 17.326 21.051 0.823 [OK] 3513 465 A PHE CE1 6 C3H1b 0.770 1.760 2.984 22.638 21.580 1.049 [OK] 3514 465 A PHE CE2 6 C3H1b 0.770 1.760 2.973 24.489 21.680 1.130 [OK] 3515 465 A PHE CZ 6 C3H1b 0.770 1.760 2.982 25.307 21.666 1.168 [OK] 3516 466 A LEU N 12 N3H1s 0.700 1.640 3.013 14.946 13.655 1.095 possible 3517 466 A LEU CA 3 C4H1s 0.770 1.880 3.233 14.657 13.122 1.117 possible 3518 466 A LEU C 1 C3H0s 0.770 1.610 2.568 8.512 8.825 0.964 [OK] 3519 466 A LEU O 16 O1H0u 0.660 1.420 2.275 14.002 16.208 0.864 [OK] 3520 466 A LEU CB 8 C4H2s 0.770 1.880 2.745 21.951 22.951 0.956 [OK] 3521 466 A LEU CG 4 C4H1b 0.770 1.880 2.699 13.564 14.764 0.919 [OK] 3522 466 A LEU CD1 10 C4H3u 0.770 1.880 3.147 40.798 37.425 1.090 possible 3523 466 A LEU CD2 10 C4H3u 0.770 1.880 3.730 37.549 37.143 1.011 possible 3524 467 A GLY N 12 N3H1s 0.700 1.640 2.583 14.610 14.854 0.984 [OK] 3525 467 A GLY CA 8 C4H2s 0.770 1.880 2.765 22.510 23.688 0.950 [OK] 3526 467 A GLY C 2 C3H0b 0.770 1.610 2.487 9.735 9.840 0.989 [OK] 3527 467 A GLY O 16 O1H0u 0.660 1.420 2.864 22.726 16.391 1.387 [OK] 3528 468 A ARG N 12 N3H1s 0.700 1.640 2.568 12.620 13.650 0.925 [OK] 3529 468 A ARG CA 3 C4H1s 0.770 1.880 3.090 15.436 13.422 1.150 possible 3530 468 A ARG C 1 C3H0s 0.770 1.610 2.217 8.405 8.838 0.951 [OK] 3531 468 A ARG O 16 O1H0u 0.660 1.420 3.076 25.600 16.084 1.592 possible 3532 468 A ARG CB 8 C4H2s 0.770 1.880 2.902 23.927 23.088 1.036 [OK] 3533 468 A ARG CG 8 C4H2s 0.770 1.880 2.792 21.089 23.640 0.892 [OK] 3534 468 A ARG CD 8 C4H2s 0.770 1.880 3.002 23.296 23.300 1.000 possible 3535 468 A ARG NE 13 N3H1b 0.700 1.640 3.118 19.320 15.569 1.241 possible 3536 468 A ARG CZ 2 C3H0b 0.770 1.610 2.591 10.150 9.747 1.041 [OK] 3537 468 A ARG NH1 15 N3H2u 0.700 1.640 3.281 25.900 22.782 1.137 possible 3538 468 A ARG NH2 15 N3H2u 0.700 1.640 3.361 26.376 23.810 1.108 possible 3539 469 A GLN N 12 N3H1s 0.700 1.640 2.687 12.313 13.616 0.904 [OK] 3540 469 A GLN CA 3 C4H1s 0.770 1.880 2.951 14.419 13.334 1.081 [OK] 3541 469 A GLN C 1 C3H0s 0.770 1.610 2.944 10.168 8.787 1.157 [OK] 3542 469 A GLN O 16 O1H0u 0.660 1.420 2.721 20.173 15.993 1.261 [OK] 3543 469 A GLN CB 8 C4H2s 0.770 1.880 3.146 22.261 23.275 0.956 possible 3544 469 A GLN CG 8 C4H2s 0.770 1.880 3.764 27.192 23.465 1.159 possible 3545 469 A GLN CD 2 C3H0b 0.770 1.610 2.523 9.364 9.659 0.969 [OK] 3546 469 A GLN OE1 16 O1H0u 0.660 1.420 3.989 29.077 17.091 1.701 possible 3547 469 A GLN NE2 15 N3H2u 0.700 1.640 3.286 22.647 24.150 0.938 possible 3548 470 A GLY N 12 N3H1s 0.700 1.640 2.818 13.387 14.854 0.901 [OK] 3549 470 A GLY CA 8 C4H2s 0.770 1.880 3.576 31.334 23.688 1.323 possible 3550 470 A GLY C 2 C3H0b 0.770 1.610 2.636 10.289 9.840 1.046 [OK] 3551 470 A GLY O 16 O1H0u 0.660 1.420 2.524 13.969 16.391 0.852 [OK] 3552 471 A MET N 12 N3H1s 0.700 1.640 2.550 12.646 13.564 0.932 [OK] 3553 471 A MET CA 3 C4H1s 0.770 1.880 2.799 11.663 13.231 0.882 [OK] 3554 471 A MET C 1 C3H0s 0.770 1.610 2.518 8.235 8.782 0.938 [OK] 3555 471 A MET O 16 O1H0u 0.660 1.420 2.362 16.389 16.277 1.007 [OK] 3556 471 A MET CB 8 C4H2s 0.770 1.880 2.739 20.880 23.645 0.883 [OK] 3557 471 A MET CG 9 C4H2b 0.770 1.880 3.188 24.099 24.009 1.004 possible 3558 471 A MET SD 19 S2H0u 1.040 1.770 2.902 27.528 30.093 0.915 [OK] 3559 471 A MET CE 10 C4H3u 0.770 1.880 3.200 41.327 37.161 1.112 possible 3560 472 A PRO N 11 N3H0u 0.700 1.640 2.518 8.174 8.823 0.926 [OK] 3561 472 A PRO CA 4 C4H1b 0.770 1.880 2.901 13.355 13.955 0.957 [OK] 3562 472 A PRO C 1 C3H0s 0.770 1.610 2.335 9.149 8.812 1.038 [OK] 3563 472 A PRO O 16 O1H0u 0.660 1.420 2.657 18.501 16.169 1.144 [OK] 3564 472 A PRO CB 9 C4H2b 0.770 1.880 3.032 27.804 25.563 1.088 possible 3565 472 A PRO CG 9 C4H2b 0.770 1.880 3.055 27.342 25.832 1.058 possible 3566 472 A PRO CD 8 C4H2s 0.770 1.880 3.241 27.169 23.836 1.140 possible 3567 473 A ARG N 12 N3H1s 0.700 1.640 2.404 13.802 13.650 1.011 [OK] 3568 473 A ARG CA 3 C4H1s 0.770 1.880 2.705 12.774 13.422 0.952 [OK] 3569 473 A ARG C 1 C3H0s 0.770 1.610 2.514 8.809 8.838 0.997 [OK] 3570 473 A ARG O 16 O1H0u 0.660 1.420 2.308 14.768 16.084 0.918 [OK] 3571 473 A ARG CB 8 C4H2s 0.770 1.880 2.971 23.564 23.088 1.021 [OK] 3572 473 A ARG CG 8 C4H2s 0.770 1.880 2.903 22.784 23.640 0.964 [OK] 3573 473 A ARG CD 8 C4H2s 0.770 1.880 3.108 24.525 23.300 1.053 possible 3574 473 A ARG NE 13 N3H1b 0.700 1.640 2.726 14.508 15.569 0.932 [OK] 3575 473 A ARG CZ 2 C3H0b 0.770 1.610 2.669 10.789 9.747 1.107 [OK] 3576 473 A ARG NH1 15 N3H2u 0.700 1.640 3.609 28.937 22.782 1.270 possible 3577 473 A ARG NH2 15 N3H2u 0.700 1.640 2.537 21.874 23.810 0.919 [OK] 3578 474 A ARG N 12 N3H1s 0.700 1.640 2.673 12.498 13.650 0.916 [OK] 3579 474 A ARG CA 3 C4H1s 0.770 1.880 2.877 13.365 13.422 0.996 [OK] 3580 474 A ARG C 1 C3H0s 0.770 1.610 2.445 9.275 8.838 1.049 [OK] 3581 474 A ARG O 16 O1H0u 0.660 1.420 3.515 24.826 16.084 1.543 possible 3582 474 A ARG CB 8 C4H2s 0.770 1.880 3.117 22.958 23.088 0.994 possible 3583 474 A ARG CG 8 C4H2s 0.770 1.880 2.699 20.256 23.640 0.857 [OK] 3584 474 A ARG CD 8 C4H2s 0.770 1.880 2.957 23.253 23.300 0.998 [OK] 3585 474 A ARG NE 13 N3H1b 0.700 1.640 2.601 15.864 15.569 1.019 [OK] 3586 474 A ARG CZ 2 C3H0b 0.770 1.610 2.681 10.772 9.747 1.105 [OK] 3587 474 A ARG NH1 15 N3H2u 0.700 1.640 4.097 43.025 22.782 1.889 possible 3588 474 A ARG NH2 15 N3H2u 0.700 1.640 3.356 28.928 23.810 1.215 possible 3589 475 A TYR N 12 N3H1s 0.700 1.640 2.857 15.740 13.691 1.150 [OK] 3590 475 A TYR CA 3 C4H1s 0.770 1.880 3.085 13.281 13.330 0.996 possible 3591 475 A TYR C 1 C3H0s 0.770 1.610 2.465 8.709 8.770 0.993 [OK] 3592 475 A TYR O 16 O1H0u 0.660 1.420 2.702 20.520 16.124 1.273 [OK] 3593 475 A TYR CB 8 C4H2s 0.770 1.880 3.180 28.150 23.678 1.189 possible 3594 475 A TYR CG 2 C3H0b 0.770 1.610 2.776 10.317 9.732 1.060 [OK] 3595 475 A TYR CD1 5 C3H1s 0.770 1.760 2.766 18.631 20.171 0.924 [OK] 3596 475 A TYR CD2 5 C3H1s 0.770 1.760 3.125 21.445 20.728 1.035 possible 3597 475 A TYR CE1 5 C3H1s 0.770 1.760 2.628 18.368 20.675 0.888 [OK] 3598 475 A TYR CE2 5 C3H1s 0.770 1.760 2.811 18.220 20.810 0.876 [OK] 3599 475 A TYR CZ 2 C3H0b 0.770 1.610 2.351 8.976 9.926 0.904 [OK] 3600 475 A TYR OH 17 O2H1u 0.660 1.460 3.061 19.149 19.173 0.999 possible 3601 476 A ILE N 12 N3H1s 0.700 1.640 3.500 17.229 13.633 1.264 possible 3602 476 A ILE CA 3 C4H1s 0.770 1.880 2.768 13.861 13.007 1.066 [OK] 3603 476 A ILE C 1 C3H0s 0.770 1.610 2.536 9.165 8.470 1.082 [OK] 3604 476 A ILE O 16 O1H0u 0.660 1.420 2.536 20.238 16.144 1.254 [OK] 3605 476 A ILE CB 4 C4H1b 0.770 1.880 3.352 13.994 14.227 0.984 possible 3606 476 A ILE CG1 9 C4H2b 0.770 1.880 2.829 22.894 24.187 0.947 [OK] 3607 476 A ILE CG2 10 C4H3u 0.770 1.880 4.141 45.042 35.961 1.253 possible 3608 476 A ILE CD1 10 C4H3u 0.770 1.880 2.992 35.000 38.377 0.912 [OK] 3609 477 A ASP N 12 N3H1s 0.700 1.640 2.944 15.058 13.895 1.084 [OK] 3610 477 A ASP CA 3 C4H1s 0.770 1.880 2.870 12.396 13.377 0.927 [OK] 3611 477 A ASP C 1 C3H0s 0.770 1.610 2.905 9.775 8.816 1.109 [OK] 3612 477 A ASP O 16 O1H0u 0.660 1.420 2.694 16.639 16.091 1.034 [OK] 3613 477 A ASP CB 8 C4H2s 0.770 1.880 3.224 25.905 23.481 1.103 possible 3614 477 A ASP CG 2 C3H0b 0.770 1.610 2.531 9.303 9.422 0.987 [OK] 3615 477 A ASP OD1 16 O1H0u 0.660 1.420 2.597 17.100 15.505 1.103 [OK] 3616 477 A ASP OD2 16 O1H0u 0.660 1.420 3.971 31.194 16.324 1.911 possible 3617 478 A TYR N 12 N3H1s 0.700 1.640 2.524 13.980 13.691 1.021 [OK] 3618 478 A TYR CA 3 C4H1s 0.770 1.880 2.932 12.425 13.330 0.932 [OK] 3619 478 A TYR C 1 C3H0s 0.770 1.610 2.177 8.085 8.770 0.922 [OK] 3620 478 A TYR O 16 O1H0u 0.660 1.420 3.543 21.774 16.124 1.350 possible 3621 478 A TYR CB 8 C4H2s 0.770 1.880 3.247 27.739 23.678 1.172 possible 3622 478 A TYR CG 2 C3H0b 0.770 1.610 2.500 9.680 9.732 0.995 [OK] 3623 478 A TYR CD1 5 C3H1s 0.770 1.760 2.639 17.440 20.171 0.865 [OK] 3624 478 A TYR CD2 5 C3H1s 0.770 1.760 3.049 20.818 20.728 1.004 possible 3625 478 A TYR CE1 5 C3H1s 0.770 1.760 2.683 18.268 20.675 0.884 [OK] 3626 478 A TYR CE2 5 C3H1s 0.770 1.760 2.998 22.007 20.810 1.058 [OK] 3627 478 A TYR CZ 2 C3H0b 0.770 1.610 2.445 9.423 9.926 0.949 [OK] 3628 478 A TYR OH 17 O2H1u 0.660 1.460 2.519 16.468 19.173 0.859 [OK] 3629 479 A PRO N 11 N3H0u 0.700 1.640 2.206 8.220 8.823 0.932 [OK] 3630 479 A PRO CA 4 C4H1b 0.770 1.880 3.576 19.543 13.955 1.400 possible 3631 479 A PRO C 1 C3H0s 0.770 1.610 2.377 7.923 8.812 0.899 [OK] 3632 479 A PRO O 16 O1H0u 0.660 1.420 2.390 14.561 16.169 0.901 [OK] 3633 479 A PRO CB 9 C4H2b 0.770 1.880 3.269 26.598 25.563 1.040 possible 3634 479 A PRO CG 9 C4H2b 0.770 1.880 3.050 24.639 25.832 0.954 possible 3635 479 A PRO CD 8 C4H2s 0.770 1.880 3.249 23.500 23.836 0.986 possible 3636 480 A VAL N 12 N3H1s 0.700 1.640 3.486 19.284 13.676 1.410 possible 3637 480 A VAL CA 3 C4H1s 0.770 1.880 2.814 14.399 13.123 1.097 [OK] 3638 480 A VAL C 1 C3H0s 0.770 1.610 3.287 8.819 8.563 1.030 possible 3639 480 A VAL O 16 O1H0u 0.660 1.420 3.864 21.958 16.181 1.357 possible 3640 480 A VAL CB 4 C4H1b 0.770 1.880 8.759 -1.000 14.598 -1.000 bad 3641 480 A VAL CG1 10 C4H3u 0.770 1.880 42.764 -1.000 36.584 -1.000 bad 3642 480 A VAL CG2 10 C4H3u 0.770 1.880 7.741 61.116 36.332 1.682 possible 3643 481 A GLU N 12 N3H1s 0.700 1.640 3.370 13.115 13.615 0.963 possible 3644 481 A GLU CA 3 C4H1s 0.770 1.880 3.704 14.682 13.399 1.096 possible 3645 481 A GLU C 1 C3H0s 0.770 1.610 2.568 8.863 8.675 1.022 [OK] 3646 481 A GLU O 16 O1H0u 0.660 1.420 3.059 22.344 16.023 1.394 possible 3647 481 A GLU CB 8 C4H2s 0.770 1.880 2.900 21.681 23.529 0.921 [OK] 3648 481 A GLU CG 8 C4H2s 0.770 1.880 4.771 29.653 23.513 1.261 possible 3649 481 A GLU CD 2 C3H0b 0.770 1.610 2.636 9.513 9.460 1.006 [OK] 3650 481 A GLU OE1 16 O1H0u 0.660 1.420 2.503 17.572 15.999 1.098 [OK] 3651 481 A GLU OE2 16 O1H0u 0.660 1.420 4.220 26.623 17.432 1.527 possible 3652 482 A PHE N 12 N3H1s 0.700 1.640 2.584 12.484 13.691 0.912 [OK] 3653 482 A PHE CA 3 C4H1s 0.770 1.880 3.399 14.455 13.449 1.075 possible 3654 482 A PHE C 1 C3H0s 0.770 1.610 3.180 10.098 8.753 1.154 possible 3655 482 A PHE O 16 O1H0u 0.660 1.420 2.842 16.033 16.151 0.993 [OK] 3656 482 A PHE CB 8 C4H2s 0.770 1.880 2.647 20.552 23.777 0.864 [OK] 3657 482 A PHE CG 2 C3H0b 0.770 1.610 2.486 9.153 9.721 0.942 [OK] 3658 482 A PHE CD1 5 C3H1s 0.770 1.760 3.461 23.405 20.405 1.147 possible 3659 482 A PHE CD2 6 C3H1b 0.770 1.760 3.011 20.117 21.051 0.956 possible 3660 482 A PHE CE1 6 C3H1b 0.770 1.760 2.803 16.666 21.580 0.772 [OK] 3661 482 A PHE CE2 6 C3H1b 0.770 1.760 3.166 24.474 21.680 1.129 possible 3662 482 A PHE CZ 6 C3H1b 0.770 1.760 3.127 19.793 21.666 0.914 possible 3663 483 A ALA N 12 N3H1s 0.700 1.640 2.566 13.867 14.046 0.987 [OK] 3664 483 A ALA CA 4 C4H1b 0.770 1.880 2.794 13.530 14.063 0.962 [OK] 3665 483 A ALA C 1 C3H0s 0.770 1.610 4.044 9.194 8.900 1.033 possible 3666 483 A ALA O 16 O1H0u 0.660 1.420 3.882 21.377 16.188 1.321 possible 3667 483 A ALA CB 10 C4H3u 0.770 1.880 19.842 -1.000 36.782 -1.000 bad 3668 484 A TYR N 12 N3H1s 0.700 1.640 4.201 18.276 13.691 1.335 possible 3669 484 A TYR CA 3 C4H1s 0.770 1.880 5.331 20.699 13.330 1.553 possible 3670 484 A TYR C 1 C3H0s 0.770 1.610 2.238 7.769 8.770 0.886 [OK] 3671 484 A TYR O 16 O1H0u 0.660 1.420 2.328 14.221 16.124 0.882 [OK] 3672 484 A TYR CB 8 C4H2s 0.770 1.880 3.347 24.271 23.678 1.025 possible 3673 484 A TYR CG 2 C3H0b 0.770 1.610 2.758 9.816 9.732 1.009 [OK] 3674 484 A TYR CD1 5 C3H1s 0.770 1.760 12.403 -1.000 20.171 -1.000 bad 3675 484 A TYR CD2 5 C3H1s 0.770 1.760 2.745 19.533 20.728 0.942 [OK] 3676 484 A TYR CE1 5 C3H1s 0.770 1.760 20.689 -1.000 20.675 -1.000 bad 3677 484 A TYR CE2 5 C3H1s 0.770 1.760 2.828 19.834 20.810 0.953 [OK] 3678 484 A TYR CZ 2 C3H0b 0.770 1.610 2.692 11.117 9.926 1.120 [OK] 3679 484 A TYR OH 17 O2H1u 0.660 1.460 25.804 -1.000 19.173 -1.000 bad 3680 485 A TRP N 12 N3H1s 0.700 1.640 3.241 16.815 13.791 1.219 possible 3681 485 A TRP CA 3 C4H1s 0.770 1.880 2.540 11.755 13.377 0.879 [OK] 3682 485 A TRP C 1 C3H0s 0.770 1.610 2.637 8.609 8.724 0.987 [OK] 3683 485 A TRP O 16 O1H0u 0.660 1.420 2.668 16.099 15.951 1.009 [OK] 3684 485 A TRP CB 8 C4H2s 0.770 1.880 3.042 22.621 24.004 0.942 possible 3685 485 A TRP CG 2 C3H0b 0.770 1.610 2.513 10.047 9.965 1.008 [OK] 3686 485 A TRP CD1 5 C3H1s 0.770 1.760 3.626 27.623 20.874 1.323 possible 3687 485 A TRP CD2 2 C3H0b 0.770 1.610 2.338 9.281 10.097 0.919 [OK] 3688 485 A TRP NE1 13 N3H1b 0.700 1.640 2.424 16.111 16.969 0.949 [OK] 3689 485 A TRP CE2 2 C3H0b 0.770 1.610 2.466 8.858 9.889 0.896 [OK] 3690 485 A TRP CE3 6 C3H1b 0.770 1.760 2.667 19.066 20.448 0.932 [OK] 3691 485 A TRP CZ2 6 C3H1b 0.770 1.760 2.736 20.548 21.012 0.978 [OK] 3692 485 A TRP CZ3 6 C3H1b 0.770 1.760 4.489 31.673 21.516 1.472 possible 3693 485 A TRP CH2 6 C3H1b 0.770 1.760 3.821 23.501 21.339 1.101 possible 3694 486 A ASN N 12 N3H1s 0.700 1.640 2.525 14.510 13.695 1.060 [OK] 3695 486 A ASN CA 3 C4H1s 0.770 1.880 2.880 13.283 13.167 1.009 [OK] 3696 486 A ASN C 1 C3H0s 0.770 1.610 2.234 8.478 8.928 0.950 [OK] 3697 486 A ASN O 16 O1H0u 0.660 1.420 2.154 13.816 16.199 0.853 [OK] 3698 486 A ASN CB 8 C4H2s 0.770 1.880 2.640 20.784 23.128 0.899 [OK] 3699 486 A ASN CG 2 C3H0b 0.770 1.610 2.432 9.380 9.599 0.977 [OK] 3700 486 A ASN OD1 16 O1H0u 0.660 1.420 2.237 15.780 16.664 0.947 [OK] 3701 486 A ASN ND2 15 N3H2u 0.700 1.640 2.838 26.316 23.083 1.140 [OK] 3702 487 A ASN N 12 N3H1s 0.700 1.640 2.324 12.775 13.695 0.933 [OK] 3703 487 A ASN CA 3 C4H1s 0.770 1.880 2.481 12.598 13.167 0.957 [OK] 3704 487 A ASN C 1 C3H0s 0.770 1.610 2.349 8.247 8.928 0.924 [OK] 3705 487 A ASN O 16 O1H0u 0.660 1.420 2.420 14.691 16.199 0.907 [OK] 3706 487 A ASN CB 8 C4H2s 0.770 1.880 4.903 31.611 23.128 1.367 possible 3707 487 A ASN CG 2 C3H0b 0.770 1.610 3.690 11.294 9.599 1.177 possible 3708 487 A ASN OD1 16 O1H0u 0.660 1.420 5.124 26.099 16.664 1.566 possible 3709 487 A ASN ND2 15 N3H2u 0.700 1.640 27.330 -1.000 23.083 -1.000 bad 3710 488 A ILE N 12 N3H1s 0.700 1.640 2.507 13.507 13.633 0.991 [OK] 3711 488 A ILE CA 3 C4H1s 0.770 1.880 3.268 13.799 13.007 1.061 possible 3712 488 A ILE C 1 C3H0s 0.770 1.610 2.235 7.570 8.470 0.894 [OK] 3713 488 A ILE O 16 O1H0u 0.660 1.420 3.067 17.560 16.144 1.088 possible 3714 488 A ILE CB 4 C4H1b 0.770 1.880 2.726 14.233 14.227 1.000 [OK] 3715 488 A ILE CG1 9 C4H2b 0.770 1.880 3.813 26.029 24.187 1.076 possible 3716 488 A ILE CG2 10 C4H3u 0.770 1.880 4.751 50.356 35.961 1.400 possible 3717 488 A ILE CD1 10 C4H3u 0.770 1.880 35.164 -1.000 38.377 -1.000 bad 3718 489 A SER N 12 N3H1s 0.700 1.640 2.496 13.510 14.103 0.958 [OK] 3719 489 A SER CA 3 C4H1s 0.770 1.880 2.580 12.871 13.476 0.955 [OK] 3720 489 A SER C 1 C3H0s 0.770 1.610 2.182 7.922 8.923 0.888 [OK] 3721 489 A SER O 16 O1H0u 0.660 1.420 2.410 15.680 16.179 0.969 [OK] 3722 489 A SER CB 8 C4H2s 0.770 1.880 3.147 26.650 23.884 1.116 possible 3723 489 A SER OG 17 O2H1u 0.660 1.460 2.668 19.103 18.732 1.020 [OK] 3724 490 A SER N 12 N3H1s 0.700 1.640 2.181 12.115 14.103 0.859 [OK] 3725 490 A SER CA 3 C4H1s 0.770 1.880 2.572 11.908 13.476 0.884 [OK] 3726 490 A SER C 1 C3H0s 0.770 1.610 2.342 8.177 8.923 0.916 [OK] 3727 490 A SER O 16 O1H0u 0.660 1.420 2.301 13.695 16.179 0.846 [OK] 3728 490 A SER CB 8 C4H2s 0.770 1.880 2.867 22.127 23.884 0.926 [OK] 3729 490 A SER OG 17 O2H1u 0.660 1.460 2.229 13.546 18.732 0.723 [OK] 3730 491 A ILE N 12 N3H1s 0.700 1.640 2.684 12.734 13.633 0.934 [OK] 3731 491 A ILE CA 3 C4H1s 0.770 1.880 2.711 12.456 13.007 0.958 [OK] 3732 491 A ILE C 1 C3H0s 0.770 1.610 2.524 7.474 8.470 0.882 [OK] 3733 491 A ILE O 16 O1H0u 0.660 1.420 2.938 15.040 16.144 0.932 [OK] 3734 491 A ILE CB 4 C4H1b 0.770 1.880 3.518 14.908 14.227 1.048 possible 3735 491 A ILE CG1 9 C4H2b 0.770 1.880 6.125 34.684 24.187 1.434 possible 3736 491 A ILE CG2 10 C4H3u 0.770 1.880 28.805 -1.000 35.961 -1.000 bad 3737 491 A ILE CD1 10 C4H3u 0.770 1.880 33.657 -1.000 38.377 -1.000 bad 3738 492 A GLY N 12 N3H1s 0.700 1.640 2.881 13.887 14.854 0.935 [OK] 3739 492 A GLY CA 8 C4H2s 0.770 1.880 2.822 23.913 23.688 1.009 [OK] 3740 492 A GLY C 2 C3H0b 0.770 1.610 2.140 7.824 9.840 0.795 [OK] 3741 492 A GLY O 16 O1H0u 0.660 1.420 2.365 14.701 16.391 0.897 [OK] 3742 493 A ALA N 12 N3H1s 0.700 1.640 2.227 11.182 14.046 0.796 [OK] 3743 493 A ALA CA 4 C4H1b 0.770 1.880 3.283 12.797 14.063 0.910 possible 3744 493 A ALA C 1 C3H0s 0.770 1.610 2.739 8.896 8.900 1.000 [OK] 3745 493 A ALA O 16 O1H0u 0.660 1.420 3.046 21.221 16.188 1.311 possible 3746 493 A ALA CB 10 C4H3u 0.770 1.880 3.228 41.416 36.782 1.126 possible 3747 494 A TYR N 12 N3H1s 0.700 1.640 2.229 11.313 13.691 0.826 [OK] 3748 494 A TYR CA 3 C4H1s 0.770 1.880 3.203 14.811 13.330 1.111 possible 3749 494 A TYR C 1 C3H0s 0.770 1.610 4.562 9.688 8.770 1.105 possible 3750 494 A TYR O 16 O1H0u 0.660 1.420 4.717 22.317 16.124 1.384 possible 3751 494 A TYR CB 8 C4H2s 0.770 1.880 12.659 -1.000 23.678 -1.000 bad 3752 494 A TYR CG 2 C3H0b 0.770 1.610 2.722 9.618 9.732 0.988 [OK] 3753 494 A TYR CD1 5 C3H1s 0.770 1.760 3.021 20.920 20.171 1.037 possible 3754 494 A TYR CD2 5 C3H1s 0.770 1.760 10.535 -1.000 20.728 -1.000 bad 3755 494 A TYR CE1 5 C3H1s 0.770 1.760 2.979 24.152 20.675 1.168 [OK] 3756 494 A TYR CE2 5 C3H1s 0.770 1.760 4.618 25.963 20.810 1.248 possible 3757 494 A TYR CZ 2 C3H0b 0.770 1.610 2.457 9.859 9.926 0.993 [OK] 3758 494 A TYR OH 17 O2H1u 0.660 1.460 2.750 19.350 19.173 1.009 [OK] 3759 495 A ILE N 12 N3H1s 0.700 1.640 4.459 14.599 13.633 1.071 possible 3760 495 A ILE CA 3 C4H1s 0.770 1.880 5.216 22.160 13.007 1.704 possible 3761 495 A ILE C 1 C3H0s 0.770 1.610 2.631 7.689 8.470 0.908 [OK] 3762 495 A ILE O 16 O1H0u 0.660 1.420 3.419 19.667 16.144 1.218 possible 3763 495 A ILE CB 4 C4H1b 0.770 1.880 2.746 13.265 14.227 0.932 [OK] 3764 495 A ILE CG1 9 C4H2b 0.770 1.880 19.483 -1.000 24.187 -1.000 bad 3765 495 A ILE CG2 10 C4H3u 0.770 1.880 5.591 58.392 35.961 1.624 possible 3766 495 A ILE CD1 10 C4H3u 0.770 1.880 23.553 -1.000 38.377 -1.000 bad 3767 496 A SER N 12 N3H1s 0.700 1.640 2.696 13.558 14.103 0.961 [OK] 3768 496 A SER CA 3 C4H1s 0.770 1.880 3.115 17.037 13.476 1.264 possible 3769 496 A SER C 1 C3H0s 0.770 1.610 2.432 8.293 8.923 0.929 [OK] 3770 496 A SER O 16 O1H0u 0.660 1.420 2.357 14.971 16.179 0.925 [OK] 3771 496 A SER CB 8 C4H2s 0.770 1.880 3.404 26.667 23.884 1.117 possible 3772 496 A SER OG 17 O2H1u 0.660 1.460 2.618 20.794 18.732 1.110 [OK] 3773 497 A PHE N 12 N3H1s 0.700 1.640 3.330 15.168 13.691 1.108 possible 3774 497 A PHE CA 3 C4H1s 0.770 1.880 3.552 16.132 13.449 1.199 possible 3775 497 A PHE C 1 C3H0s 0.770 1.610 2.461 8.098 8.753 0.925 [OK] 3776 497 A PHE O 16 O1H0u 0.660 1.420 2.584 15.097 16.151 0.935 [OK] 3777 497 A PHE CB 8 C4H2s 0.770 1.880 3.586 25.840 23.777 1.087 possible 3778 497 A PHE CG 2 C3H0b 0.770 1.610 2.607 9.289 9.721 0.956 [OK] 3779 497 A PHE CD1 5 C3H1s 0.770 1.760 2.898 20.480 20.405 1.004 [OK] 3780 497 A PHE CD2 6 C3H1b 0.770 1.760 3.044 23.045 21.051 1.095 possible 3781 497 A PHE CE1 6 C3H1b 0.770 1.760 3.144 23.503 21.580 1.089 possible 3782 497 A PHE CE2 6 C3H1b 0.770 1.760 9.958 -1.000 21.680 -1.000 bad 3783 497 A PHE CZ 6 C3H1b 0.770 1.760 12.478 -1.000 21.666 -1.000 bad 3784 498 A ALA N 12 N3H1s 0.700 1.640 2.579 14.088 14.046 1.003 [OK] 3785 498 A ALA CA 4 C4H1b 0.770 1.880 3.582 17.032 14.063 1.211 possible 3786 498 A ALA C 1 C3H0s 0.770 1.610 2.855 8.735 8.900 0.981 [OK] 3787 498 A ALA O 16 O1H0u 0.660 1.420 4.380 24.784 16.188 1.531 possible 3788 498 A ALA CB 10 C4H3u 0.770 1.880 28.474 -1.000 36.782 -1.000 bad 3789 499 A SER N 12 N3H1s 0.700 1.640 2.748 13.939 14.103 0.988 [OK] 3790 499 A SER CA 3 C4H1s 0.770 1.880 3.034 15.529 13.476 1.152 possible 3791 499 A SER C 1 C3H0s 0.770 1.610 2.517 8.041 8.923 0.901 [OK] 3792 499 A SER O 16 O1H0u 0.660 1.420 2.521 14.586 16.179 0.902 [OK] 3793 499 A SER CB 8 C4H2s 0.770 1.880 3.103 27.234 23.884 1.140 possible 3794 499 A SER OG 17 O2H1u 0.660 1.460 2.942 22.836 18.732 1.219 [OK] 3795 500 A PHE N 12 N3H1s 0.700 1.640 2.695 12.537 13.691 0.916 [OK] 3796 500 A PHE CA 3 C4H1s 0.770 1.880 3.400 14.307 13.449 1.064 possible 3797 500 A PHE C 1 C3H0s 0.770 1.610 2.548 8.664 8.753 0.990 [OK] 3798 500 A PHE O 16 O1H0u 0.660 1.420 2.565 14.818 16.151 0.917 [OK] 3799 500 A PHE CB 8 C4H2s 0.770 1.880 3.356 25.233 23.777 1.061 possible 3800 500 A PHE CG 2 C3H0b 0.770 1.610 2.599 9.842 9.721 1.012 [OK] 3801 500 A PHE CD1 5 C3H1s 0.770 1.760 3.416 21.361 20.405 1.047 possible 3802 500 A PHE CD2 6 C3H1b 0.770 1.760 2.961 24.583 21.051 1.168 [OK] 3803 500 A PHE CE1 6 C3H1b 0.770 1.760 2.773 20.402 21.580 0.945 [OK] 3804 500 A PHE CE2 6 C3H1b 0.770 1.760 2.995 23.338 21.680 1.076 [OK] 3805 500 A PHE CZ 6 C3H1b 0.770 1.760 3.081 26.923 21.666 1.243 possible 3806 501 A LEU N 12 N3H1s 0.700 1.640 2.563 12.518 13.655 0.917 [OK] 3807 501 A LEU CA 3 C4H1s 0.770 1.880 3.893 14.645 13.122 1.116 possible 3808 501 A LEU C 1 C3H0s 0.770 1.610 2.616 8.654 8.825 0.981 [OK] 3809 501 A LEU O 16 O1H0u 0.660 1.420 4.950 23.722 16.208 1.464 possible 3810 501 A LEU CB 8 C4H2s 0.770 1.880 6.349 40.209 22.951 1.752 possible 3811 501 A LEU CG 4 C4H1b 0.770 1.880 2.679 14.112 14.764 0.956 [OK] 3812 501 A LEU CD1 10 C4H3u 0.770 1.880 28.558 -1.000 37.425 -1.000 bad 3813 501 A LEU CD2 10 C4H3u 0.770 1.880 13.818 -1.000 37.143 -1.000 bad 3814 502 A PHE N 12 N3H1s 0.700 1.640 3.056 13.625 13.691 0.995 possible 3815 502 A PHE CA 3 C4H1s 0.770 1.880 3.186 14.464 13.449 1.076 possible 3816 502 A PHE C 1 C3H0s 0.770 1.610 2.232 7.895 8.753 0.902 [OK] 3817 502 A PHE O 16 O1H0u 0.660 1.420 2.307 14.759 16.151 0.914 [OK] 3818 502 A PHE CB 8 C4H2s 0.770 1.880 4.950 29.010 23.777 1.220 possible 3819 502 A PHE CG 2 C3H0b 0.770 1.610 3.390 11.218 9.721 1.154 possible 3820 502 A PHE CD1 5 C3H1s 0.770 1.760 5.658 35.098 20.405 1.720 possible 3821 502 A PHE CD2 6 C3H1b 0.770 1.760 2.975 23.601 21.051 1.121 [OK] 3822 502 A PHE CE1 6 C3H1b 0.770 1.760 6.455 43.817 21.580 2.030 possible 3823 502 A PHE CE2 6 C3H1b 0.770 1.760 2.844 17.482 21.680 0.806 [OK] 3824 502 A PHE CZ 6 C3H1b 0.770 1.760 2.850 19.894 21.666 0.918 [OK] 3825 503 A PHE N 12 N3H1s 0.700 1.640 2.542 12.664 13.691 0.925 [OK] 3826 503 A PHE CA 3 C4H1s 0.770 1.880 2.830 14.218 13.449 1.057 [OK] 3827 503 A PHE C 1 C3H0s 0.770 1.610 2.216 7.484 8.753 0.855 [OK] 3828 503 A PHE O 16 O1H0u 0.660 1.420 2.551 14.280 16.151 0.884 [OK] 3829 503 A PHE CB 8 C4H2s 0.770 1.880 2.861 20.018 23.777 0.842 [OK] 3830 503 A PHE CG 2 C3H0b 0.770 1.610 2.612 8.794 9.721 0.905 [OK] 3831 503 A PHE CD1 5 C3H1s 0.770 1.760 2.925 19.827 20.405 0.972 [OK] 3832 503 A PHE CD2 6 C3H1b 0.770 1.760 2.718 19.970 21.051 0.949 [OK] 3833 503 A PHE CE1 6 C3H1b 0.770 1.760 3.604 24.270 21.580 1.125 possible 3834 503 A PHE CE2 6 C3H1b 0.770 1.760 2.964 22.341 21.680 1.030 [OK] 3835 503 A PHE CZ 6 C3H1b 0.770 1.760 3.082 23.426 21.666 1.081 possible 3836 504 A ILE N 12 N3H1s 0.700 1.640 2.330 11.999 13.633 0.880 [OK] 3837 504 A ILE CA 3 C4H1s 0.770 1.880 3.227 15.099 13.007 1.161 possible 3838 504 A ILE C 1 C3H0s 0.770 1.610 2.716 7.640 8.470 0.902 [OK] 3839 504 A ILE O 16 O1H0u 0.660 1.420 2.924 16.643 16.144 1.031 [OK] 3840 504 A ILE CB 4 C4H1b 0.770 1.880 4.000 16.257 14.227 1.143 possible 3841 504 A ILE CG1 9 C4H2b 0.770 1.880 3.701 28.805 24.187 1.191 possible 3842 504 A ILE CG2 10 C4H3u 0.770 1.880 24.883 -1.000 35.961 -1.000 bad 3843 504 A ILE CD1 10 C4H3u 0.770 1.880 3.805 55.494 38.377 1.446 possible 3844 505 A GLY N 12 N3H1s 0.700 1.640 4.452 16.167 14.854 1.088 possible 3845 505 A GLY CA 8 C4H2s 0.770 1.880 7.970 66.106 23.688 2.791 possible 3846 505 A GLY C 2 C3H0b 0.770 1.610 2.120 7.969 9.840 0.810 [OK] 3847 505 A GLY O 16 O1H0u 0.660 1.420 6.204 24.474 16.391 1.493 possible 3848 506 A ILE N 12 N3H1s 0.700 1.640 2.277 11.732 13.633 0.861 [OK] 3849 506 A ILE CA 3 C4H1s 0.770 1.880 3.135 14.483 13.007 1.113 possible 3850 506 A ILE C 1 C3H0s 0.770 1.610 2.613 7.705 8.470 0.910 [OK] 3851 506 A ILE O 16 O1H0u 0.660 1.420 2.677 15.908 16.144 0.985 [OK] 3852 506 A ILE CB 4 C4H1b 0.770 1.880 2.778 13.104 14.227 0.921 [OK] 3853 506 A ILE CG1 9 C4H2b 0.770 1.880 2.957 22.350 24.187 0.924 [OK] 3854 506 A ILE CG2 10 C4H3u 0.770 1.880 3.766 46.305 35.961 1.288 possible 3855 506 A ILE CD1 10 C4H3u 0.770 1.880 2.765 30.675 38.377 0.799 [OK] 3856 507 A VAL N 12 N3H1s 0.700 1.640 2.844 13.159 13.676 0.962 [OK] 3857 507 A VAL CA 3 C4H1s 0.770 1.880 3.374 15.490 13.123 1.180 possible 3858 507 A VAL C 1 C3H0s 0.770 1.610 2.397 7.399 8.563 0.864 [OK] 3859 507 A VAL O 16 O1H0u 0.660 1.420 2.477 15.261 16.181 0.943 [OK] 3860 507 A VAL CB 4 C4H1b 0.770 1.880 3.435 15.843 14.598 1.085 possible 3861 507 A VAL CG1 10 C4H3u 0.770 1.880 3.428 42.517 36.584 1.162 possible 3862 507 A VAL CG2 10 C4H3u 0.770 1.880 3.824 44.390 36.332 1.222 possible 3863 508 A PHE N 12 N3H1s 0.700 1.640 2.617 13.821 13.691 1.009 [OK] 3864 508 A PHE CA 3 C4H1s 0.770 1.880 2.761 12.445 13.449 0.925 [OK] 3865 508 A PHE C 1 C3H0s 0.770 1.610 4.270 9.522 8.753 1.088 possible 3866 508 A PHE O 16 O1H0u 0.660 1.420 3.782 18.148 16.151 1.124 possible 3867 508 A PHE CB 8 C4H2s 0.770 1.880 17.109 -1.000 23.777 -1.000 bad 3868 508 A PHE CG 2 C3H0b 0.770 1.610 5.040 15.393 9.721 1.583 possible 3869 508 A PHE CD1 5 C3H1s 0.770 1.760 4.421 27.291 20.405 1.337 possible 3870 508 A PHE CD2 6 C3H1b 0.770 1.760 14.856 -1.000 21.051 -1.000 bad 3871 508 A PHE CE1 6 C3H1b 0.770 1.760 13.335 -1.000 21.580 -1.000 bad 3872 508 A PHE CE2 6 C3H1b 0.770 1.760 20.651 -1.000 21.680 -1.000 bad 3873 508 A PHE CZ 6 C3H1b 0.770 1.760 21.763 -1.000 21.666 -1.000 bad 3874 509 A TYR N 12 N3H1s 0.700 1.640 6.113 19.404 13.691 1.417 possible 3875 509 A TYR CA 3 C4H1s 0.770 1.880 7.690 32.847 13.330 2.464 possible 3876 509 A TYR C 1 C3H0s 0.770 1.610 1.992 7.134 8.770 0.813 [OK] 3877 509 A TYR O 16 O1H0u 0.660 1.420 2.940 14.577 16.124 0.904 [OK] 3878 509 A TYR CB 8 C4H2s 0.770 1.880 7.616 37.602 23.678 1.588 possible 3879 509 A TYR CG 2 C3H0b 0.770 1.610 2.590 9.616 9.732 0.988 [OK] 3880 509 A TYR CD1 5 C3H1s 0.770 1.760 2.988 20.545 20.171 1.019 [OK] 3881 509 A TYR CD2 5 C3H1s 0.770 1.760 16.040 -1.000 20.728 -1.000 bad 3882 509 A TYR CE1 5 C3H1s 0.770 1.760 3.218 25.012 20.675 1.210 possible 3883 509 A TYR CE2 5 C3H1s 0.770 1.760 13.497 -1.000 20.810 -1.000 bad 3884 509 A TYR CZ 2 C3H0b 0.770 1.610 2.610 10.117 9.926 1.019 [OK] 3885 509 A TYR OH 17 O2H1u 0.660 1.460 17.811 -1.000 19.173 -1.000 bad 3886 510 A THR N 12 N3H1s 0.700 1.640 2.567 12.525 13.832 0.905 [OK] 3887 510 A THR CA 3 C4H1s 0.770 1.880 2.926 13.568 13.099 1.036 [OK] 3888 510 A THR C 1 C3H0s 0.770 1.610 2.582 7.648 8.738 0.875 [OK] 3889 510 A THR O 16 O1H0u 0.660 1.420 2.397 13.889 16.020 0.867 [OK] 3890 510 A THR CB 4 C4H1b 0.770 1.880 2.783 13.659 14.829 0.921 [OK] 3891 510 A THR OG1 17 O2H1u 0.660 1.460 2.800 19.084 18.123 1.053 [OK] 3892 510 A THR CG2 10 C4H3u 0.770 1.880 2.928 33.456 36.542 0.916 [OK] 3893 511 A LEU N 12 N3H1s 0.700 1.640 2.621 12.888 13.655 0.944 [OK] 3894 511 A LEU CA 3 C4H1s 0.770 1.880 2.896 12.701 13.122 0.968 [OK] 3895 511 A LEU C 1 C3H0s 0.770 1.610 2.601 8.937 8.825 1.013 [OK] 3896 511 A LEU O 16 O1H0u 0.660 1.420 4.793 35.735 16.208 2.205 possible 3897 511 A LEU CB 8 C4H2s 0.770 1.880 4.115 30.163 22.951 1.314 possible 3898 511 A LEU CG 4 C4H1b 0.770 1.880 3.047 15.810 14.764 1.071 possible 3899 511 A LEU CD1 10 C4H3u 0.770 1.880 5.322 53.737 37.425 1.436 possible 3900 511 A LEU CD2 10 C4H3u 0.770 1.880 4.101 39.479 37.143 1.063 possible 3901 512 A PHE N 12 N3H1s 0.700 1.640 2.585 12.733 13.691 0.930 [OK] 3902 512 A PHE CA 3 C4H1s 0.770 1.880 3.478 13.432 13.449 0.999 possible 3903 512 A PHE C 1 C3H0s 0.770 1.610 3.033 10.127 8.753 1.157 possible 3904 512 A PHE O 16 O1H0u 0.660 1.420 23.689 -1.000 16.151 -1.000 bad 3905 512 A PHE CB 8 C4H2s 0.770 1.880 21.038 -1.000 23.777 -1.000 bad 3906 512 A PHE CG 2 C3H0b 0.770 1.610 0.556 -1.000 9.721 -1.000 bad 3907 512 A PHE CD1 5 C3H1s 0.770 1.760 14.162 -1.000 20.405 -1.000 bad 3908 512 A PHE CD2 6 C3H1b 0.770 1.760 17.917 -1.000 21.051 -1.000 bad 3909 512 A PHE CE1 6 C3H1b 0.770 1.760 30.284 -1.000 21.580 -1.000 bad 3910 512 A PHE CE2 6 C3H1b 0.770 1.760 24.721 -1.000 21.680 -1.000 bad 3911 512 A PHE CZ 6 C3H1b 0.770 1.760 32.228 -1.000 21.666 -1.000 bad 3912 513 A ALA N 12 N3H1s 0.700 1.640 3.023 13.226 14.046 0.942 possible 3913 513 A ALA CA 4 C4H1b 0.770 1.880 5.625 19.327 14.063 1.374 possible 3914 513 A ALA C 1 C3H0s 0.770 1.610 2.487 9.390 8.900 1.055 [OK] 3915 513 A ALA O 16 O1H0u 0.660 1.420 14.521 -1.000 16.188 -1.000 bad 3916 513 A ALA CB 10 C4H3u 0.770 1.880 34.610 -1.000 36.782 -1.000 bad 3917 514 A GLY N 12 N3H1s 0.700 1.640 2.507 13.313 14.854 0.896 [OK] 3918 514 A GLY CA 8 C4H2s 0.770 1.880 2.930 22.996 23.688 0.971 [OK] 3919 514 A GLY C 2 C3H0b 0.770 1.610 2.551 8.908 9.840 0.905 [OK] 3920 514 A GLY O 16 O1H0u 0.660 1.420 3.913 18.664 16.391 1.139 possible 3921 515 A LYS N 12 N3H1s 0.700 1.640 3.538 17.964 13.675 1.314 possible 3922 515 A LYS CA 3 C4H1s 0.770 1.880 3.974 14.847 13.324 1.114 possible 3923 515 A LYS C 1 C3H0s 0.770 1.610 2.382 8.296 8.759 0.947 [OK] 3924 515 A LYS O 16 O1H0u 0.660 1.420 2.311 14.585 16.049 0.909 [OK] 3925 515 A LYS CB 8 C4H2s 0.770 1.880 6.580 45.927 22.904 2.005 possible 3926 515 A LYS CG 8 C4H2s 0.770 1.880 16.604 -1.000 23.131 -1.000 bad 3927 515 A LYS CD 8 C4H2s 0.770 1.880 6.964 97.658 23.837 4.097 possible 3928 515 A LYS CE 9 C4H2b 0.770 1.880 43.143 -1.000 23.934 -1.000 bad 3929 515 A LYS NZ 14 N4H3u 0.700 1.640 53.587 -1.000 21.213 -1.000 bad 3930 516 A ARG N 12 N3H1s 0.700 1.640 4.716 24.497 13.650 1.795 possible 3931 516 A ARG CA 3 C4H1s 0.770 1.880 2.575 12.600 13.422 0.939 [OK] 3932 516 A ARG C 1 C3H0s 0.770 1.610 2.644 8.719 8.838 0.986 [OK] 3933 516 A ARG O 16 O1H0u 0.660 1.420 6.308 61.705 16.084 3.836 possible 3934 516 A ARG CB 8 C4H2s 0.770 1.880 20.855 -1.000 23.088 -1.000 bad 3935 516 A ARG CG 8 C4H2s 0.770 1.880 23.811 -1.000 23.640 -1.000 bad 3936 516 A ARG CD 8 C4H2s 0.770 1.880 9.966 -1.000 23.300 -1.000 bad 3937 516 A ARG NE 13 N3H1b 0.700 1.640 9.171 -1.000 15.569 -1.000 bad 3938 516 A ARG CZ 2 C3H0b 0.770 1.610 1.925 -1.000 9.747 -1.000 bad 3939 516 A ARG NH1 15 N3H2u 0.700 1.640 6.290 41.799 22.782 1.835 possible 3940 516 A ARG NH2 15 N3H2u 0.700 1.640 22.294 -1.000 23.810 -1.000 bad 3941 517 A VAL N 12 N3H1s 0.700 1.640 2.508 13.560 13.676 0.992 [OK] 3942 517 A VAL CA 3 C4H1s 0.770 1.880 3.785 17.005 13.123 1.296 possible 3943 517 A VAL C 1 C3H0s 0.770 1.610 2.359 8.832 8.563 1.031 [OK] 3944 517 A VAL O 16 O1H0u 0.660 1.420 2.680 16.599 16.181 1.026 [OK] 3945 517 A VAL CB 4 C4H1b 0.770 1.880 3.287 17.918 14.598 1.227 possible 3946 517 A VAL CG1 10 C4H3u 0.770 1.880 4.516 37.118 36.584 1.015 possible 3947 517 A VAL CG2 10 C4H3u 0.770 1.880 7.545 81.981 36.332 2.256 possible 3948 518 A ASN N 12 N3H1s 0.700 1.640 3.047 14.566 13.695 1.064 possible 3949 518 A ASN CA 3 C4H1s 0.770 1.880 2.877 12.978 13.167 0.986 [OK] 3950 518 A ASN C 1 C3H0s 0.770 1.610 2.946 9.287 8.928 1.040 [OK] 3951 518 A ASN O 16 O1H0u 0.660 1.420 5.660 33.001 16.199 2.037 possible 3952 518 A ASN CB 8 C4H2s 0.770 1.880 18.018 -1.000 23.128 -1.000 bad 3953 518 A ASN CG 2 C3H0b 0.770 1.610 2.614 -1.000 9.599 -1.000 bad 3954 518 A ASN OD1 16 O1H0u 0.660 1.420 31.165 -1.000 16.664 -1.000 bad 3955 518 A ASN ND2 15 N3H2u 0.700 1.640 29.154 -1.000 23.083 -1.000 bad 3956 519 A VAL N 12 N3H1s 0.700 1.640 2.965 13.644 13.676 0.998 [OK] 3957 519 A VAL CA 3 C4H1s 0.770 1.880 5.022 19.179 13.123 1.461 possible 3958 519 A VAL C 1 C3H0s 0.770 1.610 2.228 7.943 8.563 0.928 [OK] 3959 519 A VAL O 16 O1H0u 0.660 1.420 2.606 17.001 16.181 1.051 [OK] 3960 519 A VAL CB 4 C4H1b 0.770 1.880 8.822 -1.000 14.598 -1.000 bad 3961 519 A VAL CG1 10 C4H3u 0.770 1.880 44.571 -1.000 36.584 -1.000 bad 3962 519 A VAL CG2 10 C4H3u 0.770 1.880 5.746 44.334 36.332 1.220 possible 3963 520 A PRO N 11 N3H0u 0.700 1.640 2.549 8.595 8.823 0.974 [OK] 3964 520 A PRO CA 4 C4H1b 0.770 1.880 2.600 12.582 13.955 0.902 [OK] 3965 520 A PRO C 1 C3H0s 0.770 1.610 2.785 9.514 8.812 1.080 [OK] 3966 520 A PRO O 16 O1H0u 0.660 1.420 2.567 14.009 16.169 0.866 [OK] 3967 520 A PRO CB 9 C4H2b 0.770 1.880 4.022 22.620 25.563 0.885 possible 3968 520 A PRO CG 9 C4H2b 0.770 1.880 32.644 -1.000 25.832 -1.000 bad 3969 520 A PRO CD 8 C4H2s 0.770 1.880 22.925 -1.000 23.836 -1.000 bad 3970 521 A ASN N 12 N3H1s 0.700 1.640 3.365 16.430 13.695 1.200 possible 3971 521 A ASN CA 3 C4H1s 0.770 1.880 2.930 13.365 13.167 1.015 [OK] 3972 521 A ASN C 1 C3H0s 0.770 1.610 2.335 8.002 8.928 0.896 [OK] 3973 521 A ASN O 16 O1H0u 0.660 1.420 20.547 -1.000 16.199 -1.000 bad 3974 521 A ASN CB 8 C4H2s 0.770 1.880 13.682 -1.000 23.128 -1.000 bad 3975 521 A ASN CG 2 C3H0b 0.770 1.610 4.974 13.784 9.599 1.436 possible 3976 521 A ASN OD1 16 O1H0u 0.660 1.420 3.419 19.003 16.664 1.140 possible 3977 521 A ASN ND2 15 N3H2u 0.700 1.640 7.192 64.646 23.083 2.801 possible 3978 522 A TYR N 12 N3H1s 0.700 1.640 2.643 13.978 13.691 1.021 [OK] 3979 522 A TYR CA 3 C4H1s 0.770 1.880 6.539 25.521 13.330 1.915 possible 3980 522 A TYR C 1 C3H0s 0.770 1.610 4.123 12.067 8.770 1.376 possible 3981 522 A TYR O 16 O1H0u 0.660 1.420 21.180 -1.000 16.124 -1.000 bad 3982 522 A TYR CB 8 C4H2s 0.770 1.880 6.767 43.115 23.678 1.821 possible 3983 522 A TYR CG 2 C3H0b 0.770 1.610 2.906 10.140 9.732 1.042 [OK] 3984 522 A TYR CD1 5 C3H1s 0.770 1.760 2.999 22.842 20.171 1.132 [OK] 3985 522 A TYR CD2 5 C3H1s 0.770 1.760 3.610 25.620 20.728 1.236 possible 3986 522 A TYR CE1 5 C3H1s 0.770 1.760 2.964 20.635 20.675 0.998 [OK] 3987 522 A TYR CE2 5 C3H1s 0.770 1.760 3.027 18.125 20.810 0.871 possible 3988 522 A TYR CZ 2 C3H0b 0.770 1.610 2.781 9.919 9.926 0.999 [OK] 3989 522 A TYR OH 17 O2H1u 0.660 1.460 2.323 16.225 19.173 0.846 [OK] 3990 523 A TRP N 12 N3H1s 0.700 1.640 3.210 15.581 13.791 1.130 possible 3991 523 A TRP CA 3 C4H1s 0.770 1.880 3.165 13.260 13.377 0.991 possible 3992 523 A TRP C 1 C3H0s 0.770 1.610 3.613 11.673 8.724 1.338 possible 3993 523 A TRP O 16 O1H0u 0.660 1.420 23.666 -1.000 15.951 -1.000 bad 3994 523 A TRP CB 8 C4H2s 0.770 1.880 3.416 25.525 24.004 1.063 possible 3995 523 A TRP CG 2 C3H0b 0.770 1.610 2.606 11.186 9.965 1.123 [OK] 3996 523 A TRP CD1 5 C3H1s 0.770 1.760 2.775 21.607 20.874 1.035 [OK] 3997 523 A TRP CD2 2 C3H0b 0.770 1.610 2.595 10.109 10.097 1.001 [OK] 3998 523 A TRP NE1 13 N3H1b 0.700 1.640 2.553 15.402 16.969 0.908 [OK] 3999 523 A TRP CE2 2 C3H0b 0.770 1.610 2.479 9.697 9.889 0.981 [OK] 4000 523 A TRP CE3 6 C3H1b 0.770 1.760 3.699 26.841 20.448 1.313 possible 4001 523 A TRP CZ2 6 C3H1b 0.770 1.760 2.653 19.198 21.012 0.914 [OK] 4002 523 A TRP CZ3 6 C3H1b 0.770 1.760 4.046 31.573 21.516 1.467 possible 4003 523 A TRP CH2 6 C3H1b 0.770 1.760 3.299 21.458 21.339 1.006 possible 4004 524 A ASN N 12 N3H1s 0.700 1.640 3.597 15.698 13.695 1.146 possible 4005 524 A ASN CA 3 C4H1s 0.770 1.880 7.240 35.791 13.167 2.718 possible 4006 524 A ASN C 1 C3H0s 0.770 1.610 4.550 11.685 8.928 1.309 possible 4007 524 A ASN O 16 O1H0u 0.660 1.420 2.550 15.353 16.199 0.948 [OK] 4008 524 A ASN CB 8 C4H2s 0.770 1.880 5.618 37.706 23.128 1.630 possible 4009 524 A ASN CG 2 C3H0b 0.770 1.610 2.850 10.355 9.599 1.079 [OK] 4010 524 A ASN OD1 16 O1H0u 0.660 1.420 2.669 16.991 16.664 1.020 [OK] 4011 524 A ASN ND2 15 N3H2u 0.700 1.640 3.515 34.839 23.083 1.509 possible 4012 525 A GLU N 12 N3H1s 0.700 1.640 7.265 33.430 13.615 2.455 possible 4013 525 A GLU CA 3 C4H1s 0.770 1.880 6.492 32.610 13.399 2.434 possible 4014 525 A GLU C 1 C3H0s 0.770 1.610 2.688 9.008 8.675 1.038 [OK] 4015 525 A GLU O 16 O1H0u 0.660 1.420 18.860 -1.000 16.023 -1.000 bad 4016 525 A GLU CB 8 C4H2s 0.770 1.880 32.105 -1.000 23.529 -1.000 bad 4017 525 A GLU CG 8 C4H2s 0.770 1.880 6.844 49.349 23.513 2.099 possible 4018 525 A GLU CD 2 C3H0b 0.770 1.610 6.551 14.029 9.460 1.483 possible 4019 525 A GLU OE1 16 O1H0u 0.660 1.420 15.381 -1.000 15.999 -1.000 bad 4020 525 A GLU OE2 16 O1H0u 0.660 1.420 38.273 -1.000 17.432 -1.000 bad 4021 526 A HIS N 12 N3H1s 0.700 1.640 2.663 12.150 13.715 0.886 [OK] 4022 526 A HIS CA 3 C4H1s 0.770 1.880 3.350 14.750 13.467 1.095 possible 4023 526 A HIS C 1 C3H0s 0.770 1.610 2.430 9.293 8.882 1.046 [OK] 4024 526 A HIS O 16 O1H0u 0.660 1.420 3.260 22.164 16.082 1.378 possible 4025 526 A HIS CB 8 C4H2s 0.770 1.880 3.350 24.703 23.653 1.044 possible 4026 526 A HIS CG 2 C3H0b 0.770 1.610 2.979 9.668 9.952 0.972 [OK] 4027 526 A HIS ND1 13 N3H1b 0.700 1.640 3.122 17.914 15.506 1.155 possible 4028 526 A HIS CD2 5 C3H1s 0.770 1.760 4.919 39.921 21.085 1.893 possible 4029 526 A HIS CE1 5 C3H1s 0.770 1.760 3.870 34.759 20.636 1.684 possible 4030 526 A HIS NE2 13 N3H1b 0.700 1.640 5.796 42.990 15.337 2.803 possible 4031 527 A ALA N 12 N3H1s 0.700 1.640 2.524 13.400 14.046 0.954 [OK] 4032 527 A ALA CA 4 C4H1b 0.770 1.880 3.435 16.545 14.063 1.176 possible 4033 527 A ALA C 1 C3H0s 0.770 1.610 2.802 8.913 8.900 1.001 [OK] 4034 527 A ALA O 16 O1H0u 0.660 1.420 5.428 27.445 16.188 1.695 possible 4035 527 A ALA CB 10 C4H3u 0.770 1.880 2.898 35.442 36.782 0.964 [OK] 4036 528 A ASP N 12 N3H1s 0.700 1.640 3.666 16.222 13.895 1.167 possible 4037 528 A ASP CA 3 C4H1s 0.770 1.880 6.177 26.917 13.377 2.012 possible 4038 528 A ASP C 1 C3H0s 0.770 1.610 4.442 14.316 8.816 1.624 possible 4039 528 A ASP O 16 O1H0u 0.660 1.420 20.632 -1.000 16.091 -1.000 bad 4040 528 A ASP CB 8 C4H2s 0.770 1.880 23.251 -1.000 23.481 -1.000 bad 4041 528 A ASP CG 2 C3H0b 0.770 1.610 3.663 11.631 9.422 1.234 possible 4042 528 A ASP OD1 16 O1H0u 0.660 1.420 4.287 40.178 15.505 2.591 possible 4043 528 A ASP OD2 16 O1H0u 0.660 1.420 42.643 -1.000 16.324 -1.000 bad 4044 529 A THR N 12 N3H1s 0.700 1.640 3.016 15.132 13.832 1.094 possible 4045 529 A THR CA 3 C4H1s 0.770 1.880 4.140 14.584 13.099 1.113 possible 4046 529 A THR C 1 C3H0s 0.770 1.610 3.767 11.480 8.738 1.314 possible 4047 529 A THR O 16 O1H0u 0.660 1.420 3.599 18.525 16.020 1.156 possible 4048 529 A THR CB 4 C4H1b 0.770 1.880 3.141 15.393 14.829 1.038 possible 4049 529 A THR OG1 17 O2H1u 0.660 1.460 3.640 25.801 18.123 1.424 possible 4050 529 A THR CG2 10 C4H3u 0.770 1.880 5.049 61.641 36.542 1.687 possible 4051 530 A LEU N 12 N3H1s 0.700 1.640 4.083 24.859 13.655 1.821 possible 4052 530 A LEU CA 3 C4H1s 0.770 1.880 3.163 12.627 13.122 0.962 possible 4053 530 A LEU C 1 C3H0s 0.770 1.610 2.760 8.792 8.825 0.996 [OK] 4054 530 A LEU O 16 O1H0u 0.660 1.420 2.550 15.267 16.208 0.942 [OK] 4055 530 A LEU CB 8 C4H2s 0.770 1.880 3.033 23.681 22.951 1.032 possible 4056 530 A LEU CG 4 C4H1b 0.770 1.880 5.444 27.123 14.764 1.837 possible 4057 530 A LEU CD1 10 C4H3u 0.770 1.880 5.404 58.915 37.425 1.574 possible 4058 530 A LEU CD2 10 C4H3u 0.770 1.880 33.281 -1.000 37.143 -1.000 bad 4059 531 A GLU N 12 N3H1s 0.700 1.640 2.718 14.992 13.615 1.101 [OK] 4060 531 A GLU CA 3 C4H1s 0.770 1.880 3.091 14.823 13.399 1.106 possible 4061 531 A GLU C 1 C3H0s 0.770 1.610 2.338 8.326 8.675 0.960 [OK] 4062 531 A GLU O 16 O1H0u 0.660 1.420 2.647 16.282 16.023 1.016 [OK] 4063 531 A GLU CB 8 C4H2s 0.770 1.880 3.067 23.651 23.529 1.005 possible 4064 531 A GLU CG 8 C4H2s 0.770 1.880 2.815 23.237 23.513 0.988 [OK] 4065 531 A GLU CD 2 C3H0b 0.770 1.610 2.305 9.514 9.460 1.006 [OK] 4066 531 A GLU OE1 16 O1H0u 0.660 1.420 2.516 15.604 15.999 0.975 [OK] 4067 531 A GLU OE2 16 O1H0u 0.660 1.420 2.740 17.925 17.432 1.028 [OK] 4068 532 A TRP N 12 N3H1s 0.700 1.640 2.243 10.936 13.791 0.793 [OK] 4069 532 A TRP CA 3 C4H1s 0.770 1.880 2.435 11.654 13.377 0.871 [OK] 4070 532 A TRP C 1 C3H0s 0.770 1.610 4.044 11.638 8.724 1.334 possible 4071 532 A TRP O 16 O1H0u 0.660 1.420 8.180 -1.000 15.951 -1.000 bad 4072 532 A TRP CB 8 C4H2s 0.770 1.880 4.344 26.684 24.004 1.112 possible 4073 532 A TRP CG 2 C3H0b 0.770 1.610 2.348 9.133 9.965 0.916 [OK] 4074 532 A TRP CD1 5 C3H1s 0.770 1.760 2.866 17.513 20.874 0.839 [OK] 4075 532 A TRP CD2 2 C3H0b 0.770 1.610 2.481 10.122 10.097 1.003 [OK] 4076 532 A TRP NE1 13 N3H1b 0.700 1.640 2.935 16.714 16.969 0.985 [OK] 4077 532 A TRP CE2 2 C3H0b 0.770 1.610 2.628 9.884 9.889 1.000 [OK] 4078 532 A TRP CE3 6 C3H1b 0.770 1.760 2.918 20.475 20.448 1.001 [OK] 4079 532 A TRP CZ2 6 C3H1b 0.770 1.760 2.768 20.762 21.012 0.988 [OK] 4080 532 A TRP CZ3 6 C3H1b 0.770 1.760 2.909 19.820 21.516 0.921 [OK] 4081 532 A TRP CH2 6 C3H1b 0.770 1.760 2.725 19.749 21.339 0.926 [OK] 4082 533 A THR N 12 N3H1s 0.700 1.640 3.249 13.903 13.832 1.005 possible 4083 533 A THR CA 3 C4H1s 0.770 1.880 6.478 24.783 13.099 1.892 possible 4084 533 A THR C 1 C3H0s 0.770 1.610 2.491 8.050 8.738 0.921 [OK] 4085 533 A THR O 16 O1H0u 0.660 1.420 15.630 -1.000 16.020 -1.000 bad 4086 533 A THR CB 4 C4H1b 0.770 1.880 2.727 12.061 14.829 0.813 [OK] 4087 533 A THR OG1 17 O2H1u 0.660 1.460 26.778 -1.000 18.123 -1.000 bad 4088 533 A THR CG2 10 C4H3u 0.770 1.880 36.468 -1.000 36.542 -1.000 bad 4089 534 A LEU N 12 N3H1s 0.700 1.640 2.511 13.335 13.655 0.977 [OK] 4090 534 A LEU CA 3 C4H1s 0.770 1.880 4.364 15.447 13.122 1.177 possible 4091 534 A LEU C 1 C3H0s 0.770 1.610 2.564 8.923 8.825 1.011 [OK] 4092 534 A LEU O 16 O1H0u 0.660 1.420 2.477 13.914 16.208 0.858 [OK] 4093 534 A LEU CB 8 C4H2s 0.770 1.880 3.125 24.556 22.951 1.070 possible 4094 534 A LEU CG 4 C4H1b 0.770 1.880 2.981 14.679 14.764 0.994 [OK] 4095 534 A LEU CD1 10 C4H3u 0.770 1.880 3.090 39.306 37.425 1.050 possible 4096 534 A LEU CD2 10 C4H3u 0.770 1.880 15.426 -1.000 37.143 -1.000 bad 4097 535 A PRO N 11 N3H0u 0.700 1.640 3.818 10.172 8.823 1.153 possible 4098 535 A PRO CA 4 C4H1b 0.770 1.880 3.434 15.241 13.955 1.092 possible 4099 535 A PRO C 1 C3H0s 0.770 1.610 2.291 9.335 8.812 1.059 [OK] 4100 535 A PRO O 