number_ resnum chain resname atname typenum typenam covrad vdwrad surface volume refvol packeff goodbad 1 7 . ARG N 12 N3H1s 0.700 1.640 7.954 94.364 13.486 6.997 possible 2 7 . ARG CA 3 C4H1s 0.770 1.880 3.192 14.493 13.310 1.089 possible 3 7 . ARG C 1 C3H0s 0.770 1.610 2.940 8.955 8.779 1.020 [OK] 4 7 . ARG O 16 O1H0u 0.660 1.420 7.528 34.226 15.916 2.150 possible 5 7 . ARG CB 8 C4H2s 0.770 1.880 23.425 -1.000 22.833 -1.000 bad 6 7 . ARG CG 8 C4H2s 0.770 1.880 45.529 -1.000 23.273 -1.000 bad 7 8 . PRO N 11 N3H0u 0.700 1.640 3.068 8.591 8.650 0.993 possible 8 8 . PRO CA 4 C4H1b 0.770 1.880 11.995 -1.000 13.828 -1.000 bad 9 8 . PRO C 1 C3H0s 0.770 1.610 3.505 10.297 8.768 1.174 possible 10 8 . PRO O 16 O1H0u 0.660 1.420 5.429 30.680 15.856 1.935 possible 11 8 . PRO CB 9 C4H2b 0.770 1.880 13.381 -1.000 25.314 -1.000 bad 12 8 . PRO CG 9 C4H2b 0.770 1.880 36.200 -1.000 25.480 -1.000 bad 13 8 . PRO CD 8 C4H2s 0.770 1.880 12.670 -1.000 23.390 -1.000 bad 14 9 . GLU N 12 N3H1s 0.700 1.640 2.799 13.583 13.461 1.009 [OK] 15 9 . GLU CA 3 C4H1s 0.770 1.880 2.849 14.346 13.284 1.080 [OK] 16 9 . GLU C 1 C3H0s 0.770 1.610 2.569 9.739 8.631 1.128 [OK] 17 9 . GLU O 16 O1H0u 0.660 1.420 2.322 13.043 15.765 0.827 [OK] 18 9 . GLU CB 8 C4H2s 0.770 1.880 3.209 20.659 23.214 0.890 possible 19 9 . GLU CG 8 C4H2s 0.770 1.880 2.962 23.785 23.304 1.021 [OK] 20 9 . GLU CD 2 C3H0b 0.770 1.610 2.818 10.309 9.437 1.092 [OK] 21 9 . GLU OE1 16 O1H0u 0.660 1.420 3.934 26.018 15.497 1.679 possible 22 9 . GLU OE2 16 O1H0u 0.660 1.420 4.699 34.219 16.213 2.111 possible 23 10 . TRP N 12 N3H1s 0.700 1.640 3.023 16.350 13.639 1.199 possible 24 10 . TRP CA 3 C4H1s 0.770 1.880 3.028 12.994 13.323 0.975 possible 25 10 . TRP C 1 C3H0s 0.770 1.610 3.891 8.976 8.687 1.033 possible 26 10 . TRP O 16 O1H0u 0.660 1.420 3.976 19.820 15.797 1.255 possible 27 10 . TRP CB 8 C4H2s 0.770 1.880 5.987 62.491 23.826 2.623 possible 28 10 . TRP CG 2 C3H0b 0.770 1.610 3.951 13.100 9.915 1.321 possible 29 10 . TRP CD1 5 C3H1s 0.770 1.760 3.028 25.325 20.597 1.230 possible 30 10 . TRP CD2 2 C3H0b 0.770 1.610 3.877 11.659 10.068 1.158 possible 31 10 . TRP NE1 13 N3H1b 0.700 1.640 4.214 27.550 16.723 1.647 possible 32 10 . TRP CE2 2 C3H0b 0.770 1.610 2.701 10.341 9.848 1.050 [OK] 33 10 . TRP CE3 6 C3H1b 0.770 1.760 19.741 -1.000 20.383 -1.000 bad 34 10 . TRP CZ2 6 C3H1b 0.770 1.760 22.994 -1.000 20.931 -1.000 bad 35 10 . TRP CZ3 6 C3H1b 0.770 1.760 23.197 -1.000 21.429 -1.000 bad 36 10 . TRP CH2 6 C3H1b 0.770 1.760 25.465 -1.000 21.219 -1.000 bad 37 11 . ILE N 12 N3H1s 0.700 1.640 4.284 22.449 13.493 1.664 possible 38 11 . ILE CA 3 C4H1s 0.770 1.880 4.066 14.748 12.946 1.139 possible 39 11 . ILE C 1 C3H0s 0.770 1.610 2.474 8.290 8.445 0.982 [OK] 40 11 . ILE O 16 O1H0u 0.660 1.420 2.656 16.741 15.930 1.051 [OK] 41 11 . ILE CB 4 C4H1b 0.770 1.880 10.036 -1.000 14.146 -1.000 bad 42 11 . ILE CG1 9 C4H2b 0.770 1.880 19.415 -1.000 24.071 -1.000 bad 43 11 . ILE CG2 10 C4H3u 0.770 1.880 18.198 -1.000 35.763 -1.000 bad 44 11 . ILE CD1 10 C4H3u 0.770 1.880 44.061 -1.000 38.219 -1.000 bad 45 12 . TRP N 12 N3H1s 0.700 1.640 2.620 12.414 13.639 0.910 [OK] 46 12 . TRP CA 3 C4H1s 0.770 1.880 3.136 14.737 13.323 1.106 possible 47 12 . TRP C 1 C3H0s 0.770 1.610 2.711 9.222 8.687 1.062 [OK] 48 12 . TRP O 16 O1H0u 0.660 1.420 2.819 19.790 15.797 1.253 [OK] 49 12 . TRP CB 8 C4H2s 0.770 1.880 3.212 24.268 23.826 1.019 possible 50 12 . TRP CG 2 C3H0b 0.770 1.610 2.458 9.519 9.915 0.960 [OK] 51 12 . TRP CD1 5 C3H1s 0.770 1.760 2.711 21.250 20.597 1.032 [OK] 52 12 . TRP CD2 2 C3H0b 0.770 1.610 2.443 9.125 10.068 0.906 [OK] 53 12 . TRP NE1 13 N3H1b 0.700 1.640 4.320 30.544 16.723 1.826 possible 54 12 . TRP CE2 2 C3H0b 0.770 1.610 2.916 9.331 9.848 0.948 [OK] 55 12 . TRP CE3 6 C3H1b 0.770 1.760 3.269 23.457 20.383 1.151 possible 56 12 . TRP CZ2 6 C3H1b 0.770 1.760 21.545 -1.000 20.931 -1.000 bad 57 12 . TRP CZ3 6 C3H1b 0.770 1.760 11.890 -1.000 21.429 -1.000 bad 58 12 . TRP CH2 6 C3H1b 0.770 1.760 26.434 -1.000 21.219 -1.000 bad 59 13 . LEU N 12 N3H1s 0.700 1.640 2.698 12.180 13.517 0.901 [OK] 60 13 . LEU CA 3 C4H1s 0.770 1.880 3.326 16.825 13.055 1.289 possible 61 13 . LEU C 1 C3H0s 0.770 1.610 2.734 9.394 8.781 1.070 [OK] 62 13 . LEU O 16 O1H0u 0.660 1.420 2.703 18.287 15.957 1.146 [OK] 63 13 . LEU CB 8 C4H2s 0.770 1.880 3.031 21.974 22.818 0.963 possible 64 13 . LEU CG 4 C4H1b 0.770 1.880 3.326 15.731 14.704 1.070 possible 65 13 . LEU CD1 10 C4H3u 0.770 1.880 3.319 40.339 37.235 1.083 possible 66 13 . LEU CD2 10 C4H3u 0.770 1.880 3.168 36.595 37.020 0.989 possible 67 14 . ALA N 12 N3H1s 0.700 1.640 2.568 13.342 13.872 0.962 [OK] 68 14 . ALA CA 4 C4H1b 0.770 1.880 2.915 12.705 13.959 0.910 [OK] 69 14 . ALA C 1 C3H0s 0.770 1.610 3.958 9.152 8.858 1.033 possible 70 14 . ALA O 16 O1H0u 0.660 1.420 4.551 28.265 16.026 1.764 possible 71 14 . ALA CB 10 C4H3u 0.770 1.880 5.692 89.530 36.551 2.449 possible 72 15 . LEU N 12 N3H1s 0.700 1.640 4.085 15.946 13.517 1.180 possible 73 15 . LEU CA 3 C4H1s 0.770 1.880 4.532 16.419 13.055 1.258 possible 74 15 . LEU C 1 C3H0s 0.770 1.610 2.436 8.416 8.781 0.958 [OK] 75 15 . LEU O 16 O1H0u 0.660 1.420 2.444 14.428 15.957 0.904 [OK] 76 15 . LEU CB 8 C4H2s 0.770 1.880 3.501 23.470 22.818 1.029 possible 77 15 . LEU CG 4 C4H1b 0.770 1.880 3.220 16.205 14.704 1.102 possible 78 15 . LEU CD1 10 C4H3u 0.770 1.880 41.345 -1.000 37.235 -1.000 bad 79 15 . LEU CD2 10 C4H3u 0.770 1.880 28.594 -1.000 37.020 -1.000 bad 80 16 . GLY N 12 N3H1s 0.700 1.640 2.522 12.575 14.480 0.868 [OK] 81 16 . GLY CA 8 C4H2s 0.770 1.880 3.047 22.411 23.470 0.955 possible 82 16 . GLY C 2 C3H0b 0.770 1.610 2.628 9.757 9.652 1.011 [OK] 83 16 . GLY O 16 O1H0u 0.660 1.420 2.887 18.732 16.154 1.160 [OK] 84 17 . THR N 12 N3H1s 0.700 1.640 2.567 12.342 13.544 0.911 [OK] 85 17 . THR CA 3 C4H1s 0.770 1.880 2.811 14.557 13.025 1.118 [OK] 86 17 . THR C 1 C3H0s 0.770 1.610 2.813 9.318 8.685 1.073 [OK] 87 17 . THR O 16 O1H0u 0.660 1.420 2.885 15.882 15.795 1.006 [OK] 88 17 . THR CB 4 C4H1b 0.770 1.880 3.420 18.966 14.687 1.291 possible 89 17 . THR OG1 17 O2H1u 0.660 1.460 3.553 21.760 17.610 1.236 possible 90 17 . THR CG2 10 C4H3u 0.770 1.880 3.052 31.436 36.265 0.867 possible 91 18 . ALA N 12 N3H1s 0.700 1.640 3.120 13.607 13.872 0.981 possible 92 18 . ALA CA 4 C4H1b 0.770 1.880 4.285 21.470 13.959 1.538 possible 93 18 . ALA C 1 C3H0s 0.770 1.610 2.894 8.905 8.858 1.005 [OK] 94 18 . ALA O 16 O1H0u 0.660 1.420 4.778 27.661 16.026 1.726 possible 95 18 . ALA CB 10 C4H3u 0.770 1.880 36.168 -1.000 36.551 -1.000 bad 96 19 . LEU N 12 N3H1s 0.700 1.640 2.547 12.571 13.517 0.930 [OK] 97 19 . LEU CA 3 C4H1s 0.770 1.880 2.984 13.109 13.055 1.004 [OK] 98 19 . LEU C 1 C3H0s 0.770 1.610 2.605 9.650 8.781 1.099 [OK] 99 19 . LEU O 16 O1H0u 0.660 1.420 2.764 23.123 15.957 1.449 [OK] 100 19 . LEU CB 8 C4H2s 0.770 1.880 3.358 26.329 22.818 1.154 possible 101 19 . LEU CG 4 C4H1b 0.770 1.880 2.847 14.384 14.704 0.978 [OK] 102 19 . LEU CD1 10 C4H3u 0.770 1.880 23.189 -1.000 37.235 -1.000 bad 103 19 . LEU CD2 10 C4H3u 0.770 1.880 35.967 -1.000 37.020 -1.000 bad 104 20 . MET N 12 N3H1s 0.700 1.640 2.495 12.295 13.405 0.917 [OK] 105 20 . MET CA 3 C4H1s 0.770 1.880 2.881 15.051 13.194 1.141 [OK] 106 20 . MET C 1 C3H0s 0.770 1.610 2.444 8.988 8.756 1.026 [OK] 107 20 . MET O 16 O1H0u 0.660 1.420 2.627 19.259 16.002 1.204 [OK] 108 20 . MET CB 8 C4H2s 0.770 1.880 2.809 23.963 23.418 1.023 [OK] 109 20 . MET CG 9 C4H2b 0.770 1.880 3.138 18.964 23.830 0.796 possible 110 20 . MET SD 19 S2H0u 1.040 1.770 3.279 37.275 30.207 1.234 possible 111 20 . MET CE 10 C4H3u 0.770 1.880 2.874 31.737 37.003 0.858 [OK] 112 21 . GLY N 12 N3H1s 0.700 1.640 2.298 11.535 14.480 0.797 [OK] 113 21 . GLY CA 8 C4H2s 0.770 1.880 4.265 35.558 23.470 1.515 possible 114 21 . GLY C 2 C3H0b 0.770 1.610 2.780 9.635 9.652 0.998 [OK] 115 21 . GLY O 16 O1H0u 0.660 1.420 16.402 -1.000 16.154 -1.000 bad 116 22 . LEU N 12 N3H1s 0.700 1.640 2.784 14.310 13.517 1.059 [OK] 117 22 . LEU CA 3 C4H1s 0.770 1.880 3.438 16.855 13.055 1.291 possible 118 22 . LEU C 1 C3H0s 0.770 1.610 2.801 8.500 8.781 0.968 [OK] 119 22 . LEU O 16 O1H0u 0.660 1.420 2.838 15.145 15.957 0.949 [OK] 120 22 . LEU CB 8 C4H2s 0.770 1.880 3.269 22.946 22.818 1.006 possible 121 22 . LEU CG 4 C4H1b 0.770 1.880 3.218 14.539 14.704 0.989 possible 122 22 . LEU CD1 10 C4H3u 0.770 1.880 44.189 -1.000 37.235 -1.000 bad 123 22 . LEU CD2 10 C4H3u 0.770 1.880 21.509 -1.000 37.020 -1.000 bad 124 23 . GLY N 12 N3H1s 0.700 1.640 2.833 17.768 14.480 1.227 [OK] 125 23 . GLY CA 8 C4H2s 0.770 1.880 3.840 31.341 23.470 1.335 possible 126 23 . GLY C 2 C3H0b 0.770 1.610 2.676 9.675 9.652 1.002 [OK] 127 23 . GLY O 16 O1H0u 0.660 1.420 2.578 14.793 16.154 0.916 [OK] 128 24 . THR N 12 N3H1s 0.700 1.640 2.753 15.261 13.544 1.127 [OK] 129 24 . THR CA 3 C4H1s 0.770 1.880 3.049 16.533 13.025 1.269 possible 130 24 . THR C 1 C3H0s 0.770 1.610 2.703 8.512 8.685 0.980 [OK] 131 24 . THR O 16 O1H0u 0.660 1.420 2.626 15.827 15.795 1.002 [OK] 132 24 . THR CB 4 C4H1b 0.770 1.880 4.213 22.183 14.687 1.510 possible 133 24 . THR OG1 17 O2H1u 0.660 1.460 2.956 22.539 17.610 1.280 [OK] 134 24 . THR CG2 10 C4H3u 0.770 1.880 4.609 61.718 36.265 1.702 possible 135 25 . LEU N 12 N3H1s 0.700 1.640 2.777 13.751 13.517 1.017 [OK] 136 25 . LEU CA 3 C4H1s 0.770 1.880 3.433 14.105 13.055 1.080 possible 137 25 . LEU C 1 C3H0s 0.770 1.610 3.290 9.755 8.781 1.111 possible 138 25 . LEU O 16 O1H0u 0.660 1.420 4.256 29.100 15.957 1.824 possible 139 25 . LEU CB 8 C4H2s 0.770 1.880 4.337 27.443 22.818 1.203 possible 140 25 . LEU CG 4 C4H1b 0.770 1.880 4.116 19.370 14.704 1.317 possible 141 25 . LEU CD1 10 C4H3u 0.770 1.880 35.588 -1.000 37.235 -1.000 bad 142 25 . LEU CD2 10 C4H3u 0.770 1.880 51.307 -1.000 37.020 -1.000 bad 143 26 . TYR N 12 N3H1s 0.700 1.640 3.362 13.614 13.473 1.010 possible 144 26 . TYR CA 3 C4H1s 0.770 1.880 4.150 17.823 13.249 1.345 possible 145 26 . TYR C 1 C3H0s 0.770 1.610 3.721 9.821 8.714 1.127 possible 146 26 . TYR O 16 O1H0u 0.660 1.420 3.679 26.671 15.901 1.677 possible 147 26 . TYR CB 8 C4H2s 0.770 1.880 4.110 35.307 23.426 1.507 possible 148 26 . TYR CG 2 C3H0b 0.770 1.610 3.877 14.368 9.695 1.482 possible 149 26 . TYR CD1 5 C3H1s 0.770 1.760 4.585 56.766 20.057 2.830 possible 150 26 . TYR CD2 5 C3H1s 0.770 1.760 4.165 29.770 20.578 1.447 possible 151 26 . TYR CE1 5 C3H1s 0.770 1.760 34.585 -1.000 20.534 -1.000 bad 152 26 . TYR CE2 5 C3H1s 0.770 1.760 5.550 42.597 20.577 2.070 possible 153 26 . TYR CZ 2 C3H0b 0.770 1.610 5.225 20.918 9.888 2.116 possible 154 26 . TYR OH 17 O2H1u 0.660 1.460 48.627 -1.000 18.541 -1.000 bad 155 27 . PHE N 12 N3H1s 0.700 1.640 3.172 13.800 13.524 1.020 possible 156 27 . PHE CA 3 C4H1s 0.770 1.880 3.615 15.983 13.371 1.195 possible 157 27 . PHE C 1 C3H0s 0.770 1.610 2.458 8.930 8.697 1.027 [OK] 158 27 . PHE O 16 O1H0u 0.660 1.420 3.057 24.516 15.961 1.536 possible 159 27 . PHE CB 8 C4H2s 0.770 1.880 3.394 24.009 23.623 1.016 possible 160 27 . PHE CG 2 C3H0b 0.770 1.610 2.791 10.435 9.684 1.078 [OK] 161 27 . PHE CD1 5 C3H1s 0.770 1.760 4.001 37.697 20.325 1.855 possible 162 27 . PHE CD2 6 C3H1b 0.770 1.760 3.257 25.212 20.948 1.204 possible 163 27 . PHE CE1 6 C3H1b 0.770 1.760 3.608 26.057 21.532 1.210 possible 164 27 . PHE CE2 6 C3H1b 0.770 1.760 3.599 28.131 21.625 1.301 possible 165 27 . PHE CZ 6 C3H1b 0.770 1.760 3.388 20.637 21.555 0.957 possible 166 28 . LEU N 12 N3H1s 0.700 1.640 2.684 14.529 13.517 1.075 [OK] 167 28 . LEU CA 3 C4H1s 0.770 1.880 3.399 13.721 13.055 1.051 possible 168 28 . LEU C 1 C3H0s 0.770 1.610 3.689 9.628 8.781 1.096 possible 169 28 . LEU O 16 O1H0u 0.660 1.420 10.098 -1.000 15.957 -1.000 bad 170 28 . LEU CB 8 C4H2s 0.770 1.880 6.766 38.691 22.818 1.696 possible 171 28 . LEU CG 4 C4H1b 0.770 1.880 3.316 13.017 14.704 0.885 possible 172 28 . LEU CD1 10 C4H3u 0.770 1.880 36.549 -1.000 37.235 -1.000 bad 173 28 . LEU CD2 10 C4H3u 0.770 1.880 27.301 -1.000 37.020 -1.000 bad 174 29 . VAL N 12 N3H1s 0.700 1.640 3.257 13.549 13.553 1.000 possible 175 29 . VAL CA 3 C4H1s 0.770 1.880 6.626 -1.000 13.078 -1.000 bad 176 29 . VAL C 1 C3H0s 0.770 1.610 2.834 8.477 8.528 0.994 [OK] 177 29 . VAL O 16 O1H0u 0.660 1.420 21.782 -1.000 15.998 -1.000 bad 178 29 . VAL CB 4 C4H1b 0.770 1.880 4.249 20.303 14.514 1.399 possible 179 29 . VAL CG1 10 C4H3u 0.770 1.880 56.535 -1.000 36.320 -1.000 bad 180 29 . VAL CG2 10 C4H3u 0.770 1.880 40.894 -1.000 36.173 -1.000 bad 181 30 . LYS N 12 N3H1s 0.700 1.640 3.674 17.685 13.429 1.317 possible 182 30 . LYS CA 3 C4H1s 0.770 1.880 6.231 26.538 13.217 2.008 possible 183 30 . LYS C 1 C3H0s 0.770 1.610 2.716 9.004 8.696 1.035 [OK] 184 30 . LYS O 16 O1H0u 0.660 1.420 7.357 45.859 15.818 2.899 possible 185 30 . LYS CB 8 C4H2s 0.770 1.880 4.414 44.031 22.578 1.950 possible 186 30 . LYS CG 8 C4H2s 0.770 1.880 18.998 -1.000 22.847 -1.000 bad 187 30 . LYS CD 8 C4H2s 0.770 1.880 3.748 27.166 23.365 1.163 possible 188 30 . LYS CE 9 C4H2b 0.770 1.880 26.946 -1.000 23.720 -1.000 bad 189 30 . LYS NZ 14 N4H3u 0.700 1.640 5.301 -1.000 21.413 -1.000 bad 190 31 . GLY N 12 N3H1s 0.700 1.640 3.084 17.090 14.480 1.180 possible 191 31 . GLY CA 8 C4H2s 0.770 1.880 3.824 38.752 23.470 1.651 possible 192 31 . GLY C 2 C3H0b 0.770 1.610 2.702 9.421 9.652 0.976 [OK] 193 31 . GLY O 16 O1H0u 0.660 1.420 5.572 34.314 16.154 2.124 possible 194 32 . MET N 12 N3H1s 0.700 1.640 3.268 16.065 13.405 1.198 possible 195 32 . MET CA 3 C4H1s 0.770 1.880 3.204 14.461 13.194 1.096 possible 196 32 . MET C 1 C3H0s 0.770 1.610 3.274 10.191 8.756 1.164 possible 197 32 . MET O 16 O1H0u 0.660 1.420 17.466 -1.000 16.002 -1.000 bad 198 32 . MET CB 8 C4H2s 0.770 1.880 19.562 -1.000 23.418 -1.000 bad 199 32 . MET CG 9 C4H2b 0.770 1.880 19.233 -1.000 23.830 -1.000 bad 200 32 . MET SD 19 S2H0u 1.040 1.770 4.320 57.550 30.207 1.905 possible 201 32 . MET CE 10 C4H3u 0.770 1.880 53.863 -1.000 37.003 -1.000 bad 202 33 . GLY N 12 N3H1s 0.700 1.640 3.364 17.249 14.480 1.191 possible 203 33 . GLY CA 8 C4H2s 0.770 1.880 33.636 -1.000 23.470 -1.000 bad 204 33 . GLY C 2 C3H0b 0.770 1.610 5.021 13.705 9.652 1.420 possible 205 33 . GLY O 16 O1H0u 0.660 1.420 4.913 36.877 16.154 2.283 possible 206 34 . VAL N 12 N3H1s 0.700 1.640 5.388 22.078 13.553 1.629 possible 207 34 . VAL CA 3 C4H1s 0.770 1.880 3.449 14.388 13.078 1.100 possible 208 34 . VAL C 1 C3H0s 0.770 1.610 3.790 12.184 8.528 1.429 possible 209 34 . VAL O 16 O1H0u 0.660 1.420 27.212 -1.000 15.998 -1.000 bad 210 34 . VAL CB 4 C4H1b 0.770 1.880 11.870 -1.000 14.514 -1.000 bad 211 34 . VAL CG1 10 C4H3u 0.770 1.880 27.696 -1.000 36.320 -1.000 bad 212 34 . VAL CG2 10 C4H3u 0.770 1.880 52.181 -1.000 36.173 -1.000 bad 213 35 . SER N 12 N3H1s 0.700 1.640 3.146 16.644 13.808 1.205 possible 214 35 . SER CA 3 C4H1s 0.770 1.880 6.325 23.623 13.351 1.769 possible 215 35 . SER C 1 C3H0s 0.770 1.610 3.719 10.390 8.858 1.173 possible 216 35 . SER O 16 O1H0u 0.660 1.420 27.489 -1.000 15.860 -1.000 bad 217 35 . SER CB 8 C4H2s 0.770 1.880 32.779 -1.000 23.599 -1.000 bad 218 35 . SER OG 17 O2H1u 0.660 1.460 29.173 -1.000 18.021 -1.000 bad 219 36 . ASP N 12 N3H1s 0.700 1.640 3.514 16.826 13.654 1.232 possible 220 36 . ASP CA 3 C4H1s 0.770 1.880 3.146 12.870 13.254 0.971 possible 221 36 . ASP C 1 C3H0s 0.770 1.610 3.572 10.497 8.750 1.200 possible 222 36 . ASP O 16 O1H0u 0.660 1.420 3.047 18.468 15.757 1.172 possible 223 36 . ASP CB 8 C4H2s 0.770 1.880 4.359 33.326 23.022 1.448 possible 224 36 . ASP CG 2 C3H0b 0.770 1.610 6.218 15.499 9.336 1.660 possible 225 36 . ASP OD1 16 O1H0u 0.660 1.420 35.285 -1.000 15.078 -1.000 bad 226 36 . ASP OD2 16 O1H0u 0.660 1.420 28.281 -1.000 15.582 -1.000 bad 227 37 . PRO N 11 N3H0u 0.700 1.640 3.715 10.120 8.650 1.170 possible 228 37 . PRO CA 4 C4H1b 0.770 1.880 5.130 25.352 13.828 1.833 possible 229 37 . PRO C 1 C3H0s 0.770 1.610 2.899 9.059 8.768 1.033 [OK] 230 37 . PRO O 16 O1H0u 0.660 1.420 5.555 -1.000 15.856 -1.000 bad 231 37 . PRO CB 9 C4H2b 0.770 1.880 30.296 -1.000 25.314 -1.000 bad 232 37 . PRO CG 9 C4H2b 0.770 1.880 43.220 -1.000 25.480 -1.000 bad 233 37 . PRO CD 8 C4H2s 0.770 1.880 21.795 -1.000 23.390 -1.000 bad 234 38 . ASP N 12 N3H1s 0.700 1.640 3.002 13.763 13.654 1.008 possible 235 38 . ASP CA 3 C4H1s 0.770 1.880 2.968 14.066 13.254 1.061 [OK] 236 38 . ASP C 1 C3H0s 0.770 1.610 3.090 9.096 8.750 1.040 possible 237 38 . ASP O 16 O1H0u 0.660 1.420 2.559 14.027 15.757 0.890 [OK] 238 38 . ASP CB 8 C4H2s 0.770 1.880 6.112 52.370 23.022 2.275 possible 239 38 . ASP CG 2 C3H0b 0.770 1.610 3.847 15.029 9.336 1.610 possible 240 38 . ASP OD1 16 O1H0u 0.660 1.420 20.358 -1.000 15.078 -1.000 bad 241 38 . ASP OD2 16 O1H0u 0.660 1.420 47.541 -1.000 15.582 -1.000 bad 242 39 . ALA N 12 N3H1s 0.700 1.640 4.678 17.429 13.872 1.256 possible 243 39 . ALA CA 4 C4H1b 0.770 1.880 4.781 21.048 13.959 1.508 possible 244 39 . ALA C 1 C3H0s 0.770 1.610 2.907 9.018 8.858 1.018 [OK] 245 39 . ALA O 16 O1H0u 0.660 1.420 3.192 15.345 16.026 0.958 possible 246 39 . ALA CB 10 C4H3u 0.770 1.880 20.607 -1.000 36.551 -1.000 bad 247 40 . LYS N 12 N3H1s 0.700 1.640 3.238 14.749 13.429 1.098 possible 248 40 . LYS CA 3 C4H1s 0.770 1.880 2.717 12.904 13.217 0.976 [OK] 249 40 . LYS C 1 C3H0s 0.770 1.610 4.252 9.382 8.696 1.079 possible 250 40 . LYS O 16 O1H0u 0.660 1.420 4.398 22.201 15.818 1.404 possible 251 40 . LYS CB 8 C4H2s 0.770 1.880 12.704 -1.000 22.578 -1.000 bad 252 40 . LYS CG 8 C4H2s 0.770 1.880 6.045 36.343 22.847 1.591 possible 253 40 . LYS CD 8 C4H2s 0.770 1.880 7.749 61.259 23.365 2.622 possible 254 40 . LYS CE 9 C4H2b 0.770 1.880 5.280 40.384 23.720 1.703 possible 255 40 . LYS NZ 14 N4H3u 0.700 1.640 3.093 29.475 21.413 1.377 possible 256 41 . LYS N 12 N3H1s 0.700 1.640 4.904 18.795 13.429 1.400 possible 257 41 . LYS CA 3 C4H1s 0.770 1.880 7.048 25.974 13.217 1.965 possible 258 41 . LYS C 1 C3H0s 0.770 1.610 3.490 9.146 8.696 1.052 possible 259 41 . LYS O 16 O1H0u 0.660 1.420 3.749 24.744 15.818 1.564 possible 260 41 . LYS CB 8 C4H2s 0.770 1.880 21.494 -1.000 22.578 -1.000 bad 261 41 . LYS CG 8 C4H2s 0.770 1.880 3.612 22.430 22.847 0.982 possible 262 41 . LYS CD 8 C4H2s 0.770 1.880 4.279 40.647 23.365 1.740 possible 263 41 . LYS CE 9 C4H2b 0.770 1.880 33.550 -1.000 23.720 -1.000 bad 264 41 . LYS NZ 14 N4H3u 0.700 1.640 30.544 -1.000 21.413 -1.000 bad 265 42 . PHE N 12 N3H1s 0.700 1.640 3.526 13.969 13.524 1.033 possible 266 42 . PHE CA 3 C4H1s 0.770 1.880 3.874 16.368 13.371 1.224 possible 267 42 . PHE C 1 C3H0s 0.770 1.610 3.461 9.401 8.697 1.081 possible 268 42 . PHE O 16 O1H0u 0.660 1.420 3.227 21.753 15.961 1.363 possible 269 42 . PHE CB 8 C4H2s 0.770 1.880 5.274 42.100 23.623 1.782 possible 270 42 . PHE CG 2 C3H0b 0.770 1.610 4.874 14.212 9.684 1.468 possible 271 42 . PHE CD1 5 C3H1s 0.770 1.760 3.801 23.386 20.325 1.151 possible 272 42 . PHE CD2 6 C3H1b 0.770 1.760 5.813 32.251 20.948 1.540 possible 273 42 . PHE CE1 6 C3H1b 0.770 1.760 3.053 19.496 21.532 0.905 possible 274 42 . PHE CE2 6 C3H1b 0.770 1.760 5.826 43.615 21.625 2.017 possible 275 42 . PHE CZ 6 C3H1b 0.770 1.760 3.224 22.002 21.555 1.021 possible 276 43 . TYR N 12 N3H1s 0.700 1.640 3.189 14.531 13.473 1.078 possible 277 43 . TYR CA 3 C4H1s 0.770 1.880 3.567 16.529 13.249 1.248 possible 278 43 . TYR C 1 C3H0s 0.770 1.610 3.427 9.606 8.714 1.102 possible 279 43 . TYR O 16 O1H0u 0.660 1.420 3.135 19.480 15.901 1.225 possible 280 43 . TYR CB 8 C4H2s 0.770 1.880 3.550 31.409 23.426 1.341 possible 281 43 . TYR CG 2 C3H0b 0.770 1.610 3.018 11.140 9.695 1.149 possible 282 43 . TYR CD1 5 C3H1s 0.770 1.760 3.643 40.598 20.057 2.024 possible 283 43 . TYR CD2 5 C3H1s 0.770 1.760 3.277 23.218 20.578 1.128 possible 284 43 . TYR CE1 5 C3H1s 0.770 1.760 4.281 29.916 20.534 1.457 possible 285 43 . TYR CE2 5 C3H1s 0.770 1.760 4.172 36.410 20.577 1.769 possible 286 43 . TYR CZ 2 C3H0b 0.770 1.610 4.170 14.995 9.888 1.516 possible 287 43 . TYR OH 17 O2H1u 0.660 1.460 7.603 106.579 18.541 5.748 possible 288 44 . ALA N 12 N3H1s 0.700 1.640 3.475 17.163 13.872 1.237 possible 289 44 . ALA CA 4 C4H1b 0.770 1.880 4.041 25.821 13.959 1.850 possible 290 44 . ALA C 1 C3H0s 0.770 1.610 2.656 8.472 8.858 0.956 [OK] 291 44 . ALA O 16 O1H0u 0.660 1.420 3.390 17.758 16.026 1.108 possible 292 44 . ALA CB 10 C4H3u 0.770 1.880 35.396 -1.000 36.551 -1.000 bad 293 45 . ILE N 12 N3H1s 0.700 1.640 2.989 15.196 13.493 1.126 [OK] 294 45 . ILE CA 3 C4H1s 0.770 1.880 3.024 14.552 12.946 1.124 possible 295 45 . ILE C 1 C3H0s 0.770 1.610 2.361 7.530 8.445 0.892 [OK] 296 45 . ILE O 16 O1H0u 0.660 1.420 2.612 15.256 15.930 0.958 [OK] 297 45 . ILE CB 4 C4H1b 0.770 1.880 3.100 15.536 14.146 1.098 possible 298 45 . ILE CG1 9 C4H2b 0.770 1.880 7.199 52.527 24.071 2.182 possible 299 45 . ILE CG2 10 C4H3u 0.770 1.880 3.161 36.958 35.763 1.033 possible 300 45 . ILE CD1 10 C4H3u 0.770 1.880 6.344 66.290 38.219 1.734 possible 301 46 . THR N 12 N3H1s 0.700 1.640 2.414 13.352 13.544 0.986 [OK] 302 46 . THR CA 3 C4H1s 0.770 1.880 2.989 14.803 13.025 1.137 [OK] 303 46 . THR C 1 C3H0s 0.770 1.610 2.641 9.822 8.685 1.131 [OK] 304 46 . THR O 16 O1H0u 0.660 1.420 3.292 24.245 15.795 1.535 possible 305 46 . THR CB 4 C4H1b 0.770 1.880 3.724 21.329 14.687 1.452 possible 306 46 . THR OG1 17 O2H1u 0.660 1.460 3.138 24.684 17.610 1.402 possible 307 46 . THR CG2 10 C4H3u 0.770 1.880 3.512 47.338 36.265 1.305 possible 308 47 . THR N 12 N3H1s 0.700 1.640 2.399 12.267 13.544 0.906 [OK] 309 47 . THR CA 3 C4H1s 0.770 1.880 3.094 15.596 13.025 1.197 possible 310 47 . THR C 1 C3H0s 0.770 1.610 2.355 8.450 8.685 0.973 [OK] 311 47 . THR O 16 O1H0u 0.660 1.420 2.961 19.809 15.795 1.254 [OK] 312 47 . THR CB 4 C4H1b 0.770 1.880 3.862 17.587 14.687 1.197 possible 313 47 . THR OG1 17 O2H1u 0.660 1.460 3.378 25.716 17.610 1.460 possible 314 47 . THR CG2 10 C4H3u 0.770 1.880 3.926 43.268 36.265 1.193 possible 315 48 . LEU N 12 N3H1s 0.700 1.640 2.251 11.540 13.517 0.854 [OK] 316 48 . LEU CA 3 C4H1s 0.770 1.880 3.489 14.662 13.055 1.123 possible 317 48 . LEU C 1 C3H0s 0.770 1.610 2.806 9.329 8.781 1.062 [OK] 318 48 . LEU O 16 O1H0u 0.660 1.420 3.406 16.000 15.957 1.003 possible 319 48 . LEU CB 8 C4H2s 0.770 1.880 3.193 26.936 22.818 1.180 possible 320 48 . LEU CG 4 C4H1b 0.770 1.880 6.560 33.999 14.704 2.312 possible 321 48 . LEU CD1 10 C4H3u 0.770 1.880 7.037 77.929 37.235 2.093 possible 322 48 . LEU CD2 10 C4H3u 0.770 1.880 41.928 -1.000 37.020 -1.000 bad 323 49 . VAL N 12 N3H1s 0.700 1.640 2.854 13.641 13.553 1.006 [OK] 324 49 . VAL CA 3 C4H1s 0.770 1.880 3.209 15.603 13.078 1.193 possible 325 49 . VAL C 1 C3H0s 0.770 1.610 2.321 7.609 8.528 0.892 [OK] 326 49 . VAL O 16 O1H0u 0.660 1.420 2.700 19.530 15.998 1.221 [OK] 327 49 . VAL CB 4 C4H1b 0.770 1.880 3.000 15.264 14.514 1.052 possible 328 49 . VAL CG1 10 C4H3u 0.770 1.880 3.403 34.696 36.320 0.955 possible 329 49 . VAL CG2 10 C4H3u 0.770 1.880 3.299 41.078 36.173 1.136 possible 330 50 . PRO N 11 N3H0u 0.700 1.640 2.411 7.832 8.650 0.905 [OK] 331 50 . PRO CA 4 C4H1b 0.770 1.880 2.619 13.404 13.828 0.969 [OK] 332 50 . PRO C 1 C3H0s 0.770 1.610 2.227 8.865 8.768 1.011 [OK] 333 50 . PRO O 16 O1H0u 0.660 1.420 2.398 16.674 15.856 1.052 [OK] 334 50 . PRO CB 9 C4H2b 0.770 1.880 3.173 29.859 25.314 1.180 possible 335 50 . PRO CG 9 C4H2b 0.770 1.880 3.513 35.451 25.480 1.391 possible 336 50 . PRO CD 8 C4H2s 0.770 1.880 3.472 26.902 23.390 1.150 possible 337 51 . ALA N 12 N3H1s 0.700 1.640 2.528 13.011 13.872 0.938 [OK] 338 51 . ALA CA 4 C4H1b 0.770 1.880 3.537 15.137 13.959 1.084 possible 339 51 . ALA C 1 C3H0s 0.770 1.610 3.666 9.691 8.858 1.094 possible 340 51 . ALA O 16 O1H0u 0.660 1.420 4.313 24.151 16.026 1.507 possible 341 51 . ALA CB 10 C4H3u 0.770 1.880 4.585 50.240 36.551 1.375 possible 342 52 . ILE N 12 N3H1s 0.700 1.640 3.131 13.137 13.493 0.974 possible 343 52 . ILE CA 3 C4H1s 0.770 1.880 4.065 17.248 12.946 1.332 possible 344 52 . ILE C 1 C3H0s 0.770 1.610 2.440 8.313 8.445 0.984 [OK] 345 52 . ILE O 16 O1H0u 0.660 1.420 2.586 15.523 15.930 0.974 [OK] 346 52 . ILE CB 4 C4H1b 0.770 1.880 3.138 16.605 14.146 1.174 possible 347 52 . ILE CG1 9 C4H2b 0.770 1.880 17.865 -1.000 24.071 -1.000 bad 348 52 . ILE CG2 10 C4H3u 0.770 1.880 7.919 78.890 35.763 2.206 possible 349 52 . ILE CD1 10 C4H3u 0.770 1.880 19.342 -1.000 38.219 -1.000 bad 350 53 . ALA N 12 N3H1s 0.700 1.640 2.820 16.120 13.872 1.162 [OK] 351 53 . ALA CA 4 C4H1b 0.770 1.880 3.103 14.838 13.959 1.063 possible 352 53 . ALA C 1 C3H0s 0.770 1.610 2.194 8.152 8.858 0.920 [OK] 353 53 . ALA O 16 O1H0u 0.660 1.420 2.697 13.078 16.026 0.816 [OK] 354 53 . ALA CB 10 C4H3u 0.770 1.880 3.053 37.987 36.551 1.039 possible 355 54 . PHE N 12 N3H1s 0.700 1.640 2.374 14.211 13.524 1.051 [OK] 356 54 . PHE CA 3 C4H1s 0.770 1.880 2.805 14.710 13.371 1.100 [OK] 357 54 . PHE C 1 C3H0s 0.770 1.610 2.037 7.495 8.697 0.862 [OK] 358 54 . PHE O 16 O1H0u 0.660 1.420 2.382 15.649 15.961 0.980 [OK] 359 54 . PHE CB 8 C4H2s 0.770 1.880 3.211 23.082 23.623 0.977 possible 360 54 . PHE CG 2 C3H0b 0.770 1.610 3.333 11.660 9.684 1.204 possible 361 54 . PHE CD1 5 C3H1s 0.770 1.760 3.752 29.221 20.325 1.438 possible 362 54 . PHE CD2 6 C3H1b 0.770 1.760 3.493 21.188 20.948 1.011 possible 363 54 . PHE CE1 6 C3H1b 0.770 1.760 20.347 -1.000 21.532 -1.000 bad 364 54 . PHE CE2 6 C3H1b 0.770 1.760 4.064 27.816 21.625 1.286 possible 365 54 . PHE CZ 6 C3H1b 0.770 1.760 17.915 -1.000 21.555 -1.000 bad 366 55 . THR N 12 N3H1s 0.700 1.640 2.337 12.386 13.544 0.914 [OK] 367 55 . THR CA 3 C4H1s 0.770 1.880 4.344 18.454 13.025 1.417 possible 368 55 . THR C 1 C3H0s 0.770 1.610 3.172 8.857 8.685 1.020 possible 369 55 . THR O 16 O1H0u 0.660 1.420 5.837 36.489 15.795 2.310 possible 370 55 . THR CB 4 C4H1b 0.770 1.880 18.092 -1.000 14.687 -1.000 bad 371 55 . THR OG1 17 O2H1u 0.660 1.460 8.040 -1.000 17.610 -1.000 bad 372 55 . THR CG2 10 C4H3u 0.770 1.880 38.773 -1.000 36.265 -1.000 bad 373 56 . MET N 12 N3H1s 0.700 1.640 2.816 12.534 13.405 0.935 [OK] 374 56 . MET CA 3 C4H1s 0.770 1.880 2.927 12.526 13.194 0.949 [OK] 375 56 . MET C 1 C3H0s 0.770 1.610 2.455 8.464 8.756 0.967 [OK] 376 56 . MET O 16 O1H0u 0.660 1.420 2.535 14.075 16.002 0.880 [OK] 377 56 . MET CB 8 C4H2s 0.770 1.880 3.098 24.378 23.418 1.041 possible 378 56 . MET CG 9 C4H2b 0.770 1.880 2.961 20.477 23.830 0.859 [OK] 379 56 . MET SD 19 S2H0u 1.040 1.770 6.821 59.645 30.207 1.975 possible 380 56 . MET CE 10 C4H3u 0.770 1.880 26.253 -1.000 37.003 -1.000 bad 381 57 . TYR N 12 N3H1s 0.700 1.640 2.586 12.528 13.473 0.930 [OK] 382 57 . TYR CA 3 C4H1s 0.770 1.880 3.277 12.537 13.249 0.946 possible 383 57 . TYR C 1 C3H0s 0.770 1.610 2.255 7.867 8.714 0.903 [OK] 384 57 . TYR O 16 O1H0u 0.660 1.420 2.855 18.396 15.901 1.157 [OK] 385 57 . TYR CB 8 C4H2s 0.770 1.880 3.325 24.118 23.426 1.030 possible 386 57 . TYR CG 2 C3H0b 0.770 1.610 2.514 9.634 9.695 0.994 [OK] 387 57 . TYR CD1 5 C3H1s 0.770 1.760 3.003 16.408 20.057 0.818 possible 388 57 . TYR CD2 5 C3H1s 0.770 1.760 2.819 18.655 20.578 0.907 [OK] 389 57 . TYR CE1 5 C3H1s 0.770 1.760 3.208 29.806 20.534 1.452 possible 390 57 . TYR CE2 5 C3H1s 0.770 1.760 3.252 17.991 20.577 0.874 possible 391 57 . TYR CZ 2 C3H0b 0.770 1.610 3.128 11.541 9.888 1.167 possible 392 57 . TYR OH 17 O2H1u 0.660 1.460 2.972 19.381 18.541 1.045 [OK] 393 58 . LEU N 12 N3H1s 0.700 1.640 2.142 11.225 13.517 0.830 [OK] 394 58 . LEU CA 3 C4H1s 0.770 1.880 2.686 13.139 13.055 1.006 [OK] 395 58 . LEU C 1 C3H0s 0.770 1.610 3.401 9.432 8.781 1.074 possible 396 58 . LEU O 16 O1H0u 0.660 1.420 4.709 24.185 15.957 1.516 possible 397 58 . LEU CB 8 C4H2s 0.770 1.880 6.053 30.822 22.818 1.351 possible 398 58 . LEU CG 4 C4H1b 0.770 1.880 3.422 16.353 14.704 1.112 possible 399 58 . LEU CD1 10 C4H3u 0.770 1.880 29.182 -1.000 37.235 -1.000 bad 400 58 . LEU CD2 10 C4H3u 0.770 1.880 19.008 -1.000 37.020 -1.000 bad 401 59 . SER N 12 N3H1s 0.700 1.640 3.527 11.859 13.808 0.859 possible 402 59 . SER CA 3 C4H1s 0.770 1.880 4.384 18.164 13.351 1.360 possible 403 59 . SER C 1 C3H0s 0.770 1.610 2.607 8.377 8.858 0.946 [OK] 404 59 . SER O 16 O1H0u 0.660 1.420 2.355 14.588 15.860 0.920 [OK] 405 59 . SER CB 8 C4H2s 0.770 1.880 5.529 31.250 23.599 1.324 possible 406 59 . SER OG 17 O2H1u 0.660 1.460 4.102 25.750 18.021 1.429 possible 407 60 . MET N 12 N3H1s 0.700 1.640 2.720 12.920 13.405 0.964 [OK] 408 60 . MET CA 3 C4H1s 0.770 1.880 2.903 14.107 13.194 1.069 [OK] 409 60 . MET C 1 C3H0s 0.770 1.610 2.239 8.387 8.756 0.958 [OK] 410 60 . MET O 16 O1H0u 0.660 1.420 3.010 19.160 16.002 1.197 possible 411 60 . MET CB 8 C4H2s 0.770 1.880 3.188 22.653 23.418 0.967 possible 412 60 . MET CG 9 C4H2b 0.770 1.880 2.904 22.302 23.830 0.936 [OK] 413 60 . MET SD 19 S2H0u 1.040 1.770 2.861 27.755 30.207 0.919 [OK] 414 60 . MET CE 10 C4H3u 0.770 1.880 3.340 38.819 37.003 1.049 possible 415 61 . LEU N 12 N3H1s 0.700 1.640 2.424 12.708 13.517 0.940 [OK] 416 61 . LEU CA 3 C4H1s 0.770 1.880 2.852 13.154 13.055 1.008 [OK] 417 61 . LEU C 1 C3H0s 0.770 1.610 2.186 8.198 8.781 0.934 [OK] 418 61 . LEU O 16 O1H0u 0.660 1.420 3.499 23.222 15.957 1.455 possible 419 61 . LEU CB 8 C4H2s 0.770 1.880 3.081 22.765 22.818 0.998 possible 420 61 . LEU CG 4 C4H1b 0.770 1.880 3.083 16.269 14.704 1.106 possible 421 61 . LEU CD1 10 C4H3u 0.770 1.880 17.468 -1.000 37.235 -1.000 bad 422 61 . LEU CD2 10 C4H3u 0.770 1.880 7.737 89.381 37.020 2.414 possible 423 62 . LEU N 12 N3H1s 0.700 1.640 2.425 13.127 13.517 0.971 [OK] 424 62 . LEU CA 3 C4H1s 0.770 1.880 3.938 13.983 13.055 1.071 possible 425 62 . LEU C 1 C3H0s 0.770 1.610 6.969 15.907 8.781 1.811 possible 426 62 . LEU O 16 O1H0u 0.660 1.420 8.236 -1.000 15.957 -1.000 bad 427 62 . LEU CB 8 C4H2s 0.770 1.880 7.541 41.233 22.818 1.807 possible 428 62 . LEU CG 4 C4H1b 0.770 1.880 3.207 15.082 14.704 1.026 possible 429 62 . LEU CD1 10 C4H3u 0.770 1.880 45.728 -1.000 37.235 -1.000 bad 430 62 . LEU CD2 10 C4H3u 0.770 1.880 44.984 -1.000 37.020 -1.000 bad 431 63 . GLY N 12 N3H1s 0.700 1.640 7.197 36.206 14.480 2.500 possible 432 63 . GLY CA 8 C4H2s 0.770 1.880 35.141 -1.000 23.470 -1.000 bad 433 63 . GLY C 2 C3H0b 0.770 1.610 7.274 18.289 9.652 1.895 possible 434 63 . GLY O 16 O1H0u 0.660 1.420 22.892 -1.000 16.154 -1.000 bad 435 64 . TYR N 12 N3H1s 0.700 1.640 4.347 16.472 13.473 1.223 possible 436 64 . TYR CA 3 C4H1s 0.770 1.880 5.367 25.623 13.249 1.934 possible 437 64 . TYR C 1 C3H0s 0.770 1.610 2.927 9.854 8.714 1.131 [OK] 438 64 . TYR O 16 O1H0u 0.660 1.420 3.363 20.959 15.901 1.318 possible 439 64 . TYR CB 8 C4H2s 0.770 1.880 3.335 21.839 23.426 0.932 possible 440 64 . TYR CG 2 C3H0b 0.770 1.610 3.487 10.714 9.695 1.105 possible 441 64 . TYR CD1 5 C3H1s 0.770 1.760 3.655 18.539 20.057 0.924 