number_ resnum chain resname atname typenum typenam covrad vdwrad surface volume refvol packeff goodbad 1 1 A SER N 12 N3H1s 0.700 1.640 5.921 77.805 13.808 5.635 possible 2 1 A SER CA 3 C4H1s 0.770 1.880 14.274 -1.000 13.351 -1.000 bad 3 1 A SER C 1 C3H0s 0.770 1.610 3.191 10.149 8.858 1.146 possible 4 1 A SER O 16 O1H0u 0.660 1.420 3.044 13.689 15.860 0.863 possible 5 1 A SER CB 8 C4H2s 0.770 1.880 22.173 -1.000 23.599 -1.000 bad 6 1 A SER OG 17 O2H1u 0.660 1.460 30.528 -1.000 18.021 -1.000 bad 11 2 A ASN N 12 N3H1s 0.700 1.640 5.154 21.129 13.525 1.562 possible 12 2 A ASN CA 3 C4H1s 0.770 1.880 2.805 12.408 13.052 0.951 [OK] 13 2 A ASN C 1 C3H0s 0.770 1.610 2.625 9.452 8.853 1.068 [OK] 14 2 A ASN O 16 O1H0u 0.660 1.420 26.357 -1.000 15.857 -1.000 bad 15 2 A ASN CB 8 C4H2s 0.770 1.880 3.797 22.082 22.756 0.970 possible 16 2 A ASN CG 2 C3H0b 0.770 1.610 2.668 8.843 9.537 0.927 [OK] 17 2 A ASN OD1 16 O1H0u 0.660 1.420 4.073 28.694 16.247 1.766 possible 18 2 A ASN ND2 15 N3H2u 0.700 1.640 2.784 22.512 22.525 0.999 [OK] 22 3 A PRO N 11 N3H0u 0.700 1.640 3.028 8.801 8.650 1.017 possible 23 3 A PRO CA 4 C4H1b 0.770 1.880 2.522 11.361 13.828 0.822 [OK] 24 3 A PRO C 1 C3H0s 0.770 1.610 3.625 9.761 8.768 1.113 possible 25 3 A PRO O 16 O1H0u 0.660 1.420 4.063 24.032 15.856 1.516 possible 26 3 A PRO CB 9 C4H2b 0.770 1.880 4.049 26.207 25.314 1.035 possible 27 3 A PRO CG 9 C4H2b 0.770 1.880 28.194 -1.000 25.480 -1.000 bad 28 3 A PRO CD 8 C4H2s 0.770 1.880 27.468 -1.000 23.390 -1.000 bad 29 4 A LYS N 12 N3H1s 0.700 1.640 4.314 19.873 13.429 1.480 possible 30 4 A LYS CA 3 C4H1s 0.770 1.880 9.255 -1.000 13.217 -1.000 bad 31 4 A LYS C 1 C3H0s 0.770 1.610 2.351 7.732 8.696 0.889 [OK] 32 4 A LYS O 16 O1H0u 0.660 1.420 2.996 22.320 15.818 1.411 [OK] 33 4 A LYS CB 8 C4H2s 0.770 1.880 14.842 -1.000 22.578 -1.000 bad 34 4 A LYS CG 8 C4H2s 0.770 1.880 16.742 -1.000 22.847 -1.000 bad 35 4 A LYS CD 8 C4H2s 0.770 1.880 34.915 -1.000 23.365 -1.000 bad 36 4 A LYS CE 9 C4H2b 0.770 1.880 4.353 21.342 23.720 0.900 possible 37 4 A LYS NZ 14 N4H3u 0.700 1.640 42.332 -1.000 21.413 -1.000 bad 42 5 A ASP N 12 N3H1s 0.700 1.640 2.639 12.437 13.654 0.911 [OK] 43 5 A ASP CA 3 C4H1s 0.770 1.880 2.678 13.544 13.254 1.022 [OK] 44 5 A ASP C 1 C3H0s 0.770 1.610 2.588 10.292 8.750 1.176 [OK] 45 5 A ASP O 16 O1H0u 0.660 1.420 3.036 21.820 15.757 1.385 possible 46 5 A ASP CB 8 C4H2s 0.770 1.880 4.179 31.393 23.022 1.364 possible 47 5 A ASP CG 2 C3H0b 0.770 1.610 2.775 9.276 9.336 0.994 [OK] 48 5 A ASP OD1 16 O1H0u 0.660 1.420 5.117 31.941 15.078 2.118 possible 49 5 A ASP OD2 16 O1H0u 0.660 1.420 15.094 -1.000 15.582 -1.000 bad 51 6 A ASP N 12 N3H1s 0.700 1.640 2.838 14.176 13.654 1.038 [OK] 52 6 A ASP CA 3 C4H1s 0.770 1.880 2.661 13.122 13.254 0.990 [OK] 53 6 A ASP C 1 C3H0s 0.770 1.610 2.085 8.140 8.750 0.930 [OK] 54 6 A ASP O 16 O1H0u 0.660 1.420 2.607 17.402 15.757 1.104 [OK] 55 6 A ASP CB 8 C4H2s 0.770 1.880 3.149 21.425 23.022 0.931 possible 56 6 A ASP CG 2 C3H0b 0.770 1.610 2.260 8.523 9.336 0.913 [OK] 57 6 A ASP OD1 16 O1H0u 0.660 1.420 2.374 13.790 15.078 0.915 [OK] 58 6 A ASP OD2 16 O1H0u 0.660 1.420 2.141 12.205 15.582 0.783 [OK] 60 7 A TYR N 12 N3H1s 0.700 1.640 3.002 16.054 13.473 1.192 possible 61 7 A TYR CA 3 C4H1s 0.770 1.880 2.659 12.912 13.249 0.975 [OK] 62 7 A TYR C 1 C3H0s 0.770 1.610 2.362 7.620 8.714 0.874 [OK] 63 7 A TYR O 16 O1H0u 0.660 1.420 2.346 15.958 15.901 1.004 [OK] 64 7 A TYR CB 8 C4H2s 0.770 1.880 2.742 23.324 23.426 0.996 [OK] 65 7 A TYR CG 2 C3H0b 0.770 1.610 2.386 8.813 9.695 0.909 [OK] 66 7 A TYR CD1 5 C3H1s 0.770 1.760 2.763 18.211 20.057 0.908 [OK] 67 7 A TYR CD2 5 C3H1s 0.770 1.760 2.619 16.875 20.578 0.820 [OK] 68 7 A TYR CE1 5 C3H1s 0.770 1.760 3.654 24.920 20.534 1.214 possible 69 7 A TYR CE2 5 C3H1s 0.770 1.760 2.722 19.990 20.577 0.971 [OK] 70 7 A TYR CZ 2 C3H0b 0.770 1.610 2.569 9.690 9.888 0.980 [OK] 71 7 A TYR OH 17 O2H1u 0.660 1.460 6.063 35.373 18.541 1.908 possible 74 8 A LYS N 12 N3H1s 0.700 1.640 2.494 12.767 13.429 0.951 [OK] 75 8 A LYS CA 3 C4H1s 0.770 1.880 2.734 13.009 13.217 0.984 [OK] 76 8 A LYS C 1 C3H0s 0.770 1.610 2.411 8.277 8.696 0.952 [OK] 77 8 A LYS O 16 O1H0u 0.660 1.420 2.486 15.779 15.818 0.998 [OK] 78 8 A LYS CB 8 C4H2s 0.770 1.880 3.282 23.932 22.578 1.060 possible 79 8 A LYS CG 8 C4H2s 0.770 1.880 2.925 22.041 22.847 0.965 [OK] 80 8 A LYS CD 8 C4H2s 0.770 1.880 4.385 46.214 23.365 1.978 possible 81 8 A LYS CE 9 C4H2b 0.770 1.880 32.494 -1.000 23.720 -1.000 bad 82 8 A LYS NZ 14 N4H3u 0.700 1.640 12.678 -1.000 21.413 -1.000 bad 87 9 A ILE N 12 N3H1s 0.700 1.640 2.896 13.979 13.493 1.036 [OK] 88 9 A ILE CA 3 C4H1s 0.770 1.880 2.674 12.543 12.946 0.969 [OK] 89 9 A ILE C 1 C3H0s 0.770 1.610 2.501 8.046 8.445 0.953 [OK] 90 9 A ILE O 16 O1H0u 0.660 1.420 2.344 14.435 15.930 0.906 [OK] 91 9 A ILE CB 4 C4H1b 0.770 1.880 2.779 14.811 14.146 1.047 [OK] 92 9 A ILE CG1 9 C4H2b 0.770 1.880 3.145 25.605 24.071 1.064 possible 93 9 A ILE CG2 10 C4H3u 0.770 1.880 3.052 34.418 35.763 0.962 possible 94 9 A ILE CD1 10 C4H3u 0.770 1.880 2.988 37.577 38.219 0.983 [OK] 96 10 A TRP N 12 N3H1s 0.700 1.640 2.410 11.760 13.639 0.862 [OK] 97 10 A TRP CA 3 C4H1s 0.770 1.880 2.562 12.195 13.323 0.915 [OK] 98 10 A TRP C 1 C3H0s 0.770 1.610 2.377 9.505 8.687 1.094 [OK] 99 10 A TRP O 16 O1H0u 0.660 1.420 2.372 16.115 15.797 1.020 [OK] 100 10 A TRP CB 8 C4H2s 0.770 1.880 2.947 25.326 23.826 1.063 [OK] 101 10 A TRP CG 2 C3H0b 0.770 1.610 2.614 9.651 9.915 0.973 [OK] 102 10 A TRP CD1 5 C3H1s 0.770 1.760 2.640 19.351 20.597 0.940 [OK] 103 10 A TRP CD2 2 C3H0b 0.770 1.610 2.498 9.739 10.068 0.967 [OK] 104 10 A TRP NE1 13 N3H1b 0.700 1.640 2.627 15.823 16.723 0.946 [OK] 105 10 A TRP CE2 2 C3H0b 0.770 1.610 2.602 9.442 9.848 0.959 [OK] 106 10 A TRP CE3 6 C3H1b 0.770 1.760 2.645 18.858 20.383 0.925 [OK] 107 10 A TRP CZ2 6 C3H1b 0.770 1.760 3.010 21.631 20.931 1.033 possible 108 10 A TRP CZ3 6 C3H1b 0.770 1.760 3.183 27.262 21.429 1.272 possible 109 10 A TRP CH2 6 C3H1b 0.770 1.760 3.286 30.616 21.219 1.443 possible 112 11 A LEU N 12 N3H1s 0.700 1.640 2.564 12.081 13.517 0.894 [OK] 113 11 A LEU CA 3 C4H1s 0.770 1.880 2.667 12.434 13.055 0.952 [OK] 114 11 A LEU C 1 C3H0s 0.770 1.610 2.346 8.585 8.781 0.978 [OK] 115 11 A LEU O 16 O1H0u 0.660 1.420 2.388 14.544 15.957 0.911 [OK] 116 11 A LEU CB 8 C4H2s 0.770 1.880 3.308 21.776 22.818 0.954 possible 117 11 A LEU CG 4 C4H1b 0.770 1.880 2.801 14.203 14.704 0.966 [OK] 118 11 A LEU CD1 10 C4H3u 0.770 1.880 5.221 62.850 37.235 1.688 possible 119 11 A LEU CD2 10 C4H3u 0.770 1.880 4.218 39.935 37.020 1.079 possible 121 12 A VAL N 12 N3H1s 0.700 1.640 2.434 12.215 13.553 0.901 [OK] 122 12 A VAL CA 3 C4H1s 0.770 1.880 2.744 12.610 13.078 0.964 [OK] 123 12 A VAL C 1 C3H0s 0.770 1.610 2.149 8.027 8.528 0.941 [OK] 124 12 A VAL O 16 O1H0u 0.660 1.420 2.528 16.019 15.998 1.001 [OK] 125 12 A VAL CB 4 C4H1b 0.770 1.880 2.929 14.555 14.514 1.003 [OK] 126 12 A VAL CG1 10 C4H3u 0.770 1.880 3.143 38.555 36.320 1.062 possible 127 12 A VAL CG2 10 C4H3u 0.770 1.880 3.019 35.218 36.173 0.974 possible 129 13 A ILE N 12 N3H1s 0.700 1.640 2.541 12.809 13.493 0.949 [OK] 130 13 A ILE CA 3 C4H1s 0.770 1.880 2.613 12.209 12.946 0.943 [OK] 131 13 A ILE C 1 C3H0s 0.770 1.610 2.695 8.661 8.445 1.026 [OK] 132 13 A ILE O 16 O1H0u 0.660 1.420 2.602 15.333 15.930 0.963 [OK] 133 13 A ILE CB 4 C4H1b 0.770 1.880 2.922 14.932 14.146 1.056 [OK] 134 13 A ILE CG1 9 C4H2b 0.770 1.880 3.136 23.468 24.071 0.975 possible 135 13 A ILE CG2 10 C4H3u 0.770 1.880 3.154 36.764 35.763 1.028 possible 136 13 A ILE CD1 10 C4H3u 0.770 1.880 3.413 46.349 38.219 1.213 possible 138 14 A ASN N 12 N3H1s 0.700 1.640 2.668 13.903 13.525 1.028 [OK] 139 14 A ASN CA 3 C4H1s 0.770 1.880 2.747 11.773 13.052 0.902 [OK] 140 14 A ASN C 1 C3H0s 0.770 1.610 2.850 8.928 8.853 1.008 [OK] 141 14 A ASN O 16 O1H0u 0.660 1.420 2.503 15.338 15.857 0.967 [OK] 142 14 A ASN CB 8 C4H2s 0.770 1.880 4.878 32.039 22.756 1.408 possible 143 14 A ASN CG 2 C3H0b 0.770 1.610 2.742 10.388 9.537 1.089 [OK] 144 14 A ASN OD1 16 O1H0u 0.660 1.420 26.038 -1.000 16.247 -1.000 bad 145 14 A ASN ND2 15 N3H2u 0.700 1.640 3.794 22.648 22.525 1.005 possible 149 15 A PRO N 11 N3H0u 0.700 1.640 2.850 8.431 8.650 0.975 [OK] 150 15 A PRO CA 4 C4H1b 0.770 1.880 3.036 16.551 13.828 1.197 possible 151 15 A PRO C 1 C3H0s 0.770 1.610 4.207 9.424 8.768 1.075 possible 152 15 A PRO O 16 O1H0u 0.660 1.420 5.007 26.023 15.856 1.641 possible 153 15 A PRO CB 9 C4H2b 0.770 1.880 5.128 35.795 25.314 1.414 possible 154 15 A PRO CG 9 C4H2b 0.770 1.880 4.753 36.242 25.480 1.422 possible 155 15 A PRO CD 8 C4H2s 0.770 1.880 2.782 21.973 23.390 0.939 [OK] 156 16 A SER N 12 N3H1s 0.700 1.640 3.808 13.234 13.808 0.958 possible 157 16 A SER CA 3 C4H1s 0.770 1.880 10.926 -1.000 13.351 -1.000 bad 158 16 A SER C 1 C3H0s 0.770 1.610 3.190 9.340 8.858 1.054 possible 159 16 A SER O 16 O1H0u 0.660 1.420 22.633 -1.000 15.860 -1.000 bad 160 16 A SER CB 8 C4H2s 0.770 1.880 30.398 -1.000 23.599 -1.000 bad 161 16 A SER OG 17 O2H1u 0.660 1.460 31.251 -1.000 18.021 -1.000 bad 164 17 A THR N 12 N3H1s 0.700 1.640 2.604 13.415 13.544 0.990 [OK] 165 17 A THR CA 3 C4H1s 0.770 1.880 5.518 20.395 13.025 1.566 possible 166 17 A THR C 1 C3H0s 0.770 1.610 2.434 8.307 8.685 0.956 [OK] 167 17 A THR O 16 O1H0u 0.660 1.420 5.666 33.570 15.795 2.125 possible 168 17 A THR CB 4 C4H1b 0.770 1.880 3.159 14.120 14.687 0.961 possible 169 17 A THR OG1 17 O2H1u 0.660 1.460 21.547 -1.000 17.610 -1.000 bad 170 17 A THR CG2 10 C4H3u 0.770 1.880 5.045 42.433 36.265 1.170 possible 173 18 A TRP N 12 N3H1s 0.700 1.640 2.362 12.950 13.639 0.950 [OK] 174 18 A TRP CA 3 C4H1s 0.770 1.880 2.612 12.608 13.323 0.946 [OK] 175 18 A TRP C 1 C3H0s 0.770 1.610 3.064 9.765 8.687 1.124 possible 176 18 A TRP O 16 O1H0u 0.660 1.420 2.635 14.769 15.797 0.935 [OK] 177 18 A TRP CB 8 C4H2s 0.770 1.880 3.318 32.310 23.826 1.356 possible 178 18 A TRP CG 2 C3H0b 0.770 1.610 2.416 9.283 9.915 0.936 [OK] 179 18 A TRP CD1 5 C3H1s 0.770 1.760 2.845 20.533 20.597 0.997 [OK] 180 18 A TRP CD2 2 C3H0b 0.770 1.610 2.562 9.412 10.068 0.935 [OK] 181 18 A TRP NE1 13 N3H1b 0.700 1.640 2.860 19.048 16.723 1.139 [OK] 182 18 A TRP CE2 2 C3H0b 0.770 1.610 2.504 9.351 9.848 0.950 [OK] 183 18 A TRP CE3 6 C3H1b 0.770 1.760 3.438 22.523 20.383 1.105 possible 184 18 A TRP CZ2 6 C3H1b 0.770 1.760 2.715 20.205 20.931 0.965 [OK] 185 18 A TRP CZ3 6 C3H1b 0.770 1.760 2.821 23.153 21.429 1.080 [OK] 186 18 A TRP CH2 6 C3H1b 0.770 1.760 2.957 22.953 21.219 1.082 [OK] 189 19 A LEU N 12 N3H1s 0.700 1.640 3.083 15.382 13.517 1.138 possible 190 19 A LEU CA 3 C4H1s 0.770 1.880 3.308 13.705 13.055 1.050 possible 191 19 A LEU C 1 C3H0s 0.770 1.610 2.655 8.443 8.781 0.962 [OK] 192 19 A LEU O 16 O1H0u 0.660 1.420 2.359 15.325 15.957 0.960 [OK] 193 19 A LEU CB 8 C4H2s 0.770 1.880 4.054 24.072 22.818 1.055 possible 194 19 A LEU CG 4 C4H1b 0.770 1.880 3.283 14.996 14.704 1.020 possible 195 19 A LEU CD1 10 C4H3u 0.770 1.880 3.215 39.267 37.235 1.055 possible 196 19 A LEU CD2 10 C4H3u 0.770 1.880 6.721 74.189 37.020 2.004 possible 198 20 A PRO N 11 N3H0u 0.700 1.640 2.978 8.894 8.650 1.028 [OK] 199 20 A PRO CA 4 C4H1b 0.770 1.880 3.437 15.174 13.828 1.097 possible 200 20 A PRO C 1 C3H0s 0.770 1.610 2.888 9.061 8.768 1.033 [OK] 201 20 A PRO O 16 O1H0u 0.660 1.420 3.762 18.041 15.856 1.138 possible 202 20 A PRO CB 9 C4H2b 0.770 1.880 26.675 -1.000 25.314 -1.000 bad 203 20 A PRO CG 9 C4H2b 0.770 1.880 32.036 -1.000 25.480 -1.000 bad 204 20 A PRO CD 8 C4H2s 0.770 1.880 3.720 26.117 23.390 1.117 possible 205 21 A VAL N 12 N3H1s 0.700 1.640 3.082 14.827 13.553 1.094 possible 206 21 A VAL CA 3 C4H1s 0.770 1.880 3.176 13.986 13.078 1.069 possible 207 21 A VAL C 1 C3H0s 0.770 1.610 2.667 7.893 8.528 0.925 [OK] 208 21 A VAL O 16 O1H0u 0.660 1.420 2.820 15.286 15.998 0.955 [OK] 209 21 A VAL CB 4 C4H1b 0.770 1.880 3.014 13.833 14.514 0.953 possible 210 21 A VAL CG1 10 C4H3u 0.770 1.880 4.649 50.053 36.320 1.378 possible 211 21 A VAL CG2 10 C4H3u 0.770 1.880 5.739 69.921 36.173 1.933 possible 213 22 A ILE N 12 N3H1s 0.700 1.640 2.969 13.383 13.493 0.992 [OK] 214 22 A ILE CA 3 C4H1s 0.770 1.880 3.476 16.671 12.946 1.288 possible 215 22 A ILE C 1 C3H0s 0.770 1.610 2.182 7.795 8.445 0.923 [OK] 216 22 A ILE O 16 O1H0u 0.660 1.420 2.834 19.424 15.930 1.219 [OK] 217 22 A ILE CB 4 C4H1b 0.770 1.880 3.004 14.735 14.146 1.042 possible 218 22 A ILE CG1 9 C4H2b 0.770 1.880 3.281 24.666 24.071 1.025 possible 219 22 A ILE CG2 10 C4H3u 0.770 1.880 3.621 55.343 35.763 1.547 possible 220 22 A ILE CD1 10 C4H3u 0.770 1.880 2.994 35.040 38.219 0.917 [OK] 222 23 A TRP N 12 N3H1s 0.700 1.640 2.214 12.315 13.639 0.903 [OK] 223 23 A TRP CA 3 C4H1s 0.770 1.880 2.967 