16 O1H0u 0.660 1.420 2.513 16.463 16.169 1.018 [OK] 4101 535 A PRO CB 9 C4H2b 0.770 1.880 26.326 -1.000 25.563 -1.000 bad 4102 535 A PRO CG 9 C4H2b 0.770 1.880 16.141 -1.000 25.832 -1.000 bad 4103 535 A PRO CD 8 C4H2s 0.770 1.880 16.461 -1.000 23.836 -1.000 bad 4104 536 A SER N 12 N3H1s 0.700 1.640 3.208 15.845 14.103 1.124 possible 4105 536 A SER CA 3 C4H1s 0.770 1.880 2.684 11.899 13.476 0.883 [OK] 4106 536 A SER C 1 C3H0s 0.770 1.610 3.257 10.240 8.923 1.148 possible 4107 536 A SER O 16 O1H0u 0.660 1.420 4.466 22.611 16.179 1.398 possible 4108 536 A SER CB 8 C4H2s 0.770 1.880 3.021 22.176 23.884 0.928 possible 4109 536 A SER OG 17 O2H1u 0.660 1.460 2.692 20.027 18.732 1.069 [OK] 4110 537 A PRO N 11 N3H0u 0.700 1.640 3.200 9.104 8.823 1.032 possible 4111 537 A PRO CA 4 C4H1b 0.770 1.880 2.723 11.758 13.955 0.843 [OK] 4112 537 A PRO C 1 C3H0s 0.770 1.610 2.226 8.182 8.812 0.929 [OK] 4113 537 A PRO O 16 O1H0u 0.660 1.420 7.565 48.777 16.169 3.017 possible 4114 537 A PRO CB 9 C4H2b 0.770 1.880 3.938 31.497 25.563 1.232 possible 4115 537 A PRO CG 9 C4H2b 0.770 1.880 16.025 -1.000 25.832 -1.000 bad 4116 537 A PRO CD 8 C4H2s 0.770 1.880 14.015 -1.000 23.836 -1.000 bad 4117 538 A PRO N 11 N3H0u 0.700 1.640 2.587 8.142 8.823 0.923 [OK] 4118 538 A PRO CA 4 C4H1b 0.770 1.880 2.588 13.447 13.955 0.964 [OK] 4119 538 A PRO C 1 C3H0s 0.770 1.610 2.546 8.579 8.812 0.974 [OK] 4120 538 A PRO O 16 O1H0u 0.660 1.420 5.253 35.979 16.169 2.225 possible 4121 538 A PRO CB 9 C4H2b 0.770 1.880 2.993 25.488 25.563 0.997 [OK] 4122 538 A PRO CG 9 C4H2b 0.770 1.880 3.126 30.875 25.832 1.195 possible 4123 538 A PRO CD 8 C4H2s 0.770 1.880 3.404 24.815 23.836 1.041 possible 4124 539 A PRO N 11 N3H0u 0.700 1.640 3.344 9.744 8.823 1.104 possible 4125 539 A PRO CA 4 C4H1b 0.770 1.880 10.982 -1.000 13.955 -1.000 bad 4126 539 A PRO C 1 C3H0s 0.770 1.610 2.482 8.674 8.812 0.984 [OK] 4127 539 A PRO O 16 O1H0u 0.660 1.420 2.347 14.274 16.169 0.883 [OK] 4128 539 A PRO CB 9 C4H2b 0.770 1.880 32.330 -1.000 25.563 -1.000 bad 4129 539 A PRO CG 9 C4H2b 0.770 1.880 14.402 -1.000 25.832 -1.000 bad 4130 539 A PRO CD 8 C4H2s 0.770 1.880 2.908 22.617 23.836 0.949 [OK] 4131 540 A GLU N 12 N3H1s 0.700 1.640 8.937 -1.000 13.615 -1.000 bad 4132 540 A GLU CA 3 C4H1s 0.770 1.880 4.397 16.880 13.399 1.260 possible 4133 540 A GLU C 1 C3H0s 0.770 1.610 2.421 7.651 8.675 0.882 [OK] 4134 540 A GLU O 16 O1H0u 0.660 1.420 3.246 25.935 16.023 1.619 possible 4135 540 A GLU CB 8 C4H2s 0.770 1.880 24.906 -1.000 23.529 -1.000 bad 4136 540 A GLU CG 8 C4H2s 0.770 1.880 4.081 35.442 23.513 1.507 possible 4137 540 A GLU CD 2 C3H0b 0.770 1.610 4.755 13.556 9.460 1.433 possible 4138 540 A GLU OE1 16 O1H0u 0.660 1.420 26.447 -1.000 15.999 -1.000 bad 4139 540 A GLU OE2 16 O1H0u 0.660 1.420 40.576 -1.000 17.432 -1.000 bad 4140 541 A HIS N 12 N3H1s 0.700 1.640 4.895 19.835 13.715 1.446 possible 4141 541 A HIS CA 3 C4H1s 0.770 1.880 3.549 14.762 13.467 1.096 possible 4142 541 A HIS C 1 C3H0s 0.770 1.610 2.639 9.155 8.882 1.031 [OK] 4143 541 A HIS O 16 O1H0u 0.660 1.420 4.627 31.099 16.082 1.934 possible 4144 541 A HIS CB 8 C4H2s 0.770 1.880 4.709 29.605 23.653 1.252 possible 4145 541 A HIS CG 2 C3H0b 0.770 1.610 3.214 11.364 9.952 1.142 possible 4146 541 A HIS ND1 13 N3H1b 0.700 1.640 12.010 -1.000 15.506 -1.000 bad 4147 541 A HIS CD2 5 C3H1s 0.770 1.760 29.061 -1.000 21.085 -1.000 bad 4148 541 A HIS CE1 5 C3H1s 0.770 1.760 26.127 -1.000 20.636 -1.000 bad 4149 541 A HIS NE2 13 N3H1b 0.700 1.640 30.703 -1.000 15.337 -1.000 bad 4150 542 A THR N 12 N3H1s 0.700 1.640 3.220 18.417 13.832 1.331 possible 4151 542 A THR CA 3 C4H1s 0.770 1.880 3.443 14.362 13.099 1.096 possible 4152 542 A THR C 1 C3H0s 0.770 1.610 2.510 9.275 8.738 1.062 [OK] 4153 542 A THR O 16 O1H0u 0.660 1.420 2.960 17.826 16.020 1.113 [OK] 4154 542 A THR CB 4 C4H1b 0.770 1.880 2.914 17.181 14.829 1.159 [OK] 4155 542 A THR OG1 17 O2H1u 0.660 1.460 2.820 24.005 18.123 1.325 [OK] 4156 542 A THR CG2 10 C4H3u 0.770 1.880 2.941 34.472 36.542 0.943 [OK] 4157 543 A PHE N 12 N3H1s 0.700 1.640 4.927 30.050 13.691 2.195 possible 4158 543 A PHE CA 3 C4H1s 0.770 1.880 5.458 28.479 13.449 2.118 possible 4159 543 A PHE C 1 C3H0s 0.770 1.610 3.457 11.114 8.753 1.270 possible 4160 543 A PHE O 16 O1H0u 0.660 1.420 5.886 65.348 16.151 4.046 possible 4161 543 A PHE CB 8 C4H2s 0.770 1.880 5.521 36.168 23.777 1.521 possible 4162 543 A PHE CG 2 C3H0b 0.770 1.610 4.151 12.742 9.721 1.311 possible 4163 543 A PHE CD1 5 C3H1s 0.770 1.760 7.584 72.425 20.405 3.549 possible 4164 543 A PHE CD2 6 C3H1b 0.770 1.760 2.861 18.813 21.051 0.894 [OK] 4165 543 A PHE CE1 6 C3H1b 0.770 1.760 5.074 35.031 21.580 1.623 possible 4166 543 A PHE CE2 6 C3H1b 0.770 1.760 2.863 20.714 21.680 0.955 [OK] 4167 543 A PHE CZ 6 C3H1b 0.770 1.760 3.028 22.047 21.666 1.018 possible 4168 544 A GLU N 12 N3H1s 0.700 1.640 3.703 16.179 13.615 1.188 possible 4169 544 A GLU CA 3 C4H1s 0.770 1.880 5.839 24.857 13.399 1.855 possible 4170 544 A GLU C 1 C3H0s 0.770 1.610 2.979 9.570 8.675 1.103 [OK] 4171 544 A GLU O 16 O1H0u 0.660 1.420 24.403 -1.000 16.023 -1.000 bad 4172 544 A GLU CB 8 C4H2s 0.770 1.880 17.581 -1.000 23.529 -1.000 bad 4173 544 A GLU CG 8 C4H2s 0.770 1.880 4.863 31.558 23.513 1.342 possible 4174 544 A GLU CD 2 C3H0b 0.770 1.610 4.339 12.367 9.460 1.307 possible 4175 544 A GLU OE1 16 O1H0u 0.660 1.420 29.435 -1.000 15.999 -1.000 bad 4176 544 A GLU OE2 16 O1H0u 0.660 1.420 36.328 -1.000 17.432 -1.000 bad 4177 545 A THR N 12 N3H1s 0.700 1.640 3.420 17.007 13.832 1.230 possible 4178 545 A THR CA 3 C4H1s 0.770 1.880 9.583 -1.000 13.099 -1.000 bad 4179 545 A THR C 1 C3H0s 0.770 1.610 3.335 9.486 8.738 1.086 possible 4180 545 A THR O 16 O1H0u 0.660 1.420 31.345 -1.000 16.020 -1.000 bad 4181 545 A THR CB 4 C4H1b 0.770 1.880 11.417 -1.000 14.829 -1.000 bad 4182 545 A THR OG1 17 O2H1u 0.660 1.460 28.798 -1.000 18.123 -1.000 bad 4183 545 A THR CG2 10 C4H3u 0.770 1.880 62.391 -1.000 36.542 -1.000 bad 4184 545 A THR OXT 16 O1H0u 0.660 1.420 42.355 -1.000 1.420 -1.000 bad 4186 1 B GLN N 12 N3H1s 0.700 1.640 4.954 56.212 13.616 4.128 possible 4187 1 B GLN CA 3 C4H1s 0.770 1.880 14.654 -1.000 13.334 -1.000 bad 4188 1 B GLN C 1 C3H0s 0.770 1.610 5.317 15.319 8.787 1.743 possible 4189 1 B GLN O 16 O1H0u 0.660 1.420 6.993 68.795 15.993 4.302 possible 4190 1 B GLN CB 8 C4H2s 0.770 1.880 4.892 33.822 23.275 1.453 possible 4191 1 B GLN CG 8 C4H2s 0.770 1.880 6.384 69.359 23.465 2.956 possible 4192 1 B GLN CD 2 C3H0b 0.770 1.610 2.445 9.438 9.659 0.977 [OK] 4193 1 B GLN OE1 16 O1H0u 0.660 1.420 2.727 18.104 17.091 1.059 [OK] 4194 1 B GLN NE2 15 N3H2u 0.700 1.640 6.422 72.210 24.150 2.990 possible 4195 2 B ASP N 12 N3H1s 0.700 1.640 7.139 40.243 13.895 2.896 possible 4196 2 B ASP CA 3 C4H1s 0.770 1.880 3.590 14.189 13.377 1.061 possible 4197 2 B ASP C 1 C3H0s 0.770 1.610 3.833 9.977 8.816 1.132 possible 4198 2 B ASP O 16 O1H0u 0.660 1.420 19.703 -1.000 16.091 -1.000 bad 4199 2 B ASP CB 8 C4H2s 0.770 1.880 26.484 -1.000 23.481 -1.000 bad 4200 2 B ASP CG 2 C3H0b 0.770 1.610 5.488 -1.000 9.422 -1.000 bad 4201 2 B ASP OD1 16 O1H0u 0.660 1.420 42.959 -1.000 15.505 -1.000 bad 4202 2 B ASP OD2 16 O1H0u 0.660 1.420 45.887 -1.000 16.324 -1.000 bad 4203 3 B VAL N 12 N3H1s 0.700 1.640 4.150 18.011 13.676 1.317 possible 4204 3 B VAL CA 3 C4H1s 0.770 1.880 11.168 -1.000 13.123 -1.000 bad 4205 3 B VAL C 1 C3H0s 0.770 1.610 2.479 8.057 8.563 0.941 [OK] 4206 3 B VAL O 16 O1H0u 0.660 1.420 7.182 41.860 16.181 2.587 possible 4207 3 B VAL CB 4 C4H1b 0.770 1.880 7.161 40.479 14.598 2.773 possible 4208 3 B VAL CG1 10 C4H3u 0.770 1.880 5.679 62.784 36.584 1.716 possible 4209 3 B VAL CG2 10 C4H3u 0.770 1.880 6.185 44.918 36.332 1.236 possible 4210 4 B LEU N 12 N3H1s 0.700 1.640 2.492 13.746 13.655 1.007 [OK] 4211 4 B LEU CA 3 C4H1s 0.770 1.880 3.059 15.460 13.122 1.178 possible 4212 4 B LEU C 1 C3H0s 0.770 1.610 2.457 9.546 8.825 1.082 [OK] 4213 4 B LEU O 16 O1H0u 0.660 1.420 3.659 18.248 16.208 1.126 possible 4214 4 B LEU CB 8 C4H2s 0.770 1.880 2.817 21.850 22.951 0.952 [OK] 4215 4 B LEU CG 4 C4H1b 0.770 1.880 2.961 13.850 14.764 0.938 [OK] 4216 4 B LEU CD1 10 C4H3u 0.770 1.880 3.068 33.576 37.425 0.897 possible 4217 4 B LEU CD2 10 C4H3u 0.770 1.880 3.071 36.522 37.143 0.983 possible 4218 5 B GLY N 12 N3H1s 0.700 1.640 3.432 17.281 14.854 1.163 possible 4219 5 B GLY CA 8 C4H2s 0.770 1.880 5.740 50.335 23.688 2.125 possible 4220 5 B GLY C 2 C3H0b 0.770 1.610 3.889 11.556 9.840 1.174 possible 4221 5 B GLY O 16 O1H0u 0.660 1.420 5.599 40.225 16.391 2.454 possible 4222 6 B ASP N 12 N3H1s 0.700 1.640 4.581 29.859 13.895 2.149 possible 4223 6 B ASP CA 3 C4H1s 0.770 1.880 5.666 28.011 13.377 2.094 possible 4224 6 B ASP C 1 C3H0s 0.770 1.610 3.838 10.011 8.816 1.136 possible 4225 6 B ASP O 16 O1H0u 0.660 1.420 19.437 -1.000 16.091 -1.000 bad 4226 6 B ASP CB 8 C4H2s 0.770 1.880 26.478 -1.000 23.481 -1.000 bad 4227 6 B ASP CG 2 C3H0b 0.770 1.610 3.970 -1.000 9.422 -1.000 bad 4228 6 B ASP OD1 16 O1H0u 0.660 1.420 40.091 -1.000 15.505 -1.000 bad 4229 6 B ASP OD2 16 O1H0u 0.660 1.420 44.432 -1.000 16.324 -1.000 bad 4230 7 B LEU N 12 N3H1s 0.700 1.640 2.650 14.381 13.655 1.053 [OK] 4231 7 B LEU CA 3 C4H1s 0.770 1.880 3.045 11.638 13.122 0.887 possible 4232 7 B LEU C 1 C3H0s 0.770 1.610 2.782 8.620 8.825 0.977 [OK] 4233 7 B LEU O 16 O1H0u 0.660 1.420 9.079 -1.000 16.208 -1.000 bad 4234 7 B LEU CB 8 C4H2s 0.770 1.880 2.716 21.081 22.951 0.919 [OK] 4235 7 B LEU CG 4 C4H1b 0.770 1.880 2.934 15.336 14.764 1.039 [OK] 4236 7 B LEU CD1 10 C4H3u 0.770 1.880 2.861 34.572 37.425 0.924 [OK] 4237 7 B LEU CD2 10 C4H3u 0.770 1.880 3.901 41.807 37.143 1.126 possible 4238 8 B PRO N 11 N3H0u 0.700 1.640 3.169 9.215 8.823 1.044 possible 4239 8 B PRO CA 4 C4H1b 0.770 1.880 9.335 -1.000 13.955 -1.000 bad 4240 8 B PRO C 1 C3H0s 0.770 1.610 2.451 9.247 8.812 1.049 [OK] 4241 8 B PRO O 16 O1H0u 0.660 1.420 2.120 13.272 16.169 0.821 [OK] 4242 8 B PRO CB 9 C4H2b 0.770 1.880 30.852 -1.000 25.563 -1.000 bad 4243 8 B PRO CG 9 C4H2b 0.770 1.880 6.464 45.089 25.832 1.745 possible 4244 8 B PRO CD 8 C4H2s 0.770 1.880 6.615 51.392 23.836 2.156 possible 4245 9 B VAL N 12 N3H1s 0.700 1.640 5.118 -1.000 13.676 -1.000 bad 4246 9 B VAL CA 3 C4H1s 0.770 1.880 2.476 12.360 13.123 0.942 [OK] 4247 9 B VAL C 1 C3H0s 0.770 1.610 2.422 8.416 8.563 0.983 [OK] 4248 9 B VAL O 16 O1H0u 0.660 1.420 20.731 -1.000 16.181 -1.000 bad 4249 9 B VAL CB 4 C4H1b 0.770 1.880 7.191 -1.000 14.598 -1.000 bad 4250 9 B VAL CG1 10 C4H3u 0.770 1.880 3.173 36.533 36.584 0.999 possible 4251 9 B VAL CG2 10 C4H3u 0.770 1.880 26.462 -1.000 36.332 -1.000 bad 4252 10 B ILE N 12 N3H1s 0.700 1.640 2.643 13.300 13.633 0.976 [OK] 4253 10 B ILE CA 3 C4H1s 0.770 1.880 3.938 13.844 13.007 1.064 possible 4254 10 B ILE C 1 C3H0s 0.770 1.610 2.647 9.095 8.470 1.074 [OK] 4255 10 B ILE O 16 O1H0u 0.660 1.420 4.247 28.298 16.144 1.753 possible 4256 10 B ILE CB 4 C4H1b 0.770 1.880 2.783 11.751 14.227 0.826 [OK] 4257 10 B ILE CG1 9 C4H2b 0.770 1.880 2.958 27.552 24.187 1.139 [OK] 4258 10 B ILE CG2 10 C4H3u 0.770 1.880 4.029 40.489 35.961 1.126 possible 4259 10 B ILE CD1 10 C4H3u 0.770 1.880 25.100 -1.000 38.377 -1.000 bad 4260 11 B GLY N 12 N3H1s 0.700 1.640 2.759 14.327 14.854 0.965 [OK] 4261 11 B GLY CA 8 C4H2s 0.770 1.880 3.038 22.779 23.688 0.962 possible 4262 11 B GLY C 2 C3H0b 0.770 1.610 2.672 9.157 9.840 0.931 [OK] 4263 11 B GLY O 16 O1H0u 0.660 1.420 2.588 17.911 16.391 1.093 [OK] 4264 12 B LYS N 12 N3H1s 0.700 1.640 2.529 13.000 13.675 0.951 [OK] 4265 12 B LYS CA 3 C4H1s 0.770 1.880 2.774 12.700 13.324 0.953 [OK] 4266 12 B LYS C 1 C3H0s 0.770 1.610 2.042 7.772 8.759 0.887 [OK] 4267 12 B LYS O 16 O1H0u 0.660 1.420 3.974 25.970 16.049 1.618 possible 4268 12 B LYS CB 8 C4H2s 0.770 1.880 3.696 24.139 22.904 1.054 possible 4269 12 B LYS CG 8 C4H2s 0.770 1.880 2.971 23.403 23.131 1.012 [OK] 4270 12 B LYS CD 8 C4H2s 0.770 1.880 5.885 49.560 23.837 2.079 possible 4271 12 B LYS CE 9 C4H2b 0.770 1.880 3.288 23.950 23.934 1.001 possible 4272 12 B LYS NZ 14 N4H3u 0.700 1.640 22.666 -1.000 21.213 -1.000 bad 4273 13 B PRO N 11 N3H0u 0.700 1.640 2.170 7.582 8.823 0.859 [OK] 4274 13 B PRO CA 4 C4H1b 0.770 1.880 3.207 15.889 13.955 1.139 possible 4275 13 B PRO C 1 C3H0s 0.770 1.610 2.286 8.007 8.812 0.909 [OK] 4276 13 B PRO O 16 O1H0u 0.660 1.420 3.990 19.353 16.169 1.197 possible 4277 13 B PRO CB 9 C4H2b 0.770 1.880 3.130 24.585 25.563 0.962 possible 4278 13 B PRO CG 9 C4H2b 0.770 1.880 3.318 27.128 25.832 1.050 possible 4279 13 B PRO CD 8 C4H2s 0.770 1.880 3.121 26.145 23.836 1.097 possible 4280 14 B VAL N 12 N3H1s 0.700 1.640 2.916 12.723 13.676 0.930 [OK] 4281 14 B VAL CA 3 C4H1s 0.770 1.880 4.362 15.978 13.123 1.218 possible 4282 14 B VAL C 1 C3H0s 0.770 1.610 2.456 8.329 8.563 0.973 [OK] 4283 14 B VAL O 16 O1H0u 0.660 1.420 2.992 15.523 16.181 0.959 [OK] 4284 14 B VAL CB 4 C4H1b 0.770 1.880 4.964 19.366 14.598 1.327 possible 4285 14 B VAL CG1 10 C4H3u 0.770 1.880 50.742 -1.000 36.584 -1.000 bad 4286 14 B VAL CG2 10 C4H3u 0.770 1.880 40.054 -1.000 36.332 -1.000 bad 4287 15 B ASN N 12 N3H1s 0.700 1.640 5.369 25.547 13.695 1.865 possible 4288 15 B ASN CA 3 C4H1s 0.770 1.880 2.322 10.929 13.167 0.830 [OK] 4289 15 B ASN C 1 C3H0s 0.770 1.610 2.880 8.769 8.928 0.982 [OK] 4290 15 B ASN O 16 O1H0u 0.660 1.420 5.805 42.728 16.199 2.638 possible 4291 15 B ASN CB 8 C4H2s 0.770 1.880 25.424 -1.000 23.128 -1.000 bad 4292 15 B ASN CG 2 C3H0b 0.770 1.610 3.430 11.420 9.599 1.190 possible 4293 15 B ASN OD1 16 O1H0u 0.660 1.420 2.741 16.352 16.664 0.981 [OK] 4294 15 B ASN ND2 15 N3H2u 0.700 1.640 37.839 -1.000 23.083 -1.000 bad 4295 16 B GLY N 12 N3H1s 0.700 1.640 3.233 18.673 14.854 1.257 possible 4296 16 B GLY CA 8 C4H2s 0.770 1.880 2.893 24.556 23.688 1.037 [OK] 4297 16 B GLY C 2 C3H0b 0.770 1.610 3.417 10.549 9.840 1.072 possible 4298 16 B GLY O 16 O1H0u 0.660 1.420 5.650 30.705 16.391 1.873 possible 4299 17 B GLY N 12 N3H1s 0.700 1.640 3.421 17.464 14.854 1.176 possible 4300 17 B GLY CA 8 C4H2s 0.770 1.880 6.972 61.185 23.688 2.583 possible 4301 17 B GLY C 2 C3H0b 0.770 1.610 2.641 9.176 9.840 0.932 [OK] 4302 17 B GLY O 16 O1H0u 0.660 1.420 3.188 19.132 16.391 1.167 possible 4303 18 B MET N 12 N3H1s 0.700 1.640 5.375 26.120 13.564 1.926 possible 4304 18 B MET CA 3 C4H1s 0.770 1.880 2.810 13.074 13.231 0.988 [OK] 4305 18 B MET C 1 C3H0s 0.770 1.610 2.640 10.103 8.782 1.150 [OK] 4306 18 B MET O 16 O1H0u 0.660 1.420 2.363 16.492 16.277 1.013 [OK] 4307 18 B MET CB 8 C4H2s 0.770 1.880 4.060 26.408 23.645 1.117 possible 4308 18 B MET CG 9 C4H2b 0.770 1.880 4.618 27.073 24.009 1.128 possible 4309 18 B MET SD 19 S2H0u 1.040 1.770 4.221 36.095 30.093 1.199 possible 4310 18 B MET CE 10 C4H3u 0.770 1.880 4.709 49.679 37.161 1.337 possible 4311 19 B ASN N 12 N3H1s 0.700 1.640 4.295 19.697 13.695 1.438 possible 4312 19 B ASN CA 3 C4H1s 0.770 1.880 2.648 12.209 13.167 0.927 [OK] 4313 19 B ASN C 1 C3H0s 0.770 1.610 3.043 9.381 8.928 1.051 possible 4314 19 B ASN O 16 O1H0u 0.660 1.420 3.723 19.910 16.199 1.229 possible 4315 19 B ASN CB 8 C4H2s 0.770 1.880 6.737 67.128 23.128 2.902 possible 4316 19 B ASN CG 2 C3H0b 0.770 1.610 5.598 15.966 9.599 1.663 possible 4317 19 B ASN OD1 16 O1H0u 0.660 1.420 3.892 25.624 16.664 1.538 possible 4318 19 B ASN ND2 15 N3H2u 0.700 1.640 7.316 98.909 23.083 4.285 possible 4319 20 B PHE N 12 N3H1s 0.700 1.640 3.623 17.759 13.691 1.297 possible 4320 20 B PHE CA 3 C4H1s 0.770 1.880 2.790 13.240 13.449 0.984 [OK] 4321 20 B PHE C 1 C3H0s 0.770 1.610 2.713 9.604 8.753 1.097 [OK] 4322 20 B PHE O 16 O1H0u 0.660 1.420 6.304 62.232 16.151 3.853 possible 4323 20 B PHE CB 8 C4H2s 0.770 1.880 3.422 22.935 23.777 0.965 possible 4324 20 B PHE CG 2 C3H0b 0.770 1.610 2.493 9.614 9.721 0.989 [OK] 4325 20 B PHE CD1 5 C3H1s 0.770 1.760 3.368 23.180 20.405 1.136 possible 4326 20 B PHE CD2 6 C3H1b 0.770 1.760 4.246 30.607 21.051 1.454 possible 4327 20 B PHE CE1 6 C3H1b 0.770 1.760 3.065 21.289 21.580 0.987 possible 4328 20 B PHE CE2 6 C3H1b 0.770 1.760 2.984 19.818 21.680 0.914 [OK] 4329 20 B PHE CZ 6 C3H1b 0.770 1.760 2.952 19.764 21.666 0.912 [OK] 4330 21 B GLN N 12 N3H1s 0.700 1.640 3.293 20.375 13.616 1.496 possible 4331 21 B GLN CA 3 C4H1s 0.770 1.880 3.453 14.206 13.334 1.065 possible 4332 21 B GLN C 1 C3H0s 0.770 1.610 3.112 9.623 8.787 1.095 possible 4333 21 B GLN O 16 O1H0u 0.660 1.420 3.566 18.994 15.993 1.188 possible 4334 21 B GLN CB 8 C4H2s 0.770 1.880 3.350 25.926 23.275 1.114 possible 4335 21 B GLN CG 8 C4H2s 0.770 1.880 3.411 31.283 23.465 1.333 possible 4336 21 B GLN CD 2 C3H0b 0.770 1.610 3.133 10.262 9.659 1.062 possible 4337 21 B GLN OE1 16 O1H0u 0.660 1.420 2.713 18.815 17.091 1.101 [OK] 4338 21 B GLN NE2 15 N3H2u 0.700 1.640 2.612 19.916 24.150 0.825 [OK] 4339 22 B PRO N 11 N3H0u 0.700 1.640 4.047 11.649 8.823 1.320 possible 4340 22 B PRO CA 4 C4H1b 0.770 1.880 12.816 -1.000 13.955 -1.000 bad 4341 22 B PRO C 1 C3H0s 0.770 1.610 2.768 8.691 8.812 0.986 [OK] 4342 22 B PRO O 16 O1H0u 0.660 1.420 2.596 17.030 16.169 1.053 [OK] 4343 22 B PRO CB 9 C4H2b 0.770 1.880 5.858 47.332 25.563 1.852 possible 4344 22 B PRO CG 9 C4H2b 0.770 1.880 34.147 -1.000 25.832 -1.000 bad 4345 22 B PRO CD 8 C4H2s 0.770 1.880 4.715 39.671 23.836 1.664 possible 4346 23 B ALA N 12 N3H1s 0.700 1.640 6.691 34.977 14.046 2.490 possible 4347 23 B ALA CA 4 C4H1b 0.770 1.880 3.029 13.795 14.063 0.981 possible 4348 23 B ALA C 1 C3H0s 0.770 1.610 2.646 8.691 8.900 0.977 [OK] 4349 23 B ALA O 16 O1H0u 0.660 1.420 4.311 24.682 16.188 1.525 possible 4350 23 B ALA CB 10 C4H3u 0.770 1.880 6.225 49.027 36.782 1.333 possible 4351 24 B SER N 12 N3H1s 0.700 1.640 2.568 12.499 14.103 0.886 [OK] 4352 24 B SER CA 3 C4H1s 0.770 1.880 2.708 13.458 13.476 0.999 [OK] 4353 24 B SER C 1 C3H0s 0.770 1.610 2.324 9.280 8.923 1.040 [OK] 4354 24 B SER O 16 O1H0u 0.660 1.420 2.590 16.265 16.179 1.005 [OK] 4355 24 B SER CB 8 C4H2s 0.770 1.880 3.108 24.205 23.884 1.013 possible 4356 24 B SER OG 17 O2H1u 0.660 1.460 2.488 18.811 18.732 1.004 [OK] 4357 25 B SER N 12 N3H1s 0.700 1.640 2.572 14.050 14.103 0.996 [OK] 4358 25 B SER CA 3 C4H1s 0.770 1.880 2.433 11.642 13.476 0.864 [OK] 4359 25 B SER C 1 C3H0s 0.770 1.610 2.324 8.585 8.923 0.962 [OK] 4360 25 B SER O 16 O1H0u 0.660 1.420 2.376 14.512 16.179 0.897 [OK] 4361 25 B SER CB 8 C4H2s 0.770 1.880 3.120 25.309 23.884 1.060 possible 4362 25 B SER OG 17 O2H1u 0.660 1.460 2.640 17.197 18.732 0.918 [OK] 4363 26 B PRO N 11 N3H0u 0.700 1.640 2.510 8.116 8.823 0.920 [OK] 4364 26 B PRO CA 4 C4H1b 0.770 1.880 3.481 16.474 13.955 1.180 possible 4365 26 B PRO C 1 C3H0s 0.770 1.610 3.035 9.503 8.812 1.078 possible 4366 26 B PRO O 16 O1H0u 0.660 1.420 3.144 18.438 16.169 1.140 possible 4367 26 B PRO CB 9 C4H2b 0.770 1.880 4.292 44.331 25.563 1.734 possible 4368 26 B PRO CG 9 C4H2b 0.770 1.880 3.099 25.472 25.832 0.986 possible 4369 26 B PRO CD 8 C4H2s 0.770 1.880 3.180 24.364 23.836 1.022 possible 4370 27 B LEU N 12 N3H1s 0.700 1.640 2.891 13.864 13.655 1.015 [OK] 4371 27 B LEU CA 3 C4H1s 0.770 1.880 3.432 15.798 13.122 1.204 possible 4372 27 B LEU C 1 C3H0s 0.770 1.610 2.253 8.113 8.825 0.919 [OK] 4373 27 B LEU O 16 O1H0u 0.660 1.420 2.950 17.929 16.208 1.106 [OK] 4374 27 B LEU CB 8 C4H2s 0.770 1.880 3.292 25.917 22.951 1.129 possible 4375 27 B LEU CG 4 C4H1b 0.770 1.880 3.177 17.961 14.764 1.217 possible 4376 27 B LEU CD1 10 C4H3u 0.770 1.880 2.943 36.895 37.425 0.986 [OK] 4377 27 B LEU CD2 10 C4H3u 0.770 1.880 3.538 41.896 37.143 1.128 possible 4378 28 B ALA N 12 N3H1s 0.700 1.640 2.224 12.180 14.046 0.867 [OK] 4379 28 B ALA CA 4 C4H1b 0.770 1.880 2.740 13.063 14.063 0.929 [OK] 4380 28 B ALA C 1 C3H0s 0.770 1.610 2.121 8.171 8.900 0.918 [OK] 4381 28 B ALA O 16 O1H0u 0.660 1.420 2.480 14.530 16.188 0.898 [OK] 4382 28 B ALA CB 10 C4H3u 0.770 1.880 3.051 33.638 36.782 0.915 possible 4383 29 B HIS N 12 N3H1s 0.700 1.640 2.462 12.460 13.715 0.909 [OK] 4384 29 B HIS CA 3 C4H1s 0.770 1.880 3.353 14.391 13.467 1.069 possible 4385 29 B HIS C 1 C3H0s 0.770 1.610 2.135 8.265 8.882 0.931 [OK] 4386 29 B HIS O 16 O1H0u 0.660 1.420 4.305 20.458 16.082 1.272 possible 4387 29 B HIS CB 8 C4H2s 0.770 1.880 3.110 21.344 23.653 0.902 possible 4388 29 B HIS CG 2 C3H0b 0.770 1.610 2.398 9.546 9.952 0.959 [OK] 4389 29 B HIS ND1 13 N3H1b 0.700 1.640 2.836 18.336 15.506 1.183 [OK] 4390 29 B HIS CD2 5 C3H1s 0.770 1.760 5.198 43.721 21.085 2.074 possible 4391 29 B HIS CE1 5 C3H1s 0.770 1.760 2.831 19.990 20.636 0.969 [OK] 4392 29 B HIS NE2 13 N3H1b 0.700 1.640 5.319 38.230 15.337 2.493 possible 4393 30 B ASP N 12 N3H1s 0.700 1.640 2.516 13.243 13.895 0.953 [OK] 4394 30 B ASP CA 3 C4H1s 0.770 1.880 3.180 14.603 13.377 1.092 possible 4395 30 B ASP C 1 C3H0s 0.770 1.610 2.552 8.319 8.816 0.944 [OK] 4396 30 B ASP O 16 O1H0u 0.660 1.420 2.641 14.412 16.091 0.896 [OK] 4397 30 B ASP CB 8 C4H2s 0.770 1.880 3.431 23.196 23.481 0.988 possible 4398 30 B ASP CG 2 C3H0b 0.770 1.610 2.508 9.844 9.422 1.045 [OK] 4399 30 B ASP OD1 16 O1H0u 0.660 1.420 3.934 26.122 15.505 1.685 possible 4400 30 B ASP OD2 16 O1H0u 0.660 1.420 3.338 25.474 16.324 1.561 possible 4401 31 B GLN N 12 N3H1s 0.700 1.640 2.977 13.800 13.616 1.014 [OK] 4402 31 B GLN CA 3 C4H1s 0.770 1.880 3.051 17.386 13.334 1.304 possible 4403 31 B GLN C 1 C3H0s 0.770 1.610 2.046 7.442 8.787 0.847 [OK] 4404 31 B GLN O 16 O1H0u 0.660 1.420 2.439 14.274 15.993 0.893 [OK] 4405 31 B GLN CB 8 C4H2s 0.770 1.880 3.175 25.146 23.275 1.080 possible 4406 31 B GLN CG 8 C4H2s 0.770 1.880 3.138 25.260 23.465 1.077 possible 4407 31 B GLN CD 2 C3H0b 0.770 1.610 2.222 8.460 9.659 0.876 [OK] 4408 31 B GLN OE1 16 O1H0u 0.660 1.420 2.284 16.049 17.091 0.939 [OK] 4409 31 B GLN NE2 15 N3H2u 0.700 1.640 2.977 27.895 24.150 1.155 [OK] 4410 32 B GLN N 12 N3H1s 0.700 1.640 2.168 11.767 13.616 0.864 [OK] 4411 32 B GLN CA 3 C4H1s 0.770 1.880 2.795 13.784 13.334 1.034 [OK] 4412 32 B GLN C 1 C3H0s 0.770 1.610 4.328 9.514 8.787 1.083 possible 4413 32 B GLN O 16 O1H0u 0.660 1.420 6.214 34.213 15.993 2.139 possible 4414 32 B GLN CB 8 C4H2s 0.770 1.880 6.422 41.841 23.275 1.798 possible 4415 32 B GLN CG 8 C4H2s 0.770 1.880 2.716 20.045 23.465 0.854 [OK] 4416 32 B GLN CD 2 C3H0b 0.770 1.610 2.430 8.987 9.659 0.930 [OK] 4417 32 B GLN OE1 16 O1H0u 0.660 1.420 21.262 -1.000 17.091 -1.000 bad 4418 32 B GLN NE2 15 N3H2u 0.700 1.640 2.777 21.347 24.150 0.884 [OK] 4419 33 B TRP N 12 N3H1s 0.700 1.640 4.826 15.042 13.791 1.091 possible 4420 33 B TRP CA 3 C4H1s 0.770 1.880 6.878 27.537 13.377 2.059 possible 4421 33 B TRP C 1 C3H0s 0.770 1.610 2.011 7.608 8.724 0.872 [OK] 4422 33 B TRP O 16 O1H0u 0.660 1.420 3.156 15.900 15.951 0.997 possible 4423 33 B TRP CB 8 C4H2s 0.770 1.880 5.007 28.156 24.004 1.173 possible 4424 33 B TRP CG 2 C3H0b 0.770 1.610 3.413 11.774 9.965 1.182 possible 4425 33 B TRP CD1 5 C3H1s 0.770 1.760 6.405 73.894 20.874 3.540 possible 4426 33 B TRP CD2 2 C3H0b 0.770 1.610 4.332 13.827 10.097 1.369 possible 4427 33 B TRP NE1 13 N3H1b 0.700 1.640 28.536 -1.000 16.969 -1.000 bad 4428 33 B TRP CE2 2 C3H0b 0.770 1.610 4.772 16.823 9.889 1.701 possible 4429 33 B TRP CE3 6 C3H1b 0.770 1.760 4.532 22.174 20.448 1.084 possible 4430 33 B TRP CZ2 6 C3H1b 0.770 1.760 25.531 -1.000 21.012 -1.000 bad 4431 33 B TRP CZ3 6 C3H1b 0.770 1.760 4.959 27.754 21.516 1.290 possible 4432 33 B TRP CH2 6 C3H1b 0.770 1.760 6.117 29.387 21.339 1.377 possible 4433 34 B LEU N 12 N3H1s 0.700 1.640 2.286 10.948 13.655 0.802 [OK] 4434 34 B LEU CA 3 C4H1s 0.770 1.880 2.535 11.542 13.122 0.880 [OK] 4435 34 B LEU C 1 C3H0s 0.770 1.610 2.233 7.617 8.825 0.863 [OK] 4436 34 B LEU O 16 O1H0u 0.660 1.420 2.228 13.733 16.208 0.847 [OK] 4437 34 B LEU CB 8 C4H2s 0.770 1.880 2.936 21.291 22.951 0.928 [OK] 4438 34 B LEU CG 4 C4H1b 0.770 1.880 3.102 14.360 14.764 0.973 possible 4439 34 B LEU CD1 10 C4H3u 0.770 1.880 3.133 36.330 37.425 0.971 possible 4440 34 B LEU CD2 10 C4H3u 0.770 1.880 3.097 34.721 37.143 0.935 possible 4441 35 B ASP N 12 N3H1s 0.700 1.640 2.193 11.641 13.895 0.838 [OK] 4442 35 B ASP CA 3 C4H1s 0.770 1.880 2.945 12.929 13.377 0.967 [OK] 4443 35 B ASP C 1 C3H0s 0.770 1.610 2.130 7.688 8.816 0.872 [OK] 4444 35 B ASP O 16 O1H0u 0.660 1.420 3.123 18.540 16.091 1.152 possible 4445 35 B ASP CB 8 C4H2s 0.770 1.880 2.868 21.741 23.481 0.926 [OK] 4446 35 B ASP CG 2 C3H0b 0.770 1.610 2.657 8.385 9.422 0.890 [OK] 4447 35 B ASP OD1 16 O1H0u 0.660 1.420 3.192 21.780 15.505 1.405 possible 4448 35 B ASP OD2 16 O1H0u 0.660 1.420 3.216 18.737 16.324 1.148 possible 4449 36 B HIS N 12 N3H1s 0.700 1.640 2.357 11.750 13.715 0.857 [OK] 4450 36 B HIS CA 3 C4H1s 0.770 1.880 2.676 12.437 13.467 0.924 [OK] 4451 36 B HIS C 1 C3H0s 0.770 1.610 2.552 8.178 8.882 0.921 [OK] 4452 36 B HIS O 16 O1H0u 0.660 1.420 3.129 18.024 16.082 1.121 possible 4453 36 B HIS CB 8 C4H2s 0.770 1.880 5.279 32.610 23.653 1.379 possible 4454 36 B HIS CG 2 C3H0b 0.770 1.610 7.518 21.468 9.952 2.157 possible 4455 36 B HIS ND1 13 N3H1b 0.700 1.640 19.947 -1.000 15.506 -1.000 bad 4456 36 B HIS CD2 5 C3H1s 0.770 1.760 17.213 -1.000 21.085 -1.000 bad 4457 36 B HIS CE1 5 C3H1s 0.770 1.760 25.515 -1.000 20.636 -1.000 bad 4458 36 B HIS NE2 13 N3H1b 0.700 1.640 13.735 -1.000 15.337 -1.000 bad 4459 37 B PHE N 12 N3H1s 0.700 1.640 3.533 14.162 13.691 1.034 possible 4460 37 B PHE CA 3 C4H1s 0.770 1.880 4.710 24.141 13.449 1.795 possible 4461 37 B PHE C 1 C3H0s 0.770 1.610 2.494 8.169 8.753 0.933 [OK] 4462 37 B PHE O 16 O1H0u 0.660 1.420 3.195 18.168 16.151 1.125 possible 4463 37 B PHE CB 8 C4H2s 0.770 1.880 4.203 26.229 23.777 1.103 possible 4464 37 B PHE CG 2 C3H0b 0.770 1.610 2.570 9.938 9.721 1.022 [OK] 4465 37 B PHE CD1 5 C3H1s 0.770 1.760 14.461 -1.000 20.405 -1.000 bad 4466 37 B PHE CD2 6 C3H1b 0.770 1.760 2.825 21.430 21.051 1.018 [OK] 4467 37 B PHE CE1 6 C3H1b 0.770 1.760 24.822 -1.000 21.580 -1.000 bad 4468 37 B PHE CE2 6 C3H1b 0.770 1.760 2.907 21.874 21.680 1.009 [OK] 4469 37 B PHE CZ 6 C3H1b 0.770 1.760 4.986 29.486 21.666 1.361 possible 4470 38 B VAL N 12 N3H1s 0.700 1.640 2.547 12.383 13.676 0.905 [OK] 4471 38 B VAL CA 3 C4H1s 0.770 1.880 2.858 14.351 13.123 1.094 [OK] 4472 38 B VAL C 1 C3H0s 0.770 1.610 2.706 8.072 8.563 0.943 [OK] 4473 38 B VAL O 16 O1H0u 0.660 1.420 2.545 13.863 16.181 0.857 [OK] 4474 38 B VAL CB 4 C4H1b 0.770 1.880 3.403 16.116 14.598 1.104 possible 4475 38 B VAL CG1 10 C4H3u 0.770 1.880 3.300 42.931 36.584 1.173 possible 4476 38 B VAL CG2 10 C4H3u 0.770 1.880 3.133 36.613 36.332 1.008 possible 4477 39 B LEU N 12 N3H1s 0.700 1.640 3.138 13.446 13.655 0.985 possible 4478 39 B LEU CA 3 C4H1s 0.770 1.880 3.522 14.251 13.122 1.086 possible 4479 39 B LEU C 1 C3H0s 0.770 1.610 2.586 7.993 8.825 0.906 [OK] 4480 39 B LEU O 16 O1H0u 0.660 1.420 2.378 12.679 16.208 0.782 [OK] 4481 39 B LEU CB 8 C4H2s 0.770 1.880 3.704 24.620 22.951 1.073 possible 4482 39 B LEU CG 4 C4H1b 0.770 1.880 3.577 16.876 14.764 1.143 possible 4483 39 B LEU CD1 10 C4H3u 0.770 1.880 3.979 50.019 37.425 1.337 possible 4484 39 B LEU CD2 10 C4H3u 0.770 1.880 4.776 63.548 37.143 1.711 possible 4485 40 B TYR N 12 N3H1s 0.700 1.640 2.370 12.539 13.691 0.916 [OK] 4486 40 B TYR CA 3 C4H1s 0.770 1.880 3.387 13.159 13.330 0.987 possible 4487 40 B TYR C 1 C3H0s 0.770 1.610 4.372 9.577 8.770 1.092 possible 4488 40 B TYR O 16 O1H0u 0.660 1.420 4.490 23.259 16.124 1.442 possible 4489 40 B TYR CB 8 C4H2s 0.770 1.880 19.260 -1.000 23.678 -1.000 bad 4490 40 B TYR CG 2 C3H0b 0.770 1.610 4.802 16.598 9.732 1.705 possible 4491 40 B TYR CD1 5 C3H1s 0.770 1.760 4.828 27.580 20.171 1.367 possible 4492 40 B TYR CD2 5 C3H1s 0.770 1.760 27.780 -1.000 20.728 -1.000 bad 4493 40 B TYR CE1 5 C3H1s 0.770 1.760 5.785 56.161 20.675 2.716 possible 4494 40 B TYR CE2 5 C3H1s 0.770 1.760 28.535 -1.000 20.810 -1.000 bad 4495 40 B TYR CZ 2 C3H0b 0.770 1.610 7.332 19.645 9.926 1.979 possible 4496 40 B TYR OH 17 O2H1u 0.660 1.460 40.422 -1.000 19.173 -1.000 bad 4497 41 B ILE N 12 N3H1s 0.700 1.640 4.417 15.414 13.633 1.131 possible 4498 41 B ILE CA 3 C4H1s 0.770 1.880 4.778 19.928 13.007 1.532 possible 4499 41 B ILE C 1 C3H0s 0.770 1.610 2.530 7.536 8.470 0.890 [OK] 4500 41 B ILE O 16 O1H0u 0.660 1.420 3.391 16.008 16.144 0.992 possible 4501 41 B ILE CB 4 C4H1b 0.770 1.880 2.967 14.389 14.227 1.011 [OK] 4502 41 B ILE CG1 9 C4H2b 0.770 1.880 15.951 -1.000 24.187 -1.000 bad 4503 41 B ILE CG2 10 C4H3u 0.770 1.880 4.549 41.465 35.961 1.153 possible 4504 41 B ILE CD1 10 C4H3u 0.770 1.880 6.487 52.813 38.377 1.376 possible 4505 42 B ILE N 12 N3H1s 0.700 1.640 2.543 12.297 13.633 0.902 [OK] 4506 42 B ILE CA 3 C4H1s 0.770 1.880 2.919 13.828 13.007 1.063 [OK] 4507 42 B ILE C 1 C3H0s 0.770 1.610 2.223 8.103 8.470 0.957 [OK] 4508 42 B ILE O 16 O1H0u 0.660 1.420 2.804 15.590 16.144 0.966 [OK] 4509 42 B ILE CB 4 C4H1b 0.770 1.880 2.748 12.014 14.227 0.844 [OK] 4510 42 B ILE CG1 9 C4H2b 0.770 1.880 3.083 22.106 24.187 0.914 possible 4511 42 B ILE CG2 10 C4H3u 0.770 1.880 3.259 44.762 35.961 1.245 possible 4512 42 B ILE CD1 10 C4H3u 0.770 1.880 4.524 52.133 38.377 1.358 possible 4513 43 B THR N 12 N3H1s 0.700 1.640 2.272 11.415 13.832 0.825 [OK] 4514 43 B THR CA 3 C4H1s 0.770 1.880 4.075 16.362 13.099 1.249 possible 4515 43 B THR C 1 C3H0s 0.770 1.610 2.829 8.251 8.738 0.944 [OK] 4516 43 B THR O 16 O1H0u 0.660 1.420 2.853 13.318 16.020 0.831 [OK] 4517 43 B THR CB 4 C4H1b 0.770 1.880 4.380 18.440 14.829 1.244 possible 4518 43 B THR OG1 17 O2H1u 0.660 1.460 4.240 38.382 18.123 2.118 possible 4519 43 B THR CG2 10 C4H3u 0.770 1.880 7.621 139.491 36.542 3.817 possible 4520 44 B ALA N 12 N3H1s 0.700 1.640 4.658 15.095 14.046 1.075 possible 4521 44 B ALA CA 4 C4H1b 0.770 1.880 6.323 31.165 14.063 2.216 possible 4522 44 B ALA C 1 C3H0s 0.770 1.610 3.888 9.656 8.900 1.085 possible 4523 44 B ALA O 16 O1H0u 0.660 1.420 5.072 23.198 16.188 1.433 possible 4524 44 B ALA CB 10 C4H3u 0.770 1.880 47.060 -1.000 36.782 -1.000 bad 4525 45 B VAL N 12 N3H1s 0.700 1.640 4.330 14.630 13.676 1.070 possible 4526 45 B VAL CA 3 C4H1s 0.770 1.880 4.489 17.372 13.123 1.324 possible 4527 45 B VAL C 1 C3H0s 0.770 1.610 2.557 7.328 8.563 0.856 [OK] 4528 45 B VAL O 16 O1H0u 0.660 1.420 2.613 15.296 16.181 0.945 [OK] 4529 45 B VAL CB 4 C4H1b 0.770 1.880 2.909 14.932 14.598 1.023 [OK] 4530 45 B VAL CG1 10 C4H3u 0.770 1.880 3.999 46.232 36.584 1.264 possible 4531 45 B VAL CG2 10 C4H3u 0.770 1.880 4.928 53.963 36.332 1.485 possible 4532 46 B THR N 12 N3H1s 0.700 1.640 2.707 12.951 13.832 0.936 [OK] 4533 46 B THR CA 3 C4H1s 0.770 1.880 2.911 14.685 13.099 1.121 [OK] 4534 46 B THR C 1 C3H0s 0.770 1.610 2.851 8.004 8.738 0.916 [OK] 4535 46 B THR O 16 O1H0u 0.660 1.420 2.986 16.338 16.020 1.020 [OK] 4536 46 B THR CB 4 C4H1b 0.770 1.880 4.347 17.628 14.829 1.189 possible 4537 46 B THR OG1 17 O2H1u 0.660 1.460 3.979 28.183 18.123 1.555 possible 4538 46 B THR CG2 10 C4H3u 0.770 1.880 4.692 70.007 36.542 1.916 possible 4539 47 B ILE N 12 N3H1s 0.700 1.640 2.955 12.222 13.633 0.897 [OK] 4540 47 B ILE CA 3 C4H1s 0.770 1.880 3.510 14.719 13.007 1.132 possible 4541 47 B ILE C 1 C3H0s 0.770 1.610 2.754 8.182 8.470 0.966 [OK] 4542 47 B ILE O 16 O1H0u 0.660 1.420 2.792 13.731 16.144 0.851 [OK] 4543 47 B ILE CB 4 C4H1b 0.770 1.880 5.508 22.561 14.227 1.586 possible 4544 47 B ILE CG1 9 C4H2b 0.770 1.880 8.410 -1.000 24.187 -1.000 bad 4545 47 B ILE CG2 10 C4H3u 0.770 1.880 29.637 -1.000 35.961 -1.000 bad 4546 47 B ILE CD1 10 C4H3u 0.770 1.880 47.724 -1.000 38.377 -1.000 bad 4547 48 B PHE N 12 N3H1s 0.700 1.640 4.462 15.157 13.691 1.107 possible 4548 48 B PHE CA 3 C4H1s 0.770 1.880 5.036 17.676 13.449 1.314 possible 4549 48 B PHE C 1 C3H0s 0.770 1.610 2.431 7.981 8.753 0.912 [OK] 4550 48 B PHE O 16 O1H0u 0.660 1.420 2.705 14.506 16.151 0.898 [OK] 4551 48 B PHE CB 8 C4H2s 0.770 1.880 5.742 42.112 23.777 1.771 possible 4552 48 B PHE CG 2 C3H0b 0.770 1.610 5.996 17.777 9.721 1.829 possible 4553 48 B PHE CD1 5 C3H1s 0.770 1.760 12.811 -1.000 20.405 -1.000 bad 4554 48 B PHE CD2 6 C3H1b 0.770 1.760 5.438 43.204 21.051 2.052 possible 4555 48 B PHE CE1 6 C3H1b 0.770 1.760 23.597 -1.000 21.580 -1.000 bad 4556 48 B PHE CE2 6 C3H1b 0.770 1.760 5.440 46.290 21.680 2.135 possible 4557 48 B PHE CZ 6 C3H1b 0.770 1.760 7.723 91.068 21.666 4.203 possible 4558 49 B VAL N 12 N3H1s 0.700 1.640 2.583 13.295 13.676 0.972 [OK] 4559 49 B VAL CA 3 C4H1s 0.770 1.880 2.877 14.774 13.123 1.126 [OK] 4560 49 B VAL C 1 C3H0s 0.770 1.610 2.425 7.480 8.563 0.874 [OK] 4561 49 B VAL O 16 O1H0u 0.660 1.420 2.499 15.561 16.181 0.962 [OK] 4562 49 B VAL CB 4 C4H1b 0.770 1.880 3.569 19.806 14.598 1.357 possible 4563 49 B VAL CG1 10 C4H3u 0.770 1.880 3.237 47.088 36.584 1.287 possible 4564 49 B VAL CG2 10 C4H3u 0.770 1.880 3.617 46.235 36.332 1.273 possible 4565 50 B CYS N 12 N3H1s 0.700 1.640 2.554 11.433 13.981 0.818 [OK] 4566 50 B CYS CA 3 C4H1s 0.770 1.880 3.118 15.701 13.656 1.150 possible 4567 50 B CYS C 1 C3H0s 0.770 1.610 3.180 9.307 8.897 1.046 possible 4568 50 B CYS O 16 O1H0u 0.660 1.420 3.452 20.916 16.543 1.264 possible 4569 50 B CYS CB 9 C4H2b 0.770 1.880 4.180 29.513 23.536 1.254 possible 4570 50 B CYS SG 20 S2H1u 1.040 1.770 34.094 -1.000 34.603 -1.000 bad 4571 51 B LEU N 12 N3H1s 0.700 1.640 2.734 11.823 13.655 0.866 [OK] 4572 51 B LEU CA 3 C4H1s 0.770 1.880 3.091 13.469 13.122 1.026 possible 4573 51 B LEU C 1 C3H0s 0.770 1.610 2.494 8.541 8.825 0.968 [OK] 4574 51 B LEU O 16 O1H0u 0.660 1.420 3.302 15.210 16.208 0.938 possible 4575 51 B LEU CB 8 C4H2s 0.770 1.880 4.174 30.578 22.951 1.332 possible 4576 51 B LEU CG 4 C4H1b 0.770 1.880 2.662 13.544 14.764 0.917 [OK] 4577 51 B LEU CD1 10 C4H3u 0.770 1.880 49.968 -1.000 37.425 -1.000 bad 4578 51 B LEU CD2 10 C4H3u 0.770 1.880 41.315 -1.000 37.143 -1.000 bad 4579 52 B LEU N 12 N3H1s 0.700 1.640 2.944 14.264 13.655 1.045 [OK] 4580 52 B LEU CA 3 C4H1s 0.770 1.880 2.803 13.886 13.122 1.058 [OK] 4581 52 B LEU C 1 C3H0s 0.770 1.610 2.752 8.467 8.825 0.959 [OK] 4582 52 B LEU O 16 O1H0u 0.660 1.420 2.548 15.441 16.208 0.953 [OK] 4583 52 B LEU CB 8 C4H2s 0.770 1.880 2.799 22.120 22.951 0.964 [OK] 4584 52 B LEU CG 4 C4H1b 0.770 1.880 3.087 14.722 14.764 0.997 possible 4585 52 B LEU CD1 10 C4H3u 0.770 1.880 3.180 38.334 37.425 1.024 possible 4586 52 B LEU CD2 10 C4H3u 0.770 1.880 7.072 74.547 37.143 2.007 possible 4587 53 B LEU N 12 N3H1s 0.700 1.640 2.789 13.368 13.655 0.979 [OK] 4588 53 B LEU CA 3 C4H1s 0.770 1.880 2.988 13.634 13.122 1.039 [OK] 4589 53 B LEU C 1 C3H0s 0.770 1.610 2.697 8.201 8.825 0.929 [OK] 4590 53 B LEU O 16 O1H0u 0.660 1.420 2.384 14.367 16.208 0.886 [OK] 4591 53 B LEU CB 8 C4H2s 0.770 1.880 4.077 29.218 22.951 1.273 possible 4592 53 B LEU CG 4 C4H1b 0.770 1.880 3.152 13.811 14.764 0.935 possible 4593 53 B LEU CD1 10 C4H3u 0.770 1.880 4.255 58.272 37.425 1.557 possible 4594 53 B LEU CD2 10 C4H3u 0.770 1.880 3.137 35.949 37.143 0.968 possible 4595 54 B LEU N 12 N3H1s 0.700 1.640 2.733 12.453 13.655 0.912 [OK] 4596 54 B LEU CA 3 C4H1s 0.770 1.880 2.752 12.242 13.122 0.933 [OK] 4597 54 B LEU C 1 C3H0s 0.770 1.610 3.491 9.167 8.825 1.039 possible 4598 54 B LEU O 16 O1H0u 0.660 1.420 3.106 17.498 16.208 1.080 possible 4599 54 B LEU CB 8 C4H2s 0.770 1.880 4.522 30.665 22.951 1.336 possible 4600 54 B LEU CG 4 C4H1b 0.770 1.880 5.852 26.095 14.764 1.767 possible 4601 54 B LEU CD1 10 C4H3u 0.770 1.880 32.151 -1.000 37.425 -1.000 bad 4602 54 B LEU CD2 10 C4H3u 0.770 1.880 61.117 -1.000 37.143 -1.000 bad 4603 55 B ILE N 12 N3H1s 0.700 1.640 3.262 12.555 13.633 0.921 possible 4604 55 B ILE CA 3 C4H1s 0.770 1.880 3.243 13.418 13.007 1.032 possible 4605 55 B ILE C 1 C3H0s 0.770 1.610 2.235 7.513 8.470 0.887 [OK] 4606 55 B ILE O 16 O1H0u 0.660 1.420 2.666 14.192 16.144 0.879 [OK] 4607 55 B ILE CB 4 C4H1b 0.770 1.880 2.762 13.038 14.227 0.916 [OK] 4608 55 B ILE CG1 9 C4H2b 0.770 1.880 20.341 -1.000 24.187 -1.000 bad 4609 55 B ILE CG2 10 C4H3u 0.770 1.880 6.265 53.596 35.961 1.490 possible 4610 55 B ILE CD1 10 C4H3u 0.770 1.880 40.471 -1.000 38.377 -1.000 bad 4611 56 B CYS N 12 N3H1s 0.700 1.640 2.520 12.957 13.981 0.927 [OK] 4612 56 B CYS CA 3 C4H1s 0.770 1.880 2.496 12.253 13.656 0.897 [OK] 4613 56 B CYS C 1 C3H0s 0.770 1.610 2.736 8.511 8.897 0.957 [OK] 4614 56 B CYS O 16 O1H0u 0.660 1.420 2.554 17.556 16.543 1.061 [OK] 4615 56 B CYS CB 9 C4H2b 0.770 1.880 2.917 25.491 23.536 1.083 [OK] 4616 56 B CYS SG 20 S2H1u 1.040 1.770 2.876 39.289 34.603 1.135 [OK] 4617 57 B ILE N 12 N3H1s 0.700 1.640 2.644 12.560 13.633 0.921 [OK] 4618 57 B ILE CA 3 C4H1s 0.770 1.880 2.695 12.828 13.007 0.986 [OK] 4619 57 B ILE C 1 C3H0s 0.770 1.610 2.525 8.131 8.470 0.960 [OK] 4620 57 B ILE O 16 O1H0u 0.660 1.420 5.392 31.333 16.144 1.941 possible 4621 57 B ILE CB 4 C4H1b 0.770 1.880 3.392 15.008 14.227 1.055 possible 4622 57 B ILE CG1 9 C4H2b 0.770 1.880 2.961 20.251 24.187 0.837 [OK] 4623 57 B ILE CG2 10 C4H3u 0.770 1.880 7.235 91.302 35.961 2.539 possible 4624 57 B ILE CD1 10 C4H3u 0.770 1.880 5.291 55.242 38.377 1.439 possible 4625 58 B VAL N 12 N3H1s 0.700 1.640 2.546 12.406 13.676 0.907 [OK] 4626 58 B VAL CA 3 C4H1s 0.770 1.880 4.689 15.700 13.123 1.196 possible 4627 58 B VAL C 1 C3H0s 0.770 1.610 3.985 9.802 8.563 1.145 possible 4628 58 B VAL O 16 O1H0u 0.660 1.420 12.132 -1.000 16.181 -1.000 bad 4629 58 B VAL CB 4 C4H1b 0.770 1.880 11.326 -1.000 14.598 -1.000 bad 4630 58 B VAL CG1 10 C4H3u 0.770 1.880 54.787 -1.000 36.584 -1.000 bad 4631 58 B VAL CG2 10 C4H3u 0.770 1.880 22.877 -1.000 36.332 -1.000 bad 4632 59 B ARG N 12 N3H1s 0.700 1.640 3.800 13.466 13.650 0.987 possible 4633 59 B ARG CA 3 C4H1s 0.770 1.880 4.496 16.628 13.422 1.239 possible 4634 59 B ARG C 1 C3H0s 0.770 1.610 2.389 9.344 8.838 1.057 [OK] 4635 59 B ARG O 16 O1H0u 0.660 1.420 2.629 16.501 16.084 1.026 [OK] 4636 59 B ARG CB 8 C4H2s 0.770 1.880 7.642 54.406 23.088 2.356 possible 4637 59 B ARG CG 8 C4H2s 0.770 1.880 11.877 -1.000 23.640 -1.000 bad 4638 59 B ARG CD 8 C4H2s 0.770 1.880 27.403 -1.000 23.300 -1.000 bad 4639 59 B ARG NE 13 N3H1b 0.700 1.640 16.412 -1.000 15.569 -1.000 bad 4640 59 B ARG CZ 2 C3H0b 0.770 1.610 2.108 -1.000 9.747 -1.000 bad 4641 59 B ARG NH1 15 N3H2u 0.700 1.640 13.560 -1.000 22.782 -1.000 bad 4642 59 B ARG NH2 15 N3H2u 0.700 1.640 49.208 -1.000 23.810 -1.000 bad 4643 60 B PHE N 12 N3H1s 0.700 1.640 2.476 14.493 13.691 1.059 [OK] 4644 60 B PHE CA 3 C4H1s 0.770 1.880 2.706 11.788 13.449 0.876 [OK] 4645 60 B PHE C 1 C3H0s 0.770 1.610 2.646 9.653 8.753 1.103 [OK] 4646 60 B PHE O 16 O1H0u 0.660 1.420 2.368 13.258 16.151 0.821 [OK] 4647 60 B PHE CB 8 C4H2s 0.770 1.880 2.768 20.323 23.777 0.855 [OK] 4648 60 B PHE CG 2 C3H0b 0.770 1.610 2.317 9.332 9.721 0.960 [OK] 4649 60 B PHE CD1 5 C3H1s 0.770 1.760 2.941 17.123 20.405 0.839 [OK] 4650 60 B PHE CD2 6 C3H1b 0.770 1.760 2.694 19.614 21.051 0.932 [OK] 4651 60 B PHE CE1 6 C3H1b 0.770 1.760 6.502 52.743 21.580 2.444 possible 4652 60 B PHE CE2 6 C3H1b 0.770 1.760 2.768 19.162 21.680 0.884 [OK] 4653 60 B PHE CZ 6 C3H1b 0.770 1.760 6.070 42.278 21.666 1.951 possible 4654 61 B ASN N 12 N3H1s 0.700 1.640 2.762 15.500 13.695 1.132 [OK] 4655 61 B ASN CA 3 C4H1s 0.770 1.880 2.904 13.385 13.167 1.017 [OK] 4656 61 B ASN C 1 C3H0s 0.770 1.610 2.117 8.189 8.928 0.917 [OK] 4657 61 B ASN O 16 O1H0u 0.660 1.420 2.308 13.584 16.199 0.839 [OK] 4658 61 B ASN CB 8 C4H2s 0.770 1.880 4.526 35.171 23.128 1.521 possible 4659 61 B ASN CG 2 C3H0b 0.770 1.610 4.066 11.582 9.599 1.207 possible 4660 61 B ASN OD1 16 O1H0u 0.660 1.420 4.671 24.054 16.664 1.443 possible 4661 61 B ASN ND2 15 N3H2u 0.700 1.640 24.041 -1.000 23.083 -1.000 bad 4662 62 B ARG N 12 N3H1s 0.700 1.640 3.760 14.372 13.650 1.053 possible 4663 62 B ARG CA 3 C4H1s 0.770 1.880 2.497 12.497 13.422 0.931 [OK] 4664 62 B ARG C 1 C3H0s 0.770 1.610 2.507 8.431 8.838 0.954 [OK] 4665 62 B ARG O 16 O1H0u 0.660 1.420 3.241 18.979 16.084 1.180 possible 4666 62 B ARG CB 8 C4H2s 0.770 1.880 4.857 32.172 23.088 1.393 possible 4667 62 B ARG CG 8 C4H2s 0.770 1.880 3.565 24.234 23.640 1.025 possible 4668 62 B ARG CD 8 C4H2s 0.770 1.880 6.244 38.476 23.300 1.651 possible 4669 62 B ARG NE 13 N3H1b 0.700 1.640 12.735 -1.000 15.569 -1.000 bad 4670 62 B ARG CZ 2 C3H0b 0.770 1.610 2.336 -1.000 9.747 -1.000 bad 4671 62 B ARG NH1 15 N3H2u 0.700 1.640 23.650 -1.000 22.782 -1.000 bad 4672 62 B ARG NH2 15 N3H2u 0.700 1.640 35.630 -1.000 23.810 -1.000 bad 4673 63 B ARG N 12 N3H1s 0.700 1.640 4.611 19.295 13.650 1.414 possible 4674 63 B ARG CA 3 C4H1s 0.770 1.880 3.759 16.371 13.422 1.220 possible 4675 63 B ARG C 1 C3H0s 0.770 1.610 3.099 8.931 8.838 1.011 possible 4676 63 B ARG O 16 O1H0u 0.660 1.420 16.454 -1.000 16.084 -1.000 bad 4677 63 B ARG CB 8 C4H2s 0.770 1.880 5.006 32.821 23.088 1.422 possible 4678 63 B ARG CG 8 C4H2s 0.770 1.880 28.493 -1.000 23.640 -1.000 bad 4679 63 B ARG CD 8 C4H2s 0.770 1.880 32.771 -1.000 23.300 -1.000 bad 4680 63 B ARG NE 13 N3H1b 0.700 1.640 17.730 -1.000 15.569 -1.000 bad 4681 63 B ARG CZ 2 C3H0b 0.770 1.610 2.050 -1.000 9.747 -1.000 bad 4682 63 B ARG NH1 15 N3H2u 0.700 1.640 7.942 66.361 22.782 2.913 possible 4683 63 B ARG NH2 15 N3H2u 0.700 1.640 59.358 -1.000 23.810 -1.000 bad 4684 64 B ALA N 12 N3H1s 0.700 1.640 3.416 13.672 14.046 0.973 possible 4685 64 B ALA CA 4 C4H1b 0.770 1.880 9.025 -1.000 14.063 -1.000 bad 4686 64 B ALA C 1 C3H0s 0.770 1.610 2.506 9.133 8.900 1.026 [OK] 4687 64 B ALA O 16 O1H0u 0.660 1.420 16.321 -1.000 16.188 -1.000 bad 4688 64 B ALA CB 10 C4H3u 0.770 1.880 17.530 -1.000 36.782 -1.000 bad 4689 65 B ASN N 12 N3H1s 0.700 1.640 2.499 13.427 13.695 0.980 [OK] 4690 65 B ASN CA 3 C4H1s 0.770 1.880 3.502 14.393 13.167 1.093 possible 4691 65 B ASN C 1 C3H0s 0.770 1.610 2.550 8.800 8.928 0.986 [OK] 4692 65 B ASN O 16 O1H0u 0.660 1.420 2.268 14.080 16.199 0.869 [OK] 4693 65 B ASN CB 8 C4H2s 0.770 1.880 2.651 22.019 23.128 