possible 442 64 . TYR CD2 5 C3H1s 0.770 1.760 19.256 -1.000 20.578 -1.000 bad 443 64 . TYR CE1 5 C3H1s 0.770 1.760 5.500 50.051 20.534 2.437 possible 444 64 . TYR CE2 5 C3H1s 0.770 1.760 33.620 -1.000 20.577 -1.000 bad 445 64 . TYR CZ 2 C3H0b 0.770 1.610 6.954 24.193 9.888 2.447 possible 446 64 . TYR OH 17 O2H1u 0.660 1.460 48.546 -1.000 18.541 -1.000 bad 447 65 . GLY N 12 N3H1s 0.700 1.640 4.068 23.491 14.480 1.622 possible 448 65 . GLY CA 8 C4H2s 0.770 1.880 2.874 23.937 23.470 1.020 [OK] 449 65 . GLY C 2 C3H0b 0.770 1.610 2.772 9.165 9.652 0.950 [OK] 450 65 . GLY O 16 O1H0u 0.660 1.420 4.850 34.777 16.154 2.153 possible 451 66 . LEU N 12 N3H1s 0.700 1.640 2.980 15.034 13.517 1.112 [OK] 452 66 . LEU CA 3 C4H1s 0.770 1.880 2.892 11.953 13.055 0.916 [OK] 453 66 . LEU C 1 C3H0s 0.770 1.610 2.813 9.594 8.781 1.093 [OK] 454 66 . LEU O 16 O1H0u 0.660 1.420 3.224 20.933 15.957 1.312 possible 455 66 . LEU CB 8 C4H2s 0.770 1.880 5.002 39.899 22.818 1.749 possible 456 66 . LEU CG 4 C4H1b 0.770 1.880 4.311 22.738 14.704 1.546 possible 457 66 . LEU CD1 10 C4H3u 0.770 1.880 45.510 -1.000 37.235 -1.000 bad 458 66 . LEU CD2 10 C4H3u 0.770 1.880 67.682 -1.000 37.020 -1.000 bad 459 67 . THR N 12 N3H1s 0.700 1.640 3.817 18.998 13.544 1.403 possible 460 67 . THR CA 3 C4H1s 0.770 1.880 4.834 19.773 13.025 1.518 possible 461 67 . THR C 1 C3H0s 0.770 1.610 2.311 7.561 8.685 0.871 [OK] 462 67 . THR O 16 O1H0u 0.660 1.420 2.780 21.000 15.795 1.330 [OK] 463 67 . THR CB 4 C4H1b 0.770 1.880 3.033 14.807 14.687 1.008 possible 464 67 . THR OG1 17 O2H1u 0.660 1.460 22.131 -1.000 17.610 -1.000 bad 465 67 . THR CG2 10 C4H3u 0.770 1.880 20.368 -1.000 36.265 -1.000 bad 466 68 . MET N 12 N3H1s 0.700 1.640 3.573 18.323 13.405 1.367 possible 467 68 . MET CA 3 C4H1s 0.770 1.880 3.647 18.425 13.194 1.396 possible 468 68 . MET C 1 C3H0s 0.770 1.610 2.516 9.288 8.756 1.061 [OK] 469 68 . MET O 16 O1H0u 0.660 1.420 2.510 15.085 16.002 0.943 [OK] 470 68 . MET CB 8 C4H2s 0.770 1.880 4.029 28.751 23.418 1.228 possible 471 68 . MET CG 9 C4H2b 0.770 1.880 3.537 25.147 23.830 1.055 possible 472 68 . MET SD 19 S2H0u 1.040 1.770 7.327 61.875 30.207 2.048 possible 473 68 . MET CE 10 C4H3u 0.770 1.880 65.624 -1.000 37.003 -1.000 bad 474 69 . VAL N 12 N3H1s 0.700 1.640 2.898 14.488 13.553 1.069 [OK] 475 69 . VAL CA 3 C4H1s 0.770 1.880 2.803 12.111 13.078 0.926 [OK] 476 69 . VAL C 1 C3H0s 0.770 1.610 2.768 8.975 8.528 1.052 [OK] 477 69 . VAL O 16 O1H0u 0.660 1.420 2.576 14.067 15.998 0.879 [OK] 478 69 . VAL CB 4 C4H1b 0.770 1.880 2.806 10.740 14.514 0.740 [OK] 479 69 . VAL CG1 10 C4H3u 0.770 1.880 2.941 25.243 36.320 0.695 [OK] 480 69 . VAL CG2 10 C4H3u 0.770 1.880 3.859 37.691 36.173 1.042 possible 481 70 . PRO N 11 N3H0u 0.700 1.640 2.510 8.751 8.650 1.012 [OK] 482 70 . PRO CA 4 C4H1b 0.770 1.880 3.338 14.566 13.828 1.053 possible 483 70 . PRO C 1 C3H0s 0.770 1.610 3.049 9.836 8.768 1.122 possible 484 70 . PRO O 16 O1H0u 0.660 1.420 7.857 -1.000 15.856 -1.000 bad 485 70 . PRO CB 9 C4H2b 0.770 1.880 17.763 -1.000 25.314 -1.000 bad 486 70 . PRO CG 9 C4H2b 0.770 1.880 5.655 57.000 25.480 2.237 possible 487 70 . PRO CD 8 C4H2s 0.770 1.880 2.920 20.388 23.390 0.872 [OK] 488 71 . PHE N 12 N3H1s 0.700 1.640 3.155 16.261 13.524 1.202 possible 489 71 . PHE CA 3 C4H1s 0.770 1.880 4.243 18.061 13.371 1.351 possible 490 71 . PHE C 1 C3H0s 0.770 1.610 2.784 10.290 8.697 1.183 [OK] 491 71 . PHE O 16 O1H0u 0.660 1.420 4.168 29.395 15.961 1.842 possible 492 71 . PHE CB 8 C4H2s 0.770 1.880 7.829 51.321 23.623 2.172 possible 493 71 . PHE CG 2 C3H0b 0.770 1.610 6.156 18.899 9.684 1.952 possible 494 71 . PHE CD1 5 C3H1s 0.770 1.760 15.317 -1.000 20.325 -1.000 bad 495 71 . PHE CD2 6 C3H1b 0.770 1.760 6.142 48.547 20.948 2.318 possible 496 71 . PHE CE1 6 C3H1b 0.770 1.760 35.066 -1.000 21.532 -1.000 bad 497 71 . PHE CE2 6 C3H1b 0.770 1.760 35.191 -1.000 21.625 -1.000 bad 498 71 . PHE CZ 6 C3H1b 0.770 1.760 36.059 -1.000 21.555 -1.000 bad 499 72 . GLY N 12 N3H1s 0.700 1.640 4.015 21.332 14.480 1.473 possible 500 72 . GLY CA 8 C4H2s 0.770 1.880 3.747 29.173 23.470 1.243 possible 501 72 . GLY C 2 C3H0b 0.770 1.610 3.287 11.473 9.652 1.189 possible 502 72 . GLY O 16 O1H0u 0.660 1.420 16.546 -1.000 16.154 -1.000 bad 503 73 . GLY N 12 N3H1s 0.700 1.640 4.437 40.111 14.480 2.770 possible 504 73 . GLY CA 8 C4H2s 0.770 1.880 43.772 -1.000 23.470 -1.000 bad 505 73 . GLY C 2 C3H0b 0.770 1.610 5.507 15.155 9.652 1.570 possible 506 73 . GLY O 16 O1H0u 0.660 1.420 34.947 -1.000 16.154 -1.000 bad 507 74 . GLU N 12 N3H1s 0.700 1.640 2.911 14.751 13.461 1.096 [OK] 508 74 . GLU CA 3 C4H1s 0.770 1.880 6.620 20.983 13.284 1.580 possible 509 74 . GLU C 1 C3H0s 0.770 1.610 3.575 10.084 8.631 1.168 possible 510 74 . GLU O 16 O1H0u 0.660 1.420 31.005 -1.000 15.765 -1.000 bad 511 74 . GLU CB 8 C4H2s 0.770 1.880 5.503 44.811 23.214 1.930 possible 512 74 . GLU CG 8 C4H2s 0.770 1.880 26.240 -1.000 23.304 -1.000 bad 513 74 . GLU CD 2 C3H0b 0.770 1.610 2.945 -1.000 9.437 -1.000 bad 514 74 . GLU OE1 16 O1H0u 0.660 1.420 39.850 -1.000 15.497 -1.000 bad 515 74 . GLU OE2 16 O1H0u 0.660 1.420 28.585 -1.000 16.213 -1.000 bad 516 75 . GLN N 12 N3H1s 0.700 1.640 3.620 22.385 13.449 1.664 possible 517 75 . GLN CA 3 C4H1s 0.770 1.880 5.778 20.183 13.231 1.525 possible 518 75 . GLN C 1 C3H0s 0.770 1.610 2.926 9.706 8.744 1.110 [OK] 519 75 . GLN O 16 O1H0u 0.660 1.420 17.373 -1.000 15.767 -1.000 bad 520 75 . GLN CB 8 C4H2s 0.770 1.880 5.736 44.596 23.059 1.934 possible 521 75 . GLN CG 8 C4H2s 0.770 1.880 19.162 -1.000 23.218 -1.000 bad 522 75 . GLN CD 2 C3H0b 0.770 1.610 6.890 16.048 9.618 1.669 possible 523 75 . GLN OE1 16 O1H0u 0.660 1.420 29.184 -1.000 16.571 -1.000 bad 524 75 . GLN NE2 15 N3H2u 0.700 1.640 58.717 -1.000 23.255 -1.000 bad 525 76 . ASN N 12 N3H1s 0.700 1.640 3.544 18.451 13.525 1.364 possible 526 76 . ASN CA 3 C4H1s 0.770 1.880 3.284 12.495 13.052 0.957 possible 527 76 . ASN C 1 C3H0s 0.770 1.610 2.900 9.743 8.853 1.100 [OK] 528 76 . ASN O 16 O1H0u 0.660 1.420 3.566 30.178 15.857 1.903 possible 529 76 . ASN CB 8 C4H2s 0.770 1.880 3.931 27.382 22.756 1.203 possible 530 76 . ASN CG 2 C3H0b 0.770 1.610 3.697 15.263 9.537 1.600 possible 531 76 . ASN OD1 16 O1H0u 0.660 1.420 4.612 47.755 16.247 2.939 possible 532 76 . ASN ND2 15 N3H2u 0.700 1.640 6.766 91.886 22.525 4.079 possible 533 77 . PRO N 11 N3H0u 0.700 1.640 3.078 9.057 8.650 1.047 possible 534 77 . PRO CA 4 C4H1b 0.770 1.880 4.194 21.708 13.828 1.570 possible 535 77 . PRO C 1 C3H0s 0.770 1.610 2.865 9.514 8.768 1.085 [OK] 536 77 . PRO O 16 O1H0u 0.660 1.420 3.690 24.418 15.856 1.540 possible 537 77 . PRO CB 9 C4H2b 0.770 1.880 29.976 -1.000 25.314 -1.000 bad 538 77 . PRO CG 9 C4H2b 0.770 1.880 17.329 -1.000 25.480 -1.000 bad 539 77 . PRO CD 8 C4H2s 0.770 1.880 5.399 54.785 23.390 2.342 possible 540 78 . ILE N 12 N3H1s 0.700 1.640 3.355 21.452 13.493 1.590 possible 541 78 . ILE CA 3 C4H1s 0.770 1.880 3.546 14.837 12.946 1.146 possible 542 78 . ILE C 1 C3H0s 0.770 1.610 2.920 9.243 8.445 1.094 [OK] 543 78 . ILE O 16 O1H0u 0.660 1.420 3.542 20.942 15.930 1.315 possible 544 78 . ILE CB 4 C4H1b 0.770 1.880 2.950 16.106 14.146 1.139 [OK] 545 78 . ILE CG1 9 C4H2b 0.770 1.880 2.999 20.553 24.071 0.854 [OK] 546 78 . ILE CG2 10 C4H3u 0.770 1.880 3.995 41.152 35.763 1.151 possible 547 78 . ILE CD1 10 C4H3u 0.770 1.880 4.211 45.839 38.219 1.199 possible 548 79 . TYR N 12 N3H1s 0.700 1.640 3.891 17.298 13.473 1.284 possible 549 79 . TYR CA 3 C4H1s 0.770 1.880 2.584 12.753 13.249 0.963 [OK] 550 79 . TYR C 1 C3H0s 0.770 1.610 2.792 9.602 8.714 1.102 [OK] 551 79 . TYR O 16 O1H0u 0.660 1.420 3.138 23.683 15.901 1.489 possible 552 79 . TYR CB 8 C4H2s 0.770 1.880 3.078 23.578 23.426 1.006 possible 553 79 . TYR CG 2 C3H0b 0.770 1.610 2.668 10.439 9.695 1.077 [OK] 554 79 . TYR CD1 5 C3H1s 0.770 1.760 3.706 23.640 20.057 1.179 possible 555 79 . TYR CD2 5 C3H1s 0.770 1.760 2.771 19.536 20.578 0.949 [OK] 556 79 . TYR CE1 5 C3H1s 0.770 1.760 4.272 29.783 20.534 1.450 possible 557 79 . TYR CE2 5 C3H1s 0.770 1.760 3.674 24.830 20.577 1.207 possible 558 79 . TYR CZ 2 C3H0b 0.770 1.610 4.060 14.604 9.888 1.477 possible 559 79 . TYR OH 17 O2H1u 0.660 1.460 5.547 49.008 18.541 2.643 possible 560 80 . TRP N 12 N3H1s 0.700 1.640 3.012 16.158 13.639 1.185 possible 561 80 . TRP CA 3 C4H1s 0.770 1.880 3.377 16.996 13.323 1.276 possible 562 80 . TRP C 1 C3H0s 0.770 1.610 2.554 8.363 8.687 0.963 [OK] 563 80 . TRP O 16 O1H0u 0.660 1.420 3.038 17.978 15.797 1.138 possible 564 80 . TRP CB 8 C4H2s 0.770 1.880 3.962 31.365 23.826 1.316 possible 565 80 . TRP CG 2 C3H0b 0.770 1.610 3.704 11.615 9.915 1.171 possible 566 80 . TRP CD1 5 C3H1s 0.770 1.760 2.926 17.526 20.597 0.851 [OK] 567 80 . TRP CD2 2 C3H0b 0.770 1.610 5.478 15.406 10.068 1.530 possible 568 80 . TRP NE1 13 N3H1b 0.700 1.640 15.241 -1.000 16.723 -1.000 bad 569 80 . TRP CE2 2 C3H0b 0.770 1.610 5.520 17.122 9.848 1.739 possible 570 80 . TRP CE3 6 C3H1b 0.770 1.760 5.824 34.961 20.383 1.715 possible 571 80 . TRP CZ2 6 C3H1b 0.770 1.760 23.542 -1.000 20.931 -1.000 bad 572 80 . TRP CZ3 6 C3H1b 0.770 1.760 7.413 69.989 21.429 3.266 possible 573 80 . TRP CH2 6 C3H1b 0.770 1.760 28.194 -1.000 21.219 -1.000 bad 574 81 . ALA N 12 N3H1s 0.700 1.640 2.686 14.184 13.872 1.023 [OK] 575 81 . ALA CA 4 C4H1b 0.770 1.880 2.843 14.109 13.959 1.011 [OK] 576 81 . ALA C 1 C3H0s 0.770 1.610 2.708 8.986 8.858 1.014 [OK] 577 81 . ALA O 16 O1H0u 0.660 1.420 2.524 13.845 16.026 0.864 [OK] 578 81 . ALA CB 10 C4H3u 0.770 1.880 3.210 40.870 36.551 1.118 possible 579 82 . ARG N 12 N3H1s 0.700 1.640 2.613 15.246 13.486 1.131 [OK] 580 82 . ARG CA 3 C4H1s 0.770 1.880 3.239 14.944 13.310 1.123 possible 581 82 . ARG C 1 C3H0s 0.770 1.610 2.437 8.764 8.779 0.998 [OK] 582 82 . ARG O 16 O1H0u 0.660 1.420 2.403 13.479 15.916 0.847 [OK] 583 82 . ARG CB 8 C4H2s 0.770 1.880 3.162 27.614 22.833 1.209 possible 584 82 . ARG CG 8 C4H2s 0.770 1.880 3.134 22.994 23.273 0.988 possible 585 82 . ARG CD 8 C4H2s 0.770 1.880 3.828 34.866 22.849 1.526 possible 586 82 . ARG NE 13 N3H1b 0.700 1.640 3.823 24.409 15.019 1.625 possible 587 82 . ARG CZ 2 C3H0b 0.770 1.610 3.520 10.854 9.678 1.121 possible 588 82 . ARG NH1 15 N3H2u 0.700 1.640 2.849 24.380 22.056 1.105 [OK] 589 82 . ARG NH2 15 N3H2u 0.700 1.640 3.554 33.811 23.132 1.462 possible 590 83 . TYR N 12 N3H1s 0.700 1.640 2.670 14.210 13.473 1.055 [OK] 591 83 . TYR CA 3 C4H1s 0.770 1.880 2.713 13.973 13.249 1.055 [OK] 592 83 . TYR C 1 C3H0s 0.770 1.610 2.910 8.868 8.714 1.018 [OK] 593 83 . TYR O 16 O1H0u 0.660 1.420 2.911 18.048 15.901 1.135 [OK] 594 83 . TYR CB 8 C4H2s 0.770 1.880 3.182 23.784 23.426 1.015 possible 595 83 . TYR CG 2 C3H0b 0.770 1.610 2.606 9.050 9.695 0.933 [OK] 596 83 . TYR CD1 5 C3H1s 0.770 1.760 3.265 22.878 20.057 1.141 possible 597 83 . TYR CD2 5 C3H1s 0.770 1.760 2.831 20.476 20.578 0.995 [OK] 598 83 . TYR CE1 5 C3H1s 0.770 1.760 3.296 26.243 20.534 1.278 possible 599 83 . TYR CE2 5 C3H1s 0.770 1.760 2.856 19.777 20.577 0.961 [OK] 600 83 . TYR CZ 2 C3H0b 0.770 1.610 2.890 10.900 9.888 1.102 [OK] 601 83 . TYR OH 17 O2H1u 0.660 1.460 2.879 19.274 18.541 1.040 [OK] 602 84 . ALA N 12 N3H1s 0.700 1.640 3.291 14.980 13.872 1.080 possible 603 84 . ALA CA 4 C4H1b 0.770 1.880 4.402 25.519 13.959 1.828 possible 604 84 . ALA C 1 C3H0s 0.770 1.610 2.609 9.370 8.858 1.058 [OK] 605 84 . ALA O 16 O1H0u 0.660 1.420 4.156 30.662 16.026 1.913 possible 606 84 . ALA CB 10 C4H3u 0.770 1.880 5.450 57.291 36.551 1.567 possible 607 85 . ASP N 12 N3H1s 0.700 1.640 2.353 12.063 13.654 0.883 [OK] 608 85 . ASP CA 3 C4H1s 0.770 1.880 2.963 13.812 13.254 1.042 [OK] 609 85 . ASP C 1 C3H0s 0.770 1.610 2.577 8.898 8.750 1.017 [OK] 610 85 . ASP O 16 O1H0u 0.660 1.420 2.490 13.386 15.757 0.850 [OK] 611 85 . ASP CB 8 C4H2s 0.770 1.880 3.045 26.503 23.022 1.151 possible 612 85 . ASP CG 2 C3H0b 0.770 1.610 2.813 9.295 9.336 0.996 [OK] 613 85 . ASP OD1 16 O1H0u 0.660 1.420 2.760 23.032 15.078 1.528 [OK] 614 85 . ASP OD2 16 O1H0u 0.660 1.420 2.780 19.873 15.582 1.275 [OK] 615 86 . TRP N 12 N3H1s 0.700 1.640 2.591 12.407 13.639 0.910 [OK] 616 86 . TRP CA 3 C4H1s 0.770 1.880 2.892 14.906 13.323 1.119 [OK] 617 86 . TRP C 1 C3H0s 0.770 1.610 2.127 8.373 8.687 0.964 [OK] 618 86 . TRP O 16 O1H0u 0.660 1.420 2.460 17.275 15.797 1.094 [OK] 619 86 . TRP CB 8 C4H2s 0.770 1.880 2.967 24.371 23.826 1.023 [OK] 620 86 . TRP CG 2 C3H0b 0.770 1.610 2.353 10.079 9.915 1.017 [OK] 621 86 . TRP CD1 5 C3H1s 0.770 1.760 2.769 17.030 20.597 0.827 [OK] 622 86 . TRP CD2 2 C3H0b 0.770 1.610 2.450 10.969 10.068 1.090 [OK] 623 86 . TRP NE1 13 N3H1b 0.700 1.640 2.908 20.557 16.723 1.229 [OK] 624 86 . TRP CE2 2 C3H0b 0.770 1.610 2.470 10.976 9.848 1.115 [OK] 625 86 . TRP CE3 6 C3H1b 0.770 1.760 2.764 21.284 20.383 1.044 [OK] 626 86 . TRP CZ2 6 C3H1b 0.770 1.760 2.883 21.444 20.931 1.025 [OK] 627 86 . TRP CZ3 6 C3H1b 0.770 1.760 3.027 23.226 21.429 1.084 possible 628 86 . TRP CH2 6 C3H1b 0.770 1.760 3.352 22.849 21.219 1.077 possible 629 87 . LEU N 12 N3H1s 0.700 1.640 2.557 12.130 13.517 0.897 [OK] 630 87 . LEU CA 3 C4H1s 0.770 1.880 3.231 16.154 13.055 1.237 possible 631 87 . LEU C 1 C3H0s 0.770 1.610 2.478 8.903 8.781 1.014 [OK] 632 87 . LEU O 16 O1H0u 0.660 1.420 4.469 27.334 15.957 1.713 possible 633 87 . LEU CB 8 C4H2s 0.770 1.880 3.311 22.936 22.818 1.005 possible 634 87 . LEU CG 4 C4H1b 0.770 1.880 5.638 23.040 14.704 1.567 possible 635 87 . LEU CD1 10 C4H3u 0.770 1.880 7.283 74.821 37.235 2.009 possible 636 87 . LEU CD2 10 C4H3u 0.770 1.880 7.364 89.423 37.020 2.416 possible 637 88 . PHE N 12 N3H1s 0.700 1.640 2.780 13.303 13.524 0.984 [OK] 638 88 . PHE CA 3 C4H1s 0.770 1.880 3.365 14.811 13.371 1.108 possible 639 88 . PHE C 1 C3H0s 0.770 1.610 2.825 10.056 8.697 1.156 [OK] 640 88 . PHE O 16 O1H0u 0.660 1.420 3.186 22.032 15.961 1.380 possible 641 88 . PHE CB 8 C4H2s 0.770 1.880 3.675 26.208 23.623 1.109 possible 642 88 . PHE CG 2 C3H0b 0.770 1.610 4.585 14.305 9.684 1.477 possible 643 88 . PHE CD1 5 C3H1s 0.770 1.760 5.214 37.274 20.325 1.834 possible 644 88 . PHE CD2 6 C3H1b 0.770 1.760 5.738 46.269 20.948 2.209 possible 645 88 . PHE CE1 6 C3H1b 0.770 1.760 28.798 -1.000 21.532 -1.000 bad 646 88 . PHE CE2 6 C3H1b 0.770 1.760 30.992 -1.000 21.625 -1.000 bad 647 88 . PHE CZ 6 C3H1b 0.770 1.760 26.441 -1.000 21.555 -1.000 bad 648 89 . THR N 12 N3H1s 0.700 1.640 2.641 13.733 13.544 1.014 [OK] 649 89 . THR CA 3 C4H1s 0.770 1.880 3.122 15.411 13.025 1.183 possible 650 89 . THR C 1 C3H0s 0.770 1.610 2.597 8.091 8.685 0.932 [OK] 651 89 . THR O 16 O1H0u 0.660 1.420 2.454 16.675 15.795 1.056 [OK] 652 89 . THR CB 4 C4H1b 0.770 1.880 2.927 15.102 14.687 1.028 [OK] 653 89 . THR OG1 17 O2H1u 0.660 1.460 2.601 25.970 17.610 1.475 [OK] 654 89 . THR CG2 10 C4H3u 0.770 1.880 2.942 32.900 36.265 0.907 [OK] 655 90 . THR N 12 N3H1s 0.700 1.640 2.584 13.005 13.544 0.960 [OK] 656 90 . THR CA 3 C4H1s 0.770 1.880 3.110 15.304 13.025 1.175 possible 657 90 . THR C 1 C3H0s 0.770 1.610 2.566 8.569 8.685 0.987 [OK] 658 90 . THR O 16 O1H0u 0.660 1.420 2.687 17.844 15.795 1.130 [OK] 659 90 . THR CB 4 C4H1b 0.770 1.880 2.644 12.087 14.687 0.823 [OK] 660 90 . THR OG1 17 O2H1u 0.660 1.460 2.789 21.802 17.610 1.238 [OK] 661 90 . THR CG2 10 C4H3u 0.770 1.880 3.141 34.795 36.265 0.959 possible 662 91 . PRO N 11 N3H0u 0.700 1.640 2.602 8.294 8.650 0.959 [OK] 663 