13.863 13.323 1.041 [OK] 224 23 A TRP C 1 C3H0s 0.770 1.610 3.662 8.955 8.687 1.031 possible 225 23 A TRP O 16 O1H0u 0.660 1.420 3.378 16.737 15.797 1.059 possible 226 23 A TRP CB 8 C4H2s 0.770 1.880 5.783 38.360 23.826 1.610 possible 227 23 A TRP CG 2 C3H0b 0.770 1.610 2.871 10.069 9.915 1.016 [OK] 228 23 A TRP CD1 5 C3H1s 0.770 1.760 2.861 20.219 20.597 0.982 [OK] 229 23 A TRP CD2 2 C3H0b 0.770 1.610 2.946 11.217 10.068 1.114 [OK] 230 23 A TRP NE1 13 N3H1b 0.700 1.640 2.655 16.715 16.723 1.000 [OK] 231 23 A TRP CE2 2 C3H0b 0.770 1.610 2.614 10.468 9.848 1.063 [OK] 232 23 A TRP CE3 6 C3H1b 0.770 1.760 14.144 -1.000 20.383 -1.000 bad 233 23 A TRP CZ2 6 C3H1b 0.770 1.760 3.356 21.234 20.931 1.014 possible 234 23 A TRP CZ3 6 C3H1b 0.770 1.760 26.977 -1.000 21.429 -1.000 bad 235 23 A TRP CH2 6 C3H1b 0.770 1.760 20.960 -1.000 21.219 -1.000 bad 238 24 A ILE N 12 N3H1s 0.700 1.640 3.688 13.457 13.493 0.997 possible 239 24 A ILE CA 3 C4H1s 0.770 1.880 3.802 16.995 12.946 1.313 possible 240 24 A ILE C 1 C3H0s 0.770 1.610 2.651 7.783 8.445 0.922 [OK] 241 24 A ILE O 16 O1H0u 0.660 1.420 3.195 16.032 15.930 1.006 possible 242 24 A ILE CB 4 C4H1b 0.770 1.880 3.352 14.800 14.146 1.046 possible 243 24 A ILE CG1 9 C4H2b 0.770 1.880 20.068 -1.000 24.071 -1.000 bad 244 24 A ILE CG2 10 C4H3u 0.770 1.880 36.080 -1.000 35.763 -1.000 bad 245 24 A ILE CD1 10 C4H3u 0.770 1.880 49.884 -1.000 38.219 -1.000 bad 247 25 A VAL N 12 N3H1s 0.700 1.640 2.889 13.906 13.553 1.026 [OK] 248 25 A VAL CA 3 C4H1s 0.770 1.880 3.727 16.842 13.078 1.288 possible 249 25 A VAL C 1 C3H0s 0.770 1.610 2.596 7.686 8.528 0.901 [OK] 250 25 A VAL O 16 O1H0u 0.660 1.420 3.114 16.821 15.998 1.051 possible 251 25 A VAL CB 4 C4H1b 0.770 1.880 3.120 15.735 14.514 1.084 possible 252 25 A VAL CG1 10 C4H3u 0.770 1.880 4.016 50.213 36.320 1.383 possible 253 25 A VAL CG2 10 C4H3u 0.770 1.880 5.264 58.110 36.173 1.606 possible 255 26 A ALA N 12 N3H1s 0.700 1.640 3.073 15.333 13.872 1.105 possible 256 26 A ALA CA 4 C4H1b 0.770 1.880 3.162 16.854 13.959 1.207 possible 257 26 A ALA C 1 C3H0s 0.770 1.610 2.101 8.246 8.858 0.931 [OK] 258 26 A ALA O 16 O1H0u 0.660 1.420 2.355 15.075 16.026 0.941 [OK] 259 26 A ALA CB 10 C4H3u 0.770 1.880 3.096 33.997 36.551 0.930 possible 261 27 A THR N 12 N3H1s 0.700 1.640 2.339 12.291 13.544 0.907 [OK] 262 27 A THR CA 3 C4H1s 0.770 1.880 2.674 12.729 13.025 0.977 [OK] 263 27 A THR C 1 C3H0s 0.770 1.610 2.603 8.284 8.685 0.954 [OK] 264 27 A THR O 16 O1H0u 0.660 1.420 3.102 15.286 15.795 0.968 possible 265 27 A THR CB 4 C4H1b 0.770 1.880 3.871 17.526 14.687 1.193 possible 266 27 A THR OG1 17 O2H1u 0.660 1.460 10.800 -1.000 17.610 -1.000 bad 267 27 A THR CG2 10 C4H3u 0.770 1.880 38.487 -1.000 36.265 -1.000 bad 270 28 A VAL N 12 N3H1s 0.700 1.640 2.895 13.373 13.553 0.987 [OK] 271 28 A VAL CA 3 C4H1s 0.770 1.880 3.213 14.315 13.078 1.095 possible 272 28 A VAL C 1 C3H0s 0.770 1.610 2.474 7.620 8.528 0.894 [OK] 273 28 A VAL O 16 O1H0u 0.660 1.420 2.873 16.264 15.998 1.017 [OK] 274 28 A VAL CB 4 C4H1b 0.770 1.880 3.965 16.875 14.514 1.163 possible 275 28 A VAL CG1 10 C4H3u 0.770 1.880 5.599 67.572 36.320 1.860 possible 276 28 A VAL CG2 10 C4H3u 0.770 1.880 34.752 -1.000 36.173 -1.000 bad 278 29 A VAL N 12 N3H1s 0.700 1.640 2.834 13.737 13.553 1.014 [OK] 279 29 A VAL CA 3 C4H1s 0.770 1.880 3.275 14.801 13.078 1.132 possible 280 29 A VAL C 1 C3H0s 0.770 1.610 2.262 7.580 8.528 0.889 [OK] 281 29 A VAL O 16 O1H0u 0.660 1.420 2.789 14.941 15.998 0.934 [OK] 282 29 A VAL CB 4 C4H1b 0.770 1.880 2.866 14.644 14.514 1.009 [OK] 283 29 A VAL CG1 10 C4H3u 0.770 1.880 3.280 35.664 36.320 0.982 possible 284 29 A VAL CG2 10 C4H3u 0.770 1.880 3.545 38.594 36.173 1.067 possible 286 30 A ALA N 12 N3H1s 0.700 1.640 2.215 12.830 13.872 0.925 [OK] 287 30 A ALA CA 4 C4H1b 0.770 1.880 2.710 13.983 13.959 1.002 [OK] 288 30 A ALA C 1 C3H0s 0.770 1.610 3.742 8.975 8.858 1.013 possible 289 30 A ALA O 16 O1H0u 0.660 1.420 3.459 16.979 16.026 1.059 possible 290 30 A ALA CB 10 C4H3u 0.770 1.880 4.399 40.989 36.551 1.121 possible 292 31 A ILE N 12 N3H1s 0.700 1.640 3.565 13.172 13.493 0.976 possible 293 31 A ILE CA 3 C4H1s 0.770 1.880 4.173 18.894 12.946 1.459 possible 294 31 A ILE C 1 C3H0s 0.770 1.610 2.538 7.597 8.445 0.900 [OK] 295 31 A ILE O 16 O1H0u 0.660 1.420 3.532 19.331 15.930 1.213 possible 296 31 A ILE CB 4 C4H1b 0.770 1.880 3.477 14.572 14.146 1.030 possible 297 31 A ILE CG1 9 C4H2b 0.770 1.880 17.236 -1.000 24.071 -1.000 bad 298 31 A ILE CG2 10 C4H3u 0.770 1.880 6.130 74.688 35.763 2.088 possible 299 31 A ILE CD1 10 C4H3u 0.770 1.880 45.406 -1.000 38.219 -1.000 bad 301 32 A ALA N 12 N3H1s 0.700 1.640 2.594 12.814 13.872 0.924 [OK] 302 32 A ALA CA 4 C4H1b 0.770 1.880 2.801 14.690 13.959 1.052 [OK] 303 32 A ALA C 1 C3H0s 0.770 1.610 2.284 8.350 8.858 0.943 [OK] 304 32 A ALA O 16 O1H0u 0.660 1.420 2.284 15.146 16.026 0.945 [OK] 305 32 A ALA CB 10 C4H3u 0.770 1.880 3.279 39.141 36.551 1.071 possible 307 33 A VAL N 12 N3H1s 0.700 1.640 2.624 13.057 13.553 0.963 [OK] 308 33 A VAL CA 3 C4H1s 0.770 1.880 2.869 13.341 13.078 1.020 [OK] 309 33 A VAL C 1 C3H0s 0.770 1.610 2.233 7.799 8.528 0.915 [OK] 310 33 A VAL O 16 O1H0u 0.660 1.420 2.798 15.139 15.998 0.946 [OK] 311 33 A VAL CB 4 C4H1b 0.770 1.880 2.874 15.886 14.514 1.095 [OK] 312 33 A VAL CG1 10 C4H3u 0.770 1.880 3.265 33.778 36.320 0.930 possible 313 33 A VAL CG2 10 C4H3u 0.770 1.880 3.274 38.118 36.173 1.054 possible 315 34 A HIS N 12 N3H1s 0.700 1.640 2.539 13.629 13.532 1.007 [OK] 316 34 A HIS CA 3 C4H1s 0.770 1.880 3.252 15.991 13.335 1.199 possible 317 34 A HIS C 1 C3H0s 0.770 1.610 3.009 8.935 8.760 1.020 possible 318 34 A HIS O 16 O1H0u 0.660 1.420 2.526 17.234 15.855 1.087 [OK] 319 34 A HIS CB 8 C4H2s 0.770 1.880 5.610 49.173 23.443 2.098 possible 320 34 A HIS CG 2 C3H0b 0.770 1.610 4.493 14.901 9.870 1.510 possible 321 34 A HIS ND1 13 N3H1b 0.700 1.640 4.218 19.698 15.483 1.272 possible 322 34 A HIS CD2 5 C3H1s 0.770 1.760 4.357 30.043 20.938 1.435 possible 323 34 A HIS CE1 5 C3H1s 0.770 1.760 4.286 22.030 20.491 1.075 possible 324 34 A HIS NE2 13 N3H1b 0.700 1.640 3.626 12.241 15.758 0.777 possible 328 35 A ALA N 12 N3H1s 0.700 1.640 3.567 15.730 13.872 1.134 possible 329 35 A ALA CA 4 C4H1b 0.770 1.880 3.468 17.390 13.959 1.246 possible 330 35 A ALA C 1 C3H0s 0.770 1.610 2.524 8.369 8.858 0.945 [OK] 331 35 A ALA O 16 O1H0u 0.660 1.420 2.317 16.493 16.026 1.029 [OK] 332 35 A ALA CB 10 C4H3u 0.770 1.880 3.484 43.037 36.551 1.177 possible 334 36 A ALA N 12 N3H1s 0.700 1.640 2.355 12.795 13.872 0.922 [OK] 335 36 A ALA CA 4 C4H1b 0.770 1.880 2.789 13.970 13.959 1.001 [OK] 336 36 A ALA C 1 C3H0s 0.770 1.610 2.306 8.513 8.858 0.961 [OK] 337 36 A ALA O 16 O1H0u 0.660 1.420 2.337 16.203 16.026 1.011 [OK] 338 36 A ALA CB 10 C4H3u 0.770 1.880 3.265 35.795 36.551 0.979 possible 340 37 A VAL N 12 N3H1s 0.700 1.640 2.608 13.221 13.553 0.975 [OK] 341 37 A VAL CA 3 C4H1s 0.770 1.880 2.687 13.406 13.078 1.025 [OK] 342 37 A VAL C 1 C3H0s 0.770 1.610 2.505 7.635 8.528 0.895 [OK] 343 37 A VAL O 16 O1H0u 0.660 1.420 2.434 16.748 15.998 1.047 [OK] 344 37 A VAL CB 4 C4H1b 0.770 1.880 2.954 15.858 14.514 1.093 [OK] 345 37 A VAL CG1 10 C4H3u 0.770 1.880 3.216 38.961 36.320 1.073 possible 346 37 A VAL CG2 10 C4H3u 0.770 1.880 3.222 34.800 36.173 0.962 possible 348 38 A LEU N 12 N3H1s 0.700 1.640 2.525 13.127 13.517 0.971 [OK] 349 38 A LEU CA 3 C4H1s 0.770 1.880 2.914 13.532 13.055 1.037 [OK] 350 38 A LEU C 1 C3H0s 0.770 1.610 2.507 8.792 8.781 1.001 [OK] 351 38 A LEU O 16 O1H0u 0.660 1.420 2.738 20.773 15.957 1.302 [OK] 352 38 A LEU CB 8 C4H2s 0.770 1.880 2.916 22.252 22.818 0.975 [OK] 353 38 A LEU CG 4 C4H1b 0.770 1.880 2.743 12.908 14.704 0.878 [OK] 354 38 A LEU CD1 10 C4H3u 0.770 1.880 5.235 76.745 37.235 2.061 possible 355 38 A LEU CD2 10 C4H3u 0.770 1.880 3.501 30.938 37.020 0.836 possible 357 39 A ALA N 12 N3H1s 0.700 1.640 2.538 12.879 13.872 0.928 [OK] 358 39 A ALA CA 4 C4H1b 0.770 1.880 3.538 16.362 13.959 1.172 possible 359 39 A ALA C 1 C3H0s 0.770 1.610 2.457 9.413 8.858 1.063 [OK] 360 39 A ALA O 16 O1H0u 0.660 1.420 6.945 53.301 16.026 3.326 possible 361 39 A ALA CB 10 C4H3u 0.770 1.880 4.617 42.147 36.551 1.153 possible 363 40 A ALA N 12 N3H1s 0.700 1.640 2.372 13.803 13.872 0.995 [OK] 364 40 A ALA CA 4 C4H1b 0.770 1.880 3.077 13.009 13.959 0.932 possible 365 40 A ALA C 1 C3H0s 0.770 1.610 2.827 9.006 8.858 1.017 [OK] 366 40 A ALA O 16 O1H0u 0.660 1.420 2.699 16.295 16.026 1.017 [OK] 367 40 A ALA CB 10 C4H3u 0.770 1.880 3.200 36.043 36.551 0.986 possible 369 41 A PRO N 11 N3H0u 0.700 1.640 2.836 9.534 8.650 1.102 [OK] 370 41 A PRO CA 4 C4H1b 0.770 1.880 7.881 31.965 13.828 2.312 possible 371 41 A PRO C 1 C3H0s 0.770 1.610 4.687 11.593 8.768 1.322 possible 372 41 A PRO O 16 O1H0u 0.660 1.420 7.799 59.061 15.856 3.725 possible 373 41 A PRO CB 9 C4H2b 0.770 1.880 7.306 40.247 25.314 1.590 possible 374 41 A PRO CG 9 C4H2b 0.770 1.880 25.248 -1.000 25.480 -1.000 bad 375 41 A PRO CD 8 C4H2s 0.770 1.880 4.189 29.873 23.390 1.277 possible 376 42 A GLY N 12 N3H1s 0.700 1.640 3.033 16.276 14.480 1.124 possible 377 42 A GLY CA 8 C4H2s 0.770 1.880 4.772 36.213 23.470 1.543 possible 378 42 A GLY C 2 C3H0b 0.770 1.610 2.870 10.252 9.652 1.062 [OK] 379 42 A GLY O 16 O1H0u 0.660 1.420 3.208 21.912 16.154 1.356 possible 381 43 A PHE N 12 N3H1s 0.700 1.640 2.901 13.431 13.524 0.993 [OK] 382 43 A PHE CA 3 C4H1s 0.770 1.880 3.109 12.655 13.371 0.946 possible 383 43 A PHE C 1 C3H0s 0.770 1.610 2.860 10.049 8.697 1.156 [OK] 384 43 A PHE O 16 O1H0u 0.660 1.420 2.649 19.125 15.961 1.198 [OK] 385 43 A PHE CB 8 C4H2s 0.770 1.880 3.131 22.972 23.623 0.972 possible 386 43 A PHE CG 2 C3H0b 0.770 1.610 2.657 10.433 9.684 1.077 [OK] 387 43 A PHE CD1 5 C3H1s 0.770 1.760 2.951 22.812 20.325 1.122 [OK] 388 43 A PHE CD2 6 C3H1b 0.770 1.760 2.980 18.530 20.948 0.885 [OK] 389 43 A PHE CE1 6 C3H1b 0.770 1.760 2.852 21.290 21.532 0.989 [OK] 390 43 A PHE CE2 6 C3H1b 0.770 1.760 2.913 24.478 21.625 1.132 [OK] 391 43 A PHE CZ 6 C3H1b 0.770 1.760 2.696 19.047 21.555 0.884 [OK] 393 44 A ASN N 12 N3H1s 0.700 1.640 3.090 18.428 13.525 1.363 possible 394 44 A ASN CA 3 C4H1s 0.770 1.880 2.746 13.287 13.052 1.018 [OK] 395 44 A ASN C 1 C3H0s 0.770 1.610 2.449 8.140 8.853 0.919 [OK] 396 44 A ASN O 16 O1H0u 0.660 1.420 3.027 15.576 15.857 0.982 possible 397 44 A ASN CB 8 C4H2s 0.770 1.880 3.891 30.729 22.756 1.350 possible 398 44 A ASN CG 2 C3H0b 0.770 1.610 2.612 8.770 9.537 0.920 [OK] 399 44 A ASN OD1 16 O1H0u 0.660 1.420 6.058 42.998 16.247 2.647 possible 400 44 A ASN ND2 15 N3H2u 0.700 1.640 3.662 19.297 22.525 0.857 possible 404 45 A TRP N 12 N3H1s 0.700 1.640 2.812 14.541 13.639 1.066 [OK] 405 45 A TRP CA 3 C4H1s 0.770 1.880 3.370 15.965 13.323 1.198 possible 406 45 A TRP C 1 C3H0s 0.770 1.610 2.231 8.191 8.687 0.943 [OK] 407 45 A TRP O 16 O1H0u 0.660 1.420 5.571 39.173 15.797 2.480 possible 408 45 A TRP CB 8 C4H2s 0.770 1.880 4.483 37.787 23.826 1.586 possible 409 45 A TRP CG 2 C3H0b 0.770 1.610 2.782 9.960 9.915 1.005 [OK] 410 45 A TRP CD1 5 C3H1s 0.770 1.760 16.408 -1.000 20.597 -1.000 bad 411 45 A TRP CD2 2 C3H0b 0.770 1.610 2.362 9.614 10.068 0.955 [OK] 412 45 A TRP NE1 13 N3H1b 0.700 1.640 4.891 20.702 16.723 1.238 possible 413 45 A TRP CE2 2 C3H0b 0.770 1.610 2.251 9.122 9.848 0.926 [OK] 414 45 A TRP CE3 6 C3H1b 0.770 1.760 2.813 18.855 20.383 0.925 [OK] 415 45 A TRP CZ2 6 C3H1b 0.770 1.760 4.054 23.690 20.931 1.132 possible 416 45 A TRP CZ3 6 C3H1b 0.770 1.760 3.098 18.939 21.429 0.884 possible 417 45 A TRP CH2 6 C3H1b 0.770 1.760 3.401 22.539 21.219 1.062 possible 420 46 A ILE N 12 N3H1s 0.700 1.640 2.379 11.711 13.493 0.868 [OK] 421 46 A ILE CA 3 C4H1s 0.770 1.880 6.059 20.671 12.946 1.597 possible 422 46 A ILE C 1 C3H0s 0.770 1.610 3.080 8.667 8.445 1.026 possible 423 46 A ILE O 16 O1H0u 0.660 1.420 5.153 28.756 15.930 1.805 possible 424 46 A ILE CB 4 C4H1b 0.770 1.880 4.480 16.749 14.146 1.184 possible 425 46 A ILE CG1 9 C4H2b 0.770 1.880 5.435 27.610 24.071 1.147 possible 426 46 A ILE CG2 10 C4H3u 0.770 1.880 52.658 -1.000 35.763 -1.000 bad 427 46 A ILE CD1 10 C4H3u 0.770 1.880 26.559 -1.000 38.219 -1.000 bad 429 47 A ALA N 12 N3H1s 0.700 1.640 4.172 14.827 13.872 1.069 possible 430 47 A ALA CA 4 C4H1b 0.770 1.880 6.850 28.125 13.959 2.015 possible 431 47 A ALA C 1 C3H0s 0.770 1.610 3.606 9.158 8.858 1.034 possible 432 47 A ALA O 16 O1H0u 0.660 1.420 5.911 25.342 16.026 1.581 possible 433 47 A ALA CB 10 C4H3u 0.770 1.880 42.103 -1.000 36.551 -1.000 bad 435 48 A LEU N 12 N3H1s 0.700 1.640 3.031 14.251 13.517 1.054 possible 436 48 A LEU CA 3 C4H1s 0.770 1.880 3.286 13.771 13.055 1.055 possible 437 48 A LEU C 1 C3H0s 0.770 1.610 3.790 8.997 8.781 1.025 possible 438 