0.952 [OK] 4694 65 B ASN CG 2 C3H0b 0.770 1.610 2.863 9.758 9.599 1.017 [OK] 4695 65 B ASN OD1 16 O1H0u 0.660 1.420 6.420 66.989 16.664 4.020 possible 4696 65 B ASN ND2 15 N3H2u 0.700 1.640 3.424 25.564 23.083 1.107 possible 4697 66 B PRO N 11 N3H0u 0.700 1.640 2.952 8.222 8.823 0.932 [OK] 4698 66 B PRO CA 4 C4H1b 0.770 1.880 2.790 14.854 13.955 1.064 [OK] 4699 66 B PRO C 1 C3H0s 0.770 1.610 2.288 8.973 8.812 1.018 [OK] 4700 66 B PRO O 16 O1H0u 0.660 1.420 7.937 64.778 16.169 4.006 possible 4701 66 B PRO CB 9 C4H2b 0.770 1.880 21.285 -1.000 25.563 -1.000 bad 4702 66 B PRO CG 9 C4H2b 0.770 1.880 28.065 -1.000 25.832 -1.000 bad 4703 66 B PRO CD 8 C4H2s 0.770 1.880 19.568 -1.000 23.836 -1.000 bad 4704 67 B VAL N 12 N3H1s 0.700 1.640 4.069 18.873 13.676 1.380 possible 4705 67 B VAL CA 3 C4H1s 0.770 1.880 3.374 11.445 13.123 0.872 possible 4706 67 B VAL C 1 C3H0s 0.770 1.610 2.409 8.315 8.563 0.971 [OK] 4707 67 B VAL O 16 O1H0u 0.660 1.420 10.932 -1.000 16.181 -1.000 bad 4708 67 B VAL CB 4 C4H1b 0.770 1.880 10.476 -1.000 14.598 -1.000 bad 4709 67 B VAL CG1 10 C4H3u 0.770 1.880 46.778 -1.000 36.584 -1.000 bad 4710 67 B VAL CG2 10 C4H3u 0.770 1.880 49.019 -1.000 36.332 -1.000 bad 4711 68 B PRO N 11 N3H0u 0.700 1.640 2.450 8.561 8.823 0.970 [OK] 4712 68 B PRO CA 4 C4H1b 0.770 1.880 2.674 14.085 13.955 1.009 [OK] 4713 68 B PRO C 1 C3H0s 0.770 1.610 2.483 7.773 8.812 0.882 [OK] 4714 68 B PRO O 16 O1H0u 0.660 1.420 4.953 27.130 16.169 1.678 possible 4715 68 B PRO CB 9 C4H2b 0.770 1.880 3.021 23.326 25.563 0.912 possible 4716 68 B PRO CG 9 C4H2b 0.770 1.880 4.862 44.015 25.832 1.704 possible 4717 68 B PRO CD 8 C4H2s 0.770 1.880 5.166 41.233 23.836 1.730 possible 4718 69 B ALA N 12 N3H1s 0.700 1.640 3.471 18.623 14.046 1.326 possible 4719 69 B ALA CA 4 C4H1b 0.770 1.880 7.550 44.163 14.063 3.140 possible 4720 69 B ALA C 1 C3H0s 0.770 1.610 2.996 9.775 8.900 1.098 [OK] 4721 69 B ALA O 16 O1H0u 0.660 1.420 2.933 19.036 16.188 1.176 [OK] 4722 69 B ALA CB 10 C4H3u 0.770 1.880 26.937 -1.000 36.782 -1.000 bad 4723 70 B ARG N 12 N3H1s 0.700 1.640 7.218 31.941 13.650 2.340 possible 4724 70 B ARG CA 3 C4H1s 0.770 1.880 2.912 14.168 13.422 1.056 [OK] 4725 70 B ARG C 1 C3H0s 0.770 1.610 4.025 12.689 8.838 1.436 possible 4726 70 B ARG O 16 O1H0u 0.660 1.420 11.233 -1.000 16.084 -1.000 bad 4727 70 B ARG CB 8 C4H2s 0.770 1.880 25.090 -1.000 23.088 -1.000 bad 4728 70 B ARG CG 8 C4H2s 0.770 1.880 14.523 -1.000 23.640 -1.000 bad 4729 70 B ARG CD 8 C4H2s 0.770 1.880 7.635 44.719 23.300 1.919 possible 4730 70 B ARG NE 13 N3H1b 0.700 1.640 3.867 29.939 15.569 1.923 possible 4731 70 B ARG CZ 2 C3H0b 0.770 1.610 5.903 17.924 9.747 1.839 possible 4732 70 B ARG NH1 15 N3H2u 0.700 1.640 49.623 -1.000 22.782 -1.000 bad 4733 70 B ARG NH2 15 N3H2u 0.700 1.640 50.382 -1.000 23.810 -1.000 bad 4734 71 B PHE N 12 N3H1s 0.700 1.640 3.632 19.067 13.691 1.393 possible 4735 71 B PHE CA 3 C4H1s 0.770 1.880 5.029 22.566 13.449 1.678 possible 4736 71 B PHE C 1 C3H0s 0.770 1.610 2.503 8.561 8.753 0.978 [OK] 4737 71 B PHE O 16 O1H0u 0.660 1.420 2.732 22.425 16.151 1.388 [OK] 4738 71 B PHE CB 8 C4H2s 0.770 1.880 3.919 30.047 23.777 1.264 possible 4739 71 B PHE CG 2 C3H0b 0.770 1.610 2.371 9.413 9.721 0.968 [OK] 4740 71 B PHE CD1 5 C3H1s 0.770 1.760 3.599 22.325 20.405 1.094 possible 4741 71 B PHE CD2 6 C3H1b 0.770 1.760 3.119 21.454 21.051 1.019 possible 4742 71 B PHE CE1 6 C3H1b 0.770 1.760 6.406 37.448 21.580 1.735 possible 4743 71 B PHE CE2 6 C3H1b 0.770 1.760 2.679 19.572 21.680 0.903 [OK] 4744 71 B PHE CZ 6 C3H1b 0.770 1.760 2.818 17.721 21.666 0.818 [OK] 4745 72 B THR N 12 N3H1s 0.700 1.640 4.727 22.423 13.832 1.621 possible 4746 72 B THR CA 3 C4H1s 0.770 1.880 3.138 15.054 13.099 1.149 possible 4747 72 B THR C 1 C3H0s 0.770 1.610 2.358 9.425 8.738 1.079 [OK] 4748 72 B THR O 16 O1H0u 0.660 1.420 4.599 25.170 16.020 1.571 possible 4749 72 B THR CB 4 C4H1b 0.770 1.880 4.933 21.324 14.829 1.438 possible 4750 72 B THR OG1 17 O2H1u 0.660 1.460 22.821 -1.000 18.123 -1.000 bad 4751 72 B THR CG2 10 C4H3u 0.770 1.880 20.929 -1.000 36.542 -1.000 bad 4752 73 B HIS N 12 N3H1s 0.700 1.640 2.759 15.729 13.715 1.147 [OK] 4753 73 B HIS CA 3 C4H1s 0.770 1.880 2.722 13.058 13.467 0.970 [OK] 4754 73 B HIS C 1 C3H0s 0.770 1.610 2.521 8.739 8.882 0.984 [OK] 4755 73 B HIS O 16 O1H0u 0.660 1.420 5.050 36.780 16.082 2.287 possible 4756 73 B HIS CB 8 C4H2s 0.770 1.880 4.814 36.632 23.653 1.549 possible 4757 73 B HIS CG 2 C3H0b 0.770 1.610 5.974 18.174 9.952 1.826 possible 4758 73 B HIS ND1 13 N3H1b 0.700 1.640 7.423 31.864 15.506 2.055 possible 4759 73 B HIS CD2 5 C3H1s 0.770 1.760 11.521 -1.000 21.085 -1.000 bad 4760 73 B HIS CE1 5 C3H1s 0.770 1.760 41.095 -1.000 20.636 -1.000 bad 4761 73 B HIS NE2 13 N3H1b 0.700 1.640 30.675 -1.000 15.337 -1.000 bad 4762 74 B ASN N 12 N3H1s 0.700 1.640 2.657 15.540 13.695 1.135 [OK] 4763 74 B ASN CA 3 C4H1s 0.770 1.880 5.578 23.724 13.167 1.802 possible 4764 74 B ASN C 1 C3H0s 0.770 1.610 2.972 9.654 8.928 1.081 [OK] 4765 74 B ASN O 16 O1H0u 0.660 1.420 2.168 10.526 16.199 0.650 [OK] 4766 74 B ASN CB 8 C4H2s 0.770 1.880 3.219 25.316 23.128 1.095 possible 4767 74 B ASN CG 2 C3H0b 0.770 1.610 3.816 11.709 9.599 1.220 possible 4768 74 B ASN OD1 16 O1H0u 0.660 1.420 14.407 -1.000 16.664 -1.000 bad 4769 74 B ASN ND2 15 N3H2u 0.700 1.640 22.089 -1.000 23.083 -1.000 bad 4770 75 B THR N 12 N3H1s 0.700 1.640 3.420 17.006 13.832 1.229 possible 4771 75 B THR CA 3 C4H1s 0.770 1.880 2.543 12.213 13.099 0.932 [OK] 4772 75 B THR C 1 C3H0s 0.770 1.610 3.566 9.039 8.738 1.034 possible 4773 75 B THR O 16 O1H0u 0.660 1.420 3.208 14.544 16.020 0.908 possible 4774 75 B THR CB 4 C4H1b 0.770 1.880 12.523 -1.000 14.829 -1.000 bad 4775 75 B THR OG1 17 O2H1u 0.660 1.460 24.581 -1.000 18.123 -1.000 bad 4776 75 B THR CG2 10 C4H3u 0.770 1.880 34.983 -1.000 36.542 -1.000 bad 4777 76 B PRO N 11 N3H0u 0.700 1.640 4.325 9.681 8.823 1.097 possible 4778 76 B PRO CA 4 C4H1b 0.770 1.880 6.339 27.711 13.955 1.986 possible 4779 76 B PRO C 1 C3H0s 0.770 1.610 3.520 9.295 8.812 1.055 possible 4780 76 B PRO O 16 O1H0u 0.660 1.420 4.179 19.579 16.169 1.211 possible 4781 76 B PRO CB 9 C4H2b 0.770 1.880 38.016 -1.000 25.563 -1.000 bad 4782 76 B PRO CG 9 C4H2b 0.770 1.880 24.748 -1.000 25.832 -1.000 bad 4783 76 B PRO CD 8 C4H2s 0.770 1.880 18.795 -1.000 23.836 -1.000 bad 4784 77 B ILE N 12 N3H1s 0.700 1.640 4.359 15.811 13.633 1.160 possible 4785 77 B ILE CA 3 C4H1s 0.770 1.880 3.772 13.724 13.007 1.055 possible 4786 77 B ILE C 1 C3H0s 0.770 1.610 2.396 7.864 8.470 0.928 [OK] 4787 77 B ILE O 16 O1H0u 0.660 1.420 2.249 13.128 16.144 0.813 [OK] 4788 77 B ILE CB 4 C4H1b 0.770 1.880 4.016 19.378 14.227 1.362 possible 4789 77 B ILE CG1 9 C4H2b 0.770 1.880 3.896 27.235 24.187 1.126 possible 4790 77 B ILE CG2 10 C4H3u 0.770 1.880 3.193 35.384 35.961 0.984 possible 4791 77 B ILE CD1 10 C4H3u 0.770 1.880 34.863 -1.000 38.377 -1.000 bad 4792 78 B GLU N 12 N3H1s 0.700 1.640 2.656 12.167 13.615 0.894 [OK] 4793 78 B GLU CA 3 C4H1s 0.770 1.880 2.829 13.534 13.399 1.010 [OK] 4794 78 B GLU C 1 C3H0s 0.770 1.610 3.875 8.964 8.675 1.033 possible 4795 78 B GLU O 16 O1H0u 0.660 1.420 3.835 17.357 16.023 1.083 possible 4796 78 B GLU CB 8 C4H2s 0.770 1.880 4.698 27.123 23.529 1.153 possible 4797 78 B GLU CG 8 C4H2s 0.770 1.880 7.651 72.107 23.513 3.067 possible 4798 78 B GLU CD 2 C3H0b 0.770 1.610 2.627 10.004 9.460 1.057 [OK] 4799 78 B GLU OE1 16 O1H0u 0.660 1.420 3.095 25.121 15.999 1.570 possible 4800 78 B GLU OE2 16 O1H0u 0.660 1.420 2.573 22.492 17.432 1.290 [OK] 4801 79 B VAL N 12 N3H1s 0.700 1.640 3.235 12.128 13.676 0.887 possible 4802 79 B VAL CA 3 C4H1s 0.770 1.880 4.168 16.700 13.123 1.273 possible 4803 79 B VAL C 1 C3H0s 0.770 1.610 2.658 8.186 8.563 0.956 [OK] 4804 79 B VAL O 16 O1H0u 0.660 1.420 2.695 14.503 16.181 0.896 [OK] 4805 79 B VAL CB 4 C4H1b 0.770 1.880 4.517 17.503 14.598 1.199 possible 4806 79 B VAL CG1 10 C4H3u 0.770 1.880 29.876 -1.000 36.584 -1.000 bad 4807 79 B VAL CG2 10 C4H3u 0.770 1.880 42.411 -1.000 36.332 -1.000 bad 4808 80 B ILE N 12 N3H1s 0.700 1.640 2.632 12.317 13.633 0.903 [OK] 4809 80 B ILE CA 3 C4H1s 0.770 1.880 3.266 13.535 13.007 1.041 possible 4810 80 B ILE C 1 C3H0s 0.770 1.610 2.455 7.181 8.470 0.848 [OK] 4811 80 B ILE O 16 O1H0u 0.660 1.420 3.127 16.749 16.144 1.037 possible 4812 80 B ILE CB 4 C4H1b 0.770 1.880 2.681 12.870 14.227 0.905 [OK] 4813 80 B ILE CG1 9 C4H2b 0.770 1.880 15.390 -1.000 24.187 -1.000 bad 4814 80 B ILE CG2 10 C4H3u 0.770 1.880 28.932 -1.000 35.961 -1.000 bad 4815 80 B ILE CD1 10 C4H3u 0.770 1.880 49.110 -1.000 38.377 -1.000 bad 4816 81 B TRP N 12 N3H1s 0.700 1.640 2.687 12.947 13.791 0.939 [OK] 4817 81 B TRP CA 3 C4H1s 0.770 1.880 3.910 18.891 13.377 1.412 possible 4818 81 B TRP C 1 C3H0s 0.770 1.610 2.503 8.907 8.724 1.021 [OK] 4819 81 B TRP O 16 O1H0u 0.660 1.420 2.967 21.191 15.951 1.328 [OK] 4820 81 B TRP CB 8 C4H2s 0.770 1.880 4.315 39.052 24.004 1.627 possible 4821 81 B TRP CG 2 C3H0b 0.770 1.610 2.322 9.877 9.965 0.991 [OK] 4822 81 B TRP CD1 5 C3H1s 0.770 1.760 2.776 17.942 20.874 0.860 [OK] 4823 81 B TRP CD2 2 C3H0b 0.770 1.610 2.346 9.926 10.097 0.983 [OK] 4824 81 B TRP NE1 13 N3H1b 0.700 1.640 2.720 19.284 16.969 1.136 [OK] 4825 81 B TRP CE2 2 C3H0b 0.770 1.610 2.513 10.654 9.889 1.077 [OK] 4826 81 B TRP CE3 6 C3H1b 0.770 1.760 3.063 19.483 20.448 0.953 possible 4827 81 B TRP CZ2 6 C3H1b 0.770 1.760 2.801 22.214 21.012 1.057 [OK] 4828 81 B TRP CZ3 6 C3H1b 0.770 1.760 3.074 21.010 21.516 0.976 possible 4829 81 B TRP CH2 6 C3H1b 0.770 1.760 2.983 19.003 21.339 0.891 [OK] 4830 82 B THR N 12 N3H1s 0.700 1.640 2.235 11.930 13.832 0.862 [OK] 4831 82 B THR CA 3 C4H1s 0.770 1.880 3.444 15.619 13.099 1.192 possible 4832 82 B THR C 1 C3H0s 0.770 1.610 2.513 7.856 8.738 0.899 [OK] 4833 82 B THR O 16 O1H0u 0.660 1.420 2.804 17.901 16.020 1.117 [OK] 4834 82 B THR CB 4 C4H1b 0.770 1.880 3.601 14.787 14.829 0.997 possible 4835 82 B THR OG1 17 O2H1u 0.660 1.460 6.000 37.306 18.123 2.058 possible 4836 82 B THR CG2 10 C4H3u 0.770 1.880 31.808 -1.000 36.542 -1.000 bad 4837 83 B LEU N 12 N3H1s 0.700 1.640 2.610 12.522 13.655 0.917 [OK] 4838 83 B LEU CA 3 C4H1s 0.770 1.880 3.104 13.850 13.122 1.055 possible 4839 83 B LEU C 1 C3H0s 0.770 1.610 2.750 8.788 8.825 0.996 [OK] 4840 83 B LEU O 16 O1H0u 0.660 1.420 2.972 15.500 16.208 0.956 [OK] 4841 83 B LEU CB 8 C4H2s 0.770 1.880 4.764 36.213 22.951 1.578 possible 4842 83 B LEU CG 4 C4H1b 0.770 1.880 2.929 13.522 14.764 0.916 [OK] 4843 83 B LEU CD1 10 C4H3u 0.770 1.880 45.089 -1.000 37.425 -1.000 bad 4844 83 B LEU CD2 10 C4H3u 0.770 1.880 43.340 -1.000 37.143 -1.000 bad 4845 84 B VAL N 12 N3H1s 0.700 1.640 3.297 14.606 13.676 1.068 possible 4846 84 B VAL CA 3 C4H1s 0.770 1.880 3.472 15.812 13.123 1.205 possible 4847 84 B VAL C 1 C3H0s 0.770 1.610 2.331 7.633 8.563 0.891 [OK] 4848 84 B VAL O 16 O1H0u 0.660 1.420 3.201 14.477 16.181 0.895 possible 4849 84 B VAL CB 4 C4H1b 0.770 1.880 4.181 16.471 14.598 1.128 possible 4850 84 B VAL CG1 10 C4H3u 0.770 1.880 35.308 -1.000 36.584 -1.000 bad 4851 84 B VAL CG2 10 C4H3u 0.770 1.880 34.027 -1.000 36.332 -1.000 bad 4852 85 B PRO N 11 N3H0u 0.700 1.640 2.919 8.656 8.823 0.981 [OK] 4853 85 B PRO CA 4 C4H1b 0.770 1.880 3.330 16.401 13.955 1.175 possible 4854 85 B PRO C 1 C3H0s 0.770 1.610 2.638 8.879 8.812 1.008 [OK] 4855 85 B PRO O 16 O1H0u 0.660 1.420 2.393 13.782 16.169 0.852 [OK] 4856 85 B PRO CB 9 C4H2b 0.770 1.880 3.271 30.684 25.563 1.200 possible 4857 85 B PRO CG 9 C4H2b 0.770 1.880 4.010 40.777 25.832 1.579 possible 4858 85 B PRO CD 8 C4H2s 0.770 1.880 3.633 23.716 23.836 0.995 possible 4859 86 B VAL N 12 N3H1s 0.700 1.640 2.634 14.085 13.676 1.030 [OK] 4860 86 B VAL CA 3 C4H1s 0.770 1.880 2.919 14.855 13.123 1.132 [OK] 4861 86 B VAL C 1 C3H0s 0.770 1.610 2.510 7.234 8.563 0.845 [OK] 4862 86 B VAL O 16 O1H0u 0.660 1.420 2.343 13.314 16.181 0.823 [OK] 4863 86 B VAL CB 4 C4H1b 0.770 1.880 3.293 14.483 14.598 0.992 possible 4864 86 B VAL CG1 10 C4H3u 0.770 1.880 25.400 -1.000 36.584 -1.000 bad 4865 86 B VAL CG2 10 C4H3u 0.770 1.880 15.324 -1.000 36.332 -1.000 bad 4866 87 B LEU N 12 N3H1s 0.700 1.640 2.526 11.928 13.655 0.874 [OK] 4867 87 B LEU CA 3 C4H1s 0.770 1.880 3.295 13.453 13.122 1.025 possible 4868 87 B LEU C 1 C3H0s 0.770 1.610 3.621 9.117 8.825 1.033 possible 4869 87 B LEU O 16 O1H0u 0.660 1.420 4.464 18.805 16.208 1.160 possible 4870 87 B LEU CB 8 C4H2s 0.770 1.880 6.585 51.299 22.951 2.235 possible 4871 87 B LEU CG 4 C4H1b 0.770 1.880 3.283 14.575 14.764 0.987 possible 4872 87 B LEU CD1 10 C4H3u 0.770 1.880 53.435 -1.000 37.425 -1.000 bad 4873 87 B LEU CD2 10 C4H3u 0.770 1.880 44.276 -1.000 37.143 -1.000 bad 4874 88 B ILE N 12 N3H1s 0.700 1.640 4.193 14.096 13.633 1.034 possible 4875 88 B ILE CA 3 C4H1s 0.770 1.880 4.309 17.151 13.007 1.319 possible 4876 88 B ILE C 1 C3H0s 0.770 1.610 2.331 7.295 8.470 0.861 [OK] 4877 88 B ILE O 16 O1H0u 0.660 1.420 2.668 13.935 16.144 0.863 [OK] 4878 88 B ILE CB 4 C4H1b 0.770 1.880 2.852 13.714 14.227 0.964 [OK] 4879 88 B ILE CG1 9 C4H2b 0.770 1.880 15.886 -1.000 24.187 -1.000 bad 4880 88 B ILE CG2 10 C4H3u 0.770 1.880 3.480 34.261 35.961 0.953 possible 4881 88 B ILE CD1 10 C4H3u 0.770 1.880 21.978 -1.000 38.377 -1.000 bad 4882 89 B LEU N 12 N3H1s 0.700 1.640 2.361 11.354 13.655 0.832 [OK] 4883 89 B LEU CA 3 C4H1s 0.770 1.880 3.183 13.181 13.122 1.004 possible 4884 89 B LEU C 1 C3H0s 0.770 1.610 2.097 7.967 8.825 0.903 [OK] 4885 89 B LEU O 16 O1H0u 0.660 1.420 2.676 17.198 16.208 1.061 [OK] 4886 89 B LEU CB 8 C4H2s 0.770 1.880 2.896 23.591 22.951 1.028 [OK] 4887 89 B LEU CG 4 C4H1b 0.770 1.880 2.787 13.896 14.764 0.941 [OK] 4888 89 B LEU CD1 10 C4H3u 0.770 1.880 3.147 36.882 37.425 0.985 possible 4889 89 B LEU CD2 10 C4H3u 0.770 1.880 3.402 40.523 37.143 1.091 possible 4890 90 B VAL N 12 N3H1s 0.700 1.640 2.410 10.905 13.676 0.797 [OK] 4891 90 B VAL CA 3 C4H1s 0.770 1.880 2.486 11.535 13.123 0.879 [OK] 4892 90 B VAL C 1 C3H0s 0.770 1.610 2.740 8.132 8.563 0.950 [OK] 4893 90 B VAL O 16 O1H0u 0.660 1.420 3.359 17.278 16.181 1.068 possible 4894 90 B VAL CB 4 C4H1b 0.770 1.880 2.997 13.741 14.598 0.941 [OK] 4895 90 B VAL CG1 10 C4H3u 0.770 1.880 38.416 -1.000 36.584 -1.000 bad 4896 90 B VAL CG2 10 C4H3u 0.770 1.880 14.281 -1.000 36.332 -1.000 bad 4897 91 B ALA N 12 N3H1s 0.700 1.640 3.799 12.910 14.046 0.919 possible 4898 91 B ALA CA 4 C4H1b 0.770 1.880 7.658 -1.000 14.063 -1.000 bad 4899 91 B ALA C 1 C3H0s 0.770 1.610 2.564 8.723 8.900 0.980 [OK] 4900 91 B ALA O 16 O1H0u 0.660 1.420 2.864 15.036 16.188 0.929 [OK] 4901 91 B ALA CB 10 C4H3u 0.770 1.880 30.705 -1.000 36.782 -1.000 bad 4902 92 B ILE N 12 N3H1s 0.700 1.640 2.646 13.056 13.633 0.958 [OK] 4903 92 B ILE CA 3 C4H1s 0.770 1.880 2.968 13.797 13.007 1.061 [OK] 4904 92 B ILE C 1 C3H0s 0.770 1.610 2.530 7.438 8.470 0.878 [OK] 4905 92 B ILE O 16 O1H0u 0.660 1.420 2.560 16.118 16.144 0.998 [OK] 4906 92 B ILE CB 4 C4H1b 0.770 1.880 3.312 14.692 14.227 1.033 possible 4907 92 B ILE CG1 9 C4H2b 0.770 1.880 2.895 22.036 24.187 0.911 [OK] 4908 92 B ILE CG2 10 C4H3u 0.770 1.880 3.389 40.170 35.961 1.117 possible 4909 92 B ILE CD1 10 C4H3u 0.770 1.880 3.420 45.489 38.377 1.185 possible 4910 93 B GLY N 12 N3H1s 0.700 1.640 2.666 14.288 14.854 0.962 [OK] 4911 93 B GLY CA 8 C4H2s 0.770 1.880 3.186 29.334 23.688 1.238 possible 4912 93 B GLY C 2 C3H0b 0.770 1.610 2.672 9.206 9.840 0.936 [OK] 4913 93 B GLY O 16 O1H0u 0.660 1.420 2.625 17.311 16.391 1.056 [OK] 4914 94 B ALA N 12 N3H1s 0.700 1.640 2.384 12.370 14.046 0.881 [OK] 4915 94 B ALA CA 4 C4H1b 0.770 1.880 2.720 13.246 14.063 0.942 [OK] 4916 94 B ALA C 1 C3H0s 0.770 1.610 2.898 9.211 8.900 1.035 [OK] 4917 94 B ALA O 16 O1H0u 0.660 1.420 4.124 24.873 16.188 1.536 possible 4918 94 B ALA CB 10 C4H3u 0.770 1.880 23.722 -1.000 36.782 -1.000 bad 4919 95 B PHE N 12 N3H1s 0.700 1.640 2.297 12.434 13.691 0.908 [OK] 4920 95 B PHE CA 3 C4H1s 0.770 1.880 3.485 15.124 13.449 1.125 possible 4921 95 B PHE C 1 C3H0s 0.770 1.610 2.470 8.443 8.753 0.965 [OK] 4922 95 B PHE O 16 O1H0u 0.660 1.420 3.818 18.566 16.151 1.150 possible 4923 95 B PHE CB 8 C4H2s 0.770 1.880 3.612 24.911 23.777 1.048 possible 4924 95 B PHE CG 2 C3H0b 0.770 1.610 2.857 10.049 9.721 1.034 [OK] 4925 95 B PHE CD1 5 C3H1s 0.770 1.760 13.935 -1.000 20.405 -1.000 bad 4926 95 B PHE CD2 6 C3H1b 0.770 1.760 2.987 17.224 21.051 0.818 [OK] 4927 95 B PHE CE1 6 C3H1b 0.770 1.760 30.077 -1.000 21.580 -1.000 bad 4928 95 B PHE CE2 6 C3H1b 0.770 1.760 5.935 43.287 21.680 1.997 possible 4929 95 B PHE CZ 6 C3H1b 0.770 1.760 33.652 -1.000 21.666 -1.000 bad 4930 96 B SER N 12 N3H1s 0.700 1.640 2.497 13.522 14.103 0.959 [OK] 4931 96 B SER CA 3 C4H1s 0.770 1.880 2.609 12.585 13.476 0.934 [OK] 4932 96 B SER C 1 C3H0s 0.770 1.610 2.327 8.175 8.923 0.916 [OK] 4933 96 B SER O 16 O1H0u 0.660 1.420 2.370 15.104 16.179 0.934 [OK] 4934 96 B SER CB 8 C4H2s 0.770 1.880 3.133 25.510 23.884 1.068 possible 4935 96 B SER OG 17 O2H1u 0.660 1.460 2.781 19.962 18.732 1.066 [OK] 4936 97 B LEU N 12 N3H1s 0.700 1.640 2.360 12.810 13.655 0.938 [OK] 4937 97 B LEU CA 3 C4H1s 0.770 1.880 2.731 12.708 13.122 0.968 [OK] 4938 97 B LEU C 1 C3H0s 0.770 1.610 3.495 9.094 8.825 1.030 possible 4939 97 B LEU O 16 O1H0u 0.660 1.420 3.155 16.036 16.208 0.989 possible 4940 97 B LEU CB 8 C4H2s 0.770 1.880 3.885 23.010 22.951 1.003 possible 4941 97 B LEU CG 4 C4H1b 0.770 1.880 3.186 16.368 14.764 1.109 possible 4942 97 B LEU CD1 10 C4H3u 0.770 1.880 7.956 79.370 37.425 2.121 possible 4943 97 B LEU CD2 10 C4H3u 0.770 1.880 4.214 42.481 37.143 1.144 possible 4944 98 B PRO N 11 N3H0u 0.700 1.640 3.574 9.287 8.823 1.053 possible 4945 98 B PRO CA 4 C4H1b 0.770 1.880 4.788 24.761 13.955 1.774 possible 4946 98 B PRO C 1 C3H0s 0.770 1.610 2.767 9.191 8.812 1.043 [OK] 4947 98 B PRO O 16 O1H0u 0.660 1.420 5.852 27.857 16.169 1.723 possible 4948 98 B PRO CB 9 C4H2b 0.770 1.880 22.263 -1.000 25.563 -1.000 bad 4949 98 B PRO CG 9 C4H2b 0.770 1.880 6.511 54.750 25.832 2.119 possible 4950 98 B PRO CD 8 C4H2s 0.770 1.880 2.641 18.824 23.836 0.790 [OK] 4951 99 B ILE N 12 N3H1s 0.700 1.640 2.961 13.916 13.633 1.021 [OK] 4952 99 B ILE CA 3 C4H1s 0.770 1.880 2.927 15.047 13.007 1.157 [OK] 4953 99 B ILE C 1 C3H0s 0.770 1.610 2.293 8.054 8.470 0.951 [OK] 4954 99 B ILE O 16 O1H0u 0.660 1.420 2.941 19.007 16.144 1.177 [OK] 4955 99 B ILE CB 4 C4H1b 0.770 1.880 2.641 13.473 14.227 0.947 [OK] 4956 99 B ILE CG1 9 C4H2b 0.770 1.880 4.772 32.892 24.187 1.360 possible 4957 99 B ILE CG2 10 C4H3u 0.770 1.880 3.473 38.562 35.961 1.072 possible 4958 99 B ILE CD1 10 C4H3u 0.770 1.880 4.566 43.675 38.377 1.138 possible 4959 100 B LEU N 12 N3H1s 0.700 1.640 2.351 11.850 13.655 0.868 [OK] 4960 100 B LEU CA 3 C4H1s 0.770 1.880 2.917 13.495 13.122 1.028 [OK] 4961 100 B LEU C 1 C3H0s 0.770 1.610 2.126 7.938 8.825 0.900 [OK] 4962 100 B LEU O 16 O1H0u 0.660 1.420 2.373 13.972 16.208 0.862 [OK] 4963 100 B LEU CB 8 C4H2s 0.770 1.880 2.813 21.076 22.951 0.918 [OK] 4964 100 B LEU CG 4 C4H1b 0.770 1.880 2.688 12.541 14.764 0.849 [OK] 4965 100 B LEU CD1 10 C4H3u 0.770 1.880 2.899 33.580 37.425 0.897 [OK] 4966 100 B LEU CD2 10 C4H3u 0.770 1.880 2.977 37.375 37.143 1.006 [OK] 4967 101 B PHE N 12 N3H1s 0.700 1.640 2.256 12.569 13.691 0.918 [OK] 4968 101 B PHE CA 3 C4H1s 0.770 1.880 2.642 12.560 13.449 0.934 [OK] 4969 101 B PHE C 1 C3H0s 0.770 1.610 3.224 8.785 8.753 1.004 possible 4970 101 B PHE O 16 O1H0u 0.660 1.420 2.950 17.716 16.151 1.097 [OK] 4971 101 B PHE CB 8 C4H2s 0.770 1.880 6.587 47.110 23.777 1.981 possible 4972 101 B PHE CG 2 C3H0b 0.770 1.610 3.670 12.404 9.721 1.276 possible 4973 101 B PHE CD1 5 C3H1s 0.770 1.760 3.791 19.638 20.405 0.962 possible 4974 101 B PHE CD2 6 C3H1b 0.770 1.760 16.717 -1.000 21.051 -1.000 bad 4975 101 B PHE CE1 6 C3H1b 0.770 1.760 3.789 26.512 21.580 1.229 possible 4976 101 B PHE CE2 6 C3H1b 0.770 1.760 30.558 -1.000 21.680 -1.000 bad 4977 101 B PHE CZ 6 C3H1b 0.770 1.760 22.291 -1.000 21.666 -1.000 bad 4978 102 B ARG N 12 N3H1s 0.700 1.640 4.935 16.667 13.650 1.221 possible 4979 102 B ARG CA 3 C4H1s 0.770 1.880 5.603 31.723 13.422 2.364 possible 4980 102 B ARG C 1 C3H0s 0.770 1.610 2.477 8.440 8.838 0.955 [OK] 4981 102 B ARG O 16 O1H0u 0.660 1.420 5.377 30.739 16.084 1.911 possible 4982 102 B ARG CB 8 C4H2s 0.770 1.880 5.161 26.706 23.088 1.157 possible 4983 102 B ARG CG 8 C4H2s 0.770 1.880 19.370 -1.000 23.640 -1.000 bad 4984 102 B ARG CD 8 C4H2s 0.770 1.880 6.078 49.433 23.300 2.122 possible 4985 102 B ARG NE 13 N3H1b 0.700 1.640 12.556 -1.000 15.569 -1.000 bad 4986 102 B ARG CZ 2 C3H0b 0.770 1.610 7.042 19.495 9.747 2.000 possible 4987 102 B ARG NH1 15 N3H2u 0.700 1.640 5.675 59.421 22.782 2.608 possible 4988 102 B ARG NH2 15 N3H2u 0.700 1.640 44.231 -1.000 23.810 -1.000 bad 4989 103 B SER N 12 N3H1s 0.700 1.640 3.006 13.943 14.103 0.989 possible 4990 103 B SER CA 3 C4H1s 0.770 1.880 2.680 13.015 13.476 0.966 [OK] 4991 103 B SER C 1 C3H0s 0.770 1.610 2.598 8.938 8.923 1.002 [OK] 4992 103 B SER O 16 O1H0u 0.660 1.420 2.537 18.088 16.179 1.118 [OK] 4993 103 B SER CB 8 C4H2s 0.770 1.880 3.446 27.043 23.884 1.132 possible 4994 103 B SER OG 17 O2H1u 0.660 1.460 2.514 18.412 18.732 0.983 [OK] 4995 104 B GLN N 12 N3H1s 0.700 1.640 2.521 12.420 13.616 0.912 [OK] 4996 104 B GLN CA 3 C4H1s 0.770 1.880 2.692 12.333 13.334 0.925 [OK] 4997 104 B GLN C 1 C3H0s 0.770 1.610 2.512 10.044 8.787 1.143 [OK] 4998 104 B GLN O 16 O1H0u 0.660 1.420 6.473 50.087 15.993 3.132 possible 4999 104 B GLN CB 8 C4H2s 0.770 1.880 2.890 21.755 23.275 0.935 [OK] 5000 104 B GLN CG 8 C4H2s 0.770 1.880 4.680 32.390 23.465 1.380 possible 5001 104 B GLN CD 2 C3H0b 0.770 1.610 2.619 10.137 9.659 1.049 [OK] 5002 104 B GLN OE1 16 O1H0u 0.660 1.420 2.800 22.475 17.091 1.315 [OK] 5003 104 B GLN NE2 15 N3H2u 0.700 1.640 4.828 44.537 24.150 1.844 possible 5004 105 B GLU N 12 N3H1s 0.700 1.640 2.520 14.929 13.615 1.097 [OK] 5005 105 B GLU CA 3 C4H1s 0.770 1.880 4.547 16.331 13.399 1.219 possible 5006 105 B GLU C 1 C3H0s 0.770 1.610 2.582 9.275 8.675 1.069 [OK] 5007 105 B GLU O 16 O1H0u 0.660 1.420 5.373 36.392 16.023 2.271 possible 5008 105 B GLU CB 8 C4H2s 0.770 1.880 4.861 27.838 23.529 1.183 possible 5009 105 B GLU CG 8 C4H2s 0.770 1.880 7.582 78.429 23.513 3.336 possible 5010 105 B GLU CD 2 C3H0b 0.770 1.610 5.459 16.409 9.460 1.735 possible 5011 105 B GLU OE1 16 O1H0u 0.660 1.420 29.710 -1.000 15.999 -1.000 bad 5012 105 B GLU OE2 16 O1H0u 0.660 1.420 32.769 -1.000 17.432 -1.000 bad 5013 106 B MET N 12 N3H1s 0.700 1.640 6.785 29.053 13.564 2.142 possible 5014 106 B MET CA 3 C4H1s 0.770 1.880 2.406 11.314 13.231 0.855 [OK] 5015 106 B MET C 1 C3H0s 0.770 1.610 2.902 8.947 8.782 1.019 [OK] 5016 106 B MET O 16 O1H0u 0.660 1.420 6.882 53.719 16.277 3.300 possible 5017 106 B MET CB 8 C4H2s 0.770 1.880 6.768 50.733 23.645 2.146 possible 5018 106 B MET CG 9 C4H2b 0.770 1.880 6.078 42.381 24.009 1.765 possible 5019 106 B MET SD 19 S2H0u 1.040 1.770 2.548 23.254 30.093 0.773 [OK] 5020 106 B MET CE 10 C4H3u 0.770 1.880 5.207 48.741 37.161 1.312 possible 5021 107 B PRO N 11 N3H0u 0.700 1.640 3.418 9.805 8.823 1.111 possible 5022 107 B PRO CA 4 C4H1b 0.770 1.880 6.213 35.041 13.955 2.511 possible 5023 107 B PRO C 1 C3H0s 0.770 1.610 2.890 9.032 8.812 1.025 [OK] 5024 107 B PRO O 16 O1H0u 0.660 1.420 5.242 38.696 16.169 2.393 possible 5025 107 B PRO CB 9 C4H2b 0.770 1.880 4.439 37.547 25.563 1.469 possible 5026 107 B PRO CG 9 C4H2b 0.770 1.880 3.305 32.281 25.832 1.250 possible 5027 107 B PRO CD 8 C4H2s 0.770 1.880 3.692 25.045 23.836 1.051 possible 5028 108 B ASN N 12 N3H1s 0.700 1.640 4.724 21.111 13.695 1.541 possible 5029 108 B ASN CA 3 C4H1s 0.770 1.880 5.146 19.536 13.167 1.484 possible 5030 108 B ASN C 1 C3H0s 0.770 1.610 3.061 9.311 8.928 1.043 possible 5031 108 B ASN O 16 O1H0u 0.660 1.420 30.159 -1.000 16.199 -1.000 bad 5032 108 B ASN CB 8 C4H2s 0.770 1.880 27.438 -1.000 23.128 -1.000 bad 5033 108 B ASN CG 2 C3H0b 0.770 1.610 2.720 -1.000 9.599 -1.000 bad 5034 108 B ASN OD1 16 O1H0u 0.660 1.420 45.078 -1.000 16.664 -1.000 bad 5035 108 B ASN ND2 15 N3H2u 0.700 1.640 46.028 -1.000 23.083 -1.000 bad 5036 109 B ASP N 12 N3H1s 0.700 1.640 2.653 13.449 13.895 0.968 [OK] 5037 109 B ASP CA 3 C4H1s 0.770 1.880 7.211 23.590 13.377 1.763 possible 5038 109 B ASP C 1 C3H0s 0.770 1.610 3.341 11.212 8.816 1.272 possible 5039 109 B ASP O 16 O1H0u 0.660 1.420 4.328 29.737 16.091 1.848 possible 5040 109 B ASP CB 8 C4H2s 0.770 1.880 34.673 -1.000 23.481 -1.000 bad 5041 109 B ASP CG 2 C3H0b 0.770 1.610 3.726 12.350 9.422 1.311 possible 5042 109 B ASP OD1 16 O1H0u 0.660 1.420 5.795 47.473 15.505 3.062 possible 5043 109 B ASP OD2 16 O1H0u 0.660 1.420 6.303 89.544 16.324 5.485 possible 5044 110 B PRO N 11 N3H0u 0.700 1.640 3.054 9.310 8.823 1.055 possible 5045 110 B PRO CA 4 C4H1b 0.770 1.880 2.809 14.909 13.955 1.068 [OK] 5046 110 B PRO C 1 C3H0s 0.770 1.610 2.665 8.573 8.812 0.973 [OK] 5047 110 B PRO O 16 O1H0u 0.660 1.420 18.804 -1.000 16.169 -1.000 bad 5048 110 B PRO CB 9 C4H2b 0.770 1.880 3.226 26.914 25.563 1.053 possible 5049 110 B PRO CG 9 C4H2b 0.770 1.880 6.281 37.992 25.832 1.471 possible 5050 110 B PRO CD 8 C4H2s 0.770 1.880 6.547 48.489 23.836 2.034 possible 5051 111 B ASP N 12 N3H1s 0.700 1.640 2.709 13.941 13.895 1.003 [OK] 5052 111 B ASP CA 3 C4H1s 0.770 1.880 5.074 18.512 13.377 1.384 possible 5053 111 B ASP C 1 C3H0s 0.770 1.610 2.942 9.520 8.816 1.080 [OK] 5054 111 B ASP O 16 O1H0u 0.660 1.420 7.929 126.112 16.091 7.837 possible 5055 111 B ASP CB 8 C4H2s 0.770 1.880 4.842 33.182 23.481 1.413 possible 5056 111 B ASP CG 2 C3H0b 0.770 1.610 3.323 10.435 9.422 1.107 possible 5057 111 B ASP OD1 16 O1H0u 0.660 1.420 5.205 73.745 15.505 4.756 possible 5058 111 B ASP OD2 16 O1H0u 0.660 1.420 5.152 41.799 16.324 2.561 possible 5059 112 B LEU N 12 N3H1s 0.700 1.640 3.065 15.813 13.655 1.158 possible 5060 112 B LEU CA 3 C4H1s 0.770 1.880 3.841 15.470 13.122 1.179 possible 5061 112 B LEU C 1 C3H0s 0.770 1.610 2.577 8.625 8.825 0.977 [OK] 5062 112 B LEU O 16 O1H0u 0.660 1.420 2.317 16.086 16.208 0.992 [OK] 5063 112 B LEU CB 8 C4H2s 0.770 1.880 3.646 31.213 22.951 1.360 possible 5064 112 B LEU CG 4 C4H1b 0.770 1.880 2.624 12.712 14.764 0.861 [OK] 5065 112 B LEU CD1 10 C4H3u 0.770 1.880 4.079 42.407 37.425 1.133 possible 5066 112 B LEU CD2 10 C4H3u 0.770 1.880 3.093 34.784 37.143 0.936 possible 5067 113 B VAL N 12 N3H1s 0.700 1.640 3.576 17.719 13.676 1.296 possible 5068 113 B VAL CA 3 C4H1s 0.770 1.880 2.599 12.494 13.123 0.952 [OK] 5069 113 B VAL C 1 C3H0s 0.770 1.610 2.573 8.127 8.563 0.949 [OK] 5070 113 B VAL O 16 O1H0u 0.660 1.420 2.389 15.932 16.181 0.985 [OK] 5071 113 B VAL CB 4 C4H1b 0.770 1.880 3.246 14.212 14.598 0.974 possible 5072 113 B VAL CG1 10 C4H3u 0.770 1.880 5.695 61.771 36.584 1.688 possible 5073 113 B VAL CG2 10 C4H3u 0.770 1.880 7.760 87.804 36.332 2.417 possible 5074 114 B ILE N 12 N3H1s 0.700 1.640 2.565 13.643 13.633 1.001 [OK] 5075 114 B ILE CA 3 C4H1s 0.770 1.880 2.746 12.256 13.007 0.942 [OK] 5076 114 B ILE C 1 C3H0s 0.770 1.610 2.746 9.041 8.470 1.067 [OK] 5077 114 B ILE O 16 O1H0u 0.660 1.420 2.546 16.251 16.144 1.007 [OK] 5078 114 B ILE CB 4 C4H1b 0.770 1.880 3.077 16.093 14.227 1.131 possible 5079 114 B ILE CG1 9 C4H2b 0.770 1.880 2.974 24.339 24.187 1.006 [OK] 5080 114 B ILE CG2 10 C4H3u 0.770 1.880 3.047 33.338 35.961 0.927 possible 5081 114 B ILE CD1 10 C4H3u 0.770 1.880 3.602 47.842 38.377 1.247 possible 5082 115 B LYS N 12 N3H1s 0.700 1.640 2.686 13.196 13.675 0.965 [OK] 5083 115 B LYS CA 3 C4H1s 0.770 1.880 2.637 12.211 13.324 0.916 [OK] 5084 115 B LYS C 1 C3H0s 0.770 1.610 2.628 8.968 8.759 1.024 [OK] 5085 115 B LYS O 16 O1H0u 0.660 1.420 2.543 16.326 16.049 1.017 [OK] 5086 115 B LYS CB 8 C4H2s 0.770 1.880 3.018 24.901 22.904 1.087 possible 5087 115 B LYS CG 8 C4H2s 0.770 1.880 3.088 22.988 23.131 0.994 possible 5088 115 B LYS CD 8 C4H2s 0.770 1.880 5.055 38.428 23.837 1.612 possible 5089 115 B LYS CE 9 C4H2b 0.770 1.880 3.425 26.084 23.934 1.090 possible 5090 115 B LYS NZ 14 N4H3u 0.700 1.640 40.175 -1.000 21.213 -1.000 bad 5091 116 B ALA N 12 N3H1s 0.700 1.640 2.662 14.388 14.046 1.024 [OK] 5092 116 B ALA CA 4 C4H1b 0.770 1.880 2.769 13.120 14.063 0.933 [OK] 5093 116 B ALA C 1 C3H0s 0.770 1.610 2.594 9.121 8.900 1.025 [OK] 5094 116 B ALA O 16 O1H0u 0.660 1.420 2.684 17.398 16.188 1.075 [OK] 5095 116 B ALA CB 10 C4H3u 0.770 1.880 3.261 38.939 36.782 1.059 possible 5096 117 B ILE N 12 N3H1s 0.700 1.640 2.790 14.335 13.633 1.051 [OK] 5097 117 B ILE CA 3 C4H1s 0.770 1.880 2.651 11.816 13.007 0.908 [OK] 5098 117 B ILE C 1 C3H0s 0.770 1.610 2.392 8.034 8.470 0.948 [OK] 5099 117 B ILE O 16 O1H0u 0.660 1.420 2.509 15.834 16.144 0.981 [OK] 5100 117 B ILE CB 4 C4H1b 0.770 1.880 3.538 13.318 14.227 0.936 possible 5101 117 B ILE CG1 9 C4H2b 0.770 1.880 4.830 37.168 24.187 1.537 possible 5102 117 B ILE CG2 10 C4H3u 0.770 1.880 4.714 38.223 35.961 1.063 possible 5103 117 B ILE CD1 10 C4H3u 0.770 1.880 3.962 42.526 38.377 1.108 possible 5104 118 B GLY N 12 N3H1s 0.700 1.640 2.702 14.018 14.854 0.944 [OK] 5105 118 B GLY CA 8 C4H2s 0.770 1.880 2.812 23.276 23.688 0.983 [OK] 5106 118 B GLY C 2 C3H0b 0.770 1.610 2.322 8.882 9.840 0.903 [OK] 5107 118 B GLY O 16 O1H0u 0.660 1.420 2.473 16.038 16.391 0.978 [OK] 5108 119 B HIS N 12 N3H1s 0.700 1.640 2.459 14.018 13.715 1.022 [OK] 5109 119 B HIS CA 3 C4H1s 0.770 1.880 2.735 13.321 13.467 0.989 [OK] 5110 119 B HIS C 1 C3H0s 0.770 1.610 2.480 8.145 8.882 0.917 [OK] 5111 119 B HIS O 16 O1H0u 0.660 1.420 2.225 12.529 16.082 0.779 [OK] 5112 119 B HIS CB 8 C4H2s 0.770 1.880 4.077 23.916 23.653 1.011 possible 5113 119 B HIS CG 2 C3H0b 0.770 1.610 3.228 10.029 9.952 1.008 possible 5114 119 B HIS ND1 13 N3H1b 0.700 1.640 2.425 15.160 15.506 0.978 [OK] 5115 119 B HIS CD2 5 C3H1s 0.770 1.760 5.358 28.881 21.085 1.370 possible 5116 119 B HIS CE1 5 C3H1s 0.770 1.760 6.066 30.137 20.636 1.460 possible 5117 119 B HIS NE2 13 N3H1b 0.700 1.640 9.541 -1.000 15.337 -1.000 bad 5118 120 B GLN N 12 N3H1s 0.700 1.640 3.648 15.171 13.616 1.114 possible 5119 120 B GLN CA 3 C4H1s 0.770 1.880 3.101 14.317 13.334 1.074 possible 5120 120 B GLN C 1 C3H0s 0.770 1.610 2.398 8.287 8.787 0.943 [OK] 5121 120 B GLN O 16 O1H0u 0.660 1.420 10.983 -1.000 15.993 -1.000 bad 5122 120 B GLN CB 8 C4H2s 0.770 1.880 15.317 -1.000 23.275 -1.000 bad 5123 120 B GLN CG 8 C4H2s 0.770 1.880 9.156 -1.000 23.465 -1.000 bad 5124 120 B GLN CD 2 C3H0b 0.770 1.610 6.155 17.504 9.659 1.812 possible 5125 120 B GLN OE1 16 O1H0u 0.660 1.420 4.869 23.950 17.091 1.401 possible 5126 120 B GLN NE2 15 N3H2u 0.700 1.640 5.783 47.659 24.150 1.973 possible 5127 121 B TRP N 12 N3H1s 0.700 1.640 2.681 12.193 13.791 0.884 [OK] 5128 121 B TRP CA 3 C4H1s 0.770 1.880 2.823 12.193 13.377 0.911 [OK] 5129 121 B TRP C 1 C3H0s 0.770 1.610 2.752 9.620 8.724 1.103 [OK] 5130 121 B TRP O 16 O1H0u 0.660 1.420 5.896 43.112 15.951 2.703 possible 5131 121 B TRP CB 8 C4H2s 0.770 1.880 6.910 43.920 24.004 1.830 possible 5132 121 B TRP CG 2 C3H0b 0.770 1.610 2.405 8.475 9.965 0.850 [OK] 5133 121 B TRP CD1 5 C3H1s 0.770 1.760 2.769 17.816 20.874 0.854 [OK] 5134 121 B TRP CD2 2 C3H0b 0.770 1.610 2.422 9.578 10.097 0.949 [OK] 5135 121 B TRP NE1 13 N3H1b 0.700 1.640 2.763 17.508 16.969 1.032 [OK] 5136 121 B TRP CE2 2 C3H0b 0.770 1.610 2.389 9.398 9.889 0.950 [OK] 5137 121 B TRP CE3 6 C3H1b 0.770 1.760 12.171 -1.000 20.448 -1.000 bad 5138 121 B TRP CZ2 6 C3H1b 0.770 1.760 3.851 17.968 21.012 0.855 possible 5139 121 B TRP CZ3 6 C3H1b 0.770 1.760 24.851 -1.000 21.516 -1.000 bad 5140 121 B TRP CH2 6 C3H1b 0.770 1.760 6.382 36.483 21.339 1.710 possible 5141 122 B TYR N 12 N3H1s 0.700 1.640 2.460 13.087 13.691 0.956 [OK] 5142 122 B TYR CA 3 C4H1s 0.770 1.880 3.255 15.202 13.330 1.140 possible 5143 122 B TYR C 1 C3H0s 0.770 1.610 2.392 8.579 8.770 0.978 [OK] 5144 122 B TYR O 16 O1H0u 0.660 1.420 2.346 15.480 16.124 0.960 [OK] 5145 122 B TYR CB 8 C4H2s 0.770 1.880 3.960 23.083 23.678 0.975 possible 5146 122 B TYR CG 2 C3H0b 0.770 1.610 2.838 9.500 9.732 0.976 [OK] 5147 122 B TYR CD1 5 C3H1s 0.770 1.760 2.984 19.222 20.171 0.953 [OK] 5148 122 B TYR CD2 5 C3H1s 0.770 1.760 7.950 49.751 20.728 2.400 possible 5149 122 B TYR CE1 5 C3H1s 0.770 1.760 3.604 21.646 20.675 1.047 possible 5150 122 B TYR CE2 5 C3H1s 0.770 1.760 22.169 -1.000 20.810 -1.000 bad 5151 122 B TYR CZ 2 C3H0b 0.770 1.610 5.071 13.340 9.926 1.344 possible 5152 122 B TYR OH 17 O2H1u 0.660 1.460 31.310 -1.000 19.173 -1.000 bad 5153 123 B TRP N 12 N3H1s 0.700 1.640 2.960 14.200 13.791 1.030 [OK] 5154 123 B TRP CA 3 C4H1s 0.770 1.880 2.618 12.645 13.377 0.945 [OK] 5155 123 B TRP C 1 C3H0s 0.770 1.610 2.415 8.961 8.724 1.027 [OK] 5156 123 B TRP O 16 O1H0u 0.660 1.420 2.472 16.167 15.951 1.014 [OK] 5157 123 B TRP CB 8 C4H2s 0.770 1.880 3.051 22.083 24.004 0.920 possible 5158 123 B TRP CG 2 C3H0b 0.770 1.610 2.419 9.659 9.965 0.969 [OK] 5159 123 B TRP CD1 5 C3H1s 0.770 1.760 3.238 21.274 20.874 1.019 possible 5160 123 B TRP CD2 2 C3H0b 0.770 1.610 2.559 10.996 10.097 1.089 [OK] 5161 123 B TRP NE1 13 N3H1b 0.700 1.640 2.755 16.054 16.969 0.946 [OK] 5162 123 B TRP CE2 2 C3H0b 0.770 1.610 2.439 9.610 9.889 0.972 [OK] 5163 123 B TRP CE3 6 C3H1b 0.770 1.760 2.958 21.096 20.448 1.032 [OK] 5164 123 B TRP CZ2 6 C3H1b 0.770 1.760 2.803 22.161 21.012 1.055 [OK] 5165 123 B TRP CZ3 6 C3H1b 0.770 1.760 3.111 23.370 21.516 1.086 possible 5166 123 B TRP CH2 6 C3H1b 0.770 1.760 2.786 20.118 21.339 0.943 [OK] 5167 124 B SER N 12 N3H1s 0.700 1.640 2.849 14.807 14.103 1.050 [OK] 5168 124 B SER CA 3 C4H1s 0.770 1.880 2.770 13.118 13.476 0.973 [OK] 5169 124 B SER C 1 C3H0s 0.770 1.610 2.724 9.320 8.923 1.045 [OK] 5170 124 B SER O 16 O1H0u 0.660 1.420 2.590 15.243 16.179 0.942 [OK] 5171 124 B SER CB 8 C4H2s 0.770 1.880 2.886 20.738 23.884 0.868 [OK] 5172 124 B SER OG 17 O2H1u 0.660 1.460 7.478 59.310 18.732 3.166 possible 5173 125 B TYR N 12 N3H1s 0.700 1.640 2.531 13.526 13.691 0.988 [OK] 5174 125 B TYR CA 3 C4H1s 0.770 1.880 2.494 11.591 13.330 0.870 [OK] 5175 125 B TYR C 1 C3H0s 0.770 1.610 2.744 9.860 8.770 1.124 [OK] 5176 125 B TYR O 16 O1H0u 0.660 1.420 2.989 19.242 16.124 1.193 [OK] 5177 125 B TYR CB 8 C4H2s 0.770 1.880 3.071 28.377 23.678 1.198 possible 5178 125 B TYR CG 2 C3H0b 0.770 1.610 2.646 9.609 9.732 0.987 [OK] 5179 125 B TYR CD1 5 C3H1s 0.770 1.760 2.921 21.136 20.171 1.048 [OK] 5180 125 B TYR CD2 5 C3H1s 0.770 1.760 2.879 22.627 20.728 1.092 [OK] 5181 125 B TYR CE1 5 C3H1s 0.770 1.760 3.132 23.144 20.675 1.119 possible 5182 125 B TYR CE2 5 C3H1s 0.770 1.760 3.135 20.386 20.810 0.980 possible 5183 125 B TYR CZ 2 C3H0b 0.770 1.610 2.568 9.075 9.926 0.914 [OK] 5184 125 B TYR OH 17 O2H1u 0.660 1.460 2.570 17.388 19.173 0.907 [OK] 5185 126 B GLU N 12 N3H1s 0.700 1.640 2.849 15.034 13.615 1.104 [OK] 5186 126 B GLU CA 3 C4H1s 0.770 1.880 3.032 13.247 13.399 0.989 possible 5187 126 B GLU C 1 C3H0s 0.770 1.610 2.476 8.479 8.675 0.977 [OK] 5188 126 B GLU O 16 O1H0u 0.660 1.420 2.616 14.820 16.023 0.925 [OK] 5189 126 B GLU CB 8 C4H2s 0.770 1.880 3.844 26.933 23.529 1.145 possible 5190 126 B GLU CG 8 C4H2s 0.770 1.880 3.648 28.211 23.513 1.200 possible 5191 126 B GLU CD 2 C3H0b 0.770 1.610 4.037 13.399 9.460 1.416 possible 5192 126 B GLU OE1 16 O1H0u 0.660 1.420 24.280 -1.000 15.999 -1.000 bad 5193 126 B GLU OE2 16 O1H0u 0.660 1.420 37.137 -1.000 17.432 -1.000 bad 5194 127 B TYR N 12 N3H1s 0.700 1.640 2.964 13.760 13.691 1.005 [OK] 5195 127 B TYR CA 3 C4H1s 0.770 1.880 2.809 13.050 13.330 0.979 [OK] 5196 127 B TYR C 1 C3H0s 0.770 1.610 3.285 8.934 8.770 1.019 possible 5197 127 B TYR O 16 O1H0u 0.660 1.420 3.181 16.113 16.124 0.999 possible 5198 127 B TYR CB 8 C4H2s 0.770 1.880 2.906 22.169 23.678 0.936 [OK] 5199 127 B TYR CG 2 C3H0b 0.770 1.610 2.933 11.113 9.732 1.142 [OK] 5200 127 B TYR CD1 5 C3H1s 0.770 1.760 2.962 22.212 20.171 1.101 [OK] 5201 127 B TYR CD2 5 C3H1s 0.770 1.760 3.069 24.042 20.728 1.160 possible 5202 127 B TYR CE1 5 C3H1s 0.770 1.760 2.940 23.220 20.675 1.123 [OK] 5203 127 B TYR CE2 5 C3H1s 0.770 1.760 2.787 21.506 20.810 1.033 [OK] 5204 127 B TYR CZ 2 C3H0b 0.770 1.610 2.574 10.346 9.926 1.042 [OK] 5205 127 B TYR OH 17 O2H1u 0.660 1.460 2.542 19.218 19.173 1.002 [OK] 5206 128 B PRO N 11 N3H0u 0.700 1.640 3.490 10.048 8.823 1.139 possible 5207 128 B PRO CA 4 C4H1b 0.770 1.880 6.297 32.523 13.955 2.331 possible 5208 128 B PRO C 1 C3H0s 0.770 1.610 3.674 9.518 8.812 1.080 possible 5209 128 B PRO O 16 O1H0u 0.660 1.420 22.903 -1.000 16.169 -1.000 bad 5210 128 B PRO CB 9 C4H2b 0.770 1.880 22.668 -1.000 25.563 -1.000 bad 5211 128 B PRO CG 9 C4H2b 0.770 1.880 5.068 44.414 25.832 1.719 possible 5212 128 B PRO CD 8 C4H2s 0.770 1.880 2.755 19.908 23.836 0.835 [OK] 5213 129 B ASN N 12 N3H1s 0.700 1.640 2.691 12.092 13.695 0.883 [OK] 5214 129 B ASN CA 3 C4H1s 0.770 1.880 9.376 -1.000 13.167 -1.000 bad 5215 129 B ASN C 1 C3H0s 0.770 1.610 3.211 10.454 8.928 1.171 possible 5216 129 B ASN O 16 O1H0u 0.660 1.420 26.967 -1.000 16.199 -1.000 bad 5217 129 B ASN CB 8 C4H2s 0.770 1.880 24.896 -1.000 23.128 -1.000 bad 5218 129 B ASN CG 2 C3H0b 0.770 1.610 2.329 -1.000 9.599 -1.000 bad 5219 129 B ASN OD1 16 O1H0u 0.660 1.420 34.729 -1.000 16.664 -1.000 bad 5220 129 B ASN ND2 15 N3H2u 0.700 1.640 5.922 59.402 23.083 2.573 possible 5221 130 B ASP N 12 N3H1s 0.700 1.640 2.382 12.169 13.895 0.876 [OK] 5222 130 B ASP CA 3 C4H1s 0.770 1.880 3.298 15.154 13.377 1.133 possible 5223 130 B ASP C 1 C3H0s 0.770 1.610 3.955 12.326 8.816 1.398 possible 5224 130 B ASP O 16 O1H0u 0.660 1.420 3.209 17.052 16.091 1.060 possible 5225 130 B ASP CB 8 C4H2s 0.770 1.880 2.929 24.209 23.481 1.031 [OK] 5226 130 B ASP CG 2 C3H0b 0.770 1.610 2.399 9.399 9.422 0.998 [OK] 5227 130 B ASP OD1 16 O1H0u 0.660 1.420 21.729 -1.000 15.505 -1.000 bad 5228 130 B ASP OD2 16 O1H0u 0.660 1.420 4.048 32.615 16.324 1.998 possible 5229 131 B GLY N 12 N3H1s 0.700 1.640 7.016 32.531 14.854 2.190 possible 5230 131 B GLY CA 8 C4H2s 0.770 1.880 27.184 -1.000 23.688 -1.000 bad 5231 131 B GLY C 2 C3H0b 0.770 1.610 2.132 7.924 9.840 0.805 [OK] 5232 131 B GLY O 16 O1H0u 0.660 1.420 5.799 30.963 16.391 1.889 possible 5233 132 B VAL N 12 N3H1s 0.700 1.640 3.310 15.339 13.676 1.122 possible 5234 132 B VAL CA 3 C4H1s 0.770 1.880 2.649 12.362 13.123 0.942 [OK] 5235 132 B VAL C 1 C3H0s 0.770 1.610 2.731 9.011 8.563 1.052 [OK] 5236 132 B VAL O 16 O1H0u 0.660 1.420 3.436 20.478 16.181 1.266 possible 5237 132 B VAL CB 4 C4H1b 0.770 1.880 3.184 14.052 14.598 0.963 possible 5238 132 B VAL CG1 10 C4H3u 0.770 1.880 3.200 36.597 36.584 1.000 possible 5239 132 B VAL CG2 10 C4H3u 0.770 1.880 3.229 35.231 36.332 0.970 possible 5240 133 B ALA N 12 N3H1s 0.700 1.640 2.792 14.071 14.046 1.002 [OK] 5241 133 B ALA CA 4 C4H1b 0.770 1.880 3.082 13.569 14.063 0.965 possible 5242 133 B ALA C 1 C3H0s 0.770 1.610 4.091 9.397 8.900 1.056 possible 5243 133 B ALA O 16 O1H0u 0.660 1.420 6.287 49.572 16.188 3.062 possible 5244 133 B ALA CB 10 C4H3u 0.770 1.880 7.207 95.427 36.782 2.594 possible 5245 134 B PHE N 12 N3H1s 0.700 1.640 3.888 16.892 13.691 1.234 possible 5246 134 B PHE CA 3 C4H1s 0.770 1.880 5.557 26.234 13.449 1.951 possible 5247 134 B PHE C 1 C3H0s 0.770 1.610 2.842 9.316 8.753 1.064 [OK] 5248 134 B PHE O 16 O1H0u 0.660 1.420 2.827 18.519 16.151 1.147 [OK] 5249 134 B PHE CB 8 C4H2s 0.770 1.880 3.993 23.765 23.777 1.000 possible 5250 134 B PHE CG 2 C3H0b 0.770 1.610 2.862 10.551 9.721 1.085 [OK] 5251 134 B PHE CD1 5 C3H1s 0.770 1.760 2.997 21.004 20.405 1.029 [OK] 5252 134 B PHE CD2 6 C3H1b 0.770 1.760 3.141 23.643 21.051 1.123 possible 5253 134 B PHE CE1 6 C3H1b 0.770 1.760 3.133 23.576 21.580 1.092 possible 5254 134 B PHE CE2 6 C3H1b 0.770 1.760 3.461 25.952 21.680 1.197 possible 5255 134 B PHE CZ 6 C3H1b 0.770 1.760 3.293 25.213 21.666 1.164 possible 5256 135 B ASP N 12 N3H1s 0.700 1.640 5.386 26.325 13.895 1.895 possible 5257 135 B ASP CA 3 C4H1s 0.770 1.880 2.662 12.539 13.377 0.937 [OK] 5258 135 B ASP C 1 C3H0s 0.770 1.610 2.734 9.774 8.816 1.109 [OK] 5259 135 B ASP O 16 O1H0u 0.660 1.420 5.313 28.076 16.091 1.745 possible 5260 135 B ASP CB 8 C4H2s 0.770 1.880 5.526 37.773 23.481 1.609 possible 5261 135 B ASP CG 2 C3H0b 0.770 1.610 3.109 10.329 9.422 1.096 possible 5262 135 B ASP OD1 16 O1H0u 0.660 1.420 7.259 43.683 15.505 2.817 possible 5263 135 B ASP OD2 16 O1H0u 0.660 1.420 43.427 -1.000 16.324 -1.000 bad 5264 136 B ALA N 12 N3H1s 0.700 1.640 2.768 15.109 14.046 1.076 [OK] 5265 136 B ALA CA 4 C4H1b 0.770 1.880 2.700 13.015 14.063 0.925 [OK] 5266 136 B ALA C 1 C3H0s 0.770 1.610 2.412 8.878 8.900 0.998 [OK] 5267 136 B ALA O 16 O1H0u 0.660 1.420 2.833 20.548 16.188 1.269 [OK] 5268 136 B ALA CB 10 C4H3u 0.770 1.880 3.160 37.036 36.782 1.007 possible 5269 137 B LEU N 12 N3H1s 0.700 1.640 2.613 12.884 13.655 0.944 [OK] 5270 137 B LEU CA 3 C4H1s 0.770 1.880 2.848 12.972 13.122 0.989 [OK] 5271 137 B LEU C 1 C3H0s 0.770 1.610 2.783 8.842 8.825 1.002 [OK] 5272 137 B LEU O 16 O1H0u 0.660 1.420 3.264 16.180 16.208 0.998 possible 5273 137 B LEU CB 8 C4H2s 0.770 1.880 5.250 36.830 22.951 1.605 possible 5274 137 B LEU CG 4 C4H1b 0.770 1.880 4.026 18.406 14.764 1.247 possible 5275 137 B LEU CD1 10 C4H3u 0.770 1.880 63.364 -1.000 37.425 -1.000 bad 5276 137 B LEU CD2 10 C4H3u 0.770 1.880 5.078 48.819 37.143 1.314 possible 5277 138 B MET N 12 N3H1s 0.700 1.640 3.261 16.278 13.564 1.200 possible 5278 138 B MET CA 3 C4H1s 0.770 1.880 2.586 13.105 13.231 0.990 [OK] 5279 138 B MET C 1 C3H0s 0.770 1.610 2.453 8.247 8.782 0.939 [OK] 5280 138 B MET O 16 O1H0u 0.660 1.420 6.018 45.131 16.277 2.773 possible 5281 138 B MET CB 8 C4H2s 0.770 1.880 5.035 27.608 23.645 1.168 possible 5282 138 B MET CG 9 C4H2b 0.770 1.880 2.789 19.947 24.009 0.831 [OK] 5283 138 B MET SD 