91 . PRO CA 4 C4H1b 0.770 1.880 3.288 19.642 13.828 1.420 possible 664 91 . PRO C 1 C3H0s 0.770 1.610 2.782 8.991 8.768 1.025 [OK] 665 91 . PRO O 16 O1H0u 0.660 1.420 3.353 26.084 15.856 1.645 possible 666 91 . PRO CB 9 C4H2b 0.770 1.880 4.820 37.064 25.314 1.464 possible 667 91 . PRO CG 9 C4H2b 0.770 1.880 4.605 37.064 25.480 1.455 possible 668 91 . PRO CD 8 C4H2s 0.770 1.880 3.016 21.566 23.390 0.922 possible 669 92 . LEU N 12 N3H1s 0.700 1.640 2.651 13.303 13.517 0.984 [OK] 670 92 . LEU CA 3 C4H1s 0.770 1.880 3.000 13.623 13.055 1.044 possible 671 92 . LEU C 1 C3H0s 0.770 1.610 2.434 8.815 8.781 1.004 [OK] 672 92 . LEU O 16 O1H0u 0.660 1.420 2.404 15.061 15.957 0.944 [OK] 673 92 . LEU CB 8 C4H2s 0.770 1.880 3.112 24.257 22.818 1.063 possible 674 92 . LEU CG 4 C4H1b 0.770 1.880 5.817 23.354 14.704 1.588 possible 675 92 . LEU CD1 10 C4H3u 0.770 1.880 28.084 -1.000 37.235 -1.000 bad 676 92 . LEU CD2 10 C4H3u 0.770 1.880 18.910 -1.000 37.020 -1.000 bad 677 93 . LEU N 12 N3H1s 0.700 1.640 2.514 13.677 13.517 1.012 [OK] 678 93 . LEU CA 3 C4H1s 0.770 1.880 2.959 14.003 13.055 1.073 [OK] 679 93 . LEU C 1 C3H0s 0.770 1.610 2.547 9.002 8.781 1.025 [OK] 680 93 . LEU O 16 O1H0u 0.660 1.420 3.060 19.421 15.957 1.217 possible 681 93 . LEU CB 8 C4H2s 0.770 1.880 3.325 25.164 22.818 1.103 possible 682 93 . LEU CG 4 C4H1b 0.770 1.880 3.417 15.519 14.704 1.055 possible 683 93 . LEU CD1 10 C4H3u 0.770 1.880 3.342 39.462 37.235 1.060 possible 684 93 . LEU CD2 10 C4H3u 0.770 1.880 3.125 38.464 37.020 1.039 possible 685 94 . LEU N 12 N3H1s 0.700 1.640 2.373 12.645 13.517 0.936 [OK] 686 94 . LEU CA 3 C4H1s 0.770 1.880 2.370 11.031 13.055 0.845 [OK] 687 94 . LEU C 1 C3H0s 0.770 1.610 2.467 8.653 8.781 0.985 [OK] 688 94 . LEU O 16 O1H0u 0.660 1.420 2.659 15.219 15.957 0.954 [OK] 689 94 . LEU CB 8 C4H2s 0.770 1.880 3.077 21.684 22.818 0.950 possible 690 94 . LEU CG 4 C4H1b 0.770 1.880 2.976 14.792 14.704 1.006 [OK] 691 94 . LEU CD1 10 C4H3u 0.770 1.880 3.508 38.016 37.235 1.021 possible 692 94 . LEU CD2 10 C4H3u 0.770 1.880 3.217 41.389 37.020 1.118 possible 693 95 . LEU N 12 N3H1s 0.700 1.640 2.828 13.111 13.517 0.970 [OK] 694 95 . LEU CA 3 C4H1s 0.770 1.880 3.099 14.551 13.055 1.115 possible 695 95 . LEU C 1 C3H0s 0.770 1.610 2.457 9.320 8.781 1.061 [OK] 696 95 . LEU O 16 O1H0u 0.660 1.420 3.297 21.375 15.957 1.340 possible 697 95 . LEU CB 8 C4H2s 0.770 1.880 3.092 20.943 22.818 0.918 possible 698 95 . LEU CG 4 C4H1b 0.770 1.880 4.231 20.096 14.704 1.367 possible 699 95 . LEU CD1 10 C4H3u 0.770 1.880 6.792 77.794 37.235 2.089 possible 700 95 . LEU CD2 10 C4H3u 0.770 1.880 42.847 -1.000 37.020 -1.000 bad 701 96 . ASP N 12 N3H1s 0.700 1.640 2.486 12.978 13.654 0.951 [OK] 702 96 . ASP CA 3 C4H1s 0.770 1.880 3.683 16.459 13.254 1.242 possible 703 96 . ASP C 1 C3H0s 0.770 1.610 2.900 9.899 8.750 1.131 [OK] 704 96 . ASP O 16 O1H0u 0.660 1.420 2.723 19.041 15.757 1.208 [OK] 705 96 . ASP CB 8 C4H2s 0.770 1.880 3.170 28.135 23.022 1.222 possible 706 96 . ASP CG 2 C3H0b 0.770 1.610 3.344 10.712 9.336 1.147 possible 707 96 . ASP OD1 16 O1H0u 0.660 1.420 2.663 15.935 15.078 1.057 [OK] 708 96 . ASP OD2 16 O1H0u 0.660 1.420 3.001 19.977 15.582 1.282 possible 709 97 . LEU N 12 N3H1s 0.700 1.640 2.901 14.043 13.517 1.039 [OK] 710 97 . LEU CA 3 C4H1s 0.770 1.880 3.106 15.522 13.055 1.189 possible 711 97 . LEU C 1 C3H0s 0.770 1.610 2.270 8.704 8.781 0.991 [OK] 712 97 . LEU O 16 O1H0u 0.660 1.420 2.450 15.757 15.957 0.987 [OK] 713 97 . LEU CB 8 C4H2s 0.770 1.880 3.076 22.690 22.818 0.994 possible 714 97 . LEU CG 4 C4H1b 0.770 1.880 2.549 12.348 14.704 0.840 [OK] 715 97 . LEU CD1 10 C4H3u 0.770 1.880 3.226 32.856 37.235 0.882 possible 716 97 . LEU CD2 10 C4H3u 0.770 1.880 3.629 50.398 37.020 1.361 possible 717 98 . ALA N 12 N3H1s 0.700 1.640 2.398 12.560 13.872 0.905 [OK] 718 98 . ALA CA 4 C4H1b 0.770 1.880 2.982 14.874 13.959 1.066 [OK] 719 98 . ALA C 1 C3H0s 0.770 1.610 2.435 9.324 8.858 1.053 [OK] 720 98 . ALA O 16 O1H0u 0.660 1.420 2.888 19.194 16.026 1.198 [OK] 721 98 . ALA CB 10 C4H3u 0.770 1.880 3.288 41.738 36.551 1.142 possible 722 99 . LEU N 12 N3H1s 0.700 1.640 2.421 13.721 13.517 1.015 [OK] 723 99 . LEU CA 3 C4H1s 0.770 1.880 3.120 13.681 13.055 1.048 possible 724 99 . LEU C 1 C3H0s 0.770 1.610 2.158 8.324 8.781 0.948 [OK] 725 99 . LEU O 16 O1H0u 0.660 1.420 3.606 21.324 15.957 1.336 possible 726 99 . LEU CB 8 C4H2s 0.770 1.880 3.824 26.627 22.818 1.167 possible 727 99 . LEU CG 4 C4H1b 0.770 1.880 3.842 20.446 14.704 1.391 possible 728 99 . LEU CD1 10 C4H3u 0.770 1.880 39.403 -1.000 37.235 -1.000 bad 729 99 . LEU CD2 10 C4H3u 0.770 1.880 6.363 58.292 37.020 1.575 possible 730 100 . LEU N 12 N3H1s 0.700 1.640 2.348 13.670 13.517 1.011 [OK] 731 100 . LEU CA 3 C4H1s 0.770 1.880 2.770 13.679 13.055 1.048 [OK] 732 100 . LEU C 1 C3H0s 0.770 1.610 3.114 8.966 8.781 1.021 possible 733 100 . LEU O 16 O1H0u 0.660 1.420 3.282 22.127 15.957 1.387 possible 734 100 . LEU CB 8 C4H2s 0.770 1.880 3.367 23.708 22.818 1.039 possible 735 100 . LEU CG 4 C4H1b 0.770 1.880 3.199 13.490 14.704 0.917 possible 736 100 . LEU CD1 10 C4H3u 0.770 1.880 13.036 -1.000 37.235 -1.000 bad 737 100 . LEU CD2 10 C4H3u 0.770 1.880 3.313 41.109 37.020 1.110 possible 738 101 . VAL N 12 N3H1s 0.700 1.640 3.173 13.769 13.553 1.016 possible 739 101 . VAL CA 3 C4H1s 0.770 1.880 3.862 20.856 13.078 1.595 possible 740 101 . VAL C 1 C3H0s 0.770 1.610 2.930 9.549 8.528 1.120 [OK] 741 101 . VAL O 16 O1H0u 0.660 1.420 3.614 26.641 15.998 1.665 possible 742 101 . VAL CB 4 C4H1b 0.770 1.880 3.020 16.252 14.514 1.120 possible 743 101 . VAL CG1 10 C4H3u 0.770 1.880 3.643 42.603 36.320 1.173 possible 744 101 . VAL CG2 10 C4H3u 0.770 1.880 3.638 32.055 36.173 0.886 possible 745 102 . ASP N 12 N3H1s 0.700 1.640 2.202 12.218 13.654 0.895 [OK] 746 102 . ASP CA 3 C4H1s 0.770 1.880 5.161 22.338 13.254 1.685 possible 747 102 . ASP C 1 C3H0s 0.770 1.610 4.043 10.539 8.750 1.205 possible 748 102 . ASP O 16 O1H0u 0.660 1.420 22.769 -1.000 15.757 -1.000 bad 749 102 . ASP CB 8 C4H2s 0.770 1.880 23.569 -1.000 23.022 -1.000 bad 750 102 . ASP CG 2 C3H0b 0.770 1.610 5.863 15.567 9.336 1.667 possible 751 102 . ASP OD1 16 O1H0u 0.660 1.420 22.975 -1.000 15.078 -1.000 bad 752 102 . ASP OD2 16 O1H0u 0.660 1.420 5.296 40.214 15.582 2.581 possible 753 103 . ALA N 12 N3H1s 0.700 1.640 3.014 14.763 13.872 1.064 possible 754 103 . ALA CA 4 C4H1b 0.770 1.880 3.755 19.696 13.959 1.411 possible 755 103 . ALA C 1 C3H0s 0.770 1.610 3.344 9.809 8.858 1.107 possible 756 103 . ALA O 16 O1H0u 0.660 1.420 14.007 -1.000 16.026 -1.000 bad 757 103 . ALA CB 10 C4H3u 0.770 1.880 4.309 53.369 36.551 1.460 possible 758 104 . ASP N 12 N3H1s 0.700 1.640 4.356 28.801 13.654 2.109 possible 759 104 . ASP CA 3 C4H1s 0.770 1.880 4.953 22.595 13.254 1.705 possible 760 104 . ASP C 1 C3H0s 0.770 1.610 2.601 8.906 8.750 1.018 [OK] 761 104 . ASP O 16 O1H0u 0.660 1.420 2.652 16.041 15.757 1.018 [OK] 762 104 . ASP CB 8 C4H2s 0.770 1.880 7.934 96.203 23.022 4.179 possible 763 104 . ASP CG 2 C3H0b 0.770 1.610 3.376 -1.000 9.336 -1.000 bad 764 104 . ASP OD1 16 O1H0u 0.660 1.420 39.014 -1.000 15.078 -1.000 bad 765 104 . ASP OD2 16 O1H0u 0.660 1.420 27.272 -1.000 15.582 -1.000 bad 766 105 . GLN N 12 N3H1s 0.700 1.640 4.425 20.473 13.449 1.522 possible 767 105 . GLN CA 3 C4H1s 0.770 1.880 3.338 15.350 13.231 1.160 possible 768 105 . GLN C 1 C3H0s 0.770 1.610 4.126 9.716 8.744 1.111 possible 769 105 . GLN O 16 O1H0u 0.660 1.420 3.810 23.845 15.767 1.512 possible 770 105 . GLN CB 8 C4H2s 0.770 1.880 7.586 59.930 23.059 2.599 possible 771 105 . GLN CG 8 C4H2s 0.770 1.880 7.475 79.885 23.218 3.441 possible 772 105 . GLN CD 2 C3H0b 0.770 1.610 2.676 -1.000 9.618 -1.000 bad 773 105 . GLN OE1 16 O1H0u 0.660 1.420 44.899 -1.000 16.571 -1.000 bad 774 105 . GLN NE2 15 N3H2u 0.700 1.640 58.019 -1.000 23.255 -1.000 bad 775 106 . GLY N 12 N3H1s 0.700 1.640 5.596 19.713 14.480 1.361 possible 776 106 . GLY CA 8 C4H2s 0.770 1.880 34.313 -1.000 23.470 -1.000 bad 777 106 . GLY C 2 C3H0b 0.770 1.610 1.990 -1.000 9.652 -1.000 bad 778 106 . GLY O 16 O1H0u 0.660 1.420 5.726 -1.000 16.154 -1.000 bad 779 107 . THR N 12 N3H1s 0.700 1.640 5.591 -1.000 13.544 -1.000 bad 780 107 . THR CA 3 C4H1s 0.770 1.880 6.580 24.683 13.025 1.895 possible 781 107 . THR C 1 C3H0s 0.770 1.610 2.748 8.471 8.685 0.975 [OK] 782 107 . THR O 16 O1H0u 0.660 1.420 3.054 20.449 15.795 1.295 possible 783 107 . THR CB 4 C4H1b 0.770 1.880 19.132 -1.000 14.687 -1.000 bad 784 107 . THR OG1 17 O2H1u 0.660 1.460 7.088 46.960 17.610 2.667 possible 785 107 . THR CG2 10 C4H3u 0.770 1.880 5.092 56.598 36.265 1.561 possible 786 108 . ILE N 12 N3H1s 0.700 1.640 2.836 13.053 13.493 0.967 [OK] 787 108 . ILE CA 3 C4H1s 0.770 1.880 3.288 14.657 12.946 1.132 possible 788 108 . ILE C 1 C3H0s 0.770 1.610 2.616 8.192 8.445 0.970 [OK] 789 108 . ILE O 16 O1H0u 0.660 1.420 2.435 13.028 15.930 0.818 [OK] 790 108 . ILE CB 4 C4H1b 0.770 1.880 3.180 14.873 14.146 1.051 possible 791 108 . ILE CG1 9 C4H2b 0.770 1.880 3.280 24.003 24.071 0.997 possible 792 108 . ILE CG2 10 C4H3u 0.770 1.880 5.998 66.834 35.763 1.869 possible 793 108 . ILE CD1 10 C4H3u 0.770 1.880 4.862 58.889 38.219 1.541 possible 794 109 . LEU N 12 N3H1s 0.700 1.640 3.770 14.874 13.517 1.100 possible 795 109 . LEU CA 3 C4H1s 0.770 1.880 4.815 18.818 13.055 1.441 possible 796 109 . LEU C 1 C3H0s 0.770 1.610 2.241 7.564 8.781 0.861 [OK] 797 109 . LEU O 16 O1H0u 0.660 1.420 3.176 17.411 15.957 1.091 possible 798 109 . LEU CB 8 C4H2s 0.770 1.880 4.585 26.736 22.818 1.172 possible 799 109 . LEU CG 4 C4H1b 0.770 1.880 12.315 -1.000 14.704 -1.000 bad 800 109 . LEU CD1 10 C4H3u 0.770 1.880 61.488 -1.000 37.235 -1.000 bad 801 109 . LEU CD2 10 C4H3u 0.770 1.880 45.323 -1.000 37.020 -1.000 bad 802 110 . ALA N 12 N3H1s 0.700 1.640 4.146 17.141 13.872 1.236 possible 803 110 . ALA CA 4 C4H1b 0.770 1.880 9.110 -1.000 13.959 -1.000 bad 804 110 . ALA C 1 C3H0s 0.770 1.610 2.823 8.727 8.858 0.985 [OK] 805 110 . ALA O 16 O1H0u 0.660 1.420 5.440 22.619 16.026 1.411 possible 806 110 . ALA CB 10 C4H3u 0.770 1.880 32.238 -1.000 36.551 -1.000 bad 807 111 . LEU N 12 N3H1s 0.700 1.640 3.284 15.190 13.517 1.124 possible 808 111 . LEU CA 3 C4H1s 0.770 1.880 3.717 20.022 13.055 1.534 possible 809 111 . LEU C 1 C3H0s 0.770 1.610 2.418 8.637 8.781 0.984 [OK] 810 111 . LEU O 16 O1H0u 0.660 1.420 2.730 21.917 15.957 1.374 [OK] 811 111 . LEU CB 8 C4H2s 0.770 1.880 3.666 22.155 22.818 0.971 possible 812 111 . LEU CG 4 C4H1b 0.770 1.880 3.195 14.352 14.704 0.976 possible 813 111 . LEU CD1 10 C4H3u 0.770 1.880 3.584 45.431 37.235 1.220 possible 814 111 . LEU CD2 10 C4H3u 0.770 1.880 3.403 44.186 37.020 1.194 possible 815 112 . VAL N 12 N3H1s 0.700 1.640 2.461 11.662 13.553 0.860 [OK] 816 112 . VAL CA 3 C4H1s 0.770 1.880 3.221 15.886 13.078 1.215 possible 817 112 . VAL C 1 C3H0s 0.770 1.610 3.675 9.217 8.528 1.081 possible 818 112 . VAL O 16 O1H0u 0.660 1.420 5.376 25.333 15.998 1.584 possible 819 112 . VAL CB 4 C4H1b 0.770 1.880 5.796 26.322 14.514 1.814 possible 820 112 . VAL CG1 10 C4H3u 0.770 1.880 39.576 -1.000 36.320 -1.000 bad 821 112 . VAL CG2 10 C4H3u 0.770 1.880 16.452 -1.000 36.173 -1.000 bad 822 113 . GLY N 12 N3H1s 0.700 1.640 4.962 19.544 14.480 1.350 possible 823 113 . GLY CA 8 C4H2s 0.770 1.880 35.221 -1.000 23.470 -1.000 bad 824 113 . GLY C 2 C3H0b 0.770 1.610 5.803 15.828 9.652 1.640 possible 825 113 . GLY O 16 O1H0u 0.660 1.420 4.518 -1.000 16.154 -1.000 bad 826 114 . ALA N 12 N3H1s 0.700 1.640 5.366 14.478 13.872 1.044 possible 827 114 . ALA CA 4 C4H1b 0.770 1.880 6.532 38.865 13.959 2.784 possible 828 114 . ALA C 1 C3H0s 0.770 1.610 2.660 9.052 8.858 1.022 [OK] 829 114 . ALA O 16 O1H0u 0.660 1.420 3.582 20.514 16.026 1.280 possible 830 114 . ALA CB 10 C4H3u 0.770 1.880 4.499 48.242 36.551 1.320 possible 831 115 . ASP N 12 N3H1s 0.700 1.640 2.365 13.269 13.654 0.972 [OK] 832 115 . ASP CA 3 C4H1s 0.770 1.880 2.579 11.962 13.254 0.903 [OK] 833 115 . ASP C 1 C3H0s 0.770 1.610 2.671 8.338 8.750 0.953 [OK] 834 115 . ASP O 16 O1H0u 0.660 1.420 2.682 14.876 15.757 0.944 [OK] 835 115 . ASP CB 8 C4H2s 0.770 1.880 3.176 27.366 23.022 1.189 possible 836 115 . ASP CG 2 C3H0b 0.770 1.610 2.758 8.780 9.336 0.940 [OK] 837 115 . ASP OD1 16 O1H0u 0.660 1.420 2.637 19.343 15.078 1.283 [OK] 838 115 . ASP OD2 16 O1H0u 0.660 1.420 2.719 19.748 15.582 1.267 [OK] 839 116 . GLY N 12 N3H1s 0.700 1.640 2.957 15.379 14.480 1.062 [OK] 840 116 . GLY CA 8 C4H2s 0.770 1.880 18.792 -1.000 23.470 -1.000 bad 841 116 . GLY C 2 C3H0b 0.770 1.610 5.018 12.064 9.652 1.250 possible 842 116 . GLY O 16 O1H0u 0.660 1.420 5.453 26.964 16.154 1.669 possible 843 117 . ILE N 12 N3H1s 0.700 1.640 3.343 14.030 13.493 1.040 possible 844 117 . ILE CA 3 C4H1s 0.770 1.880 3.206 13.152 12.946 1.016 possible 845 117 . ILE C 1 C3H0s 0.770 1.610 2.628 8.594 8.445 1.018 [OK] 846 117 . ILE O 16 O1H0u 0.660 1.420 2.735 14.653 15.930 0.920 [OK] 847 117 . ILE CB 4 C4H1b 0.770 1.880 5.180 20.327 14.146 1.437 possible 848 117 . ILE CG1 9 C4H2b 0.770 1.880 19.839 -1.000 24.071 -1.000 bad 849 117 . ILE CG2 10 C4H3u 0.770 1.880 23.804 -1.000 35.763 -1.000 bad 850 117 . ILE CD1 10 C4H3u 0.770 1.880 58.898 -1.000 38.219 -1.000 bad 851 118 . MET N 12 N3H1s 0.700 1.640 2.535 12.557 13.405 0.937 [OK] 852 118 . MET CA 3 C4H1s 0.770 1.880 3.026 14.200 13.194 1.076 possible 853 118 . MET C 1 C3H0s 0.770 1.610 2.118 8.099 8.756 0.925 [OK] 854 118 . MET O 16 O1H0u 0.660 1.420 2.452 17.561 16.002 1.097 [OK] 855 118 . MET CB 8 C4H2s 0.770 1.880 2.999 20.960 23.418 0.895 [OK] 856 118 . MET CG 9 C4H2b 0.770 1.880 2.834 24.075 23.830 1.010 [OK] 857 118 . MET SD 19 S2H0u 1.040 1.770 3.060 31.239 30.207 1.034 possible 858 118 . MET CE 10 C4H3u 0.770 1.880 3.075 28.949 37.003 0.782 possible 859 119 . ILE N 12 N3H1s 0.700 1.640 2.424 11.982 13.493 0.888 [OK] 860 119 . ILE CA 3 C4H1s 0.770 1.880 2.956 13.010 12.946 1.005 [OK] 861 119 . ILE C 1 C3H0s 0.770 1.610 2.570 9.200 8.445 1.089 [OK] 862 119 . ILE O 16 O1H0u 0.660 1.420 2.820 16.487 15.930 1.035 [OK] 863 119 . ILE CB 4 C4H1b 0.770 1.880 3.207 15.298 14.146 1.081 possible 864 119 . ILE CG1 9 C4H2b 0.770 1.880 3.091 26.986 24.071 1.121 possible 865 119 . ILE CG2 10 C4H3u 0.770 1.880 3.311 32.394 35.763 0.906 possible 866 119 . ILE CD1 10 C4H3u 0.770 1.880 3.252 34.978 38.219 0.915 possible 867 120 . GLY N 12 N3H1s 0.700 1.640 2.623 12.995 14.480 0.897 [OK] 868 120 . GLY CA 8 C4H2s 0.770 1.880 20.195 -1.000 23.470 -1.000 bad 869 120 . GLY C 2 C3H0b 0.770 1.610 4.533 13.668 9.652 1.416 possible 870 120 . GLY O 16 O1H0u 0.660 1.420 3.417 17.198 16.154 1.065 possible 871 121 . THR N 12 N3H1s 0.700 1.640 4.491 17.600 13.544 1.299 possible 872 121 . THR CA 3 C4H1s 0.770 1.880 4.059 18.132 13.025 1.392 possible 873 121 . THR C 1 C3H0s 0.770 1.610 2.202 8.127 8.685 0.936 [OK] 874 121 . THR O 16 O1H0u 0.660 1.420 2.794 16.052 15.795 1.016 [OK] 875 121 . THR CB 4 C4H1b 0.770 1.880 2.970 13.101 14.687 0.892 [OK] 876 121 . THR OG1 17 O2H1u 0.660 1.460 4.808 38.130 17.610 2.165 possible 877 121 . THR CG2 10 C4H3u 0.770 1.880 3.102 27.250 36.265 0.751 possible 878 122 . GLY N 12 N3H1s 0.700 1.640 2.331 13.233 14.480 0.914 [OK] 879 122 . GLY CA 8 C4H2s 0.770 1.880 3.452 31.640 23.470 1.348 possible 880 122 . GLY C 2 C3H0b 0.770 1.610 2.517 9.054 9.652 0.938 [OK] 881 122 . GLY O 16 