48 A LEU O 16 O1H0u 0.660 1.420 4.878 26.556 15.957 1.664 possible 439 48 A LEU CB 8 C4H2s 0.770 1.880 4.347 33.174 22.818 1.454 possible 440 48 A LEU CG 4 C4H1b 0.770 1.880 7.748 55.429 14.704 3.770 possible 441 48 A LEU CD1 10 C4H3u 0.770 1.880 41.408 -1.000 37.235 -1.000 bad 442 48 A LEU CD2 10 C4H3u 0.770 1.880 4.146 49.146 37.020 1.328 possible 444 49 A GLY N 12 N3H1s 0.700 1.640 3.825 16.462 14.480 1.137 possible 445 49 A GLY CA 8 C4H2s 0.770 1.880 27.842 -1.000 23.470 -1.000 bad 446 49 A GLY C 2 C3H0b 0.770 1.610 6.712 16.967 9.652 1.758 possible 447 49 A GLY O 16 O1H0u 0.660 1.420 7.463 43.109 16.154 2.669 possible 449 50 A ALA N 12 N3H1s 0.700 1.640 6.416 19.014 13.872 1.371 possible 450 50 A ALA CA 4 C4H1b 0.770 1.880 7.772 37.484 13.959 2.685 possible 451 50 A ALA C 1 C3H0s 0.770 1.610 4.347 9.611 8.858 1.085 possible 452 50 A ALA O 16 O1H0u 0.660 1.420 5.182 -1.000 16.026 -1.000 bad 453 50 A ALA CB 10 C4H3u 0.770 1.880 49.700 -1.000 36.551 -1.000 bad 455 51 A ALA N 12 N3H1s 0.700 1.640 5.240 16.976 13.872 1.224 possible 456 51 A ALA CA 4 C4H1b 0.770 1.880 8.111 -1.000 13.959 -1.000 bad 457 51 A ALA C 1 C3H0s 0.770 1.610 3.561 8.783 8.858 0.992 possible 458 51 A ALA O 16 O1H0u 0.660 1.420 5.021 20.329 16.026 1.268 possible 459 51 A ALA CB 10 C4H3u 0.770 1.880 45.934 -1.000 36.551 -1.000 bad 461 52 A LYS N 12 N3H1s 0.700 1.640 5.021 17.160 13.429 1.278 possible 462 52 A LYS CA 3 C4H1s 0.770 1.880 6.916 26.562 13.217 2.010 possible 463 52 A LYS C 1 C3H0s 0.770 1.610 2.294 7.724 8.696 0.888 [OK] 464 52 A LYS O 16 O1H0u 0.660 1.420 3.883 17.195 15.818 1.087 possible 465 52 A LYS CB 8 C4H2s 0.770 1.880 7.038 40.932 22.578 1.813 possible 466 52 A LYS CG 8 C4H2s 0.770 1.880 5.853 39.661 22.847 1.736 possible 467 52 A LYS CD 8 C4H2s 0.770 1.880 6.757 84.417 23.365 3.613 possible 468 52 A LYS CE 9 C4H2b 0.770 1.880 36.594 -1.000 23.720 -1.000 bad 469 52 A LYS NZ 14 N4H3u 0.700 1.640 41.934 -1.000 21.413 -1.000 bad 474 53 A SER N 12 N3H1s 0.700 1.640 2.765 13.660 13.808 0.989 [OK] 475 53 A SER CA 3 C4H1s 0.770 1.880 2.898 11.341 13.351 0.849 [OK] 476 53 A SER C 1 C3H0s 0.770 1.610 4.142 9.242 8.858 1.043 possible 477 53 A SER O 16 O1H0u 0.660 1.420 11.835 -1.000 15.860 -1.000 bad 478 53 A SER CB 8 C4H2s 0.770 1.880 29.212 -1.000 23.599 -1.000 bad 479 53 A SER OG 17 O2H1u 0.660 1.460 22.021 -1.000 18.021 -1.000 bad 482 54 A ALA N 12 N3H1s 0.700 1.640 4.753 15.563 13.872 1.122 possible 483 54 A ALA CA 4 C4H1b 0.770 1.880 12.662 -1.000 13.959 -1.000 bad 484 54 A ALA C 1 C3H0s 0.770 1.610 4.106 9.312 8.858 1.051 possible 485 54 A ALA O 16 O1H0u 0.660 1.420 24.321 -1.000 16.026 -1.000 bad 486 54 A ALA CB 10 C4H3u 0.770 1.880 51.062 -1.000 36.551 -1.000 bad 488 55 A ALA N 12 N3H1s 0.700 1.640 4.618 14.955 13.872 1.078 possible 489 55 A ALA CA 4 C4H1b 0.770 1.880 12.445 -1.000 13.959 -1.000 bad 490 55 A ALA C 1 C3H0s 0.770 1.610 3.452 9.886 8.858 1.116 possible 491 55 A ALA O 16 O1H0u 0.660 1.420 31.618 -1.000 16.026 -1.000 bad 492 55 A ALA CB 10 C4H3u 0.770 1.880 47.856 -1.000 36.551 -1.000 bad 494 56 A LYS N 12 N3H1s 0.700 1.640 3.138 13.951 13.429 1.039 possible 495 56 A LYS CA 3 C4H1s 0.770 1.880 7.684 25.228 13.217 1.909 possible 496 56 A LYS C 1 C3H0s 0.770 1.610 4.430 10.090 8.696 1.160 possible 497 56 A LYS O 16 O1H0u 0.660 1.420 42.808 -1.000 15.818 -1.000 bad 498 56 A LYS CB 8 C4H2s 0.770 1.880 16.081 -1.000 22.578 -1.000 bad 499 56 A LYS CG 8 C4H2s 0.770 1.880 21.666 -1.000 22.847 -1.000 bad 500 56 A LYS CD 8 C4H2s 0.770 1.880 32.172 -1.000 23.365 -1.000 bad 501 56 A LYS CE 9 C4H2b 0.770 1.880 8.561 -1.000 23.720 -1.000 bad 502 56 A LYS NZ 14 N4H3u 0.700 1.640 35.797 -1.000 21.413 -1.000 bad 503 56 A LYS OXT 16 O1H0u 0.660 1.420 24.137 -1.000 1.420 -1.000 bad 509 3 B ARG N 12 N3H1s 0.700 1.640 36.896 -1.000 13.486 -1.000 bad 510 3 B ARG CA 3 C4H1s 0.770 1.880 3.139 12.540 13.310 0.942 possible 511 3 B ARG C 1 C3H0s 0.770 1.610 4.117 10.514 8.779 1.198 possible 512 3 B ARG O 16 O1H0u 0.660 1.420 27.918 -1.000 15.916 -1.000 bad 513 3 B ARG CB 8 C4H2s 0.770 1.880 26.905 -1.000 22.833 -1.000 bad 514 3 B ARG CG 8 C4H2s 0.770 1.880 30.899 -1.000 23.273 -1.000 bad 515 3 B ARG CD 8 C4H2s 0.770 1.880 36.280 -1.000 22.849 -1.000 bad 516 3 B ARG NE 13 N3H1b 0.700 1.640 6.475 27.977 15.019 1.863 possible 517 3 B ARG CZ 2 C3H0b 0.770 1.610 5.753 14.626 9.678 1.511 possible 518 3 B ARG NH1 15 N3H2u 0.700 1.640 43.096 -1.000 22.056 -1.000 bad 519 3 B ARG NH2 15 N3H2u 0.700 1.640 3.749 35.587 23.132 1.538 possible 528 4 B SER N 12 N3H1s 0.700 1.640 4.251 19.253 13.808 1.394 possible 529 4 B SER CA 3 C4H1s 0.770 1.880 5.863 28.332 13.351 2.122 possible 530 4 B SER C 1 C3H0s 0.770 1.610 3.446 11.268 8.858 1.272 possible 531 4 B SER O 16 O1H0u 0.660 1.420 6.077 47.215 15.860 2.977 possible 532 4 B SER CB 8 C4H2s 0.770 1.880 5.724 44.758 23.599 1.897 possible 533 4 B SER OG 17 O2H1u 0.660 1.460 2.541 16.317 18.021 0.905 [OK] 536 5 B LEU N 12 N3H1s 0.700 1.640 3.476 18.405 13.517 1.362 possible 537 5 B LEU CA 3 C4H1s 0.770 1.880 3.841 15.106 13.055 1.157 possible 538 5 B LEU C 1 C3H0s 0.770 1.610 2.406 8.686 8.781 0.989 [OK] 539 5 B LEU O 16 O1H0u 0.660 1.420 13.327 -1.000 15.957 -1.000 bad 540 5 B LEU CB 8 C4H2s 0.770 1.880 2.756 21.422 22.818 0.939 [OK] 541 5 B LEU CG 4 C4H1b 0.770 1.880 3.477 17.737 14.704 1.206 possible 542 5 B LEU CD1 10 C4H3u 0.770 1.880 3.095 39.394 37.235 1.058 possible 543 5 B LEU CD2 10 C4H3u 0.770 1.880 3.945 40.746 37.020 1.101 possible 545 6 B SER N 12 N3H1s 0.700 1.640 2.352 12.271 13.808 0.889 [OK] 546 6 B SER CA 3 C4H1s 0.770 1.880 3.896 17.928 13.351 1.343 possible 547 6 B SER C 1 C3H0s 0.770 1.610 3.843 10.239 8.858 1.156 possible 548 6 B SER O 16 O1H0u 0.660 1.420 12.030 -1.000 15.860 -1.000 bad 549 6 B SER CB 8 C4H2s 0.770 1.880 2.798 22.127 23.599 0.938 [OK] 550 6 B SER OG 17 O2H1u 0.660 1.460 2.355 15.405 18.021 0.855 [OK] 553 7 B GLY N 12 N3H1s 0.700 1.640 3.643 14.641 14.480 1.011 possible 554 7 B GLY CA 8 C4H2s 0.770 1.880 22.618 -1.000 23.470 -1.000 bad 555 7 B GLY C 2 C3H0b 0.770 1.610 3.497 11.298 9.652 1.171 possible 556 7 B GLY O 16 O1H0u 0.660 1.420 5.502 -1.000 16.154 -1.000 bad 558 8 B LEU N 12 N3H1s 0.700 1.640 2.389 11.969 13.517 0.885 [OK] 559 8 B LEU CA 3 C4H1s 0.770 1.880 2.890 13.066 13.055 1.001 [OK] 560 8 B LEU C 1 C3H0s 0.770 1.610 2.401 9.172 8.781 1.045 [OK] 561 8 B LEU O 16 O1H0u 0.660 1.420 3.843 21.323 15.957 1.336 possible 562 8 B LEU CB 8 C4H2s 0.770 1.880 2.872 23.352 22.818 1.023 [OK] 563 8 B LEU CG 4 C4H1b 0.770 1.880 2.754 14.077 14.704 0.957 [OK] 564 8 B LEU CD1 10 C4H3u 0.770 1.880 4.688 47.999 37.235 1.289 possible 565 8 B LEU CD2 10 C4H3u 0.770 1.880 5.442 68.809 37.020 1.859 possible 567 9 B THR N 12 N3H1s 0.700 1.640 2.555 12.154 13.544 0.897 [OK] 568 9 B THR CA 3 C4H1s 0.770 1.880 4.836 22.077 13.025 1.695 possible 569 9 B THR C 1 C3H0s 0.770 1.610 2.403 8.252 8.685 0.950 [OK] 570 9 B THR O 16 O1H0u 0.660 1.420 2.293 12.883 15.795 0.816 [OK] 571 9 B THR CB 4 C4H1b 0.770 1.880 5.288 24.036 14.687 1.637 possible 572 9 B THR OG1 17 O2H1u 0.660 1.460 4.252 20.972 17.610 1.191 possible 573 9 B THR CG2 10 C4H3u 0.770 1.880 30.088 -1.000 36.265 -1.000 bad 576 10 B GLU N 12 N3H1s 0.700 1.640 5.200 30.616 13.461 2.274 possible 577 10 B GLU CA 3 C4H1s 0.770 1.880 2.851 14.022 13.284 1.056 [OK] 578 10 B GLU C 1 C3H0s 0.770 1.610 3.300 8.823 8.631 1.022 possible 579 10 B GLU O 16 O1H0u 0.660 1.420 2.518 14.595 15.765 0.926 [OK] 580 10 B GLU CB 8 C4H2s 0.770 1.880 5.499 42.043 23.214 1.811 possible 581 10 B GLU CG 8 C4H2s 0.770 1.880 7.079 36.572 23.304 1.569 possible 582 10 B GLU CD 2 C3H0b 0.770 1.610 3.590 -1.000 9.437 -1.000 bad 583 10 B GLU OE1 16 O1H0u 0.660 1.420 36.749 -1.000 15.497 -1.000 bad 584 10 B GLU OE2 16 O1H0u 0.660 1.420 23.385 -1.000 16.213 -1.000 bad 586 11 B GLU N 12 N3H1s 0.700 1.640 3.365 13.542 13.461 1.006 possible 587 11 B GLU CA 3 C4H1s 0.770 1.880 4.001 18.574 13.284 1.398 possible 588 11 B GLU C 1 C3H0s 0.770 1.610 2.516 8.531 8.631 0.988 [OK] 589 11 B GLU O 16 O1H0u 0.660 1.420 2.808 20.036 15.765 1.271 [OK] 590 11 B GLU CB 8 C4H2s 0.770 1.880 4.828 39.927 23.214 1.720 possible 591 11 B GLU CG 8 C4H2s 0.770 1.880 38.123 -1.000 23.304 -1.000 bad 592 11 B GLU CD 2 C3H0b 0.770 1.610 3.386 -1.000 9.437 -1.000 bad 593 11 B GLU OE1 16 O1H0u 0.660 1.420 31.592 -1.000 15.497 -1.000 bad 594 11 B GLU OE2 16 O1H0u 0.660 1.420 27.372 -1.000 16.213 -1.000 bad 596 12 B GLU N 12 N3H1s 0.700 1.640 2.768 12.232 13.461 0.909 [OK] 597 12 B GLU CA 3 C4H1s 0.770 1.880 2.889 15.047 13.284 1.133 [OK] 598 12 B GLU C 1 C3H0s 0.770 1.610 2.278 8.360 8.631 0.969 [OK] 599 12 B GLU O 16 O1H0u 0.660 1.420 2.700 16.114 15.765 1.022 [OK] 600 12 B GLU CB 8 C4H2s 0.770 1.880 3.974 25.102 23.214 1.081 possible 601 12 B GLU CG 8 C4H2s 0.770 1.880 4.932 37.277 23.304 1.600 possible 602 12 B GLU CD 2 C3H0b 0.770 1.610 3.667 12.494 9.437 1.324 possible 603 12 B GLU OE1 16 O1H0u 0.660 1.420 2.944 16.171 15.497 1.044 [OK] 604 12 B GLU OE2 16 O1H0u 0.660 1.420 39.243 -1.000 16.213 -1.000 bad 606 13 B ALA N 12 N3H1s 0.700 1.640 2.461 13.286 13.872 0.958 [OK] 607 13 B ALA CA 4 C4H1b 0.770 1.880 2.928 15.540 13.959 1.113 [OK] 608 13 B ALA C 1 C3H0s 0.770 1.610 2.411 8.244 8.858 0.931 [OK] 609 13 B ALA O 16 O1H0u 0.660 1.420 2.339 15.520 16.026 0.968 [OK] 610 13 B ALA CB 10 C4H3u 0.770 1.880 2.908 35.237 36.551 0.964 [OK] 612 14 B ILE N 12 N3H1s 0.700 1.640 2.286 12.597 13.493 0.934 [OK] 613 14 B ILE CA 3 C4H1s 0.770 1.880 2.734 13.374 12.946 1.033 [OK] 614 14 B ILE C 1 C3H0s 0.770 1.610 2.707 8.088 8.445 0.958 [OK] 615 14 B ILE O 16 O1H0u 0.660 1.420 2.824 15.852 15.930 0.995 [OK] 616 14 B ILE CB 4 C4H1b 0.770 1.880 3.509 15.131 14.146 1.070 possible 617 14 B ILE CG1 9 C4H2b 0.770 1.880 2.727 20.712 24.071 0.860 [OK] 618 14 B ILE CG2 10 C4H3u 0.770 1.880 6.596 78.625 35.763 2.198 possible 619 14 B ILE CD1 10 C4H3u 0.770 1.880 19.585 -1.000 38.219 -1.000 bad 621 15 B ALA N 12 N3H1s 0.700 1.640 3.047 13.863 13.872 0.999 possible 622 15 B ALA CA 4 C4H1b 0.770 1.880 3.232 16.772 13.959 1.202 possible 623 15 B ALA C 1 C3H0s 0.770 1.610 2.171 8.384 8.858 0.947 [OK] 624 15 B ALA O 16 O1H0u 0.660 1.420 2.342 15.565 16.026 0.971 [OK] 625 15 B ALA CB 10 C4H3u 0.770 1.880 5.678 56.257 36.551 1.539 possible 627 16 B VAL N 12 N3H1s 0.700 1.640 2.586 12.970 13.553 0.957 [OK] 628 16 B VAL CA 3 C4H1s 0.770 1.880 2.482 11.786 13.078 0.901 [OK] 629 16 B VAL C 1 C3H0s 0.770 1.610 2.495 7.348 8.528 0.862 [OK] 630 16 B VAL O 16 O1H0u 0.660 1.420 2.552 15.325 15.998 0.958 [OK] 631 16 B VAL CB 4 C4H1b 0.770 1.880 2.945 15.640 14.514 1.078 [OK] 632 16 B VAL CG1 10 C4H3u 0.770 1.880 3.535 44.782 36.320 1.233 possible 633 16 B VAL CG2 10 C4H3u 0.770 1.880 5.037 56.510 36.173 1.562 possible 635 17 B HIS N 12 N3H1s 0.700 1.640 2.456 12.881 13.532 0.952 [OK] 636 17 B HIS CA 3 C4H1s 0.770 1.880 2.819 13.211 13.335 0.991 [OK] 637 17 B HIS C 1 C3H0s 0.770 1.610 2.205 8.024 8.760 0.916 [OK] 638 17 B HIS O 16 O1H0u 0.660 1.420 2.620 14.763 15.855 0.931 [OK] 639 17 B HIS CB 8 C4H2s 0.770 1.880 2.612 19.955 23.443 0.851 [OK] 640 17 B HIS CG 2 C3H0b 0.770 1.610 2.376 8.643 9.870 0.876 [OK] 641 17 B HIS ND1 13 N3H1b 0.700 1.640 2.760 16.661 15.483 1.076 [OK] 642 17 B HIS CD2 5 C3H1s 0.770 1.760 2.985 21.443 20.938 1.024 [OK] 643 17 B HIS CE1 5 C3H1s 0.770 1.760 2.938 18.497 20.491 0.903 [OK] 644 17 B HIS NE2 13 N3H1b 0.700 1.640 3.003 16.745 15.758 1.063 possible 648 18 B ASP N 12 N3H1s 0.700 1.640 2.142 11.810 13.654 0.865 [OK] 649 18 B ASP CA 3 C4H1s 0.770 1.880 2.513 12.714 13.254 0.959 [OK] 650 18 B ASP C 1 C3H0s 0.770 1.610 2.603 8.249 8.750 0.943 [OK] 651 18 B ASP O 16 O1H0u 0.660 1.420 2.882 18.312 15.757 1.162 [OK] 652 18 B ASP CB 8 C4H2s 0.770 1.880 3.273 23.433 23.022 1.018 possible 653 18 B ASP CG 2 C3H0b 0.770 1.610 3.133 10.966 9.336 1.175 possible 654 18 B ASP OD1 16 O1H0u 0.660 1.420 19.713 -1.000 15.078 -1.000 bad 655 18 B ASP OD2 16 O1H0u 0.660 1.420 25.462 -1.000 15.582 -1.000 bad 657 19 B GLN N 12 N3H1s 0.700 1.640 2.906 13.739 13.449 1.022 [OK] 658 19 B GLN CA 3 C4H1s 0.770 1.880 3.958 17.540 13.231 1.326 possible 659 19 B GLN C 1 C3H0s 0.770 1.610 2.183 8.307 8.744 0.950 [OK] 660 19 B GLN O 16 O1H0u 0.660 1.420 2.292 14.338 15.767 0.909 [OK] 661 19 B GLN CB 8 C4H2s 0.770 1.880 3.519 25.961 23.059 1.126 possible 662 19 B GLN CG 8 C4H2s 0.770 1.880 3.896 22.916 23.218 0.987 possible 663 19 B GLN CD 2 C3H0b 0.770 1.610 5.177 13.720 9.618 1.427 possible 664 19 B GLN OE1 16 O1H0u 0.660 1.420 39.706 -1.000 16.571 -1.000 bad 665 19 B GLN NE2 15 N3H2u 0.700 1.640 14.570 -1.000 23.255 -1.000 bad 669 20 B PHE N 12 N3H1s 0.700 1.640 2.525 12.876 13.524 0.952 [OK] 670 20 B PHE CA 3 C4H1s 0.770 1.880 2.663 13.745 