19 S2H0u 1.040 1.770 3.991 29.892 30.093 0.993 possible 5284 138 B MET CE 10 C4H3u 0.770 1.880 5.700 59.593 37.161 1.604 possible 5285 139 B LEU N 12 N3H1s 0.700 1.640 2.516 13.259 13.655 0.971 [OK] 5286 139 B LEU CA 3 C4H1s 0.770 1.880 3.443 14.896 13.122 1.135 possible 5287 139 B LEU C 1 C3H0s 0.770 1.610 2.963 9.210 8.825 1.044 [OK] 5288 139 B LEU O 16 O1H0u 0.660 1.420 2.656 16.430 16.208 1.014 [OK] 5289 139 B LEU CB 8 C4H2s 0.770 1.880 2.726 23.770 22.951 1.036 [OK] 5290 139 B LEU CG 4 C4H1b 0.770 1.880 2.612 13.212 14.764 0.895 [OK] 5291 139 B LEU CD1 10 C4H3u 0.770 1.880 3.099 34.057 37.425 0.910 possible 5292 139 B LEU CD2 10 C4H3u 0.770 1.880 6.829 71.444 37.143 1.923 possible 5293 140 B GLU N 12 N3H1s 0.700 1.640 2.991 16.954 13.615 1.245 [OK] 5294 140 B GLU CA 3 C4H1s 0.770 1.880 3.039 13.475 13.399 1.006 possible 5295 140 B GLU C 1 C3H0s 0.770 1.610 2.546 8.943 8.675 1.031 [OK] 5296 140 B GLU O 16 O1H0u 0.660 1.420 2.430 15.893 16.023 0.992 [OK] 5297 140 B GLU CB 8 C4H2s 0.770 1.880 3.175 22.732 23.529 0.966 possible 5298 140 B GLU CG 8 C4H2s 0.770 1.880 20.072 -1.000 23.513 -1.000 bad 5299 140 B GLU CD 2 C3H0b 0.770 1.610 3.648 -1.000 9.460 -1.000 bad 5300 140 B GLU OE1 16 O1H0u 0.660 1.420 38.451 -1.000 15.999 -1.000 bad 5301 140 B GLU OE2 16 O1H0u 0.660 1.420 26.867 -1.000 17.432 -1.000 bad 5302 141 B LYS N 12 N3H1s 0.700 1.640 2.802 15.508 13.675 1.134 [OK] 5303 141 B LYS CA 3 C4H1s 0.770 1.880 3.341 15.593 13.324 1.170 possible 5304 141 B LYS C 1 C3H0s 0.770 1.610 4.398 9.433 8.759 1.077 possible 5305 141 B LYS O 16 O1H0u 0.660 1.420 4.599 37.509 16.049 2.337 possible 5306 141 B LYS CB 8 C4H2s 0.770 1.880 14.842 -1.000 22.904 -1.000 bad 5307 141 B LYS CG 8 C4H2s 0.770 1.880 4.844 37.258 23.131 1.611 possible 5308 141 B LYS CD 8 C4H2s 0.770 1.880 30.302 -1.000 23.837 -1.000 bad 5309 141 B LYS CE 9 C4H2b 0.770 1.880 4.435 33.654 23.934 1.406 possible 5310 141 B LYS NZ 14 N4H3u 0.700 1.640 56.881 -1.000 21.213 -1.000 bad 5311 142 B GLU N 12 N3H1s 0.700 1.640 4.359 15.029 13.615 1.104 possible 5312 142 B GLU CA 3 C4H1s 0.770 1.880 7.939 43.078 13.399 3.215 possible 5313 142 B GLU C 1 C3H0s 0.770 1.610 3.802 9.301 8.675 1.072 possible 5314 142 B GLU O 16 O1H0u 0.660 1.420 14.737 -1.000 16.023 -1.000 bad 5315 142 B GLU CB 8 C4H2s 0.770 1.880 32.400 -1.000 23.529 -1.000 bad 5316 142 B GLU CG 8 C4H2s 0.770 1.880 28.038 -1.000 23.513 -1.000 bad 5317 142 B GLU CD 2 C3H0b 0.770 1.610 3.364 -1.000 9.460 -1.000 bad 5318 142 B GLU OE1 16 O1H0u 0.660 1.420 20.963 -1.000 15.999 -1.000 bad 5319 142 B GLU OE2 16 O1H0u 0.660 1.420 20.515 -1.000 17.432 -1.000 bad 5320 143 B ALA N 12 N3H1s 0.700 1.640 3.689 15.002 14.046 1.068 possible 5321 143 B ALA CA 4 C4H1b 0.770 1.880 6.083 28.846 14.063 2.051 possible 5322 143 B ALA C 1 C3H0s 0.770 1.610 2.740 10.273 8.900 1.154 [OK] 5323 143 B ALA O 16 O1H0u 0.660 1.420 5.596 27.461 16.188 1.696 possible 5324 143 B ALA CB 10 C4H3u 0.770 1.880 29.749 -1.000 36.782 -1.000 bad 5325 144 B LEU N 12 N3H1s 0.700 1.640 2.713 15.146 13.655 1.109 [OK] 5326 144 B LEU CA 3 C4H1s 0.770 1.880 2.714 13.483 13.122 1.028 [OK] 5327 144 B LEU C 1 C3H0s 0.770 1.610 2.313 8.733 8.825 0.990 [OK] 5328 144 B LEU O 16 O1H0u 0.660 1.420 2.319 14.925 16.208 0.921 [OK] 5329 144 B LEU CB 8 C4H2s 0.770 1.880 4.119 26.580 22.951 1.158 possible 5330 144 B LEU CG 4 C4H1b 0.770 1.880 2.944 16.478 14.764 1.116 [OK] 5331 144 B LEU CD1 10 C4H3u 0.770 1.880 3.569 41.515 37.425 1.109 possible 5332 144 B LEU CD2 10 C4H3u 0.770 1.880 2.938 37.082 37.143 0.998 [OK] 5333 145 B ALA N 12 N3H1s 0.700 1.640 3.935 22.306 14.046 1.588 possible 5334 145 B ALA CA 4 C4H1b 0.770 1.880 4.662 17.859 14.063 1.270 possible 5335 145 B ALA C 1 C3H0s 0.770 1.610 3.628 9.175 8.900 1.031 possible 5336 145 B ALA O 16 O1H0u 0.660 1.420 13.610 -1.000 16.188 -1.000 bad 5337 145 B ALA CB 10 C4H3u 0.770 1.880 61.410 -1.000 36.782 -1.000 bad 5338 146 B ASP N 12 N3H1s 0.700 1.640 3.159 17.964 13.895 1.293 possible 5339 146 B ASP CA 3 C4H1s 0.770 1.880 5.183 18.832 13.377 1.408 possible 5340 146 B ASP C 1 C3H0s 0.770 1.610 4.308 9.754 8.816 1.106 possible 5341 146 B ASP O 16 O1H0u 0.660 1.420 30.860 -1.000 16.091 -1.000 bad 5342 146 B ASP CB 8 C4H2s 0.770 1.880 26.283 -1.000 23.481 -1.000 bad 5343 146 B ASP CG 2 C3H0b 0.770 1.610 3.749 -1.000 9.422 -1.000 bad 5344 146 B ASP OD1 16 O1H0u 0.660 1.420 37.594 -1.000 15.505 -1.000 bad 5345 146 B ASP OD2 16 O1H0u 0.660 1.420 40.657 -1.000 16.324 -1.000 bad 5346 147 B ALA N 12 N3H1s 0.700 1.640 4.228 14.477 14.046 1.031 possible 5347 147 B ALA CA 4 C4H1b 0.770 1.880 6.732 29.078 14.063 2.068 possible 5348 147 B ALA C 1 C3H0s 0.770 1.610 3.820 10.834 8.900 1.217 possible 5349 147 B ALA O 16 O1H0u 0.660 1.420 3.896 35.713 16.188 2.206 possible 5350 147 B ALA CB 10 C4H3u 0.770 1.880 7.126 65.771 36.782 1.788 possible 5351 148 B GLY N 12 N3H1s 0.700 1.640 3.713 14.758 14.854 0.994 possible 5352 148 B GLY CA 8 C4H2s 0.770 1.880 7.598 105.924 23.688 4.472 possible 5353 148 B GLY C 2 C3H0b 0.770 1.610 4.383 14.125 9.840 1.436 possible 5354 148 B GLY O 16 O1H0u 0.660 1.420 28.818 -1.000 16.391 -1.000 bad 5355 149 B TYR N 12 N3H1s 0.700 1.640 2.927 14.147 13.691 1.033 [OK] 5356 149 B TYR CA 3 C4H1s 0.770 1.880 2.974 13.328 13.330 1.000 [OK] 5357 149 B TYR C 1 C3H0s 0.770 1.610 4.482 10.987 8.770 1.253 possible 5358 149 B TYR O 16 O1H0u 0.660 1.420 7.119 38.295 16.124 2.375 possible 5359 149 B TYR CB 8 C4H2s 0.770 1.880 2.755 22.613 23.678 0.955 [OK] 5360 149 B TYR CG 2 C3H0b 0.770 1.610 2.859 9.162 9.732 0.941 [OK] 5361 149 B TYR CD1 5 C3H1s 0.770 1.760 3.746 27.109 20.171 1.344 possible 5362 149 B TYR CD2 5 C3H1s 0.770 1.760 3.018 18.953 20.728 0.914 possible 5363 149 B TYR CE1 5 C3H1s 0.770 1.760 3.556 26.479 20.675 1.281 possible 5364 149 B TYR CE2 5 C3H1s 0.770 1.760 3.241 23.776 20.810 1.143 possible 5365 149 B TYR CZ 2 C3H0b 0.770 1.610 3.082 11.451 9.926 1.154 possible 5366 149 B TYR OH 17 O2H1u 0.660 1.460 2.825 26.401 19.173 1.377 [OK] 5367 150 B SER N 12 N3H1s 0.700 1.640 4.812 21.656 14.103 1.536 possible 5368 150 B SER CA 3 C4H1s 0.770 1.880 10.402 -1.000 13.476 -1.000 bad 5369 150 B SER C 1 C3H0s 0.770 1.610 2.800 9.266 8.923 1.038 [OK] 5370 150 B SER O 16 O1H0u 0.660 1.420 2.368 16.409 16.179 1.014 [OK] 5371 150 B SER CB 8 C4H2s 0.770 1.880 36.238 -1.000 23.884 -1.000 bad 5372 150 B SER OG 17 O2H1u 0.660 1.460 5.038 26.519 18.732 1.416 possible 5373 151 B GLU N 12 N3H1s 0.700 1.640 7.899 -1.000 13.615 -1.000 bad 5374 151 B GLU CA 3 C4H1s 0.770 1.880 3.927 14.915 13.399 1.113 possible 5375 151 B GLU C 1 C3H0s 0.770 1.610 3.599 9.033 8.675 1.041 possible 5376 151 B GLU O 16 O1H0u 0.660 1.420 3.870 24.254 16.023 1.514 possible 5377 151 B GLU CB 8 C4H2s 0.770 1.880 24.038 -1.000 23.529 -1.000 bad 5378 151 B GLU CG 8 C4H2s 0.770 1.880 4.859 48.523 23.513 2.064 possible 5379 151 B GLU CD 2 C3H0b 0.770 1.610 4.726 13.871 9.460 1.466 possible 5380 151 B GLU OE1 16 O1H0u 0.660 1.420 42.990 -1.000 15.999 -1.000 bad 5381 151 B GLU OE2 16 O1H0u 0.660 1.420 47.308 -1.000 17.432 -1.000 bad 5382 152 B ASP N 12 N3H1s 0.700 1.640 4.266 21.071 13.895 1.516 possible 5383 152 B ASP CA 3 C4H1s 0.770 1.880 4.258 16.705 13.377 1.249 possible 5384 152 B ASP C 1 C3H0s 0.770 1.610 2.850 8.826 8.816 1.001 [OK] 5385 152 B ASP O 16 O1H0u 0.660 1.420 2.892 22.012 16.091 1.368 [OK] 5386 152 B ASP CB 8 C4H2s 0.770 1.880 7.342 46.730 23.481 1.990 possible 5387 152 B ASP CG 2 C3H0b 0.770 1.610 3.899 11.143 9.422 1.183 possible 5388 152 B ASP OD1 16 O1H0u 0.660 1.420 3.767 18.060 15.505 1.165 possible 5389 152 B ASP OD2 16 O1H0u 0.660 1.420 35.660 -1.000 16.324 -1.000 bad 5390 153 B GLU N 12 N3H1s 0.700 1.640 2.305 12.571 13.615 0.923 [OK] 5391 153 B GLU CA 3 C4H1s 0.770 1.880 2.902 13.837 13.399 1.033 [OK] 5392 153 B GLU C 1 C3H0s 0.770 1.610 2.868 10.863 8.675 1.252 [OK] 5393 153 B GLU O 16 O1H0u 0.660 1.420 2.396 15.358 16.023 0.959 [OK] 5394 153 B GLU CB 8 C4H2s 0.770 1.880 2.800 23.916 23.529 1.016 [OK] 5395 153 B GLU CG 8 C4H2s 0.770 1.880 2.834 20.574 23.513 0.875 [OK] 5396 153 B GLU CD 2 C3H0b 0.770 1.610 2.713 9.172 9.460 0.970 [OK] 5397 153 B GLU OE1 16 O1H0u 0.660 1.420 3.579 22.591 15.999 1.412 possible 5398 153 B GLU OE2 16 O1H0u 0.660 1.420 4.774 25.712 17.432 1.475 possible 5399 154 B TYR N 12 N3H1s 0.700 1.640 2.997 15.876 13.691 1.160 [OK] 5400 154 B TYR CA 3 C4H1s 0.770 1.880 2.653 12.629 13.330 0.947 [OK] 5401 154 B TYR C 1 C3H0s 0.770 1.610 2.261 7.649 8.770 0.872 [OK] 5402 154 B TYR O 16 O1H0u 0.660 1.420 2.330 13.803 16.124 0.856 [OK] 5403 154 B TYR CB 8 C4H2s 0.770 1.880 4.233 36.364 23.678 1.536 possible 5404 154 B TYR CG 2 C3H0b 0.770 1.610 3.333 11.300 9.732 1.161 possible 5405 154 B TYR CD1 5 C3H1s 0.770 1.760 2.790 20.695 20.171 1.026 [OK] 5406 154 B TYR CD2 5 C3H1s 0.770 1.760 5.169 47.194 20.728 2.277 possible 5407 154 B TYR CE1 5 C3H1s 0.770 1.760 2.618 18.262 20.675 0.883 [OK] 5408 154 B TYR CE2 5 C3H1s 0.770 1.760 4.465 39.281 20.810 1.888 possible 5409 154 B TYR CZ 2 C3H0b 0.770 1.610 2.288 9.260 9.926 0.933 [OK] 5410 154 B TYR OH 17 O2H1u 0.660 1.460 4.022 36.329 19.173 1.895 possible 5411 155 B LEU N 12 N3H1s 0.700 1.640 3.050 18.031 13.655 1.320 possible 5412 155 B LEU CA 3 C4H1s 0.770 1.880 2.710 13.349 13.122 1.017 [OK] 5413 155 B LEU C 1 C3H0s 0.770 1.610 2.621 10.162 8.825 1.152 [OK] 5414 155 B LEU O 16 O1H0u 0.660 1.420 2.979 21.023 16.208 1.297 [OK] 5415 155 B LEU CB 8 C4H2s 0.770 1.880 3.038 22.944 22.951 1.000 possible 5416 155 B LEU CG 4 C4H1b 0.770 1.880 3.260 13.458 14.764 0.912 possible 5417 155 B LEU CD1 10 C4H3u 0.770 1.880 4.029 42.473 37.425 1.135 possible 5418 155 B LEU CD2 10 C4H3u 0.770 1.880 3.464 34.983 37.143 0.942 possible 5419 156 B LEU N 12 N3H1s 0.700 1.640 2.689 12.471 13.655 0.913 [OK] 5420 156 B LEU CA 3 C4H1s 0.770 1.880 3.002 13.220 13.122 1.007 possible 5421 156 B LEU C 1 C3H0s 0.770 1.610 2.497 8.737 8.825 0.990 [OK] 5422 156 B LEU O 16 O1H0u 0.660 1.420 2.592 16.598 16.208 1.024 [OK] 5423 156 B LEU CB 8 C4H2s 0.770 1.880 2.967 20.486 22.951 0.893 [OK] 5424 156 B LEU CG 4 C4H1b 0.770 1.880 3.163 13.735 14.764 0.930 possible 5425 156 B LEU CD1 10 C4H3u 0.770 1.880 3.235 40.153 37.425 1.073 possible 5426 156 B LEU CD2 10 C4H3u 0.770 1.880 3.296 39.859 37.143 1.073 possible 5427 157 B ALA N 12 N3H1s 0.700 1.640 2.627 14.361 14.046 1.022 [OK] 5428 157 B ALA CA 4 C4H1b 0.770 1.880 2.759 13.010 14.063 0.925 [OK] 5429 157 B ALA C 1 C3H0s 0.770 1.610 2.351 9.063 8.900 1.018 [OK] 5430 157 B ALA O 16 O1H0u 0.660 1.420 2.380 14.924 16.188 0.922 [OK] 5431 157 B ALA CB 10 C4H3u 0.770 1.880 2.825 35.133 36.782 0.955 [OK] 5432 158 B THR N 12 N3H1s 0.700 1.640 2.575 13.902 13.832 1.005 [OK] 5433 158 B THR CA 3 C4H1s 0.770 1.880 2.488 12.363 13.099 0.944 [OK] 5434 158 B THR C 1 C3H0s 0.770 1.610 2.282 8.199 8.738 0.938 [OK] 5435 158 B THR O 16 O1H0u 0.660 1.420 2.598 19.325 16.020 1.206 [OK] 5436 158 B THR CB 4 C4H1b 0.770 1.880 2.634 13.733 14.829 0.926 [OK] 5437 158 B THR OG1 17 O2H1u 0.660 1.460 2.910 20.941 18.123 1.156 [OK] 5438 158 B THR CG2 10 C4H3u 0.770 1.880 3.353 35.431 36.542 0.970 possible 5439 159 B ASP N 12 N3H1s 0.700 1.640 2.327 11.899 13.895 0.856 [OK] 5440 159 B ASP CA 3 C4H1s 0.770 1.880 3.570 13.412 13.377 1.003 possible 5441 159 B ASP C 1 C3H0s 0.770 1.610 2.597 8.624 8.816 0.978 [OK] 5442 159 B ASP O 16 O1H0u 0.660 1.420 5.838 39.862 16.091 2.477 possible 5443 159 B ASP CB 8 C4H2s 0.770 1.880 19.733 -1.000 23.481 -1.000 bad 5444 159 B ASP CG 2 C3H0b 0.770 1.610 3.077 10.447 9.422 1.109 possible 5445 159 B ASP OD1 16 O1H0u 0.660 1.420 2.320 13.668 15.505 0.882 [OK] 5446 159 B ASP OD2 16 O1H0u 0.660 1.420 19.898 -1.000 16.324 -1.000 bad 5447 160 B ASN N 12 N3H1s 0.700 1.640 2.431 13.043 13.695 0.952 [OK] 5448 160 B ASN CA 3 C4H1s 0.770 1.880 2.578 10.774 13.167 0.818 [OK] 5449 160 B ASN C 1 C3H0s 0.770 1.610 2.910 9.992 8.928 1.119 [OK] 5450 160 B ASN O 16 O1H0u 0.660 1.420 2.906 19.970 16.199 1.233 [OK] 5451 160 B ASN CB 8 C4H2s 0.770 1.880 3.668 25.719 23.128 1.112 possible 5452 160 B ASN CG 2 C3H0b 0.770 1.610 3.148 10.700 9.599 1.115 possible 5453 160 B ASN OD1 16 O1H0u 0.660 1.420 6.729 47.364 16.664 2.842 possible 5454 160 B ASN ND2 15 N3H2u 0.700 1.640 7.717 97.463 23.083 4.222 possible 5455 161 B PRO N 11 N3H0u 0.700 1.640 2.949 9.396 8.823 1.065 [OK] 5456 161 B PRO CA 4 C4H1b 0.770 1.880 3.129 14.697 13.955 1.053 possible 5457 161 B PRO C 1 C3H0s 0.770 1.610 2.672 9.249 8.812 1.050 [OK] 5458 161 B PRO O 16 O1H0u 0.660 1.420 3.173 20.711 16.169 1.281 possible 5459 161 B PRO CB 9 C4H2b 0.770 1.880 2.959 25.114 25.563 0.982 [OK] 5460 161 B PRO CG 9 C4H2b 0.770 1.880 3.326 26.929 25.832 1.042 possible 5461 161 B PRO CD 8 C4H2s 0.770 1.880 3.902 35.102 23.836 1.473 possible 5462 162 B VAL N 12 N3H1s 0.700 1.640 3.002 14.702 13.676 1.075 possible 5463 162 B VAL CA 3 C4H1s 0.770 1.880 2.760 14.016 13.123 1.068 [OK] 5464 162 B VAL C 1 C3H0s 0.770 1.610 2.475 7.984 8.563 0.932 [OK] 5465 162 B VAL O 16 O1H0u 0.660 1.420 2.510 16.330 16.181 1.009 [OK] 5466 162 B VAL CB 4 C4H1b 0.770 1.880 3.105 14.724 14.598 1.009 possible 5467 162 B VAL CG1 10 C4H3u 0.770 1.880 3.636 42.961 36.584 1.174 possible 5468 162 B VAL CG2 10 C4H3u 0.770 1.880 3.446 39.331 36.332 1.083 possible 5469 163 B VAL N 12 N3H1s 0.700 1.640 2.654 14.122 13.676 1.033 [OK] 5470 163 B VAL CA 3 C4H1s 0.770 1.880 2.559 11.375 13.123 0.867 [OK] 5471 163 B VAL C 1 C3H0s 0.770 1.610 2.644 8.221 8.563 0.960 [OK] 5472 163 B VAL O 16 O1H0u 0.660 1.420 2.490 16.587 16.181 1.025 [OK] 5473 163 B VAL CB 4 C4H1b 0.770 1.880 3.071 16.063 14.598 1.100 possible 5474 163 B VAL CG1 10 C4H3u 0.770 1.880 2.900 30.230 36.584 0.826 [OK] 5475 163 B VAL CG2 10 C4H3u 0.770 1.880 2.966 32.567 36.332 0.896 [OK] 5476 164 B VAL N 12 N3H1s 0.700 1.640 2.757 13.263 13.676 0.970 [OK] 5477 164 B VAL CA 3 C4H1s 0.770 1.880 2.558 12.068 13.123 0.920 [OK] 5478 164 B VAL C 1 C3H0s 0.770 1.610 2.520 9.363 8.563 1.093 [OK] 5479 164 B VAL O 16 O1H0u 0.660 1.420 2.525 15.411 16.181 0.952 [OK] 5480 164 B VAL CB 4 C4H1b 0.770 1.880 2.960 14.443 14.598 0.989 [OK] 5481 164 B VAL CG1 10 C4H3u 0.770 1.880 3.539 42.454 36.584 1.160 possible 5482 164 B VAL CG2 10 C4H3u 0.770 1.880 3.172 39.441 36.332 1.086 possible 5483 165 B PRO N 11 N3H0u 0.700 1.640 2.459 8.713 8.823 0.988 [OK] 5484 165 B PRO CA 4 C4H1b 0.770 1.880 2.592 12.923 13.955 0.926 [OK] 5485 165 B PRO C 1 C3H0s 0.770 1.610 2.655 9.548 8.812 1.084 [OK] 5486 165 B PRO O 16 O1H0u 0.660 1.420 2.586 17.467 16.169 1.080 [OK] 5487 165 B PRO CB 9 C4H2b 0.770 1.880 3.184 26.937 25.563 1.054 possible 5488 165 B PRO CG 9 C4H2b 0.770 1.880 4.194 35.586 25.832 1.378 possible 5489 165 B PRO CD 8 C4H2s 0.770 1.880 3.090 23.969 23.836 1.006 possible 5490 166 B VAL N 12 N3H1s 0.700 1.640 2.856 14.362 13.676 1.050 [OK] 5491 166 B VAL CA 3 C4H1s 0.770 1.880 3.039 14.948 13.123 1.139 possible 5492 166 B VAL C 1 C3H0s 0.770 1.610 2.502 8.354 8.563 0.976 [OK] 5493 166 B VAL O 16 O1H0u 0.660 1.420 3.057 20.688 16.181 1.279 possible 5494 166 B VAL CB 4 C4H1b 0.770 1.880 3.176 17.575 14.598 1.204 possible 5495 166 B VAL CG1 10 C4H3u 0.770 1.880 2.937 28.347 36.584 0.775 [OK] 5496 166 B VAL CG2 10 C4H3u 0.770 1.880 3.016 36.194 36.332 0.996 possible 5497 167 B GLY N 12 N3H1s 0.700 1.640 3.002 16.055 14.854 1.081 possible 5498 167 B GLY CA 8 C4H2s 0.770 1.880 3.218 24.897 23.688 1.051 possible 5499 167 B GLY C 2 C3H0b 0.770 1.610 2.605 10.012 9.840 1.017 [OK] 5500 167 B GLY O 16 O1H0u 0.660 1.420 4.347 44.125 16.391 2.692 possible 5501 168 B LYS N 12 N3H1s 0.700 1.640 2.529 13.643 13.675 0.998 [OK] 5502 168 B LYS CA 3 C4H1s 0.770 1.880 3.185 13.731 13.324 1.031 possible 5503 168 B LYS C 1 C3H0s 0.770 1.610 3.259 10.348 8.759 1.181 possible 5504 168 B LYS O 16 O1H0u 0.660 1.420 2.430 14.146 16.049 0.881 [OK] 5505 168 B LYS CB 8 C4H2s 0.770 1.880 3.208 25.337 22.904 1.106 possible 5506 168 B LYS CG 8 C4H2s 0.770 1.880 4.136 30.997 23.131 1.340 possible 5507 168 B LYS CD 8 C4H2s 0.770 1.880 3.654 25.432 23.837 1.067 possible 5508 168 B LYS CE 9 C4H2b 0.770 1.880 4.671 55.334 23.934 2.312 possible 5509 168 B LYS NZ 14 N4H3u 0.700 1.640 3.563 37.399 21.213 1.763 possible 5510 169 B LYS N 12 N3H1s 0.700 1.640 3.397 16.303 13.675 1.192 possible 5511 169 B LYS CA 3 C4H1s 0.770 1.880 2.837 14.771 13.324 1.109 [OK] 5512 169 B LYS C 1 C3H0s 0.770 1.610 2.898 10.454 8.759 1.194 [OK] 5513 169 B LYS O 16 O1H0u 0.660 1.420 2.699 16.913 16.049 1.054 [OK] 5514 169 B LYS CB 8 C4H2s 0.770 1.880 3.152 26.341 22.904 1.150 possible 5515 169 B LYS CG 8 C4H2s 0.770 1.880 4.560 40.770 23.131 1.763 possible 5516 169 B LYS CD 8 C4H2s 0.770 1.880 4.714 38.050 23.837 1.596 possible 5517 169 B LYS CE 9 C4H2b 0.770 1.880 5.717 104.574 23.934 4.369 possible 5518 169 B LYS NZ 14 N4H3u 0.700 1.640 31.233 -1.000 21.213 -1.000 bad 5519 170 B VAL N 12 N3H1s 0.700 1.640 2.860 13.666 13.676 0.999 [OK] 5520 170 B VAL CA 3 C4H1s 0.770 1.880 2.766 12.195 13.123 0.929 [OK] 5521 170 B VAL C 1 C3H0s 0.770 1.610 2.897 9.283 8.563 1.084 [OK] 5522 170 B VAL O 16 O1H0u 0.660 1.420 2.698 17.200 16.181 1.063 [OK] 5523 170 B VAL CB 4 C4H1b 0.770 1.880 2.616 13.710 14.598 0.939 [OK] 5524 170 B VAL CG1 10 C4H3u 0.770 1.880 3.326 38.766 36.584 1.060 possible 5525 170 B VAL CG2 10 C4H3u 0.770 1.880 3.182 41.783 36.332 1.150 possible 5526 171 B LEU N 12 N3H1s 0.700 1.640 2.867 14.370 13.655 1.052 [OK] 5527 171 B LEU CA 3 C4H1s 0.770 1.880 2.840 11.969 13.122 0.912 [OK] 5528 171 B LEU C 1 C3H0s 0.770 1.610 2.493 8.524 8.825 0.966 [OK] 5529 171 B LEU O 16 O1H0u 0.660 1.420 2.382 17.241 16.208 1.064 [OK] 5530 171 B LEU CB 8 C4H2s 0.770 1.880 3.027 23.674 22.951 1.032 possible 5531 171 B LEU CG 4 C4H1b 0.770 1.880 2.948 16.897 14.764 1.145 [OK] 5532 171 B LEU CD1 10 C4H3u 0.770 1.880 2.893 30.796 37.425 0.823 [OK] 5533 171 B LEU CD2 10 C4H3u 0.770 1.880 6.310 65.837 37.143 1.773 possible 5534 172 B VAL N 12 N3H1s 0.700 1.640 2.623 12.736 13.676 0.931 [OK] 5535 172 B VAL CA 3 C4H1s 0.770 1.880 2.695 12.013 13.123 0.915 [OK] 5536 172 B VAL C 1 C3H0s 0.770 1.610 2.543 8.902 8.563 1.040 [OK] 5537 172 B VAL O 16 O1H0u 0.660 1.420 2.667 17.767 16.181 1.098 [OK] 5538 172 B VAL CB 4 C4H1b 0.770 1.880 2.681 12.889 14.598 0.883 [OK] 5539 172 B VAL CG1 10 C4H3u 0.770 1.880 3.255 37.129 36.584 1.015 possible 5540 172 B VAL CG2 10 C4H3u 0.770 1.880 3.397 35.367 36.332 0.973 possible 5541 173 B GLN N 12 N3H1s 0.700 1.640 2.571 13.193 13.616 0.969 [OK] 5542 173 B GLN CA 3 C4H1s 0.770 1.880 2.744 13.071 13.334 0.980 [OK] 5543 173 B GLN C 1 C3H0s 0.770 1.610 2.710 9.279 8.787 1.056 [OK] 5544 173 B GLN O 16 O1H0u 0.660 1.420 2.605 15.749 15.993 0.985 [OK] 5545 173 B GLN CB 8 C4H2s 0.770 1.880 2.992 20.774 23.275 0.893 [OK] 5546 173 B GLN CG 8 C4H2s 0.770 1.880 3.030 28.786 23.465 1.227 possible 5547 173 B GLN CD 2 C3H0b 0.770 1.610 2.749 9.944 9.659 1.029 [OK] 5548 173 B GLN OE1 16 O1H0u 0.660 1.420 28.316 -1.000 17.091 -1.000 bad 5549 173 B GLN NE2 15 N3H2u 0.700 1.640 7.471 59.368 24.150 2.458 possible 5550 174 B VAL N 12 N3H1s 0.700 1.640 2.821 13.783 13.676 1.008 [OK] 5551 174 B VAL CA 3 C4H1s 0.770 1.880 2.582 11.934 13.123 0.909 [OK] 5552 174 B VAL C 1 C3H0s 0.770 1.610 2.774 9.328 8.563 1.089 [OK] 5553 174 B VAL O 16 O1H0u 0.660 1.420 2.587 15.642 16.181 0.967 [OK] 5554 174 B VAL CB 4 C4H1b 0.770 1.880 3.199 18.143 14.598 1.243 possible 5555 174 B VAL CG1 10 C4H3u 0.770 1.880 3.160 35.779 36.584 0.978 possible 5556 174 B VAL CG2 10 C4H3u 0.770 1.880 3.160 34.351 36.332 0.945 possible 5557 175 B THR N 12 N3H1s 0.700 1.640 2.880 13.984 13.832 1.011 [OK] 5558 175 B THR CA 3 C4H1s 0.770 1.880 2.552 13.763 13.099 1.051 [OK] 5559 175 B THR C 1 C3H0s 0.770 1.610 2.612 8.557 8.738 0.979 [OK] 5560 175 B THR O 16 O1H0u 0.660 1.420 2.679 15.505 16.020 0.968 [OK] 5561 175 B THR CB 4 C4H1b 0.770 1.880 2.769 12.942 14.829 0.873 [OK] 5562 175 B THR OG1 17 O2H1u 0.660 1.460 5.203 33.460 18.123 1.846 possible 5563 175 B THR CG2 10 C4H3u 0.770 1.880 4.792 48.190 36.542 1.319 possible 5564 176 B ALA N 12 N3H1s 0.700 1.640 2.801 15.039 14.046 1.071 [OK] 5565 176 B ALA CA 4 C4H1b 0.770 1.880 2.823 12.842 14.063 0.913 [OK] 5566 176 B ALA C 1 C3H0s 0.770 1.610 2.941 10.284 8.900 1.156 [OK] 5567 176 B ALA O 16 O1H0u 0.660 1.420 5.557 36.324 16.188 2.244 possible 5568 176 B ALA CB 10 C4H3u 0.770 1.880 2.885 30.591 36.782 0.832 [OK] 5569 177 B THR N 12 N3H1s 0.700 1.640 2.555 13.966 13.832 1.010 [OK] 5570 177 B THR CA 3 C4H1s 0.770 1.880 6.147 19.287 13.099 1.472 possible 5571 177 B THR C 1 C3H0s 0.770 1.610 3.482 9.744 8.738 1.115 possible 5572 177 B THR O 16 O1H0u 0.660 1.420 26.720 -1.000 16.020 -1.000 bad 5573 177 B THR CB 4 C4H1b 0.770 1.880 16.490 -1.000 14.829 -1.000 bad 5574 177 B THR OG1 17 O2H1u 0.660 1.460 4.385 -1.000 18.123 -1.000 bad 5575 177 B THR CG2 10 C4H3u 0.770 1.880 35.560 -1.000 36.542 -1.000 bad 5576 178 B ASP N 12 N3H1s 0.700 1.640 3.005 15.166 13.895 1.091 possible 5577 178 B ASP CA 3 C4H1s 0.770 1.880 7.144 24.916 13.377 1.863 possible 5578 178 B ASP C 1 C3H0s 0.770 1.610 3.592 10.116 8.816 1.147 possible 5579 178 B ASP O 16 O1H0u 0.660 1.420 5.142 38.080 16.091 2.367 possible 5580 178 B ASP CB 8 C4H2s 0.770 1.880 25.015 -1.000 23.481 -1.000 bad 5581 178 B ASP CG 2 C3H0b 0.770 1.610 2.735 8.209 9.422 0.871 [OK] 5582 178 B ASP OD1 16 O1H0u 0.660 1.420 2.411 15.450 15.505 0.996 [OK] 5583 178 B ASP OD2 16 O1H0u 0.660 1.420 10.801 -1.000 16.324 -1.000 bad 5584 179 B VAL N 12 N3H1s 0.700 1.640 2.557 13.071 13.676 0.956 [OK] 5585 179 B VAL CA 3 C4H1s 0.770 1.880 2.724 13.650 13.123 1.040 [OK] 5586 179 B VAL C 1 C3H0s 0.770 1.610 2.516 9.542 8.563 1.114 [OK] 5587 179 B VAL O 16 O1H0u 0.660 1.420 2.465 14.688 16.181 0.908 [OK] 5588 179 B VAL CB 4 C4H1b 0.770 1.880 2.944 14.584 14.598 0.999 [OK] 5589 179 B VAL CG1 10 C4H3u 0.770 1.880 3.503 35.180 36.584 0.962 possible 5590 179 B VAL CG2 10 C4H3u 0.770 1.880 4.020 47.856 36.332 1.317 possible 5591 180 B ILE N 12 N3H1s 0.700 1.640 3.260 15.445 13.633 1.133 possible 5592 180 B ILE CA 3 C4H1s 0.770 1.880 2.418 11.604 13.007 0.892 [OK] 5593 180 B ILE C 1 C3H0s 0.770 1.610 2.350 8.173 8.470 0.965 [OK] 5594 180 B ILE O 16 O1H0u 0.660 1.420 2.914 18.117 16.144 1.122 [OK] 5595 180 B ILE CB 4 C4H1b 0.770 1.880 3.757 22.874 14.227 1.608 possible 5596 180 B ILE CG1 9 C4H2b 0.770 1.880 2.902 23.004 24.187 0.951 [OK] 5597 180 B ILE CG2 10 C4H3u 0.770 1.880 3.398 36.435 35.961 1.013 possible 5598 180 B ILE CD1 10 C4H3u 0.770 1.880 3.241 38.130 38.377 0.994 possible 5599 181 B HIS N 12 N3H1s 0.700 1.640 2.354 12.442 13.715 0.907 [OK] 5600 181 B HIS CA 3 C4H1s 0.770 1.880 2.630 13.974 13.467 1.038 [OK] 5601 181 B HIS C 1 C3H0s 0.770 1.610 2.384 8.546 8.882 0.962 [OK] 5602 181 B HIS O 16 O1H0u 0.660 1.420 2.444 14.224 16.082 0.884 [OK] 5603 181 B HIS CB 8 C4H2s 0.770 1.880 2.753 20.989 23.653 0.887 [OK] 5604 181 B HIS CG 2 C3H0b 0.770 1.610 2.560 9.911 9.952 0.996 [OK] 5605 181 B HIS ND1 13 N3H1b 0.700 1.640 2.510 10.712 15.506 0.691 [OK] 5606 181 B HIS CD2 5 C3H1s 0.770 1.760 2.595 17.291 21.085 0.820 [OK] 5607 181 B HIS CE1 5 C3H1s 0.770 1.760 2.977 22.094 20.636 1.071 [OK] 5608 181 B HIS NE2 13 N3H1b 0.700 1.640 2.603 16.897 15.337 1.102 [OK] 5609 182 B ALA N 12 N3H1s 0.700 1.640 2.517 14.995 14.046 1.068 [OK] 5610 182 B ALA CA 4 C4H1b 0.770 1.880 2.710 12.679 14.063 0.902 [OK] 5611 182 B ALA C 1 C3H0s 0.770 1.610 2.788 9.348 8.900 1.050 [OK] 5612 182 B ALA O 16 O1H0u 0.660 1.420 2.454 18.195 16.188 1.124 [OK] 5613 182 B ALA CB 10 C4H3u 0.770 1.880 3.131 33.021 36.782 0.898 possible 5614 183 B TRP N 12 N3H1s 0.700 1.640 2.845 15.605 13.791 1.132 [OK] 5615 183 B TRP CA 3 C4H1s 0.770 1.880 2.591 12.959 13.377 0.969 [OK] 5616 183 B TRP C 1 C3H0s 0.770 1.610 2.719 9.164 8.724 1.050 [OK] 5617 183 B TRP O 16 O1H0u 0.660 1.420 2.571 17.646 15.951 1.106 [OK] 5618 183 B TRP CB 8 C4H2s 0.770 1.880 3.048 25.992 24.004 1.083 possible 5619 183 B TRP CG 2 C3H0b 0.770 1.610 2.600 10.022 9.965 1.006 [OK] 5620 183 B TRP CD1 5 C3H1s 0.770 1.760 2.693 18.642 20.874 0.893 [OK] 5621 183 B TRP CD2 2 C3H0b 0.770 1.610 2.709 11.060 10.097 1.095 [OK] 5622 183 B TRP NE1 13 N3H1b 0.700 1.640 2.638 15.265 16.969 0.900 [OK] 5623 183 B TRP CE2 2 C3H0b 0.770 1.610 2.787 11.354 9.889 1.148 [OK] 5624 183 B TRP CE3 6 C3H1b 0.770 1.760 2.956 21.578 20.448 1.055 [OK] 5625 183 B TRP CZ2 6 C3H1b 0.770 1.760 3.166 28.408 21.012 1.352 possible 5626 183 B TRP CZ3 6 C3H1b 0.770 1.760 2.969 22.727 21.516 1.056 [OK] 5627 183 B TRP CH2 6 C3H1b 0.770 1.760 3.452 28.087 21.339 1.316 possible 5628 184 B THR N 12 N3H1s 0.700 1.640 2.717 15.481 13.832 1.119 [OK] 5629 184 B THR CA 3 C4H1s 0.770 1.880 3.053 13.567 13.099 1.036 possible 5630 184 B THR C 1 C3H0s 0.770 1.610 2.556 9.072 8.738 1.038 [OK] 5631 184 B THR O 16 O1H0u 0.660 1.420 2.431 16.259 16.020 1.015 [OK] 5632 184 B THR CB 4 C4H1b 0.770 1.880 3.032 14.264 14.829 0.962 possible 5633 184 B THR OG1 17 O2H1u 0.660 1.460 3.147 22.547 18.123 1.244 possible 5634 184 B THR CG2 10 C4H3u 0.770 1.880 3.096 34.115 36.542 0.934 possible 5635 185 B ILE N 12 N3H1s 0.700 1.640 2.617 14.082 13.633 1.033 [OK] 5636 185 B ILE CA 3 C4H1s 0.770 1.880 2.439 11.122 13.007 0.855 [OK] 5637 185 B ILE C 1 C3H0s 0.770 1.610 2.515 8.071 8.470 0.953 [OK] 5638 185 B ILE O 16 O1H0u 0.660 1.420 2.914 15.429 16.144 0.956 [OK] 5639 185 B ILE CB 4 C4H1b 0.770 1.880 2.865 13.668 14.227 0.961 [OK] 5640 185 B ILE CG1 9 C4H2b 0.770 1.880 3.062 25.418 24.187 1.051 possible 5641 185 B ILE CG2 10 C4H3u 0.770 1.880 2.737 30.519 35.961 0.849 [OK] 5642 185 B ILE CD1 10 C4H3u 0.770 1.880 2.850 31.723 38.377 0.827 [OK] 5643 186 B PRO N 11 N3H0u 0.700 1.640 2.689 9.183 8.823 1.041 [OK] 5644 186 B PRO CA 4 C4H1b 0.770 1.880 3.730 21.716 13.955 1.556 possible 5645 186 B PRO C 1 C3H0s 0.770 1.610 2.927 9.296 8.812 1.055 [OK] 5646 186 B PRO O 16 O1H0u 0.660 1.420 2.650 16.747 16.169 1.036 [OK] 5647 186 B PRO CB 9 C4H2b 0.770 1.880 3.630 36.060 25.563 1.411 possible 5648 186 B PRO CG 9 C4H2b 0.770 1.880 3.745 32.551 25.832 1.260 possible 5649 186 B PRO CD 8 C4H2s 0.770 1.880 2.739 22.860 23.836 0.959 [OK] 5650 187 B ALA N 12 N3H1s 0.700 1.640 2.762 13.152 14.046 0.936 [OK] 5651 187 B ALA CA 4 C4H1b 0.770 1.880 3.059 16.963 14.063 1.206 possible 5652 187 B ALA C 1 C3H0s 0.770 1.610 2.618 8.876 8.900 0.997 [OK] 5653 187 B ALA O 16 O1H0u 0.660 1.420 2.636 15.684 16.188 0.969 [OK] 5654 187 B ALA CB 10 C4H3u 0.770 1.880 2.995 34.526 36.782 0.939 [OK] 5655 188 B PHE N 12 N3H1s 0.700 1.640 2.248 11.351 13.691 0.829 [OK] 5656 188 B PHE CA 3 C4H1s 0.770 1.880 2.519 11.908 13.449 0.885 [OK] 5657 188 B PHE C 1 C3H0s 0.770 1.610 2.239 8.675 8.753 0.991 [OK] 5658 188 B PHE O 16 O1H0u 0.660 1.420 2.405 16.297 16.151 1.009 [OK] 5659 188 B PHE CB 8 C4H2s 0.770 1.880 2.721 21.928 23.777 0.922 [OK] 5660 188 B PHE CG 2 C3H0b 0.770 1.610 2.886 10.297 9.721 1.059 [OK] 5661 188 B PHE CD1 5 C3H1s 0.770 1.760 3.008 18.601 20.405 0.912 possible 5662 188 B PHE CD2 6 C3H1b 0.770 1.760 2.969 20.061 21.051 0.953 [OK] 5663 188 B PHE CE1 6 C3H1b 0.770 1.760 2.660 19.519 21.580 0.904 [OK] 5664 188 B PHE CE2 6 C3H1b 0.770 1.760 3.021 21.379 21.680 0.986 possible 5665 188 B PHE CZ 6 C3H1b 0.770 1.760 2.860 17.837 21.666 0.823 [OK] 5666 189 B ALA N 12 N3H1s 0.700 1.640 2.565 12.197 14.046 0.868 [OK] 5667 189 B ALA CA 4 C4H1b 0.770 1.880 3.260 14.231 14.063 1.012 possible 5668 189 B ALA C 1 C3H0s 0.770 1.610 3.012 10.339 8.900 1.162 possible 5669 189 B ALA O 16 O1H0u 0.660 1.420 2.741 19.240 16.188 1.189 [OK] 5670 189 B ALA CB 10 C4H3u 0.770 1.880 3.213 33.996 36.782 0.924 possible 5671 190 B VAL N 12 N3H1s 0.700 1.640 3.123 15.086 13.676 1.103 possible 5672 190 B VAL CA 3 C4H1s 0.770 1.880 2.552 12.239 13.123 0.933 [OK] 5673 190 B VAL C 1 C3H0s 0.770 1.610 2.942 9.981 8.563 1.166 [OK] 5674 190 B VAL O 16 O1H0u 0.660 1.420 2.894 16.995 16.181 1.050 [OK] 5675 190 B VAL CB 4 C4H1b 0.770 1.880 2.746 14.114 14.598 0.967 [OK] 5676 190 B VAL CG1 10 C4H3u 0.770 1.880 2.784 34.665 36.584 0.948 [OK] 5677 190 B VAL CG2 10 C4H3u 0.770 1.880 3.076 36.226 36.332 0.997 possible 5678 191 B LYS N 12 N3H1s 0.700 1.640 2.698 15.208 13.675 1.112 [OK] 5679 191 B LYS CA 3 C4H1s 0.770 1.880 2.698 12.123 13.324 0.910 [OK] 5680 191 B LYS C 1 C3H0s 0.770 1.610 2.594 8.546 8.759 0.976 [OK] 5681 191 B LYS O 16 O1H0u 0.660 1.420 2.505 18.829 16.049 1.173 [OK] 5682 191 B LYS CB 8 C4H2s 0.770 1.880 3.036 20.412 22.904 0.891 possible 5683 191 B LYS CG 8 C4H2s 0.770 1.880 3.205 26.087 23.131 1.128 possible 5684 191 B LYS CD 8 C4H2s 0.770 1.880 3.380 27.047 23.837 1.135 possible 5685 191 B LYS CE 9 C4H2b 0.770 1.880 3.088 23.728 23.934 0.991 possible 5686 191 B LYS NZ 14 N4H3u 0.700 1.640 3.259 30.528 21.213 1.439 possible 5687 192 B GLN N 12 N3H1s 0.700 1.640 2.647 13.993 13.616 1.028 [OK] 5688 192 B GLN CA 3 C4H1s 0.770 1.880 2.716 13.074 13.334 0.980 [OK] 5689 192 B GLN C 1 C3H0s 0.770 1.610 2.733 9.621 8.787 1.095 [OK] 5690 192 B GLN O 16 O1H0u 0.660 1.420 2.616 17.987 15.993 1.125 [OK] 5691 192 B GLN CB 8 C4H2s 0.770 1.880 3.077 23.063 23.275 0.991 possible 5692 192 B GLN CG 8 C4H2s 0.770 1.880 3.109 21.681 23.465 0.924 possible 5693 192 B GLN CD 2 C3H0b 0.770 1.610 3.576 10.125 9.659 1.048 possible 5694 192 B GLN OE1 16 O1H0u 0.660 1.420 3.701 23.710 17.091 1.387 possible 5695 192 B GLN NE2 15 N3H2u 0.700 1.640 4.002 34.650 24.150 1.435 possible 5696 193 B ASP N 12 N3H1s 0.700 1.640 2.661 13.620 13.895 0.980 [OK] 5697 193 B ASP CA 3 C4H1s 0.770 1.880 2.519 12.403 13.377 0.927 [OK] 5698 193 B ASP C 1 C3H0s 0.770 1.610 2.537 9.118 8.816 1.034 [OK] 5699 193 B ASP O 16 O1H0u 0.660 1.420 3.033 21.104 16.091 1.312 possible 5700 193 B ASP CB 8 C4H2s 0.770 1.880 3.073 25.992 23.481 1.107 possible 5701 193 B ASP CG 2 C3H0b 0.770 1.610 2.591 9.638 9.422 1.023 [OK] 5702 193 B ASP OD1 16 O1H0u 0.660 1.420 2.750 20.425 15.505 1.317 [OK] 5703 193 B ASP OD2 16 O1H0u 0.660 1.420 2.867 21.811 16.324 1.336 [OK] 5704 194 B ALA N 12 N3H1s 0.700 1.640 2.882 14.535 14.046 1.035 [OK] 5705 194 B ALA CA 4 C4H1b 0.770 1.880 2.714 14.161 14.063 1.007 [OK] 5706 194 B ALA C 1 C3H0s 0.770 1.610 2.485 9.228 8.900 1.037 [OK] 5707 194 B ALA O 16 O1H0u 0.660 1.420 2.293 15.136 16.188 0.935 [OK] 5708 194 B ALA CB 10 C4H3u 0.770 1.880 3.121 38.243 36.782 1.040 possible 5709 195 B VAL N 12 N3H1s 0.700 1.640 2.446 13.639 13.676 0.997 [OK] 5710 195 B VAL CA 3 C4H1s 0.770 1.880 2.412 11.269 13.123 0.859 [OK] 5711 195 B VAL C 1 C3H0s 0.770 1.610 2.272 8.652 8.563 1.010 [OK] 5712 195 B VAL O 16 O1H0u 0.660 1.420 2.260 15.271 16.181 0.944 [OK] 5713 195 B VAL CB 4 C4H1b 0.770 1.880 3.363 14.705 14.598 1.007 possible 5714 195 B VAL CG1 10 C4H3u 0.770 1.880 3.170 34.931 36.584 0.955 possible 5715 195 B VAL CG2 10 C4H3u 0.770 1.880 3.505 41.074 36.332 1.131 possible 5716 196 B PRO N 11 N3H0u 0.700 1.640 2.365 8.674 8.823 0.983 [OK] 5717 196 B PRO CA 4 C4H1b 0.770 1.880 3.189 14.000 13.955 1.003 possible 5718 196 B PRO C 1 C3H0s 0.770 1.610 2.625 8.357 8.812 0.948 [OK] 5719 196 B PRO O 16 O1H0u 0.660 1.420 3.354 21.850 16.169 1.351 possible 5720 196 B PRO CB 9 C4H2b 0.770 1.880 4.262 31.477 25.563 1.231 possible 5721 196 B PRO CG 9 C4H2b 0.770 1.880 2.875 24.138 25.832 0.934 [OK] 5722 196 B PRO CD 8 C4H2s 0.770 1.880 2.900 25.058 23.836 1.051 [OK] 5723 197 B GLY N 12 N3H1s 0.700 1.640 6.654 47.931 14.854 3.227 possible 5724 197 B GLY CA 8 C4H2s 0.770 1.880 30.695 -1.000 23.688 -1.000 bad 5725 197 B GLY C 2 C3H0b 0.770 1.610 4.466 14.343 9.840 1.458 possible 5726 197 B GLY O 16 O1H0u 0.660 1.420 32.177 -1.000 16.391 -1.000 bad 5727 198 B ARG N 12 N3H1s 0.700 1.640 3.608 16.655 13.650 1.220 possible 5728 198 B ARG CA 3 C4H1s 0.770 1.880 5.416 19.200 13.422 1.431 possible 5729 198 B ARG C 1 C3H0s 0.770 1.610 3.103 9.808 8.838 1.110 possible 5730 198 B ARG O 16 O1H0u 0.660 1.420 2.715 13.993 16.084 0.870 [OK] 5731 198 B ARG CB 8 C4H2s 0.770 1.880 4.003 28.745 23.088 1.245 possible 5732 198 B ARG CG 8 C4H2s 0.770 1.880 17.723 -1.000 23.640 -1.000 bad 5733 198 B ARG CD 8 C4H2s 0.770 1.880 3.662 25.736 23.300 1.105 possible 5734 198 B ARG NE 13 N3H1b 0.700 1.640 6.271 24.641 15.569 1.583 possible 5735 198 B ARG CZ 2 C3H0b 0.770 1.610 6.802 15.084 9.747 1.548 possible 5736 198 B ARG NH1 15 N3H2u 0.700 1.640 17.989 -1.000 22.782 -1.000 bad 5737 198 B ARG NH2 15 N3H2u 0.700 1.640 37.782 -1.000 23.810 -1.000 bad 5738 199 B ILE N 12 N3H1s 0.700 1.640 9.463 -1.000 13.633 -1.000 bad 5739 199 B ILE CA 3 C4H1s 0.770 1.880 2.659 11.818 13.007 0.909 [OK] 5740 199 B ILE C 1 C3H0s 0.770 1.610 3.486 9.296 8.470 1.097 possible 5741 199 B ILE O 16 O1H0u 0.660 1.420 20.587 -1.000 16.144 -1.000 bad 5742 199 B ILE CB 4 C4H1b 0.770 1.880 8.620 -1.000 14.227 -1.000 bad 5743 199 B ILE CG1 9 C4H2b 0.770 1.880 4.990 38.305 24.187 1.584 possible 5744 199 B ILE CG2 10 C4H3u 0.770 1.880 6.198 51.982 35.961 1.446 possible 5745 199 B ILE CD1 10 C4H3u 0.770 1.880 45.108 -1.000 38.377 -1.000 bad 5746 200 B ALA N 12 N3H1s 0.700 1.640 3.539 15.835 14.046 1.127 possible 5747 200 B ALA CA 4 C4H1b 0.770 1.880 6.016 27.452 14.063 1.952 possible 5748 200 B ALA C 1 C3H0s 0.770 1.610 2.671 9.325 8.900 1.048 [OK] 5749 200 B ALA O 16 O1H0u 0.660 1.420 2.709 16.445 16.188 1.016 [OK] 5750 200 B ALA CB 10 C4H3u 0.770 1.880 4.119 48.425 36.782 1.317 possible 5751 201 B GLN N 12 N3H1s 0.700 1.640 5.585 32.438 13.616 2.382 possible 5752 201 B GLN CA 3 C4H1s 0.770 1.880 2.982 12.411 13.334 0.931 [OK] 5753 201 B GLN C 1 C3H0s 0.770 1.610 2.850 9.925 8.787 1.130 [OK] 5754 201 B GLN O 16 O1H0u 0.660 1.420 4.622 27.215 15.993 1.702 possible 5755 201 B GLN CB 8 C4H2s 0.770 1.880 4.980 25.378 23.275 1.090 possible 5756 201 B GLN CG 8 C4H2s 0.770 1.880 3.880 30.495 23.465 1.300 possible 5757 201 B GLN CD 2 C3H0b 0.770 1.610 5.061 13.957 9.659 1.445 possible 5758 201 B GLN OE1 16 O1H0u 0.660 1.420 27.200 -1.000 17.091 -1.000 bad 5759 201 B GLN NE2 15 N3H2u 0.700 1.640 23.145 -1.000 24.150 -1.000 bad 5760 202 B LEU N 12 N3H1s 0.700 1.640 2.867 12.811 13.655 0.938 [OK] 5761 202 B LEU CA 3 C4H1s 0.770 1.880 3.383 14.038 13.122 1.070 possible 5762 202 B LEU C 1 C3H0s 0.770 1.610 2.149 7.631 8.825 0.865 [OK] 5763 202 B LEU O 16 O1H0u 0.660 1.420 2.442 12.837 16.208 0.792 [OK] 5764 202 B LEU CB 8 C4H2s 0.770 1.880 3.225 25.968 22.951 1.131 possible 5765 202 B LEU CG 4 C4H1b 0.770 1.880 3.144 15.583 14.764 1.056 possible 5766 202 B LEU CD1 10 C4H3u 0.770 1.880 2.801 29.214 37.425 0.781 [OK] 5767 202 B LEU CD2 10 C4H3u 0.770 1.880 3.062 37.578 37.143 1.012 possible 5768 203 B TRP N 12 N3H1s 0.700 1.640 2.473 13.707 13.791 0.994 [OK] 5769 203 B TRP CA 3 C4H1s 0.770 1.880 2.788 12.241 13.377 0.915 [OK] 5770 203 B TRP C 1 C3H0s 0.770 1.610 2.196 7.999 8.724 0.917 [OK] 5771 203 B TRP O 16 O1H0u 0.660 1.420 2.295 14.687 15.951 0.921 [OK] 5772 203 B TRP CB 8 C4H2s 0.770 1.880 3.235 23.908 24.004 0.996 possible 5773 203 B TRP CG 2 C3H0b 0.770 1.610 2.316 8.356 9.965 0.839 [OK] 5774 203 B TRP CD1 5 C3H1s 0.770 1.760 2.686 18.559 20.874 0.889 [OK] 5775 203 B TRP CD2 2 C3H0b 0.770 1.610 2.992 10.490 10.097 1.039 [OK] 5776 203 B TRP NE1 13 N3H1b 0.700 1.640 2.729 18.847 16.969 1.111 [OK] 5777 203 B TRP CE2 2 C3H0b 0.770 1.610 3.417 12.277 9.889 1.242 possible 5778 203 B TRP CE3 6 C3H1b 0.770 1.760 3.085 21.347 20.448 1.044 possible 5779 203 B TRP CZ2 6 C3H1b 0.770 1.760 4.764 35.328 21.012 1.681 possible 5780 203 B TRP CZ3 6 C3H1b 0.770 1.760 3.606 28.148 21.516 1.308 possible 5781 203 B TRP CH2 6 C3H1b 0.770 1.760 4.486 39.392 21.339 1.846 possible 5782 204 B PHE N 12 N3H1s 0.700 1.640 2.632 11.931 13.691 0.871 [OK] 5783 204 B PHE CA 3 C4H1s 0.770 1.880 3.165 14.965 13.449 1.113 possible 5784 204 B PHE C 1 C3H0s 0.770 1.610 2.462 8.216 8.753 0.939 [OK] 5785 204 B PHE O 16 O1H0u 0.660 1.420 2.585 16.544 16.151 1.024 [OK] 5786 204 B PHE CB 8 C4H2s 0.770 1.880 2.975 24.475 23.777 1.029 [OK] 5787 204 B PHE CG 2 C3H0b 0.770 1.610 2.418 9.743 9.721 1.002 [OK] 5788 204 B PHE CD1 5 C3H1s 0.770 1.760 3.025 20.488 20.405 1.004 possible 5789 204 B PHE CD2 6 C3H1b 0.770 1.760 2.746 19.061 21.051 0.905 [OK] 5790 204 B PHE CE1 6 C3H1b 0.770 1.760 2.928 22.380 21.580 1.037 [OK] 5791 204 B PHE CE2 6 C3H1b 0.770 1.760 2.967 20.403 21.680 0.941 [OK] 5792 204 B PHE CZ 6 C3H1b 0.770 1.760 3.432 30.641 21.666 1.414 possible 5793 205 B SER N 12 N3H1s 0.700 1.640 2.949 15.901 14.103 1.127 [OK] 5794 205 B SER CA 3 C4H1s 0.770 1.880 2.903 13.094 13.476 0.972 [OK] 5795 205 B SER C 1 C3H0s 0.770 1.610 2.523 9.125 8.923 1.023 [OK] 5796 205 B SER O 16 O1H0u 0.660 1.420 2.619 16.000 16.179 0.989 [OK] 5797 205 B SER CB 8 C4H2s 0.770 1.880 3.620 28.290 23.884 1.184 possible 5798 205 B SER OG 17 O2H1u 0.660 1.460 3.451 25.568 18.732 1.365 possible 5799 206 B VAL N 12 N3H1s 0.700 1.640 2.653 13.816 13.676 1.010 [OK] 5800 206 B VAL CA 3 C4H1s 0.770 1.880 2.965 12.026 13.123 0.916 [OK] 5801 206 B VAL C 1 C3H0s 0.770 1.610 2.408 8.494 8.563 0.992 [OK] 5802 206 B VAL O 16 O1H0u 0.660 1.420 2.582 17.959 16.181 1.110 [OK] 5803 206 B VAL CB 4 C4H1b 0.770 1.880 3.158 15.508 14.598 1.062 possible 5804 206 B VAL CG1 10 C4H3u 0.770 1.880 2.997 30.302 36.584 0.828 [OK] 5805 206 B VAL CG2 10 C4H3u 0.770 1.880 3.146 36.540 36.332 1.006 possible 5806 207 B ASP N 12 N3H1s 0.700 1.640 2.762 13.444 13.895 0.968 [OK] 5807 207 B ASP CA 3 C4H1s 0.770 1.880 2.747 12.083 13.377 0.903 [OK] 5808 207 B ASP C 1 C3H0s 0.770 1.610 2.532 8.922 8.816 1.012 [OK] 5809 207 B ASP O 16 O1H0u 0.660 1.420 2.784 24.938 16.091 1.550 [OK] 5810 207 B ASP CB 8 C4H2s 0.770 1.880 3.010 25.174 23.481 1.072 possible 5811 207 B ASP CG 2 C3H0b 0.770 1.610 2.355 9.036 9.422 0.959 [OK] 5812 207 B ASP OD1 16 O1H0u 0.660 1.420 2.251 14.462 15.505 0.933 [OK] 5813 207 B ASP OD2 16 O1H0u 0.660 1.420 2.352 16.355 16.324 1.002 [OK] 5814 208 B GLN N 12 N3H1s 0.700 1.640 2.786 15.527 13.616 1.140 [OK] 5815 208 B GLN CA 3 C4H1s 0.770 1.880 2.998 13.995 13.334 1.050 [OK] 5816 208 B GLN C 1 C3H0s 0.770 1.610 2.317 8.092 8.787 0.921 [OK] 5817 208 B GLN O 16 O1H0u 0.660 1.420 2.410 15.221 15.993 0.952 [OK] 5818 208 B GLN CB 8 C4H2s 0.770 1.880 2.813 22.868 23.275 0.983 [OK] 5819 208 B GLN CG 8 C4H2s 0.770 1.880 2.967 23.782 23.465 1.014 [OK] 5820 208 B GLN CD 2 C3H0b 0.770 1.610 2.625 10.632 9.659 1.101 [OK] 5821 208 B GLN OE1 16 O1H0u 0.660 1.420 4.205 26.288 17.091 1.538 possible 5822 208 B GLN NE2 15 N3H2u 0.700 1.640 5.483 42.091 24.150 1.743 possible 5823 209 B GLU N 12 N3H1s 0.700 1.640 2.843 14.702 13.615 1.080 [OK] 5824 209 B GLU CA 3 C4H1s 0.770 1.880 2.359 11.499 13.399 0.858 [OK] 5825 209 B GLU C 1 C3H0s 0.770 1.610 2.407 8.530 8.675 0.983 [OK] 5826 209 B GLU O 16 O1H0u 0.660 1.420 3.263 21.703 16.023 1.354 possible 5827 209 B GLU CB 8 C4H2s 0.770 1.880 3.530 25.664 23.529 1.091 possible 5828 209 B GLU CG 8 C4H2s 0.770 1.880 2.950 22.604 23.513 0.961 [OK] 5829 209 B GLU CD 2 C3H0b 0.770 1.610 2.660 10.014 9.460 1.059 [OK] 5830 209 B GLU OE1 16 O1H0u 0.660 1.420 5.024 37.843 15.999 2.365 possible 5831 209 B GLU OE2 16 O1H0u 0.660 1.420 2.802 15.398 17.432 0.883 [OK] 5832 210 B GLY N 12 N3H1s 0.700 1.640 2.400 16.058 14.854 1.081 [OK] 5833 210 B GLY CA 8 C4H2s 0.770 1.880 2.752 21.567 23.688 0.910 [OK] 5834 210 B GLY C 2 C3H0b 0.770 1.610 2.464 9.870 9.840 1.003 [OK] 5835 210 B GLY O 16 O1H0u 0.660 1.420 2.380 17.043 16.391 1.040 [OK] 5836 211 B VAL N 12 N3H1s 0.700 1.640 2.507 13.039 13.676 0.953 [OK] 5837 211 B VAL CA 3 C4H1s 0.770 1.880 2.673 13.285 13.123 1.012 [OK] 5838 211 B VAL C 1 C3H0s 0.770 1.610 2.695 8.707 8.563 1.017 [OK] 5839 211 B VAL O 16 O1H0u 0.660 1.420 2.542 17.488 16.181 1.081 [OK] 5840 211 B VAL CB 4 C4H1b 0.770 1.880 2.859 14.418 14.598 0.988 [OK] 5841 211 B VAL CG1 10 C4H3u 0.770 1.880 3.542 41.734 36.584 1.141 possible 5842 211 B VAL CG2 10 C4H3u 0.770 1.880 3.709 38.612 36.332 1.063 possible 5843 212 B TYR N 12 N3H1s 0.700 1.640 2.710 13.666 13.691 0.998 [OK] 5844 212 B TYR CA 3 C4H1s 0.770 1.880 2.857 13.325 13.330 1.000 [OK] 5845 212 B TYR C 1 C3H0s 0.770 1.610 2.674 9.940 8.770 1.133 [OK] 5846 212 B TYR O 16 O1H0u 0.660 1.420 2.384 17.442 16.124 1.082 [OK] 5847 212 B TYR CB 8 C4H2s 0.770 1.880 2.748 24.588 23.678 1.038 [OK] 5848 212 B TYR CG 2 C3H0b 0.770 1.610 2.358 8.490 9.732 0.872 [OK] 5849 212 B TYR CD1 5 C3H1s 0.770 1.760 2.684 17.831 20.171 0.884 [OK] 5850 212 B TYR CD2 5 C3H1s 0.770 1.760 2.873 19.785 20.728 0.955 [OK] 5851 212 B TYR CE1 5 C3H1s 0.770 1.760 2.690 16.555 20.675 0.801 [OK] 5852 212 B TYR CE2 5 C3H1s 0.770 1.760 2.769 18.926 20.810 0.909 [OK] 5853 212 B TYR CZ 2 C3H0b 0.770 1.610 2.553 9.998 9.926 1.007 [OK] 5854 212 B TYR OH 17 O2H1u 0.660 1.460 2.658 20.924 19.173 1.091 [OK] 5855 213 B PHE N 12 N3H1s 0.700 1.640 2.563 13.970 13.691 1.020 [OK] 5856 213 B PHE CA 3 C4H1s 0.770 1.880 2.661 12.167 13.449 0.905 [OK] 5857 213 B PHE C 1 C3H0s 0.770 1.610 2.533 8.904 8.753 1.017 [OK] 5858 213 B PHE O 16 O1H0u 0.660 1.420 2.441 16.338 16.151 1.012 [OK] 5859 213 B PHE CB 8 C4H2s 0.770 1.880 3.036 23.561 23.777 0.991 possible 5860 213 B PHE CG 2 C3H0b 0.770 1.610 2.667 8.683 9.721 0.893 [OK] 5861 213 B PHE CD1 5 C3H1s 0.770 1.760 2.765 19.150 20.405 0.938 [OK] 5862 213 B PHE CD2 6 C3H1b 0.770 1.760 2.984 19.996 21.051 0.950 [OK] 5863 213 B PHE CE1 6 C3H1b 0.770 1.760 2.751 21.261 21.580 0.985 [OK] 5864 213 B PHE CE2 6 C3H1b 0.770 1.760 2.949 21.182 21.680 0.977 [OK] 5865 213 B PHE CZ 6 C3H1b 0.770 1.760 3.257 24.122 21.666 1.113 possible 5866 214 B GLY N 12 N3H1s 0.700 1.640 2.764 15.381 14.854 1.035 [OK] 5867 214 B GLY CA 8 C4H2s 0.770 1.880 2.965 23.110 23.688 0.976 [OK] 5868 214 B GLY C 2 C3H0b 0.770 1.610 2.813 10.189 9.840 1.035 [OK] 5869 214 B GLY O 16 O1H0u 0.660 1.420 2.540 15.868 16.391 0.968 [OK] 5870 215 B GLN N 12 N3H1s 0.700 1.640 2.596 14.407 13.616 1.058 [OK] 5871 215 B GLN CA 