O1H0u 0.660 1.420 2.947 17.922 16.154 1.109 [OK] 882 123 . LEU N 12 N3H1s 0.700 1.640 2.591 12.375 13.517 0.916 [OK] 883 123 . LEU CA 3 C4H1s 0.770 1.880 2.842 13.961 13.055 1.069 [OK] 884 123 . LEU C 1 C3H0s 0.770 1.610 2.676 7.869 8.781 0.896 [OK] 885 123 . LEU O 16 O1H0u 0.660 1.420 2.577 14.728 15.957 0.923 [OK] 886 123 . LEU CB 8 C4H2s 0.770 1.880 2.959 19.933 22.818 0.874 [OK] 887 123 . LEU CG 4 C4H1b 0.770 1.880 3.829 18.863 14.704 1.283 possible 888 123 . LEU CD1 10 C4H3u 0.770 1.880 4.424 45.145 37.235 1.212 possible 889 123 . LEU CD2 10 C4H3u 0.770 1.880 40.704 -1.000 37.020 -1.000 bad 890 124 . VAL N 12 N3H1s 0.700 1.640 2.916 13.487 13.553 0.995 [OK] 891 124 . VAL CA 3 C4H1s 0.770 1.880 3.629 16.418 13.078 1.255 possible 892 124 . VAL C 1 C3H0s 0.770 1.610 2.206 7.516 8.528 0.881 [OK] 893 124 . VAL O 16 O1H0u 0.660 1.420 3.233 22.115 15.998 1.382 possible 894 124 . VAL CB 4 C4H1b 0.770 1.880 3.484 15.439 14.514 1.064 possible 895 124 . VAL CG1 10 C4H3u 0.770 1.880 7.321 74.734 36.320 2.058 possible 896 124 . VAL CG2 10 C4H3u 0.770 1.880 48.510 -1.000 36.173 -1.000 bad 897 125 . GLY N 12 N3H1s 0.700 1.640 2.398 12.909 14.480 0.892 [OK] 898 125 . GLY CA 8 C4H2s 0.770 1.880 3.439 26.196 23.470 1.116 possible 899 125 . GLY C 2 C3H0b 0.770 1.610 2.703 8.866 9.652 0.919 [OK] 900 125 . GLY O 16 O1H0u 0.660 1.420 3.143 23.251 16.154 1.439 possible 901 126 . ALA N 12 N3H1s 0.700 1.640 2.320 12.057 13.872 0.869 [OK] 902 126 . ALA CA 4 C4H1b 0.770 1.880 2.331 10.990 13.959 0.787 [OK] 903 126 . ALA C 1 C3H0s 0.770 1.610 2.703 9.280 8.858 1.048 [OK] 904 126 . ALA O 16 O1H0u 0.660 1.420 2.639 15.421 16.026 0.962 [OK] 905 126 . ALA CB 10 C4H3u 0.770 1.880 3.431 36.935 36.551 1.011 possible 906 127 . LEU N 12 N3H1s 0.700 1.640 2.480 12.067 13.517 0.893 [OK] 907 127 . LEU CA 3 C4H1s 0.770 1.880 2.892 11.422 13.055 0.875 [OK] 908 127 . LEU C 1 C3H0s 0.770 1.610 2.645 9.187 8.781 1.046 [OK] 909 127 . LEU O 16 O1H0u 0.660 1.420 5.018 35.479 15.957 2.223 possible 910 127 . LEU CB 8 C4H2s 0.770 1.880 5.739 37.454 22.818 1.641 possible 911 127 . LEU CG 4 C4H1b 0.770 1.880 3.652 13.245 14.704 0.901 possible 912 127 . LEU CD1 10 C4H3u 0.770 1.880 3.431 38.942 37.235 1.046 possible 913 127 . LEU CD2 10 C4H3u 0.770 1.880 38.974 -1.000 37.020 -1.000 bad 914 128 . THR N 12 N3H1s 0.700 1.640 2.648 11.737 13.544 0.867 [OK] 915 128 . THR CA 3 C4H1s 0.770 1.880 2.348 11.237 13.025 0.863 [OK] 916 128 . THR C 1 C3H0s 0.770 1.610 2.668 8.933 8.685 1.029 [OK] 917 128 . THR O 16 O1H0u 0.660 1.420 3.210 20.196 15.795 1.279 possible 918 128 . THR CB 4 C4H1b 0.770 1.880 3.271 14.660 14.687 0.998 possible 919 128 . THR OG1 17 O2H1u 0.660 1.460 14.704 -1.000 17.610 -1.000 bad 920 128 . THR CG2 10 C4H3u 0.770 1.880 6.833 80.001 36.265 2.206 possible 921 129 . LYS N 12 N3H1s 0.700 1.640 3.249 15.686 13.429 1.168 possible 922 129 . LYS CA 3 C4H1s 0.770 1.880 3.892 21.382 13.217 1.618 possible 923 129 . LYS C 1 C3H0s 0.770 1.610 3.317 11.897 8.696 1.368 possible 924 129 . LYS O 16 O1H0u 0.660 1.420 5.966 38.729 15.818 2.448 possible 925 129 . LYS CB 8 C4H2s 0.770 1.880 4.668 26.191 22.578 1.160 possible 926 129 . LYS CG 8 C4H2s 0.770 1.880 3.403 23.436 22.847 1.026 possible 927 129 . LYS CD 8 C4H2s 0.770 1.880 5.316 28.980 23.365 1.240 possible 928 129 . LYS CE 9 C4H2b 0.770 1.880 5.463 37.025 23.720 1.561 possible 929 129 . LYS NZ 14 N4H3u 0.700 1.640 29.798 -1.000 21.413 -1.000 bad 930 130 . VAL N 12 N3H1s 0.700 1.640 3.414 16.900 13.553 1.247 possible 931 130 . VAL CA 3 C4H1s 0.770 1.880 5.665 24.731 13.078 1.891 possible 932 130 . VAL C 1 C3H0s 0.770 1.610 3.720 10.037 8.528 1.177 possible 933 130 . VAL O 16 O1H0u 0.660 1.420 6.752 -1.000 15.998 -1.000 bad 934 130 . VAL CB 4 C4H1b 0.770 1.880 12.621 -1.000 14.514 -1.000 bad 935 130 . VAL CG1 10 C4H3u 0.770 1.880 41.795 -1.000 36.320 -1.000 bad 936 130 . VAL CG2 10 C4H3u 0.770 1.880 39.516 -1.000 36.173 -1.000 bad 937 131 . TYR N 12 N3H1s 0.700 1.640 6.250 42.445 13.473 3.150 possible 938 131 . TYR CA 3 C4H1s 0.770 1.880 7.640 45.517 13.249 3.436 possible 939 131 . TYR C 1 C3H0s 0.770 1.610 4.838 12.811 8.714 1.470 possible 940 131 . TYR O 16 O1H0u 0.660 1.420 5.553 41.858 15.901 2.632 possible 941 131 . TYR CB 8 C4H2s 0.770 1.880 25.431 -1.000 23.426 -1.000 bad 942 131 . TYR CG 2 C3H0b 0.770 1.610 0.580 -1.000 9.695 -1.000 bad 943 131 . TYR CD1 5 C3H1s 0.770 1.760 24.728 -1.000 20.057 -1.000 bad 944 131 . TYR CD2 5 C3H1s 0.770 1.760 19.983 -1.000 20.578 -1.000 bad 945 131 . TYR CE1 5 C3H1s 0.770 1.760 34.572 -1.000 20.534 -1.000 bad 946 131 . TYR CE2 5 C3H1s 0.770 1.760 31.733 -1.000 20.577 -1.000 bad 947 131 . TYR CZ 2 C3H0b 0.770 1.610 3.480 -1.000 9.888 -1.000 bad 948 131 . TYR OH 17 O2H1u 0.660 1.460 48.957 -1.000 18.541 -1.000 bad 949 132 . SER N 12 N3H1s 0.700 1.640 3.064 12.642 13.808 0.916 possible 950 132 . SER CA 3 C4H1s 0.770 1.880 5.341 20.760 13.351 1.555 possible 951 132 . SER C 1 C3H0s 0.770 1.610 3.508 10.744 8.858 1.213 possible 952 132 . SER O 16 O1H0u 0.660 1.420 4.311 23.198 15.860 1.463 possible 953 132 . SER CB 8 C4H2s 0.770 1.880 6.829 67.594 23.599 2.864 possible 954 132 . SER OG 17 O2H1u 0.660 1.460 6.198 41.609 18.021 2.309 possible 955 133 . TYR N 12 N3H1s 0.700 1.640 3.235 15.756 13.473 1.169 possible 956 133 . TYR CA 3 C4H1s 0.770 1.880 3.326 14.763 13.249 1.114 possible 957 133 . TYR C 1 C3H0s 0.770 1.610 3.075 8.617 8.714 0.989 possible 958 133 . TYR O 16 O1H0u 0.660 1.420 3.058 17.237 15.901 1.084 possible 959 133 . TYR CB 8 C4H2s 0.770 1.880 4.805 30.661 23.426 1.309 possible 960 133 . TYR CG 2 C3H0b 0.770 1.610 7.671 18.844 9.695 1.944 possible 961 133 . TYR CD1 5 C3H1s 0.770 1.760 10.024 -1.000 20.057 -1.000 bad 962 133 . TYR CD2 5 C3H1s 0.770 1.760 19.057 -1.000 20.578 -1.000 bad 963 133 . TYR CE1 5 C3H1s 0.770 1.760 28.676 -1.000 20.534 -1.000 bad 964 133 . TYR CE2 5 C3H1s 0.770 1.760 36.046 -1.000 20.577 -1.000 bad 965 133 . TYR CZ 2 C3H0b 0.770 1.610 3.529 -1.000 9.888 -1.000 bad 966 133 . TYR OH 17 O2H1u 0.660 1.460 48.610 -1.000 18.541 -1.000 bad 967 134 . ARG N 12 N3H1s 0.700 1.640 3.247 15.470 13.486 1.147 possible 968 134 . ARG CA 3 C4H1s 0.770 1.880 3.580 16.840 13.310 1.265 possible 969 134 . ARG C 1 C3H0s 0.770 1.610 2.441 9.054 8.779 1.031 [OK] 970 134 . ARG O 16 O1H0u 0.660 1.420 2.810 20.956 15.916 1.317 [OK] 971 134 . ARG CB 8 C4H2s 0.770 1.880 3.258 21.262 22.833 0.931 possible 972 134 . ARG CG 8 C4H2s 0.770 1.880 3.329 28.215 23.273 1.212 possible 973 134 . ARG CD 8 C4H2s 0.770 1.880 3.826 30.690 22.849 1.343 possible 974 134 . ARG NE 13 N3H1b 0.700 1.640 2.743 14.484 15.019 0.964 [OK] 975 134 . ARG CZ 2 C3H0b 0.770 1.610 2.702 9.156 9.678 0.946 [OK] 976 134 . ARG NH1 15 N3H2u 0.700 1.640 4.012 32.119 22.056 1.456 possible 977 134 . ARG NH2 15 N3H2u 0.700 1.640 2.691 18.156 23.132 0.785 [OK] 978 135 . PHE N 12 N3H1s 0.700 1.640 2.535 13.042 13.524 0.964 [OK] 979 135 . PHE CA 3 C4H1s 0.770 1.880 3.034 13.407 13.371 1.003 possible 980 135 . PHE C 1 C3H0s 0.770 1.610 4.540 10.450 8.697 1.202 possible 981 135 . PHE O 16 O1H0u 0.660 1.420 7.213 35.524 15.961 2.226 possible 982 135 . PHE CB 8 C4H2s 0.770 1.880 23.455 -1.000 23.623 -1.000 bad 983 135 . PHE CG 2 C3H0b 0.770 1.610 5.324 15.212 9.684 1.571 possible 984 135 . PHE CD1 5 C3H1s 0.770 1.760 5.050 34.426 20.325 1.694 possible 985 135 . PHE CD2 6 C3H1b 0.770 1.760 6.368 46.371 20.948 2.214 possible 986 135 . PHE CE1 6 C3H1b 0.770 1.760 3.755 28.098 21.532 1.305 possible 987 135 . PHE CE2 6 C3H1b 0.770 1.760 5.063 45.777 21.625 2.117 possible 988 135 . PHE CZ 6 C3H1b 0.770 1.760 3.831 27.261 21.555 1.265 possible 989 136 . VAL N 12 N3H1s 0.700 1.640 4.320 15.102 13.553 1.114 possible 990 136 . VAL CA 3 C4H1s 0.770 1.880 6.416 27.275 13.078 2.086 possible 991 136 . VAL C 1 C3H0s 0.770 1.610 2.397 7.900 8.528 0.926 [OK] 992 136 . VAL O 16 O1H0u 0.660 1.420 4.020 17.924 15.998 1.120 possible 993 136 . VAL CB 4 C4H1b 0.770 1.880 3.186 14.848 14.514 1.023 possible 994 136 . VAL CG1 10 C4H3u 0.770 1.880 34.080 -1.000 36.320 -1.000 bad 995 136 . VAL CG2 10 C4H3u 0.770 1.880 21.342 -1.000 36.173 -1.000 bad 996 137 . TRP N 12 N3H1s 0.700 1.640 2.514 14.852 13.639 1.089 [OK] 997 137 . TRP CA 3 C4H1s 0.770 1.880 2.587 12.911 13.323 0.969 [OK] 998 137 . TRP C 1 C3H0s 0.770 1.610 2.837 8.790 8.687 1.012 [OK] 999 137 . TRP O 16 O1H0u 0.660 1.420 2.594 13.768 15.797 0.872 [OK] 1000 137 . TRP CB 8 C4H2s 0.770 1.880 3.250 21.440 23.826 0.900 possible 1001 137 . TRP CG 2 C3H0b 0.770 1.610 2.472 9.616 9.915 0.970 [OK] 1002 137 . TRP CD1 5 C3H1s 0.770 1.760 3.470 23.295 20.597 1.131 possible 1003 137 . TRP CD2 2 C3H0b 0.770 1.610 2.601 10.675 10.068 1.060 [OK] 1004 137 . TRP NE1 13 N3H1b 0.700 1.640 3.565 28.547 16.723 1.707 possible 1005 137 . TRP CE2 2 C3H0b 0.770 1.610 2.937 10.774 9.848 1.094 [OK] 1006 137 . TRP CE3 6 C3H1b 0.770 1.760 3.343 21.596 20.383 1.059 possible 1007 137 . TRP CZ2 6 C3H1b 0.770 1.760 7.844 72.591 20.931 3.468 possible 1008 137 . TRP CZ3 6 C3H1b 0.770 1.760 20.215 -1.000 21.429 -1.000 bad 1009 137 . TRP CH2 6 C3H1b 0.770 1.760 32.607 -1.000 21.219 -1.000 bad 1010 138 . TRP N 12 N3H1s 0.700 1.640 3.185 16.800 13.639 1.232 possible 1011 138 . TRP CA 3 C4H1s 0.770 1.880 3.415 18.024 13.323 1.353 possible 1012 138 . TRP C 1 C3H0s 0.770 1.610 2.031 7.636 8.687 0.879 [OK] 1013 138 . TRP O 16 O1H0u 0.660 1.420 2.279 14.888 15.797 0.942 [OK] 1014 138 . TRP CB 8 C4H2s 0.770 1.880 3.197 26.119 23.826 1.096 possible 1015 138 . TRP CG 2 C3H0b 0.770 1.610 3.006 11.703 9.915 1.180 possible 1016 138 . TRP CD1 5 C3H1s 0.770 1.760 3.041 19.526 20.597 0.948 possible 1017 138 . TRP CD2 2 C3H0b 0.770 1.610 2.740 10.663 10.068 1.059 [OK] 1018 138 . TRP NE1 13 N3H1b 0.700 1.640 2.526 16.121 16.723 0.964 [OK] 1019 138 . TRP CE2 2 C3H0b 0.770 1.610 2.516 10.474 9.848 1.064 [OK] 1020 138 . TRP CE3 6 C3H1b 0.770 1.760 4.625 28.739 20.383 1.410 possible 1021 138 . TRP CZ2 6 C3H1b 0.770 1.760 3.601 23.438 20.931 1.120 possible 1022 138 . TRP CZ3 6 C3H1b 0.770 1.760 20.153 -1.000 21.429 -1.000 bad 1023 138 . TRP CH2 6 C3H1b 0.770 1.760 19.196 -1.000 21.219 -1.000 bad 1024 139 . ALA N 12 N3H1s 0.700 1.640 2.511 12.330 13.872 0.889 [OK] 1025 139 . ALA CA 4 C4H1b 0.770 1.880 4.201 17.195 13.959 1.232 possible 1026 139 . ALA C 1 C3H0s 0.770 1.610 3.901 9.348 8.858 1.055 possible 1027 139 . ALA O 16 O1H0u 0.660 1.420 5.365 27.234 16.026 1.699 possible 1028 139 . ALA CB 10 C4H3u 0.770 1.880 44.108 -1.000 36.551 -1.000 bad 1029 140 . ILE N 12 N3H1s 0.700 1.640 3.654 13.280 13.493 0.984 possible 1030 140 . ILE CA 3 C4H1s 0.770 1.880 4.305 18.461 12.946 1.426 possible 1031 140 . ILE C 1 C3H0s 0.770 1.610 2.524 8.161 8.445 0.966 [OK] 1032 140 . ILE O 16 O1H0u 0.660 1.420 4.979 23.218 15.930 1.458 possible 1033 140 . ILE CB 4 C4H1b 0.770 1.880 2.479 12.185 14.146 0.861 [OK] 1034 140 . ILE CG1 9 C4H2b 0.770 1.880 17.847 -1.000 24.071 -1.000 bad 1035 140 . ILE CG2 10 C4H3u 0.770 1.880 21.318 -1.000 35.763 -1.000 bad 1036 140 . ILE CD1 10 C4H3u 0.770 1.880 29.567 -1.000 38.219 -1.000 bad 1037 141 . SER N 12 N3H1s 0.700 1.640 2.534 12.014 13.808 0.870 [OK] 1038 141 . SER CA 3 C4H1s 0.770 1.880 3.161 14.108 13.351 1.057 possible 1039 141 . SER C 1 C3H0s 0.770 1.610 2.175 8.661 8.858 0.978 [OK] 1040 141 . SER O 16 O1H0u 0.660 1.420 2.327 15.005 15.860 0.946 [OK] 1041 141 . SER CB 8 C4H2s 0.770 1.880 3.084 24.546 23.599 1.040 possible 1042 141 . SER OG 17 O2H1u 0.660 1.460 2.696 16.764 18.021 0.930 [OK] 1043 142 . THR N 12 N3H1s 0.700 1.640 2.288 12.442 13.544 0.919 [OK] 1044 142 . THR CA 3 C4H1s 0.770 1.880 2.956 13.438 13.025 1.032 [OK] 1045 142 . THR C 1 C3H0s 0.770 1.610 2.750 8.004 8.685 0.922 [OK] 1046 142 . THR O 16 O1H0u 0.660 1.420 3.055 17.030 15.795 1.078 possible 1047 142 . THR CB 4 C4H1b 0.770 1.880 4.064 17.235 14.687 1.173 possible 1048 142 . THR OG1 17 O2H1u 0.660 1.460 2.581 19.286 17.610 1.095 [OK] 1049 142 . THR CG2 10 C4H3u 0.770 1.880 35.236 -1.000 36.265 -1.000 bad 1050 143 . ALA N 12 N3H1s 0.700 1.640 3.960 14.963 13.872 1.079 possible 1051 143 . ALA CA 4 C4H1b 0.770 1.880 5.649 25.629 13.959 1.836 possible 1052 143 . ALA C 1 C3H0s 0.770 1.610 4.344 9.383 8.858 1.059 possible 1053 143 . ALA O 16 O1H0u 0.660 1.420 5.957 41.258 16.026 2.574 possible 1054 143 . ALA CB 10 C4H3u 0.770 1.880 47.538 -1.000 36.551 -1.000 bad 1055 144 . ALA N 12 N3H1s 0.700 1.640 4.604 14.442 13.872 1.041 possible 1056 144 . ALA CA 4 C4H1b 0.770 1.880 6.865 34.669 13.959 2.484 possible 1057 144 . ALA C 1 C3H0s 0.770 1.610 2.447 9.044 8.858 1.021 [OK] 1058 144 . ALA O 16 O1H0u 0.660 1.420 3.200 19.800 16.026 1.235 possible 1059 144 . ALA CB 10 C4H3u 0.770 1.880 5.185 49.093 36.551 1.343 possible 1060 145 . MET N 12 N3H1s 0.700 1.640 2.368 12.671 13.405 0.945 [OK] 1061 145 . MET CA 3 C4H1s 0.770 1.880 2.512 11.081 13.194 0.840 [OK] 1062 145 . MET C 1 C3H0s 0.770 1.610 2.524 8.638 8.756 0.987 [OK] 1063 145 . MET O 16 O1H0u 0.660 1.420 2.546 14.554 16.002 0.910 [OK] 1064 145 . MET CB 8 C4H2s 0.770 1.880 2.866 21.182 23.418 0.905 [OK] 1065 145 . MET CG 9 C4H2b 0.770 1.880 2.993 24.803 23.830 1.041 [OK] 1066 145 . MET SD 19 S2H0u 1.040 1.770 2.899 27.202 30.207 0.901 [OK] 1067 145 . MET CE 10 C4H3u 0.770 1.880 5.821 65.842 37.003 1.779 possible 1068 146 . LEU N 12 N3H1s 0.700 1.640 3.104 15.027 13.517 1.112 possible 1069 146 . LEU CA 3 C4H1s 0.770 1.880 3.406 14.694 13.055 1.126 possible 1070 146 . LEU C 1 C3H0s 0.770 1.610 2.130 7.546 8.781 0.859 [OK] 1071 146 . LEU O 16 O1H0u 0.660 1.420 2.780 14.423 15.957 0.904 [OK] 1072 146 . LEU CB 8 C4H2s 0.770 1.880 4.510 37.027 22.818 1.623 possible 1073 146 . LEU CG 4 C4H1b 0.770 1.880 14.262 -1.000 14.704 -1.000 bad 1074 146 . LEU CD1 10 C4H3u 0.770 1.880 35.012 -1.000 37.235 -1.000 bad 1075 146 . LEU CD2 10 C4H3u 0.770 1.880 39.479 -1.000 37.020 -1.000 bad 1076 147 . TYR N 12 N3H1s 0.700 1.640 3.465 15.204 13.473 1.128 possible 1077 147 . TYR CA 3 C4H1s 0.770 1.880 4.065 19.390 13.249 1.463 possible 1078 147 . TYR C 1 C3H0s 0.770 1.610 2.309 7.930 8.714 0.910 [OK] 1079 147 . TYR O 16 O1H0u 0.660 1.420 2.857 15.790 15.901 0.993 [OK] 1080 147 . TYR CB 8 C4H2s 0.770 1.880 4.393 29.991 23.426 1.280 possible 1081 147 . TYR CG 2 C3H0b 0.770 1.610 5.296 16.023 9.695 1.653 possible 1082 147 . TYR CD1 5 C3H1s 0.770 1.760 23.511 -1.000 20.057 -1.000 bad 1083 147 . TYR CD2 5 C3H1s 0.770 1.760 4.972 27.346 20.578 1.329 possible 1084 147 . TYR CE1 5 C3H1s 0.770 1.760 32.565 -1.000 20.534 -1.000 bad 1085 147 . TYR CE2 5 C3H1s 0.770 1.760 4.966 33.985 20.577 1.652 possible 1086 147 . TYR CZ 2 C3H0b 0.770 1.610 7.826 20.521 9.888 2.075 possible 1087 147 . TYR OH 17 O2H1u 0.660 1.460 32.391 -1.000 18.541 -1.000 bad 1088 148 . ILE N 12 N3H1s 0.700 1.640 2.462 12.818 13.493 0.950 [OK] 1089 148 . ILE CA 3 C4H1s 0.770 1.880 3.715 17.187 12.946 1.328 possible 1090 148 . ILE C 1 C3H0s 0.770 1.610 2.633 8.154 8.445 0.966 [OK] 1091 148 . ILE O 16 O1H0u 0.660 1.420 2.794 14.308 15.930 0.898 [OK] 1092 148 . ILE CB 4 C4H1b 0.770 1.880 3.018 13.764 14.146 0.973 possible 1093 148 . ILE CG1 9 C4H2b 0.770 1.880 3.605 25.766 24.071 1.070 possible 1094 148 . ILE CG2 10 C4H3u 0.770 1.880 3.611 41.705 35.763 1.166 possible 1095 148 . ILE CD1 10 C4H3u 0.770 1.880 2.980 28.607 38.219 0.749 [OK] 1096 149 . LEU N 12 N3H1s 0.700 1.640 2.597 12.394 13.517 0.917 [OK] 1097 149 . LEU CA 3 