13.371 1.028 [OK] 671 20 B PHE C 1 C3H0s 0.770 1.610 2.232 7.625 8.697 0.877 [OK] 672 20 B PHE O 16 O1H0u 0.660 1.420 2.281 14.331 15.961 0.898 [OK] 673 20 B PHE CB 8 C4H2s 0.770 1.880 3.052 25.546 23.623 1.081 possible 674 20 B PHE CG 2 C3H0b 0.770 1.610 2.667 10.182 9.684 1.051 [OK] 675 20 B PHE CD1 5 C3H1s 0.770 1.760 2.945 17.198 20.325 0.846 [OK] 676 20 B PHE CD2 6 C3H1b 0.770 1.760 3.036 21.900 20.948 1.045 possible 677 20 B PHE CE1 6 C3H1b 0.770 1.760 2.932 20.933 21.532 0.972 [OK] 678 20 B PHE CE2 6 C3H1b 0.770 1.760 3.168 22.267 21.625 1.030 possible 679 20 B PHE CZ 6 C3H1b 0.770 1.760 2.978 22.752 21.555 1.056 [OK] 681 21 B LYS N 12 N3H1s 0.700 1.640 2.824 13.260 13.429 0.987 [OK] 682 21 B LYS CA 3 C4H1s 0.770 1.880 2.775 13.262 13.217 1.003 [OK] 683 21 B LYS C 1 C3H0s 0.770 1.610 3.942 8.763 8.696 1.008 possible 684 21 B LYS O 16 O1H0u 0.660 1.420 4.366 19.130 15.818 1.209 possible 685 21 B LYS CB 8 C4H2s 0.770 1.880 4.412 24.969 22.578 1.106 possible 686 21 B LYS CG 8 C4H2s 0.770 1.880 3.049 22.276 22.847 0.975 possible 687 21 B LYS CD 8 C4H2s 0.770 1.880 6.580 46.218 23.365 1.978 possible 688 21 B LYS CE 9 C4H2b 0.770 1.880 7.394 46.090 23.720 1.943 possible 689 21 B LYS NZ 14 N4H3u 0.700 1.640 25.330 -1.000 21.413 -1.000 bad 694 22 B THR N 12 N3H1s 0.700 1.640 3.455 13.773 13.544 1.017 possible 695 22 B THR CA 3 C4H1s 0.770 1.880 4.858 20.536 13.025 1.577 possible 696 22 B THR C 1 C3H0s 0.770 1.610 2.577 7.998 8.685 0.921 [OK] 697 22 B THR O 16 O1H0u 0.660 1.420 5.384 24.792 15.795 1.570 possible 698 22 B THR CB 4 C4H1b 0.770 1.880 3.137 13.849 14.687 0.943 possible 699 22 B THR OG1 17 O2H1u 0.660 1.460 21.706 -1.000 17.610 -1.000 bad 700 22 B THR CG2 10 C4H3u 0.770 1.880 49.182 -1.000 36.265 -1.000 bad 703 23 B THR N 12 N3H1s 0.700 1.640 2.696 12.893 13.544 0.952 [OK] 704 23 B THR CA 3 C4H1s 0.770 1.880 3.976 16.341 13.025 1.255 possible 705 23 B THR C 1 C3H0s 0.770 1.610 2.217 8.032 8.685 0.925 [OK] 706 23 B THR O 16 O1H0u 0.660 1.420 2.621 15.515 15.795 0.982 [OK] 707 23 B THR CB 4 C4H1b 0.770 1.880 2.717 14.370 14.687 0.978 [OK] 708 23 B THR OG1 17 O2H1u 0.660 1.460 7.366 54.625 17.610 3.102 possible 709 23 B THR CG2 10 C4H3u 0.770 1.880 5.549 45.333 36.265 1.250 possible 712 24 B PHE N 12 N3H1s 0.700 1.640 2.429 13.454 13.524 0.995 [OK] 713 24 B PHE CA 3 C4H1s 0.770 1.880 2.844 14.405 13.371 1.077 [OK] 714 24 B PHE C 1 C3H0s 0.770 1.610 2.346 7.927 8.697 0.911 [OK] 715 24 B PHE O 16 O1H0u 0.660 1.420 2.492 14.975 15.961 0.938 [OK] 716 24 B PHE CB 8 C4H2s 0.770 1.880 2.826 21.991 23.623 0.931 [OK] 717 24 B PHE CG 2 C3H0b 0.770 1.610 2.624 9.513 9.684 0.982 [OK] 718 24 B PHE CD1 5 C3H1s 0.770 1.760 2.832 19.766 20.325 0.973 [OK] 719 24 B PHE CD2 6 C3H1b 0.770 1.760 3.746 22.927 20.948 1.094 possible 720 24 B PHE CE1 6 C3H1b 0.770 1.760 2.948 24.981 21.532 1.160 [OK] 721 24 B PHE CE2 6 C3H1b 0.770 1.760 3.839 25.638 21.625 1.186 possible 722 24 B PHE CZ 6 C3H1b 0.770 1.760 3.048 21.071 21.555 0.978 possible 724 25 B SER N 12 N3H1s 0.700 1.640 2.572 13.036 13.808 0.944 [OK] 725 25 B SER CA 3 C4H1s 0.770 1.880 3.873 17.130 13.351 1.283 possible 726 25 B SER C 1 C3H0s 0.770 1.610 4.124 9.103 8.858 1.028 possible 727 25 B SER O 16 O1H0u 0.660 1.420 4.332 19.416 15.860 1.224 possible 728 25 B SER CB 8 C4H2s 0.770 1.880 26.704 -1.000 23.599 -1.000 bad 729 25 B SER OG 17 O2H1u 0.660 1.460 10.376 -1.000 18.021 -1.000 bad 732 26 B ALA N 12 N3H1s 0.700 1.640 5.052 15.980 13.872 1.152 possible 733 26 B ALA CA 4 C4H1b 0.770 1.880 5.592 23.430 13.959 1.679 possible 734 26 B ALA C 1 C3H0s 0.770 1.610 2.744 8.905 8.858 1.005 [OK] 735 26 B ALA O 16 O1H0u 0.660 1.420 2.642 16.779 16.026 1.047 [OK] 736 26 B ALA CB 10 C4H3u 0.770 1.880 6.380 70.915 36.551 1.940 possible 738 27 B PHE N 12 N3H1s 0.700 1.640 2.773 13.130 13.524 0.971 [OK] 739 27 B PHE CA 3 C4H1s 0.770 1.880 3.504 17.989 13.371 1.345 possible 740 27 B PHE C 1 C3H0s 0.770 1.610 2.510 8.121 8.697 0.934 [OK] 741 27 B PHE O 16 O1H0u 0.660 1.420 2.785 16.405 15.961 1.028 [OK] 742 27 B PHE CB 8 C4H2s 0.770 1.880 3.094 26.606 23.623 1.126 possible 743 27 B PHE CG 2 C3H0b 0.770 1.610 2.761 10.398 9.684 1.074 [OK] 744 27 B PHE CD1 5 C3H1s 0.770 1.760 4.113 33.672 20.325 1.657 possible 745 27 B PHE CD2 6 C3H1b 0.770 1.760 2.793 23.011 20.948 1.098 [OK] 746 27 B PHE CE1 6 C3H1b 0.770 1.760 3.445 25.613 21.532 1.190 possible 747 27 B PHE CE2 6 C3H1b 0.770 1.760 2.870 22.020 21.625 1.018 [OK] 748 27 B PHE CZ 6 C3H1b 0.770 1.760 3.039 24.149 21.555 1.120 possible 750 28 B ILE N 12 N3H1s 0.700 1.640 2.468 12.796 13.493 0.948 [OK] 751 28 B ILE CA 3 C4H1s 0.770 1.880 2.922 12.585 12.946 0.972 [OK] 752 28 B ILE C 1 C3H0s 0.770 1.610 2.284 7.502 8.445 0.888 [OK] 753 28 B ILE O 16 O1H0u 0.660 1.420 2.540 16.277 15.930 1.022 [OK] 754 28 B ILE CB 4 C4H1b 0.770 1.880 4.213 18.713 14.146 1.323 possible 755 28 B ILE CG1 9 C4H2b 0.770 1.880 4.097 28.533 24.071 1.185 possible 756 28 B ILE CG2 10 C4H3u 0.770 1.880 4.548 42.123 35.763 1.178 possible 757 28 B ILE CD1 10 C4H3u 0.770 1.880 3.148 39.541 38.219 1.035 possible 759 29 B ILE N 12 N3H1s 0.700 1.640 2.476 13.177 13.493 0.977 [OK] 760 29 B ILE CA 3 C4H1s 0.770 1.880 3.277 14.390 12.946 1.112 possible 761 29 B ILE C 1 C3H0s 0.770 1.610 2.137 7.653 8.445 0.906 [OK] 762 29 B ILE O 16 O1H0u 0.660 1.420 4.069 17.847 15.930 1.120 possible 763 29 B ILE CB 4 C4H1b 0.770 1.880 7.781 -1.000 14.146 -1.000 bad 764 29 B ILE CG1 9 C4H2b 0.770 1.880 7.355 39.194 24.071 1.628 possible 765 29 B ILE CG2 10 C4H3u 0.770 1.880 31.012 -1.000 35.763 -1.000 bad 766 29 B ILE CD1 10 C4H3u 0.770 1.880 34.425 -1.000 38.219 -1.000 bad 768 30 B LEU N 12 N3H1s 0.700 1.640 2.211 11.813 13.517 0.874 [OK] 769 30 B LEU CA 3 C4H1s 0.770 1.880 2.888 13.221 13.055 1.013 [OK] 770 30 B LEU C 1 C3H0s 0.770 1.610 2.317 8.408 8.781 0.958 [OK] 771 30 B LEU O 16 O1H0u 0.660 1.420 3.950 20.811 15.957 1.304 possible 772 30 B LEU CB 8 C4H2s 0.770 1.880 3.647 27.066 22.818 1.186 possible 773 30 B LEU CG 4 C4H1b 0.770 1.880 3.037 15.163 14.704 1.031 possible 774 30 B LEU CD1 10 C4H3u 0.770 1.880 4.336 63.588 37.235 1.708 possible 775 30 B LEU CD2 10 C4H3u 0.770 1.880 35.089 -1.000 37.020 -1.000 bad 777 31 B ALA N 12 N3H1s 0.700 1.640 2.911 13.384 13.872 0.965 [OK] 778 31 B ALA CA 4 C4H1b 0.770 1.880 2.755 13.988 13.959 1.002 [OK] 779 31 B ALA C 1 C3H0s 0.770 1.610 2.590 8.747 8.858 0.987 [OK] 780 31 B ALA O 16 O1H0u 0.660 1.420 2.443 14.709 16.026 0.918 [OK] 781 31 B ALA CB 10 C4H3u 0.770 1.880 3.135 40.601 36.551 1.111 possible 783 32 B ALA N 12 N3H1s 0.700 1.640 2.500 13.191 13.872 0.951 [OK] 784 32 B ALA CA 4 C4H1b 0.770 1.880 3.217 16.199 13.959 1.161 possible 785 32 B ALA C 1 C3H0s 0.770 1.610 3.628 9.170 8.858 1.035 possible 786 32 B ALA O 16 O1H0u 0.660 1.420 2.919 17.802 16.026 1.111 [OK] 787 32 B ALA CB 10 C4H3u 0.770 1.880 6.348 64.741 36.551 1.771 possible 789 33 B VAL N 12 N3H1s 0.700 1.640 3.782 14.264 13.553 1.052 possible 790 33 B VAL CA 3 C4H1s 0.770 1.880 3.756 17.193 13.078 1.315 possible 791 33 B VAL C 1 C3H0s 0.770 1.610 2.509 7.680 8.528 0.901 [OK] 792 33 B VAL O 16 O1H0u 0.660 1.420 3.025 15.953 15.998 0.997 possible 793 33 B VAL CB 4 C4H1b 0.770 1.880 3.246 15.407 14.514 1.062 possible 794 33 B VAL CG1 10 C4H3u 0.770 1.880 36.117 -1.000 36.320 -1.000 bad 795 33 B VAL CG2 10 C4H3u 0.770 1.880 38.105 -1.000 36.173 -1.000 bad 797 34 B ALA N 12 N3H1s 0.700 1.640 3.649 14.388 13.872 1.037 possible 798 34 B ALA CA 4 C4H1b 0.770 1.880 3.957 17.176 13.959 1.230 possible 799 34 B ALA C 1 C3H0s 0.770 1.610 2.138 7.876 8.858 0.889 [OK] 800 34 B ALA O 16 O1H0u 0.660 1.420 2.344 16.731 16.026 1.044 [OK] 801 34 B ALA CB 10 C4H3u 0.770 1.880 4.066 35.166 36.551 0.962 possible 803 35 B HIS N 12 N3H1s 0.700 1.640 2.215 11.878 13.532 0.878 [OK] 804 35 B HIS CA 3 C4H1s 0.770 1.880 3.282 14.923 13.335 1.119 possible 805 35 B HIS C 1 C3H0s 0.770 1.610 2.353 8.352 8.760 0.953 [OK] 806 35 B HIS O 16 O1H0u 0.660 1.420 2.510 14.348 15.855 0.905 [OK] 807 35 B HIS CB 8 C4H2s 0.770 1.880 3.285 26.582 23.443 1.134 possible 808 35 B HIS CG 2 C3H0b 0.770 1.610 3.004 10.311 9.870 1.045 possible 809 35 B HIS ND1 13 N3H1b 0.700 1.640 2.629 14.387 15.483 0.929 [OK] 810 35 B HIS CD2 5 C3H1s 0.770 1.760 3.167 21.795 20.938 1.041 possible 811 35 B HIS CE1 5 C3H1s 0.770 1.760 2.798 18.434 20.491 0.900 [OK] 812 35 B HIS NE2 13 N3H1b 0.700 1.640 2.578 12.469 15.758 0.791 [OK] 816 36 B VAL N 12 N3H1s 0.700 1.640 2.592 12.477 13.553 0.921 [OK] 817 36 B VAL CA 3 C4H1s 0.770 1.880 3.218 13.685 13.078 1.046 possible 818 36 B VAL C 1 C3H0s 0.770 1.610 2.633 7.698 8.528 0.903 [OK] 819 36 B VAL O 16 O1H0u 0.660 1.420 3.085 15.914 15.998 0.995 possible 820 36 B VAL CB 4 C4H1b 0.770 1.880 3.859 16.036 14.514 1.105 possible 821 36 B VAL CG1 10 C4H3u 0.770 1.880 38.427 -1.000 36.320 -1.000 bad 822 36 B VAL CG2 10 C4H3u 0.770 1.880 25.371 -1.000 36.173 -1.000 bad 824 37 B LEU N 12 N3H1s 0.700 1.640 2.694 13.379 13.517 0.990 [OK] 825 37 B LEU CA 3 C4H1s 0.770 1.880 3.199 14.592 13.055 1.118 possible 826 37 B LEU C 1 C3H0s 0.770 1.610 2.322 8.218 8.781 0.936 [OK] 827 37 B LEU O 16 O1H0u 0.660 1.420 2.572 18.475 15.957 1.158 [OK] 828 37 B LEU CB 8 C4H2s 0.770 1.880 3.605 25.352 22.818 1.111 possible 829 37 B LEU CG 4 C4H1b 0.770 1.880 3.001 14.341 14.704 0.975 possible 830 37 B LEU CD1 10 C4H3u 0.770 1.880 33.684 -1.000 37.235 -1.000 bad 831 37 B LEU CD2 10 C4H3u 0.770 1.880 42.213 -1.000 37.020 -1.000 bad 833 38 B VAL N 12 N3H1s 0.700 1.640 2.520 13.336 13.553 0.984 [OK] 834 38 B VAL CA 3 C4H1s 0.770 1.880 2.849 14.443 13.078 1.104 [OK] 835 38 B VAL C 1 C3H0s 0.770 1.610 2.567 7.720 8.528 0.905 [OK] 836 38 B VAL O 16 O1H0u 0.660 1.420 2.524 14.882 15.998 0.930 [OK] 837 38 B VAL CB 4 C4H1b 0.770 1.880 3.281 16.205 14.514 1.117 possible 838 38 B VAL CG1 10 C4H3u 0.770 1.880 2.980 37.127 36.320 1.022 [OK] 839 38 B VAL CG2 10 C4H3u 0.770 1.880 3.105 33.769 36.173 0.934 possible 841 39 B TRP N 12 N3H1s 0.700 1.640 2.549 12.317 13.639 0.903 [OK] 842 39 B TRP CA 3 C4H1s 0.770 1.880 2.811 14.140 13.323 1.061 [OK] 843 39 B TRP C 1 C3H0s 0.770 1.610 2.238 7.649 8.687 0.881 [OK] 844 39 B TRP O 16 O1H0u 0.660 1.420 5.070 22.597 15.797 1.430 possible 845 39 B TRP CB 8 C4H2s 0.770 1.880 3.288 20.013 23.826 0.840 possible 846 39 B TRP CG 2 C3H0b 0.770 1.610 2.375 9.119 9.915 0.920 [OK] 847 39 B TRP CD1 5 C3H1s 0.770 1.760 6.833 44.938 20.597 2.182 possible 848 39 B TRP CD2 2 C3H0b 0.770 1.610 2.374 9.618 10.068 0.955 [OK] 849 39 B TRP NE1 13 N3H1b 0.700 1.640 24.292 -1.000 16.723 -1.000 bad 850 39 B TRP CE2 2 C3H0b 0.770 1.610 3.484 10.610 9.848 1.077 possible 851 39 B TRP CE3 6 C3H1b 0.770 1.760 2.460 16.316 20.383 0.800 [OK] 852 39 B TRP CZ2 6 C3H1b 0.770 1.760 23.905 -1.000 20.931 -1.000 bad 853 39 B TRP CZ3 6 C3H1b 0.770 1.760 2.848 20.001 21.429 0.933 [OK] 854 39 B TRP CH2 6 C3H1b 0.770 1.760 5.973 34.731 21.219 1.637 possible 857 40 B VAL N 12 N3H1s 0.700 1.640 2.826 12.630 13.553 0.932 [OK] 858 40 B VAL CA 3 C4H1s 0.770 1.880 5.506 18.843 13.078 1.441 possible 859 40 B VAL C 1 C3H0s 0.770 1.610 2.367 7.865 8.528 0.922 [OK] 860 40 B VAL O 16 O1H0u 0.660 1.420 24.645 -1.000 15.998 -1.000 bad 861 40 B VAL CB 4 C4H1b 0.770 1.880 3.241 14.024 14.514 0.966 possible 862 40 B VAL CG1 10 C4H3u 0.770 1.880 28.896 -1.000 36.320 -1.000 bad 863 40 B VAL CG2 10 C4H3u 0.770 1.880 45.801 -1.000 36.173 -1.000 bad 865 41 B TRP N 12 N3H1s 0.700 1.640 2.529 12.352 13.639 0.906 [OK] 866 41 B TRP CA 3 C4H1s 0.770 1.880 5.095 20.752 13.323 1.558 possible 867 41 B TRP C 1 C3H0s 0.770 1.610 2.726 8.911 8.687 1.026 [OK] 868 41 B TRP O 16 O1H0u 0.660 1.420 20.380 -1.000 15.797 -1.000 bad 869 41 B TRP CB 8 C4H2s 0.770 1.880 3.578 25.991 23.826 1.091 possible 870 41 B TRP CG 2 C3H0b 0.770 1.610 2.331 9.023 9.915 0.910 [OK] 871 41 B TRP CD1 5 C3H1s 0.770 1.760 12.495 -1.000 20.597 -1.000 bad 872 41 B TRP CD2 2 C3H0b 0.770 1.610 2.339 9.378 10.068 0.932 [OK] 873 41 B TRP NE1 13 N3H1b 0.700 1.640 7.980 64.991 16.723 3.886 possible 874 41 B TRP CE2 2 C3H0b 0.770 1.610 2.532 9.990 9.848 1.014 [OK] 875 41 B TRP CE3 6 C3H1b 0.770 1.760 2.976 23.763 20.383 1.166 [OK] 876 41 B TRP CZ2 6 C3H1b 0.770 1.760 4.258 36.457 20.931 1.742 possible 877 41 B TRP CZ3 6 C3H1b 0.770 1.760 3.272 25.271 21.429 1.179 possible 878 41 B TRP CH2 6 C3H1b 0.770 1.760 3.262 26.603 21.219 1.254 possible 881 42 B LYS N 12 N3H1s 0.700 1.640 2.556 13.622 13.429 1.014 [OK] 882 42 B LYS CA 3 C4H1s 0.770 1.880 3.642 14.623 13.217 1.106 possible 883 42 B LYS C 1 C3H0s 0.770 1.610 2.446 8.764 8.696 1.008 [OK] 884 42 B LYS O 16 O1H0u 0.660 1.420 2.538 18.256 15.818 1.154 [OK] 885 42 B LYS CB 8 C4H2s 0.770 1.880 3.065 23.210 22.578 1.028 possible 886 42 B LYS CG 8 C4H2s 0.770 1.880 3.737 