3 C4H1s 0.770 1.880 3.252 14.203 13.334 1.065 possible 5872 215 B GLN C 1 C3H0s 0.770 1.610 2.666 10.166 8.787 1.157 [OK] 5873 215 B GLN O 16 O1H0u 0.660 1.420 2.471 19.049 15.993 1.191 [OK] 5874 215 B GLN CB 8 C4H2s 0.770 1.880 3.591 22.815 23.275 0.980 possible 5875 215 B GLN CG 8 C4H2s 0.770 1.880 3.537 24.712 23.465 1.053 possible 5876 215 B GLN CD 2 C3H0b 0.770 1.610 2.343 8.756 9.659 0.906 [OK] 5877 215 B GLN OE1 16 O1H0u 0.660 1.420 2.774 20.029 17.091 1.172 [OK] 5878 215 B GLN NE2 15 N3H2u 0.700 1.640 3.173 25.454 24.150 1.054 possible 5879 216 B CYS N 12 N3H1s 0.700 1.640 3.285 19.748 13.981 1.412 possible 5880 216 B CYS CA 3 C4H1s 0.770 1.880 2.948 14.773 13.656 1.082 [OK] 5881 216 B CYS C 1 C3H0s 0.770 1.610 2.264 8.284 8.897 0.931 [OK] 5882 216 B CYS O 16 O1H0u 0.660 1.420 2.424 17.047 16.543 1.030 [OK] 5883 216 B CYS CB 9 C4H2b 0.770 1.880 2.926 22.405 23.536 0.952 [OK] 5884 216 B CYS SG 20 S2H1u 1.040 1.770 2.522 23.635 34.603 0.683 [OK] 5885 217 B SER N 12 N3H1s 0.700 1.640 2.463 13.619 14.103 0.966 [OK] 5886 217 B SER CA 3 C4H1s 0.770 1.880 2.941 13.507 13.476 1.002 [OK] 5887 217 B SER C 1 C3H0s 0.770 1.610 2.359 8.769 8.923 0.983 [OK] 5888 217 B SER O 16 O1H0u 0.660 1.420 2.782 16.346 16.179 1.010 [OK] 5889 217 B SER CB 8 C4H2s 0.770 1.880 3.030 25.508 23.884 1.068 possible 5890 217 B SER OG 17 O2H1u 0.660 1.460 2.652 26.087 18.732 1.393 [OK] 5891 218 B GLU N 12 N3H1s 0.700 1.640 2.393 14.634 13.615 1.075 [OK] 5892 218 B GLU CA 3 C4H1s 0.770 1.880 2.571 12.324 13.399 0.920 [OK] 5893 218 B GLU C 1 C3H0s 0.770 1.610 2.277 7.723 8.675 0.890 [OK] 5894 218 B GLU O 16 O1H0u 0.660 1.420 2.216 13.546 16.023 0.845 [OK] 5895 218 B GLU CB 8 C4H2s 0.770 1.880 2.859 21.637 23.529 0.920 [OK] 5896 218 B GLU CG 8 C4H2s 0.770 1.880 3.611 27.872 23.513 1.185 possible 5897 218 B GLU CD 2 C3H0b 0.770 1.610 2.947 10.116 9.460 1.069 [OK] 5898 218 B GLU OE1 16 O1H0u 0.660 1.420 2.835 17.754 15.999 1.110 [OK] 5899 218 B GLU OE2 16 O1H0u 0.660 1.420 3.697 28.398 17.432 1.629 possible 5900 219 B LEU N 12 N3H1s 0.700 1.640 2.921 15.320 13.655 1.122 [OK] 5901 219 B LEU CA 3 C4H1s 0.770 1.880 2.739 12.119 13.122 0.924 [OK] 5902 219 B LEU C 1 C3H0s 0.770 1.610 2.235 7.825 8.825 0.887 [OK] 5903 219 B LEU O 16 O1H0u 0.660 1.420 3.150 26.127 16.208 1.612 possible 5904 219 B LEU CB 8 C4H2s 0.770 1.880 3.554 27.025 22.951 1.178 possible 5905 219 B LEU CG 4 C4H1b 0.770 1.880 3.029 14.451 14.764 0.979 possible 5906 219 B LEU CD1 10 C4H3u 0.770 1.880 3.269 40.472 37.425 1.081 possible 5907 219 B LEU CD2 10 C4H3u 0.770 1.880 3.429 39.936 37.143 1.075 possible 5908 220 B CYS N 12 N3H1s 0.700 1.640 2.369 12.850 13.981 0.919 [OK] 5909 220 B CYS CA 3 C4H1s 0.770 1.880 2.693 12.890 13.656 0.944 [OK] 5910 220 B CYS C 1 C3H0s 0.770 1.610 2.424 9.438 8.897 1.061 [OK] 5911 220 B CYS O 16 O1H0u 0.660 1.420 2.528 18.197 16.543 1.100 [OK] 5912 220 B CYS CB 9 C4H2b 0.770 1.880 2.934 21.341 23.536 0.907 [OK] 5913 220 B CYS SG 20 S2H1u 1.040 1.770 2.845 21.276 34.603 0.615 [OK] 5914 221 B GLY N 12 N3H1s 0.700 1.640 2.859 16.727 14.854 1.126 [OK] 5915 221 B GLY CA 8 C4H2s 0.770 1.880 4.114 32.567 23.688 1.375 possible 5916 221 B GLY C 2 C3H0b 0.770 1.610 3.248 9.833 9.840 0.999 possible 5917 221 B GLY O 16 O1H0u 0.660 1.420 3.409 19.193 16.391 1.171 possible 5918 222 B ILE N 12 N3H1s 0.700 1.640 3.816 21.729 13.633 1.594 possible 5919 222 B ILE CA 3 C4H1s 0.770 1.880 3.283 15.719 13.007 1.208 possible 5920 222 B ILE C 1 C3H0s 0.770 1.610 2.516 8.699 8.470 1.027 [OK] 5921 222 B ILE O 16 O1H0u 0.660 1.420 3.541 24.394 16.144 1.511 possible 5922 222 B ILE CB 4 C4H1b 0.770 1.880 3.283 15.197 14.227 1.068 possible 5923 222 B ILE CG1 9 C4H2b 0.770 1.880 3.367 21.690 24.187 0.897 possible 5924 222 B ILE CG2 10 C4H3u 0.770 1.880 6.835 54.278 35.961 1.509 possible 5925 222 B ILE CD1 10 C4H3u 0.770 1.880 5.983 71.203 38.377 1.855 possible 5926 223 B ASN N 12 N3H1s 0.700 1.640 2.524 13.284 13.695 0.970 [OK] 5927 223 B ASN CA 3 C4H1s 0.770 1.880 3.151 13.560 13.167 1.030 possible 5928 223 B ASN C 1 C3H0s 0.770 1.610 2.523 8.923 8.928 0.999 [OK] 5929 223 B ASN O 16 O1H0u 0.660 1.420 2.599 16.694 16.199 1.031 [OK] 5930 223 B ASN CB 8 C4H2s 0.770 1.880 3.987 23.834 23.128 1.031 possible 5931 223 B ASN CG 2 C3H0b 0.770 1.610 3.972 11.683 9.599 1.217 possible 5932 223 B ASN OD1 16 O1H0u 0.660 1.420 4.990 39.244 16.664 2.355 possible 5933 223 B ASN ND2 15 N3H2u 0.700 1.640 34.678 -1.000 23.083 -1.000 bad 5934 224 B HIS N 12 N3H1s 0.700 1.640 3.872 17.437 13.715 1.271 possible 5935 224 B HIS CA 3 C4H1s 0.770 1.880 2.604 12.263 13.467 0.911 [OK] 5936 224 B HIS C 1 C3H0s 0.770 1.610 2.219 8.510 8.882 0.958 [OK] 5937 224 B HIS O 16 O1H0u 0.660 1.420 2.866 18.403 16.082 1.144 [OK] 5938 224 B HIS CB 8 C4H2s 0.770 1.880 3.971 23.359 23.653 0.988 possible 5939 224 B HIS CG 2 C3H0b 0.770 1.610 2.229 8.756 9.952 0.880 [OK] 5940 224 B HIS ND1 13 N3H1b 0.700 1.640 2.461 10.115 15.506 0.652 [OK] 5941 224 B HIS CD2 5 C3H1s 0.770 1.760 3.489 21.697 21.085 1.029 possible 5942 224 B HIS CE1 5 C3H1s 0.770 1.760 2.572 17.430 20.636 0.845 [OK] 5943 224 B HIS NE2 13 N3H1b 0.700 1.640 2.712 15.715 15.337 1.025 [OK] 5944 225 B ALA N 12 N3H1s 0.700 1.640 3.856 17.884 14.046 1.273 possible 5945 225 B ALA CA 4 C4H1b 0.770 1.880 2.650 12.799 14.063 0.910 [OK] 5946 225 B ALA C 1 C3H0s 0.770 1.610 3.045 9.897 8.900 1.112 possible 5947 225 B ALA O 16 O1H0u 0.660 1.420 2.969 25.535 16.188 1.577 [OK] 5948 225 B ALA CB 10 C4H3u 0.770 1.880 3.939 43.297 36.782 1.177 possible 5949 226 B TYR N 12 N3H1s 0.700 1.640 2.421 13.261 13.691 0.969 [OK] 5950 226 B TYR CA 3 C4H1s 0.770 1.880 2.897 13.060 13.330 0.980 [OK] 5951 226 B TYR C 1 C3H0s 0.770 1.610 2.518 9.816 8.770 1.119 [OK] 5952 226 B TYR O 16 O1H0u 0.660 1.420 5.362 30.248 16.124 1.876 possible 5953 226 B TYR CB 8 C4H2s 0.770 1.880 5.979 41.082 23.678 1.735 possible 5954 226 B TYR CG 2 C3H0b 0.770 1.610 5.259 14.284 9.732 1.468 possible 5955 226 B TYR CD1 5 C3H1s 0.770 1.760 5.148 25.736 20.171 1.276 possible 5956 226 B TYR CD2 5 C3H1s 0.770 1.760 4.012 24.521 20.728 1.183 possible 5957 226 B TYR CE1 5 C3H1s 0.770 1.760 4.235 33.078 20.675 1.600 possible 5958 226 B TYR CE2 5 C3H1s 0.770 1.760 3.340 28.136 20.810 1.352 possible 5959 226 B TYR CZ 2 C3H0b 0.770 1.610 3.207 11.818 9.926 1.191 possible 5960 226 B TYR OH 17 O2H1u 0.660 1.460 4.022 25.903 19.173 1.351 possible 5961 227 B MET N 12 N3H1s 0.700 1.640 3.219 17.112 13.564 1.262 possible 5962 227 B MET CA 3 C4H1s 0.770 1.880 3.372 13.664 13.231 1.033 possible 5963 227 B MET C 1 C3H0s 0.770 1.610 3.191 11.230 8.782 1.279 possible 5964 227 B MET O 16 O1H0u 0.660 1.420 2.659 16.839 16.277 1.034 [OK] 5965 227 B MET CB 8 C4H2s 0.770 1.880 3.089 22.075 23.645 0.934 possible 5966 227 B MET CG 9 C4H2b 0.770 1.880 3.073 22.434 24.009 0.934 possible 5967 227 B MET SD 19 S2H0u 1.040 1.770 2.734 22.943 30.093 0.762 [OK] 5968 227 B MET CE 10 C4H3u 0.770 1.880 2.779 32.554 37.161 0.876 [OK] 5969 228 B PRO N 11 N3H0u 0.700 1.640 3.245 10.781 8.823 1.222 possible 5970 228 B PRO CA 4 C4H1b 0.770 1.880 3.140 14.597 13.955 1.046 possible 5971 228 B PRO C 1 C3H0s 0.770 1.610 2.626 8.885 8.812 1.008 [OK] 5972 228 B PRO O 16 O1H0u 0.660 1.420 2.929 17.167 16.169 1.062 [OK] 5973 228 B PRO CB 9 C4H2b 0.770 1.880 3.350 21.833 25.563 0.854 possible 5974 228 B PRO CG 9 C4H2b 0.770 1.880 2.913 22.374 25.832 0.866 [OK] 5975 228 B PRO CD 8 C4H2s 0.770 1.880 3.330 23.914 23.836 1.003 possible 5976 229 B ILE N 12 N3H1s 0.700 1.640 2.522 12.249 13.633 0.898 [OK] 5977 229 B ILE CA 3 C4H1s 0.770 1.880 2.477 11.708 13.007 0.900 [OK] 5978 229 B ILE C 1 C3H0s 0.770 1.610 2.512 8.845 8.470 1.044 [OK] 5979 229 B ILE O 16 O1H0u 0.660 1.420 2.558 16.682 16.144 1.033 [OK] 5980 229 B ILE CB 4 C4H1b 0.770 1.880 2.615 13.090 14.227 0.920 [OK] 5981 229 B ILE CG1 9 C4H2b 0.770 1.880 3.009 23.344 24.187 0.965 possible 5982 229 B ILE CG2 10 C4H3u 0.770 1.880 3.042 33.934 35.961 0.944 possible 5983 229 B ILE CD1 10 C4H3u 0.770 1.880 2.998 35.877 38.377 0.935 [OK] 5984 230 B VAL N 12 N3H1s 0.700 1.640 3.048 17.337 13.676 1.268 possible 5985 230 B VAL CA 3 C4H1s 0.770 1.880 2.748 13.069 13.123 0.996 [OK] 5986 230 B VAL C 1 C3H0s 0.770 1.610 2.477 8.013 8.563 0.936 [OK] 5987 230 B VAL O 16 O1H0u 0.660 1.420 2.865 19.040 16.181 1.177 [OK] 5988 230 B VAL CB 4 C4H1b 0.770 1.880 3.079 15.466 14.598 1.059 possible 5989 230 B VAL CG1 10 C4H3u 0.770 1.880 2.896 34.916 36.584 0.954 [OK] 5990 230 B VAL CG2 10 C4H3u 0.770 1.880 2.939 30.523 36.332 0.840 [OK] 5991 231 B VAL N 12 N3H1s 0.700 1.640 2.545 12.713 13.676 0.930 [OK] 5992 231 B VAL CA 3 C4H1s 0.770 1.880 2.706 11.826 13.123 0.901 [OK] 5993 231 B VAL C 1 C3H0s 0.770 1.610 2.433 8.010 8.563 0.935 [OK] 5994 231 B VAL O 16 O1H0u 0.660 1.420 2.426 17.085 16.181 1.056 [OK] 5995 231 B VAL CB 4 C4H1b 0.770 1.880 3.614 17.710 14.598 1.213 possible 5996 231 B VAL CG1 10 C4H3u 0.770 1.880 3.362 38.619 36.584 1.056 possible 5997 231 B VAL CG2 10 C4H3u 0.770 1.880 3.552 42.549 36.332 1.171 possible 5998 232 B LYS N 12 N3H1s 0.700 1.640 2.508 13.501 13.675 0.987 [OK] 5999 232 B LYS CA 3 C4H1s 0.770 1.880 2.661 12.793 13.324 0.960 [OK] 6000 232 B LYS C 1 C3H0s 0.770 1.610 2.605 9.703 8.759 1.108 [OK] 6001 232 B LYS O 16 O1H0u 0.660 1.420 2.591 17.008 16.049 1.060 [OK] 6002 232 B LYS CB 8 C4H2s 0.770 1.880 3.071 26.658 22.904 1.164 possible 6003 232 B LYS CG 8 C4H2s 0.770 1.880 2.761 22.725 23.131 0.982 [OK] 6004 232 B LYS CD 8 C4H2s 0.770 1.880 2.722 24.288 23.837 1.019 [OK] 6005 232 B LYS CE 9 C4H2b 0.770 1.880 2.947 23.972 23.934 1.002 [OK] 6006 232 B LYS NZ 14 N4H3u 0.700 1.640 3.549 39.658 21.213 1.870 possible 6007 233 B ALA N 12 N3H1s 0.700 1.640 2.662 15.475 14.046 1.102 [OK] 6008 233 B ALA CA 4 C4H1b 0.770 1.880 2.516 11.575 14.063 0.823 [OK] 6009 233 B ALA C 1 C3H0s 0.770 1.610 2.537 8.458 8.900 0.950 [OK] 6010 233 B ALA O 16 O1H0u 0.660 1.420 2.305 15.149 16.188 0.936 [OK] 6011 233 B ALA CB 10 C4H3u 0.770 1.880 3.146 35.676 36.782 0.970 possible 6012 234 B VAL N 12 N3H1s 0.700 1.640 2.642 13.184 13.676 0.964 [OK] 6013 234 B VAL CA 3 C4H1s 0.770 1.880 2.659 12.116 13.123 0.923 [OK] 6014 234 B VAL C 1 C3H0s 0.770 1.610 2.190 8.268 8.563 0.966 [OK] 6015 234 B VAL O 16 O1H0u 0.660 1.420 2.542 14.378 16.181 0.889 [OK] 6016 234 B VAL CB 4 C4H1b 0.770 1.880 2.607 12.560 14.598 0.860 [OK] 6017 234 B VAL CG1 10 C4H3u 0.770 1.880 3.094 34.781 36.584 0.951 possible 6018 234 B VAL CG2 10 C4H3u 0.770 1.880 3.069 36.311 36.332 0.999 possible 6019 235 B SER N 12 N3H1s 0.700 1.640 2.476 12.369 14.103 0.877 [OK] 6020 235 B SER CA 3 C4H1s 0.770 1.880 2.805 14.445 13.476 1.072 [OK] 6021 235 B SER C 1 C3H0s 0.770 1.610 2.338 7.904 8.923 0.886 [OK] 6022 235 B SER O 16 O1H0u 0.660 1.420 2.190 12.668 16.179 0.783 [OK] 6023 235 B SER CB 8 C4H2s 0.770 1.880 3.467 31.765 23.884 1.330 possible 6024 235 B SER OG 17 O2H1u 0.660 1.460 3.110 17.332 18.732 0.925 possible 6025 236 B GLN N 12 N3H1s 0.700 1.640 2.997 16.775 13.616 1.232 [OK] 6026 236 B GLN CA 3 C4H1s 0.770 1.880 2.819 13.962 13.334 1.047 [OK] 6027 236 B GLN C 1 C3H0s 0.770 1.610 2.724 7.831 8.787 0.891 [OK] 6028 236 B GLN O 16 O1H0u 0.660 1.420 2.727 14.758 15.993 0.923 [OK] 6029 236 B GLN CB 8 C4H2s 0.770 1.880 2.977 22.019 23.275 0.946 [OK] 6030 236 B GLN CG 8 C4H2s 0.770 1.880 3.229 26.039 23.465 1.110 possible 6031 236 B GLN CD 2 C3H0b 0.770 1.610 2.925 10.613 9.659 1.099 [OK] 6032 236 B GLN OE1 16 O1H0u 0.660 1.420 4.177 30.100 17.091 1.761 possible 6033 236 B GLN NE2 15 N3H2u 0.700 1.640 5.430 47.704 24.150 1.975 possible 6034 237 B GLU N 12 N3H1s 0.700 1.640 3.036 14.946 13.615 1.098 possible 6035 237 B GLU CA 3 C4H1s 0.770 1.880 3.703 18.676 13.399 1.394 possible 6036 237 B GLU C 1 C3H0s 0.770 1.610 2.839 7.767 8.675 0.895 [OK] 6037 237 B GLU O 16 O1H0u 0.660 1.420 4.571 24.932 16.023 1.556 possible 6038 237 B GLU CB 8 C4H2s 0.770 1.880 3.618 27.543 23.529 1.171 possible 6039 237 B GLU CG 8 C4H2s 0.770 1.880 7.398 67.993 23.513 2.892 possible 6040 237 B GLU CD 2 C3H0b 0.770 1.610 6.763 18.603 9.460 1.966 possible 6041 237 B GLU OE1 16 O1H0u 0.660 1.420 4.473 49.383 15.999 3.087 possible 6042 237 B GLU OE2 16 O1H0u 0.660 1.420 37.095 -1.000 17.432 -1.000 bad 6043 238 B LYS N 12 N3H1s 0.700 1.640 3.097 14.129 13.675 1.033 possible 6044 238 B LYS CA 3 C4H1s 0.770 1.880 4.471 17.636 13.324 1.324 possible 6045 238 B LYS C 1 C3H0s 0.770 1.610 2.474 8.459 8.759 0.966 [OK] 6046 238 B LYS O 16 O1H0u 0.660 1.420 2.504 15.462 16.049 0.963 [OK] 6047 238 B LYS CB 8 C4H2s 0.770 1.880 2.970 20.846 22.904 0.910 [OK] 6048 238 B LYS CG 8 C4H2s 0.770 1.880 5.988 44.039 23.131 1.904 possible 6049 238 B LYS CD 8 C4H2s 0.770 1.880 3.071 24.641 23.837 1.034 possible 6050 238 B LYS CE 9 C4H2b 0.770 1.880 6.892 63.175 23.934 2.640 possible 6051 238 B LYS NZ 14 N4H3u 0.700 1.640 5.497 64.369 21.213 3.034 possible 6052 239 B TYR N 12 N3H1s 0.700 1.640 2.224 11.745 13.691 0.858 [OK] 6053 239 B TYR CA 3 C4H1s 0.770 1.880 2.966 14.352 13.330 1.077 [OK] 6054 239 B TYR C 1 C3H0s 0.770 1.610 2.201 7.998 8.770 0.912 [OK] 6055 239 B TYR O 16 O1H0u 0.660 1.420 2.431 14.737 16.124 0.914 [OK] 6056 239 B TYR CB 8 C4H2s 0.770 1.880 2.752 22.516 23.678 0.951 [OK] 6057 239 B TYR CG 2 C3H0b 0.770 1.610 2.241 8.639 9.732 0.888 [OK] 6058 239 B TYR CD1 5 C3H1s 0.770 1.760 2.731 19.399 20.171 0.962 [OK] 6059 239 B TYR CD2 5 C3H1s 0.770 1.760 3.170 24.037 20.728 1.160 possible 6060 239 B TYR CE1 5 C3H1s 0.770 1.760 2.552 20.468 20.675 0.990 [OK] 6061 239 B TYR CE2 5 C3H1s 0.770 1.760 5.435 45.261 20.810 2.175 possible 6062 239 B TYR CZ 2 C3H0b 0.770 1.610 2.813 10.504 9.926 1.058 [OK] 6063 239 B TYR OH 17 O2H1u 0.660 1.460 4.025 27.441 19.173 1.431 possible 6064 240 B GLU N 12 N3H1s 0.700 1.640 2.540 12.813 13.615 0.941 [OK] 6065 240 B GLU CA 3 C4H1s 0.770 1.880 3.662 16.499 13.399 1.231 possible 6066 240 B GLU C 1 C3H0s 0.770 1.610 4.007 8.942 8.675 1.031 possible 6067 240 B GLU O 16 O1H0u 0.660 1.420 5.715 34.561 16.023 2.157 possible 6068 240 B GLU CB 8 C4H2s 0.770 1.880 5.483 41.489 23.529 1.763 possible 6069 240 B GLU CG 8 C4H2s 0.770 1.880 5.031 31.670 23.513 1.347 possible 6070 240 B GLU CD 2 C3H0b 0.770 1.610 5.380 14.780 9.460 1.562 possible 6071 240 B GLU OE1 16 O1H0u 0.660 1.420 6.218 53.446 15.999 3.341 possible 6072 240 B GLU OE2 16 O1H0u 0.660 1.420 6.552 50.166 17.432 2.878 possible 6073 241 B ALA N 12 N3H1s 0.700 1.640 4.787 17.597 14.046 1.253 possible 6074 241 B ALA CA 4 C4H1b 0.770 1.880 9.601 -1.000 14.063 -1.000 bad 6075 241 B ALA C 1 C3H0s 0.770 1.610 3.353 9.275 8.900 1.042 possible 6076 241 B ALA O 16 O1H0u 0.660 1.420 7.744 39.649 16.188 2.449 possible 6077 241 B ALA CB 10 C4H3u 0.770 1.880 37.307 -1.000 36.782 -1.000 bad 6078 242 B TRP N 12 N3H1s 0.700 1.640 2.752 13.590 13.791 0.985 [OK] 6079 242 B TRP CA 3 C4H1s 0.770 1.880 4.168 18.261 13.377 1.365 possible 6080 242 B TRP C 1 C3H0s 0.770 1.610 2.004 7.342 8.724 0.842 [OK] 6081 242 B TRP O 16 O1H0u 0.660 1.420 3.970 21.231 15.951 1.331 possible 6082 242 B TRP CB 8 C4H2s 0.770 1.880 2.966 23.404 24.004 0.975 [OK] 6083 242 B TRP CG 2 C3H0b 0.770 1.610 2.337 9.521 9.965 0.955 [OK] 6084 242 B TRP CD1 5 C3H1s 0.770 1.760 4.539 34.921 20.874 1.673 possible 6085 242 B TRP CD2 2 C3H0b 0.770 1.610 2.271 9.004 10.097 0.892 [OK] 6086 242 B TRP NE1 13 N3H1b 0.700 1.640 3.845 33.438 16.969 1.971 possible 6087 242 B TRP CE2 2 C3H0b 0.770 1.610 2.673 9.456 9.889 0.956 [OK] 6088 242 B TRP CE3 6 C3H1b 0.770 1.760 2.718 17.025 20.448 0.833 [OK] 6089 242 B TRP CZ2 6 C3H1b 0.770 1.760 3.527 28.324 21.012 1.348 possible 6090 242 B TRP CZ3 6 C3H1b 0.770 1.760 2.977 21.939 21.516 1.020 [OK] 6091 242 B TRP CH2 6 C3H1b 0.770 1.760 3.067 24.044 21.339 1.127 possible 6092 243 B LEU N 12 N3H1s 0.700 1.640 2.191 11.672 13.655 0.855 [OK] 6093 243 B LEU CA 3 C4H1s 0.770 1.880 2.653 12.195 13.122 0.929 [OK] 6094 243 B LEU C 1 C3H0s 0.770 1.610 2.692 8.036 8.825 0.911 [OK] 6095 243 B LEU O 16 O1H0u 0.660 1.420 2.521 14.043 16.208 0.866 [OK] 6096 243 B LEU CB 8 C4H2s 0.770 1.880 2.965 21.666 22.951 0.944 [OK] 6097 243 B LEU CG 4 C4H1b 0.770 1.880 3.710 15.465 14.764 1.048 possible 6098 243 B LEU CD1 10 C4H3u 0.770 1.880 3.210 40.172 37.425 1.073 possible 6099 243 B LEU CD2 10 C4H3u 0.770 1.880 7.055 110.280 37.143 2.969 possible 6100 244 B ALA N 12 N3H1s 0.700 1.640 3.648 13.855 14.046 0.986 possible 6101 244 B ALA CA 4 C4H1b 0.770 1.880 4.410 20.914 14.063 1.487 possible 6102 244 B ALA C 1 C3H0s 0.770 1.610 4.435 9.473 8.900 1.064 possible 6103 244 B ALA O 16 O1H0u 0.660 1.420 5.233 36.496 16.188 2.254 possible 6104 244 B ALA CB 10 C4H3u 0.770 1.880 49.871 -1.000 36.782 -1.000 bad 6105 245 B GLY N 12 N3H1s 0.700 1.640 6.315 22.970 14.854 1.546 possible 6106 245 B GLY CA 8 C4H2s 0.770 1.880 36.337 -1.000 23.688 -1.000 bad 6107 245 B GLY C 2 C3H0b 0.770 1.610 3.442 11.126 9.840 1.131 possible 6108 245 B GLY O 16 O1H0u 0.660 1.420 5.863 22.545 16.391 1.375 possible 6109 246 B ALA N 12 N3H1s 0.700 1.640 3.541 16.368 14.046 1.165 possible 6110 246 B ALA CA 4 C4H1b 0.770 1.880 3.424 14.969 14.063 1.064 possible 6111 246 B ALA C 1 C3H0s 0.770 1.610 2.213 8.131 8.900 0.914 [OK] 6112 246 B ALA O 16 O1H0u 0.660 1.420 2.507 15.569 16.188 0.962 [OK] 6113 246 B ALA CB 10 C4H3u 0.770 1.880 3.625 39.755 36.782 1.081 possible 6114 247 B LYS N 12 N3H1s 0.700 1.640 2.431 12.798 13.675 0.936 [OK] 6115 247 B LYS CA 3 C4H1s 0.770 1.880 2.871 14.414 13.324 1.082 [OK] 6116 247 B LYS C 1 C3H0s 0.770 1.610 2.781 9.879 8.759 1.128 [OK] 6117 247 B LYS O 16 O1H0u 0.660 1.420 7.576 52.405 16.049 3.265 possible 6118 247 B LYS CB 8 C4H2s 0.770 1.880 4.886 39.748 22.904 1.735 possible 6119 247 B LYS CG 8 C4H2s 0.770 1.880 2.857 21.137 23.131 0.914 [OK] 6120 247 B LYS CD 8 C4H2s 0.770 1.880 7.161 68.468 23.837 2.872 possible 6121 247 B LYS CE 9 C4H2b 0.770 1.880 7.350 51.713 23.934 2.161 possible 6122 247 B LYS NZ 14 N4H3u 0.700 1.640 50.045 -1.000 21.213 -1.000 bad 6123 248 B GLU N 12 N3H1s 0.700 1.640 2.624 13.378 13.615 0.983 [OK] 6124 248 B GLU CA 3 C4H1s 0.770 1.880 3.175 14.629 13.399 1.092 possible 6125 248 B GLU C 1 C3H0s 0.770 1.610 4.502 10.306 8.675 1.188 possible 6126 248 B GLU O 16 O1H0u 0.660 1.420 19.990 -1.000 16.023 -1.000 bad 6127 248 B GLU CB 8 C4H2s 0.770 1.880 17.908 -1.000 23.529 -1.000 bad 6128 248 B GLU CG 8 C4H2s 0.770 1.880 27.934 -1.000 23.513 -1.000 bad 6129 248 B GLU CD 2 C3H0b 0.770 1.610 3.698 -1.000 9.460 -1.000 bad 6130 248 B GLU OE1 16 O1H0u 0.660 1.420 40.033 -1.000 15.999 -1.000 bad 6131 248 B GLU OE2 16 O1H0u 0.660 1.420 39.994 -1.000 17.432 -1.000 bad 6132 249 B GLU N 12 N3H1s 0.700 1.640 4.689 17.100 13.615 1.256 possible 6133 249 B GLU CA 3 C4H1s 0.770 1.880 11.310 -1.000 13.399 -1.000 bad 6134 249 B GLU C 1 C3H0s 0.770 1.610 2.366 8.626 8.675 0.994 [OK] 6135 249 B GLU O 16 O1H0u 0.660 1.420 26.455 -1.000 16.023 -1.000 bad 6136 249 B GLU CB 8 C4H2s 0.770 1.880 7.662 37.323 23.529 1.586 possible 6137 249 B GLU CG 8 C4H2s 0.770 1.880 23.810 -1.000 23.513 -1.000 bad 6138 249 B GLU CD 2 C3H0b 0.770 1.610 3.481 -1.000 9.460 -1.000 bad 6139 249 B GLU OE1 16 O1H0u 0.660 1.420 26.369 -1.000 15.999 -1.000 bad 6140 249 B GLU OE2 16 O1H0u 0.660 1.420 41.081 -1.000 17.432 -1.000 bad 6141 250 B PHE N 12 N3H1s 0.700 1.640 2.334 12.382 13.691 0.904 [OK] 6142 250 B PHE CA 3 C4H1s 0.770 1.880 4.932 19.976 13.449 1.485 possible 6143 250 B PHE C 1 C3H0s 0.770 1.610 3.257 10.321 8.753 1.179 possible 6144 250 B PHE O 16 O1H0u 0.660 1.420 2.495 16.079 16.151 0.996 [OK] 6145 250 B PHE CB 8 C4H2s 0.770 1.880 2.703 20.383 23.777 0.857 [OK] 6146 250 B PHE CG 2 C3H0b 0.770 1.610 2.491 9.702 9.721 0.998 [OK] 6147 250 B PHE CD1 5 C3H1s 0.770 1.760 7.060 42.053 20.405 2.061 possible 6148 250 B PHE CD2 6 C3H1b 0.770 1.760 3.083 22.423 21.051 1.065 possible 6149 250 B PHE CE1 6 C3H1b 0.770 1.760 13.060 -1.000 21.580 -1.000 bad 6150 250 B PHE CE2 6 C3H1b 0.770 1.760 3.802 38.716 21.680 1.786 possible 6151 250 B PHE CZ 6 C3H1b 0.770 1.760 3.961 33.097 21.666 1.528 possible 6152 251 B ALA N 12 N3H1s 0.700 1.640 4.720 21.421 14.046 1.525 possible 6153 251 B ALA CA 4 C4H1b 0.770 1.880 3.223 15.023 14.063 1.068 possible 6154 251 B ALA C 1 C3H0s 0.770 1.610 2.940 8.797 8.900 0.988 [OK] 6155 251 B ALA O 16 O1H0u 0.660 1.420 22.451 -1.000 16.188 -1.000 bad 6156 251 B ALA CB 10 C4H3u 0.770 1.880 44.980 -1.000 36.782 -1.000 bad 6157 252 B ALA N 12 N3H1s 0.700 1.640 3.940 18.030 14.046 1.284 possible 6158 252 B ALA CA 4 C4H1b 0.770 1.880 3.445 16.107 14.063 1.145 possible 6159 252 B ALA C 1 C3H0s 0.770 1.610 5.029 10.753 8.900 1.208 possible 6160 252 B ALA O 16 O1H0u 0.660 1.420 37.430 -1.000 16.188 -1.000 bad 6161 252 B ALA CB 10 C4H3u 0.770 1.880 25.920 -1.000 36.782 -1.000 bad 6162 252 B ALA OXT 16 O1H0u 0.660 1.420 42.724 -1.000 1.420 -1.000 bad 6164 1 C GLU N 12 N3H1s 0.700 1.640 46.142 -1.000 13.615 -1.000 bad 6165 1 C GLU CA 3 C4H1s 0.770 1.880 6.068 25.865 13.399 1.930 possible 6166 1 C GLU C 1 C3H0s 0.770 1.610 3.307 10.633 8.675 1.226 possible 6167 1 C GLU O 16 O1H0u 0.660 1.420 3.643 20.151 16.023 1.258 possible 6168 1 C GLU CB 8 C4H2s 0.770 1.880 16.192 -1.000 23.529 -1.000 bad 6169 1 C GLU CG 8 C4H2s 0.770 1.880 37.607 -1.000 23.513 -1.000 bad 6170 1 C GLU CD 2 C3H0b 0.770 1.610 4.082 -1.000 9.460 -1.000 bad 6171 1 C GLU OE1 16 O1H0u 0.660 1.420 25.672 -1.000 15.999 -1.000 bad 6172 1 C GLU OE2 16 O1H0u 0.660 1.420 45.852 -1.000 17.432 -1.000 bad 6173 2 C VAL N 12 N3H1s 0.700 1.640 4.032 20.772 13.676 1.519 possible 6174 2 C VAL CA 3 C4H1s 0.770 1.880 2.672 11.976 13.123 0.913 [OK] 6175 2 C VAL C 1 C3H0s 0.770 1.610 2.804 8.788 8.563 1.026 [OK] 6176 2 C VAL O 16 O1H0u 0.660 1.420 16.465 -1.000 16.181 -1.000 bad 6177 2 C VAL CB 4 C4H1b 0.770 1.880 3.540 17.050 14.598 1.168 possible 6178 2 C VAL CG1 10 C4H3u 0.770 1.880 3.140 36.551 36.584 0.999 possible 6179 2 C VAL CG2 10 C4H3u 0.770 1.880 4.745 52.519 36.332 1.446 possible 6180 3 C LYS N 12 N3H1s 0.700 1.640 2.764 15.371 13.675 1.124 [OK] 6181 3 C LYS CA 3 C4H1s 0.770 1.880 4.167 17.676 13.324 1.327 possible 6182 3 C LYS C 1 C3H0s 0.770 1.610 2.726 9.545 8.759 1.090 [OK] 6183 3 C LYS O 16 O1H0u 0.660 1.420 2.528 18.532 16.049 1.155 [OK] 6184 3 C LYS CB 8 C4H2s 0.770 1.880 6.955 52.704 22.904 2.301 possible 6185 3 C LYS CG 8 C4H2s 0.770 1.880 3.562 20.974 23.131 0.907 possible 6186 3 C LYS CD 8 C4H2s 0.770 1.880 24.436 -1.000 23.837 -1.000 bad 6187 3 C LYS CE 9 C4H2b 0.770 1.880 33.298 -1.000 23.934 -1.000 bad 6188 3 C LYS NZ 14 N4H3u 0.700 1.640 15.353 -1.000 21.213 -1.000 bad 6189 4 C LEU N 12 N3H1s 0.700 1.640 3.597 19.234 13.655 1.409 possible 6190 4 C LEU CA 3 C4H1s 0.770 1.880 2.937 14.041 13.122 1.070 [OK] 6191 4 C LEU C 1 C3H0s 0.770 1.610 2.646 9.821 8.825 1.113 [OK] 6192 4 C LEU O 16 O1H0u 0.660 1.420 2.974 19.844 16.208 1.224 [OK] 6193 4 C LEU CB 8 C4H2s 0.770 1.880 2.923 21.305 22.951 0.928 [OK] 6194 4 C LEU CG 4 C4H1b 0.770 1.880 3.022 18.490 14.764 1.252 possible 6195 4 C LEU CD1 10 C4H3u 0.770 1.880 3.833 43.991 37.425 1.175 possible 6196 4 C LEU CD2 10 C4H3u 0.770 1.880 3.023 32.598 37.143 0.878 possible 6197 5 C GLN N 12 N3H1s 0.700 1.640 2.652 15.146 13.616 1.112 [OK] 6198 5 C GLN CA 3 C4H1s 0.770 1.880 3.097 14.019 13.334 1.051 possible 6199 5 C GLN C 1 C3H0s 0.770 1.610 2.843 9.763 8.787 1.111 [OK] 6200 5 C GLN O 16 O1H0u 0.660 1.420 3.842 22.226 15.993 1.390 possible 6201 5 C GLN CB 8 C4H2s 0.770 1.880 12.975 -1.000 23.275 -1.000 bad 6202 5 C GLN CG 8 C4H2s 0.770 1.880 7.277 -1.000 23.465 -1.000 bad 6203 5 C GLN CD 2 C3H0b 0.770 1.610 7.904 21.426 9.659 2.218 possible 6204 5 C GLN OE1 16 O1H0u 0.660 1.420 19.928 -1.000 17.091 -1.000 bad 6205 5 C GLN NE2 15 N3H2u 0.700 1.640 33.934 -1.000 24.150 -1.000 bad 6206 6 C GLU N 12 N3H1s 0.700 1.640 3.160 16.170 13.615 1.188 possible 6207 6 C GLU CA 3 C4H1s 0.770 1.880 2.572 10.680 13.399 0.797 [OK] 6208 6 C GLU C 1 C3H0s 0.770 1.610 2.650 9.317 8.675 1.074 [OK] 6209 6 C GLU O 16 O1H0u 0.660 1.420 16.698 -1.000 16.023 -1.000 bad 6210 6 C GLU CB 8 C4H2s 0.770 1.880 3.024 22.899 23.529 0.973 possible 6211 6 C GLU CG 8 C4H2s 0.770 1.880 3.016 22.328 23.513 0.950 possible 6212 6 C GLU CD 2 C3H0b 0.770 1.610 2.484 8.197 9.460 0.867 [OK] 6213 6 C GLU OE1 16 O1H0u 0.660 1.420 2.382 16.455 15.999 1.028 [OK] 6214 6 C GLU OE2 16 O1H0u 0.660 1.420 2.970 17.701 17.432 1.015 [OK] 6215 7 C SER N 12 N3H1s 0.700 1.640 2.695 13.901 14.103 0.986 [OK] 6216 7 C SER CA 3 C4H1s 0.770 1.880 5.744 20.616 13.476 1.530 possible 6217 7 C SER C 1 C3H0s 0.770 1.610 3.021 9.622 8.923 1.078 possible 6218 7 C SER O 16 O1H0u 0.660 1.420 3.151 17.431 16.179 1.077 possible 6219 7 C SER CB 8 C4H2s 0.770 1.880 37.572 -1.000 23.884 -1.000 bad 6220 7 C SER OG 17 O2H1u 0.660 1.460 21.027 -1.000 18.732 -1.000 bad 6221 8 C GLY N 12 N3H1s 0.700 1.640 8.446 -1.000 14.854 -1.000 bad 6222 8 C GLY CA 8 C4H2s 0.770 1.880 25.520 -1.000 23.688 -1.000 bad 6223 8 C GLY C 2 C3H0b 0.770 1.610 4.296 11.583 9.840 1.177 possible 6224 8 C GLY O 16 O1H0u 0.660 1.420 6.906 39.658 16.391 2.420 possible 6225 9 C GLY N 12 N3H1s 0.700 1.640 3.796 16.693 14.854 1.124 possible 6226 9 C GLY CA 8 C4H2s 0.770 1.880 3.118 21.822 23.688 0.921 possible 6227 9 C GLY C 2 C3H0b 0.770 1.610 2.732 9.101 9.840 0.925 [OK] 6228 9 C GLY O 16 O1H0u 0.660 1.420 28.668 -1.000 16.391 -1.000 bad 6229 10 C ASP N 12 N3H1s 0.700 1.640 2.862 15.315 13.895 1.102 [OK] 6230 10 C ASP CA 3 C4H1s 0.770 1.880 5.873 19.943 13.377 1.491 possible 6231 10 C ASP C 1 C3H0s 0.770 1.610 4.761 13.102 8.816 1.486 possible 6232 10 C ASP O 16 O1H0u 0.660 1.420 3.365 19.471 16.091 1.210 possible 6233 10 C ASP CB 8 C4H2s 0.770 1.880 4.282 31.358 23.481 1.335 possible 6234 10 C ASP CG 2 C3H0b 0.770 1.610 5.903 15.255 9.422 1.619 possible 6235 10 C ASP OD1 16 O1H0u 0.660 1.420 33.736 -1.000 15.505 -1.000 bad 6236 10 C ASP OD2 16 O1H0u 0.660 1.420 37.778 -1.000 16.324 -1.000 bad 6237 11 C LEU N 12 N3H1s 0.700 1.640 5.766 22.269 13.655 1.631 possible 6238 11 C LEU CA 3 C4H1s 0.770 1.880 2.982 12.474 13.122 0.951 [OK] 6239 11 C LEU C 1 C3H0s 0.770 1.610 2.790 8.306 8.825 0.941 [OK] 6240 11 C LEU O 16 O1H0u 0.660 1.420 18.056 -1.000 16.208 -1.000 bad 6241 11 C LEU CB 8 C4H2s 0.770 1.880 18.517 -1.000 22.951 -1.000 bad 6242 11 C LEU CG 4 C4H1b 0.770 1.880 4.645 23.266 14.764 1.576 possible 6243 11 C LEU CD1 10 C4H3u 0.770 1.880 3.810 36.056 37.425 0.963 possible 6244 11 C LEU CD2 10 C4H3u 0.770 1.880 65.305 -1.000 37.143 -1.000 bad 6245 12 C VAL N 12 N3H1s 0.700 1.640 2.620 12.757 13.676 0.933 [OK] 6246 12 C VAL CA 3 C4H1s 0.770 1.880 4.718 17.825 13.123 1.358 possible 6247 12 C VAL C 1 C3H0s 0.770 1.610 3.198 10.840 8.563 1.266 possible 6248 12 C VAL O 16 O1H0u 0.660 1.420 3.027 17.324 16.181 1.071 possible 6249 12 C VAL CB 4 C4H1b 0.770 1.880 2.999 16.965 14.598 1.162 [OK] 6250 12 C VAL CG1 10 C4H3u 0.770 1.880 7.193 67.203 36.584 1.837 possible 6251 12 C VAL CG2 10 C4H3u 0.770 1.880 5.341 41.281 36.332 1.136 possible 6252 13 C GLN N 12 N3H1s 0.700 1.640 4.014 17.637 13.616 1.295 possible 6253 13 C GLN CA 3 C4H1s 0.770 1.880 2.575 11.473 13.334 0.860 [OK] 6254 13 C GLN C 1 C3H0s 0.770 1.610 2.507 8.906 8.787 1.014 [OK] 6255 13 C GLN O 16 O1H0u 0.660 1.420 3.185 18.585 15.993 1.162 possible 6256 13 C GLN CB 8 C4H2s 0.770 1.880 4.891 44.941 23.275 1.931 possible 6257 13 C GLN CG 8 C4H2s 0.770 1.880 4.957 43.885 23.465 1.870 possible 6258 13 C GLN CD 2 C3H0b 0.770 1.610 6.441 17.683 9.659 1.831 possible 6259 13 C GLN OE1 16 O1H0u 0.660 1.420 41.755 -1.000 17.091 -1.000 bad 6260 13 C GLN NE2 15 N3H2u 0.700 1.640 47.333 -1.000 24.150 -1.000 bad 6261 14 C PRO N 11 N3H0u 0.700 1.640 2.971 8.720 8.823 0.988 [OK] 6262 14 C PRO CA 4 C4H1b 0.770 1.880 2.752 14.722 13.955 1.055 [OK] 6263 14 C PRO C 1 C3H0s 0.770 1.610 4.749 9.873 8.812 1.120 possible 6264 14 C PRO O 16 O1H0u 0.660 1.420 22.960 -1.000 16.169 -1.000 bad 6265 14 C PRO CB 9 C4H2b 0.770 1.880 32.128 -1.000 25.563 -1.000 bad 6266 14 C PRO CG 9 C4H2b 0.770 1.880 17.190 -1.000 25.832 -1.000 bad 6267 14 C PRO CD 8 C4H2s 0.770 1.880 5.187 31.465 23.836 1.320 possible 6268 15 C GLY N 12 N3H1s 0.700 1.640 6.013 21.493 14.854 1.447 possible 6269 15 C GLY CA 8 C4H2s 0.770 1.880 26.748 -1.000 23.688 -1.000 bad 6270 15 C GLY C 2 C3H0b 0.770 1.610 4.633 12.699 9.840 1.291 possible 6271 15 C GLY O 16 O1H0u 0.660 1.420 23.032 -1.000 16.391 -1.000 bad 6272 16 C GLY N 12 N3H1s 0.700 1.640 4.393 16.805 14.854 1.131 possible 6273 16 C GLY CA 8 C4H2s 0.770 1.880 21.852 -1.000 23.688 -1.000 bad 6274 16 C GLY C 2 C3H0b 0.770 1.610 2.778 10.418 9.840 1.059 [OK] 6275 16 C GLY O 16 O1H0u 0.660 1.420 2.447 15.566 16.391 0.950 [OK] 6276 17 C SER N 12 N3H1s 0.700 1.640 6.229 -1.000 14.103 -1.000 bad 6277 17 C SER CA 3 C4H1s 0.770 1.880 2.720 12.802 13.476 0.950 [OK] 6278 17 C SER C 1 C3H0s 0.770 1.610 4.128 9.842 8.923 1.103 possible 6279 17 C SER O 16 O1H0u 0.660 1.420 8.926 -1.000 16.179 -1.000 bad 6280 17 C SER CB 8 C4H2s 0.770 1.880 26.252 -1.000 23.884 -1.000 bad 6281 17 C SER OG 17 O2H1u 0.660 1.460 25.970 -1.000 18.732 -1.000 bad 6282 18 C LEU N 12 N3H1s 0.700 1.640 4.570 17.130 13.655 1.254 possible 6283 18 C LEU CA 3 C4H1s 0.770 1.880 7.145 -1.000 13.122 -1.000 bad 6284 18 C LEU C 1 C3H0s 0.770 1.610 3.586 10.299 8.825 1.167 possible 6285 18 C LEU O 16 O1H0u 0.660 1.420 2.524 15.065 16.208 0.929 [OK] 6286 18 C LEU CB 8 C4H2s 0.770 1.880 2.992 21.209 22.951 0.924 [OK] 6287 18 C LEU CG 4 C4H1b 0.770 1.880 3.302 16.851 14.764 1.141 possible 6288 18 C LEU CD1 10 C4H3u 0.770 1.880 24.099 -1.000 37.425 -1.000 bad 6289 18 C LEU CD2 10 C4H3u 0.770 1.880 2.919 37.449 37.143 1.008 [OK] 6290 19 C LYS N 12 N3H1s 0.700 1.640 5.478 -1.000 13.675 -1.000 bad 6291 19 C LYS CA 3 C4H1s 0.770 1.880 2.635 12.096 13.324 0.908 [OK] 6292 19 C LYS C 1 C3H0s 0.770 1.610 2.619 9.026 8.759 1.030 [OK] 6293 19 C LYS O 16 O1H0u 0.660 1.420 9.820 -1.000 16.049 -1.000 bad 6294 19 C LYS CB 8 C4H2s 0.770 1.880 13.485 -1.000 22.904 -1.000 bad 6295 19 C LYS CG 8 C4H2s 0.770 1.880 3.027 26.165 23.131 1.131 possible 6296 19 C LYS CD 8 C4H2s 0.770 1.880 6.445 55.616 23.837 2.333 possible 6297 19 C LYS CE 9 C4H2b 0.770 1.880 15.465 -1.000 23.934 -1.000 bad 6298 19 C LYS NZ 14 N4H3u 0.700 1.640 45.775 -1.000 21.213 -1.000 bad 6299 20 C LEU N 12 N3H1s 0.700 1.640 2.836 14.520 13.655 1.063 [OK] 6300 20 C LEU CA 3 C4H1s 0.770 1.880 2.544 12.234 13.122 0.932 [OK] 6301 20 C LEU C 1 C3H0s 0.770 1.610 2.517 9.342 8.825 1.059 [OK] 6302 20 C LEU O 16 O1H0u 0.660 1.420 2.422 16.821 16.208 1.038 [OK] 6303 20 C LEU CB 8 C4H2s 0.770 1.880 3.040 23.191 22.951 1.010 possible 6304 20 C LEU CG 4 C4H1b 0.770 1.880 3.070 16.139 14.764 1.093 possible 6305 20 C LEU CD1 10 C4H3u 0.770 1.880 2.853 34.723 37.425 0.928 [OK] 6306 20 C LEU CD2 10 C4H3u 0.770 1.880 2.986 32.612 37.143 0.878 [OK] 6307 21 C SER N 12 N3H1s 0.700 1.640 2.787 13.497 14.103 0.957 [OK] 6308 21 C SER CA 3 C4H1s 0.770 1.880 2.660 12.829 13.476 0.952 [OK] 6309 21 C SER C 1 C3H0s 0.770 1.610 3.129 9.271 8.923 1.039 possible 6310 21 C SER O 16 O1H0u 0.660 1.420 2.759 14.384 16.179 0.889 [OK] 6311 21 C SER CB 8 C4H2s 0.770 1.880 5.976 42.943 23.884 1.798 possible 6312 21 C SER OG 17 O2H1u 0.660 1.460 9.830 -1.000 18.732 -1.000 bad 6313 22 C CYS N 12 N3H1s 0.700 1.640 3.203 14.669 13.981 1.049 possible 6314 22 C CYS CA 3 C4H1s 0.770 1.880 2.738 13.114 13.656 0.960 [OK] 6315 22 C CYS C 1 C3H0s 0.770 1.610 3.162 9.915 8.897 1.114 possible 6316 22 C CYS O 16 O1H0u 0.660 1.420 2.973 16.853 16.543 1.019 [OK] 6317 22 C CYS CB 9 C4H2b 0.770 1.880 2.580 20.781 23.536 0.883 [OK] 6318 22 C CYS SG 20 S2H1u 1.040 1.770 3.175 33.134 3.133 10.576 possible 6319 23 C ALA N 12 N3H1s 0.700 1.640 3.212 15.242 14.046 1.085 possible 6320 23 C ALA CA 4 C4H1b 0.770 1.880 2.903 12.514 14.063 0.890 [OK] 6321 23 C ALA C 1 C3H0s 0.770 1.610 2.947 10.171 8.900 1.143 [OK] 6322 23 C ALA O 16 O1H0u 0.660 1.420 3.191 20.220 16.188 1.249 possible 6323 23 C ALA CB 10 C4H3u 0.770 1.880 37.522 -1.000 36.782 -1.000 bad 6324 24 C ALA N 12 N3H1s 0.700 1.640 3.046 16.511 14.046 1.175 possible 6325 24 C ALA CA 4 C4H1b 0.770 1.880 2.971 14.237 14.063 1.012 [OK] 6326 24 C ALA C 1 C3H0s 0.770 1.610 2.808 9.393 8.900 1.055 [OK] 6327 24 C ALA O 16 O1H0u 0.660 1.420 5.711 35.296 16.188 2.180 possible 6328 24 C ALA CB 10 C4H3u 0.770 1.880 3.257 38.513 36.782 1.047 possible 6329 25 C SER N 12 N3H1s 0.700 1.640 3.025 16.416 14.103 1.164 possible 6330 25 C SER CA 3 C4H1s 0.770 1.880 4.241 18.817 13.476 1.396 possible 6331 25 C SER C 1 C3H0s 0.770 1.610 2.792 9.386 8.923 1.052 [OK] 6332 25 C SER O 16 O1H0u 0.660 1.420 2.494 15.616 16.179 0.965 [OK] 6333 25 C SER CB 8 C4H2s 0.770 1.880 32.807 -1.000 23.884 -1.000 bad 6334 25 C SER OG 17 O2H1u 0.660 1.460 6.746 38.352 18.732 2.047 possible 6335 26 C GLY N 12 N3H1s 0.700 1.640 9.936 -1.000 14.854 -1.000 bad 6336 26 C GLY CA 8 C4H2s 0.770 1.880 12.526 -1.000 23.688 -1.000 bad 6337 26 C GLY C 2 C3H0b 0.770 1.610 7.569 21.474 9.840 2.182 possible 6338 26 C GLY O 16 O1H0u 0.660 1.420 7.843 63.157 16.391 3.853 possible 6339 27 C PHE N 12 N3H1s 0.700 1.640 4.023 -1.000 13.691 -1.000 bad 6340 27 C PHE CA 3 C4H1s 0.770 1.880 6.342 33.572 13.449 2.496 possible 6341 27 C PHE C 1 C3H0s 0.770 1.610 5.980 14.197 8.753 1.622 possible 6342 27 C PHE O 16 O1H0u 0.660 1.420 7.200 33.985 16.151 2.104 possible 6343 27 C PHE CB 8 C4H2s 0.770 1.880 3.718 31.156 23.777 1.310 possible 6344 27 C PHE CG 2 C3H0b 0.770 1.610 2.391 9.429 9.721 0.970 [OK] 6345 27 C PHE CD1 5 C3H1s 0.770 1.760 2.924 19.613 20.405 0.961 [OK] 6346 27 C PHE CD2 6 C3H1b 0.770 1.760 2.545 17.842 21.051 0.848 [OK] 6347 27 C PHE CE1 6 C3H1b 0.770 1.760 3.094 25.947 21.580 1.202 possible 6348 27 C PHE CE2 6 C3H1b 0.770 1.760 3.069 20.810 21.680 0.960 possible 6349 27 C PHE CZ 6 C3H1b 0.770 1.760 2.940 23.765 21.666 1.097 [OK] 6350 28 C THR N 12 N3H1s 0.700 1.640 3.902 23.637 13.832 1.709 possible 6351 28 C THR CA 3 C4H1s 0.770 1.880 5.604 22.477 13.099 1.716 possible 6352 28 C THR C 1 C3H0s 0.770 1.610 2.379 8.021 8.738 0.918 [OK] 6353 28 C THR O 16 O1H0u 0.660 1.420 2.388 14.759 16.020 0.921 [OK] 6354 28 C THR CB 4 C4H1b 0.770 1.880 3.028 14.248 14.829 0.961 possible 6355 28 C THR OG1 17 O2H1u 0.660 1.460 22.037 -1.000 18.123 -1.000 bad 6356 28 C THR CG2 10 C4H3u 0.770 1.880 32.261 -1.000 36.542 -1.000 bad 6357 29 C PHE N 12 N3H1s 0.700 1.640 3.749 16.941 13.691 1.237 possible 6358 29 C PHE CA 3 C4H1s 0.770 1.880 2.736 12.583 13.449 0.936 [OK] 6359 29 C PHE C 1 C3H0s 0.770 1.610 2.265 7.761 8.753 0.887 [OK] 6360 29 C PHE O 16 O1H0u 0.660 1.420 2.622 17.308 16.151 1.072 [OK] 6361 29 C PHE CB 8 C4H2s 0.770 1.880 3.165 24.682 23.777 1.038 possible 6362 29 C PHE CG 2 C3H0b 0.770 1.610 2.430 9.353 9.721 0.962 [OK] 6363 29 C PHE CD1 5 C3H1s 0.770 1.760 3.025 20.479 20.405 1.004 possible 6364 29 C PHE CD2 6 C3H1b 0.770 1.760 3.030 20.355 21.051 0.967 possible 6365 29 C PHE CE1 6 C3H1b 0.770 1.760 3.235 24.996 21.580 1.158 possible 6366 29 C PHE CE2 6 C3H1b 0.770 1.760 2.768 21.139 21.680 0.975 [OK] 6367 29 C PHE CZ 6 C3H1b 0.770 1.760 3.050 22.363 21.666 1.032 possible 6368 30 C SER N 12 N3H1s 0.700 1.640 3.694 17.535 14.103 1.243 possible 6369 30 C SER CA 3 C4H1s 0.770 1.880 2.665 13.415 13.476 0.995 [OK] 6370 30 C SER C 1 C3H0s 0.770 1.610 3.090 9.228 8.923 1.034 possible 6371 30 C SER O 16 O1H0u 0.660 1.420 5.534 30.760 16.179 1.901 possible 6372 30 C SER CB 8 C4H2s 0.770 1.880 18.313 -1.000 23.884 -1.000 bad 6373 30 C SER OG 17 O2H1u 0.660 1.460 31.073 -1.000 18.732 -1.000 bad 6374 31 C SER N 12 N3H1s 0.700 1.640 3.086 14.104 14.103 1.000 possible 6375 31 C SER CA 3 C4H1s 0.770 1.880 4.213 15.644 13.476 1.161 possible 6376 31 C SER C 1 C3H0s 0.770 1.610 2.226 8.347 8.923 0.935 [OK] 6377 31 C SER O 16 O1H0u 0.660 1.420 3.734 25.085 16.179 1.550 possible 6378 31 C SER CB 8 C4H2s 0.770 1.880 23.959 -1.000 23.884 -1.000 bad 6379 31 C SER OG 17 O2H1u 0.660 1.460 3.013 19.957 18.732 1.065 possible 6380 32 C TYR N 12 N3H1s 0.700 1.640 2.499 14.650 13.691 1.070 [OK] 6381 32 C TYR CA 3 C4H1s 0.770 1.880 3.041 13.723 13.330 1.029 possible 6382 32 C TYR C 1 C3H0s 0.770 1.610 2.455 9.326 8.770 1.063 [OK] 6383 32 C TYR O 16 O1H0u 0.660 1.420 2.540 16.067 16.124 0.996 [OK] 6384 32 C TYR CB 8 C4H2s 0.770 1.880 3.133 26.726 23.678 1.129 possible 6385 32 C TYR CG 2 C3H0b 0.770 1.610 2.508 9.799 9.732 1.007 [OK] 6386 32 C TYR CD1 5 C3H1s 0.770 1.760 2.618 17.959 20.171 0.890 [OK] 6387 32 C TYR CD2 5 C3H1s 0.770 1.760 3.052 20.331 20.728 0.981 possible 6388 32 C TYR CE1 5 C3H1s 0.770 1.760 3.589 26.991 20.675 1.305 possible 6389 32 C TYR CE2 5 C3H1s 0.770 1.760 3.100 22.633 20.810 1.088 possible 6390 32 C TYR CZ 2 C3H0b 0.770 1.610 2.496 9.786 9.926 0.986 [OK] 6391 32 C TYR OH 17 O2H1u 0.660 1.460 3.314 26.103 19.173 1.361 possible 6392 33 C THR N 12 N3H1s 0.700 1.640 2.889 14.502 13.832 1.048 [OK] 6393 33 C THR CA 3 C4H1s 0.770 1.880 2.602 13.235 13.099 1.010 [OK] 6394 33 C THR C 1 C3H0s 0.770 1.610 2.352 8.394 8.738 0.961 [OK] 6395 33 C THR O 16 O1H0u 0.660 1.420 2.501 17.101 16.020 1.067 [OK] 6396 33 C THR CB 4 C4H1b 0.770 1.880 3.587 16.703 14.829 1.126 possible 6397 33 C THR OG1 17 O2H1u 0.660 1.460 4.554 46.398 18.123 2.560 possible 6398 33 C THR CG2 10 C4H3u 0.770 1.880 3.457 43.599 36.542 1.193 possible 6399 34 C MET N 12 N3H1s 0.700 1.640 2.441 13.342 13.564 0.984 [OK] 6400 34 C MET CA 3 C4H1s 0.770 1.880 2.813 12.546 13.231 0.948 [OK] 6401 34 C MET C 1 C3H0s 0.770 1.610 2.552 9.667 8.782 1.101 [OK] 6402 34 C MET O 16 O1H0u 0.660 1.420 2.519 16.393 16.277 1.007 [OK] 6403 34 C MET CB 8 C4H2s 0.770 1.880 3.157 22.426 23.645 0.948 possible 6404 34 C MET CG 9 C4H2b 0.770 1.880 3.155 25.772 24.009 1.073 possible 6405 34 C MET SD 19 S2H0u 1.040 1.770 3.109 29.814 30.093 0.991 possible 6406 34 C MET CE 10 C4H3u 0.770 1.880 3.099 38.597 37.161 1.039 possible 6407 35 C SER N 12 N3H1s 0.700 1.640 2.582 14.932 14.103 1.059 [OK] 6408 35 C SER CA 3 C4H1s 0.770 1.880 2.760 12.416 13.476 0.921 [OK] 6409 35 C SER C 1 C3H0s 0.770 1.610 2.549 9.642 8.923 1.081 [OK] 6410 35 C SER O 16 O1H0u 0.660 1.420 2.411 15.943 16.179 0.985 [OK] 6411 35 C SER CB 8 C4H2s 0.770 1.880 3.042 22.648 23.884 0.948 possible 6412 35 C SER OG 17 O2H1u 0.660 1.460 2.485 16.189 18.732 0.864 [OK] 6413 36 C TRP N 12 N3H1s 0.700 1.640 2.455 13.289 13.791 0.964 [OK] 6414 36 C TRP CA 3 C4H1s 0.770 1.880 2.653 12.803 13.377 0.957 [OK] 6415 36 C TRP C 1 C3H0s 0.770 1.610 2.891 9.237 8.724 1.059 [OK] 6416 36 C TRP O 16 O1H0u 0.660 1.420 2.574 15.655 15.951 0.981 [OK] 6417 36 C TRP CB 8 C4H2s 0.770 1.880 3.251 26.909 24.004 1.121 possible 6418 36 C TRP CG 2 C3H0b 0.770 1.610 2.511 9.907 9.965 0.994 [OK] 6419 36 C TRP CD1 5 C3H1s 0.770 1.760 2.713 20.008 20.874 0.958 [OK] 6420 36 C TRP CD2 2 C3H0b 0.770 1.610 2.571 10.435 10.097 1.034 [OK] 6421 36 C TRP NE1 13 N3H1b 0.700 1.640 2.356 15.057 16.969 0.887 [OK] 6422 36 C TRP CE2 2 C3H0b 0.770 1.610 2.568 9.916 9.889 1.003 [OK] 6423 36 C TRP CE3 6 C3H1b 0.770 1.760 3.189 22.006 20.448 1.076 possible 6424 36 C TRP CZ2 6 C3H1b 0.770 1.760 2.653 20.903 21.012 0.995 [OK] 6425 36 C TRP CZ3 6 C3H1b 0.770 1.760 2.709 22.279 21.516 1.035 [OK] 6426 36 C TRP CH2 6 C3H1b 0.770 1.760 2.931 19.390 21.339 0.909 [OK] 6427 37 C VAL N 12 N3H1s 0.700 1.640 3.015 15.347 13.676 1.122 possible 6428 37 C VAL CA 3 C4H1s 0.770 1.880 2.457 12.619 13.123 0.962 [OK] 6429 37 C VAL C 1 C3H0s 0.770 1.610 2.900 9.060 8.563 1.058 [OK] 6430 37 C VAL O 16 O1H0u 0.660 1.420 2.793 17.674 16.181 1.092 [OK] 6431 37 C VAL CB 4 C4H1b 0.770 1.880 2.909 16.529 14.598 1.132 [OK] 6432 37 C VAL CG1 10 C4H3u 0.770 1.880 3.050 35.546 36.584 0.972 possible 6433 37 C VAL CG2 10 C4H3u 0.770 1.880 3.017 36.924 36.332 1.016 possible 6434 38 C ARG N 12 N3H1s 0.700 1.640 2.679 12.835 13.650 0.940 [OK] 6435 38 C ARG CA 3 C4H1s 0.770 1.880 2.811 12.591 13.422 0.938 [OK] 6436 38 C ARG C 1 C3H0s 0.770 1.610 2.760 9.747 8.838 1.103 [OK] 6437 38 C ARG O 16 O1H0u 0.660 1.420 2.416 16.007 16.084 0.995 [OK] 6438 38 C ARG CB 8 C4H2s 0.770 1.880 2.800 21.861 23.088 0.947 [OK] 6439 38 C ARG CG 8 C4H2s 0.770 1.880 2.880 23.262 23.640 0.984 [OK] 6440 38 C ARG CD 8 C4H2s 0.770 1.880 3.062 22.025 23.300 0.945 possible 6441 38 C ARG NE 13 N3H1b 0.700 1.640 3.202 20.157 15.569 1.295 possible 6442 38 C ARG CZ 2 C3H0b 0.770 1.610 3.309 11.875 9.747 1.218 possible 6443 38 C ARG NH1 15 N3H2u 0.700 1.640 2.733 22.933 22.782 1.007 [OK] 6444 38 C ARG NH2 15 N3H2u 0.700 1.640 4.232 44.268 23.810 1.859 possible 6445 39 C GLN N 12 N3H1s 0.700 1.640 2.673 14.747 13.616 1.083 [OK] 6446 39 C GLN CA 3 C4H1s 0.770 1.880 2.520 12.016 13.334 0.901 [OK] 6447 39 C GLN C 1 C3H0s 0.770 1.610 2.342 8.029 8.787 0.914 [OK] 6448 39 C GLN O 16 O1H0u 0.660 1.420 3.723 21.619 15.993 1.352 possible 6449 39 C GLN CB 8 C4H2s 0.770 1.880 2.967 23.686 23.275 1.018 [OK] 6450 39 C GLN CG 8 C4H2s 0.770 1.880 3.405 24.864 23.465 1.060 possible 6451 39 C GLN CD 2 C3H0b 0.770 1.610 2.766 10.486 9.659 1.086 [OK] 6452 39 C GLN OE1 16 O1H0u 0.660 1.420 3.716 30.865 17.091 1.806 possible 6453 39 C GLN NE2 15 N3H2u 0.700 1.640 2.831 25.748 24.150 1.066 [OK] 6454 40 C THR N 12 N3H1s 0.700 1.640 2.714 14.172 13.832 1.025 [OK] 6455 40 C THR CA 3 C4H1s 0.770 1.880 2.754 11.820 13.099 0.902 [OK] 6456 40 C THR C 1 C3H0s 0.770 1.610 2.851 8.813 8.738 1.009 [OK] 6457 40 C THR O 16 O1H0u 0.660 1.420 3.295 17.241 16.020 1.076 possible 6458 40 C THR CB 4 C4H1b 0.770 1.880 3.848 16.889 14.829 1.139 possible 6459 40 C THR OG1 17 O2H1u 0.660 1.460 3.434 20.361 18.123 1.123 possible 6460 40 C THR CG2 10 C4H3u 0.770 1.880 4.430 53.041 36.542 1.451 possible 6461 41 C PRO N 11 N3H0u 0.700 1.640 3.603 9.934 8.823 1.126 possible 6462 41 C PRO CA 4 C4H1b 0.770 1.880 6.022 33.273 13.955 2.384 possible 6463 41 C PRO C 1 C3H0s 0.770 