C4H1s 0.770 1.880 3.076 14.531 13.055 1.113 possible 1098 149 . LEU C 1 C3H0s 0.770 1.610 2.496 8.517 8.781 0.970 [OK] 1099 149 . LEU O 16 O1H0u 0.660 1.420 2.486 13.192 15.957 0.827 [OK] 1100 149 . LEU CB 8 C4H2s 0.770 1.880 3.073 22.011 22.818 0.965 possible 1101 149 . LEU CG 4 C4H1b 0.770 1.880 2.806 14.094 14.704 0.959 [OK] 1102 149 . LEU CD1 10 C4H3u 0.770 1.880 7.189 84.182 37.235 2.261 possible 1103 149 . LEU CD2 10 C4H3u 0.770 1.880 3.229 50.843 37.020 1.373 possible 1104 150 . TYR N 12 N3H1s 0.700 1.640 3.165 13.610 13.473 1.010 possible 1105 150 . TYR CA 3 C4H1s 0.770 1.880 3.399 14.593 13.249 1.101 possible 1106 150 . TYR C 1 C3H0s 0.770 1.610 2.869 8.618 8.714 0.989 [OK] 1107 150 . TYR O 16 O1H0u 0.660 1.420 2.880 14.408 15.901 0.906 [OK] 1108 150 . TYR CB 8 C4H2s 0.770 1.880 3.709 25.593 23.426 1.092 possible 1109 150 . TYR CG 2 C3H0b 0.770 1.610 4.394 13.392 9.695 1.381 possible 1110 150 . TYR CD1 5 C3H1s 0.770 1.760 5.224 35.831 20.057 1.786 possible 1111 150 . TYR CD2 5 C3H1s 0.770 1.760 5.349 51.597 20.578 2.507 possible 1112 150 . TYR CE1 5 C3H1s 0.770 1.760 22.572 -1.000 20.534 -1.000 bad 1113 150 . TYR CE2 5 C3H1s 0.770 1.760 28.217 -1.000 20.577 -1.000 bad 1114 150 . TYR CZ 2 C3H0b 0.770 1.610 1.869 -1.000 9.888 -1.000 bad 1115 150 . TYR OH 17 O2H1u 0.660 1.460 43.077 -1.000 18.541 -1.000 bad 1116 151 . VAL N 12 N3H1s 0.700 1.640 2.865 13.186 13.553 0.973 [OK] 1117 151 . VAL CA 3 C4H1s 0.770 1.880 4.553 19.059 13.078 1.457 possible 1118 151 . VAL C 1 C3H0s 0.770 1.610 2.394 8.212 8.528 0.963 [OK] 1119 151 . VAL O 16 O1H0u 0.660 1.420 2.577 14.197 15.998 0.887 [OK] 1120 151 . VAL CB 4 C4H1b 0.770 1.880 3.713 18.085 14.514 1.246 possible 1121 151 . VAL CG1 10 C4H3u 0.770 1.880 4.930 49.043 36.320 1.350 possible 1122 151 . VAL CG2 10 C4H3u 0.770 1.880 7.491 83.874 36.173 2.319 possible 1123 152 . LEU N 12 N3H1s 0.700 1.640 2.715 12.679 13.517 0.938 [OK] 1124 152 . LEU CA 3 C4H1s 0.770 1.880 2.687 11.653 13.055 0.893 [OK] 1125 152 . LEU C 1 C3H0s 0.770 1.610 2.711 9.095 8.781 1.036 [OK] 1126 152 . LEU O 16 O1H0u 0.660 1.420 2.882 19.536 15.957 1.224 [OK] 1127 152 . LEU CB 8 C4H2s 0.770 1.880 3.135 23.866 22.818 1.046 possible 1128 152 . LEU CG 4 C4H1b 0.770 1.880 3.616 22.848 14.704 1.554 possible 1129 152 . LEU CD1 10 C4H3u 0.770 1.880 3.287 37.644 37.235 1.011 possible 1130 152 . LEU CD2 10 C4H3u 0.770 1.880 3.656 52.116 37.020 1.408 possible 1131 153 . PHE N 12 N3H1s 0.700 1.640 2.891 14.213 13.524 1.051 [OK] 1132 153 . PHE CA 3 C4H1s 0.770 1.880 2.618 12.315 13.371 0.921 [OK] 1133 153 . PHE C 1 C3H0s 0.770 1.610 2.253 8.519 8.697 0.979 [OK] 1134 153 . PHE O 16 O1H0u 0.660 1.420 12.198 -1.000 15.961 -1.000 bad 1135 153 . PHE CB 8 C4H2s 0.770 1.880 11.677 -1.000 23.623 -1.000 bad 1136 153 . PHE CG 2 C3H0b 0.770 1.610 0.364 -1.000 9.684 -1.000 bad 1137 153 . PHE CD1 5 C3H1s 0.770 1.760 7.134 -1.000 20.325 -1.000 bad 1138 153 . PHE CD2 6 C3H1b 0.770 1.760 6.180 -1.000 20.948 -1.000 bad 1139 153 . PHE CE1 6 C3H1b 0.770 1.760 13.153 -1.000 21.532 -1.000 bad 1140 153 . PHE CE2 6 C3H1b 0.770 1.760 7.982 -1.000 21.625 -1.000 bad 1141 153 . PHE CZ 6 C3H1b 0.770 1.760 18.794 -1.000 21.555 -1.000 bad 1142 154 . PHE N 12 N3H1s 0.700 1.640 2.379 14.077 13.524 1.041 [OK] 1143 154 . PHE CA 3 C4H1s 0.770 1.880 3.814 16.399 13.371 1.226 possible 1144 154 . PHE C 1 C3H0s 0.770 1.610 4.693 10.449 8.697 1.201 possible 1145 154 . PHE O 16 O1H0u 0.660 1.420 5.470 22.511 15.961 1.410 possible 1146 154 . PHE CB 8 C4H2s 0.770 1.880 7.246 43.250 23.623 1.831 possible 1147 154 . PHE CG 2 C3H0b 0.770 1.610 2.826 10.555 9.684 1.090 [OK] 1148 154 . PHE CD1 5 C3H1s 0.770 1.760 2.656 16.516 20.325 0.813 [OK] 1149 154 . PHE CD2 6 C3H1b 0.770 1.760 20.788 -1.000 20.948 -1.000 bad 1150 154 . PHE CE1 6 C3H1b 0.770 1.760 5.543 29.061 21.532 1.350 possible 1151 154 . PHE CE2 6 C3H1b 0.770 1.760 29.377 -1.000 21.625 -1.000 bad 1152 154 . PHE CZ 6 C3H1b 0.770 1.760 27.881 -1.000 21.555 -1.000 bad 1153 155 . GLY N 12 N3H1s 0.700 1.640 4.923 20.758 14.480 1.434 possible 1154 155 . GLY CA 8 C4H2s 0.770 1.880 29.511 -1.000 23.470 -1.000 bad 1155 155 . GLY C 2 C3H0b 0.770 1.610 3.340 11.784 9.652 1.221 possible 1156 155 . GLY O 16 O1H0u 0.660 1.420 5.568 38.914 16.154 2.409 possible 1157 156 . PHE N 12 N3H1s 0.700 1.640 2.970 13.597 13.524 1.005 [OK] 1158 156 . PHE CA 3 C4H1s 0.770 1.880 3.575 15.306 13.371 1.145 possible 1159 156 . PHE C 1 C3H0s 0.770 1.610 2.528 8.927 8.697 1.026 [OK] 1160 156 . PHE O 16 O1H0u 0.660 1.420 2.523 15.547 15.961 0.974 [OK] 1161 156 . PHE CB 8 C4H2s 0.770 1.880 3.038 22.154 23.623 0.938 possible 1162 156 . PHE CG 2 C3H0b 0.770 1.610 3.196 11.304 9.684 1.167 possible 1163 156 . PHE CD1 5 C3H1s 0.770 1.760 3.578 19.737 20.325 0.971 possible 1164 156 . PHE CD2 6 C3H1b 0.770 1.760 3.100 19.234 20.948 0.918 possible 1165 156 . PHE CE1 6 C3H1b 0.770 1.760 3.244 23.914 21.532 1.111 possible 1166 156 . PHE CE2 6 C3H1b 0.770 1.760 3.099 19.980 21.625 0.924 possible 1167 156 . PHE CZ 6 C3H1b 0.770 1.760 3.175 24.011 21.555 1.114 possible 1168 157 . THR N 12 N3H1s 0.700 1.640 2.595 14.410 13.544 1.064 [OK] 1169 157 . THR CA 3 C4H1s 0.770 1.880 3.540 14.276 13.025 1.096 possible 1170 157 . THR C 1 C3H0s 0.770 1.610 3.072 8.358 8.685 0.962 possible 1171 157 . THR O 16 O1H0u 0.660 1.420 18.031 -1.000 15.795 -1.000 bad 1172 157 . THR CB 4 C4H1b 0.770 1.880 16.145 -1.000 14.687 -1.000 bad 1173 157 . THR OG1 17 O2H1u 0.660 1.460 10.841 -1.000 17.610 -1.000 bad 1174 157 . THR CG2 10 C4H3u 0.770 1.880 6.764 41.443 36.265 1.143 possible 1175 158 . SER N 12 N3H1s 0.700 1.640 3.171 13.087 13.808 0.948 possible 1176 158 . SER CA 3 C4H1s 0.770 1.880 12.417 -1.000 13.351 -1.000 bad 1177 158 . SER C 1 C3H0s 0.770 1.610 5.417 14.805 8.858 1.671 possible 1178 158 . SER O 16 O1H0u 0.660 1.420 24.413 -1.000 15.860 -1.000 bad 1179 158 . SER CB 8 C4H2s 0.770 1.880 30.119 -1.000 23.599 -1.000 bad 1180 158 . SER OG 17 O2H1u 0.660 1.460 26.741 -1.000 18.021 -1.000 bad 1181 159 . LYS N 12 N3H1s 0.700 1.640 3.953 14.111 13.429 1.051 possible 1182 159 . LYS CA 3 C4H1s 0.770 1.880 5.745 23.138 13.217 1.751 possible 1183 159 . LYS C 1 C3H0s 0.770 1.610 3.702 11.934 8.696 1.372 possible 1184 159 . LYS O 16 O1H0u 0.660 1.420 4.899 36.088 15.818 2.281 possible 1185 159 . LYS CB 8 C4H2s 0.770 1.880 3.522 25.340 22.578 1.122 possible 1186 159 . LYS CG 8 C4H2s 0.770 1.880 5.867 48.524 22.847 2.124 possible 1187 159 . LYS CD 8 C4H2s 0.770 1.880 6.730 60.222 23.365 2.577 possible 1188 159 . LYS CE 9 C4H2b 0.770 1.880 37.351 -1.000 23.720 -1.000 bad 1189 159 . LYS NZ 14 N4H3u 0.700 1.640 55.207 -1.000 21.413 -1.000 bad 1190 160 . ALA N 12 N3H1s 0.700 1.640 3.244 13.562 13.872 0.978 possible 1191 160 . ALA CA 4 C4H1b 0.770 1.880 3.787 20.018 13.959 1.434 possible 1192 160 . ALA C 1 C3H0s 0.770 1.610 2.744 9.325 8.858 1.053 [OK] 1193 160 . ALA O 16 O1H0u 0.660 1.420 15.183 -1.000 16.026 -1.000 bad 1194 160 . ALA CB 10 C4H3u 0.770 1.880 5.040 52.309 36.551 1.431 possible 1195 161 . GLU N 12 N3H1s 0.700 1.640 3.527 18.832 13.461 1.399 possible 1196 161 . GLU CA 3 C4H1s 0.770 1.880 3.144 13.550 13.284 1.020 possible 1197 161 . GLU C 1 C3H0s 0.770 1.610 2.852 9.151 8.631 1.060 [OK] 1198 161 . GLU O 16 O1H0u 0.660 1.420 2.825 18.055 15.765 1.145 [OK] 1199 161 . GLU CB 8 C4H2s 0.770 1.880 15.602 -1.000 23.214 -1.000 bad 1200 161 . GLU CG 8 C4H2s 0.770 1.880 32.445 -1.000 23.304 -1.000 bad 1201 161 . GLU CD 2 C3H0b 0.770 1.610 3.501 -1.000 9.437 -1.000 bad 1202 161 . GLU OE1 16 O1H0u 0.660 1.420 30.077 -1.000 15.497 -1.000 bad 1203 161 . GLU OE2 16 O1H0u 0.660 1.420 29.268 -1.000 16.213 -1.000 bad 1204 162 . SER N 12 N3H1s 0.700 1.640 6.181 29.713 13.808 2.152 possible 1205 162 . SER CA 3 C4H1s 0.770 1.880 4.740 19.052 13.351 1.427 possible 1206 162 . SER C 1 C3H0s 0.770 1.610 2.619 8.585 8.858 0.969 [OK] 1207 162 . SER O 16 O1H0u 0.660 1.420 5.342 28.686 15.860 1.809 possible 1208 162 . SER CB 8 C4H2s 0.770 1.880 4.346 32.601 23.599 1.381 possible 1209 162 . SER OG 17 O2H1u 0.660 1.460 4.203 47.144 18.021 2.616 possible 1210 163 . MET N 12 N3H1s 0.700 1.640 6.423 31.541 13.405 2.353 possible 1211 163 . MET CA 3 C4H1s 0.770 1.880 3.730 17.114 13.194 1.297 possible 1212 163 . MET C 1 C3H0s 0.770 1.610 3.684 12.213 8.756 1.395 possible 1213 163 . MET O 16 O1H0u 0.660 1.420 7.541 43.098 16.002 2.693 possible 1214 163 . MET CB 8 C4H2s 0.770 1.880 5.303 44.881 23.418 1.917 possible 1215 163 . MET CG 9 C4H2b 0.770 1.880 22.902 -1.000 23.830 -1.000 bad 1216 163 . MET SD 19 S2H0u 1.040 1.770 37.097 -1.000 30.207 -1.000 bad 1217 163 . MET CE 10 C4H3u 0.770 1.880 59.082 -1.000 37.003 -1.000 bad 1218 164 . ARG N 12 N3H1s 0.700 1.640 3.208 13.610 13.486 1.009 possible 1219 164 . ARG CA 3 C4H1s 0.770 1.880 2.742 11.705 13.310 0.879 [OK] 1220 164 . ARG C 1 C3H0s 0.770 1.610 3.128 9.865 8.779 1.124 possible 1221 164 . ARG O 16 O1H0u 0.660 1.420 2.702 15.033 15.916 0.944 [OK] 1222 164 . ARG CB 8 C4H2s 0.770 1.880 4.330 25.536 22.833 1.118 possible 1223 164 . ARG CG 8 C4H2s 0.770 1.880 7.194 79.513 23.273 3.417 possible 1224 164 . ARG CD 8 C4H2s 0.770 1.880 6.620 41.628 22.849 1.822 possible 1225 164 . ARG NE 13 N3H1b 0.700 1.640 7.333 36.391 15.019 2.423 possible 1226 164 . ARG CZ 2 C3H0b 0.770 1.610 3.710 -1.000 9.678 -1.000 bad 1227 164 . ARG NH1 15 N3H2u 0.700 1.640 51.838 -1.000 22.056 -1.000 bad 1228 164 . ARG NH2 15 N3H2u 0.700 1.640 53.228 -1.000 23.132 -1.000 bad 1229 165 . PRO N 11 N3H0u 0.700 1.640 3.692 11.467 8.650 1.326 possible 1230 165 . PRO CA 4 C4H1b 0.770 1.880 4.713 23.344 13.828 1.688 possible 1231 165 . PRO C 1 C3H0s 0.770 1.610 3.377 9.351 8.768 1.066 possible 1232 165 . PRO O 16 O1H0u 0.660 1.420 4.114 17.781 15.856 1.121 possible 1233 165 . PRO CB 9 C4H2b 0.770 1.880 37.861 -1.000 25.314 -1.000 bad 1234 165 . PRO CG 9 C4H2b 0.770 1.880 23.622 -1.000 25.480 -1.000 bad 1235 165 . PRO CD 8 C4H2s 0.770 1.880 17.365 -1.000 23.390 -1.000 bad 1236 166 . GLU N 12 N3H1s 0.700 1.640 3.710 14.161 13.461 1.052 possible 1237 166 . GLU CA 3 C4H1s 0.770 1.880 3.772 16.089 13.284 1.211 possible 1238 166 . GLU C 1 C3H0s 0.770 1.610 2.714 8.502 8.631 0.985 [OK] 1239 166 . GLU O 16 O1H0u 0.660 1.420 2.442 12.005 15.765 0.762 [OK] 1240 166 . GLU CB 8 C4H2s 0.770 1.880 16.194 -1.000 23.214 -1.000 bad 1241 166 . GLU CG 8 C4H2s 0.770 1.880 35.831 -1.000 23.304 -1.000 bad 1242 166 . GLU CD 2 C3H0b 0.770 1.610 3.341 -1.000 9.437 -1.000 bad 1243 166 . GLU OE1 16 O1H0u 0.660 1.420 11.029 -1.000 15.497 -1.000 bad 1244 166 . GLU OE2 16 O1H0u 0.660 1.420 34.987 -1.000 16.213 -1.000 bad 1245 167 . VAL N 12 N3H1s 0.700 1.640 4.818 20.137 13.553 1.486 possible 1246 167 . VAL CA 3 C4H1s 0.770 1.880 5.036 19.089 13.078 1.460 possible 1247 167 . VAL C 1 C3H0s 0.770 1.610 2.828 9.338 8.528 1.095 [OK] 1248 167 . VAL O 16 O1H0u 0.660 1.420 3.219 26.412 15.998 1.651 possible 1249 167 . VAL CB 4 C4H1b 0.770 1.880 10.776 -1.000 14.514 -1.000 bad 1250 167 . VAL CG1 10 C4H3u 0.770 1.880 4.283 44.406 36.320 1.223 possible 1251 167 . VAL CG2 10 C4H3u 0.770 1.880 7.021 53.744 36.173 1.486 possible 1252 168 . ALA N 12 N3H1s 0.700 1.640 2.402 12.201 13.872 0.880 [OK] 1253 168 . ALA CA 4 C4H1b 0.770 1.880 3.068 15.605 13.959 1.118 possible 1254 168 . ALA C 1 C3H0s 0.770 1.610 3.610 9.796 8.858 1.106 possible 1255 168 . ALA O 16 O1H0u 0.660 1.420 5.331 41.296 16.026 2.577 possible 1256 168 . ALA CB 10 C4H3u 0.770 1.880 5.036 50.144 36.551 1.372 possible 1257 169 . SER N 12 N3H1s 0.700 1.640 3.341 12.516 13.808 0.906 possible 1258 169 . SER CA 3 C4H1s 0.770 1.880 3.775 15.542 13.351 1.164 possible 1259 169 . SER C 1 C3H0s 0.770 1.610 3.065 9.144 8.858 1.032 possible 1260 169 . SER O 16 O1H0u 0.660 1.420 6.808 43.018 15.860 2.712 possible 1261 169 . SER CB 8 C4H2s 0.770 1.880 38.323 -1.000 23.599 -1.000 bad 1262 169 . SER OG 17 O2H1u 0.660 1.460 14.456 -1.000 18.021 -1.000 bad 1263 170 . THR N 12 N3H1s 0.700 1.640 2.592 11.569 13.544 0.854 [OK] 1264 170 . THR CA 3 C4H1s 0.770 1.880 3.849 14.683 13.025 1.127 possible 1265 170 . THR C 1 C3H0s 0.770 1.610 2.618 9.082 8.685 1.046 [OK] 1266 170 . THR O 16 O1H0u 0.660 1.420 2.779 19.248 15.795 1.219 [OK] 1267 170 . THR CB 4 C4H1b 0.770 1.880 4.095 25.207 14.687 1.716 possible 1268 170 . THR OG1 17 O2H1u 0.660 1.460 5.266 37.182 17.610 2.111 possible 1269 170 . THR CG2 10 C4H3u 0.770 1.880 6.241 101.299 36.265 2.793 possible 1270 171 . PHE N 12 N3H1s 0.700 1.640 2.787 13.810 13.524 1.021 [OK] 1271 171 . PHE CA 3 C4H1s 0.770 1.880 2.959 14.535 13.371 1.087 [OK] 1272 171 . PHE C 1 C3H0s 0.770 1.610 2.539 8.695 8.697 1.000 [OK] 1273 171 . PHE O 16 O1H0u 0.660 1.420 2.588 15.532 15.961 0.973 [OK] 1274 171 . PHE CB 8 C4H2s 0.770 1.880 3.001 23.872 23.623 1.011 possible 1275 171 . PHE CG 2 C3H0b 0.770 1.610 3.048 10.924 9.684 1.128 possible 1276 171 . PHE CD1 5 C3H1s 0.770 1.760 2.869 20.469 20.325 1.007 [OK] 1277 171 . PHE CD2 6 C3H1b 0.770 1.760 3.478 27.127 20.948 1.295 possible 1278 171 . PHE CE1 6 C3H1b 0.770 1.760 3.478 27.376 21.532 1.271 possible 1279 171 . PHE CE2 6 C3H1b 0.770 1.760 2.902 22.133 21.625 1.024 [OK] 1280 171 . PHE CZ 6 C3H1b 0.770 1.760 3.396 24.588 21.555 1.141 possible 1281 172 . LYS N 12 N3H1s 0.700 1.640 2.966 14.457 13.429 1.077 [OK] 1282 172 . LYS CA 3 C4H1s 0.770 1.880 3.204 16.930 13.217 1.281 possible 1283 172 . LYS C 1 C3H0s 0.770 1.610 2.698 8.301 8.696 0.955 [OK] 1284 172 . LYS O 16 O1H0u 0.660 1.420 2.666 14.165 15.818 0.895 [OK] 1285 172 . LYS CB 8 C4H2s 0.770 1.880 3.991 27.286 22.578 1.209 possible 1286 172 . LYS CG 8 C4H2s 0.770 1.880 4.439 38.298 22.847 1.676 possible 1287 172 . LYS CD 8 C4H2s 0.770 1.880 7.161 72.383 23.365 3.098 possible 1288 172 . LYS CE 9 C4H2b 0.770 1.880 7.196 66.059 23.720 2.785 possible 1289 172 . LYS NZ 14 N4H3u 0.700 1.640 46.521 -1.000 21.413 -1.000 bad 1290 173 . VAL N 12 N3H1s 0.700 1.640 3.859 16.051 13.553 1.184 possible 1291 173 . VAL CA 3 C4H1s 0.770 1.880 3.992 16.216 13.078 1.240 possible 1292 173 . VAL C 1 C3H0s 0.770 1.610 2.468 8.588 8.528 1.007 [OK] 1293 173 . VAL O 16 O1H0u 0.660 1.420 3.305 16.460 15.998 1.029 possible 1294 173 . VAL CB 4 C4H1b 0.770 1.880 7.813 47.043 14.514 3.241 possible 1295 173 . VAL CG1 10 C4H3u 0.770 1.880 4.217 40.648 36.320 1.119 possible 1296 173 . VAL CG2 10 C4H3u 0.770 1.880 40.231 -1.000 36.173 -1.000 bad 1297 174 . LEU N 12 N3H1s 0.700 1.640 2.615 12.887 13.517 0.953 [OK] 1298 174 . LEU CA 3 C4H1s 0.770 1.880 2.956 13.919 13.055 1.066 [OK] 1299 174 . LEU C 1 C3H0s 0.770 1.610 3.117 9.209 8.781 1.049 possible 1300 174 . LEU O 16 O1H0u 0.660 1.420 2.904 16.132 15.957 1.011 [OK] 1301 174 . LEU CB 8 C4H2s 0.770 1.880 3.401 21.307 22.818 0.934 possible 1302 174 . LEU CG 4 C4H1b 0.770 1.880 3.278 16.279 14.704 1.107 possible 1303 174 . LEU CD1 10 C4H3u 0.770 1.880 3.080 38.807 37.235 1.042 possible 1304 174 . LEU CD2 10 C4H3u 0.770 1.880 3.479 41.692 37.020 1.126 possible 1305 175 . ARG N 12 N3H1s 0.700 1.640 3.272 13.873 13.486 1.029 possible 1306 175 . ARG CA 3 C4H1s 0.770 1.880 3.641 19.558 13.310 1.469 possible 1307 175 . ARG C 1 C3H0s 0.770 1.610 2.933 8.653 8.779 0.986 [OK] 1308 175 . ARG O 16 O1H0u 0.660 1.420 3.621 16.928 15.916 1.064 possible 1309 175 . ARG CB 8 C4H2s 0.770 1.880 3.553 25.690 22.833 1.125 possible 1310 175 . ARG CG 8 C4H2s 0.770 1.880 4.451 34.332 23.273 1.475 possible 1311 175 . ARG CD 