27.824 22.847 1.218 possible 887 42 B LYS CD 8 C4H2s 0.770 1.880 2.846 23.917 23.365 1.024 [OK] 888 42 B LYS CE 9 C4H2b 0.770 1.880 3.076 26.357 23.720 1.111 possible 889 42 B LYS NZ 14 N4H3u 0.700 1.640 25.812 -1.000 21.413 -1.000 bad 894 43 B PRO N 11 N3H0u 0.700 1.640 2.509 8.423 8.650 0.974 [OK] 895 43 B PRO CA 4 C4H1b 0.770 1.880 2.599 13.716 13.828 0.992 [OK] 896 43 B PRO C 1 C3H0s 0.770 1.610 2.352 8.199 8.768 0.935 [OK] 897 43 B PRO O 16 O1H0u 0.660 1.420 2.930 22.367 15.856 1.411 [OK] 898 43 B PRO CB 9 C4H2b 0.770 1.880 4.214 26.995 25.314 1.066 possible 899 43 B PRO CG 9 C4H2b 0.770 1.880 14.115 -1.000 25.480 -1.000 bad 900 43 B PRO CD 8 C4H2s 0.770 1.880 6.514 58.017 23.390 2.480 possible 901 44 B TRP N 12 N3H1s 0.700 1.640 2.532 13.104 13.639 0.961 [OK] 902 44 B TRP CA 3 C4H1s 0.770 1.880 3.042 15.123 13.323 1.135 possible 903 44 B TRP C 1 C3H0s 0.770 1.610 2.654 9.305 8.687 1.071 [OK] 904 44 B TRP O 16 O1H0u 0.660 1.420 2.547 18.055 15.797 1.143 [OK] 905 44 B TRP CB 8 C4H2s 0.770 1.880 3.030 28.762 23.826 1.207 possible 906 44 B TRP CG 2 C3H0b 0.770 1.610 2.301 9.236 9.915 0.932 [OK] 907 44 B TRP CD1 5 C3H1s 0.770 1.760 2.861 21.354 20.597 1.037 [OK] 908 44 B TRP CD2 2 C3H0b 0.770 1.610 2.187 8.869 10.068 0.881 [OK] 909 44 B TRP NE1 13 N3H1b 0.700 1.640 2.634 15.033 16.723 0.899 [OK] 910 44 B TRP CE2 2 C3H0b 0.770 1.610 2.408 8.779 9.848 0.891 [OK] 911 44 B TRP CE3 6 C3H1b 0.770 1.760 2.722 19.884 20.383 0.976 [OK] 912 44 B TRP CZ2 6 C3H1b 0.770 1.760 2.670 18.852 20.931 0.901 [OK] 913 44 B TRP CZ3 6 C3H1b 0.770 1.760 3.138 19.022 21.429 0.888 possible 914 44 B TRP CH2 6 C3H1b 0.770 1.760 3.140 20.098 21.219 0.947 possible 917 45 B PHE N 12 N3H1s 0.700 1.640 2.927 14.362 13.524 1.062 [OK] 918 45 B PHE CA 3 C4H1s 0.770 1.880 3.126 13.701 13.371 1.025 possible 919 45 B PHE C 1 C3H0s 0.770 1.610 3.930 11.236 8.697 1.292 possible 920 45 B PHE O 16 O1H0u 0.660 1.420 9.837 -1.000 15.961 -1.000 bad 921 45 B PHE CB 8 C4H2s 0.770 1.880 5.052 30.821 23.623 1.305 possible 922 45 B PHE CG 2 C3H0b 0.770 1.610 2.738 9.622 9.684 0.994 [OK] 923 45 B PHE CD1 5 C3H1s 0.770 1.760 2.652 16.410 20.325 0.807 [OK] 924 45 B PHE CD2 6 C3H1b 0.770 1.760 4.848 31.562 20.948 1.507 possible 925 45 B PHE CE1 6 C3H1b 0.770 1.760 3.022 24.292 21.532 1.128 possible 926 45 B PHE CE2 6 C3H1b 0.770 1.760 4.694 28.828 21.625 1.333 possible 927 45 B PHE CZ 6 C3H1b 0.770 1.760 2.866 21.043 21.555 0.976 [OK] 928 45 B PHE OXT 16 O1H0u 0.660 1.420 9.156 -1.000 1.420 -1.000 bad 931 57 c BCL MG c 25 DEFAULT 0.770 1.800 2.566 15.154 1.800 8.419 [OK] 932 57 c BCL CHA 9 C4H2b 0.770 1.880 2.503 10.529 1.880 5.600 [OK] 933 57 c BCL CHB 9 C4H2b 0.770 1.880 6.006 45.545 1.880 24.226 possible 934 57 c BCL CHC 9 C4H2b 0.770 1.880 5.121 19.718 1.880 10.488 possible 935 57 c BCL CHD 9 C4H2b 0.770 1.880 2.930 20.711 1.880 11.016 [OK] 936 57 c BCL N A 14 N4H3u 0.700 1.640 2.451 10.688 1.640 6.517 [OK] 937 57 c BCL C1A 9 C4H2b 0.770 1.880 2.581 11.137 1.880 5.924 [OK] 938 57 c BCL C2A 9 C4H2b 0.770 1.880 3.473 13.766 1.880 7.322 possible 939 57 c BCL C3A 9 C4H2b 0.770 1.880 6.179 27.154 1.880 14.444 possible 940 57 c BCL C4A 9 C4H2b 0.770 1.880 4.518 12.947 1.880 6.887 possible 941 57 c BCL CMA 9 C4H2b 0.770 1.880 42.393 -1.000 1.880 -1.000 bad 942 57 c BCL CAA 9 C4H2b 0.770 1.880 4.121 25.920 1.880 13.787 possible 943 57 c BCL CBA 9 C4H2b 0.770 1.880 6.143 54.016 1.880 28.732 possible 944 57 c BCL CGA 9 C4H2b 0.770 1.880 3.663 12.075 1.880 6.423 possible 945 57 c BCL O1A 17 O2H1u 0.660 1.460 7.152 57.067 1.460 39.087 possible 946 57 c BCL O2A 17 O2H1u 0.660 1.460 3.095 17.934 1.460 12.284 possible 947 57 c BCL N B 14 N4H3u 0.700 1.640 3.446 11.864 1.640 7.234 possible 948 57 c BCL C1B 9 C4H2b 0.770 1.880 4.194 15.962 1.880 8.490 possible 949 57 c BCL C2B 9 C4H2b 0.770 1.880 6.950 24.456 1.880 13.009 possible 950 57 c BCL C3B 9 C4H2b 0.770 1.880 5.158 17.488 1.880 9.302 possible 951 57 c BCL C4B 9 C4H2b 0.770 1.880 5.099 15.637 1.880 8.317 possible 952 57 c BCL CMB 9 C4H2b 0.770 1.880 57.483 -1.000 1.880 -1.000 bad 953 57 c BCL CAB 9 C4H2b 0.770 1.880 12.732 -1.000 1.880 -1.000 bad 954 57 c BCL OBB 17 O2H1u 0.660 1.460 1.165 -1.000 1.460 -1.000 bad 955 57 c BCL CBB 9 C4H2b 0.770 1.880 44.946 -1.000 1.880 -1.000 bad 956 57 c BCL N C 14 N4H3u 0.700 1.640 2.640 12.689 1.640 7.737 [OK] 957 57 c BCL C1C 9 C4H2b 0.770 1.880 3.128 12.063 1.880 6.416 possible 958 57 c BCL C2C 9 C4H2b 0.770 1.880 2.661 12.683 1.880 6.746 [OK] 959 57 c BCL C3C 9 C4H2b 0.770 1.880 3.019 13.162 1.880 7.001 possible 960 57 c BCL C4C 9 C4H2b 0.770 1.880 2.747 10.602 1.880 5.639 [OK] 961 57 c BCL CMC 9 C4H2b 0.770 1.880 16.447 -1.000 1.880 -1.000 bad 962 57 c BCL CAC 9 C4H2b 0.770 1.880 3.207 27.713 1.880 14.741 possible 963 57 c BCL CBC 9 C4H2b 0.770 1.880 3.128 41.304 1.880 21.970 possible 964 57 c BCL N D 14 N4H3u 0.700 1.640 2.339 10.673 1.640 6.508 [OK] 965 57 c BCL C1D 9 C4H2b 0.770 1.880 2.747 10.752 1.880 5.719 [OK] 966 57 c BCL C2D 9 C4H2b 0.770 1.880 2.846 10.755 1.880 5.721 [OK] 967 57 c BCL C3D 9 C4H2b 0.770 1.880 2.480 10.587 1.880 5.631 [OK] 968 57 c BCL C4D 9 C4H2b 0.770 1.880 2.605 11.045 1.880 5.875 [OK] 969 57 c BCL CMD 9 C4H2b 0.770 1.880 3.287 34.774 1.880 18.497 possible 970 57 c BCL CAD 9 C4H2b 0.770 1.880 2.392 9.567 1.880 5.089 [OK] 971 57 c BCL OBD 17 O2H1u 0.660 1.460 2.719 18.061 1.460 12.371 [OK] 972 57 c BCL CBD 9 C4H2b 0.770 1.880 3.197 14.113 1.880 7.507 possible 973 57 c BCL CGD 9 C4H2b 0.770 1.880 2.408 9.525 1.880 5.066 [OK] 974 57 c BCL O1D 17 O2H1u 0.660 1.460 3.876 28.305 1.460 19.387 possible 975 57 c BCL O2D 17 O2H1u 0.660 1.460 2.421 13.260 1.460 9.083 [OK] 976 57 c BCL CED 9 C4H2b 0.770 1.880 5.057 73.329 1.880 39.005 possible 977 57 c BCL C1 9 C4H2b 0.770 1.880 3.148 21.347 1.880 11.355 possible 978 57 c BCL C2 9 C4H2b 0.770 1.880 3.222 20.334 1.880 10.816 possible 979 57 c BCL C3 9 C4H2b 0.770 1.880 3.152 12.108 1.880 6.440 possible 980 57 c BCL C4 9 C4H2b 0.770 1.880 3.031 34.563 1.880 18.384 possible 981 57 c BCL C5 9 C4H2b 0.770 1.880 4.337 28.116 1.880 14.955 possible 982 57 c BCL C6 9 C4H2b 0.770 1.880 4.205 24.065 1.880 12.800 possible 983 57 c BCL C7 9 C4H2b 0.770 1.880 21.944 -1.000 1.880 -1.000 bad 984 57 c BCL C8 9 C4H2b 0.770 1.880 10.706 -1.000 1.880 -1.000 bad 985 57 c BCL C9 9 C4H2b 0.770 1.880 20.836 -1.000 1.880 -1.000 bad 986 57 c BCL C10 9 C4H2b 0.770 1.880 5.261 42.694 1.880 22.710 possible 987 57 c BCL C11 9 C4H2b 0.770 1.880 7.412 51.032 1.880 27.145 possible 988 57 c BCL C12 9 C4H2b 0.770 1.880 4.610 40.325 1.880 21.450 possible 989 57 c BCL C13 9 C4H2b 0.770 1.880 7.475 44.677 1.880 23.764 possible 990 57 c BCL C14 9 C4H2b 0.770 1.880 6.619 56.609 1.880 30.111 possible 991 57 c BCL C15 9 C4H2b 0.770 1.880 12.099 -1.000 1.880 -1.000 bad 992 57 c BCL C16 9 C4H2b 0.770 1.880 24.636 -1.000 1.880 -1.000 bad 993 57 c BCL C17 9 C4H2b 0.770 1.880 23.329 -1.000 1.880 -1.000 bad 994 57 c BCL C18 9 C4H2b 0.770 1.880 3.809 16.656 1.880 8.860 possible 995 57 c BCL C19 9 C4H2b 0.770 1.880 60.001 -1.000 1.880 -1.000 bad 996 57 c BCL C20 9 C4H2b 0.770 1.880 58.035 -1.000 1.880 -1.000 bad 997 58 c BCL MG c 25 DEFAULT 0.770 1.800 2.938 16.112 1.800 8.951 [OK] 998 58 c BCL CHA 9 C4H2b 0.770 1.880 2.643 10.111 1.880 5.378 [OK] 999 58 c BCL CHB 9 C4H2b 0.770 1.880 4.657 27.901 1.880 14.841 possible 1000 58 c BCL CHC 9 C4H2b 0.770 1.880 2.972 16.457 1.880 8.754 [OK] 1001 58 c BCL CHD 9 C4H2b 0.770 1.880 2.867 22.053 1.880 11.730 [OK] 1002 58 c BCL N A 14 N4H3u 0.700 1.640 2.480 11.860 1.640 7.232 [OK] 1003 58 c BCL C1A 9 C4H2b 0.770 1.880 2.739 10.534 1.880 5.603 [OK] 1004 58 c BCL C2A 9 C4H2b 0.770 1.880 3.412 13.646 1.880 7.259 possible 1005 58 c BCL C3A 9 C4H2b 0.770 1.880 3.571 16.328 1.880 8.685 possible 1006 58 c BCL C4A 9 C4H2b 0.770 1.880 2.544 10.722 1.880 5.703 [OK] 1007 58 c BCL CMA 9 C4H2b 0.770 1.880 35.461 -1.000 1.880 -1.000 bad 1008 58 c BCL CAA 9 C4H2b 0.770 1.880 2.779 22.248 1.880 11.834 [OK] 1009 58 c BCL CBA 9 C4H2b 0.770 1.880 6.548 55.682 1.880 29.618 possible 1010 58 c BCL CGA 9 C4H2b 0.770 1.880 2.995 12.703 1.880 6.757 [OK] 1011 58 c BCL O1A 17 O2H1u 0.660 1.460 2.601 16.938 1.460 11.601 [OK] 1012 58 c BCL O2A 17 O2H1u 0.660 1.460 3.707 21.207 1.460 14.525 possible 1013 58 c BCL N B 14 N4H3u 0.700 1.640 2.814 12.066 1.640 7.357 [OK] 1014 58 c BCL C1B 9 C4H2b 0.770 1.880 2.762 11.911 1.880 6.335 [OK] 1015 58 c BCL C2B 9 C4H2b 0.770 1.880 2.880 11.615 1.880 6.178 [OK] 1016 58 c BCL C3B 9 C4H2b 0.770 1.880 2.824 10.221 1.880 5.437 [OK] 1017 58 c BCL C4B 9 C4H2b 0.770 1.880 2.948 10.780 1.880 5.734 [OK] 1018 58 c BCL CMB 9 C4H2b 0.770 1.880 7.087 101.445 1.880 53.960 possible 1019 58 c BCL CAB 9 C4H2b 0.770 1.880 2.540 11.512 1.880 6.123 [OK] 1020 58 c BCL OBB 17 O2H1u 0.660 1.460 2.241 11.946 1.460 8.182 [OK] 1021 58 c BCL CBB 9 C4H2b 0.770 1.880 6.673 60.088 1.880 31.961 possible 1022 58 c BCL N C 14 N4H3u 0.700 1.640 2.805 11.405 1.640 6.954 [OK] 1023 58 c BCL C1C 9 C4H2b 0.770 1.880 3.005 10.616 1.880 5.647 possible 1024 58 c BCL C2C 9 C4H2b 0.770 1.880 2.562 12.235 1.880 6.508 [OK] 1025 58 c BCL C3C 9 C4H2b 0.770 1.880 2.738 13.934 1.880 7.412 [OK] 1026 58 c BCL C4C 9 C4H2b 0.770 1.880 2.722 10.953 1.880 5.826 [OK] 1027 58 c BCL CMC 9 C4H2b 0.770 1.880 3.185 38.719 1.880 20.595 possible 1028 58 c BCL CAC 9 C4H2b 0.770 1.880 2.866 22.224 1.880 11.821 [OK] 1029 58 c BCL CBC 9 C4H2b 0.770 1.880 3.030 35.398 1.880 18.829 possible 1030 58 c BCL N D 14 N4H3u 0.700 1.640 2.395 10.854 1.640 6.619 [OK] 1031 58 c BCL C1D 9 C4H2b 0.770 1.880 2.566 10.436 1.880 5.551 [OK] 1032 58 c BCL C2D 9 C4H2b 0.770 1.880 2.475 10.073 1.880 5.358 [OK] 1033 58 c BCL C3D 9 C4H2b 0.770 1.880 2.663 11.983 1.880 6.374 [OK] 1034 58 c BCL C4D 9 C4H2b 0.770 1.880 2.415 10.212 1.880 5.432 [OK] 1035 58 c BCL CMD 9 C4H2b 0.770 1.880 3.008 32.494 1.880 17.284 possible 1036 58 c BCL CAD 9 C4H2b 0.770 1.880 2.810 11.614 1.880 6.178 [OK] 1037 58 c BCL OBD 17 O2H1u 0.660 1.460 2.647 17.644 1.460 12.085 [OK] 1038 58 c BCL CBD 9 C4H2b 0.770 1.880 2.768 14.430 1.880 7.676 [OK] 1039 58 c BCL CGD 9 C4H2b 0.770 1.880 2.654 10.031 1.880 5.336 [OK] 1040 58 c BCL O1D 17 O2H1u 0.660 1.460 4.571 24.013 1.460 16.447 possible 1041 58 c BCL O2D 17 O2H1u 0.660 1.460 3.585 18.271 1.460 12.514 possible 1042 58 c BCL CED 9 C4H2b 0.770 1.880 33.819 -1.000 1.880 -1.000 bad 1043 58 c BCL C1 9 C4H2b 0.770 1.880 19.510 -1.000 1.880 -1.000 bad 1044 58 c BCL C2 9 C4H2b 0.770 1.880 7.785 40.067 1.880 21.312 possible 1045 58 c BCL C3 9 C4H2b 0.770 1.880 3.284 -1.000 1.880 -1.000 bad 1046 58 c BCL C4 9 C4H2b 0.770 1.880 24.177 -1.000 1.880 -1.000 bad 1047 58 c BCL C5 9 C4H2b 0.770 1.880 5.105 -1.000 1.880 -1.000 bad 1048 58 c BCL C6 9 C4H2b 0.770 1.880 18.911 -1.000 1.880 -1.000 bad 1049 58 c BCL C7 9 C4H2b 0.770 1.880 6.498 37.945 1.880 20.184 possible 1050 58 c BCL C8 9 C4H2b 0.770 1.880 35.591 -1.000 1.880 -1.000 bad 1051 58 c BCL C9 9 C4H2b 0.770 1.880 23.218 -1.000 1.880 -1.000 bad 1052 59 c BCL MG c 25 DEFAULT 0.770 1.800 2.620 15.133 1.800 8.407 [OK] 1053 59 c BCL CHA 9 C4H2b 0.770 1.880 2.846 10.786 1.880 5.737 [OK] 1054 59 c BCL CHB 9 C4H2b 0.770 1.880 3.242 23.087 1.880 12.280 possible 1055 59 c BCL CHC 9 C4H2b 0.770 1.880 2.776 15.281 1.880 8.128 [OK] 1056 59 c BCL CHD 9 C4H2b 0.770 1.880 2.973 22.146 1.880 11.780 [OK] 1057 59 c BCL N A 14 N4H3u 0.700 1.640 2.570 11.033 1.640 6.728 [OK] 1058 59 c BCL C1A 9 C4H2b 0.770 1.880 3.017 11.726 1.880 6.237 possible 1059 59 c BCL C2A 9 C4H2b 0.770 1.880 2.788 12.460 1.880 6.627 [OK] 1060 59 c BCL C3A 9 C4H2b 0.770 1.880 2.982 14.150 1.880 7.527 [OK] 1061 59 c BCL C4A 9 C4H2b 0.770 1.880 2.740 11.036 1.880 5.870 [OK] 1062 59 c BCL CMA 9 C4H2b 0.770 1.880 3.310 40.934 1.880 21.773 possible 1063 59 c BCL CAA 9 C4H2b 0.770 1.880 3.175 25.148 1.880 13.376 possible 1064 59 c BCL CBA 9 C4H2b 0.770 1.880 2.981 24.076 1.880 12.806 [OK] 1065 59 c BCL CGA 9 C4H2b 0.770 1.880 2.643 10.168 1.880 5.408 [OK] 1066 59 c BCL O1A 17 O2H1u 0.660 1.460 2.502 17.122 1.460 11.728 [OK] 1067 59 c BCL O2A 17 O2H1u 0.660 1.460 2.588 14.105 1.460 9.661 [OK] 1068 59 c BCL N B 14 N4H3u 0.700 1.640 2.327 10.715 1.640 6.533 [OK] 1069 59 c BCL C1B 9 C4H2b 0.770 1.880 2.581 10.159 1.880 5.404 [OK] 1070 59 c BCL C2B 9 C4H2b 0.770 1.880 2.484 10.886 1.880 5.791 [OK] 1071 59 c BCL C3B 9 C4H2b 0.770 1.880 2.644 10.981 1.880 5.841 [OK] 1072 59 c BCL C4B 9 C4H2b 0.770 1.880 2.740 10.445 1.880 5.556 [OK] 1073 59 c BCL CMB 9 C4H2b 0.770 1.880 5.327 55.211 1.880 29.368 possible 1074 59 c BCL CAB 9 C4H2b 0.770 1.880 3.877 14.950 1.880 7.952 possible 1075 59 c BCL OBB 17 O2H1u 0.660 1.460 2.548 13.578 1.460 9.300 [OK] 1076 59 c BCL CBB 9 C4H2b 0.770 1.880 4.176 41.622 1.880 22.139 possible 