1.610 3.965 9.396 8.812 1.066 possible 6464 41 C PRO O 16 O1H0u 0.660 1.420 17.097 -1.000 16.169 -1.000 bad 6465 41 C PRO CB 9 C4H2b 0.770 1.880 30.207 -1.000 25.563 -1.000 bad 6466 41 C PRO CG 9 C4H2b 0.770 1.880 24.083 -1.000 25.832 -1.000 bad 6467 41 C PRO CD 8 C4H2s 0.770 1.880 4.336 31.900 23.836 1.338 possible 6468 42 C GLU N 12 N3H1s 0.700 1.640 3.472 13.834 13.615 1.016 possible 6469 42 C GLU CA 3 C4H1s 0.770 1.880 9.602 -1.000 13.399 -1.000 bad 6470 42 C GLU C 1 C3H0s 0.770 1.610 3.155 9.593 8.675 1.106 possible 6471 42 C GLU O 16 O1H0u 0.660 1.420 7.457 45.067 16.023 2.813 possible 6472 42 C GLU CB 8 C4H2s 0.770 1.880 4.618 25.238 23.529 1.073 possible 6473 42 C GLU CG 8 C4H2s 0.770 1.880 30.586 -1.000 23.513 -1.000 bad 6474 42 C GLU CD 2 C3H0b 0.770 1.610 3.404 -1.000 9.460 -1.000 bad 6475 42 C GLU OE1 16 O1H0u 0.660 1.420 24.705 -1.000 15.999 -1.000 bad 6476 42 C GLU OE2 16 O1H0u 0.660 1.420 26.498 -1.000 17.432 -1.000 bad 6477 43 C LYS N 12 N3H1s 0.700 1.640 2.287 12.163 13.675 0.889 [OK] 6478 43 C LYS CA 3 C4H1s 0.770 1.880 2.672 13.420 13.324 1.007 [OK] 6479 43 C LYS C 1 C3H0s 0.770 1.610 3.172 10.258 8.759 1.171 possible 6480 43 C LYS O 16 O1H0u 0.660 1.420 3.198 19.668 16.049 1.225 possible 6481 43 C LYS CB 8 C4H2s 0.770 1.880 3.461 23.323 22.904 1.018 possible 6482 43 C LYS CG 8 C4H2s 0.770 1.880 6.587 41.888 23.131 1.811 possible 6483 43 C LYS CD 8 C4H2s 0.770 1.880 3.895 40.310 23.837 1.691 possible 6484 43 C LYS CE 9 C4H2b 0.770 1.880 28.176 -1.000 23.934 -1.000 bad 6485 43 C LYS NZ 14 N4H3u 0.700 1.640 22.439 -1.000 21.213 -1.000 bad 6486 44 C ARG N 12 N3H1s 0.700 1.640 2.662 14.283 13.650 1.046 [OK] 6487 44 C ARG CA 3 C4H1s 0.770 1.880 3.060 15.210 13.422 1.133 possible 6488 44 C ARG C 1 C3H0s 0.770 1.610 2.581 9.350 8.838 1.058 [OK] 6489 44 C ARG O 16 O1H0u 0.660 1.420 2.507 16.380 16.084 1.018 [OK] 6490 44 C ARG CB 8 C4H2s 0.770 1.880 5.591 40.446 23.088 1.752 possible 6491 44 C ARG CG 8 C4H2s 0.770 1.880 5.548 35.792 23.640 1.514 possible 6492 44 C ARG CD 8 C4H2s 0.770 1.880 15.478 -1.000 23.300 -1.000 bad 6493 44 C ARG NE 13 N3H1b 0.700 1.640 5.779 38.750 15.569 2.489 possible 6494 44 C ARG CZ 2 C3H0b 0.770 1.610 7.316 20.882 9.747 2.142 possible 6495 44 C ARG NH1 15 N3H2u 0.700 1.640 32.637 -1.000 22.782 -1.000 bad 6496 44 C ARG NH2 15 N3H2u 0.700 1.640 49.479 -1.000 23.810 -1.000 bad 6497 45 C LEU N 12 N3H1s 0.700 1.640 2.664 15.619 13.655 1.144 [OK] 6498 45 C LEU CA 3 C4H1s 0.770 1.880 2.579 12.292 13.122 0.937 [OK] 6499 45 C LEU C 1 C3H0s 0.770 1.610 2.497 9.270 8.825 1.050 [OK] 6500 45 C LEU O 16 O1H0u 0.660 1.420 4.940 34.004 16.208 2.098 possible 6501 45 C LEU CB 8 C4H2s 0.770 1.880 2.899 22.600 22.951 0.985 [OK] 6502 45 C LEU CG 4 C4H1b 0.770 1.880 2.892 16.095 14.764 1.090 [OK] 6503 45 C LEU CD1 10 C4H3u 0.770 1.880 3.245 39.500 37.425 1.055 possible 6504 45 C LEU CD2 10 C4H3u 0.770 1.880 3.102 38.222 37.143 1.029 possible 6505 46 C GLU N 12 N3H1s 0.700 1.640 2.615 14.512 13.615 1.066 [OK] 6506 46 C GLU CA 3 C4H1s 0.770 1.880 5.083 18.922 13.399 1.412 possible 6507 46 C GLU C 1 C3H0s 0.770 1.610 2.487 9.079 8.675 1.047 [OK] 6508 46 C GLU O 16 O1H0u 0.660 1.420 2.418 14.594 16.023 0.911 [OK] 6509 46 C GLU CB 8 C4H2s 0.770 1.880 5.530 30.085 23.529 1.279 possible 6510 46 C GLU CG 8 C4H2s 0.770 1.880 7.640 67.489 23.513 2.870 possible 6511 46 C GLU CD 2 C3H0b 0.770 1.610 5.418 14.929 9.460 1.578 possible 6512 46 C GLU OE1 16 O1H0u 0.660 1.420 3.690 28.578 15.999 1.786 possible 6513 46 C GLU OE2 16 O1H0u 0.660 1.420 29.366 -1.000 17.432 -1.000 bad 6514 47 C TRP N 12 N3H1s 0.700 1.640 5.060 28.152 13.791 2.041 possible 6515 47 C TRP CA 3 C4H1s 0.770 1.880 2.752 14.540 13.377 1.087 [OK] 6516 47 C TRP C 1 C3H0s 0.770 1.610 2.379 8.250 8.724 0.946 [OK] 6517 47 C TRP O 16 O1H0u 0.660 1.420 3.993 26.153 15.951 1.640 possible 6518 47 C TRP CB 8 C4H2s 0.770 1.880 4.638 27.642 24.004 1.152 possible 6519 47 C TRP CG 2 C3H0b 0.770 1.610 2.556 9.602 9.965 0.964 [OK] 6520 47 C TRP CD1 5 C3H1s 0.770 1.760 3.180 23.027 20.874 1.103 possible 6521 47 C TRP CD2 2 C3H0b 0.770 1.610 2.556 10.325 10.097 1.023 [OK] 6522 47 C TRP NE1 13 N3H1b 0.700 1.640 3.005 18.625 16.969 1.098 possible 6523 47 C TRP CE2 2 C3H0b 0.770 1.610 2.656 10.959 9.889 1.108 [OK] 6524 47 C TRP CE3 6 C3H1b 0.770 1.760 2.972 21.316 20.448 1.042 [OK] 6525 47 C TRP CZ2 6 C3H1b 0.770 1.760 2.623 19.552 21.012 0.931 [OK] 6526 47 C TRP CZ3 6 C3H1b 0.770 1.760 2.891 17.460 21.516 0.812 [OK] 6527 47 C TRP CH2 6 C3H1b 0.770 1.760 2.678 20.042 21.339 0.939 [OK] 6528 48 C VAL N 12 N3H1s 0.700 1.640 2.537 13.200 13.676 0.965 [OK] 6529 48 C VAL CA 3 C4H1s 0.770 1.880 3.091 13.570 13.123 1.034 possible 6530 48 C VAL C 1 C3H0s 0.770 1.610 2.668 8.828 8.563 1.031 [OK] 6531 48 C VAL O 16 O1H0u 0.660 1.420 2.574 15.376 16.181 0.950 [OK] 6532 48 C VAL CB 4 C4H1b 0.770 1.880 3.025 13.573 14.598 0.930 possible 6533 48 C VAL CG1 10 C4H3u 0.770 1.880 3.015 36.784 36.584 1.005 possible 6534 48 C VAL CG2 10 C4H3u 0.770 1.880 3.380 35.402 36.332 0.974 possible 6535 49 C ALA N 12 N3H1s 0.700 1.640 2.695 14.272 14.046 1.016 [OK] 6536 49 C ALA CA 4 C4H1b 0.770 1.880 2.968 13.326 14.063 0.948 [OK] 6537 49 C ALA C 1 C3H0s 0.770 1.610 2.531 8.966 8.900 1.007 [OK] 6538 49 C ALA O 16 O1H0u 0.660 1.420 2.537 15.461 16.188 0.955 [OK] 6539 49 C ALA CB 10 C4H3u 0.770 1.880 3.010 34.946 36.782 0.950 possible 6540 50 C SER N 12 N3H1s 0.700 1.640 2.686 14.789 14.103 1.049 [OK] 6541 50 C SER CA 3 C4H1s 0.770 1.880 2.565 12.643 13.476 0.938 [OK] 6542 50 C SER C 1 C3H0s 0.770 1.610 2.514 9.003 8.923 1.009 [OK] 6543 50 C SER O 16 O1H0u 0.660 1.420 2.506 16.546 16.179 1.023 [OK] 6544 50 C SER CB 8 C4H2s 0.770 1.880 3.215 24.952 23.884 1.045 possible 6545 50 C SER OG 17 O2H1u 0.660 1.460 2.530 17.998 18.732 0.961 [OK] 6546 51 C ILE N 12 N3H1s 0.700 1.640 2.935 14.836 13.633 1.088 [OK] 6547 51 C ILE CA 3 C4H1s 0.770 1.880 2.869 12.902 13.007 0.992 [OK] 6548 51 C ILE C 1 C3H0s 0.770 1.610 2.918 9.072 8.470 1.071 [OK] 6549 51 C ILE O 16 O1H0u 0.660 1.420 2.202 13.543 16.144 0.839 [OK] 6550 51 C ILE CB 4 C4H1b 0.770 1.880 2.531 12.790 14.227 0.899 [OK] 6551 51 C ILE CG1 9 C4H2b 0.770 1.880 2.912 22.556 24.187 0.933 [OK] 6552 51 C ILE CG2 10 C4H3u 0.770 1.880 3.091 31.321 35.961 0.871 possible 6553 51 C ILE CD1 10 C4H3u 0.770 1.880 4.094 41.185 38.377 1.073 possible 6554 52 C ASN N 12 N3H1s 0.700 1.640 2.990 15.949 13.695 1.165 [OK] 6555 52 C ASN CA 3 C4H1s 0.770 1.880 3.072 13.351 13.167 1.014 possible 6556 52 C ASN C 1 C3H0s 0.770 1.610 2.279 8.965 8.928 1.004 [OK] 6557 52 C ASN O 16 O1H0u 0.660 1.420 2.074 13.403 16.199 0.827 [OK] 6558 52 C ASN CB 8 C4H2s 0.770 1.880 5.384 50.436 23.128 2.181 possible 6559 52 C ASN CG 2 C3H0b 0.770 1.610 2.555 9.463 9.599 0.986 [OK] 6560 52 C ASN OD1 16 O1H0u 0.660 1.420 2.308 13.707 16.664 0.823 [OK] 6561 52 C ASN ND2 15 N3H2u 0.700 1.640 6.249 81.780 23.083 3.543 possible 6562 53 C ASN N 12 N3H1s 0.700 1.640 2.840 14.386 13.695 1.050 [OK] 6563 53 C ASN CA 3 C4H1s 0.770 1.880 2.800 14.907 13.167 1.132 [OK] 6564 53 C ASN C 1 C3H0s 0.770 1.610 4.019 9.612 8.928 1.077 possible 6565 53 C ASN O 16 O1H0u 0.660 1.420 3.695 23.725 16.199 1.465 possible 6566 53 C ASN CB 8 C4H2s 0.770 1.880 18.750 -1.000 23.128 -1.000 bad 6567 53 C ASN CG 2 C3H0b 0.770 1.610 5.244 15.702 9.599 1.636 possible 6568 53 C ASN OD1 16 O1H0u 0.660 1.420 5.136 34.512 16.664 2.071 possible 6569 53 C ASN ND2 15 N3H2u 0.700 1.640 4.945 61.297 23.083 2.656 possible 6570 54 C GLY N 12 N3H1s 0.700 1.640 1.841 -1.000 14.854 -1.000 bad 6571 54 C GLY CA 8 C4H2s 0.770 1.880 36.193 -1.000 23.688 -1.000 bad 6572 54 C GLY C 2 C3H0b 0.770 1.610 3.611 11.134 9.840 1.132 possible 6573 54 C GLY O 16 O1H0u 0.660 1.420 28.439 -1.000 16.391 -1.000 bad 6574 55 C GLY N 12 N3H1s 0.700 1.640 2.590 13.890 14.854 0.935 [OK] 6575 55 C GLY CA 8 C4H2s 0.770 1.880 4.492 27.331 23.688 1.154 possible 6576 55 C GLY C 2 C3H0b 0.770 1.610 3.455 10.965 9.840 1.114 possible 6577 55 C GLY O 16 O1H0u 0.660 1.420 23.075 -1.000 16.391 -1.000 bad 6578 56 C GLY N 12 N3H1s 0.700 1.640 4.168 20.469 14.854 1.378 possible 6579 56 C GLY CA 8 C4H2s 0.770 1.880 37.046 -1.000 23.688 -1.000 bad 6580 56 C GLY C 2 C3H0b 0.770 1.610 3.988 11.271 9.840 1.145 possible 6581 56 C GLY O 16 O1H0u 0.660 1.420 35.169 -1.000 16.391 -1.000 bad 6582 57 C ARG N 12 N3H1s 0.700 1.640 2.614 13.375 13.650 0.980 [OK] 6583 57 C ARG CA 3 C4H1s 0.770 1.880 4.179 17.188 13.422 1.281 possible 6584 57 C ARG C 1 C3H0s 0.770 1.610 2.715 9.263 8.838 1.048 [OK] 6585 57 C ARG O 16 O1H0u 0.660 1.420 2.488 18.051 16.084 1.122 [OK] 6586 57 C ARG CB 8 C4H2s 0.770 1.880 3.243 24.929 23.088 1.080 possible 6587 57 C ARG CG 8 C4H2s 0.770 1.880 6.549 43.758 23.640 1.851 possible 6588 57 C ARG CD 8 C4H2s 0.770 1.880 21.037 -1.000 23.300 -1.000 bad 6589 57 C ARG NE 13 N3H1b 0.700 1.640 13.563 -1.000 15.569 -1.000 bad 6590 57 C ARG CZ 2 C3H0b 0.770 1.610 6.709 20.375 9.747 2.090 possible 6591 57 C ARG NH1 15 N3H2u 0.700 1.640 23.568 -1.000 22.782 -1.000 bad 6592 57 C ARG NH2 15 N3H2u 0.700 1.640 54.128 -1.000 23.810 -1.000 bad 6593 58 C THR N 12 N3H1s 0.700 1.640 4.694 22.613 13.832 1.635 possible 6594 58 C THR CA 3 C4H1s 0.770 1.880 2.606 12.240 13.099 0.934 [OK] 6595 58 C THR C 1 C3H0s 0.770 1.610 2.455 8.926 8.738 1.022 [OK] 6596 58 C THR O 16 O1H0u 0.660 1.420 6.147 53.532 16.020 3.342 possible 6597 58 C THR CB 4 C4H1b 0.770 1.880 2.944 14.531 14.829 0.980 [OK] 6598 58 C THR OG1 17 O2H1u 0.660 1.460 15.568 -1.000 18.123 -1.000 bad 6599 58 C THR CG2 10 C4H3u 0.770 1.880 4.720 53.933 36.542 1.476 possible 6600 59 C TYR N 12 N3H1s 0.700 1.640 2.737 14.333 13.691 1.047 [OK] 6601 59 C TYR CA 3 C4H1s 0.770 1.880 4.338 18.441 13.330 1.383 possible 6602 59 C TYR C 1 C3H0s 0.770 1.610 2.740 9.336 8.770 1.065 [OK] 6603 59 C TYR O 16 O1H0u 0.660 1.420 2.631 19.050 16.124 1.181 [OK] 6604 59 C TYR CB 8 C4H2s 0.770 1.880 3.575 23.073 23.678 0.974 possible 6605 59 C TYR CG 2 C3H0b 0.770 1.610 2.458 9.109 9.732 0.936 [OK] 6606 59 C TYR CD1 5 C3H1s 0.770 1.760 6.539 49.628 20.171 2.460 possible 6607 59 C TYR CD2 5 C3H1s 0.770 1.760 2.965 19.722 20.728 0.951 [OK] 6608 59 C TYR CE1 5 C3H1s 0.770 1.760 5.288 35.631 20.675 1.723 possible 6609 59 C TYR CE2 5 C3H1s 0.770 1.760 3.321 30.094 20.810 1.446 possible 6610 59 C TYR CZ 2 C3H0b 0.770 1.610 2.955 11.498 9.926 1.158 [OK] 6611 59 C TYR OH 17 O2H1u 0.660 1.460 4.618 47.642 19.173 2.485 possible 6612 60 C TYR N 12 N3H1s 0.700 1.640 4.025 21.204 13.691 1.549 possible 6613 60 C TYR CA 3 C4H1s 0.770 1.880 3.042 13.135 13.330 0.985 possible 6614 60 C TYR C 1 C3H0s 0.770 1.610 2.599 8.946 8.770 1.020 [OK] 6615 60 C TYR O 16 O1H0u 0.660 1.420 5.291 36.153 16.124 2.242 possible 6616 60 C TYR CB 8 C4H2s 0.770 1.880 2.883 23.444 23.678 0.990 [OK] 6617 60 C TYR CG 2 C3H0b 0.770 1.610 2.870 10.315 9.732 1.060 [OK] 6618 60 C TYR CD1 5 C3H1s 0.770 1.760 3.041 21.453 20.171 1.064 possible 6619 60 C TYR CD2 5 C3H1s 0.770 1.760 4.262 29.129 20.728 1.405 possible 6620 60 C TYR CE1 5 C3H1s 0.770 1.760 2.958 21.270 20.675 1.029 [OK] 6621 60 C TYR CE2 5 C3H1s 0.770 1.760 5.065 27.123 20.810 1.303 possible 6622 60 C TYR CZ 2 C3H0b 0.770 1.610 2.763 10.700 9.926 1.078 [OK] 6623 60 C TYR OH 17 O2H1u 0.660 1.460 2.843 17.115 19.173 0.893 [OK] 6624 61 C PRO N 11 N3H0u 0.700 1.640 2.466 7.807 8.823 0.885 [OK] 6625 61 C PRO CA 4 C4H1b 0.770 1.880 4.131 18.120 13.955 1.298 possible 6626 61 C PRO C 1 C3H0s 0.770 1.610 2.441 8.442 8.812 0.958 [OK] 6627 61 C PRO O 16 O1H0u 0.660 1.420 2.269 13.857 16.169 0.857 [OK] 6628 61 C PRO CB 9 C4H2b 0.770 1.880 5.461 47.792 25.563 1.870 possible 6629 61 C PRO CG 9 C4H2b 0.770 1.880 4.209 26.216 25.832 1.015 possible 6630 61 C PRO CD 8 C4H2s 0.770 1.880 3.143 22.185 23.836 0.931 possible 6631 62 C ASP N 12 N3H1s 0.700 1.640 4.582 26.124 13.895 1.880 possible 6632 62 C ASP CA 3 C4H1s 0.770 1.880 3.236 13.575 13.377 1.015 possible 6633 62 C ASP C 1 C3H0s 0.770 1.610 4.458 9.578 8.816 1.086 possible 6634 62 C ASP O 16 O1H0u 0.660 1.420 18.062 -1.000 16.091 -1.000 bad 6635 62 C ASP CB 8 C4H2s 0.770 1.880 32.274 -1.000 23.481 -1.000 bad 6636 62 C ASP CG 2 C3H0b 0.770 1.610 3.913 -1.000 9.422 -1.000 bad 6637 62 C ASP OD1 16 O1H0u 0.660 1.420 28.674 -1.000 15.505 -1.000 bad 6638 62 C ASP OD2 16 O1H0u 0.660 1.420 44.431 -1.000 16.324 -1.000 bad 6639 63 C THR N 12 N3H1s 0.700 1.640 4.580 16.226 13.832 1.173 possible 6640 63 C THR CA 3 C4H1s 0.770 1.880 10.470 -1.000 13.099 -1.000 bad 6641 63 C THR C 1 C3H0s 0.770 1.610 2.655 8.397 8.738 0.961 [OK] 6642 63 C THR O 16 O1H0u 0.660 1.420 4.829 40.575 16.020 2.533 possible 6643 63 C THR CB 4 C4H1b 0.770 1.880 4.629 25.292 14.829 1.706 possible 6644 63 C THR OG1 17 O2H1u 0.660 1.460 3.451 25.703 18.123 1.418 possible 6645 63 C THR CG2 10 C4H3u 0.770 1.880 54.291 -1.000 36.542 -1.000 bad 6646 64 C VAL N 12 N3H1s 0.700 1.640 2.352 11.629 13.676 0.850 [OK] 6647 64 C VAL CA 3 C4H1s 0.770 1.880 2.801 13.545 13.123 1.032 [OK] 6648 64 C VAL C 1 C3H0s 0.770 1.610 2.914 9.606 8.563 1.122 [OK] 6649 64 C VAL O 16 O1H0u 0.660 1.420 2.563 16.530 16.181 1.022 [OK] 6650 64 C VAL CB 4 C4H1b 0.770 1.880 2.776 13.081 14.598 0.896 [OK] 6651 64 C VAL CG1 10 C4H3u 0.770 1.880 3.539 37.784 36.584 1.033 possible 6652 64 C VAL CG2 10 C4H3u 0.770 1.880 3.027 33.119 36.332 0.912 possible 6653 65 C LYS N 12 N3H1s 0.700 1.640 2.923 14.788 13.675 1.081 [OK] 6654 65 C LYS CA 3 C4H1s 0.770 1.880 2.920 14.132 13.324 1.061 [OK] 6655 65 C LYS C 1 C3H0s 0.770 1.610 3.580 8.844 8.759 1.010 possible 6656 65 C LYS O 16 O1H0u 0.660 1.420 17.261 -1.000 16.049 -1.000 bad 6657 65 C LYS CB 8 C4H2s 0.770 1.880 6.042 33.892 22.904 1.480 possible 6658 65 C LYS CG 8 C4H2s 0.770 1.880 12.233 -1.000 23.131 -1.000 bad 6659 65 C LYS CD 8 C4H2s 0.770 1.880 7.987 -1.000 23.837 -1.000 bad 6660 65 C LYS CE 9 C4H2b 0.770 1.880 43.574 -1.000 23.934 -1.000 bad 6661 65 C LYS NZ 14 N4H3u 0.700 1.640 27.912 -1.000 21.213 -1.000 bad 6662 66 C GLY N 12 N3H1s 0.700 1.640 4.636 18.230 14.854 1.227 possible 6663 66 C GLY CA 8 C4H2s 0.770 1.880 36.676 -1.000 23.688 -1.000 bad 6664 66 C GLY C 2 C3H0b 0.770 1.610 4.061 13.181 9.840 1.340 possible 6665 66 C GLY O 16 O1H0u 0.660 1.420 32.924 -1.000 16.391 -1.000 bad 6666 67 C ARG N 12 N3H1s 0.700 1.640 2.480 12.682 13.650 0.929 [OK] 6667 67 C ARG CA 3 C4H1s 0.770 1.880 3.504 15.001 13.422 1.118 possible 6668 67 C ARG C 1 C3H0s 0.770 1.610 3.026 9.269 8.838 1.049 possible 6669 67 C ARG O 16 O1H0u 0.660 1.420 3.697 24.395 16.084 1.517 possible 6670 67 C ARG CB 8 C4H2s 0.770 1.880 2.914 21.596 23.088 0.935 [OK] 6671 67 C ARG CG 8 C4H2s 0.770 1.880 12.866 -1.000 23.640 -1.000 bad 6672 67 C ARG CD 8 C4H2s 0.770 1.880 15.442 -1.000 23.300 -1.000 bad 6673 67 C ARG NE 13 N3H1b 0.700 1.640 5.172 25.253 15.569 1.622 possible 6674 67 C ARG CZ 2 C3H0b 0.770 1.610 2.518 9.397 9.747 0.964 [OK] 6675 67 C ARG NH1 15 N3H2u 0.700 1.640 2.542 20.776 22.782 0.912 [OK] 6676 67 C ARG NH2 15 N3H2u 0.700 1.640 3.604 30.419 23.810 1.278 possible 6677 68 C PHE N 12 N3H1s 0.700 1.640 2.471 12.044 13.691 0.880 [OK] 6678 68 C PHE CA 3 C4H1s 0.770 1.880 2.602 11.745 13.449 0.873 [OK] 6679 68 C PHE C 1 C3H0s 0.770 1.610 2.558 9.450 8.753 1.080 [OK] 6680 68 C PHE O 16 O1H0u 0.660 1.420 2.978 20.268 16.151 1.255 [OK] 6681 68 C PHE CB 8 C4H2s 0.770 1.880 3.076 26.498 23.777 1.114 possible 6682 68 C PHE CG 2 C3H0b 0.770 1.610 2.655 9.976 9.721 1.026 [OK] 6683 68 C PHE CD1 5 C3H1s 0.770 1.760 2.677 16.802 20.405 0.823 [OK] 6684 68 C PHE CD2 6 C3H1b 0.770 1.760 2.775 18.177 21.051 0.863 [OK] 6685 68 C PHE CE1 6 C3H1b 0.770 1.760 2.701 20.044 21.580 0.929 [OK] 6686 68 C PHE CE2 6 C3H1b 0.770 1.760 2.676 19.763 21.680 0.912 [OK] 6687 68 C PHE CZ 6 C3H1b 0.770 1.760 2.510 19.613 21.666 0.905 [OK] 6688 69 C THR N 12 N3H1s 0.700 1.640 2.629 15.073 13.832 1.090 [OK] 6689 69 C THR CA 3 C4H1s 0.770 1.880 3.015 13.016 13.099 0.994 possible 6690 69 C THR C 1 C3H0s 0.770 1.610 2.277 8.025 8.738 0.918 [OK] 6691 69 C THR O 16 O1H0u 0.660 1.420 2.337 14.206 16.020 0.887 [OK] 6692 69 C THR CB 4 C4H1b 0.770 1.880 3.663 15.215 14.829 1.026 possible 6693 69 C THR OG1 17 O2H1u 0.660 1.460 25.686 -1.000 18.123 -1.000 bad 6694 69 C THR CG2 10 C4H3u 0.770 1.880 34.797 -1.000 36.542 -1.000 bad 6695 70 C ILE N 12 N3H1s 0.700 1.640 2.614 13.368 13.633 0.981 [OK] 6696 70 C ILE CA 3 C4H1s 0.770 1.880 2.647 12.530 13.007 0.963 [OK] 6697 70 C ILE C 1 C3H0s 0.770 1.610 2.434 8.819 8.470 1.041 [OK] 6698 70 C ILE O 16 O1H0u 0.660 1.420 5.629 32.554 16.144 2.016 possible 6699 70 C ILE CB 4 C4H1b 0.770 1.880 2.784 13.768 14.227 0.968 [OK] 6700 70 C ILE CG1 9 C4H2b 0.770 1.880 2.796 20.973 24.187 0.867 [OK] 6701 70 C ILE CG2 10 C4H3u 0.770 1.880 2.975 30.768 35.961 0.856 [OK] 6702 70 C ILE CD1 10 C4H3u 0.770 1.880 2.877 33.283 38.377 0.867 [OK] 6703 71 C SER N 12 N3H1s 0.700 1.640 2.519 13.140 14.103 0.932 [OK] 6704 71 C SER CA 3 C4H1s 0.770 1.880 4.061 14.912 13.476 1.107 possible 6705 71 C SER C 1 C3H0s 0.770 1.610 2.526 9.099 8.923 1.020 [OK] 6706 71 C SER O 16 O1H0u 0.660 1.420 2.432 15.302 16.179 0.946 [OK] 6707 71 C SER CB 8 C4H2s 0.770 1.880 31.404 -1.000 23.884 -1.000 bad 6708 71 C SER OG 17 O2H1u 0.660 1.460 6.618 -1.000 18.732 -1.000 bad 6709 72 C ARG N 12 N3H1s 0.700 1.640 4.351 20.355 13.650 1.491 possible 6710 72 C ARG CA 3 C4H1s 0.770 1.880 2.860 14.327 13.422 1.067 [OK] 6711 72 C ARG C 1 C3H0s 0.770 1.610 2.887 10.334 8.838 1.169 [OK] 6712 72 C ARG O 16 O1H0u 0.660 1.420 24.755 -1.000 16.084 -1.000 bad 6713 72 C ARG CB 8 C4H2s 0.770 1.880 3.119 25.054 23.088 1.085 possible 6714 72 C ARG CG 8 C4H2s 0.770 1.880 3.812 30.039 23.640 1.271 possible 6715 72 C ARG CD 8 C4H2s 0.770 1.880 3.031 22.467 23.300 0.964 possible 6716 72 C ARG NE 13 N3H1b 0.700 1.640 2.874 15.966 15.569 1.025 [OK] 6717 72 C ARG CZ 2 C3H0b 0.770 1.610 2.851 10.313 9.747 1.058 [OK] 6718 72 C ARG NH1 15 N3H2u 0.700 1.640 2.809 20.731 22.782 0.910 [OK] 6719 72 C ARG NH2 15 N3H2u 0.700 1.640 2.650 23.396 23.810 0.983 [OK] 6720 73 C ASP N 12 N3H1s 0.700 1.640 2.644 15.240 13.895 1.097 [OK] 6721 73 C ASP CA 3 C4H1s 0.770 1.880 4.731 16.433 13.377 1.228 possible 6722 73 C ASP C 1 C3H0s 0.770 1.610 2.432 8.445 8.816 0.958 [OK] 6723 73 C ASP O 16 O1H0u 0.660 1.420 2.363 15.333 16.091 0.953 [OK] 6724 73 C ASP CB 8 C4H2s 0.770 1.880 3.736 28.611 23.481 1.218 possible 6725 73 C ASP CG 2 C3H0b 0.770 1.610 4.429 9.744 9.422 1.034 possible 6726 73 C ASP OD1 16 O1H0u 0.660 1.420 5.575 27.549 15.505 1.777 possible 6727 73 C ASP OD2 16 O1H0u 0.660 1.420 33.373 -1.000 16.324 -1.000 bad 6728 74 C ASN N 12 N3H1s 0.700 1.640 4.819 20.265 13.695 1.480 possible 6729 74 C ASN CA 3 C4H1s 0.770 1.880 2.962 13.644 13.167 1.036 [OK] 6730 74 C ASN C 1 C3H0s 0.770 1.610 4.384 9.932 8.928 1.112 possible 6731 74 C ASN O 16 O1H0u 0.660 1.420 12.197 -1.000 16.199 -1.000 bad 6732 74 C ASN CB 8 C4H2s 0.770 1.880 17.263 -1.000 23.128 -1.000 bad 6733 74 C ASN CG 2 C3H0b 0.770 1.610 4.016 12.285 9.599 1.280 possible 6734 74 C ASN OD1 16 O1H0u 0.660 1.420 3.200 20.096 16.664 1.206 possible 6735 74 C ASN ND2 15 N3H2u 0.700 1.640 19.257 -1.000 23.083 -1.000 bad 6736 75 C ALA N 12 N3H1s 0.700 1.640 4.938 21.860 14.046 1.556 possible 6737 75 C ALA CA 4 C4H1b 0.770 1.880 9.766 -1.000 14.063 -1.000 bad 6738 75 C ALA C 1 C3H0s 0.770 1.610 3.218 9.449 8.900 1.062 possible 6739 75 C ALA O 16 O1H0u 0.660 1.420 29.451 -1.000 16.188 -1.000 bad 6740 75 C ALA CB 10 C4H3u 0.770 1.880 54.464 -1.000 36.782 -1.000 bad 6741 76 C LYS N 12 N3H1s 0.700 1.640 2.437 12.563 13.675 0.919 [OK] 6742 76 C LYS CA 3 C4H1s 0.770 1.880 7.780 24.115 13.324 1.810 possible 6743 76 C LYS C 1 C3H0s 0.770 1.610 3.591 10.702 8.759 1.222 possible 6744 76 C LYS O 16 O1H0u 0.660 1.420 12.912 -1.000 16.049 -1.000 bad 6745 76 C LYS CB 8 C4H2s 0.770 1.880 5.369 30.843 22.904 1.347 possible 6746 76 C LYS CG 8 C4H2s 0.770 1.880 23.348 -1.000 23.131 -1.000 bad 6747 76 C LYS CD 8 C4H2s 0.770 1.880 34.693 -1.000 23.837 -1.000 bad 6748 76 C LYS CE 9 C4H2b 0.770 1.880 5.324 -1.000 23.934 -1.000 bad 6749 76 C LYS NZ 14 N4H3u 0.700 1.640 38.577 -1.000 21.213 -1.000 bad 6750 77 C ASN N 12 N3H1s 0.700 1.640 2.746 13.731 13.695 1.003 [OK] 6751 77 C ASN CA 3 C4H1s 0.770 1.880 2.652 13.555 13.167 1.029 [OK] 6752 77 C ASN C 1 C3H0s 0.770 1.610 2.311 9.078 8.928 1.017 [OK] 6753 77 C ASN O 16 O1H0u 0.660 1.420 3.199 17.815 16.199 1.100 possible 6754 77 C ASN CB 8 C4H2s 0.770 1.880 7.911 43.112 23.128 1.864 possible 6755 77 C ASN CG 2 C3H0b 0.770 1.610 6.499 17.236 9.599 1.796 possible 6756 77 C ASN OD1 16 O1H0u 0.660 1.420 14.640 -1.000 16.664 -1.000 bad 6757 77 C ASN ND2 15 N3H2u 0.700 1.640 21.347 -1.000 23.083 -1.000 bad 6758 78 C THR N 12 N3H1s 0.700 1.640 2.502 14.127 13.832 1.021 [OK] 6759 78 C THR CA 3 C4H1s 0.770 1.880 3.090 12.544 13.099 0.958 possible 6760 78 C THR C 1 C3H0s 0.770 1.610 2.554 9.549 8.738 1.093 [OK] 6761 78 C THR O 16 O1H0u 0.660 1.420 2.431 18.259 16.020 1.140 [OK] 6762 78 C THR CB 4 C4H1b 0.770 1.880 3.468 16.893 14.829 1.139 possible 6763 78 C THR OG1 17 O2H1u 0.660 1.460 3.378 23.948 18.123 1.321 possible 6764 78 C THR CG2 10 C4H3u 0.770 1.880 23.373 -1.000 36.542 -1.000 bad 6765 79 C LEU N 12 N3H1s 0.700 1.640 2.969 15.144 13.655 1.109 [OK] 6766 79 C LEU CA 3 C4H1s 0.770 1.880 2.753 14.044 13.122 1.070 [OK] 6767 79 C LEU C 1 C3H0s 0.770 1.610 2.581 9.039 8.825 1.024 [OK] 6768 79 C LEU O 16 O1H0u 0.660 1.420 2.550 15.260 16.208 0.942 [OK] 6769 79 C LEU CB 8 C4H2s 0.770 1.880 3.135 23.071 22.951 1.005 possible 6770 79 C LEU CG 4 C4H1b 0.770 1.880 2.526 13.186 14.764 0.893 [OK] 6771 79 C LEU CD1 10 C4H3u 0.770 1.880 3.174 33.716 37.425 0.901 possible 6772 79 C LEU CD2 10 C4H3u 0.770 1.880 2.902 35.953 37.143 0.968 [OK] 6773 80 C TYR N 12 N3H1s 0.700 1.640 2.657 13.705 13.691 1.001 [OK] 6774 80 C TYR CA 3 C4H1s 0.770 1.880 2.615 12.838 13.330 0.963 [OK] 6775 80 C TYR C 1 C3H0s 0.770 1.610 2.276 8.830 8.770 1.007 [OK] 6776 80 C TYR O 16 O1H0u 0.660 1.420 2.259 15.644 16.124 0.970 [OK] 6777 80 C TYR CB 8 C4H2s 0.770 1.880 3.614 24.876 23.678 1.051 possible 6778 80 C TYR CG 2 C3H0b 0.770 1.610 2.980 10.696 9.732 1.099 [OK] 6779 80 C TYR CD1 5 C3H1s 0.770 1.760 2.844 19.721 20.171 0.978 [OK] 6780 80 C TYR CD2 5 C3H1s 0.770 1.760 6.257 42.172 20.728 2.035 possible 6781 80 C TYR CE1 5 C3H1s 0.770 1.760 4.534 31.018 20.675 1.500 possible 6782 80 C TYR CE2 5 C3H1s 0.770 1.760 11.521 -1.000 20.810 -1.000 bad 6783 80 C TYR CZ 2 C3H0b 0.770 1.610 3.311 11.420 9.926 1.150 possible 6784 80 C TYR OH 17 O2H1u 0.660 1.460 15.903 -1.000 19.173 -1.000 bad 6785 81 C LEU N 12 N3H1s 0.700 1.640 2.639 15.714 13.655 1.151 [OK] 6786 81 C LEU CA 3 C4H1s 0.770 1.880 2.534 12.597 13.122 0.960 [OK] 6787 81 C LEU C 1 C3H0s 0.770 1.610 2.541 8.841 8.825 1.002 [OK] 6788 81 C LEU O 16 O1H0u 0.660 1.420 2.562 16.720 16.208 1.032 [OK] 6789 81 C LEU CB 8 C4H2s 0.770 1.880 2.854 20.833 22.951 0.908 [OK] 6790 81 C LEU CG 4 C4H1b 0.770 1.880 2.856 14.686 14.764 0.995 [OK] 6791 81 C LEU CD1 10 C4H3u 0.770 1.880 2.999 38.849 37.425 1.038 [OK] 6792 81 C LEU CD2 10 C4H3u 0.770 1.880 3.000 38.074 37.143 1.025 [OK] 6793 82 C GLN N 12 N3H1s 0.700 1.640 2.623 14.720 13.616 1.081 [OK] 6794 82 C GLN CA 3 C4H1s 0.770 1.880 2.541 13.044 13.334 0.978 [OK] 6795 82 C GLN C 1 C3H0s 0.770 1.610 2.586 8.824 8.787 1.004 [OK] 6796 82 C GLN O 16 O1H0u 0.660 1.420 3.057 18.551 15.993 1.160 possible 6797 82 C GLN CB 8 C4H2s 0.770 1.880 5.329 32.692 23.275 1.405 possible 6798 82 C GLN CG 8 C4H2s 0.770 1.880 23.428 -1.000 23.465 -1.000 bad 6799 82 C GLN CD 2 C3H0b 0.770 1.610 6.920 17.011 9.659 1.761 possible 6800 82 C GLN OE1 16 O1H0u 0.660 1.420 27.854 -1.000 17.091 -1.000 bad 6801 82 C GLN NE2 15 N3H2u 0.700 1.640 5.360 40.611 24.150 1.682 possible 6802 83 C MET N 12 N3H1s 0.700 1.640 2.434 12.368 13.564 0.912 [OK] 6803 83 C MET CA 3 C4H1s 0.770 1.880 2.763 12.748 13.231 0.964 [OK] 6804 83 C MET C 1 C3H0s 0.770 1.610 2.670 9.537 8.782 1.086 [OK] 6805 83 C MET O 16 O1H0u 0.660 1.420 2.607 15.472 16.277 0.951 [OK] 6806 83 C MET CB 8 C4H2s 0.770 1.880 2.680 21.493 23.645 0.909 [OK] 6807 83 C MET CG 9 C4H2b 0.770 1.880 2.893 22.947 24.009 0.956 [OK] 6808 83 C MET SD 19 S2H0u 1.040 1.770 2.963 32.320 30.093 1.074 [OK] 6809 83 C MET CE 10 C4H3u 0.770 1.880 3.004 31.773 37.161 0.855 possible 6810 84 C SER N 12 N3H1s 0.700 1.640 2.678 15.663 14.103 1.111 [OK] 6811 84 C SER CA 3 C4H1s 0.770 1.880 2.771 13.860 13.476 1.028 [OK] 6812 84 C SER C 1 C3H0s 0.770 1.610 2.330 8.558 8.923 0.959 [OK] 6813 84 C SER O 16 O1H0u 0.660 1.420 2.502 16.973 16.179 1.049 [OK] 6814 84 C SER CB 8 C4H2s 0.770 1.880 21.997 -1.000 23.884 -1.000 bad 6815 84 C SER OG 17 O2H1u 0.660 1.460 11.417 -1.000 18.732 -1.000 bad 6816 85 C SER N 12 N3H1s 0.700 1.640 4.061 19.166 14.103 1.359 possible 6817 85 C SER CA 3 C4H1s 0.770 1.880 3.419 15.027 13.476 1.115 possible 6818 85 C SER C 1 C3H0s 0.770 1.610 2.559 8.488 8.923 0.951 [OK] 6819 85 C SER O 16 O1H0u 0.660 1.420 4.726 23.258 16.179 1.438 possible 6820 85 C SER CB 8 C4H2s 0.770 1.880 23.259 -1.000 23.884 -1.000 bad 6821 85 C SER OG 17 O2H1u 0.660 1.460 30.648 -1.000 18.732 -1.000 bad 6822 86 C LEU N 12 N3H1s 0.700 1.640 2.405 13.523 13.655 0.990 [OK] 6823 86 C LEU CA 3 C4H1s 0.770 1.880 2.755 12.683 13.122 0.967 [OK] 6824 86 C LEU C 1 C3H0s 0.770 1.610 2.476 8.595 8.825 0.974 [OK] 6825 86 C LEU O 16 O1H0u 0.660 1.420 4.729 23.009 16.208 1.420 possible 6826 86 C LEU CB 8 C4H2s 0.770 1.880 2.950 23.901 22.951 1.041 [OK] 6827 86 C LEU CG 4 C4H1b 0.770 1.880 2.773 14.273 14.764 0.967 [OK] 6828 86 C LEU CD1 10 C4H3u 0.770 1.880 2.990 37.634 37.425 1.006 [OK] 6829 86 C LEU CD2 10 C4H3u 0.770 1.880 2.966 32.774 37.143 0.882 [OK] 6830 87 C LYS N 12 N3H1s 0.700 1.640 2.429 13.015 13.675 0.952 [OK] 6831 87 C LYS CA 3 C4H1s 0.770 1.880 3.440 15.593 13.324 1.170 possible 6832 87 C LYS C 1 C3H0s 0.770 1.610 2.286 8.419 8.759 0.961 [OK] 6833 87 C LYS O 16 O1H0u 0.660 1.420 2.245 13.367 16.049 0.833 [OK] 6834 87 C LYS CB 8 C4H2s 0.770 1.880 14.779 -1.000 22.904 -1.000 bad 6835 87 C LYS CG 8 C4H2s 0.770 1.880 3.179 22.269 23.131 0.963 possible 6836 87 C LYS CD 8 C4H2s 0.770 1.880 3.403 22.442 23.837 0.941 possible 6837 87 C LYS CE 9 C4H2b 0.770 1.880 33.065 -1.000 23.934 -1.000 bad 6838 87 C LYS NZ 14 N4H3u 0.700 1.640 32.957 -1.000 21.213 -1.000 bad 6839 88 C SER N 12 N3H1s 0.700 1.640 3.542 19.768 14.103 1.402 possible 6840 88 C SER CA 3 C4H1s 0.770 1.880 2.880 14.326 13.476 1.063 [OK] 6841 88 C SER C 1 C3H0s 0.770 1.610 4.307 9.063 8.923 1.016 possible 6842 88 C SER O 16 O1H0u 0.660 1.420 5.071 36.505 16.179 2.256 possible 6843 88 C SER CB 8 C4H2s 0.770 1.880 31.151 -1.000 23.884 -1.000 bad 6844 88 C SER OG 17 O2H1u 0.660 1.460 29.487 -1.000 18.732 -1.000 bad 6845 89 C GLU N 12 N3H1s 0.700 1.640 4.150 14.508 13.615 1.066 possible 6846 89 C GLU CA 3 C4H1s 0.770 1.880 5.508 33.492 13.399 2.500 possible 6847 89 C GLU C 1 C3H0s 0.770 1.610 2.670 8.781 8.675 1.012 [OK] 6848 89 C GLU O 16 O1H0u 0.660 1.420 4.328 38.024 16.023 2.373 possible 6849 89 C GLU CB 8 C4H2s 0.770 1.880 5.114 49.835 23.529 2.118 possible 6850 89 C GLU CG 8 C4H2s 0.770 1.880 37.245 -1.000 23.513 -1.000 bad 6851 89 C GLU CD 2 C3H0b 0.770 1.610 3.348 -1.000 9.460 -1.000 bad 6852 89 C GLU OE1 16 O1H0u 0.660 1.420 10.176 -1.000 15.999 -1.000 bad 6853 89 C GLU OE2 16 O1H0u 0.660 1.420 31.430 -1.000 17.432 -1.000 bad 6854 90 C ASP N 12 N3H1s 0.700 1.640 2.519 12.831 13.895 0.923 [OK] 6855 90 C ASP CA 3 C4H1s 0.770 1.880 2.794 12.981 13.377 0.970 [OK] 6856 90 C ASP C 1 C3H0s 0.770 1.610 2.617 9.408 8.816 1.067 [OK] 6857 90 C ASP O 16 O1H0u 0.660 1.420 2.617 16.734 16.091 1.040 [OK] 6858 90 C ASP CB 8 C4H2s 0.770 1.880 2.966 23.387 23.481 0.996 [OK] 6859 90 C ASP CG 2 C3H0b 0.770 1.610 2.437 9.240 9.422 0.981 [OK] 6860 90 C ASP OD1 16 O1H0u 0.660 1.420 3.043 18.787 15.505 1.212 possible 6861 90 C ASP OD2 16 O1H0u 0.660 1.420 2.264 13.996 16.324 0.857 [OK] 6862 91 C THR N 12 N3H1s 0.700 1.640 2.508 13.483 13.832 0.975 [OK] 6863 91 C THR CA 3 C4H1s 0.770 1.880 2.785 13.228 13.099 1.010 [OK] 6864 91 C THR C 1 C3H0s 0.770 1.610 2.635 8.023 8.738 0.918 [OK] 6865 91 C THR O 16 O1H0u 0.660 1.420 3.418 22.599 16.020 1.411 possible 6866 91 C THR CB 4 C4H1b 0.770 1.880 2.748 13.189 14.829 0.889 [OK] 6867 91 C THR OG1 17 O2H1u 0.660 1.460 6.462 59.693 18.123 3.294 possible 6868 91 C THR CG2 10 C4H3u 0.770 1.880 6.419 42.864 36.542 1.173 possible 6869 92 C ALA N 12 N3H1s 0.700 1.640 3.443 15.278 14.046 1.088 possible 6870 92 C ALA CA 4 C4H1b 0.770 1.880 4.113 19.815 14.063 1.409 possible 6871 92 C ALA C 1 C3H0s 0.770 1.610 3.739 10.658 8.900 1.198 possible 6872 92 C ALA O 16 O1H0u 0.660 1.420 2.601 15.319 16.188 0.946 [OK] 6873 92 C ALA CB 10 C4H3u 0.770 1.880 3.213 32.560 36.782 0.885 possible 6874 93 C MET N 12 N3H1s 0.700 1.640 4.202 17.996 13.564 1.327 possible 6875 93 C MET CA 3 C4H1s 0.770 1.880 2.842 14.129 13.231 1.068 [OK] 6876 93 C MET C 1 C3H0s 0.770 1.610 2.419 8.060 8.782 0.918 [OK] 6877 93 C MET O 16 O1H0u 0.660 1.420 2.294 15.810 16.277 0.971 [OK] 6878 93 C MET CB 8 C4H2s 0.770 1.880 5.144 44.127 23.645 1.866 possible 6879 93 C MET CG 9 C4H2b 0.770 1.880 3.498 24.041 24.009 1.001 possible 6880 93 C MET SD 19 S2H0u 1.040 1.770 3.495 30.032 30.093 0.998 possible 6881 93 C MET CE 10 C4H3u 0.770 1.880 47.054 -1.000 37.161 -1.000 bad 6882 94 C TYR N 12 N3H1s 0.700 1.640 2.405 13.622 13.691 0.995 [OK] 6883 94 C TYR CA 3 C4H1s 0.770 1.880 2.941 13.106 13.330 0.983 [OK] 6884 94 C TYR C 1 C3H0s 0.770 1.610 2.485 9.643 8.770 1.100 [OK] 6885 94 C TYR O 16 O1H0u 0.660 1.420 2.316 15.961 16.124 0.990 [OK] 6886 94 C TYR CB 8 C4H2s 0.770 1.880 3.296 24.579 23.678 1.038 possible 6887 94 C TYR CG 2 C3H0b 0.770 1.610 2.500 9.709 9.732 0.998 [OK] 6888 94 C TYR CD1 5 C3H1s 0.770 1.760 2.618 18.179 20.171 0.901 [OK] 6889 94 C TYR CD2 5 C3H1s 0.770 1.760 3.231 24.536 20.728 1.184 possible 6890 94 C TYR CE1 5 C3H1s 0.770 1.760 2.642 19.011 20.675 0.920 [OK] 6891 94 C TYR CE2 5 C3H1s 0.770 1.760 2.685 20.339 20.810 0.977 [OK] 6892 94 C TYR CZ 2 C3H0b 0.770 1.610 2.344 8.705 9.926 0.877 [OK] 6893 94 C TYR OH 17 O2H1u 0.660 1.460 2.512 16.371 19.173 0.854 [OK] 6894 95 C TYR N 12 N3H1s 0.700 1.640 3.003 14.559 13.691 1.063 possible 6895 95 C TYR CA 3 C4H1s 0.770 1.880 2.655 13.349 13.330 1.001 [OK] 6896 95 C TYR C 1 C3H0s 0.770 1.610 2.392 8.783 8.770 1.002 [OK] 6897 95 C TYR O 16 O1H0u 0.660 1.420 2.784 16.477 16.124 1.022 [OK] 6898 95 C TYR CB 8 C4H2s 0.770 1.880 2.905 24.843 23.678 1.049 [OK] 6899 95 C TYR CG 2 C3H0b 0.770 1.610 2.513 9.778 9.732 1.005 [OK] 6900 95 C TYR CD1 5 C3H1s 0.770 1.760 2.703 20.382 20.171 1.010 [OK] 6901 95 C TYR CD2 5 C3H1s 0.770 1.760 2.926 24.042 20.728 1.160 [OK] 6902 95 C TYR CE1 5 C3H1s 0.770 1.760 2.880 19.492 20.675 0.943 [OK] 6903 95 C TYR CE2 5 C3H1s 0.770 1.760 2.990 22.207 20.810 1.067 [OK] 6904 95 C TYR CZ 2 C3H0b 0.770 1.610 2.254 9.049 9.926 0.912 [OK] 6905 95 C TYR OH 17 O2H1u 0.660 1.460 3.584 28.961 19.173 1.511 possible 6906 96 C CYS N 12 N3H1s 0.700 1.640 2.510 13.750 13.981 0.984 [OK] 6907 96 C CYS CA 3 C4H1s 0.770 1.880 2.621 12.318 13.656 0.902 [OK] 6908 96 C CYS C 1 C3H0s 0.770 1.610 2.431 8.763 8.897 0.985 [OK] 6909 96 C CYS O 16 O1H0u 0.660 1.420 2.448 15.978 16.543 0.966 [OK] 6910 96 C CYS CB 9 C4H2b 0.770 1.880 2.798 23.037 23.536 0.979 [OK] 6911 96 C CYS SG 20 S2H1u 1.040 1.770 2.829 26.764 3.133 8.543 [OK] 6912 97 C VAL N 12 N3H1s 0.700 1.640 2.603 13.217 13.676 0.966 [OK] 6913 97 C VAL CA 3 C4H1s 0.770 1.880 2.521 11.454 13.123 0.873 [OK] 6914 97 C VAL C 1 C3H0s 0.770 1.610 2.760 8.917 8.563 1.041 [OK] 6915 97 C VAL O 16 O1H0u 0.660 1.420 2.577 16.308 16.181 1.008 [OK] 6916 97 C VAL CB 4 C4H1b 0.770 1.880 2.926 13.849 14.598 0.949 [OK] 6917 97 C VAL CG1 10 C4H3u 0.770 1.880 2.956 34.319 36.584 0.938 [OK] 6918 97 C VAL CG2 10 C4H3u 0.770 1.880 3.033 33.330 36.332 0.917 possible 6919 98 C ARG N 12 N3H1s 0.700 1.640 2.554 13.809 13.650 1.012 [OK] 6920 98 C ARG CA 3 C4H1s 0.770 1.880 2.659 12.691 13.422 0.946 [OK] 6921 98 C ARG C 1 C3H0s 0.770 1.610 2.732 9.517 8.838 1.077 [OK] 6922 98 C ARG O 16 O1H0u 0.660 1.420 2.458 18.106 16.084 1.126 [OK] 6923 98 C ARG CB 8 C4H2s 0.770 1.880 3.149 25.681 23.088 1.112 possible 6924 98 C ARG CG 8 C4H2s 0.770 1.880 3.079 24.456 23.640 1.035 possible 6925 98 C ARG CD 8 C4H2s 0.770 1.880 2.736 21.460 23.300 0.921 [OK] 6926 98 C ARG NE 13 N3H1b 0.700 1.640 2.909 17.807 15.569 1.144 [OK] 6927 98 C ARG CZ 2 C3H0b 0.770 1.610 2.320 8.929 9.747 0.916 [OK] 6928 98 C ARG NH1 15 N3H2u 0.700 1.640 3.611 30.340 22.782 1.332 possible 6929 98 C ARG NH2 15 N3H2u 0.700 1.640 3.486 33.318 23.810 1.399 possible 6930 99 C HIS N 12 N3H1s 0.700 1.640 2.721 15.543 13.715 1.133 [OK] 6931 99 C HIS CA 3 C4H1s 0.770 1.880 2.549 11.648 13.467 0.865 [OK] 6932 99 C HIS C 1 C3H0s 0.770 1.610 2.850 9.915 8.882 1.116 [OK] 6933 99 C HIS O 16 O1H0u 0.660 1.420 2.714 19.342 16.082 1.203 [OK] 6934 99 C HIS CB 8 C4H2s 0.770 1.880 3.182 25.476 23.653 1.077 possible 6935 99 C HIS CG 2 C3H0b 0.770 1.610 2.710 10.144 9.952 1.019 [OK] 6936 99 C HIS ND1 13 N3H1b 0.700 1.640 2.754 19.687 15.506 1.270 [OK] 6937 99 C HIS CD2 5 C3H1s 0.770 1.760 2.831 16.602 21.085 0.787 [OK] 6938 99 C HIS CE1 5 C3H1s 0.770 1.760 2.847 18.790 20.636 0.911 [OK] 6939 99 C HIS NE2 13 N3H1b 0.700 1.640 2.651 15.878 15.337 1.035 [OK] 6940 100 C GLU N 12 N3H1s 0.700 1.640 2.928 17.025 13.615 1.250 [OK] 6941 100 C GLU CA 3 C4H1s 0.770 1.880 3.733 16.537 13.399 1.234 possible 6942 100 C GLU C 1 C3H0s 0.770 1.610 2.839 8.971 8.675 1.034 [OK] 6943 100 C GLU O 16 O1H0u 0.660 1.420 2.755 15.054 16.023 0.940 [OK] 6944 100 C GLU CB 8 C4H2s 0.770 1.880 3.239 25.914 23.529 1.101 possible 6945 100 C GLU CG 8 C4H2s 0.770 1.880 3.492 24.143 23.513 1.027 possible 6946 100 C GLU CD 2 C3H0b 0.770 1.610 2.719 10.303 9.460 1.089 [OK] 6947 100 C GLU OE1 16 O1H0u 0.660 1.420 3.213 23.963 15.999 1.498 possible 6948 100 C GLU OE2 16 O1H0u 0.660 1.420 3.156 22.240 17.432 1.276 possible 6949 101 C TYR N 12 N3H1s 0.700 1.640 3.305 16.212 13.691 1.184 possible 6950 101 C TYR CA 3 C4H1s 0.770 1.880 3.231 18.749 13.330 1.407 possible 6951 101 C TYR C 1 C3H0s 0.770 1.610 2.733 8.936 8.770 1.019 [OK] 6952 101 C TYR O 16 O1H0u 0.660 1.420 2.731 14.673 16.124 0.910 [OK] 6953 101 C TYR CB 8 C4H2s 0.770 1.880 3.180 22.073 23.678 0.932 possible 6954 101 C TYR CG 2 C3H0b 0.770 1.610 2.193 8.685 9.732 0.892 [OK] 6955 101 C TYR CD1 5 C3H1s 0.770 1.760 3.073 19.092 20.171 0.947 possible 6956 101 C TYR CD2 5 C3H1s 0.770 1.760 3.158 20.967 20.728 1.012 possible 6957 101 C TYR CE1 5 C3H1s 0.770 1.760 2.761 22.589 20.675 1.093 [OK] 6958 101 C TYR CE2 5 C3H1s 0.770 1.760 3.317 23.343 20.810 1.122 possible 6959 101 C TYR CZ 2 C3H0b 0.770 1.610 2.800 10.624 9.926 1.070 [OK] 6960 101 C TYR OH 17 O2H1u 0.660 1.460 3.700 46.182 19.173 2.409 possible 6961 102 C TYR N 12 N3H1s 0.700 1.640 3.425 19.131 13.691 1.397 possible 6962 102 C TYR CA 3 C4H1s 0.770 1.880 3.973 19.337 13.330 1.451 possible 6963 102 C TYR C 1 C3H0s 0.770 1.610 3.018 9.469 8.770 1.080 possible 6964 102 C TYR O 16 O1H0u 0.660 1.420 4.231 35.132 16.124 2.179 possible 6965 102 C TYR CB 8 C4H2s 0.770 1.880 3.376 22.224 23.678 0.939 possible 6966 102 C TYR CG 2 C3H0b 0.770 1.610 2.426 9.448 9.732 0.971 [OK] 6967 102 C TYR CD1 5 C3H1s 0.770 1.760 4.398 32.536 20.171 1.613 possible 6968 102 C TYR CD2 5 C3H1s 0.770 1.760 3.173 25.373 20.728 1.224 possible 6969 102 C TYR CE1 5 C3H1s 0.770 1.760 3.914 23.844 20.675 1.153 possible 6970 102 C TYR CE2 5 C3H1s 0.770 1.760 3.200 21.637 20.810 1.040 possible 6971 102 C TYR CZ 2 C3H0b 0.770 1.610 2.607 10.326 9.926 1.040 [OK] 6972 102 C TYR OH 17 O2H1u 0.660 1.460 2.462 17.584 19.173 0.917 [OK] 6973 103 C TYR N 12 N3H1s 0.700 1.640 2.293 11.556 13.691 0.844 [OK] 6974 103 C TYR CA 3 C4H1s 0.770 1.880 2.662 12.016 13.330 0.901 [OK] 6975 103 C TYR C 1 C3H0s 0.770 1.610 2.430 8.245 8.770 0.940 [OK] 6976 103 C TYR O 16 O1H0u 0.660 1.420 2.407 15.933 16.124 0.988 [OK] 6977 103 C TYR CB 8 C4H2s 0.770 1.880 2.688 19.621 23.678 0.829 [OK] 6978 103 C TYR CG 2 C3H0b 0.770 1.610 2.551 9.729 9.732 1.000 [OK] 6979 103 C TYR CD1 5 C3H1s 0.770 1.760 2.985 21.268 20.171 1.054 [OK] 6980 103 C TYR CD2 5 C3H1s 0.770 1.760 3.474 24.601 20.728 1.187 possible 6981 103 C TYR CE1 5 C3H1s 0.770 1.760 3.531 24.562 20.675 1.188 possible 6982 103 C TYR CE2 5 C3H1s 0.770 1.760 4.748 40.430 20.810 1.943 possible 6983 103 C TYR CZ 2 C3H0b 0.770 1.610 4.444 12.977 9.926 1.307 possible 6984 103 C TYR OH 17 O2H1u 0.660 1.460 4.914 62.660 19.173 3.268 possible 6985 104 C ALA N 12 N3H1s 0.700 1.640 2.556 13.020 14.046 0.927 [OK] 6986 104 C ALA CA 4 C4H1b 0.770 1.880 2.690 14.032 14.063 0.998 [OK] 6987 104 C ALA C 1 C3H0s 0.770 1.610 2.952 9.597 8.900 1.078 [OK] 6988 104 C ALA O 16 O1H0u 0.660 1.420 2.579 13.829 16.188 0.854 [OK] 6989 104 C ALA CB 10 C4H3u 0.770 1.880 3.234 36.381 36.782 0.989 possible 6990 105 C MET N 12 N3H1s 0.700 1.640 2.747 14.171 13.564 1.045 [OK] 6991 105 C MET CA 3 C4H1s 0.770 1.880 2.666 12.271 13.231 0.927 [OK] 6992 105 C MET C 1 C3H0s 0.770 1.610 2.681 9.491 8.782 1.081 [OK] 6993 105 C MET O 16 O1H0u 0.660 1.420 2.563 15.218 16.277 0.935 [OK] 6994 105 C MET CB 8 C4H2s 0.770 1.880 2.908 22.847 23.645 0.966 [OK] 6995 105 C MET CG 9 C4H2b 0.770 1.880 2.971 21.553 24.009 0.898 [OK] 6996 105 C MET SD 19 S2H0u 1.040 1.770 2.908 30.739 30.093 1.021 [OK] 6997 105 C MET CE 10 C4H3u 0.770 1.880 2.915 31.557 37.161 0.849 [OK] 6998 106 C ASP N 12 N3H1s 0.700 1.640 2.970 17.169 13.895 1.236 [OK] 6999 106 C ASP CA 3 C4H1s 0.770 1.880 2.765 11.763 13.377 0.879 [OK] 7000 106 C ASP C 1 C3H0s 0.770 1.610 2.557 9.338 8.816 1.059 [OK] 7001 106 C ASP O 16 O1H0u 0.660 1.420 4.522 41.695 16.091 2.591 possible 7002 106 C ASP CB 8 C4H2s 0.770 1.880 4.371 38.877 23.481 1.656 possible 7003 106 C ASP CG 2 C3H0b 0.770 1.610 2.821 9.965 9.422 1.058 [OK] 7004 106 C ASP OD1 16 O1H0u 0.660 1.420 2.453 16.798 15.505 1.083 [OK] 7005 106 C ASP OD2 16 O1H0u 0.660 1.420 3.618 29.206 16.324 1.789 possible 7006 107 C TYR N 12 N3H1s 0.700 1.640 2.561 15.666 13.691 1.144 [OK] 7007 107 C TYR CA 3 C4H1s 0.770 1.880 3.508 13.822 13.330 1.037 possible 7008 107 C TYR C 1 C3H0s 0.770 1.610 2.370 9.006 8.770 1.027 [OK] 7009 107 C TYR O 16 O1H0u 0.660 1.420 2.352 17.753 16.124 1.101 [OK] 7010 107 C TYR CB 8 C4H2s 0.770 1.880 3.557 26.068 23.678 1.101 possible 7011 107 C TYR CG 2 C3H0b 0.770 1.610 2.776 9.503 9.732 0.976 [OK] 7012 107 C TYR CD1 5 C3H1s 0.770 1.760 6.312 50.773 20.171 2.517 possible 7013 107 C TYR CD2 5 C3H1s 0.770 1.760 2.813 18.976 20.728 0.915 [OK] 7014 107 C TYR CE1 5 C3H1s 0.770 1.760 25.614 -1.000 20.675 -1.000 bad 7015 107 C TYR CE2 5 C3H1s 0.770 1.760 4.017 30.716 20.810 1.476 possible 7016 107 C TYR CZ 2 C3H0b 0.770 1.610 3.704 13.014 9.926 1.311 possible 7017 107 C TYR OH 17 O2H1u 0.660 1.460 7.270 122.694 19.173 6.399 possible 7018 108 C TRP N 12 N3H1s 0.700 1.640 4.222 23.006 13.791 1.668 possible 7019 108 C TRP CA 3 C4H1s 0.770 1.880 2.876 13.259 13.377 0.991 [OK] 7020 108 C TRP C 1 C3H0s 0.770 1.610 2.499 9.070 8.724 1.040 [OK] 7021 108 C TRP O 16 O1H0u 0.660 1.420 5.286 48.299 15.951 3.028 possible 7022 108 C TRP CB 8 C4H2s 0.770 1.880 3.633 25.519 24.004 1.063 possible 7023 108 C TRP CG 2 C3H0b 0.770 1.610 2.269 8.827 9.965 0.886 [OK] 7024 108 C TRP CD1 5 C3H1s 0.770 1.760 3.483 23.726 20.874 1.137 possible 7025 108 C TRP CD2 2 C3H0b 0.770 1.610 2.166 8.791 10.097 0.871 [OK] 7026 108 C TRP NE1 13 N3H1b 0.700 1.640 2.569 16.863 16.969 0.994 [OK] 7027 108 C TRP CE2 2 C3H0b 0.770 1.610 2.371 9.539 9.889 0.965 [OK] 7028 108 C TRP CE3 6 C3H1b 0.770 1.760 2.781 18.615 20.448 0.910 [OK] 7029 108 C TRP CZ2 6 C3H1b 0.770 1.760 3.094 23.369 21.012 1.112 possible 7030 108 C TRP CZ3 6 C3H1b 0.770 1.760 2.749 21.067 21.516 0.979 [OK] 7031 108 C TRP CH2 6 C3H1b 0.770 1.760 2.759 21.762 21.339 1.020 [OK] 7032 109 C GLY N 12 N3H1s 0.700 1.640 2.668 16.930 14.854 1.140 [OK] 7033 109 C GLY CA 8 C4H2s 0.770 1.880 3.111 23.033 23.688 0.972 possible 7034 109 C GLY C 2 C3H0b 0.770 1.610 2.771 10.356 9.840 1.052 [OK] 7035 109 C GLY O 16 O1H0u 0.660 1.420 2.951 15.384 16.391 0.939 [OK] 7036 110 C GLN N 12 N3H1s 0.700 1.640 2.703 13.228 13.616 0.972 [OK] 7037 110 C GLN CA 3 C4H1s 0.770 1.880 3.687 15.125 13.334 1.134 possible 7038 110 C GLN C 1 C3H0s 0.770 1.610 2.490 8.684 8.787 0.988 [OK] 7039 110 C GLN O 16 O1H0u 0.660 1.420 6.464 45.091 15.993 2.819 possible 7040 110 C GLN CB 8 C4H2s 0.770 1.880 18.622 -1.000 23.275 -1.000 bad 7041 110 C GLN CG 8 C4H2s 0.770 1.880 35.758 -1.000 23.465 -1.000 bad 7042 110 C GLN CD 2 C3H0b 0.770 1.610 5.280 13.620 9.659 1.410 possible 7043 110 C GLN OE1 16 O1H0u 0.660 1.420 3.141 22.577 17.091 1.321 possible 7044 110 C GLN NE2 15 N3H2u 0.700 1.640 36.768 -1.000 24.150 -1.000 bad 7045 111 C GLY N 12 N3H1s 0.700 1.640 2.703 13.072 14.854 0.880 [OK] 7046 111 C GLY CA 8 C4H2s 0.770 1.880 2.750 20.723 23.688 0.875 [OK] 7047 111 C GLY C 2 C3H0b 0.770 1.610 2.367 9.066 9.840 0.921 [OK] 7048 111 C GLY O 16 O1H0u 0.660 1.420 17.324 -1.000 16.391 -1.000 bad 7049 112 C THR N 12 N3H1s 0.700 1.640 2.369 12.766 13.832 0.923 [OK] 7050 112 C THR CA 3 C4H1s 0.770 1.880 4.905 17.249 13.099 1.317 possible 7051 112 C THR C 1 C3H0s 0.770 1.610 2.334 8.638 8.738 0.989 [OK] 7052 112 C THR O 16 O1H0u 0.660 1.420 2.345 16.370 16.020 1.022 [OK] 7053 112 C THR CB 4 C4H1b 0.770 1.880 3.826 17.435 14.829 1.176 possible 7054 112 C THR OG1 17 O2H1u 0.660 1.460 8.754 -1.000 18.123 -1.000 bad 7055 112 C THR CG2 10 C4H3u 0.770 1.880 3.067 35.218 36.542 0.964 possible 7056 113 C THR N 12 N3H1s 0.700 1.640 6.035 28.966 13.832 2.094 possible 7057 113 C THR CA 3 C4H1s 0.770 1.880 2.570 12.496 13.099 0.954 [OK] 7058 113 C THR C 1 C3H0s 