8 C4H2s 0.770 1.880 7.331 50.550 22.849 2.212 possible 1312 175 . ARG NE 13 N3H1b 0.700 1.640 3.109 21.043 15.019 1.401 possible 1313 175 . ARG CZ 2 C3H0b 0.770 1.610 2.671 9.494 9.678 0.981 [OK] 1314 175 . ARG NH1 15 N3H2u 0.700 1.640 25.120 -1.000 22.056 -1.000 bad 1315 175 . ARG NH2 15 N3H2u 0.700 1.640 4.201 34.102 23.132 1.474 possible 1316 176 . ASN N 12 N3H1s 0.700 1.640 2.679 12.160 13.525 0.899 [OK] 1317 176 . ASN CA 3 C4H1s 0.770 1.880 4.648 21.104 13.052 1.617 possible 1318 176 . ASN C 1 C3H0s 0.770 1.610 4.335 9.403 8.853 1.062 possible 1319 176 . ASN O 16 O1H0u 0.660 1.420 4.102 18.403 15.857 1.161 possible 1320 176 . ASN CB 8 C4H2s 0.770 1.880 19.947 -1.000 22.756 -1.000 bad 1321 176 . ASN CG 2 C3H0b 0.770 1.610 6.764 17.493 9.537 1.834 possible 1322 176 . ASN OD1 16 O1H0u 0.660 1.420 6.798 65.046 16.247 4.004 possible 1323 176 . ASN ND2 15 N3H2u 0.700 1.640 37.815 -1.000 22.525 -1.000 bad 1324 177 . VAL N 12 N3H1s 0.700 1.640 4.546 14.955 13.553 1.103 possible 1325 177 . VAL CA 3 C4H1s 0.770 1.880 4.976 21.090 13.078 1.613 possible 1326 177 . VAL C 1 C3H0s 0.770 1.610 2.577 7.620 8.528 0.894 [OK] 1327 177 . VAL O 16 O1H0u 0.660 1.420 2.549 13.172 15.998 0.823 [OK] 1328 177 . VAL CB 4 C4H1b 0.770 1.880 3.056 13.958 14.514 0.962 possible 1329 177 . VAL CG1 10 C4H3u 0.770 1.880 4.178 55.209 36.320 1.520 possible 1330 177 . VAL CG2 10 C4H3u 0.770 1.880 25.500 -1.000 36.173 -1.000 bad 1331 178 . THR N 12 N3H1s 0.700 1.640 2.648 13.024 13.544 0.962 [OK] 1332 178 . THR CA 3 C4H1s 0.770 1.880 3.351 15.304 13.025 1.175 possible 1333 178 . THR C 1 C3H0s 0.770 1.610 2.702 8.132 8.685 0.936 [OK] 1334 178 . THR O 16 O1H0u 0.660 1.420 2.624 14.880 15.795 0.942 [OK] 1335 178 . THR CB 4 C4H1b 0.770 1.880 3.370 17.220 14.687 1.172 possible 1336 178 . THR OG1 17 O2H1u 0.660 1.460 2.998 29.171 17.610 1.657 [OK] 1337 178 . THR CG2 10 C4H3u 0.770 1.880 3.272 43.793 36.265 1.208 possible 1338 179 . VAL N 12 N3H1s 0.700 1.640 2.901 14.568 13.553 1.075 [OK] 1339 179 . VAL CA 3 C4H1s 0.770 1.880 3.109 15.207 13.078 1.163 possible 1340 179 . VAL C 1 C3H0s 0.770 1.610 2.458 7.596 8.528 0.891 [OK] 1341 179 . VAL O 16 O1H0u 0.660 1.420 3.154 20.182 15.998 1.262 possible 1342 179 . VAL CB 4 C4H1b 0.770 1.880 4.655 18.536 14.514 1.277 possible 1343 179 . VAL CG1 10 C4H3u 0.770 1.880 35.512 -1.000 36.320 -1.000 bad 1344 179 . VAL CG2 10 C4H3u 0.770 1.880 4.610 47.278 36.173 1.307 possible 1345 180 . VAL N 12 N3H1s 0.700 1.640 2.688 13.328 13.553 0.983 [OK] 1346 180 . VAL CA 3 C4H1s 0.770 1.880 5.231 24.162 13.078 1.848 possible 1347 180 . VAL C 1 C3H0s 0.770 1.610 2.763 8.241 8.528 0.966 [OK] 1348 180 . VAL O 16 O1H0u 0.660 1.420 8.779 -1.000 15.998 -1.000 bad 1349 180 . VAL CB 4 C4H1b 0.770 1.880 14.069 -1.000 14.514 -1.000 bad 1350 180 . VAL CG1 10 C4H3u 0.770 1.880 39.973 -1.000 36.320 -1.000 bad 1351 180 . VAL CG2 10 C4H3u 0.770 1.880 29.014 -1.000 36.173 -1.000 bad 1352 181 . LEU N 12 N3H1s 0.700 1.640 2.719 11.718 13.517 0.867 [OK] 1353 181 . LEU CA 3 C4H1s 0.770 1.880 3.634 14.439 13.055 1.106 possible 1354 181 . LEU C 1 C3H0s 0.770 1.610 2.549 8.757 8.781 0.997 [OK] 1355 181 . LEU O 16 O1H0u 0.660 1.420 2.445 15.226 15.957 0.954 [OK] 1356 181 . LEU CB 8 C4H2s 0.770 1.880 3.235 20.680 22.818 0.906 possible 1357 181 . LEU CG 4 C4H1b 0.770 1.880 3.437 18.997 14.704 1.292 possible 1358 181 . LEU CD1 10 C4H3u 0.770 1.880 3.378 34.726 37.235 0.933 possible 1359 181 . LEU CD2 10 C4H3u 0.770 1.880 5.667 63.818 37.020 1.724 possible 1360 182 . TRP N 12 N3H1s 0.700 1.640 2.395 12.306 13.639 0.902 [OK] 1361 182 . TRP CA 3 C4H1s 0.770 1.880 2.444 12.448 13.323 0.934 [OK] 1362 182 . TRP C 1 C3H0s 0.770 1.610 2.587 8.494 8.687 0.978 [OK] 1363 182 . TRP O 16 O1H0u 0.660 1.420 2.311 14.891 15.797 0.943 [OK] 1364 182 . TRP CB 8 C4H2s 0.770 1.880 3.097 27.921 23.826 1.172 possible 1365 182 . TRP CG 2 C3H0b 0.770 1.610 2.648 9.697 9.915 0.978 [OK] 1366 182 . TRP CD1 5 C3H1s 0.770 1.760 2.998 22.424 20.597 1.089 [OK] 1367 182 . TRP CD2 2 C3H0b 0.770 1.610 2.715 10.029 10.068 0.996 [OK] 1368 182 . TRP NE1 13 N3H1b 0.700 1.640 2.896 19.415 16.723 1.161 [OK] 1369 182 . TRP CE2 2 C3H0b 0.770 1.610 2.717 10.718 9.848 1.088 [OK] 1370 182 . TRP CE3 6 C3H1b 0.770 1.760 2.960 26.680 20.383 1.309 [OK] 1371 182 . TRP CZ2 6 C3H1b 0.770 1.760 3.059 24.005 20.931 1.147 possible 1372 182 . TRP CZ3 6 C3H1b 0.770 1.760 2.949 25.675 21.429 1.198 [OK] 1373 182 . TRP CH2 6 C3H1b 0.770 1.760 2.931 17.736 21.219 0.836 [OK] 1374 183 . SER N 12 N3H1s 0.700 1.640 2.821 15.808 13.808 1.145 [OK] 1375 183 . SER CA 3 C4H1s 0.770 1.880 3.547 16.880 13.351 1.264 possible 1376 183 . SER C 1 C3H0s 0.770 1.610 3.026 8.662 8.858 0.978 possible 1377 183 . SER O 16 O1H0u 0.660 1.420 4.384 22.284 15.860 1.405 possible 1378 183 . SER CB 8 C4H2s 0.770 1.880 4.449 37.448 23.599 1.587 possible 1379 183 . SER OG 17 O2H1u 0.660 1.460 35.001 -1.000 18.021 -1.000 bad 1380 184 . ALA N 12 N3H1s 0.700 1.640 3.702 14.655 13.872 1.056 possible 1381 184 . ALA CA 4 C4H1b 0.770 1.880 7.239 31.226 13.959 2.237 possible 1382 184 . ALA C 1 C3H0s 0.770 1.610 2.686 8.727 8.858 0.985 [OK] 1383 184 . ALA O 16 O1H0u 0.660 1.420 4.028 17.607 16.026 1.099 possible 1384 184 . ALA CB 10 C4H3u 0.770 1.880 14.513 -1.000 36.551 -1.000 bad 1385 185 . TYR N 12 N3H1s 0.700 1.640 2.881 14.831 13.473 1.101 [OK] 1386 185 . TYR CA 3 C4H1s 0.770 1.880 3.278 15.487 13.249 1.169 possible 1387 185 . TYR C 1 C3H0s 0.770 1.610 2.277 8.224 8.714 0.944 [OK] 1388 185 . TYR O 16 O1H0u 0.660 1.420 2.412 16.368 15.901 1.029 [OK] 1389 185 . TYR CB 8 C4H2s 0.770 1.880 2.738 19.469 23.426 0.831 [OK] 1390 185 . TYR CG 2 C3H0b 0.770 1.610 2.784 9.189 9.695 0.948 [OK] 1391 185 . TYR CD1 5 C3H1s 0.770 1.760 2.680 18.140 20.057 0.904 [OK] 1392 185 . TYR CD2 5 C3H1s 0.770 1.760 3.109 21.952 20.578 1.067 possible 1393 185 . TYR CE1 5 C3H1s 0.770 1.760 3.010 22.334 20.534 1.088 possible 1394 185 . TYR CE2 5 C3H1s 0.770 1.760 2.889 23.222 20.577 1.129 [OK] 1395 185 . TYR CZ 2 C3H0b 0.770 1.610 2.480 9.262 9.888 0.937 [OK] 1396 185 . TYR OH 17 O2H1u 0.660 1.460 2.740 20.935 18.541 1.129 [OK] 1397 186 . PRO N 11 N3H0u 0.700 1.640 2.298 8.560 8.650 0.990 [OK] 1398 186 . PRO CA 4 C4H1b 0.770 1.880 2.765 14.872 13.828 1.076 [OK] 1399 186 . PRO C 1 C3H0s 0.770 1.610 2.641 8.471 8.768 0.966 [OK] 1400 186 . PRO O 16 O1H0u 0.660 1.420 2.384 14.232 15.856 0.898 [OK] 1401 186 . PRO CB 9 C4H2b 0.770 1.880 4.540 31.879 25.314 1.259 possible 1402 186 . PRO CG 9 C4H2b 0.770 1.880 5.125 30.857 25.480 1.211 possible 1403 186 . PRO CD 8 C4H2s 0.770 1.880 2.726 19.532 23.390 0.835 [OK] 1404 187 . VAL N 12 N3H1s 0.700 1.640 3.038 13.767 13.553 1.016 possible 1405 187 . VAL CA 3 C4H1s 0.770 1.880 3.569 15.123 13.078 1.156 possible 1406 187 . VAL C 1 C3H0s 0.770 1.610 3.319 9.413 8.528 1.104 possible 1407 187 . VAL O 16 O1H0u 0.660 1.420 3.273 18.062 15.998 1.129 possible 1408 187 . VAL CB 4 C4H1b 0.770 1.880 6.124 26.795 14.514 1.846 possible 1409 187 . VAL CG1 10 C4H3u 0.770 1.880 45.443 -1.000 36.320 -1.000 bad 1410 187 . VAL CG2 10 C4H3u 0.770 1.880 37.660 -1.000 36.173 -1.000 bad 1411 188 . VAL N 12 N3H1s 0.700 1.640 2.833 12.104 13.553 0.893 [OK] 1412 188 . VAL CA 3 C4H1s 0.770 1.880 3.281 15.260 13.078 1.167 possible 1413 188 . VAL C 1 C3H0s 0.770 1.610 2.560 9.578 8.528 1.123 [OK] 1414 188 . VAL O 16 O1H0u 0.660 1.420 2.662 17.293 15.998 1.081 [OK] 1415 188 . VAL CB 4 C4H1b 0.770 1.880 2.781 13.520 14.514 0.932 [OK] 1416 188 . VAL CG1 10 C4H3u 0.770 1.880 3.300 36.006 36.320 0.991 possible 1417 188 . VAL CG2 10 C4H3u 0.770 1.880 6.002 75.521 36.173 2.088 possible 1418 189 . TRP N 12 N3H1s 0.700 1.640 2.643 14.197 13.639 1.041 [OK] 1419 189 . TRP CA 3 C4H1s 0.770 1.880 2.842 12.999 13.323 0.976 [OK] 1420 189 . TRP C 1 C3H0s 0.770 1.610 2.563 9.152 8.687 1.054 [OK] 1421 189 . TRP O 16 O1H0u 0.660 1.420 2.411 17.440 15.797 1.104 [OK] 1422 189 . TRP CB 8 C4H2s 0.770 1.880 2.765 21.334 23.826 0.895 [OK] 1423 189 . TRP CG 2 C3H0b 0.770 1.610 2.583 10.110 9.915 1.020 [OK] 1424 189 . TRP CD1 5 C3H1s 0.770 1.760 2.909 23.078 20.597 1.120 [OK] 1425 189 . TRP CD2 2 C3H0b 0.770 1.610 2.692 10.678 10.068 1.061 [OK] 1426 189 . TRP NE1 13 N3H1b 0.700 1.640 2.833 16.956 16.723 1.014 [OK] 1427 189 . TRP CE2 2 C3H0b 0.770 1.610 2.706 9.978 9.848 1.013 [OK] 1428 189 . TRP CE3 6 C3H1b 0.770 1.760 3.152 23.738 20.383 1.165 possible 1429 189 . TRP CZ2 6 C3H1b 0.770 1.760 3.036 19.005 20.931 0.908 possible 1430 189 . TRP CZ3 6 C3H1b 0.770 1.760 3.264 24.819 21.429 1.158 possible 1431 189 . TRP CH2 6 C3H1b 0.770 1.760 3.307 21.224 21.219 1.000 possible 1432 190 . LEU N 12 N3H1s 0.700 1.640 2.688 15.579 13.517 1.153 [OK] 1433 190 . LEU CA 3 C4H1s 0.770 1.880 3.066 12.721 13.055 0.974 possible 1434 190 . LEU C 1 C3H0s 0.770 1.610 2.340 9.057 8.781 1.031 [OK] 1435 190 . LEU O 16 O1H0u 0.660 1.420 7.209 43.738 15.957 2.741 possible 1436 190 . LEU CB 8 C4H2s 0.770 1.880 3.475 25.811 22.818 1.131 possible 1437 190 . LEU CG 4 C4H1b 0.770 1.880 6.949 30.925 14.704 2.103 possible 1438 190 . LEU CD1 10 C4H3u 0.770 1.880 34.107 -1.000 37.235 -1.000 bad 1439 190 . LEU CD2 10 C4H3u 0.770 1.880 6.152 53.162 37.020 1.436 possible 1440 191 . ILE N 12 N3H1s 0.700 1.640 2.540 13.978 13.493 1.036 [OK] 1441 191 . ILE CA 3 C4H1s 0.770 1.880 3.007 13.107 12.946 1.012 possible 1442 191 . ILE C 1 C3H0s 0.770 1.610 2.576 8.905 8.445 1.055 [OK] 1443 191 . ILE O 16 O1H0u 0.660 1.420 3.025 16.026 15.930 1.006 possible 1444 191 . ILE CB 4 C4H1b 0.770 1.880 4.012 17.240 14.146 1.219 possible 1445 191 . ILE CG1 9 C4H2b 0.770 1.880 3.236 25.061 24.071 1.041 possible 1446 191 . ILE CG2 10 C4H3u 0.770 1.880 26.017 -1.000 35.763 -1.000 bad 1447 191 . ILE CD1 10 C4H3u 0.770 1.880 6.014 75.861 38.219 1.985 possible 1448 192 . GLY N 12 N3H1s 0.700 1.640 2.605 17.068 14.480 1.179 [OK] 1449 192 . GLY CA 8 C4H2s 0.770 1.880 2.953 20.928 23.470 0.892 [OK] 1450 192 . GLY C 2 C3H0b 0.770 1.610 2.508 10.073 9.652 1.044 [OK] 1451 192 . GLY O 16 O1H0u 0.660 1.420 3.518 19.895 16.154 1.232 possible 1452 193 . SER N 12 N3H1s 0.700 1.640 2.606 13.232 13.808 0.958 [OK] 1453 193 . SER CA 3 C4H1s 0.770 1.880 3.387 17.989 13.351 1.347 possible 1454 193 . SER C 1 C3H0s 0.770 1.610 2.652 7.907 8.858 0.893 [OK] 1455 193 . SER O 16 O1H0u 0.660 1.420 3.584 34.468 15.860 2.173 possible 1456 193 . SER CB 8 C4H2s 0.770 1.880 4.227 35.375 23.599 1.499 possible 1457 193 . SER OG 17 O2H1u 0.660 1.460 2.663 21.457 18.021 1.191 [OK] 1458 194 . GLU N 12 N3H1s 0.700 1.640 2.594 13.342 13.461 0.991 [OK] 1459 194 . GLU CA 3 C4H1s 0.770 1.880 3.869 15.440 13.284 1.162 possible 1460 194 . GLU C 1 C3H0s 0.770 1.610 3.162 10.679 8.631 1.237 possible 1461 194 . GLU O 16 O1H0u 0.660 1.420 2.802 14.893 15.765 0.945 [OK] 1462 194 . GLU CB 8 C4H2s 0.770 1.880 2.772 18.765 23.214 0.808 [OK] 1463 194 . GLU CG 8 C4H2s 0.770 1.880 3.936 24.499 23.304 1.051 possible 1464 194 . GLU CD 2 C3H0b 0.770 1.610 3.659 9.909 9.437 1.050 possible 1465 194 . GLU OE1 16 O1H0u 0.660 1.420 2.562 14.123 15.497 0.911 [OK] 1466 194 . GLU OE2 16 O1H0u 0.660 1.420 3.538 27.542 16.213 1.699 possible 1467 195 . GLY N 12 N3H1s 0.700 1.640 3.822 18.737 14.480 1.294 possible 1468 195 . GLY CA 8 C4H2s 0.770 1.880 3.183 24.382 23.470 1.039 possible 1469 195 . GLY C 2 C3H0b 0.770 1.610 2.618 9.535 9.652 0.988 [OK] 1470 195 . GLY O 16 O1H0u 0.660 1.420 3.748 37.951 16.154 2.349 possible 1471 196 . ALA N 12 N3H1s 0.700 1.640 3.011 17.052 13.872 1.229 possible 1472 196 . ALA CA 4 C4H1b 0.770 1.880 4.268 24.329 13.959 1.743 possible 1473 196 . ALA C 1 C3H0s 0.770 1.610 3.790 12.222 8.858 1.380 possible 1474 196 . ALA O 16 O1H0u 0.660 1.420 4.205 41.285 16.026 2.576 possible 1475 196 . ALA CB 10 C4H3u 0.770 1.880 25.019 -1.000 36.551 -1.000 bad 1476 197 . GLY N 12 N3H1s 0.700 1.640 5.012 19.297 14.480 1.333 possible 1477 197 . GLY CA 8 C4H2s 0.770 1.880 3.884 28.289 23.470 1.205 possible 1478 197 . GLY C 2 C3H0b 0.770 1.610 3.854 12.386 9.652 1.283 possible 1479 197 . GLY O 16 O1H0u 0.660 1.420 6.662 49.540 16.154 3.067 possible 1480 198 . ILE N 12 N3H1s 0.700 1.640 2.661 12.633 13.493 0.936 [OK] 1481 198 . ILE CA 3 C4H1s 0.770 1.880 5.079 18.776 12.946 1.450 possible 1482 198 . ILE C 1 C3H0s 0.770 1.610 2.555 8.935 8.445 1.058 [OK] 1483 198 . ILE O 16 O1H0u 0.660 1.420 17.058 -1.000 15.930 -1.000 bad 1484 198 . ILE CB 4 C4H1b 0.770 1.880 3.644 14.017 14.146 0.991 possible 1485 198 . ILE CG1 9 C4H2b 0.770 1.880 13.404 -1.000 24.071 -1.000 bad 1486 198 . ILE CG2 10 C4H3u 0.770 1.880 47.488 -1.000 35.763 -1.000 bad 1487 198 . ILE CD1 10 C4H3u 0.770 1.880 42.725 -1.000 38.219 -1.000 bad 1488 199 . VAL N 12 N3H1s 0.700 1.640 2.848 14.155 13.553 1.044 [OK] 1489 199 . VAL CA 3 C4H1s 0.770 1.880 3.567 13.414 13.078 1.026 possible 1490 199 . VAL C 1 C3H0s 0.770 1.610 2.651 8.987 8.528 1.054 [OK] 1491 199 . VAL O 16 O1H0u 0.660 1.420 2.446 13.309 15.998 0.832 [OK] 1492 199 . VAL CB 4 C4H1b 0.770 1.880 3.336 18.803 14.514 1.296 possible 1493 199 . VAL CG1 10 C4H3u 0.770 1.880 3.301 33.608 36.320 0.925 possible 1494 199 . VAL CG2 10 C4H3u 0.770 1.880 36.034 -1.000 36.173 -1.000 bad 1495 200 . PRO N 11 N3H0u 0.700 1.640 3.051 11.564 8.650 1.337 possible 1496 200 . PRO CA 4 C4H1b 0.770 1.880 3.892 18.769 13.828 1.357 possible 1497 200 . PRO C 1 C3H0s 0.770 1.610 3.686 13.310 8.768 1.518 possible 1498 200 . PRO O 16 O1H0u 0.660 1.420 3.256 17.851 15.856 1.126 possible 1499 200 . PRO CB 9 C4H2b 0.770 1.880 25.021 -1.000 25.314 -1.000 bad 1500 200 . PRO CG 9 C4H2b 0.770 1.880 37.721 -1.000 25.480 -1.000 bad 1501 200 . PRO CD 8 C4H2s 0.770 1.880 15.524 -1.000 23.390 -1.000 bad 1502 201 . LEU N 12 N3H1s 0.700 1.640 3.965 21.661 13.517 1.602 possible 1503 201 . LEU CA 3 C4H1s 0.770 1.880 3.700 14.617 13.055 1.120 possible 1504 201 . LEU C 1 C3H0s 0.770 1.610 2.591 9.156 8.781 1.043 [OK] 1505 201 . LEU O 16 O1H0u 0.660 1.420 2.657 14.970 15.957 0.938 [OK] 1506 201 . LEU CB 8 C4H2s 0.770 1.880 5.993 47.988 22.818 2.103 possible 1507 201 . LEU CG 4 C4H1b 0.770 1.880 2.773 13.496 14.704 0.918 [OK] 1508 201 . LEU CD1 10 C4H3u 0.770 1.880 4.200 57.733 37.235 1.550 possible 1509 201 . LEU CD2 10 C4H3u 0.770 1.880 5.003 47.435 37.020 1.281 possible 1510 202 . ASN N 12 N3H1s 0.700 1.640 4.650 22.872 13.525 1.691 possible 1511 202 . ASN CA 3 C4H1s 0.770 1.880 3.104 13.155 13.052 1.008 possible 1512 202 . ASN C 1 C3H0s 0.770 1.610 2.878 8.225 8.853 0.929 [OK] 1513 202 . ASN O 16 O1H0u 0.660 1.420 2.760 17.901 15.857 1.129 [OK] 1514 202 . ASN CB 8 C4H2s 0.770 1.880 6.242 56.771 22.756 2.495 possible 1515 202 . ASN CG 2 C3H0b 0.770 1.610 2.965 9.914 9.537 1.039 [OK] 1516 202 . ASN OD1 16 O1H0u 0.660 1.420 29.775 -1.000 16.247 -1.000 bad 1517 202 . ASN ND2 15 N3H2u 0.700 1.640 3.834 24.696 22.525 1.096 possible 1518 203 . ILE N 12 N3H1s 0.700 1.640 3.266 18.322 13.493 1.358 possible 1519 203 . ILE CA 3 C4H1s 0.770 1.880 3.156 14.493 12.946 1.119 possible 1520 203 . ILE C 1 C3H0s 0.770 1.610 2.177 7.782 8.445 0.922 [OK] 1521 203 . ILE O 16 O1H0u 0.660 1.420 2.683 14.626 15.930 0.918 [OK] 1522 203 . ILE CB 4 C4H1b 0.770 1.880 3.176 12.710 14.146 0.898 possible 1523 203 . ILE CG1 9 C4H2b 0.770 1.880 22.400 -1.000 24.071 -1.000 bad 1524 203 . ILE CG2 10 C4H3u 0.770 1.880 7.657 63.433 35.763 1.774 possible 1525 203 . ILE CD1 10 C4H3u 0.770 1.880 47.618 -1.000 38.219 -1.000 bad 