1077 59 c BCL N C 14 N4H3u 0.700 1.640 2.801 12.150 1.640 7.408 [OK] 1078 59 c BCL C1C 9 C4H2b 0.770 1.880 2.796 11.314 1.880 6.018 [OK] 1079 59 c BCL C2C 9 C4H2b 0.770 1.880 2.551 12.488 1.880 6.643 [OK] 1080 59 c BCL C3C 9 C4H2b 0.770 1.880 2.928 13.990 1.880 7.441 [OK] 1081 59 c BCL C4C 9 C4H2b 0.770 1.880 2.972 11.677 1.880 6.211 [OK] 1082 59 c BCL CMC 9 C4H2b 0.770 1.880 2.964 33.708 1.880 17.930 [OK] 1083 59 c BCL CAC 9 C4H2b 0.770 1.880 3.283 27.583 1.880 14.672 possible 1084 59 c BCL CBC 9 C4H2b 0.770 1.880 2.944 38.162 1.880 20.299 [OK] 1085 59 c BCL N D 14 N4H3u 0.700 1.640 2.564 10.662 1.640 6.501 [OK] 1086 59 c BCL C1D 9 C4H2b 0.770 1.880 2.485 9.643 1.880 5.129 [OK] 1087 59 c BCL C2D 9 C4H2b 0.770 1.880 2.728 10.157 1.880 5.402 [OK] 1088 59 c BCL C3D 9 C4H2b 0.770 1.880 2.854 11.504 1.880 6.119 [OK] 1089 59 c BCL C4D 9 C4H2b 0.770 1.880 2.840 11.396 1.880 6.062 [OK] 1090 59 c BCL CMD 9 C4H2b 0.770 1.880 3.274 34.341 1.880 18.267 possible 1091 59 c BCL CAD 9 C4H2b 0.770 1.880 2.715 10.202 1.880 5.426 [OK] 1092 59 c BCL OBD 17 O2H1u 0.660 1.460 2.683 17.857 1.460 12.231 [OK] 1093 59 c BCL CBD 9 C4H2b 0.770 1.880 3.156 14.618 1.880 7.775 possible 1094 59 c BCL CGD 9 C4H2b 0.770 1.880 2.394 9.717 1.880 5.168 [OK] 1095 59 c BCL O1D 17 O2H1u 0.660 1.460 2.786 19.783 1.460 13.550 [OK] 1096 59 c BCL O2D 17 O2H1u 0.660 1.460 2.731 17.161 1.460 11.754 [OK] 1097 59 c BCL CED 9 C4H2b 0.770 1.880 3.021 37.722 1.880 20.065 possible 1098 59 c BCL C1 9 C4H2b 0.770 1.880 2.969 23.452 1.880 12.475 [OK] 1099 59 c BCL C2 9 C4H2b 0.770 1.880 3.159 23.886 1.880 12.705 possible 1100 59 c BCL C3 9 C4H2b 0.770 1.880 3.078 11.676 1.880 6.211 possible 1101 59 c BCL C4 9 C4H2b 0.770 1.880 3.517 45.186 1.880 24.035 possible 1102 59 c BCL C5 9 C4H2b 0.770 1.880 2.994 20.327 1.880 10.812 [OK] 1103 59 c BCL C6 9 C4H2b 0.770 1.880 3.329 23.255 1.880 12.370 possible 1104 59 c BCL C7 9 C4H2b 0.770 1.880 3.328 24.628 1.880 13.100 possible 1105 59 c BCL C8 9 C4H2b 0.770 1.880 3.517 15.805 1.880 8.407 possible 1106 59 c BCL C9 9 C4H2b 0.770 1.880 3.030 33.682 1.880 17.916 possible 1107 59 c BCL C10 9 C4H2b 0.770 1.880 3.002 24.457 1.880 13.009 possible 1108 59 c BCL C11 9 C4H2b 0.770 1.880 2.740 20.586 1.880 10.950 [OK] 1109 59 c BCL C12 9 C4H2b 0.770 1.880 3.505 27.213 1.880 14.475 possible 1110 59 c BCL C13 9 C4H2b 0.770 1.880 2.888 15.156 1.880 8.062 [OK] 1111 59 c BCL C14 9 C4H2b 0.770 1.880 3.412 43.373 1.880 23.070 possible 1112 59 c BCL C15 9 C4H2b 0.770 1.880 3.370 26.998 1.880 14.361 possible 1113 59 c BCL C16 9 C4H2b 0.770 1.880 3.517 24.549 1.880 13.058 possible 1114 59 c BCL C17 9 C4H2b 0.770 1.880 3.482 25.098 1.880 13.350 possible 1115 59 c BCL C18 9 C4H2b 0.770 1.880 3.387 19.980 1.880 10.628 possible 1116 59 c BCL C19 9 C4H2b 0.770 1.880 3.459 35.996 1.880 19.147 possible 1117 59 c BCL C20 9 C4H2b 0.770 1.880 3.621 43.061 1.880 22.905 possible 1118 97 c LYC C1 9 C4H2b 0.770 1.880 66.138 -1.000 1.880 -1.000 bad 1119 97 c LYC C2 9 C4H2b 0.770 1.880 4.748 -1.000 1.880 -1.000 bad 1120 97 c LYC C3 9 C4H2b 0.770 1.880 17.299 -1.000 1.880 -1.000 bad 1121 97 c LYC C4 9 C4H2b 0.770 1.880 15.176 -1.000 1.880 -1.000 bad 1122 97 c LYC C5 9 C4H2b 0.770 1.880 5.216 35.700 1.880 18.989 possible 1123 97 c LYC C6 9 C4H2b 0.770 1.880 4.579 25.254 1.880 13.433 possible 1124 97 c LYC C7 9 C4H2b 0.770 1.880 6.018 22.154 1.880 11.784 possible 1125 97 c LYC C8 9 C4H2b 0.770 1.880 47.610 -1.000 1.880 -1.000 bad 1126 97 c LYC C9 9 C4H2b 0.770 1.880 4.401 26.982 1.880 14.352 possible 1127 97 c LYC C10 9 C4H2b 0.770 1.880 5.148 33.861 1.880 18.011 possible 1128 97 c LYC C11 9 C4H2b 0.770 1.880 3.170 23.485 1.880 12.492 possible 1129 97 c LYC C12 9 C4H2b 0.770 1.880 2.920 12.148 1.880 6.462 [OK] 1130 97 c LYC C13 9 C4H2b 0.770 1.880 20.194 -1.000 1.880 -1.000 bad 1131 97 c LYC C14 9 C4H2b 0.770 1.880 2.898 20.935 1.880 11.135 [OK] 1132 97 c LYC C15 9 C4H2b 0.770 1.880 3.041 20.767 1.880 11.046 possible 1133 97 c LYC C16 9 C4H2b 0.770 1.880 2.836 21.482 1.880 11.427 [OK] 1134 97 c LYC C17 9 C4H2b 0.770 1.880 2.618 11.391 1.880 6.059 [OK] 1135 97 c LYC C18 9 C4H2b 0.770 1.880 3.094 38.733 1.880 20.602 possible 1136 97 c LYC C19 9 C4H2b 0.770 1.880 2.771 20.172 1.880 10.730 [OK] 1137 97 c LYC C20 9 C4H2b 0.770 1.880 2.866 19.773 1.880 10.518 [OK] 1138 97 c LYC C21 9 C4H2b 0.770 1.880 3.056 20.239 1.880 10.766 possible 1139 97 c LYC C50 9 C4H2b 0.770 1.880 3.016 22.605 1.880 12.024 possible 1140 97 c LYC C51 9 C4H2b 0.770 1.880 2.960 12.974 1.880 6.901 [OK] 1141 97 c LYC C52 9 C4H2b 0.770 1.880 3.496 43.724 1.880 23.258 possible 1142 97 c LYC C53 9 C4H2b 0.770 1.880 3.047 22.157 1.880 11.786 possible 1143 97 c LYC C54 9 C4H2b 0.770 1.880 3.332 26.476 1.880 14.083 possible 1144 97 c LYC C55 9 C4H2b 0.770 1.880 2.930 22.773 1.880 12.113 [OK] 1145 97 c LYC C56 9 C4H2b 0.770 1.880 3.076 12.099 1.880 6.436 possible 1146 97 c LYC C57 9 C4H2b 0.770 1.880 3.290 42.658 1.880 22.690 possible 1147 97 c LYC C58 9 C4H2b 0.770 1.880 2.974 23.962 1.880 12.746 [OK] 1148 97 c LYC C59 9 C4H2b 0.770 1.880 2.792 19.778 1.880 10.520 [OK] 1149 97 c LYC C60 9 C4H2b 0.770 1.880 3.277 23.106 1.880 12.290 possible 1150 97 c LYC C61 9 C4H2b 0.770 1.880 2.904 11.712 1.880 6.230 [OK] 1151 97 c LYC C62 9 C4H2b 0.770 1.880 2.829 32.601 1.880 17.341 [OK] 1152 97 c LYC C63 9 C4H2b 0.770 1.880 2.870 19.681 1.880 10.469 [OK] 1153 97 c LYC C64 9 C4H2b 0.770 1.880 3.279 26.398 1.880 14.042 possible 1154 97 c LYC C65 9 C4H2b 0.770 1.880 2.851 19.330 1.880 10.282 [OK] 1155 97 c LYC C66 9 C4H2b 0.770 1.880 2.770 10.772 1.880 5.730 [OK] 1156 97 c LYC C67 9 C4H2b 0.770 1.880 3.244 40.399 1.880 21.489 possible 1157 97 c LYC C68 9 C4H2b 0.770 1.880 3.149 44.598 1.880 23.722 possible 1214 75 c DET N 14 N4H3u 0.700 1.640 2.108 4.674 1.640 2.850 [OK] 1215 75 c DET O 17 O2H1u 0.660 1.460 2.410 18.475 1.460 12.654 [OK] 1216 75 c DET CM1 9 C4H2b 0.770 1.880 17.408 -1.000 1.880 -1.000 bad 1217 75 c DET CM2 9 C4H2b 0.770 1.880 21.359 -1.000 1.880 -1.000 bad 1218 75 c DET C1 9 C4H2b 0.770 1.880 8.391 -1.000 1.880 -1.000 bad 1219 75 c DET C2 9 C4H2b 0.770 1.880 6.103 -1.000 1.880 -1.000 bad 1220 75 c DET C3 9 C4H2b 0.770 1.880 12.455 -1.000 1.880 -1.000 bad 1221 75 c DET C4 9 C4H2b 0.770 1.880 8.524 -1.000 1.880 -1.000 bad 1222 75 c DET C5 9 C4H2b 0.770 1.880 23.442 -1.000 1.880 -1.000 bad 1223 75 c DET C6 9 C4H2b 0.770 1.880 3.197 27.891 1.880 14.836 possible 1224 75 c DET C7 9 C4H2b 0.770 1.880 18.212 -1.000 1.880 -1.000 bad 1225 75 c DET C8 9 C4H2b 0.770 1.880 3.596 26.484 1.880 14.087 possible 1226 75 c DET C9 9 C4H2b 0.770 1.880 8.225 -1.000 1.880 -1.000 bad 1227 75 c DET C10 9 C4H2b 0.770 1.880 6.751 -1.000 1.880 -1.000 bad 1228 75 c DET C11 9 C4H2b 0.770 1.880 23.864 -1.000 1.880 -1.000 bad 1229 77 c DET N 14 N4H3u 0.700 1.640 2.182 4.847 1.640 2.955 [OK] 1230 77 c DET O 17 O2H1u 0.660 1.460 16.047 -1.000 1.460 -1.000 bad 1231 77 c DET CM1 9 C4H2b 0.770 1.880 5.825 94.248 1.880 50.132 possible 1232 77 c DET CM2 9 C4H2b 0.770 1.880 53.960 -1.000 1.880 -1.000 bad 1233 77 c DET C1 9 C4H2b 0.770 1.880 4.956 34.240 1.880 18.213 possible 1234 77 c DET C2 9 C4H2b 0.770 1.880 4.878 32.431 1.880 17.251 possible 1235 77 c DET C3 9 C4H2b 0.770 1.880 4.234 30.245 1.880 16.088 possible 1236 77 c DET C4 9 C4H2b 0.770 1.880 15.280 -1.000 1.880 -1.000 bad 1237 77 c DET C5 9 C4H2b 0.770 1.880 3.205 23.399 1.880 12.446 possible 1238 77 c DET C6 9 C4H2b 0.770 1.880 12.389 -1.000 1.880 -1.000 bad 1239 77 c DET C7 9 C4H2b 0.770 1.880 2.928 21.335 1.880 11.349 [OK] 1240 77 c DET C8 9 C4H2b 0.770 1.880 4.194 29.029 1.880 15.441 possible 1241 77 c DET C9 9 C4H2b 0.770 1.880 13.009 -1.000 1.880 -1.000 bad 1242 77 c DET C10 9 C4H2b 0.770 1.880 6.249 45.234 1.880 24.060 possible 1243 77 c DET C11 9 C4H2b 0.770 1.880 32.661 -1.000 1.880 -1.000 bad 1244 78 c DET N 14 N4H3u 0.700 1.640 2.165 4.789 1.640 2.920 [OK] 1245 78 c DET O 17 O2H1u 0.660 1.460 16.078 -1.000 1.460 -1.000 bad 1246 78 c DET CM1 9 C4H2b 0.770 1.880 2.782 26.127 1.880 13.897 [OK] 1247 78 c DET CM2 9 C4H2b 0.770 1.880 7.428 54.462 1.880 28.969 possible 1248 78 c DET C1 9 C4H2b 0.770 1.880 18.600 -1.000 1.880 -1.000 bad 1249 78 c DET C2 9 C4H2b 0.770 1.880 2.770 17.570 1.880 9.346 [OK] 1250 78 c DET C3 9 C4H2b 0.770 1.880 22.019 -1.000 1.880 -1.000 bad 1251 78 c DET C4 9 C4H2b 0.770 1.880 23.553 -1.000 1.880 -1.000 bad 1252 78 c DET C5 9 C4H2b 0.770 1.880 3.490 22.921 1.880 12.192 possible 1253 78 c DET C6 9 C4H2b 0.770 1.880 5.591 42.441 1.880 22.575 possible 1254 78 c DET C7 9 C4H2b 0.770 1.880 3.192 24.099 1.880 12.819 possible 1255 78 c DET C8 9 C4H2b 0.770 1.880 3.856 30.315 1.880 16.125 possible 1256 78 c DET C9 9 C4H2b 0.770 1.880 3.230 29.745 1.880 15.822 possible 1257 78 c DET C10 9 C4H2b 0.770 1.880 3.071 31.353 1.880 16.677 possible 1258 78 c DET C11 9 C4H2b 0.770 1.880 3.134 34.687 1.880 18.451 possible 1259 61 c HTO C1 9 C4H2b 0.770 1.880 3.097 23.601 1.880 12.554 possible 1260 61 c HTO O1 17 O2H1u 0.660 1.460 2.676 22.851 1.460 15.651 [OK] 1261 61 c HTO C2 9 C4H2b 0.770 1.880 3.344 15.506 1.880 8.248 possible 1262 61 c HTO O2 17 O2H1u 0.660 1.460 6.619 44.915 1.460 30.764 possible 1263 61 c HTO C3 9 C4H2b 0.770 1.880 2.810 15.189 1.880 8.079 [OK] 1264 61 c HTO O3 17 O2H1u 0.660 1.460 7.752 59.761 1.460 40.932 possible 1265 61 c HTO C4 9 C4H2b 0.770 1.880 2.746 18.251 1.880 9.708 [OK] 1266 61 c HTO C5 9 C4H2b 0.770 1.880 3.045 23.598 1.880 12.552 possible 1267 61 c HTO C6 9 C4H2b 0.770 1.880 3.284 31.122 1.880 16.554 possible 1268 61 c HTO C7 9 C4H2b 0.770 1.880 3.210 38.596 1.880 20.530 possible 1269 62 c HTO C1 9 C4H2b 0.770 1.880 11.757 -1.000 1.880 -1.000 bad 1270 62 c HTO O1 17 O2H1u 0.660 1.460 21.186 -1.000 1.460 -1.000 bad 1271 62 c HTO C2 9 C4H2b 0.770 1.880 15.180 -1.000 1.880 -1.000 bad 1272 62 c HTO O2 17 O2H1u 0.660 1.460 7.299 51.257 1.460 35.108 possible 1273 62 c HTO C3 9 C4H2b 0.770 1.880 7.802 20.889 1.880 11.111 possible 1274 62 c HTO O3 17 O2H1u 0.660 1.460 2.531 20.768 1.460 14.225 [OK] 1275 62 c HTO C4 9 C4H2b 0.770 1.880 15.661 -1.000 1.880 -1.000 bad 1276 62 c HTO C5 9 C4H2b 0.770 1.880 14.634 -1.000 1.880 -1.000 bad 1277 62 c HTO C6 9 C4H2b 0.770 1.880 24.211 -1.000 1.880 -1.000 bad 1278 62 c HTO C7 9 C4H2b 0.770 1.880 34.413 -1.000 1.880 -1.000 bad 1279 63 c HTO C1 9 C4H2b 0.770 1.880 3.584 24.563 1.880 13.065 possible 1280 63 c HTO O1 17 O2H1u 0.660 1.460 2.546 18.430 1.460 12.623 [OK] 1281 63 c HTO C2 9 C4H2b 0.770 1.880 3.415 14.878 1.880 7.914 possible 1282 63 c HTO O2 17 O2H1u 0.660 1.460 26.291 -1.000 1.460 -1.000 bad 1283 63 c HTO C3 9 C4H2b 0.770 1.880 2.782 14.518 1.880 7.722 [OK] 1284 63 c HTO O3 17 O2H1u 0.660 1.460 6.303 48.501 1.460 33.220 possible 1285 63 c HTO C4 9 C4H2b 0.770 1.880 3.050 20.989 1.880 11.164 possible 1286 63 c HTO C5 9 C4H2b 0.770 1.880 13.854 -1.000 1.880 -1.000 bad 1287 63 c HTO C6 9 C4H2b 0.770 1.880 30.153 -1.000 1.880 -1.000 bad 1288 63 c HTO C7 9 C4H2b 0.770 1.880 37.256 -1.000 1.880 -1.000 bad 1289 64 c HTO C1 9 C4H2b 0.770 1.880 15.576 -1.000 1.880 -1.000 bad 1290 64 c HTO O1 17 O2H1u 0.660 1.460 13.794 -1.000 1.460 -1.000 bad 1291 64 c HTO C2 9 C4H2b 0.770 1.880 2.987 13.955 1.880 7.423 [OK] 1292 64 c HTO O2 17 O2H1u 0.660 1.460 2.612 18.590 1.460 12.733 [OK] 1293 64 c HTO C3 9 C4H2b 0.770 1.880 2.931 12.357 1.880 6.573 [OK] 1294 64 c HTO O3 17 O2H1u 0.660 1.460 2.470 12.819 1.460 8.780 [OK] 1295 64 c HTO C4 9 C4H2b 0.770 1.880 19.158 -1.000 1.880 -1.000 bad 1296 64 c HTO C5 9 C4H2b 0.770 1.880 10.316 -1.000 1.880 -1.000 bad 1297 64 c HTO C6 9 C4H2b 0.770 1.880 5.552 36.091 1.880 19.197 possible 1298 64 c HTO C7 9 C4H2b 0.770 1.880 53.304 -1.000 1.880 -1.000 bad 1299 65 c HTO C1 9 C4H2b 0.770 1.880 4.351 30.203 1.880 16.065 possible 1300 65 c HTO O1 17 O2H1u 0.660 1.460 6.820 83.827 1.460 57.416 possible 1301 65 c HTO C2 9 C4H2b 0.770 1.880 6.261 25.522 1.880 13.575 possible 1302 65 c HTO O2 17 O2H1u 0.660 1.460 25.342 -1.000 1.460 -1.000 bad 1303 65 c HTO C3 9 C4H2b 0.770 1.880 7.450 25.113 1.880 13.358 possible 1304 65 c HTO O3 17 O2H1u 0.660 1.460 3.487 23.720 1.460 16.247 possible 1305 65 c HTO C4 9 C4H2b 0.770 1.880 3.814 24.374 1.880 12.965 possible 1306 65 c HTO C5 9 C4H2b 0.770 1.880 3.089 25.180 1.880 13.394 possible 1307 65 c HTO C6 9 C4H2b 0.770 1.880 23.120 -1.000 1.880 -1.000 bad 1308 65 c HTO C7 9 C4H2b 0.770 1.880 20.980 -1.000 1.880 -1.000 bad 1309 66 c HTO C1 9 C4H2b 0.770 1.880 16.282 -1.000 1.880 -1.000 bad 1310 66 c HTO O1 17 O2H1u 0.660 1.460 19.645 -1.000 1.460 -1.000 bad 1311 66 c HTO C2 9 C4H2b 0.770 1.880 4.873 22.055 1.880 11.731 possible 1312 66 c HTO O2 17 O2H1u 0.660 1.460 2.522 18.261 1.460 12.508 [OK] 1313 66 c HTO C3 9 C4H2b 0.770 1.880 3.293 13.695 1.880 