0.770 1.610 2.824 8.867 8.738 1.015 [OK] 7059 113 C THR O 16 O1H0u 0.660 1.420 4.635 27.717 16.020 1.730 possible 7060 113 C THR CB 4 C4H1b 0.770 1.880 15.528 -1.000 14.829 -1.000 bad 7061 113 C THR OG1 17 O2H1u 0.660 1.460 21.806 -1.000 18.123 -1.000 bad 7062 113 C THR CG2 10 C4H3u 0.770 1.880 28.880 -1.000 36.542 -1.000 bad 7063 114 C VAL N 12 N3H1s 0.700 1.640 2.589 13.209 13.676 0.966 [OK] 7064 114 C VAL CA 3 C4H1s 0.770 1.880 2.612 12.402 13.123 0.945 [OK] 7065 114 C VAL C 1 C3H0s 0.770 1.610 2.461 8.319 8.563 0.971 [OK] 7066 114 C VAL O 16 O1H0u 0.660 1.420 3.069 17.976 16.181 1.111 possible 7067 114 C VAL CB 4 C4H1b 0.770 1.880 2.804 13.626 14.598 0.933 [OK] 7068 114 C VAL CG1 10 C4H3u 0.770 1.880 3.016 42.673 36.584 1.166 possible 7069 114 C VAL CG2 10 C4H3u 0.770 1.880 2.822 35.076 36.332 0.965 [OK] 7070 115 C THR N 12 N3H1s 0.700 1.640 3.072 15.263 13.832 1.103 possible 7071 115 C THR CA 3 C4H1s 0.770 1.880 2.919 12.598 13.099 0.962 [OK] 7072 115 C THR C 1 C3H0s 0.770 1.610 2.530 8.490 8.738 0.972 [OK] 7073 115 C THR O 16 O1H0u 0.660 1.420 2.537 15.396 16.020 0.961 [OK] 7074 115 C THR CB 4 C4H1b 0.770 1.880 3.667 15.225 14.829 1.027 possible 7075 115 C THR OG1 17 O2H1u 0.660 1.460 20.927 -1.000 18.123 -1.000 bad 7076 115 C THR CG2 10 C4H3u 0.770 1.880 27.415 -1.000 36.542 -1.000 bad 7077 116 C VAL N 12 N3H1s 0.700 1.640 2.805 13.199 13.676 0.965 [OK] 7078 116 C VAL CA 3 C4H1s 0.770 1.880 2.672 11.761 13.123 0.896 [OK] 7079 116 C VAL C 1 C3H0s 0.770 1.610 2.538 9.194 8.563 1.074 [OK] 7080 116 C VAL O 16 O1H0u 0.660 1.420 5.632 38.168 16.181 2.359 possible 7081 116 C VAL CB 4 C4H1b 0.770 1.880 2.606 12.964 14.598 0.888 [OK] 7082 116 C VAL CG1 10 C4H3u 0.770 1.880 3.188 36.530 36.584 0.999 possible 7083 116 C VAL CG2 10 C4H3u 0.770 1.880 2.990 38.171 36.332 1.051 [OK] 7084 117 C SER N 12 N3H1s 0.700 1.640 2.587 14.647 14.103 1.039 [OK] 7085 117 C SER CA 3 C4H1s 0.770 1.880 6.222 24.932 13.476 1.850 possible 7086 117 C SER C 1 C3H0s 0.770 1.610 3.676 11.332 8.923 1.270 possible 7087 117 C SER O 16 O1H0u 0.660 1.420 3.097 18.428 16.179 1.139 possible 7088 117 C SER CB 8 C4H2s 0.770 1.880 24.318 -1.000 23.884 -1.000 bad 7089 117 C SER OG 17 O2H1u 0.660 1.460 22.880 -1.000 18.732 -1.000 bad 7090 118 C SER N 12 N3H1s 0.700 1.640 6.808 39.817 14.103 2.823 possible 7091 118 C SER CA 3 C4H1s 0.770 1.880 3.564 16.240 13.476 1.205 possible 7092 118 C SER C 1 C3H0s 0.770 1.610 3.913 12.668 8.923 1.420 possible 7093 118 C SER O 16 O1H0u 0.660 1.420 38.250 -1.000 16.179 -1.000 bad 7094 118 C SER CB 8 C4H2s 0.770 1.880 36.469 -1.000 23.884 -1.000 bad 7095 118 C SER OG 17 O2H1u 0.660 1.460 40.162 -1.000 18.732 -1.000 bad 7096 118 C SER OXT 16 O1H0u 0.660 1.420 22.629 -1.000 1.420 -1.000 bad 7098 1 D ASP N 12 N3H1s 0.700 1.640 17.815 -1.000 13.895 -1.000 bad 7099 1 D ASP CA 3 C4H1s 0.770 1.880 3.133 15.541 13.377 1.162 possible 7100 1 D ASP C 1 C3H0s 0.770 1.610 4.080 11.189 8.816 1.269 possible 7101 1 D ASP O 16 O1H0u 0.660 1.420 18.322 -1.000 16.091 -1.000 bad 7102 1 D ASP CB 8 C4H2s 0.770 1.880 28.474 -1.000 23.481 -1.000 bad 7103 1 D ASP CG 2 C3H0b 0.770 1.610 4.901 15.573 9.422 1.653 possible 7104 1 D ASP OD1 16 O1H0u 0.660 1.420 6.031 73.990 15.505 4.772 possible 7105 1 D ASP OD2 16 O1H0u 0.660 1.420 36.710 -1.000 16.324 -1.000 bad 7106 2 D ILE N 12 N3H1s 0.700 1.640 2.827 12.189 13.633 0.894 [OK] 7107 2 D ILE CA 3 C4H1s 0.770 1.880 4.066 20.139 13.007 1.548 possible 7108 2 D ILE C 1 C3H0s 0.770 1.610 4.145 11.414 8.470 1.348 possible 7109 2 D ILE O 16 O1H0u 0.660 1.420 5.266 34.573 16.144 2.142 possible 7110 2 D ILE CB 4 C4H1b 0.770 1.880 2.823 15.382 14.227 1.081 [OK] 7111 2 D ILE CG1 9 C4H2b 0.770 1.880 3.028 25.570 24.187 1.057 possible 7112 2 D ILE CG2 10 C4H3u 0.770 1.880 7.212 78.452 35.961 2.182 possible 7113 2 D ILE CD1 10 C4H3u 0.770 1.880 2.990 32.559 38.377 0.848 [OK] 7114 3 D GLU N 12 N3H1s 0.700 1.640 2.984 13.409 13.615 0.985 [OK] 7115 3 D GLU CA 3 C4H1s 0.770 1.880 3.019 13.256 13.399 0.989 possible 7116 3 D GLU C 1 C3H0s 0.770 1.610 2.588 9.108 8.675 1.050 [OK] 7117 3 D GLU O 16 O1H0u 0.660 1.420 3.321 19.431 16.023 1.213 possible 7118 3 D GLU CB 8 C4H2s 0.770 1.880 4.677 30.967 23.529 1.316 possible 7119 3 D GLU CG 8 C4H2s 0.770 1.880 19.562 -1.000 23.513 -1.000 bad 7120 3 D GLU CD 2 C3H0b 0.770 1.610 6.063 -1.000 9.460 -1.000 bad 7121 3 D GLU OE1 16 O1H0u 0.660 1.420 39.575 -1.000 15.999 -1.000 bad 7122 3 D GLU OE2 16 O1H0u 0.660 1.420 37.300 -1.000 17.432 -1.000 bad 7123 4 D LEU N 12 N3H1s 0.700 1.640 3.214 17.416 13.655 1.275 possible 7124 4 D LEU CA 3 C4H1s 0.770 1.880 2.650 11.459 13.122 0.873 [OK] 7125 4 D LEU C 1 C3H0s 0.770 1.610 2.724 9.557 8.825 1.083 [OK] 7126 4 D LEU O 16 O1H0u 0.660 1.420 5.348 47.374 16.208 2.923 possible 7127 4 D LEU CB 8 C4H2s 0.770 1.880 3.018 22.550 22.951 0.983 possible 7128 4 D LEU CG 4 C4H1b 0.770 1.880 2.814 16.042 14.764 1.087 [OK] 7129 4 D LEU CD1 10 C4H3u 0.770 1.880 2.908 33.235 37.425 0.888 [OK] 7130 4 D LEU CD2 10 C4H3u 0.770 1.880 3.222 37.986 37.143 1.023 possible 7131 5 D THR N 12 N3H1s 0.700 1.640 2.717 14.348 13.832 1.037 [OK] 7132 5 D THR CA 3 C4H1s 0.770 1.880 4.690 16.212 13.099 1.238 possible 7133 5 D THR C 1 C3H0s 0.770 1.610 2.491 8.737 8.738 1.000 [OK] 7134 5 D THR O 16 O1H0u 0.660 1.420 2.709 16.652 16.020 1.039 [OK] 7135 5 D THR CB 4 C4H1b 0.770 1.880 2.974 15.076 14.829 1.017 [OK] 7136 5 D THR OG1 17 O2H1u 0.660 1.460 7.295 60.815 18.123 3.356 possible 7137 5 D THR CG2 10 C4H3u 0.770 1.880 47.131 -1.000 36.542 -1.000 bad 7138 6 D GLN N 12 N3H1s 0.700 1.640 4.234 22.407 13.616 1.646 possible 7139 6 D GLN CA 3 C4H1s 0.770 1.880 2.651 12.339 13.334 0.925 [OK] 7140 6 D GLN C 1 C3H0s 0.770 1.610 2.761 9.111 8.787 1.037 [OK] 7141 6 D GLN O 16 O1H0u 0.660 1.420 4.523 39.312 15.993 2.458 possible 7142 6 D GLN CB 8 C4H2s 0.770 1.880 3.392 26.293 23.275 1.130 possible 7143 6 D GLN CG 8 C4H2s 0.770 1.880 2.764 22.553 23.465 0.961 [OK] 7144 6 D GLN CD 2 C3H0b 0.770 1.610 2.400 9.042 9.659 0.936 [OK] 7145 6 D GLN OE1 16 O1H0u 0.660 1.420 2.393 14.321 17.091 0.838 [OK] 7146 6 D GLN NE2 15 N3H2u 0.700 1.640 2.600 20.372 24.150 0.844 [OK] 7147 7 D THR N 12 N3H1s 0.700 1.640 2.704 13.529 13.832 0.978 [OK] 7148 7 D THR CA 3 C4H1s 0.770 1.880 3.537 14.307 13.099 1.092 possible 7149 7 D THR C 1 C3H0s 0.770 1.610 2.512 9.144 8.738 1.046 [OK] 7150 7 D THR O 16 O1H0u 0.660 1.420 3.025 16.848 16.020 1.052 possible 7151 7 D THR CB 4 C4H1b 0.770 1.880 15.384 -1.000 14.829 -1.000 bad 7152 7 D THR OG1 17 O2H1u 0.660 1.460 24.073 -1.000 18.123 -1.000 bad 7153 7 D THR CG2 10 C4H3u 0.770 1.880 6.813 58.212 36.542 1.593 possible 7154 8 D PRO N 11 N3H0u 0.700 1.640 2.724 9.087 8.823 1.030 [OK] 7155 8 D PRO CA 4 C4H1b 0.770 1.880 6.724 24.629 13.955 1.765 possible 7156 8 D PRO C 1 C3H0s 0.770 1.610 2.929 9.355 8.812 1.062 [OK] 7157 8 D PRO O 16 O1H0u 0.660 1.420 2.735 17.304 16.169 1.070 [OK] 7158 8 D PRO CB 9 C4H2b 0.770 1.880 28.244 -1.000 25.563 -1.000 bad 7159 8 D PRO CG 9 C4H2b 0.770 1.880 7.624 37.687 25.832 1.459 possible 7160 8 D PRO CD 8 C4H2s 0.770 1.880 9.498 -1.000 23.836 -1.000 bad 7161 9 D VAL N 12 N3H1s 0.700 1.640 5.982 28.134 13.676 2.057 possible 7162 9 D VAL CA 3 C4H1s 0.770 1.880 3.351 16.574 13.123 1.263 possible 7163 9 D VAL C 1 C3H0s 0.770 1.610 2.482 8.558 8.563 0.999 [OK] 7164 9 D VAL O 16 O1H0u 0.660 1.420 3.255 21.578 16.181 1.334 possible 7165 9 D VAL CB 4 C4H1b 0.770 1.880 9.778 -1.000 14.598 -1.000 bad 7166 9 D VAL CG1 10 C4H3u 0.770 1.880 48.576 -1.000 36.584 -1.000 bad 7167 9 D VAL CG2 10 C4H3u 0.770 1.880 52.220 -1.000 36.332 -1.000 bad 7168 10 D SER N 12 N3H1s 0.700 1.640 5.034 18.808 14.103 1.334 possible 7169 10 D SER CA 3 C4H1s 0.770 1.880 2.925 13.741 13.476 1.020 [OK] 7170 10 D SER C 1 C3H0s 0.770 1.610 3.822 10.344 8.923 1.159 possible 7171 10 D SER O 16 O1H0u 0.660 1.420 14.594 -1.000 16.179 -1.000 bad 7172 10 D SER CB 8 C4H2s 0.770 1.880 32.989 -1.000 23.884 -1.000 bad 7173 10 D SER OG 17 O2H1u 0.660 1.460 13.083 -1.000 18.732 -1.000 bad 7174 11 D LEU N 12 N3H1s 0.700 1.640 3.888 16.403 13.655 1.201 possible 7175 11 D LEU CA 3 C4H1s 0.770 1.880 4.278 16.837 13.122 1.283 possible 7176 11 D LEU C 1 C3H0s 0.770 1.610 3.454 10.564 8.825 1.197 possible 7177 11 D LEU O 16 O1H0u 0.660 1.420 2.932 19.538 16.208 1.205 [OK] 7178 11 D LEU CB 8 C4H2s 0.770 1.880 3.377 25.903 22.951 1.129 possible 7179 11 D LEU CG 4 C4H1b 0.770 1.880 3.033 15.791 14.764 1.070 possible 7180 11 D LEU CD1 10 C4H3u 0.770 1.880 40.281 -1.000 37.425 -1.000 bad 7181 11 D LEU CD2 10 C4H3u 0.770 1.880 4.861 55.289 37.143 1.489 possible 7182 12 D SER N 12 N3H1s 0.700 1.640 7.756 34.492 14.103 2.446 possible 7183 12 D SER CA 3 C4H1s 0.770 1.880 2.838 12.465 13.476 0.925 [OK] 7184 12 D SER C 1 C3H0s 0.770 1.610 2.589 9.363 8.923 1.049 [OK] 7185 12 D SER O 16 O1H0u 0.660 1.420 15.860 -1.000 16.179 -1.000 bad 7186 12 D SER CB 8 C4H2s 0.770 1.880 25.065 -1.000 23.884 -1.000 bad 7187 12 D SER OG 17 O2H1u 0.660 1.460 5.287 36.171 18.732 1.931 possible 7188 13 D ALA N 12 N3H1s 0.700 1.640 2.684 15.732 14.046 1.120 [OK] 7189 13 D ALA CA 4 C4H1b 0.770 1.880 3.289 15.128 14.063 1.076 possible 7190 13 D ALA C 1 C3H0s 0.770 1.610 2.536 9.596 8.900 1.078 [OK] 7191 13 D ALA O 16 O1H0u 0.660 1.420 2.413 15.271 16.188 0.943 [OK] 7192 13 D ALA CB 10 C4H3u 0.770 1.880 3.765 40.868 36.782 1.111 possible 7193 14 D SER N 12 N3H1s 0.700 1.640 2.639 14.167 14.103 1.005 [OK] 7194 14 D SER CA 3 C4H1s 0.770 1.880 2.756 13.997 13.476 1.039 [OK] 7195 14 D SER C 1 C3H0s 0.770 1.610 2.450 9.363 8.923 1.049 [OK] 7196 14 D SER O 16 O1H0u 0.660 1.420 2.624 17.132 16.179 1.059 [OK] 7197 14 D SER CB 8 C4H2s 0.770 1.880 24.284 -1.000 23.884 -1.000 bad 7198 14 D SER OG 17 O2H1u 0.660 1.460 18.860 -1.000 18.732 -1.000 bad 7199 15 D VAL N 12 N3H1s 0.700 1.640 3.958 18.893 13.676 1.381 possible 7200 15 D VAL CA 3 C4H1s 0.770 1.880 3.058 14.724 13.123 1.122 possible 7201 15 D VAL C 1 C3H0s 0.770 1.610 2.838 8.277 8.563 0.967 [OK] 7202 15 D VAL O 16 O1H0u 0.660 1.420 23.394 -1.000 16.181 -1.000 bad 7203 15 D VAL CB 4 C4H1b 0.770 1.880 9.920 -1.000 14.598 -1.000 bad 7204 15 D VAL CG1 10 C4H3u 0.770 1.880 28.291 -1.000 36.584 -1.000 bad 7205 15 D VAL CG2 10 C4H3u 0.770 1.880 19.288 -1.000 36.332 -1.000 bad 7206 16 D GLY N 12 N3H1s 0.700 1.640 2.976 14.345 14.854 0.966 [OK] 7207 16 D GLY CA 8 C4H2s 0.770 1.880 22.279 -1.000 23.688 -1.000 bad 7208 16 D GLY C 2 C3H0b 0.770 1.610 5.269 13.834 9.840 1.406 possible 7209 16 D GLY O 16 O1H0u 0.660 1.420 17.464 -1.000 16.391 -1.000 bad 7210 17 D GLU N 12 N3H1s 0.700 1.640 3.348 15.569 13.615 1.143 possible 7211 17 D GLU CA 3 C4H1s 0.770 1.880 7.002 -1.000 13.399 -1.000 bad 7212 17 D GLU C 1 C3H0s 0.770 1.610 2.712 9.861 8.675 1.137 [OK] 7213 17 D GLU O 16 O1H0u 0.660 1.420 2.416 15.827 16.023 0.988 [OK] 7214 17 D GLU CB 8 C4H2s 0.770 1.880 4.677 27.753 23.529 1.180 possible 7215 17 D GLU CG 8 C4H2s 0.770 1.880 23.266 -1.000 23.513 -1.000 bad 7216 17 D GLU CD 2 C3H0b 0.770 1.610 3.395 -1.000 9.460 -1.000 bad 7217 17 D GLU OE1 16 O1H0u 0.660 1.420 26.242 -1.000 15.999 -1.000 bad 7218 17 D GLU OE2 16 O1H0u 0.660 1.420 14.983 -1.000 17.432 -1.000 bad 7219 18 D THR N 12 N3H1s 0.700 1.640 5.923 -1.000 13.832 -1.000 bad 7220 18 D THR CA 3 C4H1s 0.770 1.880 2.478 11.484 13.099 0.877 [OK] 7221 18 D THR C 1 C3H0s 0.770 1.610 2.723 8.523 8.738 0.975 [OK] 7222 18 D THR O 16 O1H0u 0.660 1.420 25.006 -1.000 16.020 -1.000 bad 7223 18 D THR CB 4 C4H1b 0.770 1.880 15.201 -1.000 14.829 -1.000 bad 7224 18 D THR OG1 17 O2H1u 0.660 1.460 9.620 -1.000 18.123 -1.000 bad 7225 18 D THR CG2 10 C4H3u 0.770 1.880 13.521 -1.000 36.542 -1.000 bad 7226 19 D VAL N 12 N3H1s 0.700 1.640 2.631 14.593 13.676 1.067 [OK] 7227 19 D VAL CA 3 C4H1s 0.770 1.880 5.082 19.761 13.123 1.506 possible 7228 19 D VAL C 1 C3H0s 0.770 1.610 2.816 8.774 8.563 1.025 [OK] 7229 19 D VAL O 16 O1H0u 0.660 1.420 2.469 15.798 16.181 0.976 [OK] 7230 19 D VAL CB 4 C4H1b 0.770 1.880 3.694 14.769 14.598 1.012 possible 7231 19 D VAL CG1 10 C4H3u 0.770 1.880 4.678 43.704 36.584 1.195 possible 7232 19 D VAL CG2 10 C4H3u 0.770 1.880 3.060 39.267 36.332 1.081 possible 7233 20 D THR N 12 N3H1s 0.700 1.640 6.492 29.388 13.832 2.125 possible 7234 20 D THR CA 3 C4H1s 0.770 1.880 2.787 12.541 13.099 0.957 [OK] 7235 20 D THR C 1 C3H0s 0.770 1.610 2.703 9.041 8.738 1.035 [OK] 7236 20 D THR O 16 O1H0u 0.660 1.420 10.255 -1.000 16.020 -1.000 bad 7237 20 D THR CB 4 C4H1b 0.770 1.880 14.265 -1.000 14.829 -1.000 bad 7238 20 D THR OG1 17 O2H1u 0.660 1.460 15.167 -1.000 18.123 -1.000 bad 7239 20 D THR CG2 10 C4H3u 0.770 1.880 22.309 -1.000 36.542 -1.000 bad 7240 21 D ILE N 12 N3H1s 0.700 1.640 2.739 14.331 13.633 1.051 [OK] 7241 21 D ILE CA 3 C4H1s 0.770 1.880 3.022 14.746 13.007 1.134 possible 7242 21 D ILE C 1 C3H0s 0.770 1.610 2.415 8.418 8.470 0.994 [OK] 7243 21 D ILE O 16 O1H0u 0.660 1.420 2.339 15.739 16.144 0.975 [OK] 7244 21 D ILE CB 4 C4H1b 0.770 1.880 2.813 14.360 14.227 1.009 [OK] 7245 21 D ILE CG1 9 C4H2b 0.770 1.880 3.327 30.979 24.187 1.281 possible 7246 21 D ILE CG2 10 C4H3u 0.770 1.880 3.057 34.465 35.961 0.958 possible 7247 21 D ILE CD1 10 C4H3u 0.770 1.880 3.272 44.223 38.377 1.152 possible 7248 22 D THR N 12 N3H1s 0.700 1.640 2.516 12.385 13.832 0.895 [OK] 7249 22 D THR CA 3 C4H1s 0.770 1.880 2.649 12.524 13.099 0.956 [OK] 7250 22 D THR C 1 C3H0s 0.770 1.610 2.437 8.699 8.738 0.995 [OK] 7251 22 D THR O 16 O1H0u 0.660 1.420 2.433 15.301 16.020 0.955 [OK] 7252 22 D THR CB 4 C4H1b 0.770 1.880 3.888 19.237 14.829 1.297 possible 7253 22 D THR OG1 17 O2H1u 0.660 1.460 4.618 29.529 18.123 1.629 possible 7254 22 D THR CG2 10 C4H3u 0.770 1.880 29.702 -1.000 36.542 -1.000 bad 7255 23 D CYS N 12 N3H1s 0.700 1.640 2.533 14.209 13.981 1.016 [OK] 7256 23 D CYS CA 3 C4H1s 0.770 1.880 2.780 13.698 13.656 1.003 [OK] 7257 23 D CYS C 1 C3H0s 0.770 1.610 2.864 9.672 8.897 1.087 [OK] 7258 23 D CYS O 16 O1H0u 0.660 1.420 2.734 18.425 16.543 1.114 [OK] 7259 23 D CYS CB 9 C4H2b 0.770 1.880 2.852 22.662 23.536 0.963 [OK] 7260 23 D CYS SG 20 S2H1u 1.040 1.770 3.061 29.035 3.133 9.268 possible 7261 24 D ARG N 12 N3H1s 0.700 1.640 2.767 14.979 13.650 1.097 [OK] 7262 24 D ARG CA 3 C4H1s 0.770 1.880 2.796 12.743 13.422 0.949 [OK] 7263 24 D ARG C 1 C3H0s 0.770 1.610 2.924 9.667 8.838 1.094 [OK] 7264 24 D ARG O 16 O1H0u 0.660 1.420 3.057 17.252 16.084 1.073 possible 7265 24 D ARG CB 8 C4H2s 0.770 1.880 2.936 19.680 23.088 0.852 [OK] 7266 24 D ARG CG 8 C4H2s 0.770 1.880 3.178 28.811 23.640 1.219 possible 7267 24 D ARG CD 8 C4H2s 0.770 1.880 20.611 -1.000 23.300 -1.000 bad 7268 24 D ARG NE 13 N3H1b 0.700 1.640 6.786 -1.000 15.569 -1.000 bad 7269 24 D ARG CZ 2 C3H0b 0.770 1.610 2.502 -1.000 9.747 -1.000 bad 7270 24 D ARG NH1 15 N3H2u 0.700 1.640 27.336 -1.000 22.782 -1.000 bad 7271 24 D ARG NH2 15 N3H2u 0.700 1.640 27.131 -1.000 23.810 -1.000 bad 7272 25 D ALA N 12 N3H1s 0.700 1.640 2.907 15.831 14.046 1.127 [OK] 7273 25 D ALA CA 4 C4H1b 0.770 1.880 2.770 12.223 14.063 0.869 [OK] 7274 25 D ALA C 1 C3H0s 0.770 1.610 3.123 9.768 8.900 1.098 possible 7275 25 D ALA O 16 O1H0u 0.660 1.420 3.189 21.233 16.188 1.312 possible 7276 25 D ALA CB 10 C4H3u 0.770 1.880 3.024 36.062 36.782 0.980 possible 7277 26 D SER N 12 N3H1s 0.700 1.640 3.541 15.727 14.103 1.115 possible 7278 26 D SER CA 3 C4H1s 0.770 1.880 7.591 36.565 13.476 2.713 possible 7279 26 D SER C 1 C3H0s 0.770 1.610 2.421 7.849 8.923 0.880 [OK] 7280 26 D SER O 16 O1H0u 0.660 1.420 29.902 -1.000 16.179 -1.000 bad 7281 26 D SER CB 8 C4H2s 0.770 1.880 17.258 -1.000 23.884 -1.000 bad 7282 26 D SER OG 17 O2H1u 0.660 1.460 10.341 -1.000 18.732 -1.000 bad 7283 27 D GLU N 12 N3H1s 0.700 1.640 2.729 14.152 13.615 1.039 [OK] 7284 27 D GLU CA 3 C4H1s 0.770 1.880 7.337 23.859 13.399 1.781 possible 7285 27 D GLU C 1 C3H0s 0.770 1.610 2.816 9.655 8.675 1.113 [OK] 7286 27 D GLU O 16 O1H0u 0.660 1.420 2.479 16.216 16.023 1.012 [OK] 7287 27 D GLU CB 8 C4H2s 0.770 1.880 20.283 -1.000 23.529 -1.000 bad 7288 27 D GLU CG 8 C4H2s 0.770 1.880 3.635 26.989 23.513 1.148 possible 7289 27 D GLU CD 2 C3H0b 0.770 1.610 4.338 10.486 9.460 1.108 possible 7290 27 D GLU OE1 16 O1H0u 0.660 1.420 44.562 -1.000 15.999 -1.000 bad 7291 27 D GLU OE2 16 O1H0u 0.660 1.420 28.308 -1.000 17.432 -1.000 bad 7292 28 D ASN N 12 N3H1s 0.700 1.640 4.802 -1.000 13.695 -1.000 bad 7293 28 D ASN CA 3 C4H1s 0.770 1.880 3.113 13.186 13.167 1.001 possible 7294 28 D ASN C 1 C3H0s 0.770 1.610 2.360 8.213 8.928 0.920 [OK] 7295 28 D ASN O 16 O1H0u 0.660 1.420 6.491 67.589 16.199 4.172 possible 7296 28 D ASN CB 8 C4H2s 0.770 1.880 31.778 -1.000 23.128 -1.000 bad 7297 28 D ASN CG 2 C3H0b 0.770 1.610 3.517 11.188 9.599 1.166 possible 7298 28 D ASN OD1 16 O1H0u 0.660 1.420 6.154 46.971 16.664 2.819 possible 7299 28 D ASN ND2 15 N3H2u 0.700 1.640 6.238 51.246 23.083 2.220 possible 7300 29 D ILE N 12 N3H1s 0.700 1.640 2.388 11.495 13.633 0.843 [OK] 7301 29 D ILE CA 3 C4H1s 0.770 1.880 4.536 20.632 13.007 1.586 possible 7302 29 D ILE C 1 C3H0s 0.770 1.610 2.930 9.348 8.470 1.104 [OK] 7303 29 D ILE O 16 O1H0u 0.660 1.420 3.464 18.248 16.144 1.130 possible 7304 29 D ILE CB 4 C4H1b 0.770 1.880 2.831 13.886 14.227 0.976 [OK] 7305 29 D ILE CG1 9 C4H2b 0.770 1.880 2.920 21.563 24.187 0.892 [OK] 7306 29 D ILE CG2 10 C4H3u 0.770 1.880 3.864 39.408 35.961 1.096 possible 7307 29 D ILE CD1 10 C4H3u 0.770 1.880 2.990 37.748 38.377 0.984 [OK] 7308 30 D TYR N 12 N3H1s 0.700 1.640 2.490 13.765 13.691 1.005 [OK] 7309 30 D TYR CA 3 C4H1s 0.770 1.880 3.639 17.250 13.330 1.294 possible 7310 30 D TYR C 1 C3H0s 0.770 1.610 3.271 11.330 8.770 1.292 possible 7311 30 D TYR O 16 O1H0u 0.660 1.420 2.769 16.309 16.124 1.011 [OK] 7312 30 D TYR CB 8 C4H2s 0.770 1.880 3.209 22.433 23.678 0.947 possible 7313 30 D TYR CG 2 C3H0b 0.770 1.610 2.424 9.161 9.732 0.941 [OK] 7314 30 D TYR CD1 5 C3H1s 0.770 1.760 5.139 36.481 20.171 1.809 possible 7315 30 D TYR CD2 5 C3H1s 0.770 1.760 4.627 31.134 20.728 1.502 possible 7316 30 D TYR CE1 5 C3H1s 0.770 1.760 3.714 24.730 20.675 1.196 possible 7317 30 D TYR CE2 5 C3H1s 0.770 1.760 5.805 56.072 20.810 2.694 possible 7318 30 D TYR CZ 2 C3H0b 0.770 1.610 2.746 9.681 9.926 0.975 [OK] 7319 30 D TYR OH 17 O2H1u 0.660 1.460 5.348 43.583 19.173 2.273 possible 7320 31 D SER N 12 N3H1s 0.700 1.640 2.809 14.038 14.103 0.995 [OK] 7321 31 D SER CA 3 C4H1s 0.770 1.880 3.082 13.902 13.476 1.032 possible 7322 31 D SER C 1 C3H0s 0.770 1.610 2.634 9.889 8.923 1.108 [OK] 7323 31 D SER O 16 O1H0u 0.660 1.420 2.333 13.886 16.179 0.858 [OK] 7324 31 D SER CB 8 C4H2s 0.770 1.880 4.962 45.250 23.884 1.895 possible 7325 31 D SER OG 17 O2H1u 0.660 1.460 3.138 21.825 18.732 1.165 possible 7326 32 D TYR N 12 N3H1s 0.700 1.640 2.697 15.016 13.691 1.097 [OK] 7327 32 D TYR CA 3 C4H1s 0.770 1.880 2.723 12.510 13.330 0.938 [OK] 7328 32 D TYR C 1 C3H0s 0.770 1.610 2.664 9.980 8.770 1.138 [OK] 7329 32 D TYR O 16 O1H0u 0.660 1.420 2.366 16.334 16.124 1.013 [OK] 7330 32 D TYR CB 8 C4H2s 0.770 1.880 2.852 23.243 23.678 0.982 [OK] 7331 32 D TYR CG 2 C3H0b 0.770 1.610 2.605 8.379 9.732 0.861 [OK] 7332 32 D TYR CD1 5 C3H1s 0.770 1.760 3.025 22.319 20.171 1.106 possible 7333 32 D TYR CD2 5 C3H1s 0.770 1.760 3.941 23.802 20.728 1.148 possible 7334 32 D TYR CE1 5 C3H1s 0.770 1.760 2.885 21.121 20.675 1.022 [OK] 7335 32 D TYR CE2 5 C3H1s 0.770 1.760 3.593 27.527 20.810 1.323 possible 7336 32 D TYR CZ 2 C3H0b 0.770 1.610 2.724 10.960 9.926 1.104 [OK] 7337 32 D TYR OH 17 O2H1u 0.660 1.460 2.709 18.816 19.173 0.981 [OK] 7338 33 D LEU N 12 N3H1s 0.700 1.640 2.669 13.420 13.655 0.983 [OK] 7339 33 D LEU CA 3 C4H1s 0.770 1.880 2.589 12.278 13.122 0.936 [OK] 7340 33 D LEU C 1 C3H0s 0.770 1.610 2.487 8.375 8.825 0.949 [OK] 7341 33 D LEU O 16 O1H0u 0.660 1.420 2.547 17.115 16.208 1.056 [OK] 7342 33 D LEU CB 8 C4H2s 0.770 1.880 2.879 23.083 22.951 1.006 [OK] 7343 33 D LEU CG 4 C4H1b 0.770 1.880 2.738 13.818 14.764 0.936 [OK] 7344 33 D LEU CD1 10 C4H3u 0.770 1.880 3.043 36.183 37.425 0.967 possible 7345 33 D LEU CD2 10 C4H3u 0.770 1.880 3.260 33.114 37.143 0.892 possible 7346 34 D ALA N 12 N3H1s 0.700 1.640 2.411 12.735 14.046 0.907 [OK] 7347 34 D ALA CA 4 C4H1b 0.770 1.880 2.682 12.200 14.063 0.868 [OK] 7348 34 D ALA C 1 C3H0s 0.770 1.610 2.483 9.212 8.900 1.035 [OK] 7349 34 D ALA O 16 O1H0u 0.660 1.420 2.310 16.103 16.188 0.995 [OK] 7350 34 D ALA CB 10 C4H3u 0.770 1.880 2.938 36.157 36.782 0.983 [OK] 7351 35 D TRP N 12 N3H1s 0.700 1.640 2.537 13.718 13.791 0.995 [OK] 7352 35 D TRP CA 3 C4H1s 0.770 1.880 2.555 12.317 13.377 0.921 [OK] 7353 35 D TRP C 1 C3H0s 0.770 1.610 2.194 8.263 8.724 0.947 [OK] 7354 35 D TRP O 16 O1H0u 0.660 1.420 2.408 16.290 15.951 1.021 [OK] 7355 35 D TRP CB 8 C4H2s 0.770 1.880 3.168 24.644 24.004 1.027 possible 7356 35 D TRP CG 2 C3H0b 0.770 1.610 2.472 9.686 9.965 0.972 [OK] 7357 35 D TRP CD1 5 C3H1s 0.770 1.760 2.840 23.827 20.874 1.141 [OK] 7358 35 D TRP CD2 2 C3H0b 0.770 1.610 2.519 9.673 10.097 0.958 [OK] 7359 35 D TRP NE1 13 N3H1b 0.700 1.640 3.013 22.922 16.969 1.351 possible 7360 35 D TRP CE2 2 C3H0b 0.770 1.610 2.514 9.314 9.889 0.942 [OK] 7361 35 D TRP CE3 6 C3H1b 0.770 1.760 3.095 21.151 20.448 1.034 possible 7362 35 D TRP CZ2 6 C3H1b 0.770 1.760 2.618 20.271 21.012 0.965 [OK] 7363 35 D TRP CZ3 6 C3H1b 0.770 1.760 2.776 21.057 21.516 0.979 [OK] 7364 35 D TRP CH2 6 C3H1b 0.770 1.760 2.674 20.696 21.339 0.970 [OK] 7365 36 D TYR N 12 N3H1s 0.700 1.640 2.802 13.555 13.691 0.990 [OK] 7366 36 D TYR CA 3 C4H1s 0.770 1.880 2.455 12.026 13.330 0.902 [OK] 7367 36 D TYR C 1 C3H0s 0.770 1.610 3.022 9.173 8.770 1.046 possible 7368 36 D TYR O 16 O1H0u 0.660 1.420 2.729 17.988 16.124 1.116 [OK] 7369 36 D TYR CB 8 C4H2s 0.770 1.880 3.273 28.700 23.678 1.212 possible 7370 36 D TYR CG 2 C3H0b 0.770 1.610 2.906 10.612 9.732 1.090 [OK] 7371 36 D TYR CD1 5 C3H1s 0.770 1.760 3.004 23.336 20.171 1.157 possible 7372 36 D TYR CD2 5 C3H1s 0.770 1.760 2.699 19.871 20.728 0.959 [OK] 7373 36 D TYR CE1 5 C3H1s 0.770 1.760 2.825 20.272 20.675 0.981 [OK] 7374 36 D TYR CE2 5 C3H1s 0.770 1.760 2.629 17.893 20.810 0.860 [OK] 7375 36 D TYR CZ 2 C3H0b 0.770 1.610 2.698 11.331 9.926 1.142 [OK] 7376 36 D TYR OH 17 O2H1u 0.660 1.460 2.554 17.734 19.173 0.925 [OK] 7377 37 D GLN N 12 N3H1s 0.700 1.640 2.716 13.892 13.616 1.020 [OK] 7378 37 D GLN CA 3 C4H1s 0.770 1.880 2.644 12.912 13.334 0.968 [OK] 7379 37 D GLN C 1 C3H0s 0.770 1.610 3.011 9.667 8.787 1.100 possible 7380 37 D GLN O 16 O1H0u 0.660 1.420 2.623 16.756 15.993 1.048 [OK] 7381 37 D GLN CB 8 C4H2s 0.770 1.880 2.898 20.899 23.275 0.898 [OK] 7382 37 D GLN CG 8 C4H2s 0.770 1.880 3.261 28.422 23.465 1.211 possible 7383 37 D GLN CD 2 C3H0b 0.770 1.610 2.627 10.319 9.659 1.068 [OK] 7384 37 D GLN OE1 16 O1H0u 0.660 1.420 3.288 22.878 17.091 1.339 possible 7385 37 D GLN NE2 15 N3H2u 0.700 1.640 4.121 39.534 24.150 1.637 possible 7386 38 D GLN N 12 N3H1s 0.700 1.640 2.852 14.449 13.616 1.061 [OK] 7387 38 D GLN CA 3 C4H1s 0.770 1.880 2.580 11.684 13.334 0.876 [OK] 7388 38 D GLN C 1 C3H0s 0.770 1.610 2.869 8.628 8.787 0.982 [OK] 7389 38 D GLN O 16 O1H0u 0.660 1.420 3.405 21.458 15.993 1.342 possible 7390 38 D GLN CB 8 C4H2s 0.770 1.880 3.271 25.675 23.275 1.103 possible 7391 38 D GLN CG 8 C4H2s 0.770 1.880 3.251 22.559 23.465 0.961 possible 7392 38 D GLN CD 2 C3H0b 0.770 1.610 3.418 12.362 9.659 1.280 possible 7393 38 D GLN OE1 16 O1H0u 0.660 1.420 3.445 26.332 17.091 1.541 possible 7394 38 D GLN NE2 15 N3H2u 0.700 1.640 3.570 27.744 24.150 1.149 possible 7395 39 D LYS N 12 N3H1s 0.700 1.640 2.977 14.524 13.675 1.062 [OK] 7396 39 D LYS CA 3 C4H1s 0.770 1.880 3.024 14.982 13.324 1.124 possible 7397 39 D LYS C 1 C3H0s 0.770 1.610 2.693 8.993 8.759 1.027 [OK] 7398 39 D LYS O 16 O1H0u 0.660 1.420 3.265 17.427 16.049 1.086 possible 7399 39 D LYS CB 8 C4H2s 0.770 1.880 6.035 41.297 22.904 1.803 possible 7400 39 D LYS CG 8 C4H2s 0.770 1.880 3.269 27.392 23.131 1.184 possible 7401 39 D LYS CD 8 C4H2s 0.770 1.880 17.209 -1.000 23.837 -1.000 bad 7402 39 D LYS CE 9 C4H2b 0.770 1.880 23.704 -1.000 23.934 -1.000 bad 7403 39 D LYS NZ 14 N4H3u 0.700 1.640 4.929 42.972 21.213 2.026 possible 7404 40 D GLN N 12 N3H1s 0.700 1.640 5.392 30.259 13.616 2.222 possible 7405 40 D GLN CA 3 C4H1s 0.770 1.880 3.507 15.010 13.334 1.126 possible 7406 40 D GLN C 1 C3H0s 0.770 1.610 2.834 8.178 8.787 0.931 [OK] 7407 40 D GLN O 16 O1H0u 0.660 1.420 16.310 -1.000 15.993 -1.000 bad 7408 40 D GLN CB 8 C4H2s 0.770 1.880 30.815 -1.000 23.275 -1.000 bad 7409 40 D GLN CG 8 C4H2s 0.770 1.880 34.714 -1.000 23.465 -1.000 bad 7410 40 D GLN CD 2 C3H0b 0.770 1.610 2.278 -1.000 9.659 -1.000 bad 7411 40 D GLN OE1 16 O1H0u 0.660 1.420 7.151 73.693 17.091 4.312 possible 7412 40 D GLN NE2 15 N3H2u 0.700 1.640 42.185 -1.000 24.150 -1.000 bad 7413 41 D GLY N 12 N3H1s 0.700 1.640 3.649 22.400 14.854 1.508 possible 7414 41 D GLY CA 8 C4H2s 0.770 1.880 35.370 -1.000 23.688 -1.000 bad 7415 41 D GLY C 2 C3H0b 0.770 1.610 3.560 12.000 9.840 1.220 possible 7416 41 D GLY O 16 O1H0u 0.660 1.420 29.178 -1.000 16.391 -1.000 bad 7417 42 D LYS N 12 N3H1s 0.700 1.640 3.500 16.135 13.675 1.180 possible 7418 42 D LYS CA 3 C4H1s 0.770 1.880 3.927 15.869 13.324 1.191 possible 7419 42 D LYS C 1 C3H0s 0.770 1.610 3.455 11.392 8.759 1.301 possible 7420 42 D LYS O 16 O1H0u 0.660 1.420 3.214 18.261 16.049 1.138 possible 7421 42 D LYS CB 8 C4H2s 0.770 1.880 3.179 22.641 22.904 0.989 possible 7422 42 D LYS CG 8 C4H2s 0.770 1.880 5.017 28.596 23.131 1.236 possible 7423 42 D LYS CD 8 C4H2s 0.770 1.880 21.188 -1.000 23.837 -1.000 bad 7424 42 D LYS CE 9 C4H2b 0.770 1.880 34.742 -1.000 23.934 -1.000 bad 7425 42 D LYS NZ 14 N4H3u 0.700 1.640 44.664 -1.000 21.213 -1.000 bad 7426 43 D SER N 12 N3H1s 0.700 1.640 3.609 21.167 14.103 1.501 possible 7427 43 D SER CA 3 C4H1s 0.770 1.880 2.646 12.407 13.476 0.921 [OK] 7428 43 D SER C 1 C3H0s 0.770 1.610 2.368 8.581 8.923 0.962 [OK] 7429 43 D SER O 16 O1H0u 0.660 1.420 3.856 22.037 16.179 1.362 possible 7430 43 D SER CB 8 C4H2s 0.770 1.880 5.552 40.844 23.884 1.710 possible 7431 43 D SER OG 17 O2H1u 0.660 1.460 4.307 32.284 18.732 1.723 possible 7432 44 D PRO N 11 N3H0u 0.700 1.640 2.265 8.601 8.823 0.975 [OK] 7433 44 D PRO CA 4 C4H1b 0.770 1.880 2.525 13.268 13.955 0.951 [OK] 7434 44 D PRO C 1 C3H0s 0.770 1.610 2.519 8.993 8.812 1.021 [OK] 7435 44 D PRO O 16 O1H0u 0.660 1.420 3.941 23.016 16.169 1.423 possible 7436 44 D PRO CB 9 C4H2b 0.770 1.880 3.280 29.602 25.563 1.158 possible 7437 44 D PRO CG 9 C4H2b 0.770 1.880 3.145 29.240 25.832 1.132 possible 7438 44 D PRO CD 8 C4H2s 0.770 1.880 2.818 23.014 23.836 0.965 [OK] 7439 45 D GLN N 12 N3H1s 0.700 1.640 2.482 13.660 13.616 1.003 [OK] 7440 45 D GLN CA 3 C4H1s 0.770 1.880 4.332 18.383 13.334 1.379 possible 7441 45 D GLN C 1 C3H0s 0.770 1.610 2.618 9.416 8.787 1.072 [OK] 7442 45 D GLN O 16 O1H0u 0.660 1.420 2.450 15.852 15.993 0.991 [OK] 7443 45 D GLN CB 8 C4H2s 0.770 1.880 4.955 36.192 23.275 1.555 possible 7444 45 D GLN CG 8 C4H2s 0.770 1.880 6.982 71.394 23.465 3.043 possible 7445 45 D GLN CD 2 C3H0b 0.770 1.610 5.673 16.349 9.659 1.693 possible 7446 45 D GLN OE1 16 O1H0u 0.660 1.420 39.081 -1.000 17.091 -1.000 bad 7447 45 D GLN NE2 15 N3H2u 0.700 1.640 5.214 39.163 24.150 1.622 possible 7448 46 D PHE N 12 N3H1s 0.700 1.640 4.185 23.392 13.691 1.709 possible 7449 46 D PHE CA 3 C4H1s 0.770 1.880 2.607 12.585 13.449 0.936 [OK] 7450 46 D PHE C 1 C3H0s 0.770 1.610 2.555 8.693 8.753 0.993 [OK] 7451 46 D PHE O 16 O1H0u 0.660 1.420 4.479 35.750 16.151 2.213 possible 7452 46 D PHE CB 8 C4H2s 0.770 1.880 3.878 23.327 23.777 0.981 possible 7453 46 D PHE CG 2 C3H0b 0.770 1.610 2.653 9.167 9.721 0.943 [OK] 7454 46 D PHE CD1 5 C3H1s 0.770 1.760 2.911 22.012 20.405 1.079 [OK] 7455 46 D PHE CD2 6 C3H1b 0.770 1.760 4.211 30.066 21.051 1.428 possible 7456 46 D PHE CE1 6 C3H1b 0.770 1.760 3.054 19.809 21.580 0.918 possible 7457 46 D PHE CE2 6 C3H1b 0.770 1.760 3.545 23.694 21.680 1.093 possible 7458 46 D PHE CZ 6 C3H1b 0.770 1.760 3.020 18.249 21.666 0.842 possible 7459 47 D LEU N 12 N3H1s 0.700 1.640 2.392 13.830 13.655 1.013 [OK] 7460 47 D LEU CA 3 C4H1s 0.770 1.880 2.442 11.836 13.122 0.902 [OK] 7461 47 D LEU C 1 C3H0s 0.770 1.610 2.414 8.869 8.825 1.005 [OK] 7462 47 D LEU O 16 O1H0u 0.660 1.420 2.448 15.679 16.208 0.967 [OK] 7463 47 D LEU CB 8 C4H2s 0.770 1.880 3.079 22.352 22.951 0.974 possible 7464 47 D LEU CG 4 C4H1b 0.770 1.880 2.833 14.268 14.764 0.966 [OK] 7465 47 D LEU CD1 10 C4H3u 0.770 1.880 3.104 33.363 37.425 0.891 possible 7466 47 D LEU CD2 10 C4H3u 0.770 1.880 4.082 50.074 37.143 1.348 possible 7467 48 D VAL N 12 N3H1s 0.700 1.640 2.456 14.414 13.676 1.054 [OK] 7468 48 D VAL CA 3 C4H1s 0.770 1.880 2.842 13.200 13.123 1.006 [OK] 7469 48 D VAL C 1 C3H0s 0.770 1.610 2.217 7.662 8.563 0.895 [OK] 7470 48 D VAL O 16 O1H0u 0.660 1.420 2.437 14.291 16.181 0.883 [OK] 7471 48 D VAL CB 4 C4H1b 0.770 1.880 3.014 14.772 14.598 1.012 possible 7472 48 D VAL CG1 10 C4H3u 0.770 1.880 3.080 37.535 36.584 1.026 possible 7473 48 D VAL CG2 10 C4H3u 0.770 1.880 2.949 35.258 36.332 0.970 [OK] 7474 49 D TYR N 12 N3H1s 0.700 1.640 2.624 11.908 13.691 0.870 [OK] 7475 49 D TYR CA 3 C4H1s 0.770 1.880 2.568 13.166 13.330 0.988 [OK] 7476 49 D TYR C 1 C3H0s 0.770 1.610 2.381 8.366 8.770 0.954 [OK] 7477 49 D TYR O 16 O1H0u 0.660 1.420 2.261 14.131 16.124 0.876 [OK] 7478 49 D TYR CB 8 C4H2s 0.770 1.880 2.834 22.154 23.678 0.936 [OK] 7479 49 D TYR CG 2 C3H0b 0.770 1.610 2.382 9.257 9.732 0.951 [OK] 7480 49 D TYR CD1 5 C3H1s 0.770 1.760 2.756 18.353 20.171 0.910 [OK] 7481 49 D TYR CD2 5 C3H1s 0.770 1.760 3.066 19.711 20.728 0.951 possible 7482 49 D TYR CE1 5 C3H1s 0.770 1.760 3.164 22.283 20.675 1.078 possible 7483 49 D TYR CE2 5 C3H1s 0.770 1.760 2.881 19.278 20.810 0.926 [OK] 7484 49 D TYR CZ 2 C3H0b 0.770 1.610 2.445 9.167 9.926 0.924 [OK] 7485 49 D TYR OH 17 O2H1u 0.660 1.460 2.775 18.606 19.173 0.970 [OK] 7486 50 D ASN N 12 N3H1s 0.700 1.640 2.391 11.998 13.695 0.876 [OK] 7487 50 D ASN CA 3 C4H1s 0.770 1.880 2.774 13.446 13.167 1.021 [OK] 7488 50 D ASN C 1 C3H0s 0.770 1.610 2.244 7.972 8.928 0.893 [OK] 7489 50 D ASN O 16 O1H0u 0.660 1.420 2.603 15.999 16.199 0.988 [OK] 7490 50 D ASN CB 8 C4H2s 0.770 1.880 3.150 24.275 23.128 1.050 possible 7491 50 D ASN CG 2 C3H0b 0.770 1.610 2.487 9.891 9.599 1.030 [OK] 7492 50 D ASN OD1 16 O1H0u 0.660 1.420 2.762 20.860 16.664 1.252 [OK] 7493 50 D ASN ND2 15 N3H2u 0.700 1.640 3.020 28.552 23.083 1.237 possible 7494 51 D ALA N 12 N3H1s 0.700 1.640 2.363 12.540 14.046 0.893 [OK] 7495 51 D ALA CA 4 C4H1b 0.770 1.880 3.123 15.985 14.063 1.137 possible 7496 51 D ALA C 1 C3H0s 0.770 1.610 2.658 9.082 8.900 1.020 [OK] 7497 51 D ALA O 16 O1H0u 0.660 1.420 2.662 20.084 16.188 1.241 [OK] 7498 51 D ALA CB 10 C4H3u 0.770 1.880 3.550 39.333 36.782 1.069 possible 7499 52 D LYS N 12 N3H1s 0.700 1.640 2.353 12.279 13.675 0.898 [OK] 7500 52 D LYS CA 3 C4H1s 0.770 1.880 2.817 12.855 13.324 0.965 [OK] 7501 52 D LYS C 1 C3H0s 0.770 1.610 2.625 9.608 8.759 1.097 [OK] 7502 52 D LYS O 16 O1H0u 0.660 1.420 10.652 -1.000 16.049 -1.000 bad 7503 52 D LYS CB 8 C4H2s 0.770 1.880 7.586 -1.000 22.904 -1.000 bad 7504 52 D LYS CG 8 C4H2s 0.770 1.880 14.684 -1.000 23.131 -1.000 bad 7505 52 D LYS CD 8 C4H2s 0.770 1.880 12.573 -1.000 23.837 -1.000 bad 7506 52 D LYS CE 9 C4H2b 0.770 1.880 26.364 -1.000 23.934 -1.000 bad 7507 52 D LYS NZ 14 N4H3u 0.700 1.640 7.874 86.650 21.213 4.085 possible 7508 53 D THR N 12 N3H1s 0.700 1.640 2.476 13.492 13.832 0.975 [OK] 7509 53 D THR CA 3 C4H1s 0.770 1.880 4.152 14.234 13.099 1.087 possible 7510 53 D THR C 1 C3H0s 0.770 1.610 2.552 8.421 8.738 0.964 [OK] 7511 53 D THR O 16 O1H0u 0.660 1.420 2.389 14.043 16.020 0.877 [OK] 7512 53 D THR CB 4 C4H1b 0.770 1.880 2.657 13.762 14.829 0.928 [OK] 7513 53 D THR OG1 17 O2H1u 0.660 1.460 4.715 27.566 18.123 1.521 possible 7514 53 D THR CG2 10 C4H3u 0.770 1.880 5.963 68.685 36.542 1.880 possible 7515 54 D LEU N 12 N3H1s 0.700 1.640 5.963 25.697 13.655 1.882 possible 7516 54 D LEU CA 3 C4H1s 0.770 1.880 2.552 12.215 13.122 0.931 [OK] 7517 54 D LEU C 1 C3H0s 0.770 1.610 2.465 8.354 8.825 0.947 [OK] 7518 54 D LEU O 16 O1H0u 0.660 1.420 9.862 -1.000 16.208 -1.000 bad 7519 54 D LEU CB 8 C4H2s 0.770 1.880 9.892 -1.000 22.951 -1.000 bad 7520 54 D LEU CG 4 C4H1b 0.770 1.880 6.029 25.415 14.764 1.721 possible 7521 54 D LEU CD1 10 C4H3u 0.770 1.880 27.134 -1.000 37.425 -1.000 bad 7522 54 D LEU CD2 10 C4H3u 0.770 1.880 3.072 37.474 37.143 1.009 possible 7523 55 D GLY N 12 N3H1s 0.700 1.640 2.650 14.822 14.854 0.998 [OK] 7524 55 D GLY CA 8 C4H2s 0.770 1.880 3.458 30.286 23.688 1.279 possible 7525 55 D GLY C 2 C3H0b 0.770 1.610 3.372 10.798 9.840 1.097 possible 7526 55 D GLY O 16 O1H0u 0.660 1.420 7.851 38.886 16.391 2.372 possible 7527 56 D GLU N 12 N3H1s 0.700 1.640 3.906 30.892 13.615 2.269 possible 7528 56 D GLU CA 3 C4H1s 0.770 1.880 5.562 22.929 13.399 1.711 possible 7529 56 D GLU C 1 C3H0s 0.770 1.610 3.738 9.371 8.675 1.080 possible 7530 56 D GLU O 16 O1H0u 0.660 1.420 6.297 75.247 16.023 4.696 possible 7531 56 D GLU CB 8 C4H2s 0.770 1.880 4.377 48.545 23.529 2.063 possible 7532 56 D GLU CG 8 C4H2s 0.770 1.880 30.779 -1.000 23.513 -1.000 bad 7533 56 D GLU CD 2 C3H0b 0.770 1.610 4.446 -1.000 9.460 -1.000 bad 7534 56 D GLU OE1 16 O1H0u 0.660 1.420 5.496 50.193 15.999 3.137 possible 7535 56 D GLU OE2 16 O1H0u 0.660 1.420 43.787 -1.000 17.432 -1.000 bad 7536 57 D GLY N 12 N3H1s 0.700 1.640 10.049 -1.000 14.854 -1.000 bad 7537 57 D GLY CA 8 C4H2s 0.770 1.880 41.180 -1.000 23.688 -1.000 bad 7538 57 D GLY C 2 C3H0b 0.770 1.610 5.151 16.521 9.840 1.679 possible 7539 57 D GLY O 16 O1H0u 0.660 1.420 23.347 -1.000 16.391 -1.000 bad 7540 58 D VAL N 12 N3H1s 0.700 1.640 4.439 17.441 13.676 1.275 possible 7541 58 D VAL CA 3 C4H1s 0.770 1.880 4.533 15.847 13.123 1.208 possible 7542 58 D VAL C 1 C3H0s 0.770 1.610 2.503 8.241 8.563 0.962 [OK] 7543 58 D VAL O 16 O1H0u 0.660 1.420 7.437 67.290 16.181 4.159 possible 7544 58 D VAL CB 4 C4H1b 0.770 1.880 2.725 14.889 14.598 1.020 [OK] 7545 58 D VAL CG1 10 C4H3u 0.770 1.880 3.524 38.493 36.584 1.052 possible 7546 58 D VAL CG2 10 C4H3u 0.770 1.880 4.623 47.845 36.332 1.317 possible 7547 59 D PRO N 11 N3H0u 0.700 1.640 2.812 9.020 8.823 1.022 [OK] 7548 59 D PRO CA 4 C4H1b 0.770 1.880 9.345 -1.000 13.955 -1.000 bad 7549 59 D PRO C 1 C3H0s 0.770 1.610 2.639 9.538 8.812 1.082 [OK] 7550 59 D PRO O 16 O1H0u 0.660 1.420 2.365 18.116 16.169 1.120 [OK] 7551 59 D PRO CB 9 C4H2b 0.770 1.880 18.870 -1.000 25.563 -1.000 bad 7552 59 D PRO CG 9 C4H2b 0.770 1.880 5.479 38.199 25.832 1.479 possible 7553 59 D PRO CD 8 C4H2s 0.770 1.880 6.073 66.158 23.836 2.776 possible 7554 60 D SER N 12 N3H1s 0.700 1.640 5.956 32.431 14.103 2.300 possible 7555 60 D SER CA 3 C4H1s 0.770 1.880 3.806 16.216 13.476 1.203 possible 7556 60 D SER C 1 C3H0s 0.770 1.610 3.757 9.572 8.923 1.073 possible 7557 60 D SER O 16 O1H0u 0.660 1.420 19.549 -1.000 16.179 -1.000 bad 7558 60 D SER CB 8 C4H2s 0.770 1.880 42.356 -1.000 23.884 -1.000 bad 7559 60 D SER OG 17 O2H1u 0.660 1.460 41.277 -1.000 18.732 -1.000 bad 7560 61 D ARG N 12 N3H1s 0.700 1.640 4.177 19.821 13.650 1.452 possible 7561 61 D ARG CA 3 C4H1s 0.770 1.880 3.881 18.564 13.422 1.383 possible 7562 61 D ARG C 1 C3H0s 0.770 1.610 2.475 8.557 8.838 0.968 [OK] 7563 61 D ARG O 16 O1H0u 0.660 1.420 3.455 21.343 16.084 1.327 possible 7564 61 D ARG CB 8 C4H2s 0.770 1.880 2.845 23.528 23.088 1.019 [OK] 7565 61 D ARG CG 8 C4H2s 0.770 1.880 17.642 -1.000 23.640 -1.000 bad 7566 61 D ARG CD 8 C4H2s 0.770 1.880 4.764 28.903 23.300 1.240 possible 7567 61 D ARG NE 13 N3H1b 0.700 1.640 2.632 16.046 15.569 1.031 [OK] 7568 61 D ARG CZ 2 C3H0b 0.770 1.610 2.544 9.765 9.747 1.002 [OK] 7569 61 D ARG NH1 15 N3H2u 0.700 1.640 18.735 -1.000 22.782 -1.000 bad 7570 61 D ARG NH2 15 N3H2u 0.700 1.640 4.149 35.209 23.810 1.479 possible 7571 62 D PHE N 12 N3H1s 0.700 1.640 2.556 13.405 13.691 0.979 [OK] 7572 62 D PHE CA 3 C4H1s 0.770 1.880 2.832 14.111 13.449 1.049 [OK] 7573 62 D PHE C 1 C3H0s 0.770 1.610 2.751 9.408 8.753 1.075 [OK] 7574 62 D PHE O 16 O1H0u 0.660 1.420 5.489 29.223 16.151 1.809 possible 7575 62 D PHE CB 8 C4H2s 0.770 1.880 3.024 26.992 23.777 1.135 possible 7576 62 D PHE CG 2 C3H0b 0.770 1.610 2.721 10.623 9.721 1.093 [OK] 7577 62 D PHE CD1 5 C3H1s 0.770 1.760 2.682 19.823 20.405 0.971 [OK] 7578 62 D PHE CD2 6 C3H1b 0.770 1.760 2.929 22.538 21.051 1.071 [OK] 7579 62 D PHE CE1 6 C3H1b 0.770 1.760 3.777 26.402 21.580 1.223 possible 7580 62 D PHE CE2 6 C3H1b 0.770 1.760 2.688 19.822 21.680 0.914 [OK] 7581 62 D PHE CZ 6 C3H1b 0.770 1.760 3.479 25.997 21.666 1.200 possible 7582 63 D SER N 12 N3H1s 0.700 1.640 2.764 14.778 14.103 1.048 [OK] 7583 63 D SER CA 3 C4H1s 0.770 1.880 4.030 15.849 13.476 1.176 possible 7584 63 D SER C 1 C3H0s 0.770 1.610 2.546 8.558 8.923 0.959 [OK] 7585 63 D SER O 16 O1H0u 0.660 1.420 3.031 18.597 16.179 1.149 possible 7586 63 D SER CB 8 C4H2s 0.770 1.880 6.740 54.241 23.884 2.271 possible 7587 63 D SER OG 17 O2H1u 0.660 1.460 23.669 -1.000 18.732 -1.000 bad 7588 64 D GLY N 12 N3H1s 0.700 1.640 2.765 16.661 14.854 1.122 [OK] 7589 64 D GLY CA 8 C4H2s 0.770 1.880 2.869 25.974 23.688 1.097 [OK] 7590 64 D GLY C 2 C3H0b 0.770 1.610 2.268 8.880 9.840 0.902 [OK] 7591 64 D GLY O 16 O1H0u 0.660 1.420 6.970 -1.000 16.391 -1.000 bad 7592 65 D SER N 12 N3H1s 0.700 1.640 2.721 14.220 14.103 1.008 [OK] 7593 65 D SER CA 3 C4H1s 0.770 1.880 3.931 18.257 13.476 1.355 possible 7594 65 D SER C 1 C3H0s 0.770 1.610 2.781 10.732 8.923 1.203 [OK] 7595 65 D SER O 16 O1H0u 0.660 1.420 2.669 18.878 16.179 1.167 [OK] 7596 65 D SER CB 8 C4H2s 0.770 1.880 4.593 41.796 23.884 1.750 possible 7597 65 D SER OG 17 O2H1u 0.660 1.460 31.562 -1.000 18.732 -1.000 bad 7598 66 D GLY N 12 N3H1s 0.700 1.640 5.416 28.894 14.854 1.945 possible 7599 66 D GLY CA 8 C4H2s 0.770 1.880 13.790 -1.000 23.688 -1.000 bad 7600 66 D GLY C 2 C3H0b 0.770 1.610 4.497 12.088 9.840 1.228 possible 7601 66 D GLY O 16 O1H0u 0.660 1.420 6.087 36.887 16.391 2.250 possible 7602 67 D SER N 12 N3H1s 0.700 1.640 7.005 23.206 14.103 1.645 possible 7603 67 D SER CA 3 C4H1s 0.770 1.880 3.013 13.057 13.476 0.969 possible 7604 67 D SER C 1 C3H0s 0.770 1.610 3.106 9.315 8.923 1.044 possible 7605 67 D SER O 16 O1H0u 0.660 1.420 13.298 -1.000 16.179 -1.000 bad 7606 67 D SER CB 8 C4H2s 0.770 1.880 36.496 -1.000 23.884 -1.000 bad 7607 67 D SER OG 17 O2H1u 0.660 1.460 29.771 -1.000 18.732 -1.000 bad 7608 68 D GLY N 12 N3H1s 0.700 1.640 3.135 14.099 14.854 0.949 possible 7609 68 D GLY CA 8 C4H2s 0.770 1.880 6.569 39.657 23.688 1.674 possible 7610 68 D GLY C 2 C3H0b 0.770 1.610 3.578 10.717 9.840 1.089 possible 7611 68 D GLY O 16 O1H0u 0.660 1.420 2.350 15.083 16.391 0.920 [OK] 7612 69 D THR N 12 N3H1s 0.700 1.640 5.126 17.927 13.832 1.296 possible 7613 69 D THR CA 3 C4H1s 0.770 1.880 2.625 13.042 13.099 0.996 [OK] 7614 69 D THR C 1 C3H0s 0.770 1.610 2.376 8.078 8.738 0.925 [OK] 7615 69 D THR O 16 O1H0u 0.660 1.420 2.392 17.861 16.020 1.115 [OK] 7616 69 D THR CB 4 C4H1b 0.770 1.880 10.448 -1.000 14.829 -1.000 bad 7617 69 D THR OG1 17 O2H1u 0.660 1.460 6.550 -1.000 18.123 -1.000 bad 7618 69 D THR CG2 10 C4H3u 0.770 1.880 31.117 -1.000 36.542 -1.000 bad 7619 70 D GLN N 12 N3H1s 0.700 1.640 3.490 15.947 13.616 1.171 possible 7620 70 D GLN CA 3 C4H1s 0.770 1.880 2.872 13.656 13.334 1.024 [OK] 7621 70 D GLN C 1 C3H0s 0.770 1.610 2.958 9.697 8.787 1.104 [OK] 7622 70 D GLN O 16 O1H0u 0.660 1.420 7.710 41.137 15.993 2.572 possible 7623 70 D GLN CB 8 C4H2s 0.770 1.880 18.408 -1.000 23.275 -1.000 bad 7624 70 D GLN CG 8 C4H2s 0.770 1.880 18.251 -1.000 23.465 -1.000 bad 7625 70 D GLN CD 2 C3H0b 0.770 1.610 2.125 -1.000 9.659 -1.000 bad 7626 70 D GLN OE1 16 O1H0u 0.660 1.420 22.623 -1.000 17.091 -1.000 bad 7627 70 D GLN NE2 15 N3H2u 0.700 1.640 27.199 -1.000 24.150 -1.000 bad 7628 71 D PHE N 12 N3H1s 0.700 1.640 2.764 13.453 13.691 0.983 [OK] 7629 71 D PHE CA 3 C4H1s 0.770 1.880 2.882 12.256 13.449 0.911 [OK] 7630 71 D PHE C 1 C3H0s 0.770 1.610 3.305 10.670 8.753 1.219 possible 7631 71 D PHE O 16 O1H0u 0.660 1.420 3.033 18.909 16.151 1.171 possible 7632 71 D PHE CB 8 C4H2s 0.770 1.880 2.926 22.058 23.777 0.928 [OK] 7633 71 D PHE CG 2 C3H0b 0.770 1.610 2.541 8.981 9.721 0.924 [OK] 7634 71 D PHE CD1 5 C3H1s 0.770 1.760 3.050 23.396 20.405 1.147 possible 7635 71 D PHE CD2 6 C3H1b 0.770 1.760 2.994 19.756 21.051 0.939 [OK] 7636 71 D PHE CE1 6 C3H1b 0.770 1.760 2.816 20.200 21.580 0.936 [OK] 7637 71 D PHE CE2 6 C3H1b 0.770 1.760 2.815 20.090 21.680 0.927 [OK] 7638 71 D PHE CZ 6 C3H1b 0.770 1.760 2.894 19.679 21.666 0.908 [OK] 7639 72 D SER N 12 N3H1s 0.700 1.640 2.672 15.091 14.103 1.070 [OK] 7640 72 D SER CA 3 C4H1s 0.770 1.880 2.672 12.659 13.476 0.939 [OK] 7641 72 D SER C 1 C3H0s 0.770 1.610 2.954 9.613 8.923 1.077 [OK] 7642 72 D SER O 16 O1H0u 0.660 1.420 2.982 18.871 16.179 1.166 [OK] 7643 72 D SER CB 8 C4H2s 0.770 1.880 4.692 31.375 23.884 1.314 possible 7644 72 D SER OG 17 O2H1u 0.660 1.460 18.935 -1.000 18.732 -1.000 bad 7645 73 D LEU N 12 N3H1s 0.700 1.640 2.693 14.362 13.655 1.052 [OK] 7646 73 D LEU CA 3 C4H1s 0.770 1.880 2.842 13.105 13.122 0.999 [OK] 7647 73 D LEU C 1 C3H0s 0.770 1.610 2.580 8.863 8.825 1.004 [OK] 7648 73 D LEU O 16 O1H0u 0.660 1.420 2.485 18.939 16.208 1.169 [OK] 7649 73 D LEU CB 8 C4H2s 0.770 1.880 2.820 21.534 22.951 0.938 [OK] 7650 73 D LEU CG 4 C4H1b 0.770 1.880 2.945 16.173 14.764 1.095 [OK] 7651 73 D LEU CD1 10 C4H3u 0.770 1.880 3.066 39.687 37.425 1.060 possible 7652 73 D LEU CD2 10 C4H3u 0.770 1.880 3.149 38.467 37.143 1.036 possible 7653 74 D LYS N 12 N3H1s 0.700 1.640 3.328 16.647 13.675 1.217 possible 7654 74 D LYS CA 3 C4H1s 0.770 1.880 2.494 12.641 13.324 0.949 [OK] 7655 74 D LYS C 1 C3H0s 0.770 1.610 2.678 9.103 