1526 204 . GLU N 12 N3H1s 0.700 1.640 2.764 14.534 13.461 1.080 [OK] 1527 204 . GLU CA 3 C4H1s 0.770 1.880 2.641 12.882 13.284 0.970 [OK] 1528 204 . GLU C 1 C3H0s 0.770 1.610 3.312 9.081 8.631 1.052 possible 1529 204 . GLU O 16 O1H0u 0.660 1.420 3.027 18.437 15.765 1.169 possible 1530 204 . GLU CB 8 C4H2s 0.770 1.880 3.866 29.465 23.214 1.269 possible 1531 204 . GLU CG 8 C4H2s 0.770 1.880 2.619 17.461 23.304 0.749 [OK] 1532 204 . GLU CD 2 C3H0b 0.770 1.610 2.676 9.509 9.437 1.008 [OK] 1533 204 . GLU OE1 16 O1H0u 0.660 1.420 2.745 19.623 15.497 1.266 [OK] 1534 204 . GLU OE2 16 O1H0u 0.660 1.420 2.800 18.943 16.213 1.168 [OK] 1535 205 . THR N 12 N3H1s 0.700 1.640 3.250 13.513 13.544 0.998 possible 1536 205 . THR CA 3 C4H1s 0.770 1.880 3.151 14.973 13.025 1.150 possible 1537 205 . THR C 1 C3H0s 0.770 1.610 2.237 8.291 8.685 0.955 [OK] 1538 205 . THR O 16 O1H0u 0.660 1.420 2.940 20.197 15.795 1.279 [OK] 1539 205 . THR CB 4 C4H1b 0.770 1.880 2.722 13.804 14.687 0.940 [OK] 1540 205 . THR OG1 17 O2H1u 0.660 1.460 3.031 21.105 17.610 1.198 possible 1541 205 . THR CG2 10 C4H3u 0.770 1.880 3.440 31.729 36.265 0.875 possible 1542 206 . LEU N 12 N3H1s 0.700 1.640 2.464 13.200 13.517 0.977 [OK] 1543 206 . LEU CA 3 C4H1s 0.770 1.880 3.005 13.205 13.055 1.011 possible 1544 206 . LEU C 1 C3H0s 0.770 1.610 2.241 7.882 8.781 0.898 [OK] 1545 206 . LEU O 16 O1H0u 0.660 1.420 2.439 12.979 15.957 0.813 [OK] 1546 206 . LEU CB 8 C4H2s 0.770 1.880 3.201 23.428 22.818 1.027 possible 1547 206 . LEU CG 4 C4H1b 0.770 1.880 4.110 18.086 14.704 1.230 possible 1548 206 . LEU CD1 10 C4H3u 0.770 1.880 11.759 -1.000 37.235 -1.000 bad 1549 206 . LEU CD2 10 C4H3u 0.770 1.880 32.963 -1.000 37.020 -1.000 bad 1550 207 . LEU N 12 N3H1s 0.700 1.640 2.640 13.102 13.517 0.969 [OK] 1551 207 . LEU CA 3 C4H1s 0.770 1.880 3.829 15.711 13.055 1.203 possible 1552 207 . LEU C 1 C3H0s 0.770 1.610 2.918 8.891 8.781 1.013 [OK] 1553 207 . LEU O 16 O1H0u 0.660 1.420 3.298 17.336 15.957 1.086 possible 1554 207 . LEU CB 8 C4H2s 0.770 1.880 3.242 24.485 22.818 1.073 possible 1555 207 . LEU CG 4 C4H1b 0.770 1.880 6.182 35.660 14.704 2.425 possible 1556 207 . LEU CD1 10 C4H3u 0.770 1.880 30.883 -1.000 37.235 -1.000 bad 1557 207 . LEU CD2 10 C4H3u 0.770 1.880 3.744 49.653 37.020 1.341 possible 1558 208 . PHE N 12 N3H1s 0.700 1.640 2.852 14.277 13.524 1.056 [OK] 1559 208 . PHE CA 3 C4H1s 0.770 1.880 3.074 13.229 13.371 0.989 possible 1560 208 . PHE C 1 C3H0s 0.770 1.610 2.822 9.119 8.697 1.049 [OK] 1561 208 . PHE O 16 O1H0u 0.660 1.420 2.679 16.547 15.961 1.037 [OK] 1562 208 . PHE CB 8 C4H2s 0.770 1.880 3.062 25.097 23.623 1.062 possible 1563 208 . PHE CG 2 C3H0b 0.770 1.610 2.701 11.293 9.684 1.166 [OK] 1564 208 . PHE CD1 5 C3H1s 0.770 1.760 3.131 24.850 20.325 1.223 possible 1565 208 . PHE CD2 6 C3H1b 0.770 1.760 3.735 28.217 20.948 1.347 possible 1566 208 . PHE CE1 6 C3H1b 0.770 1.760 3.098 21.118 21.532 0.981 possible 1567 208 . PHE CE2 6 C3H1b 0.770 1.760 3.758 33.221 21.625 1.536 possible 1568 208 . PHE CZ 6 C3H1b 0.770 1.760 3.006 24.008 21.555 1.114 possible 1569 209 . MET N 12 N3H1s 0.700 1.640 3.044 15.099 13.405 1.126 possible 1570 209 . MET CA 3 C4H1s 0.770 1.880 3.377 15.860 13.194 1.202 possible 1571 209 . MET C 1 C3H0s 0.770 1.610 2.203 8.163 8.756 0.932 [OK] 1572 209 . MET O 16 O1H0u 0.660 1.420 2.675 13.399 16.002 0.837 [OK] 1573 209 . MET CB 8 C4H2s 0.770 1.880 3.220 28.862 23.418 1.232 possible 1574 209 . MET CG 9 C4H2b 0.770 1.880 3.461 27.816 23.830 1.167 possible 1575 209 . MET SD 19 S2H0u 1.040 1.770 3.376 34.483 30.207 1.142 possible 1576 209 . MET CE 10 C4H3u 0.770 1.880 4.935 46.011 37.003 1.243 possible 1577 210 . VAL N 12 N3H1s 0.700 1.640 2.707 13.566 13.553 1.001 [OK] 1578 210 . VAL CA 3 C4H1s 0.770 1.880 4.067 16.212 13.078 1.240 possible 1579 210 . VAL C 1 C3H0s 0.770 1.610 2.817 7.759 8.528 0.910 [OK] 1580 210 . VAL O 16 O1H0u 0.660 1.420 3.374 18.030 15.998 1.127 possible 1581 210 . VAL CB 4 C4H1b 0.770 1.880 4.209 16.161 14.514 1.113 possible 1582 210 . VAL CG1 10 C4H3u 0.770 1.880 51.776 -1.000 36.320 -1.000 bad 1583 210 . VAL CG2 10 C4H3u 0.770 1.880 19.310 -1.000 36.173 -1.000 bad 1584 211 . LEU N 12 N3H1s 0.700 1.640 2.977 13.100 13.517 0.969 [OK] 1585 211 . LEU CA 3 C4H1s 0.770 1.880 3.883 16.318 13.055 1.250 possible 1586 211 . LEU C 1 C3H0s 0.770 1.610 2.199 8.202 8.781 0.934 [OK] 1587 211 . LEU O 16 O1H0u 0.660 1.420 2.613 14.426 15.957 0.904 [OK] 1588 211 . LEU CB 8 C4H2s 0.770 1.880 3.024 24.130 22.818 1.057 possible 1589 211 . LEU CG 4 C4H1b 0.770 1.880 3.282 19.837 14.704 1.349 possible 1590 211 . LEU CD1 10 C4H3u 0.770 1.880 6.729 62.245 37.235 1.672 possible 1591 211 . LEU CD2 10 C4H3u 0.770 1.880 19.405 -1.000 37.020 -1.000 bad 1592 212 . ASP N 12 N3H1s 0.700 1.640 2.282 12.472 13.654 0.913 [OK] 1593 212 . ASP CA 3 C4H1s 0.770 1.880 2.751 13.258 13.254 1.000 [OK] 1594 212 . ASP C 1 C3H0s 0.770 1.610 2.653 9.007 8.750 1.029 [OK] 1595 212 . ASP O 16 O1H0u 0.660 1.420 2.596 16.037 15.757 1.018 [OK] 1596 212 . ASP CB 8 C4H2s 0.770 1.880 3.427 25.305 23.022 1.099 possible 1597 212 . ASP CG 2 C3H0b 0.770 1.610 2.968 10.655 9.336 1.141 [OK] 1598 212 . ASP OD1 16 O1H0u 0.660 1.420 2.540 19.070 15.078 1.265 [OK] 1599 212 . ASP OD2 16 O1H0u 0.660 1.420 2.716 18.168 15.582 1.166 [OK] 1600 213 . VAL N 12 N3H1s 0.700 1.640 3.175 15.383 13.553 1.135 possible 1601 213 . VAL CA 3 C4H1s 0.770 1.880 3.056 15.198 13.078 1.162 possible 1602 213 . VAL C 1 C3H0s 0.770 1.610 2.774 8.032 8.528 0.942 [OK] 1603 213 . VAL O 16 O1H0u 0.660 1.420 3.749 19.941 15.998 1.246 possible 1604 213 . VAL CB 4 C4H1b 0.770 1.880 3.432 16.775 14.514 1.156 possible 1605 213 . VAL CG1 10 C4H3u 0.770 1.880 12.717 -1.000 36.320 -1.000 bad 1606 213 . VAL CG2 10 C4H3u 0.770 1.880 13.913 -1.000 36.173 -1.000 bad 1607 214 . SER N 12 N3H1s 0.700 1.640 3.141 13.016 13.808 0.943 possible 1608 214 . SER CA 3 C4H1s 0.770 1.880 5.918 24.442 13.351 1.831 possible 1609 214 . SER C 1 C3H0s 0.770 1.610 2.445 8.919 8.858 1.007 [OK] 1610 214 . SER O 16 O1H0u 0.660 1.420 3.607 22.950 15.860 1.447 possible 1611 214 . SER CB 8 C4H2s 0.770 1.880 6.389 43.834 23.599 1.857 possible 1612 214 . SER OG 17 O2H1u 0.660 1.460 29.191 -1.000 18.021 -1.000 bad 1613 215 . ALA N 12 N3H1s 0.700 1.640 2.460 12.630 13.872 0.910 [OK] 1614 215 . ALA CA 4 C4H1b 0.770 1.880 3.226 16.061 13.959 1.151 possible 1615 215 . ALA C 1 C3H0s 0.770 1.610 2.500 9.026 8.858 1.019 [OK] 1616 215 . ALA O 16 O1H0u 0.660 1.420 2.832 20.075 16.026 1.253 [OK] 1617 215 . ALA CB 10 C4H3u 0.770 1.880 3.223 36.790 36.551 1.007 possible 1618 216 . LYS N 12 N3H1s 0.700 1.640 2.453 13.670 13.429 1.018 [OK] 1619 216 . LYS CA 3 C4H1s 0.770 1.880 3.043 14.883 13.217 1.126 possible 1620 216 . LYS C 1 C3H0s 0.770 1.610 2.847 9.702 8.696 1.116 [OK] 1621 216 . LYS O 16 O1H0u 0.660 1.420 2.995 19.377 15.818 1.225 [OK] 1622 216 . LYS CB 8 C4H2s 0.770 1.880 3.113 24.868 22.578 1.101 possible 1623 216 . LYS CG 8 C4H2s 0.770 1.880 2.970 22.754 22.847 0.996 [OK] 1624 216 . LYS CD 8 C4H2s 0.770 1.880 3.056 22.401 23.365 0.959 possible 1625 216 . LYS CE 9 C4H2b 0.770 1.880 2.888 20.534 23.720 0.866 [OK] 1626 216 . LYS NZ 14 N4H3u 0.700 1.640 2.795 18.782 21.413 0.877 [OK] 1627 217 . VAL N 12 N3H1s 0.700 1.640 2.905 15.225 13.553 1.123 [OK] 1628 217 . VAL CA 3 C4H1s 0.770 1.880 3.485 16.336 13.078 1.249 possible 1629 217 . VAL C 1 C3H0s 0.770 1.610 2.635 8.124 8.528 0.953 [OK] 1630 217 . VAL O 16 O1H0u 0.660 1.420 2.499 13.566 15.998 0.848 [OK] 1631 217 . VAL CB 4 C4H1b 0.770 1.880 3.549 15.949 14.514 1.099 possible 1632 217 . VAL CG1 10 C4H3u 0.770 1.880 3.869 40.031 36.320 1.102 possible 1633 217 . VAL CG2 10 C4H3u 0.770 1.880 3.152 42.559 36.173 1.177 possible 1634 218 . GLY N 12 N3H1s 0.700 1.640 4.030 18.530 14.480 1.280 possible 1635 218 . GLY CA 8 C4H2s 0.770 1.880 7.025 60.524 23.470 2.579 possible 1636 218 . GLY C 2 C3H0b 0.770 1.610 3.939 10.980 9.652 1.138 possible 1637 218 . GLY O 16 O1H0u 0.660 1.420 6.821 39.262 16.154 2.430 possible 1638 219 . PHE N 12 N3H1s 0.700 1.640 2.781 14.331 13.524 1.060 [OK] 1639 219 . PHE CA 3 C4H1s 0.770 1.880 2.942 14.720 13.371 1.101 [OK] 1640 219 . PHE C 1 C3H0s 0.770 1.610 2.201 7.725 8.697 0.888 [OK] 1641 219 . PHE O 16 O1H0u 0.660 1.420 2.531 16.071 15.961 1.007 [OK] 1642 219 . PHE CB 8 C4H2s 0.770 1.880 3.177 22.125 23.623 0.937 possible 1643 219 . PHE CG 2 C3H0b 0.770 1.610 2.606 9.891 9.684 1.021 [OK] 1644 219 . PHE CD1 5 C3H1s 0.770 1.760 3.217 26.970 20.325 1.327 possible 1645 219 . PHE CD2 6 C3H1b 0.770 1.760 3.092 21.794 20.948 1.040 possible 1646 219 . PHE CE1 6 C3H1b 0.770 1.760 3.349 22.766 21.532 1.057 possible 1647 219 . PHE CE2 6 C3H1b 0.770 1.760 3.072 24.261 21.625 1.122 possible 1648 219 . PHE CZ 6 C3H1b 0.770 1.760 3.075 24.890 21.555 1.155 possible 1649 220 . GLY N 12 N3H1s 0.700 1.640 2.504 11.785 14.480 0.814 [OK] 1650 220 . GLY CA 8 C4H2s 0.770 1.880 3.281 24.710 23.470 1.053 possible 1651 220 . GLY C 2 C3H0b 0.770 1.610 2.471 8.541 9.652 0.885 [OK] 1652 220 . GLY O 16 O1H0u 0.660 1.420 2.883 17.379 16.154 1.076 [OK] 1653 221 . LEU N 12 N3H1s 0.700 1.640 2.253 10.941 13.517 0.809 [OK] 1654 221 . LEU CA 3 C4H1s 0.770 1.880 2.747 13.897 13.055 1.064 [OK] 1655 221 . LEU C 1 C3H0s 0.770 1.610 2.714 10.383 8.781 1.182 [OK] 1656 221 . LEU O 16 O1H0u 0.660 1.420 7.687 84.174 15.957 5.275 possible 1657 221 . LEU CB 8 C4H2s 0.770 1.880 4.672 24.257 22.818 1.063 possible 1658 221 . LEU CG 4 C4H1b 0.770 1.880 8.650 -1.000 14.704 -1.000 bad 1659 221 . LEU CD1 10 C4H3u 0.770 1.880 24.266 -1.000 37.235 -1.000 bad 1660 221 . LEU CD2 10 C4H3u 0.770 1.880 51.046 -1.000 37.020 -1.000 bad 1661 222 . ILE N 12 N3H1s 0.700 1.640 2.453 11.477 13.493 0.851 [OK] 1662 222 . ILE CA 3 C4H1s 0.770 1.880 4.569 18.678 12.946 1.443 possible 1663 222 . ILE C 1 C3H0s 0.770 1.610 2.744 8.456 8.445 1.001 [OK] 1664 222 . ILE O 16 O1H0u 0.660 1.420 3.947 27.739 15.930 1.741 possible 1665 222 . ILE CB 4 C4H1b 0.770 1.880 2.792 12.147 14.146 0.859 [OK] 1666 222 . ILE CG1 9 C4H2b 0.770 1.880 7.057 45.577 24.071 1.893 possible 1667 222 . ILE CG2 10 C4H3u 0.770 1.880 4.324 51.465 35.763 1.439 possible 1668 222 . ILE CD1 10 C4H3u 0.770 1.880 3.669 37.598 38.219 0.984 possible 1669 223 . LEU N 12 N3H1s 0.700 1.640 2.766 13.905 13.517 1.029 [OK] 1670 223 . LEU CA 3 C4H1s 0.770 1.880 3.849 15.240 13.055 1.167 possible 1671 223 . LEU C 1 C3H0s 0.770 1.610 4.576 12.115 8.781 1.380 possible 1672 223 . LEU O 16 O1H0u 0.660 1.420 4.018 33.110 15.957 2.075 possible 1673 223 . LEU CB 8 C4H2s 0.770 1.880 3.190 25.675 22.818 1.125 possible 1674 223 . LEU CG 4 C4H1b 0.770 1.880 4.540 25.390 14.704 1.727 possible 1675 223 . LEU CD1 10 C4H3u 0.770 1.880 6.941 73.799 37.235 1.982 possible 1676 223 . LEU CD2 10 C4H3u 0.770 1.880 3.288 42.098 37.020 1.137 possible 1677 224 . LEU N 12 N3H1s 0.700 1.640 5.261 23.722 13.517 1.755 possible 1678 224 . LEU CA 3 C4H1s 0.770 1.880 4.322 18.592 13.055 1.424 possible 1679 224 . LEU C 1 C3H0s 0.770 1.610 4.921 11.265 8.781 1.283 possible 1680 224 . LEU O 16 O1H0u 0.660 1.420 15.177 -1.000 15.957 -1.000 bad 1681 224 . LEU CB 8 C4H2s 0.770 1.880 3.419 24.307 22.818 1.065 possible 1682 224 . LEU CG 4 C4H1b 0.770 1.880 6.287 26.557 14.704 1.806 possible 1683 224 . LEU CD1 10 C4H3u 0.770 1.880 5.208 55.061 37.235 1.479 possible 1684 224 . LEU CD2 10 C4H3u 0.770 1.880 30.659 -1.000 37.020 -1.000 bad 1685 225 . ARG N 12 N3H1s 0.700 1.640 3.423 17.918 13.486 1.329 possible 1686 225 . ARG CA 3 C4H1s 0.770 1.880 13.259 -1.000 13.310 -1.000 bad 1687 225 . ARG C 1 C3H0s 0.770 1.610 42.194 -1.000 8.779 -1.000 bad 1688 225 . ARG CB 8 C4H2s 0.770 1.880 5.594 36.227 22.833 1.587 possible 1689 225 . ARG CG 8 C4H2s 0.770 1.880 27.959 -1.000 23.273 -1.000 bad 1690 225 . ARG CD 8 C4H2s 0.770 1.880 7.110 55.274 22.849 2.419 possible 1691 225 . ARG NE 13 N3H1b 0.700 1.640 15.588 -1.000 15.019 -1.000 bad 1692 225 . ARG CZ 2 C3H0b 0.770 1.610 4.004 -1.000 9.678 -1.000 bad 1693 225 . ARG NH1 15 N3H2u 0.700 1.640 26.922 -1.000 22.056 -1.000 bad 1694 225 . ARG NH2 15 N3H2u 0.700 1.640 59.523 -1.000 23.132 -1.000 bad 1696 300 . RET C1 9 C4H2b 0.770 1.880 2.456 6.118 1.880 3.254 [OK] 1697 300 . RET C2 9 C4H2b 0.770 1.880 3.150 25.542 1.880 13.586 possible 1698 300 . RET C3 9 C4H2b 0.770 1.880 3.420 27.210 1.880 14.473 possible 1699 300 . RET C4 9 C4H2b 0.770 1.880 2.810 24.092 1.880 12.815 [OK] 1700 300 . RET C5 9 C4H2b 0.770 1.880 3.004 12.759 1.880 6.787 possible 1701 300 . RET C6 9 C4H2b 0.770 1.880 3.002 11.770 1.880 6.261 possible 1702 300 . RET C7 9 C4H2b 0.770 1.880 2.732 18.017 1.880 9.584 [OK] 1703 300 . RET C8 9 C4H2b 0.770 1.880 2.734 17.723 1.880 9.427 [OK] 1704 300 . RET C9 9 C4H2b 0.770 1.880 3.294 11.996 1.880 6.381 possible 1705 300 . RET C10 9 C4H2b 0.770 1.880 3.193 22.988 1.880 12.228 possible 1706 300 . RET C11 9 C4H2b 0.770 1.880 2.912 21.807 1.880 11.599 [OK] 1707 300 . RET C12 9 C4H2b 0.770 1.880 2.710 19.927 1.880 10.599 [OK] 1708 300 . RET C13 9 C4H2b 0.770 1.880 2.872 12.361 1.880 6.575 [OK] 1709 300 . RET C14 9 C4H2b 0.770 1.880 2.844 20.998 1.880 11.169 [OK] 1710 300 . RET C15 9 C4H2b 0.770 1.880 2.851 18.943 1.880 10.076 [OK] 1711 300 . RET C16 9 C4H2b 0.770 1.880 2.947 28.481 1.880 15.150 [OK] 1712 300 . RET C17 9 C4H2b 0.770 1.880 2.882 34.589 1.880 18.399 [OK] 1713 300 . RET C18 9 C4H2b 0.770 1.880 3.021 32.273 1.880 17.166 possible 1714 300 . RET C19 9 C4H2b 0.770 1.880 3.127 34.125 1.880 18.151 possible 1715 300 . RET C20 9 C4H2b 0.770 1.880 3.145 41.109 1.880 21.866 possible 1716 400 . HOH O 18 O2H2u 0.660 1.460 2.863 35.880 1.460 24.575 [OK] 1717 401 . HOH O 18 O2H2u 0.660 1.460 2.903 33.065 1.460 22.647 [OK] 1718 402 . HOH O 18 O2H2u 0.660 1.460 2.861 31.978 1.460 21.903 [OK] 1719 403 . HOH O 18 O2H2u 0.660 1.460 2.913 40.395 1.460 27.668 [OK] 1720 404 . HOH O 18 O2H2u 0.660 1.460 54.809 -1.000 1.460 -1.000 bad 1721 405 . HOH O 18 O2H2u 0.660 1.460 5.234 46.639 1.460 31.945 possible 1722 406 . HOH O 18 O2H2u 0.660 1.460 4.120 69.660 1.460 47.712 possible 1723 407 . HOH O 18 O2H2u 0.660 1.460 65.546 -1.000 1.460 -1.000 bad 1724 408 . HOH O 18 O2H2u 0.660 1.460 6.761 69.793 1.460 47.804 possible 1725 409 . HOH O 18 O2H2u 0.660 1.460 6.395 97.660 1.460 66.890 possible 1726 410 . HOH O 18 O2H2u 0.660 1.460 68.078 -1.000 1.460 -1.000 bad 1727 411 . HOH O 18 O2H2u 0.660 1.460 2.781 27.577 1.460 18.888 [OK] 1728 412 . HOH O 18 O2H2u 0.660 1.460 59.820 -1.000 1.460 -1.000 bad 1729 413 . HOH O 18 O2H2u 0.660 1.460 59.699 -1.000 1.460 -1.000 bad 1730 414 . HOH O 18 O2H2u 0.660 1.460 22.849 -1.000 1.460 -1.000 bad 1731 415 . HOH O 18 O2H2u 0.660 1.460 98.369 -1.000 1.460 -1.000 bad 1732 416 . HOH O 18 O2H2u 0.660 1.460 95.456 -1.000 1.460 -1.000 bad 1733 417 . HOH O 18 O2H2u 0.660 1.460 83.142 -1.000 1.460 -1.000 bad 1734 418 . HOH O 18 O2H2u 0.660 1.460 65.529 -1.000 1.460 -1.000 bad 1735 419 . HOH O 18 O2H2u 0.660 1.460 72.916 -1.000 1.460 -1.000 bad 1736 420 . HOH O 18 O2H2u 0.660 1.460 76.126 -1.000 1.460 -1.000 bad 1737 421 . HOH O 18 O2H2u 0.660 1.460 48.055 -1.000 1.460 -1.000 bad 1738 422 . HOH O 18 O2H2u 0.660 1.460 62.396 -1.000 1.460 -1.000 bad 1739 423 . HOH O 18 O2H2u 0.660 1.460 58.463 -1.000 1.460 -1.000 bad 1740 424 . HOH O 18 O2H2u 0.660 1.460 82.698 -1.000 1.460 -1.000 bad 1741 425 . HOH O 18 O2H2u 0.660 1.460 46.838 -1.000 1.460 -1.000 bad