7.284 possible 1314 66 c HTO O3 17 O2H1u 0.660 1.460 29.874 -1.000 1.460 -1.000 bad 1315 66 c HTO C4 9 C4H2b 0.770 1.880 3.416 21.970 1.880 11.686 possible 1316 66 c HTO C5 9 C4H2b 0.770 1.880 25.742 -1.000 1.880 -1.000 bad 1317 66 c HTO C6 9 C4H2b 0.770 1.880 25.619 -1.000 1.880 -1.000 bad 1318 66 c HTO C7 9 C4H2b 0.770 1.880 12.582 -1.000 1.880 -1.000 bad 1319 1 c HOH O 18 O2H2u 0.660 1.460 50.844 -1.000 1.460 -1.000 bad 1320 6 c HOH O 18 O2H2u 0.660 1.460 3.654 29.687 1.460 20.334 possible 1323 11 c HOH O 18 O2H2u 0.660 1.460 2.689 27.607 1.460 18.909 [OK] 1326 12 c HOH O 18 O2H2u 0.660 1.460 6.654 58.955 1.460 40.380 possible 1329 23 c HOH O 18 O2H2u 0.660 1.460 3.888 39.453 1.460 27.022 possible 1332 36 c HOH O 18 O2H2u 0.660 1.460 26.777 -1.000 1.460 -1.000 bad 1335 44 c HOH O 18 O2H2u 0.660 1.460 45.253 -1.000 1.460 -1.000 bad 1338 102 c HOH O 18 O2H2u 0.660 1.460 4.527 38.991 1.460 26.706 possible 1341 104 c HOH O 18 O2H2u 0.660 1.460 26.901 -1.000 1.460 -1.000 bad 1344 105 c HOH O 18 O2H2u 0.660 1.460 37.209 -1.000 1.460 -1.000 bad 1347 112 c HOH O 18 O2H2u 0.660 1.460 7.895 74.855 1.460 51.270 possible 1350 118 c HOH O 18 O2H2u 0.660 1.460 26.027 -1.000 1.460 -1.000 bad 1353 119 c HOH O 18 O2H2u 0.660 1.460 41.913 -1.000 1.460 -1.000 bad 1356 120 c HOH O 18 O2H2u 0.660 1.460 32.663 -1.000 1.460 -1.000 bad 1359 121 c HOH O 18 O2H2u 0.660 1.460 57.655 -1.000 1.460 -1.000 bad 1362 122 c HOH O 18 O2H2u 0.660 1.460 45.544 -1.000 1.460 -1.000 bad 1365 1 D SER N 12 N3H1s 0.700 1.640 23.605 -1.000 13.808 -1.000 bad 1366 1 D SER CA 3 C4H1s 0.770 1.880 14.270 -1.000 13.351 -1.000 bad 1367 1 D SER C 1 C3H0s 0.770 1.610 3.190 10.150 8.858 1.146 possible 1368 1 D SER O 16 O1H0u 0.660 1.420 3.044 13.691 15.860 0.863 possible 1369 1 D SER CB 8 C4H2s 0.770 1.880 22.175 -1.000 23.599 -1.000 bad 1370 1 D SER OG 17 O2H1u 0.660 1.460 30.518 -1.000 18.021 -1.000 bad 1375 2 D ASN N 12 N3H1s 0.700 1.640 6.075 21.872 13.525 1.617 possible 1376 2 D ASN CA 3 C4H1s 0.770 1.880 2.804 12.409 13.052 0.951 [OK] 1377 2 D ASN C 1 C3H0s 0.770 1.610 2.625 9.452 8.853 1.068 [OK] 1378 2 D ASN O 16 O1H0u 0.660 1.420 26.352 -1.000 15.857 -1.000 bad 1379 2 D ASN CB 8 C4H2s 0.770 1.880 3.797 22.081 22.756 0.970 possible 1380 2 D ASN CG 2 C3H0b 0.770 1.610 2.668 8.859 9.537 0.929 [OK] 1381 2 D ASN OD1 16 O1H0u 0.660 1.420 20.898 -1.000 16.247 -1.000 bad 1382 2 D ASN ND2 15 N3H2u 0.700 1.640 6.737 42.547 22.525 1.889 possible 1386 3 D PRO N 11 N3H0u 0.700 1.640 3.029 8.800 8.650 1.017 possible 1387 3 D PRO CA 4 C4H1b 0.770 1.880 2.522 11.358 13.828 0.821 [OK] 1388 3 D PRO C 1 C3H0s 0.770 1.610 3.622 9.754 8.768 1.112 possible 1389 3 D PRO O 16 O1H0u 0.660 1.420 4.063 24.032 15.856 1.516 possible 1390 3 D PRO CB 9 C4H2b 0.770 1.880 4.050 26.206 25.314 1.035 possible 1391 3 D PRO CG 9 C4H2b 0.770 1.880 28.191 -1.000 25.480 -1.000 bad 1392 3 D PRO CD 8 C4H2s 0.770 1.880 27.466 -1.000 23.390 -1.000 bad 1393 4 D LYS N 12 N3H1s 0.700 1.640 4.313 19.871 13.429 1.480 possible 1394 4 D LYS CA 3 C4H1s 0.770 1.880 9.257 -1.000 13.217 -1.000 bad 1395 4 D LYS C 1 C3H0s 0.770 1.610 2.351 7.734 8.696 0.889 [OK] 1396 4 D LYS O 16 O1H0u 0.660 1.420 2.996 22.318 15.818 1.411 [OK] 1397 4 D LYS CB 8 C4H2s 0.770 1.880 14.849 -1.000 22.578 -1.000 bad 1398 4 D LYS CG 8 C4H2s 0.770 1.880 16.745 -1.000 22.847 -1.000 bad 1399 4 D LYS CD 8 C4H2s 0.770 1.880 34.906 -1.000 23.365 -1.000 bad 1400 4 D LYS CE 9 C4H2b 0.770 1.880 4.354 21.337 23.720 0.900 possible 1401 4 D LYS NZ 14 N4H3u 0.700 1.640 42.330 -1.000 21.413 -1.000 bad 1406 5 D ASP N 12 N3H1s 0.700 1.640 2.639 12.437 13.654 0.911 [OK] 1407 5 D ASP CA 3 C4H1s 0.770 1.880 2.678 13.545 13.254 1.022 [OK] 1408 5 D ASP C 1 C3H0s 0.770 1.610 2.588 10.294 8.750 1.176 [OK] 1409 5 D ASP O 16 O1H0u 0.660 1.420 4.766 25.873 15.757 1.642 possible 1410 5 D ASP CB 8 C4H2s 0.770 1.880 5.804 36.859 23.022 1.601 possible 1411 5 D ASP CG 2 C3H0b 0.770 1.610 2.775 9.278 9.336 0.994 [OK] 1412 5 D ASP OD1 16 O1H0u 0.660 1.420 5.117 31.941 15.078 2.118 possible 1413 5 D ASP OD2 16 O1H0u 0.660 1.420 15.093 -1.000 15.582 -1.000 bad 1415 6 D ASP N 12 N3H1s 0.700 1.640 2.838 14.176 13.654 1.038 [OK] 1416 6 D ASP CA 3 C4H1s 0.770 1.880 2.661 13.123 13.254 0.990 [OK] 1417 6 D ASP C 1 C3H0s 0.770 1.610 2.085 8.141 8.750 0.930 [OK] 1418 6 D ASP O 16 O1H0u 0.660 1.420 2.673 17.404 15.757 1.105 [OK] 1419 6 D ASP CB 8 C4H2s 0.770 1.880 3.149 21.426 23.022 0.931 possible 1420 6 D ASP CG 2 C3H0b 0.770 1.610 2.260 8.527 9.336 0.913 [OK] 1421 6 D ASP OD1 16 O1H0u 0.660 1.420 2.374 13.791 15.078 0.915 [OK] 1422 6 D ASP OD2 16 O1H0u 0.660 1.420 2.141 12.205 15.582 0.783 [OK] 1424 7 D TYR N 12 N3H1s 0.700 1.640 3.002 16.051 13.473 1.191 possible 1425 7 D TYR CA 3 C4H1s 0.770 1.880 2.659 12.914 13.249 0.975 [OK] 1426 7 D TYR C 1 C3H0s 0.770 1.610 2.361 7.620 8.714 0.874 [OK] 1427 7 D TYR O 16 O1H0u 0.660 1.420 2.346 15.958 15.901 1.004 [OK] 1428 7 D TYR CB 8 C4H2s 0.770 1.880 2.742 23.324 23.426 0.996 [OK] 1429 7 D TYR CG 2 C3H0b 0.770 1.610 2.386 8.811 9.695 0.909 [OK] 1430 7 D TYR CD1 5 C3H1s 0.770 1.760 2.763 18.210 20.057 0.908 [OK] 1431 7 D TYR CD2 5 C3H1s 0.770 1.760 2.618 16.871 20.578 0.820 [OK] 1432 7 D TYR CE1 5 C3H1s 0.770 1.760 3.654 24.915 20.534 1.213 possible 1433 7 D TYR CE2 5 C3H1s 0.770 1.760 2.722 19.991 20.577 0.972 [OK] 1434 7 D TYR CZ 2 C3H0b 0.770 1.610 2.569 9.689 9.888 0.980 [OK] 1435 7 D TYR OH 17 O2H1u 0.660 1.460 6.062 35.379 18.541 1.908 possible 1438 8 D LYS N 12 N3H1s 0.700 1.640 2.494 12.767 13.429 0.951 [OK] 1439 8 D LYS CA 3 C4H1s 0.770 1.880 2.734 13.006 13.217 0.984 [OK] 1440 8 D LYS C 1 C3H0s 0.770 1.610 4.016 9.327 8.696 1.073 possible 1441 8 D LYS O 16 O1H0u 0.660 1.420 3.890 20.346 15.818 1.286 possible 1442 8 D LYS CB 8 C4H2s 0.770 1.880 6.165 44.915 22.578 1.989 possible 1443 8 D LYS CG 8 C4H2s 0.770 1.880 2.925 22.041 22.847 0.965 [OK] 1444 8 D LYS CD 8 C4H2s 0.770 1.880 23.695 -1.000 23.365 -1.000 bad 1445 8 D LYS CE 9 C4H2b 0.770 1.880 32.497 -1.000 23.720 -1.000 bad 1446 8 D LYS NZ 14 N4H3u 0.700 1.640 12.685 -1.000 21.413 -1.000 bad 1451 9 D ILE N 12 N3H1s 0.700 1.640 4.169 16.780 13.493 1.244 possible 1452 9 D ILE CA 3 C4H1s 0.770 1.880 4.425 15.715 12.946 1.214 possible 1453 9 D ILE C 1 C3H0s 0.770 1.610 2.501 8.044 8.445 0.953 [OK] 1454 9 D ILE O 16 O1H0u 0.660 1.420 2.344 14.435 15.930 0.906 [OK] 1455 9 D ILE CB 4 C4H1b 0.770 1.880 2.966 14.844 14.146 1.049 [OK] 1456 9 D ILE CG1 9 C4H2b 0.770 1.880 3.876 27.790 24.071 1.154 possible 1457 9 D ILE CG2 10 C4H3u 0.770 1.880 3.051 34.417 35.763 0.962 possible 1458 9 D ILE CD1 10 C4H3u 0.770 1.880 29.440 -1.000 38.219 -1.000 bad 1460 10 D TRP N 12 N3H1s 0.700 1.640 2.410 11.760 13.639 0.862 [OK] 1461 10 D TRP CA 3 C4H1s 0.770 1.880 2.560 12.197 13.323 0.915 [OK] 1462 10 D TRP C 1 C3H0s 0.770 1.610 2.377 9.507 8.687 1.094 [OK] 1463 10 D TRP O 16 O1H0u 0.660 1.420 2.372 16.116 15.797 1.020 [OK] 1464 10 D TRP CB 8 C4H2s 0.770 1.880 2.946 25.330 23.826 1.063 [OK] 1465 10 D TRP CG 2 C3H0b 0.770 1.610 2.613 9.648 9.915 0.973 [OK] 1466 10 D TRP CD1 5 C3H1s 0.770 1.760 2.640 19.351 20.597 0.939 [OK] 1467 10 D TRP CD2 2 C3H0b 0.770 1.610 2.498 9.740 10.068 0.967 [OK] 1468 10 D TRP NE1 13 N3H1b 0.700 1.640 2.627 15.824 16.723 0.946 [OK] 1469 10 D TRP CE2 2 C3H0b 0.770 1.610 2.602 9.440 9.848 0.959 [OK] 1470 10 D TRP CE3 6 C3H1b 0.770 1.760 2.645 18.854 20.383 0.925 [OK] 1471 10 D TRP CZ2 6 C3H1b 0.770 1.760 3.011 21.637 20.931 1.034 possible 1472 10 D TRP CZ3 6 C3H1b 0.770 1.760 3.184 27.254 21.429 1.272 possible 1473 10 D TRP CH2 6 C3H1b 0.770 1.760 3.286 30.620 21.219 1.443 possible 1476 11 D LEU N 12 N3H1s 0.700 1.640 2.564 12.079 13.517 0.894 [OK] 1477 11 D LEU CA 3 C4H1s 0.770 1.880 2.667 12.436 13.055 0.953 [OK] 1478 11 D LEU C 1 C3H0s 0.770 1.610 3.013 8.978 8.781 1.022 possible 1479 11 D LEU O 16 O1H0u 0.660 1.420 3.652 17.392 15.957 1.090 possible 1480 11 D LEU CB 8 C4H2s 0.770 1.880 5.727 40.852 22.818 1.790 possible 1481 11 D LEU CG 4 C4H1b 0.770 1.880 2.801 14.202 14.704 0.966 [OK] 1482 11 D LEU CD1 10 C4H3u 0.770 1.880 16.599 -1.000 37.235 -1.000 bad 1483 11 D LEU CD2 10 C4H3u 0.770 1.880 4.218 39.936 37.020 1.079 possible 1485 12 D VAL N 12 N3H1s 0.700 1.640 2.443 12.227 13.553 0.902 [OK] 1486 12 D VAL CA 3 C4H1s 0.770 1.880 2.854 12.619 13.078 0.965 [OK] 1487 12 D VAL C 1 C3H0s 0.770 1.610 2.149 8.029 8.528 0.942 [OK] 1488 12 D VAL O 16 O1H0u 0.660 1.420 6.401 40.832 15.998 2.552 possible 1489 12 D VAL CB 4 C4H1b 0.770 1.880 3.129 14.618 14.514 1.007 possible 1490 12 D VAL CG1 10 C4H3u 0.770 1.880 35.918 -1.000 36.320 -1.000 bad 1491 12 D VAL CG2 10 C4H3u 0.770 1.880 31.513 -1.000 36.173 -1.000 bad 1493 13 D ILE N 12 N3H1s 0.700 1.640 2.541 12.808 13.493 0.949 [OK] 1494 13 D ILE CA 3 C4H1s 0.770 1.880 2.795 12.239 12.946 0.945 [OK] 1495 13 D ILE C 1 C3H0s 0.770 1.610 2.696 8.660 8.445 1.025 [OK] 1496 13 D ILE O 16 O1H0u 0.660 1.420 2.603 15.332 15.930 0.962 [OK] 1497 13 D ILE CB 4 C4H1b 0.770 1.880 2.925 15.141 14.146 1.070 [OK] 1498 13 D ILE CG1 9 C4H2b 0.770 1.880 3.136 23.467 24.071 0.975 possible 1499 13 D ILE CG2 10 C4H3u 0.770 1.880 31.138 -1.000 35.763 -1.000 bad 1500 13 D ILE CD1 10 C4H3u 0.770 1.880 6.943 88.278 38.219 2.310 possible 1502 14 D ASN N 12 N3H1s 0.700 1.640 2.668 13.905 13.525 1.028 [OK] 1503 14 D ASN CA 3 C4H1s 0.770 1.880 2.747 11.778 13.052 0.902 [OK] 1504 14 D ASN C 1 C3H0s 0.770 1.610 2.850 8.928 8.853 1.009 [OK] 1505 14 D ASN O 16 O1H0u 0.660 1.420 2.503 15.339 15.857 0.967 [OK] 1506 14 D ASN CB 8 C4H2s 0.770 1.880 4.879 32.048 22.756 1.408 possible 1507 14 D ASN CG 2 C3H0b 0.770 1.610 2.732 10.360 9.537 1.086 [OK] 1508 14 D ASN OD1 16 O1H0u 0.660 1.420 14.433 -1.000 16.247 -1.000 bad 1509 14 D ASN ND2 15 N3H2u 0.700 1.640 2.619 19.885 22.525 0.883 [OK] 1513 15 D PRO N 11 N3H0u 0.700 1.640 2.850 8.433 8.650 0.975 [OK] 1514 15 D PRO CA 4 C4H1b 0.770 1.880 3.036 16.553 13.828 1.197 possible 1515 15 D PRO C 1 C3H0s 0.770 1.610 2.273 8.355 8.768 0.953 [OK] 1516 15 D PRO O 16 O1H0u 0.660 1.420 2.365 15.674 15.856 0.989 [OK] 1517 15 D PRO CB 9 C4H2b 0.770 1.880 3.184 27.344 25.314 1.080 possible 1518 15 D PRO CG 9 C4H2b 0.770 1.880 2.946 26.310 25.480 1.033 [OK] 1519 15 D PRO CD 8 C4H2s 0.770 1.880 2.782 21.975 23.390 0.939 [OK] 1520 16 D SER N 12 N3H1s 0.700 1.640 2.479 12.056 13.808 0.873 [OK] 1521 16 D SER CA 3 C4H1s 0.770 1.880 2.535 13.243 13.351 0.992 [OK] 1522 16 D SER C 1 C3H0s 0.770 1.610 2.900 9.305 8.858 1.050 [OK] 1523 16 D SER O 16 O1H0u 0.660 1.420 2.641 19.093 15.860 1.204 [OK] 1524 16 D SER CB 8 C4H2s 0.770 1.880 4.842 38.595 23.599 1.635 possible 1525 16 D SER OG 17 O2H1u 0.660 1.460 2.532 19.749 18.021 1.096 [OK] 1528 17 D THR N 12 N3H1s 0.700 1.640 2.603 13.413 13.544 0.990 [OK] 1529 17 D THR CA 3 C4H1s 0.770 1.880 2.744 13.658 13.025 1.049 [OK] 1530 17 D THR C 1 C3H0s 0.770 1.610 2.434 8.306 8.685 0.956 [OK] 1531 17 D THR O 16 O1H0u 0.660 1.420 2.492 18.434 15.795 1.167 [OK] 1532 17 D THR CB 4 C4H1b 0.770 1.880 3.159 14.115 14.687 0.961 possible 1533 17 D THR OG1 17 O2H1u 0.660 1.460 6.274 46.663 17.610 2.650 possible 1534 17 D THR CG2 10 C4H3u 0.770 1.880 3.010 33.414 36.265 0.921 possible 1537 18 D TRP N 12 N3H1s 0.700 1.640 2.362 12.950 13.639 0.949 [OK] 1538 18 D TRP CA 3 C4H1s 0.770 1.880 2.611 12.607 13.323 0.946 [OK] 1539 18 D TRP C 1 C3H0s 0.770 1.610 3.064 9.765 8.687 1.124 possible 1540 18 D TRP O 16 O1H0u 0.660 1.420 2.634 14.769 15.797 0.935 [OK] 1541 18 D TRP CB 8 C4H2s 0.770 1.880 3.931 33.232 23.826 1.395 possible 1542 18 D TRP CG 2 C3H0b 0.770 1.610 3.459 11.178 9.915 1.127 possible 1543 18 D TRP CD1 5 C3H1s 0.770 1.760 3.156 21.272 20.597 1.033 possible 1544 18 D TRP CD2 2 C3H0b 0.770 1.610 4.696 14.630 10.068 1.453 possible 1545 18 D TRP NE1 13 N3H1b 0.700 1.640 5.437 31.439 16.723 1.880 possible 1546 18 D TRP CE2 2 C3H0b 0.770 1.610 4.693 14.160 9.848 1.438 possible 1547 18 D TRP CE3 6 C3H1b 0.770 1.760 5.618 36.281 20.383 1.780 possible 1548 18 D TRP CZ2 6 C3H1b 0.770 1.760 14.319 -1.000 20.931 -1.000 bad 1549 18 D TRP CZ3 6 C3H1b 0.770 1.760 6.399 48.385 21.429 2.258 possible 1550 18 D TRP CH2 6 C3H1b 0.770 1.760 18.286 -1.000 21.219 -1.000 bad 1553 19 D LEU N 12 N3H1s 0.700 1.640 3.084 15.383 13.517 1.138 possible 1554 19 D LEU CA 3 C4H1s 0.770 1.880 3.308 13.702 13.055 1.050 possible 1555 19 D LEU C 1 C3H0s 0.770 1.610 2.655 8.442 8.781 0.961 [OK] 1556 19 D LEU O 16 O1H0u 0.660 1.420 2.359 15.325 15.957 0.960 [OK] 1557 19 D LEU CB 8 C4H2s 0.770 1.880 3.155 21.784 22.818 0.955 possible 1558 19 D LEU CG 4 C4H1b 0.770 1.880 3.135 14.971 14.704 1.018 possible 1559 19 D LEU CD1 10 C4H3u 0.770 1.880 3.215 39.271 37.235 1.055 possible 1560 19 D LEU CD2 10 C4H3u 0.770 1.880 3.173 43.030 37.020 1.162 