8.759 1.039 [OK] 7656 74 D LYS O 16 O1H0u 0.660 1.420 2.638 17.817 16.049 1.110 [OK] 7657 74 D LYS CB 8 C4H2s 0.770 1.880 4.572 34.558 22.904 1.509 possible 7658 74 D LYS CG 8 C4H2s 0.770 1.880 2.950 22.537 23.131 0.974 [OK] 7659 74 D LYS CD 8 C4H2s 0.770 1.880 27.441 -1.000 23.837 -1.000 bad 7660 74 D LYS CE 9 C4H2b 0.770 1.880 27.021 -1.000 23.934 -1.000 bad 7661 74 D LYS NZ 14 N4H3u 0.700 1.640 12.338 -1.000 21.213 -1.000 bad 7662 75 D ILE N 12 N3H1s 0.700 1.640 2.650 14.048 13.633 1.030 [OK] 7663 75 D ILE CA 3 C4H1s 0.770 1.880 2.716 12.557 13.007 0.965 [OK] 7664 75 D ILE C 1 C3H0s 0.770 1.610 2.387 8.465 8.470 0.999 [OK] 7665 75 D ILE O 16 O1H0u 0.660 1.420 2.385 17.035 16.144 1.055 [OK] 7666 75 D ILE CB 4 C4H1b 0.770 1.880 2.803 13.654 14.227 0.960 [OK] 7667 75 D ILE CG1 9 C4H2b 0.770 1.880 3.009 26.517 24.187 1.096 possible 7668 75 D ILE CG2 10 C4H3u 0.770 1.880 2.944 39.190 35.961 1.090 [OK] 7669 75 D ILE CD1 10 C4H3u 0.770 1.880 2.944 38.615 38.377 1.006 [OK] 7670 76 D ASN N 12 N3H1s 0.700 1.640 2.822 15.334 13.695 1.120 [OK] 7671 76 D ASN CA 3 C4H1s 0.770 1.880 2.601 12.791 13.167 0.971 [OK] 7672 76 D ASN C 1 C3H0s 0.770 1.610 2.503 8.832 8.928 0.989 [OK] 7673 76 D ASN O 16 O1H0u 0.660 1.420 3.251 18.647 16.199 1.151 possible 7674 76 D ASN CB 8 C4H2s 0.770 1.880 5.351 32.316 23.128 1.397 possible 7675 76 D ASN CG 2 C3H0b 0.770 1.610 6.022 14.908 9.599 1.553 possible 7676 76 D ASN OD1 16 O1H0u 0.660 1.420 24.151 -1.000 16.664 -1.000 bad 7677 76 D ASN ND2 15 N3H2u 0.700 1.640 41.498 -1.000 23.083 -1.000 bad 7678 77 D SER N 12 N3H1s 0.700 1.640 2.702 16.126 14.103 1.143 [OK] 7679 77 D SER CA 3 C4H1s 0.770 1.880 2.697 12.427 13.476 0.922 [OK] 7680 77 D SER C 1 C3H0s 0.770 1.610 2.712 9.047 8.923 1.014 [OK] 7681 77 D SER O 16 O1H0u 0.660 1.420 3.895 20.302 16.179 1.255 possible 7682 77 D SER CB 8 C4H2s 0.770 1.880 23.980 -1.000 23.884 -1.000 bad 7683 77 D SER OG 17 O2H1u 0.660 1.460 27.540 -1.000 18.732 -1.000 bad 7684 78 D LEU N 12 N3H1s 0.700 1.640 2.589 14.397 13.655 1.054 [OK] 7685 78 D LEU CA 3 C4H1s 0.770 1.880 2.901 13.434 13.122 1.024 [OK] 7686 78 D LEU C 1 C3H0s 0.770 1.610 2.766 8.599 8.825 0.974 [OK] 7687 78 D LEU O 16 O1H0u 0.660 1.420 4.444 20.680 16.208 1.276 possible 7688 78 D LEU CB 8 C4H2s 0.770 1.880 3.019 23.806 22.951 1.037 possible 7689 78 D LEU CG 4 C4H1b 0.770 1.880 2.938 15.569 14.764 1.055 [OK] 7690 78 D LEU CD1 10 C4H3u 0.770 1.880 2.882 37.070 37.425 0.991 [OK] 7691 78 D LEU CD2 10 C4H3u 0.770 1.880 3.099 32.984 37.143 0.888 possible 7692 79 D LEU N 12 N3H1s 0.700 1.640 2.752 13.595 13.655 0.996 [OK] 7693 79 D LEU CA 3 C4H1s 0.770 1.880 2.884 12.061 13.122 0.919 [OK] 7694 79 D LEU C 1 C3H0s 0.770 1.610 2.649 9.486 8.825 1.075 [OK] 7695 79 D LEU O 16 O1H0u 0.660 1.420 2.608 16.494 16.208 1.018 [OK] 7696 79 D LEU CB 8 C4H2s 0.770 1.880 2.729 22.553 22.951 0.983 [OK] 7697 79 D LEU CG 4 C4H1b 0.770 1.880 5.621 -1.000 14.764 -1.000 bad 7698 79 D LEU CD1 10 C4H3u 0.770 1.880 26.300 -1.000 37.425 -1.000 bad 7699 79 D LEU CD2 10 C4H3u 0.770 1.880 30.370 -1.000 37.143 -1.000 bad 7700 80 D PRO N 11 N3H0u 0.700 1.640 2.505 8.533 8.823 0.967 [OK] 7701 80 D PRO CA 4 C4H1b 0.770 1.880 3.117 15.898 13.955 1.139 possible 7702 80 D PRO C 1 C3H0s 0.770 1.610 4.480 9.932 8.812 1.127 possible 7703 80 D PRO O 16 O1H0u 0.660 1.420 14.721 -1.000 16.169 -1.000 bad 7704 80 D PRO CB 9 C4H2b 0.770 1.880 30.911 -1.000 25.563 -1.000 bad 7705 80 D PRO CG 9 C4H2b 0.770 1.880 33.505 -1.000 25.832 -1.000 bad 7706 80 D PRO CD 8 C4H2s 0.770 1.880 8.831 -1.000 23.836 -1.000 bad 7707 81 D GLU N 12 N3H1s 0.700 1.640 4.319 16.031 13.615 1.177 possible 7708 81 D GLU CA 3 C4H1s 0.770 1.880 7.350 27.941 13.399 2.085 possible 7709 81 D GLU C 1 C3H0s 0.770 1.610 2.693 8.837 8.675 1.019 [OK] 7710 81 D GLU O 16 O1H0u 0.660 1.420 3.757 20.509 16.023 1.280 possible 7711 81 D GLU CB 8 C4H2s 0.770 1.880 18.265 -1.000 23.529 -1.000 bad 7712 81 D GLU CG 8 C4H2s 0.770 1.880 3.693 26.740 23.513 1.137 possible 7713 81 D GLU CD 2 C3H0b 0.770 1.610 4.900 11.192 9.460 1.183 possible 7714 81 D GLU OE1 16 O1H0u 0.660 1.420 14.122 -1.000 15.999 -1.000 bad 7715 81 D GLU OE2 16 O1H0u 0.660 1.420 38.369 -1.000 17.432 -1.000 bad 7716 82 D ASP N 12 N3H1s 0.700 1.640 2.556 13.041 13.895 0.939 [OK] 7717 82 D ASP CA 3 C4H1s 0.770 1.880 2.812 12.947 13.377 0.968 [OK] 7718 82 D ASP C 1 C3H0s 0.770 1.610 2.807 10.037 8.816 1.139 [OK] 7719 82 D ASP O 16 O1H0u 0.660 1.420 2.699 17.782 16.091 1.105 [OK] 7720 82 D ASP CB 8 C4H2s 0.770 1.880 3.071 23.649 23.481 1.007 possible 7721 82 D ASP CG 2 C3H0b 0.770 1.610 2.624 10.234 9.422 1.086 [OK] 7722 82 D ASP OD1 16 O1H0u 0.660 1.420 3.278 20.465 15.505 1.320 possible 7723 82 D ASP OD2 16 O1H0u 0.660 1.420 2.521 17.368 16.324 1.064 [OK] 7724 83 D PHE N 12 N3H1s 0.700 1.640 2.830 15.799 13.691 1.154 [OK] 7725 83 D PHE CA 3 C4H1s 0.770 1.880 2.588 12.784 13.449 0.951 [OK] 7726 83 D PHE C 1 C3H0s 0.770 1.610 4.109 10.199 8.753 1.165 possible 7727 83 D PHE O 16 O1H0u 0.660 1.420 4.711 37.469 16.151 2.320 possible 7728 83 D PHE CB 8 C4H2s 0.770 1.880 5.585 53.469 23.777 2.249 possible 7729 83 D PHE CG 2 C3H0b 0.770 1.610 2.770 10.161 9.721 1.045 [OK] 7730 83 D PHE CD1 5 C3H1s 0.770 1.760 2.889 17.763 20.405 0.871 [OK] 7731 83 D PHE CD2 6 C3H1b 0.770 1.760 3.248 20.925 21.051 0.994 possible 7732 83 D PHE CE1 6 C3H1b 0.770 1.760 2.868 21.722 21.580 1.007 [OK] 7733 83 D PHE CE2 6 C3H1b 0.770 1.760 2.920 22.961 21.680 1.059 [OK] 7734 83 D PHE CZ 6 C3H1b 0.770 1.760 2.866 22.618 21.666 1.044 [OK] 7735 84 D GLY N 12 N3H1s 0.700 1.640 4.392 17.541 14.854 1.181 possible 7736 84 D GLY CA 8 C4H2s 0.770 1.880 4.878 47.528 23.688 2.006 possible 7737 84 D GLY C 2 C3H0b 0.770 1.610 3.709 13.174 9.840 1.339 possible 7738 84 D GLY O 16 O1H0u 0.660 1.420 2.787 16.503 16.391 1.007 [OK] 7739 85 D SER N 12 N3H1s 0.700 1.640 3.950 18.568 14.103 1.317 possible 7740 85 D SER CA 3 C4H1s 0.770 1.880 2.551 11.991 13.476 0.890 [OK] 7741 85 D SER C 1 C3H0s 0.770 1.610 2.330 9.086 8.923 1.018 [OK] 7742 85 D SER O 16 O1H0u 0.660 1.420 2.710 18.314 16.179 1.132 [OK] 7743 85 D SER CB 8 C4H2s 0.770 1.880 3.321 25.959 23.884 1.087 possible 7744 85 D SER OG 17 O2H1u 0.660 1.460 4.030 36.929 18.732 1.971 possible 7745 86 D TYR N 12 N3H1s 0.700 1.640 2.725 14.128 13.691 1.032 [OK] 7746 86 D TYR CA 3 C4H1s 0.770 1.880 2.811 12.488 13.330 0.937 [OK] 7747 86 D TYR C 1 C3H0s 0.770 1.610 2.490 8.464 8.770 0.965 [OK] 7748 86 D TYR O 16 O1H0u 0.660 1.420 2.511 13.676 16.124 0.848 [OK] 7749 86 D TYR CB 8 C4H2s 0.770 1.880 3.011 26.757 23.678 1.130 possible 7750 86 D TYR CG 2 C3H0b 0.770 1.610 2.490 9.269 9.732 0.952 [OK] 7751 86 D TYR CD1 5 C3H1s 0.770 1.760 3.001 20.309 20.171 1.007 possible 7752 86 D TYR CD2 5 C3H1s 0.770 1.760 3.060 22.716 20.728 1.096 possible 7753 86 D TYR CE1 5 C3H1s 0.770 1.760 2.747 18.104 20.675 0.876 [OK] 7754 86 D TYR CE2 5 C3H1s 0.770 1.760 3.049 22.129 20.810 1.063 possible 7755 86 D TYR CZ 2 C3H0b 0.770 1.610 2.715 9.844 9.926 0.992 [OK] 7756 86 D TYR OH 17 O2H1u 0.660 1.460 2.492 17.797 19.173 0.928 [OK] 7757 87 D TYR N 12 N3H1s 0.700 1.640 2.709 14.364 13.691 1.049 [OK] 7758 87 D TYR CA 3 C4H1s 0.770 1.880 2.673 12.379 13.330 0.929 [OK] 7759 87 D TYR C 1 C3H0s 0.770 1.610 2.863 9.335 8.770 1.064 [OK] 7760 87 D TYR O 16 O1H0u 0.660 1.420 2.546 16.023 16.124 0.994 [OK] 7761 87 D TYR CB 8 C4H2s 0.770 1.880 3.104 29.419 23.678 1.242 possible 7762 87 D TYR CG 2 C3H0b 0.770 1.610 2.415 9.052 9.732 0.930 [OK] 7763 87 D TYR CD1 5 C3H1s 0.770 1.760 3.156 24.444 20.171 1.212 possible 7764 87 D TYR CD2 5 C3H1s 0.770 1.760 2.789 19.378 20.728 0.935 [OK] 7765 87 D TYR CE1 5 C3H1s 0.770 1.760 2.970 22.430 20.675 1.085 [OK] 7766 87 D TYR CE2 5 C3H1s 0.770 1.760 3.058 22.331 20.810 1.073 possible 7767 87 D TYR CZ 2 C3H0b 0.770 1.610 2.889 11.307 9.926 1.139 [OK] 7768 87 D TYR OH 17 O2H1u 0.660 1.460 3.044 23.165 19.173 1.208 possible 7769 88 D CYS N 12 N3H1s 0.700 1.640 2.647 14.748 13.981 1.055 [OK] 7770 88 D CYS CA 3 C4H1s 0.770 1.880 2.649 12.608 13.656 0.923 [OK] 7771 88 D CYS C 1 C3H0s 0.770 1.610 2.848 9.596 8.897 1.079 [OK] 7772 88 D CYS O 16 O1H0u 0.660 1.420 2.497 15.237 16.543 0.921 [OK] 7773 88 D CYS CB 9 C4H2b 0.770 1.880 2.756 21.556 23.536 0.916 [OK] 7774 88 D CYS SG 20 S2H1u 1.040 1.770 2.906 25.506 3.133 8.141 [OK] 7775 89 D GLN N 12 N3H1s 0.700 1.640 2.606 14.344 13.616 1.053 [OK] 7776 89 D GLN CA 3 C4H1s 0.770 1.880 2.466 11.933 13.334 0.895 [OK] 7777 89 D GLN C 1 C3H0s 0.770 1.610 2.269 8.310 8.787 0.946 [OK] 7778 89 D GLN O 16 O1H0u 0.660 1.420 2.290 15.734 15.993 0.984 [OK] 7779 89 D GLN CB 8 C4H2s 0.770 1.880 3.084 21.640 23.275 0.930 possible 7780 89 D GLN CG 8 C4H2s 0.770 1.880 3.206 23.509 23.465 1.002 possible 7781 89 D GLN CD 2 C3H0b 0.770 1.610 2.567 10.397 9.659 1.076 [OK] 7782 89 D GLN OE1 16 O1H0u 0.660 1.420 2.522 17.123 17.091 1.002 [OK] 7783 89 D GLN NE2 15 N3H2u 0.700 1.640 2.639 24.344 24.150 1.008 [OK] 7784 90 D HIS N 12 N3H1s 0.700 1.640 2.538 12.624 13.715 0.920 [OK] 7785 90 D HIS CA 3 C4H1s 0.770 1.880 2.901 14.092 13.467 1.046 [OK] 7786 90 D HIS C 1 C3H0s 0.770 1.610 2.597 8.803 8.882 0.991 [OK] 7787 90 D HIS O 16 O1H0u 0.660 1.420 2.463 14.853 16.082 0.924 [OK] 7788 90 D HIS CB 8 C4H2s 0.770 1.880 2.990 26.130 23.653 1.105 [OK] 7789 90 D HIS CG 2 C3H0b 0.770 1.610 2.721 10.912 9.952 1.096 [OK] 7790 90 D HIS ND1 13 N3H1b 0.700 1.640 2.604 16.164 15.506 1.042 [OK] 7791 90 D HIS CD2 5 C3H1s 0.770 1.760 2.605 19.296 21.085 0.915 [OK] 7792 90 D HIS CE1 5 C3H1s 0.770 1.760 6.387 50.173 20.636 2.431 possible 7793 90 D HIS NE2 13 N3H1b 0.700 1.640 4.724 26.192 15.337 1.708 possible 7794 91 D HIS N 12 N3H1s 0.700 1.640 2.487 14.654 13.715 1.068 [OK] 7795 91 D HIS CA 3 C4H1s 0.770 1.880 2.621 12.459 13.467 0.925 [OK] 7796 91 D HIS C 1 C3H0s 0.770 1.610 2.349 8.593 8.882 0.968 [OK] 7797 91 D HIS O 16 O1H0u 0.660 1.420 2.424 13.607 16.082 0.846 [OK] 7798 91 D HIS CB 8 C4H2s 0.770 1.880 2.786 22.105 23.653 0.935 [OK] 7799 91 D HIS CG 2 C3H0b 0.770 1.610 2.442 9.882 9.952 0.993 [OK] 7800 91 D HIS ND1 13 N3H1b 0.700 1.640 2.508 16.224 15.506 1.046 [OK] 7801 91 D HIS CD2 5 C3H1s 0.770 1.760 2.698 20.074 21.085 0.952 [OK] 7802 91 D HIS CE1 5 C3H1s 0.770 1.760 2.611 16.351 20.636 0.792 [OK] 7803 91 D HIS NE2 13 N3H1b 0.700 1.640 3.093 23.351 15.337 1.523 possible 7804 92 D TYR N 12 N3H1s 0.700 1.640 2.608 15.013 13.691 1.097 [OK] 7805 92 D TYR CA 3 C4H1s 0.770 1.880 3.067 14.199 13.330 1.065 possible 7806 92 D TYR C 1 C3H0s 0.770 1.610 2.446 8.861 8.770 1.010 [OK] 7807 92 D TYR O 16 O1H0u 0.660 1.420 3.392 19.921 16.124 1.235 possible 7808 92 D TYR CB 8 C4H2s 0.770 1.880 2.970 21.379 23.678 0.903 [OK] 7809 92 D TYR CG 2 C3H0b 0.770 1.610 2.202 8.468 9.732 0.870 [OK] 7810 92 D TYR CD1 5 C3H1s 0.770 1.760 3.604 21.219 20.171 1.052 possible 7811 92 D TYR CD2 5 C3H1s 0.770 1.760 5.711 35.454 20.728 1.710 possible 7812 92 D TYR CE1 5 C3H1s 0.770 1.760 4.370 30.353 20.675 1.468 possible 7813 92 D TYR CE2 5 C3H1s 0.770 1.760 6.841 74.531 20.810 3.581 possible 7814 92 D TYR CZ 2 C3H0b 0.770 1.610 4.077 13.018 9.926 1.311 possible 7815 92 D TYR OH 17 O2H1u 0.660 1.460 4.965 63.203 19.173 3.296 possible 7816 93 D GLY N 12 N3H1s 0.700 1.640 3.430 18.540 14.854 1.248 possible 7817 93 D GLY CA 8 C4H2s 0.770 1.880 20.603 -1.000 23.688 -1.000 bad 7818 93 D GLY C 2 C3H0b 0.770 1.610 3.812 10.971 9.840 1.115 possible 7819 93 D GLY O 16 O1H0u 0.660 1.420 3.910 32.648 16.391 1.992 possible 7820 94 D THR N 12 N3H1s 0.700 1.640 5.647 26.541 13.832 1.919 possible 7821 94 D THR CA 3 C4H1s 0.770 1.880 3.420 12.465 13.099 0.952 possible 7822 94 D THR C 1 C3H0s 0.770 1.610 2.655 9.169 8.738 1.049 [OK] 7823 94 D THR O 16 O1H0u 0.660 1.420 3.997 28.894 16.020 1.804 possible 7824 94 D THR CB 4 C4H1b 0.770 1.880 4.486 21.160 14.829 1.427 possible 7825 94 D THR OG1 17 O2H1u 0.660 1.460 30.273 -1.000 18.123 -1.000 bad 7826 94 D THR CG2 10 C4H3u 0.770 1.880 58.727 -1.000 36.542 -1.000 bad 7827 95 D PRO N 11 N3H0u 0.700 1.640 2.713 9.233 8.823 1.046 [OK] 7828 95 D PRO CA 4 C4H1b 0.770 1.880 2.713 12.544 13.955 0.899 [OK] 7829 95 D PRO C 1 C3H0s 0.770 1.610 2.863 9.286 8.812 1.054 [OK] 7830 95 D PRO O 16 O1H0u 0.660 1.420 6.133 46.627 16.169 2.884 possible 7831 95 D PRO CB 9 C4H2b 0.770 1.880 3.186 22.107 25.563 0.865 possible 7832 95 D PRO CG 9 C4H2b 0.770 1.880 3.021 24.674 25.832 0.955 possible 7833 95 D PRO CD 8 C4H2s 0.770 1.880 3.409 25.836 23.836 1.084 possible 7834 96 D PRO N 11 N3H0u 0.700 1.640 3.059 10.058 8.823 1.140 possible 7835 96 D PRO CA 4 C4H1b 0.770 1.880 2.943 13.137 13.955 0.941 [OK] 7836 96 D PRO C 1 C3H0s 0.770 1.610 3.095 8.994 8.812 1.021 possible 7837 96 D PRO O 16 O1H0u 0.660 1.420 3.455 24.612 16.169 1.522 possible 7838 96 D PRO CB 9 C4H2b 0.770 1.880 4.757 29.248 25.563 1.144 possible 7839 96 D PRO CG 9 C4H2b 0.770 1.880 4.632 40.503 25.832 1.568 possible 7840 96 D PRO CD 8 C4H2s 0.770 1.880 7.063 61.422 23.836 2.577 possible 7841 97 D LEU N 12 N3H1s 0.700 1.640 2.505 13.977 13.655 1.024 [OK] 7842 97 D LEU CA 3 C4H1s 0.770 1.880 2.768 12.311 13.122 0.938 [OK] 7843 97 D LEU C 1 C3H0s 0.770 1.610 3.209 11.478 8.825 1.301 possible 7844 97 D LEU O 16 O1H0u 0.660 1.420 4.657 32.657 16.208 2.015 possible 7845 97 D LEU CB 8 C4H2s 0.770 1.880 2.961 22.340 22.951 0.973 [OK] 7846 97 D LEU CG 4 C4H1b 0.770 1.880 2.786 14.447 14.764 0.979 [OK] 7847 97 D LEU CD1 10 C4H3u 0.770 1.880 2.960 34.433 37.425 0.920 [OK] 7848 97 D LEU CD2 10 C4H3u 0.770 1.880 3.880 39.403 37.143 1.061 possible 7849 98 D THR N 12 N3H1s 0.700 1.640 2.650 15.589 13.832 1.127 [OK] 7850 98 D THR CA 3 C4H1s 0.770 1.880 4.310 16.229 13.099 1.239 possible 7851 98 D THR C 1 C3H0s 0.770 1.610 2.694 9.680 8.738 1.108 [OK] 7852 98 D THR O 16 O1H0u 0.660 1.420 2.695 17.563 16.020 1.096 [OK] 7853 98 D THR CB 4 C4H1b 0.770 1.880 2.824 15.919 14.829 1.074 [OK] 7854 98 D THR OG1 17 O2H1u 0.660 1.460 3.654 23.885 18.123 1.318 possible 7855 98 D THR CG2 10 C4H3u 0.770 1.880 26.484 -1.000 36.542 -1.000 bad 7856 99 D PHE N 12 N3H1s 0.700 1.640 4.082 20.261 13.691 1.480 possible 7857 99 D PHE CA 3 C4H1s 0.770 1.880 2.487 13.618 13.449 1.013 [OK] 7858 99 D PHE C 1 C3H0s 0.770 1.610 2.485 8.923 8.753 1.019 [OK] 7859 99 D PHE O 16 O1H0u 0.660 1.420 5.675 46.413 16.151 2.874 possible 7860 99 D PHE CB 8 C4H2s 0.770 1.880 3.511 25.934 23.777 1.091 possible 7861 99 D PHE CG 2 C3H0b 0.770 1.610 2.486 9.622 9.721 0.990 [OK] 7862 99 D PHE CD1 5 C3H1s 0.770 1.760 3.006 22.107 20.405 1.083 possible 7863 99 D PHE CD2 6 C3H1b 0.770 1.760 3.661 26.367 21.051 1.253 possible 7864 99 D PHE CE1 6 C3H1b 0.770 1.760 3.109 24.263 21.580 1.124 possible 7865 99 D PHE CE2 6 C3H1b 0.770 1.760 2.869 23.621 21.680 1.090 [OK] 7866 99 D PHE CZ 6 C3H1b 0.770 1.760 2.855 22.490 21.666 1.038 [OK] 7867 100 D GLY N 12 N3H1s 0.700 1.640 2.665 14.819 14.854 0.998 [OK] 7868 100 D GLY CA 8 C4H2s 0.770 1.880 3.006 24.186 23.688 1.021 possible 7869 100 D GLY C 2 C3H0b 0.770 1.610 2.834 9.156 9.840 0.930 [OK] 7870 100 D GLY O 16 O1H0u 0.660 1.420 2.477 15.205 16.391 0.928 [OK] 7871 101 D GLY N 12 N3H1s 0.700 1.640 5.161 30.813 14.854 2.074 possible 7872 101 D GLY CA 8 C4H2s 0.770 1.880 7.455 87.554 23.688 3.696 possible 7873 101 D GLY C 2 C3H0b 0.770 1.610 3.246 10.270 9.840 1.044 possible 7874 101 D GLY O 16 O1H0u 0.660 1.420 3.455 34.319 16.391 2.094 possible 7875 102 D GLY N 12 N3H1s 0.700 1.640 2.796 12.726 14.854 0.857 [OK] 7876 102 D GLY CA 8 C4H2s 0.770 1.880 3.463 20.922 23.688 0.883 possible 7877 102 D GLY C 2 C3H0b 0.770 1.610 3.300 12.138 9.840 1.234 possible 7878 102 D GLY O 16 O1H0u 0.660 1.420 3.199 27.751 16.391 1.693 possible 7879 103 D THR N 12 N3H1s 0.700 1.640 3.183 15.188 13.832 1.098 possible 7880 103 D THR CA 3 C4H1s 0.770 1.880 3.140 12.951 13.099 0.989 possible 7881 103 D THR C 1 C3H0s 0.770 1.610 2.955 9.361 8.738 1.071 [OK] 7882 103 D THR O 16 O1H0u 0.660 1.420 2.549 16.927 16.020 1.057 [OK] 7883 103 D THR CB 4 C4H1b 0.770 1.880 2.717 12.905 14.829 0.870 [OK] 7884 103 D THR OG1 17 O2H1u 0.660 1.460 2.817 28.598 18.123 1.578 [OK] 7885 103 D THR CG2 10 C4H3u 0.770 1.880 3.181 30.827 36.542 0.844 possible 7886 104 D LYS N 12 N3H1s 0.700 1.640 3.038 14.890 13.675 1.089 possible 7887 104 D LYS CA 3 C4H1s 0.770 1.880 3.038 13.390 13.324 1.005 possible 7888 104 D LYS C 1 C3H0s 0.770 1.610 2.696 9.526 8.759 1.088 [OK] 7889 104 D LYS O 16 O1H0u 0.660 1.420 2.774 19.736 16.049 1.230 [OK] 7890 104 D LYS CB 8 C4H2s 0.770 1.880 4.586 33.470 22.904 1.461 possible 7891 104 D LYS CG 8 C4H2s 0.770 1.880 4.551 28.557 23.131 1.235 possible 7892 104 D LYS CD 8 C4H2s 0.770 1.880 24.492 -1.000 23.837 -1.000 bad 7893 104 D LYS CE 9 C4H2b 0.770 1.880 28.791 -1.000 23.934 -1.000 bad 7894 104 D LYS NZ 14 N4H3u 0.700 1.640 5.289 60.776 21.213 2.865 possible 7895 105 D LEU N 12 N3H1s 0.700 1.640 3.236 15.703 13.655 1.150 possible 7896 105 D LEU CA 3 C4H1s 0.770 1.880 2.900 12.358 13.122 0.942 [OK] 7897 105 D LEU C 1 C3H0s 0.770 1.610 2.439 8.370 8.825 0.948 [OK] 7898 105 D LEU O 16 O1H0u 0.660 1.420 4.347 22.421 16.208 1.383 possible 7899 105 D LEU CB 8 C4H2s 0.770 1.880 3.342 25.799 22.951 1.124 possible 7900 105 D LEU CG 4 C4H1b 0.770 1.880 2.826 13.528 14.764 0.916 [OK] 7901 105 D LEU CD1 10 C4H3u 0.770 1.880 3.456 42.455 37.425 1.134 possible 7902 105 D LEU CD2 10 C4H3u 0.770 1.880 3.040 37.648 37.143 1.014 possible 7903 106 D GLU N 12 N3H1s 0.700 1.640 2.629 14.583 13.615 1.071 [OK] 7904 106 D GLU CA 3 C4H1s 0.770 1.880 4.834 17.698 13.399 1.321 possible 7905 106 D GLU C 1 C3H0s 0.770 1.610 2.404 8.294 8.675 0.956 [OK] 7906 106 D GLU O 16 O1H0u 0.660 1.420 2.475 16.449 16.023 1.027 [OK] 7907 106 D GLU CB 8 C4H2s 0.770 1.880 11.004 -1.000 23.529 -1.000 bad 7908 106 D GLU CG 8 C4H2s 0.770 1.880 17.751 -1.000 23.513 -1.000 bad 7909 106 D GLU CD 2 C3H0b 0.770 1.610 3.453 -1.000 9.460 -1.000 bad 7910 106 D GLU OE1 16 O1H0u 0.660 1.420 27.542 -1.000 15.999 -1.000 bad 7911 106 D GLU OE2 16 O1H0u 0.660 1.420 24.224 -1.000 17.432 -1.000 bad 7912 107 D ILE N 12 N3H1s 0.700 1.640 5.359 21.117 13.633 1.549 possible 7913 107 D ILE CA 3 C4H1s 0.770 1.880 2.453 11.886 13.007 0.914 [OK] 7914 107 D ILE C 1 C3H0s 0.770 1.610 2.767 9.049 8.470 1.068 [OK] 7915 107 D ILE O 16 O1H0u 0.660 1.420 14.787 -1.000 16.144 -1.000 bad 7916 107 D ILE CB 4 C4H1b 0.770 1.880 8.813 -1.000 14.227 -1.000 bad 7917 107 D ILE CG1 9 C4H2b 0.770 1.880 7.513 45.135 24.187 1.866 possible 7918 107 D ILE CG2 10 C4H3u 0.770 1.880 18.113 -1.000 35.961 -1.000 bad 7919 107 D ILE CD1 10 C4H3u 0.770 1.880 49.627 -1.000 38.377 -1.000 bad 7920 108 D LYS N 12 N3H1s 0.700 1.640 2.895 15.626 13.675 1.143 [OK] 7921 108 D LYS CA 3 C4H1s 0.770 1.880 2.856 12.482 13.324 0.937 [OK] 7922 108 D LYS C 1 C3H0s 0.770 1.610 4.484 10.257 8.759 1.171 possible 7923 108 D LYS O 16 O1H0u 0.660 1.420 31.162 -1.000 16.049 -1.000 bad 7924 108 D LYS CB 8 C4H2s 0.770 1.880 13.289 -1.000 22.904 -1.000 bad 7925 108 D LYS CG 8 C4H2s 0.770 1.880 5.573 40.348 23.131 1.744 possible 7926 108 D LYS CD 8 C4H2s 0.770 1.880 33.321 -1.000 23.837 -1.000 bad 7927 108 D LYS CE 9 C4H2b 0.770 1.880 4.889 31.727 23.934 1.326 possible 7928 108 D LYS NZ 14 N4H3u 0.700 1.640 57.791 -1.000 21.213 -1.000 bad 7929 108 D LYS OXT 16 O1H0u 0.660 1.420 34.209 -1.000 1.420 -1.000 bad 7931 1 . HEA FE . 25 DEFAULT 0.770 1.800 1.867 9.230 1.800 5.128 [OK] 7932 1 . HEA CHA 9 C4H2b 0.770 1.880 2.976 21.541 1.880 11.458 [OK] 7933 1 . HEA CHB 9 C4H2b 0.770 1.880 3.317 24.222 1.880 12.884 possible 7934 1 . HEA CHC 9 C4H2b 0.770 1.880 3.090 20.113 1.880 10.698 possible 7935 1 . HEA CHD 9 C4H2b 0.770 1.880 2.796 19.391 1.880 10.314 [OK] 7936 1 . HEA N A 14 N4H3u 0.700 1.640 2.544 9.392 1.640 5.727 [OK] 7937 1 . HEA C1A 9 C4H2b 0.770 1.880 2.740 11.027 1.880 5.865 [OK] 7938 1 . HEA C2A 9 C4H2b 0.770 1.880 2.618 10.728 1.880 5.707 [OK] 7939 1 . HEA C3A 9 C4H2b 0.770 1.880 3.135 12.674 1.880 6.742 possible 7940 1 . HEA C4A 9 C4H2b 0.770 1.880 3.011 12.526 1.880 6.663 possible 7941 1 . HEA CMA 9 C4H2b 0.770 1.880 3.074 24.380 1.880 12.968 possible 7942 1 . HEA OMA 17 O2H1u 0.660 1.460 2.883 24.345 1.460 16.675 [OK] 7943 1 . HEA CAA 9 C4H2b 0.770 1.880 2.984 21.430 1.880 11.399 [OK] 7944 1 . HEA CBA 9 C4H2b 0.770 1.880 2.997 23.743 1.880 12.629 [OK] 7945 1 . HEA CGA 9 C4H2b 0.770 1.880 2.812 10.898 1.880 5.797 [OK] 7946 1 . HEA O1A 17 O2H1u 0.660 1.460 2.643 17.922 1.460 12.276 [OK] 7947 1 . HEA O2A 17 O2H1u 0.660 1.460 2.591 16.051 1.460 10.994 [OK] 7948 1 . HEA N B 14 N4H3u 0.700 1.640 2.110 8.695 1.640 5.302 [OK] 7949 1 . HEA C1B 9 C4H2b 0.770 1.880 2.463 9.991 1.880 5.314 [OK] 7950 1 . HEA C2B 9 C4H2b 0.770 1.880 2.446 9.902 1.880 5.267 [OK] 7951 1 . HEA C3B 9 C4H2b 0.770 1.880 2.907 9.945 1.880 5.290 [OK] 7952 1 . HEA C4B 9 C4H2b 0.770 1.880 3.080 10.443 1.880 5.555 possible 7953 1 . HEA CMB 9 C4H2b 0.770 1.880 3.119 35.916 1.880 19.104 possible 7954 1 . HEA N C 14 N4H3u 0.700 1.640 2.369 9.156 1.640 5.583 [OK] 7955 1 . HEA C1C 9 C4H2b 0.770 1.880 2.634 10.373 1.880 5.517 [OK] 7956 1 . HEA C2C 9 C4H2b 0.770 1.880 2.939 11.506 1.880 6.120 [OK] 7957 1 . HEA C3C 9 C4H2b 0.770 1.880 3.114 10.970 1.880 5.835 possible 7958 1 . HEA C4C 9 C4H2b 0.770 1.880 3.000 11.291 1.880 6.006 possible 7959 1 . HEA CMC 9 C4H2b 0.770 1.880 3.000 34.083 1.880 18.129 [OK] 7960 1 . HEA CAC 9 C4H2b 0.770 1.880 2.776 18.257 1.880 9.711 [OK] 7961 1 . HEA CBC 9 C4H2b 0.770 1.880 3.265 38.902 1.880 20.692 possible 7962 1 . HEA N D 14 N4H3u 0.700 1.640 2.252 8.965 1.640 5.467 [OK] 7963 1 . HEA C1D 9 C4H2b 0.770 1.880 2.816 11.163 1.880 5.938 [OK] 7964 1 . HEA C2D 9 C4H2b 0.770 1.880 2.630 11.129 1.880 5.920 [OK] 7965 1 . HEA C3D 9 C4H2b 0.770 1.880 2.699 10.601 1.880 5.639 [OK] 7966 1 . HEA C4D 9 C4H2b 0.770 1.880 2.658 10.150 1.880 5.399 [OK] 7967 1 . HEA CMD 9 C4H2b 0.770 1.880 3.070 35.389 1.880 18.824 possible 7968 1 . HEA CAD 9 C4H2b 0.770 1.880 2.873 21.180 1.880 11.266 [OK] 7969 1 . HEA CBD 9 C4H2b 0.770 1.880 2.981 24.565 1.880 13.066 [OK] 7970 1 . HEA CGD 9 C4H2b 0.770 1.880 2.675 10.427 1.880 5.547 [OK] 7971 1 . HEA O1D 17 O2H1u 0.660 1.460 2.472 16.707 1.460 11.443 [OK] 7972 1 . HEA O2D 17 O2H1u 0.660 1.460 2.504 16.607 1.460 11.375 [OK] 7973 1 . HEA C11 9 C4H2b 0.770 1.880 3.159 14.905 1.880 7.928 possible 7974 1 . HEA O11 17 O2H1u 0.660 1.460 2.939 22.909 1.460 15.691 [OK] 7975 1 . HEA C12 9 C4H2b 0.770 1.880 3.189 21.993 1.880 11.698 possible 7976 1 . HEA C13 9 C4H2b 0.770 1.880 3.150 27.172 1.880 14.453 possible 7977 1 . HEA C14 9 C4H2b 0.770 1.880 3.025 23.085 1.880 12.279 possible 7978 1 . HEA C15 9 C4H2b 0.770 1.880 2.598 11.246 1.880 5.982 [OK] 7979 1 . HEA C16 9 C4H2b 0.770 1.880 3.446 25.219 1.880 13.415 possible 7980 1 . HEA C17 9 C4H2b 0.770 1.880 3.025 24.222 1.880 12.884 possible 7981 1 . HEA C18 9 C4H2b 0.770 1.880 3.081 21.692 1.880 11.538 possible 7982 1 . HEA C19 9 C4H2b 0.770 1.880 3.073 11.653 1.880 6.198 possible 7983 1 . HEA C20 9 C4H2b 0.770 1.880 3.295 28.786 1.880 15.312 possible 7984 1 . HEA C21 9 C4H2b 0.770 1.880 3.272 27.068 1.880 14.398 possible 7985 1 . HEA C22 9 C4H2b 0.770 1.880 3.239 25.897 1.880 13.775 possible 7986 1 . HEA C23 9 C4H2b 0.770 1.880 2.766 11.524 1.880 6.130 [OK] 7987 1 . HEA C24 9 C4H2b 0.770 1.880 3.138 42.087 1.880 22.387 possible 7988 1 . HEA C25 9 C4H2b 0.770 1.880 3.218 40.621 1.880 21.607 possible 7989 1 . HEA C26 9 C4H2b 0.770 1.880 3.502 40.990 1.880 21.803 possible 7990 1 . HEA C27 9 C4H2b 0.770 1.880 3.186 35.454 1.880 18.858 possible 7991 2 . HEA FE . 25 DEFAULT 0.770 1.800 2.550 12.242 1.800 6.801 [OK] 7992 2 . HEA CHA 9 C4H2b 0.770 1.880 2.824 18.121 1.880 9.639 [OK] 7993 2 . HEA CHB 9 C4H2b 0.770 1.880 2.595 17.475 1.880 9.295 [OK] 7994 2 . HEA CHC 9 C4H2b 0.770 1.880 3.234 21.159 1.880 11.255 possible 7995 2 . HEA CHD 9 C4H2b 0.770 1.880 2.786 17.937 1.880 9.541 [OK] 7996 2 . HEA N A 14 N4H3u 0.700 1.640 2.543 10.819 1.640 6.597 [OK] 7997 2 . HEA C1A 9 C4H2b 0.770 1.880 2.673 10.951 1.880 5.825 [OK] 7998 2 . HEA C2A 9 C4H2b 0.770 1.880 2.612 11.246 1.880 5.982 [OK] 7999 2 . HEA C3A 9 C4H2b 0.770 1.880 2.488 11.144 1.880 5.928 [OK] 8000 2 . HEA C4A 9 C4H2b 0.770 1.880 2.762 11.308 1.880 6.015 [OK] 8001 2 . HEA CMA 9 C4H2b 0.770 1.880 3.117 20.751 1.880 11.038 possible 8002 2 . HEA OMA 17 O2H1u 0.660 1.460 2.558 16.792 1.460 11.501 [OK] 8003 2 . HEA CAA 9 C4H2b 0.770 1.880 3.051 21.452 1.880 11.411 possible 8004 2 . HEA CBA 9 C4H2b 0.770 1.880 2.950 22.324 1.880 11.875 [OK] 8005 2 . HEA CGA 9 C4H2b 0.770 1.880 2.754 10.539 1.880 5.606 [OK] 8006 2 . HEA O1A 17 O2H1u 0.660 1.460 2.784 20.593 1.460 14.104 [OK] 8007 2 . HEA O2A 17 O2H1u 0.660 1.460 2.601 17.687 1.460 12.114 [OK] 8008 2 . HEA N B 14 N4H3u 0.700 1.640 2.688 11.637 1.640 7.096 [OK] 8009 2 . HEA C1B 9 C4H2b 0.770 1.880 2.732 11.007 1.880 5.855 [OK] 8010 2 . HEA C2B 9 C4H2b 0.770 1.880 2.920 12.578 1.880 6.690 [OK] 8011 2 . HEA C3B 9 C4H2b 0.770 1.880 2.845 10.660 1.880 5.670 [OK] 8012 2 . HEA C4B 9 C4H2b 0.770 1.880 2.893 11.576 1.880 6.158 [OK] 8013 2 . HEA CMB 9 C4H2b 0.770 1.880 3.372 39.668 1.880 21.100 possible 8014 2 . HEA N C 14 N4H3u 0.700 1.640 2.688 11.860 1.640 7.232 [OK] 8015 2 . HEA C1C 9 C4H2b 0.770 1.880 2.881 11.707 1.880 6.227 [OK] 8016 2 . HEA C2C 9 C4H2b 0.770 1.880 2.557 11.311 1.880 6.016 [OK] 8017 2 . HEA C3C 9 C4H2b 0.770 1.880 2.453 8.833 1.880 4.698 [OK] 8018 2 . HEA C4C 9 C4H2b 0.770 1.880 2.755 9.823 1.880 5.225 [OK] 8019 2 . HEA CMC 9 C4H2b 0.770 1.880 3.629 41.408 1.880 22.025 possible 8020 2 . HEA CAC 9 C4H2b 0.770 1.880 2.887 18.934 1.880 10.071 [OK] 8021 2 . HEA CBC 9 C4H2b 0.770 1.880 3.008 32.442 1.880 17.256 possible 8022 2 . HEA N D 14 N4H3u 0.700 1.640 2.682 11.130 1.640 6.787 [OK] 8023 2 . HEA C1D 9 C4H2b 0.770 1.880 3.071 10.797 1.880 5.743 possible 8024 2 . HEA C2D 9 C4H2b 0.770 1.880 3.381 11.532 1.880 6.134 possible 8025 2 . HEA C3D 9 C4H2b 0.770 1.880 3.054 10.746 1.880 5.716 possible 8026 2 . HEA C4D 9 C4H2b 0.770 1.880 2.841 11.041 1.880 5.873 [OK] 8027 2 . HEA CMD 9 C4H2b 0.770 1.880 3.453 38.988 1.880 20.738 possible 8028 2 . HEA CAD 9 C4H2b 0.770 1.880 2.864 20.629 1.880 10.973 [OK] 8029 2 . HEA CBD 9 C4H2b 0.770 1.880 3.446 24.758 1.880 13.169 possible 8030 2 . HEA CGD 9 C4H2b 0.770 1.880 2.863 10.794 1.880 5.741 [OK] 8031 2 . HEA O1D 17 O2H1u 0.660 1.460 2.569 19.953 1.460 13.667 [OK] 8032 2 . HEA O2D 17 O2H1u 0.660 1.460 3.771 26.448 1.460 18.115 possible 8033 2 . HEA C11 9 C4H2b 0.770 1.880 3.218 14.219 1.880 7.563 possible 8034 2 . HEA O11 17 O2H1u 0.660 1.460 3.374 24.267 1.460 16.621 possible 8035 2 . HEA C12 9 C4H2b 0.770 1.880 3.221 25.958 1.880 13.807 possible 8036 2 . HEA C13 9 C4H2b 0.770 1.880 3.272 26.435 1.880 14.061 possible 8037 2 . HEA C14 9 C4H2b 0.770 1.880 3.029 20.751 1.880 11.038 possible 8038 2 . HEA C15 9 C4H2b 0.770 1.880 2.452 10.599 1.880 5.638 [OK] 8039 2 . HEA C16 9 C4H2b 0.770 1.880 2.892 25.076 1.880 13.338 [OK] 8040 2 . HEA C17 9 C4H2b 0.770 1.880 3.038 24.179 1.880 12.861 possible 8041 2 . HEA C18 9 C4H2b 0.770 1.880 3.089 25.261 1.880 13.437 possible 8042 2 . HEA C19 9 C4H2b 0.770 1.880 2.893 11.775 1.880 6.263 [OK] 8043 2 . HEA C20 9 C4H2b 0.770 1.880 3.171 30.530 1.880 16.239 possible 8044 2 . HEA C21 9 C4H2b 0.770 1.880 4.120 32.262 1.880 17.160 possible 8045 2 . HEA C22 9 C4H2b 0.770 1.880 3.138 23.416 1.880 12.455 possible 8046 2 . HEA C23 9 C4H2b 0.770 1.880 3.381 14.875 1.880 7.912 possible 8047 2 . HEA C24 9 C4H2b 0.770 1.880 3.201 39.399 1.880 20.957 possible 8048 2 . HEA C25 9 C4H2b 0.770 1.880 3.259 47.156 1.880 25.083 possible 8049 2 . HEA C26 9 C4H2b 0.770 1.880 3.129 32.794 1.880 17.443 possible 8050 2 . HEA C27 9 C4H2b 0.770 1.880 3.064 26.531 1.880 14.112 possible 8051 3 . CU CU . 9 C4H2b 0.770 1.880 2.547 19.338 1.880 10.286 [OK] 8052 4 . CU CU . 9 C4H2b 0.770 1.880 2.692 17.937 1.880 9.541 [OK] 8053 5 . CU CU . 9 C4H2b 0.770 1.880 3.169 32.486 1.880 17.280 possible 8054 6 . MG MG . 25 DEFAULT 0.770 1.800 3.796 23.171 1.800 12.873 possible 8055 7 . CA CA . 9 C4H2b 0.770 1.880 3.038 29.455 1.880 15.668 possible 8056 8 . LDA N1 14 N4H3u 0.700 1.640 2.106 4.397 1.640 2.681 [OK] 8057 8 . LDA O1 17 O2H1u 0.660 1.460 6.264 27.289 1.460 18.691 possible 8058 8 . LDA CM1 9 C4H2b 0.770 1.880 58.409 -1.000 1.880 -1.000 bad 8059 8 . LDA CM2 9 C4H2b 0.770 1.880 36.333 -1.000 1.880 -1.000 bad 8060 8 . LDA C1 9 C4H2b 0.770 1.880 14.019 -1.000 1.880 -1.000 bad 8061 8 . LDA C2 9 C4H2b 0.770 1.880 5.339 50.032 1.880 26.613 possible 8062 8 . LDA C3 9 C4H2b 0.770 1.880 4.228 29.825 1.880 15.865 possible 8063 8 . LDA C4 9 C4H2b 0.770 1.880 5.582 36.281 1.880 19.298 possible 8064 8 . LDA C5 9 C4H2b 0.770 1.880 4.868 31.662 1.880 16.842 possible 8065 8 . LDA C6 9 C4H2b 0.770 1.880 5.395 42.275 1.880 22.487 possible 8066 8 . LDA C7 9 C4H2b 0.770 1.880 4.365 27.990 1.880 14.889 possible 8067 8 . LDA C8 9 C4H2b 0.770 1.880 4.499 35.716 1.880 18.998 possible 8068 8 . LDA C9 9 C4H2b 0.770 1.880 3.399 27.333 1.880 14.539 possible 8069 8 . LDA C10 9 C4H2b 0.770 1.880 4.442 32.300 1.880 17.181 possible 8070 8 . LDA C11 9 C4H2b 0.770 1.880 3.795 32.259 1.880 17.159 possible 8071 8 . LDA C12 9 C4H2b 0.770 1.880 4.633 59.369 1.880 31.579 possible 8072 9 . LDA N1 14 N4H3u 0.700 1.640 2.140 4.564 1.640 2.783 [OK] 8073 9 . LDA O1 17 O2H1u 0.660 1.460 20.235 -1.000 1.460 -1.000 bad 8074 9 . LDA CM1 9 C4H2b 0.770 1.880 15.976 -1.000 1.880 -1.000 bad 8075 9 . LDA CM2 9 C4H2b 0.770 1.880 60.163 -1.000 1.880 -1.000 bad 8076 9 . LDA C1 9 C4H2b 0.770 1.880 5.535 45.035 1.880 23.955 possible 8077 9 . LDA C2 9 C4H2b 0.770 1.880 4.087 29.076 1.880 15.466 possible 8078 9 . LDA C3 9 C4H2b 0.770 1.880 21.090 -1.000 1.880 -1.000 bad 8079 9 . LDA C4 9 C4H2b 0.770 1.880 18.093 -1.000 1.880 -1.000 bad 8080 9 . LDA C5 9 C4H2b 0.770 1.880 7.966 -1.000 1.880 -1.000 bad 8081 9 . LDA C6 9 C4H2b 0.770 1.880 20.626 -1.000 1.880 -1.000 bad 8082 9 . LDA C7 9 C4H2b 0.770 1.880 6.007 29.862 1.880 15.884 possible 8083 9 . LDA C8 9 C4H2b 0.770 1.880 16.450 -1.000 1.880 -1.000 bad 8084 9 . LDA C9 9 C4H2b 0.770 1.880 8.709 -1.000 1.880 -1.000 bad 8085 9 . LDA C10 9 C4H2b 0.770 1.880 8.659 -1.000 1.880 -1.000 bad 8086 9 . LDA C11 9 C4H2b 0.770 1.880 6.310 48.899 1.880 26.010 possible 8087 9 . LDA C12 9 C4H2b 0.770 1.880 16.176 -1.000 1.880 -1.000 bad 8088 10 . LDA N1 14 N4H3u 0.700 1.640 2.062 4.418 1.640 2.694 [OK] 8089 10 . LDA O1 17 O2H1u 0.660 1.460 30.585 -1.000 1.460 -1.000 bad 8090 10 . LDA CM1 9 C4H2b 0.770 1.880 26.964 -1.000 1.880 -1.000 bad 8091 10 . LDA CM2 9 C4H2b 0.770 1.880 4.718 46.378 1.880 24.669 possible 8092 10 . LDA C1 9 C4H2b 0.770 1.880 9.136 -1.000 1.880 -1.000 bad 8093 10 . LDA C2 9 C4H2b 0.770 1.880 36.402 -1.000 1.880 -1.000 bad 8094 10 . LDA C3 9 C4H2b 0.770 1.880 21.777 -1.000 1.880 -1.000 bad 8095 10 . LDA C4 9 C4H2b 0.770 1.880 7.096 43.588 1.880 23.185 possible 8096 10 . LDA C5 9 C4H2b 0.770 1.880 12.332 -1.000 1.880 -1.000 bad 8097 10 . LDA C6 9 C4H2b 0.770 1.880 12.581 -1.000 1.880 -1.000 bad 8098 10 . LDA C7 9 C4H2b 0.770 1.880 15.879 -1.000 1.880 -1.000 bad 8099 10 . LDA C8 9 C4H2b 0.770 1.880 2.966 25.478 1.880 13.552 [OK] 8100 10 . LDA C9 9 C4H2b 0.770 1.880 6.685 43.463 1.880 23.118 possible 8101 10 . LDA C10 9 C4H2b 0.770 1.880 3.218 30.612 1.880 16.283 possible 8102 10 . LDA C11 9 C4H2b 0.770 1.880 5.730 45.693 1.880 24.305 possible 8103 10 . LDA C12 9 C4H2b 0.770 1.880 5.427 77.284 1.880 41.109 possible 8104 11 . LDA N1 14 N4H3u 0.700 1.640 2.044 4.365 1.640 2.662 [OK] 8105 11 . LDA O1 17 O2H1u 0.660 1.460 30.580 -1.000 1.460 -1.000 bad 8106 11 . LDA CM1 9 C4H2b 0.770 1.880 36.520 -1.000 1.880 -1.000 bad 8107 11 . LDA CM2 9 C4H2b 0.770 1.880 54.231 -1.000 1.880 -1.000 bad 8108 11 . LDA C1 9 C4H2b 0.770 1.880 4.869 33.307 1.880 17.717 possible 8109 11 . LDA C2 9 C4H2b 0.770 1.880 19.796 -1.000 1.880 -1.000 bad 8110 11 . LDA C3 9 C4H2b 0.770 1.880 6.129 28.125 1.880 14.960 possible 8111 11 . LDA C4 9 C4H2b 0.770 1.880 20.600 -1.000 1.880 -1.000 bad 8112 11 . LDA C5 9 C4H2b 0.770 1.880 5.801 34.470 1.880 18.335 possible 8113 11 . LDA C6 9 C4H2b 0.770 1.880 11.357 -1.000 1.880 -1.000 bad 8114 11 . LDA C7 9 C4H2b 0.770 1.880 4.566 35.739 1.880 19.010 possible 8115 11 . LDA C8 9 C4H2b 0.770 1.880 7.158 43.485 1.880 23.130 possible 8116 11 . LDA C9 9 C4H2b 0.770 1.880 4.539 27.104 1.880 14.417 possible 8117 11 . LDA C10 9 C4H2b 0.770 1.880 6.620 37.833 1.880 20.124 possible 8118 11 . LDA C11 9 C4H2b 0.770 1.880 2.846 24.363 1.880 12.959 [OK] 8119 11 . LDA C12 9 C4H2b 0.770 1.880 6.602 67.669 1.880 35.994 possible 8120 12 . LDA N1 14 N4H3u 0.700 1.640 2.083 4.414 1.640 2.692 [OK] 8121 12 . LDA O1 17 O2H1u 0.660 1.460 22.498 -1.000 1.460 -1.000 bad 8122 12 . LDA CM1 9 C4H2b 0.770 1.880 29.510 -1.000 1.880 -1.000 bad 8123 12 . LDA CM2 9 C4H2b 0.770 1.880 31.580 -1.000 1.880 -1.000 bad 8124 12 . LDA C1 9 C4H2b 0.770 1.880 3.300 24.330 1.880 12.942 possible 8125 12 . LDA C2 9 C4H2b 0.770 1.880 5.585 45.778 1.880 24.350 possible 8126 12 . LDA C3 9 C4H2b 0.770 1.880 3.727 26.911 1.880 14.314 possible 8127 12 . LDA C4 9 C4H2b 0.770 1.880 3.372 23.656 1.880 12.583 possible 8128 12 . LDA C5 9 C4H2b 0.770 1.880 3.199 28.354 1.880 15.082 possible 8129 12 . LDA C6 9 C4H2b 0.770 1.880 3.175 28.336 1.880 15.072 possible 8130 12 . LDA C7 9 C4H2b 0.770 1.880 3.218 27.279 1.880 14.510 possible 8131 12 . LDA C8 9 C4H2b 0.770 1.880 3.174 28.268 1.880 15.036 possible 8132 12 . LDA C9 9 C4H2b 0.770 1.880 3.098 27.500 1.880 14.628 possible 8133 12 . LDA C10 9 C4H2b 0.770 1.880 2.929 27.737 1.880 14.754 [OK] 8134 12 . LDA C11 9 C4H2b 0.770 1.880 2.950 24.996 1.880 13.296 [OK] 8135 12 . LDA C12 9 C4H2b 0.770 1.880 3.705 56.697 1.880 30.158 possible 8136 14 . LDA N1 14 N4H3u 0.700 1.640 2.098 4.520 1.640 2.756 [OK] 8137 14 . LDA O1 17 O2H1u 0.660 1.460 6.345 43.375 1.460 29.709 possible 8138 14 . LDA CM1 9 C4H2b 0.770 1.880 53.954 -1.000 1.880 -1.000 bad 8139 14 . LDA CM2 9 C4H2b 0.770 1.880 43.545 -1.000 1.880 -1.000 bad 8140 14 . LDA C1 9 C4H2b 0.770 1.880 11.714 -1.000 1.880 -1.000 bad 8141 14 . LDA C2 9 C4H2b 0.770 1.880 7.611 46.279 1.880 24.617 possible 8142 14 . LDA C3 9 C4H2b 0.770 1.880 17.807 -1.000 1.880 -1.000 bad 8143 14 . LDA C4 9 C4H2b 0.770 1.880 7.155 -1.000 1.880 -1.000 bad 8144 14 . LDA C5 9 C4H2b 0.770 1.880 14.078 -1.000 1.880 -1.000 bad 8145 14 . LDA C6 9 C4H2b 0.770 1.880 6.505 -1.000 1.880 -1.000 bad 8146 14 . LDA C7 9 C4H2b 0.770 1.880 18.603 -1.000 1.880 -1.000 bad 8147 14 . LDA C8 9 C4H2b 0.770 1.880 7.106 -1.000 1.880 -1.000 bad 8148 14 . LDA C9 9 C4H2b 0.770 1.880 14.192 -1.000 1.880 -1.000 bad 8149 14 . LDA C10 9 C4H2b 0.770 1.880 12.277 -1.000 1.880 -1.000 bad 8150 14 . LDA C11 9 C4H2b 0.770 1.880 12.891 -1.000 1.880 -1.000 bad 8151 14 . LDA C12 9 C4H2b 0.770 1.880 52.216 -1.000 1.880 -1.000 bad 8152 15 . LDA N1 14 N4H3u 0.700 1.640 2.123 4.562 1.640 2.782 [OK] 8153 15 . LDA O1 17 O2H1u 0.660 1.460 13.918 -1.000 1.460 -1.000 bad 8154 15 . LDA CM1 9 C4H2b 0.770 1.880 44.244 -1.000 1.880 -1.000 bad 8155 15 . LDA CM2 9 C4H2b 0.770 1.880 47.878 -1.000 1.880 -1.000 bad 8156 15 . LDA C1 9 C4H2b 0.770 1.880 2.916 19.896 1.880 10.583 [OK] 8157 15 . LDA C2 9 C4H2b 0.770 1.880 28.999 -1.000 1.880 -1.000 bad 8158 15 . LDA C3 9 C4H2b 0.770 1.880 20.295 -1.000 1.880 -1.000 bad 8159 15 . LDA C4 9 C4H2b 0.770 1.880 3.473 24.741 1.880 13.160 possible 8160 15 . LDA C5 9 C4H2b 0.770 1.880 3.072 26.570 1.880 14.133 possible 8161 15 . LDA C6 9 C4H2b 0.770 1.880 7.654 49.215 1.880 26.178 possible 8162 15 . LDA C7 9 C4H2b 0.770 1.880 3.135 25.865 1.880 13.758 possible 8163 15 . LDA C8 9 C4H2b 0.770 1.880 7.486 40.149 1.880 21.356 possible 8164 15 . LDA C9 9 C4H2b 0.770 1.880 14.526 -1.000 1.880 -1.000 bad 8165 15 . LDA C10 9 C4H2b 0.770 1.880 8.133 -1.000 1.880 -1.000 bad 8166 15 . LDA C11 9 C4H2b 0.770 1.880 28.559 -1.000 1.880 -1.000 bad 8167 15 . LDA C12 9 C4H2b 0.770 1.880 48.063 -1.000 1.880 -1.000 bad 8168 16 . LDA N1 14 N4H3u 0.700 1.640 2.154 4.689 1.640 2.859 [OK] 8169 16 . LDA O1 17 O2H1u 0.660 1.460 31.906 -1.000 1.460 -1.000 bad 8170 16 . LDA CM1 9 C4H2b 0.770 1.880 5.963 66.207 1.880 35.216 possible 8171 16 . LDA CM2 9 C4H2b 0.770 1.880 42.690 -1.000 1.880 -1.000 bad 8172 16 . LDA C1 9 C4H2b 0.770 1.880 7.412 -1.000 1.880 -1.000 bad 8173 16 . LDA C2 9 C4H2b 0.770 1.880 21.291 -1.000 1.880 -1.000 bad 8174 16 . LDA C3 9 C4H2b 0.770 1.880 12.457 -1.000 1.880 -1.000 bad 8175 16 . LDA C4 9 C4H2b 0.770 1.880 21.019 -1.000 1.880 -1.000 bad 8176 16 . LDA C5 9 C4H2b 0.770 1.880 5.690 30.132 1.880 16.028 possible 8177 16 . LDA C6 9 C4H2b 0.770 1.880 13.082 -1.000 1.880 -1.000 bad 8178 16 . LDA C7 9 C4H2b 0.770 1.880 3.701 22.902 1.880 12.182 possible 8179 16 . LDA C8 9 C4H2b 0.770 1.880 9.684 -1.000 1.880 -1.000 bad 8180 16 . LDA C9 9 C4H2b 0.770 1.880 3.255 22.482 1.880 11.958 possible 8181 16 . LDA C10 9 C4H2b 0.770 1.880 6.507 35.539 1.880 18.904 possible 8182 16 . LDA C11 9 C4H2b 0.770 1.880 3.253 27.456 1.880 14.604 possible 8183 16 . LDA C12 9 C4H2b 0.770 1.880 25.618 -1.000 1.880 -1.000 bad 8184 18 . LDA N1 14 N4H3u 0.700 1.640 2.177 4.621 1.640 2.818 [OK] 8185 18 . LDA O1 17 O2H1u 0.660 1.460 18.702 -1.000 1.460 -1.000 bad 8186 18 . LDA CM1 9 C4H2b 0.770 1.880 40.252 -1.000 1.880 -1.000 bad 8187 18 . LDA CM2 9 C4H2b 0.770 1.880 63.355 -1.000 1.880 -1.000 bad 8188 18 . LDA C1 9 C4H2b 0.770 1.880 15.331 -1.000 1.880 -1.000 bad 8189 18 . LDA C2 9 C4H2b 0.770 1.880 8.232 -1.000 1.880 -1.000 bad 8190 18 . LDA C3 9 C4H2b 0.770 1.880 21.715 -1.000 1.880 -1.000 bad 8191 18 . LDA C4 9 C4H2b 0.770 1.880 18.475 -1.000 1.880 -1.000 bad 8192 18 . LDA C5 9 C4H2b 0.770 1.880 11.397 -1.000 1.880 -1.000 bad 8193 18 . LDA C6 9 C4H2b 0.770 1.880 17.484 -1.000 1.880 -1.000 bad 8194 18 . LDA C7 9 C4H2b 0.770 1.880 4.358 -1.000 1.880 -1.000 bad 8195 18 . LDA C8 9 C4H2b 0.770 1.880 19.884 -1.000 1.880 -1.000 bad 8196 18 . LDA C9 9 C4H2b 0.770 1.880 5.124 -1.000 1.880 -1.000 bad 8197 18 . LDA C10 9 C4H2b 0.770 1.880 23.936 -1.000 1.880 -1.000 bad 8198 18 . LDA C11 9 C4H2b 0.770 1.880 9.543 -1.000 1.880 -1.000 bad 8199 18 . LDA C12 9 C4H2b 0.770 1.880 46.001 -1.000 1.880 -1.000 bad 8200 6 . HOH O 18 O2H2u 0.660 1.460 2.695 27.810 1.460 19.048 [OK] 8201 7 . HOH O 18 O2H2u 0.660 1.460 3.798 33.718 1.460 23.095 possible 8202 8 . HOH O 18 O2H2u 0.660 1.460 3.631 27.330 1.460 18.719 possible 8203 10 . HOH O 18 O2H2u 0.660 1.460 2.442 23.423 1.460 16.043 [OK] 8204 11 . HOH O 18 O2H2u 0.660 1.460 3.132 34.101 1.460 23.357 possible 8205 12 . HOH O 18 O2H2u 0.660 1.460 2.933 20.218 1.460 13.848 [OK] 8206 13 . HOH O 18 O2H2u 0.660 1.460 2.472 21.476 1.460 14.709 [OK] 8207 15 . HOH O 18 O2H2u 0.660 1.460 2.233 20.520 1.460 14.055 [OK] 8208 22 . HOH O 18 O2H2u 0.660 1.460 3.856 29.090 1.460 19.925 possible 8209 25 . HOH O 18 O2H2u 0.660 1.460 4.038 31.120 1.460 21.315 possible 8210 26 . HOH O 18 O2H2u 0.660 1.460 3.316 33.941 1.460 23.247 possible 8211 28 . HOH O 18 O2H2u 0.660 1.460 2.951 25.591 1.460 17.528 [OK] 8212 34 . HOH O 18 O2H2u 0.660 1.460 3.197 28.112 1.460 19.255 possible 8213 35 . HOH O 18 O2H2u 0.660 1.460 2.900 32.134 1.460 22.010 [OK] 8214 36 . HOH O 18 O2H2u 0.660 1.460 2.886 27.994 1.460 19.174 [OK] 8215 37 . HOH O 18 O2H2u 0.660 1.460 2.671 26.092 1.460 17.871 [OK] 8216 40 . HOH O 18 O2H2u 0.660 1.460 2.670 25.559 1.460 17.506 [OK] 8217 41 . HOH O 18 O2H2u 0.660 1.460 3.187 34.910 1.460 23.911 possible 8218 42 . HOH O 18 O2H2u 0.660 1.460 2.767 28.113 1.460 19.255 [OK] 8219 43 . HOH O 18 O2H2u 0.660 1.460 3.696 57.417 1.460 39.327 possible 8220 49 . HOH O 18 O2H2u 0.660 1.460 3.032 27.728 1.460 18.992 possible 8221 58 . HOH O 18 O2H2u 0.660 1.460 3.590 27.029 1.460 18.513 possible 8222 64 . HOH O 18 O2H2u 0.660 1.460 2.560 26.748 1.460 18.320 [OK] 8223 67 . HOH O 18 O2H2u 0.660 1.460 2.541 26.480 1.460 18.137 [OK] 8224 69 . HOH O 18 O2H2u 0.660 1.460 2.414 22.125 1.460 15.154 [OK] 8225 70 . HOH O 18 O2H2u 0.660 1.460 2.718 24.663 1.460 16.893 [OK] 8226 76 . HOH O 18 O2H2u 0.660 1.460 5.407 43.223 1.460 29.604 possible 8227 79 . HOH O 18 O2H2u 0.660 1.460 2.473 21.153 1.460 14.488 [OK] 8228 80 . HOH O 18 O2H2u 0.660 1.460 2.823 33.356 1.460 22.846 [OK] 8229 86 . HOH O 18 O2H2u 0.660 1.460 3.661 33.501 1.460 22.946 possible 8230 89 . HOH O 18 O2H2u 0.660 1.460 2.999 35.316 1.460 24.189 [OK] 8231 91 . HOH O 18 O2H2u 0.660 1.460 4.763 45.251 1.460 30.994 possible 8232 94 . HOH O 18 O2H2u 0.660 1.460 3.021 23.713 1.460 16.242 possible 8233 95 . HOH O 18 O2H2u 0.660 1.460 7.032 61.544 1.460 42.154 possible 8234 99 . HOH O 18 O2H2u 0.660 1.460 4.671 37.325 1.460 25.565 possible 8235 112 . HOH O 18 O2H2u 0.660 1.460 5.338 54.554 1.460 37.366 possible 8236 121 . HOH O 18 O2H2u 0.660 1.460 4.081 43.693 1.460 29.927 possible 8237 125 . HOH O 18 O2H2u 0.660 1.460 2.838 24.620 1.460 16.863 [OK] 8238 127 . HOH O 18 O2H2u 0.660 1.460 2.529 26.595 1.460 18.215 [OK] 8239 128 . HOH O 18 O2H2u 0.660 1.460 2.484 24.170 1.460 16.555 [OK] 8240 129 . HOH O 18 O2H2u 0.660 1.460 2.532 28.463 1.460 19.495 [OK] 8241 141 . HOH O 18 O2H2u 0.660 1.460 33.958 -1.000 1.460 -1.000 bad 8242 143 . HOH O 18 O2H2u 0.660 1.460 2.502 22.999 1.460 15.753 [OK] 8243 145 . HOH O 18 O2H2u 0.660 1.460 5.856 58.377 1.460 39.984 possible 8244 148 . HOH O 18 O2H2u 0.660 1.460 4.560 54.534 1.460 37.352 possible 8245 150 . HOH O 18 O2H2u 0.660 1.460 3.196 25.192 1.460 17.255 possible 8246 151 . HOH O 18 O2H2u 0.660 1.460 5.707 41.184 1.460 28.209 possible 8247 152 . HOH O 18 O2H2u 0.660 1.460 7.731 86.732 1.460 59.405 possible 8248 153 . HOH O 18 O2H2u 0.660 1.460 2.707 23.188 1.460 15.882 [OK] 8249 156 . HOH O 18 O2H2u 0.660 1.460 14.741 -1.000 1.460 -1.000 bad 8250 157 . HOH O 18 O2H2u 0.660 1.460 6.371 43.891 1.460 30.062 possible 8251 158 . HOH O 18 O2H2u 0.660 1.460 13.211 -1.000 1.460 -1.000 bad