possible 1562 20 D PRO N 11 N3H0u 0.700 1.640 2.922 8.890 8.650 1.028 [OK] 1563 20 D PRO CA 4 C4H1b 0.770 1.880 3.383 15.171 13.828 1.097 possible 1564 20 D PRO C 1 C3H0s 0.770 1.610 2.589 8.998 8.768 1.026 [OK] 1565 20 D PRO O 16 O1H0u 0.660 1.420 3.115 16.974 15.856 1.070 possible 1566 20 D PRO CB 9 C4H2b 0.770 1.880 3.621 31.472 25.314 1.243 possible 1567 20 D PRO CG 9 C4H2b 0.770 1.880 3.125 23.927 25.480 0.939 possible 1568 20 D PRO CD 8 C4H2s 0.770 1.880 2.818 23.379 23.390 1.000 [OK] 1569 21 D VAL N 12 N3H1s 0.700 1.640 2.667 14.437 13.553 1.065 [OK] 1570 21 D VAL CA 3 C4H1s 0.770 1.880 2.810 13.555 13.078 1.036 [OK] 1571 21 D VAL C 1 C3H0s 0.770 1.610 2.667 7.894 8.528 0.926 [OK] 1572 21 D VAL O 16 O1H0u 0.660 1.420 2.772 15.000 15.998 0.938 [OK] 1573 21 D VAL CB 4 C4H1b 0.770 1.880 3.014 13.838 14.514 0.953 possible 1574 21 D VAL CG1 10 C4H3u 0.770 1.880 4.588 51.720 36.320 1.424 possible 1575 21 D VAL CG2 10 C4H3u 0.770 1.880 3.089 38.420 36.173 1.062 possible 1577 22 D ILE N 12 N3H1s 0.700 1.640 2.969 13.387 13.493 0.992 [OK] 1578 22 D ILE CA 3 C4H1s 0.770 1.880 3.476 16.668 12.946 1.287 possible 1579 22 D ILE C 1 C3H0s 0.770 1.610 2.182 7.796 8.445 0.923 [OK] 1580 22 D ILE O 16 O1H0u 0.660 1.420 2.834 19.422 15.930 1.219 [OK] 1581 22 D ILE CB 4 C4H1b 0.770 1.880 3.004 14.735 14.146 1.042 possible 1582 22 D ILE CG1 9 C4H2b 0.770 1.880 3.281 24.667 24.071 1.025 possible 1583 22 D ILE CG2 10 C4H3u 0.770 1.880 4.696 59.400 35.763 1.661 possible 1584 22 D ILE CD1 10 C4H3u 0.770 1.880 2.994 35.039 38.219 0.917 [OK] 1586 23 D TRP N 12 N3H1s 0.700 1.640 2.214 12.316 13.639 0.903 [OK] 1587 23 D TRP CA 3 C4H1s 0.770 1.880 2.966 13.859 13.323 1.040 [OK] 1588 23 D TRP C 1 C3H0s 0.770 1.610 2.140 8.386 8.687 0.965 [OK] 1589 23 D TRP O 16 O1H0u 0.660 1.420 2.260 15.365 15.797 0.973 [OK] 1590 23 D TRP CB 8 C4H2s 0.770 1.880 3.017 21.923 23.826 0.920 possible 1591 23 D TRP CG 2 C3H0b 0.770 1.610 2.504 10.015 9.915 1.010 [OK] 1592 23 D TRP CD1 5 C3H1s 0.770 1.760 2.861 20.220 20.597 0.982 [OK] 1593 23 D TRP CD2 2 C3H0b 0.770 1.610 2.612 11.095 10.068 1.102 [OK] 1594 23 D TRP NE1 13 N3H1b 0.700 1.640 2.655 16.713 16.723 0.999 [OK] 1595 23 D TRP CE2 2 C3H0b 0.770 1.610 2.613 10.465 9.848 1.063 [OK] 1596 23 D TRP CE3 6 C3H1b 0.770 1.760 3.342 24.205 20.383 1.187 possible 1597 23 D TRP CZ2 6 C3H1b 0.770 1.760 2.831 19.727 20.931 0.942 [OK] 1598 23 D TRP CZ3 6 C3H1b 0.770 1.760 3.245 26.489 21.429 1.236 possible 1599 23 D TRP CH2 6 C3H1b 0.770 1.760 2.980 22.588 21.219 1.065 [OK] 1602 24 D ILE N 12 N3H1s 0.700 1.640 2.397 12.340 13.493 0.915 [OK] 1603 24 D ILE CA 3 C4H1s 0.770 1.880 3.067 14.649 12.946 1.132 possible 1604 24 D ILE C 1 C3H0s 0.770 1.610 2.650 7.782 8.445 0.922 [OK] 1605 24 D ILE O 16 O1H0u 0.660 1.420 2.953 15.955 15.930 1.002 [OK] 1606 24 D ILE CB 4 C4H1b 0.770 1.880 2.775 13.766 14.146 0.973 [OK] 1607 24 D ILE CG1 9 C4H2b 0.770 1.880 3.621 24.121 24.071 1.002 possible 1608 24 D ILE CG2 10 C4H3u 0.770 1.880 5.166 52.044 35.763 1.455 possible 1609 24 D ILE CD1 10 C4H3u 0.770 1.880 4.212 44.243 38.219 1.158 possible 1611 25 D VAL N 12 N3H1s 0.700 1.640 2.740 13.822 13.553 1.020 [OK] 1612 25 D VAL CA 3 C4H1s 0.770 1.880 3.461 15.762 13.078 1.205 possible 1613 25 D VAL C 1 C3H0s 0.770 1.610 2.596 7.687 8.528 0.901 [OK] 1614 25 D VAL O 16 O1H0u 0.660 1.420 3.197 16.829 15.998 1.052 possible 1615 25 D VAL CB 4 C4H1b 0.770 1.880 3.120 15.740 14.514 1.084 possible 1616 25 D VAL CG1 10 C4H3u 0.770 1.880 18.403 -1.000 36.320 -1.000 bad 1617 25 D VAL CG2 10 C4H3u 0.770 1.880 5.187 57.756 36.173 1.597 possible 1619 26 D ALA N 12 N3H1s 0.700 1.640 3.073 15.332 13.872 1.105 possible 1620 26 D ALA CA 4 C4H1b 0.770 1.880 3.162 16.858 13.959 1.208 possible 1621 26 D ALA C 1 C3H0s 0.770 1.610 2.101 8.246 8.858 0.931 [OK] 1622 26 D ALA O 16 O1H0u 0.660 1.420 2.355 15.076 16.026 0.941 [OK] 1623 26 D ALA CB 10 C4H3u 0.770 1.880 3.096 33.999 36.551 0.930 possible 1625 27 D THR N 12 N3H1s 0.700 1.640 2.339 12.290 13.544 0.907 [OK] 1626 27 D THR CA 3 C4H1s 0.770 1.880 2.673 12.727 13.025 0.977 [OK] 1627 27 D THR C 1 C3H0s 0.770 1.610 2.604 8.284 8.685 0.954 [OK] 1628 27 D THR O 16 O1H0u 0.660 1.420 2.350 14.253 15.795 0.902 [OK] 1629 27 D THR CB 4 C4H1b 0.770 1.880 3.428 16.036 14.687 1.092 possible 1630 27 D THR OG1 17 O2H1u 0.660 1.460 2.664 20.298 17.610 1.153 [OK] 1631 27 D THR CG2 10 C4H3u 0.770 1.880 3.729 40.798 36.265 1.125 possible 1634 28 D VAL N 12 N3H1s 0.700 1.640 2.895 13.370 13.553 0.987 [OK] 1635 28 D VAL CA 3 C4H1s 0.770 1.880 3.170 14.318 13.078 1.095 possible 1636 28 D VAL C 1 C3H0s 0.770 1.610 2.665 7.628 8.528 0.894 [OK] 1637 28 D VAL O 16 O1H0u 0.660 1.420 2.891 16.376 15.998 1.024 [OK] 1638 28 D VAL CB 4 C4H1b 0.770 1.880 3.509 16.375 14.514 1.128 possible 1639 28 D VAL CG1 10 C4H3u 0.770 1.880 4.886 64.228 36.320 1.768 possible 1640 28 D VAL CG2 10 C4H3u 0.770 1.880 4.888 74.400 36.173 2.057 possible 1642 29 D VAL N 12 N3H1s 0.700 1.640 2.957 13.908 13.553 1.026 [OK] 1643 29 D VAL CA 3 C4H1s 0.770 1.880 3.921 17.406 13.078 1.331 possible 1644 29 D VAL C 1 C3H0s 0.770 1.610 2.262 7.581 8.528 0.889 [OK] 1645 29 D VAL O 16 O1H0u 0.660 1.420 2.850 14.945 15.998 0.934 [OK] 1646 29 D VAL CB 4 C4H1b 0.770 1.880 2.866 14.645 14.514 1.009 [OK] 1647 29 D VAL CG1 10 C4H3u 0.770 1.880 3.390 35.797 36.320 0.986 possible 1648 29 D VAL CG2 10 C4H3u 0.770 1.880 6.543 82.196 36.173 2.272 possible 1650 30 D ALA N 12 N3H1s 0.700 1.640 2.215 12.832 13.872 0.925 [OK] 1651 30 D ALA CA 4 C4H1b 0.770 1.880 2.710 13.984 13.959 1.002 [OK] 1652 30 D ALA C 1 C3H0s 0.770 1.610 2.131 7.963 8.858 0.899 [OK] 1653 30 D ALA O 16 O1H0u 0.660 1.420 2.351 15.571 16.026 0.972 [OK] 1654 30 D ALA CB 10 C4H3u 0.770 1.880 2.980 31.661 36.551 0.866 [OK] 1656 31 D ILE N 12 N3H1s 0.700 1.640 2.190 11.738 13.493 0.870 [OK] 1657 31 D ILE CA 3 C4H1s 0.770 1.880 2.698 13.926 12.946 1.076 [OK] 1658 31 D ILE C 1 C3H0s 0.770 1.610 2.538 7.598 8.445 0.900 [OK] 1659 31 D ILE O 16 O1H0u 0.660 1.420 2.637 17.245 15.930 1.083 [OK] 1660 31 D ILE CB 4 C4H1b 0.770 1.880 3.213 14.485 14.146 1.024 possible 1661 31 D ILE CG1 9 C4H2b 0.770 1.880 3.279 25.679 24.071 1.067 possible 1662 31 D ILE CG2 10 C4H3u 0.770 1.880 3.129 41.740 35.763 1.167 possible 1663 31 D ILE CD1 10 C4H3u 0.770 1.880 3.883 49.485 38.219 1.295 possible 1665 32 D ALA N 12 N3H1s 0.700 1.640 2.594 12.816 13.872 0.924 [OK] 1666 32 D ALA CA 4 C4H1b 0.770 1.880 3.764 16.029 13.959 1.148 possible 1667 32 D ALA C 1 C3H0s 0.770 1.610 2.284 8.350 8.858 0.943 [OK] 1668 32 D ALA O 16 O1H0u 0.660 1.420 4.433 22.913 16.026 1.430 possible 1669 32 D ALA CB 10 C4H3u 0.770 1.880 5.282 66.664 36.551 1.824 possible 1671 33 D VAL N 12 N3H1s 0.700 1.640 2.624 13.060 13.553 0.964 [OK] 1672 33 D VAL CA 3 C4H1s 0.770 1.880 2.870 13.343 13.078 1.020 [OK] 1673 33 D VAL C 1 C3H0s 0.770 1.610 2.233 7.799 8.528 0.914 [OK] 1674 33 D VAL O 16 O1H0u 0.660 1.420 3.063 15.167 15.998 0.948 possible 1675 33 D VAL CB 4 C4H1b 0.770 1.880 2.874 15.891 14.514 1.095 [OK] 1676 33 D VAL CG1 10 C4H3u 0.770 1.880 4.073 42.857 36.320 1.180 possible 1677 33 D VAL CG2 10 C4H3u 0.770 1.880 3.997 44.398 36.173 1.227 possible 1679 34 D HIS N 12 N3H1s 0.700 1.640 2.539 13.629 13.532 1.007 [OK] 1680 34 D HIS CA 3 C4H1s 0.770 1.880 3.252 15.992 13.335 1.199 possible 1681 34 D HIS C 1 C3H0s 0.770 1.610 2.723 8.853 8.760 1.011 [OK] 1682 34 D HIS O 16 O1H0u 0.660 1.420 2.526 17.164 15.855 1.083 [OK] 1683 34 D HIS CB 8 C4H2s 0.770 1.880 2.831 23.157 23.443 0.988 [OK] 1684 34 D HIS CG 2 C3H0b 0.770 1.610 2.543 9.114 9.870 0.923 [OK] 1685 34 D HIS ND1 13 N3H1b 0.700 1.640 2.571 14.681 15.483 0.948 [OK] 1686 34 D HIS CD2 5 C3H1s 0.770 1.760 3.125 21.656 20.938 1.034 possible 1687 34 D HIS CE1 5 C3H1s 0.770 1.760 2.601 17.135 20.491 0.836 [OK] 1688 34 D HIS NE2 13 N3H1b 0.700 1.640 2.416 11.019 15.758 0.699 [OK] 1692 35 D ALA N 12 N3H1s 0.700 1.640 2.835 14.417 13.872 1.039 [OK] 1693 35 D ALA CA 4 C4H1b 0.770 1.880 3.149 17.209 13.959 1.233 possible 1694 35 D ALA C 1 C3H0s 0.770 1.610 2.890 8.547 8.858 0.965 [OK] 1695 35 D ALA O 16 O1H0u 0.660 1.420 2.548 16.706 16.026 1.042 [OK] 1696 35 D ALA CB 10 C4H3u 0.770 1.880 4.412 48.293 36.551 1.321 possible 1698 36 D ALA N 12 N3H1s 0.700 1.640 4.260 15.658 13.872 1.129 possible 1699 36 D ALA CA 4 C4H1b 0.770 1.880 4.755 23.649 13.959 1.694 possible 1700 36 D ALA C 1 C3H0s 0.770 1.610 3.982 9.355 8.858 1.056 possible 1701 36 D ALA O 16 O1H0u 0.660 1.420 4.026 19.458 16.026 1.214 possible 1702 36 D ALA CB 10 C4H3u 0.770 1.880 6.865 83.715 36.551 2.290 possible 1704 37 D VAL N 12 N3H1s 0.700 1.640 3.949 14.060 13.553 1.037 possible 1705 37 D VAL CA 3 C4H1s 0.770 1.880 4.456 17.783 13.078 1.360 possible 1706 37 D VAL C 1 C3H0s 0.770 1.610 2.505 7.637 8.528 0.895 [OK] 1707 37 D VAL O 16 O1H0u 0.660 1.420 2.499 16.789 15.998 1.049 [OK] 1708 37 D VAL CB 4 C4H1b 0.770 1.880 4.200 22.511 14.514 1.551 possible 1709 37 D VAL CG1 10 C4H3u 0.770 1.880 4.272 44.789 36.320 1.233 possible 1710 37 D VAL CG2 10 C4H3u 0.770 1.880 3.222 34.803 36.173 0.962 possible 1712 38 D LEU N 12 N3H1s 0.700 1.640 2.525 13.130 13.517 0.971 [OK] 1713 38 D LEU CA 3 C4H1s 0.770 1.880 2.914 13.532 13.055 1.037 [OK] 1714 38 D LEU C 1 C3H0s 0.770 1.610 2.507 8.795 8.781 1.002 [OK] 1715 38 D LEU O 16 O1H0u 0.660 1.420 2.738 20.774 15.957 1.302 [OK] 1716 38 D LEU CB 8 C4H2s 0.770 1.880 2.831 21.983 22.818 0.963 [OK] 1717 38 D LEU CG 4 C4H1b 0.770 1.880 2.743 12.908 14.704 0.878 [OK] 1718 38 D LEU CD1 10 C4H3u 0.770 1.880 3.149 37.197 37.235 0.999 possible 1719 38 D LEU CD2 10 C4H3u 0.770 1.880 2.800 29.867 37.020 0.807 [OK] 1721 39 D ALA N 12 N3H1s 0.700 1.640 2.538 12.880 13.872 0.929 [OK] 1722 39 D ALA CA 4 C4H1b 0.770 1.880 3.538 16.354 13.959 1.172 possible 1723 39 D ALA C 1 C3H0s 0.770 1.610 2.457 9.414 8.858 1.063 [OK] 1724 39 D ALA O 16 O1H0u 0.660 1.420 18.382 -1.000 16.026 -1.000 bad 1725 39 D ALA CB 10 C4H3u 0.770 1.880 4.987 56.121 36.551 1.535 possible 1727 40 D ALA N 12 N3H1s 0.700 1.640 2.372 13.801 13.872 0.995 [OK] 1728 40 D ALA CA 4 C4H1b 0.770 1.880 3.570 13.417 13.959 0.961 possible 1729 40 D ALA C 1 C3H0s 0.770 1.610 3.067 9.109 8.858 1.028 possible 1730 40 D ALA O 16 O1H0u 0.660 1.420 2.776 16.295 16.026 1.017 [OK] 1731 40 D ALA CB 10 C4H3u 0.770 1.880 30.198 -1.000 36.551 -1.000 bad 1733 41 D PRO N 11 N3H0u 0.700 1.640 3.423 10.039 8.650 1.161 possible 1734 41 D PRO CA 4 C4H1b 0.770 1.880 5.372 23.272 13.828 1.683 possible 1735 41 D PRO C 1 C3H0s 0.770 1.610 3.522 10.857 8.768 1.238 possible 1736 41 D PRO O 16 O1H0u 0.660 1.420 2.964 23.618 15.856 1.490 [OK] 1737 41 D PRO CB 9 C4H2b 0.770 1.880 5.762 40.310 25.314 1.592 possible 1738 41 D PRO CG 9 C4H2b 0.770 1.880 30.946 -1.000 25.480 -1.000 bad 1739 41 D PRO CD 8 C4H2s 0.770 1.880 7.503 74.656 23.390 3.192 possible 1740 42 D GLY N 12 N3H1s 0.700 1.640 3.669 19.246 14.480 1.329 possible 1741 42 D GLY CA 8 C4H2s 0.770 1.880 3.923 33.865 23.470 1.443 possible 1742 42 D GLY C 2 C3H0b 0.770 1.610 3.641 12.787 9.652 1.325 possible 1743 42 D GLY O 16 O1H0u 0.660 1.420 3.114 22.848 16.154 1.414 possible 1745 43 D PHE N 12 N3H1s 0.700 1.640 3.269 14.148 13.524 1.046 possible 1746 43 D PHE CA 3 C4H1s 0.770 1.880 3.109 12.656 13.371 0.947 possible 1747 43 D PHE C 1 C3H0s 0.770 1.610 2.860 10.047 8.697 1.155 [OK] 1748 43 D PHE O 16 O1H0u 0.660 1.420 2.649 19.125 15.961 1.198 [OK] 1749 43 D PHE CB 8 C4H2s 0.770 1.880 3.406 24.449 23.623 1.035 possible 1750 43 D PHE CG 2 C3H0b 0.770 1.610 2.967 11.073 9.684 1.143 [OK] 1751 43 D PHE CD1 5 C3H1s 0.770 1.760 2.951 22.816 20.325 1.123 [OK] 1752 43 D PHE CD2 6 C3H1b 0.770 1.760 5.898 62.350 20.948 2.976 possible 1753 43 D PHE CE1 6 C3H1b 0.770 1.760 2.852 21.292 21.532 0.989 [OK] 1754 43 D PHE CE2 6 C3H1b 0.770 1.760 5.488 41.107 21.625 1.901 possible 1755 43 D PHE CZ 6 C3H1b 0.770 1.760 2.696 19.042 21.555 0.883 [OK] 1757 44 D ASN N 12 N3H1s 0.700 1.640 3.090 18.425 13.525 1.362 possible 1758 44 D ASN CA 3 C4H1s 0.770 1.880 2.746 13.287 13.052 1.018 [OK] 1759 44 D ASN C 1 C3H0s 0.770 1.610 2.450 8.139 8.853 0.919 [OK] 1760 44 D ASN O 16 O1H0u 0.660 1.420 2.897 15.525 15.857 0.979 [OK] 1761 44 D ASN CB 8 C4H2s 0.770 1.880 3.533 29.430 22.756 1.293 possible 1762 44 D ASN CG 2 C3H0b 0.770 1.610 2.612 8.771 9.537 0.920 [OK] 1763 44 D ASN OD1 16 O1H0u 0.660 1.420 2.784 21.278 16.247 1.310 [OK] 1764 44 D ASN ND2 15 N3H2u 0.700 1.640 2.621 17.382 22.525 0.772 [OK] 1768 45 D TRP N 12 N3H1s 0.700 1.640 2.812 14.538 13.639 1.066 [OK] 1769 45 D TRP CA 3 C4H1s 0.770 1.880 3.017 15.456 13.323 1.160 possible 1770 45 D TRP C 1 C3H0s 0.770 1.610 2.231 8.195 8.687 0.943 [OK] 1771 45 D TRP O 16 O1H0u 0.660 1.420 2.507 17.757 15.797 1.124 [OK] 1772 45 D TRP CB 8 C4H2s 0.770 1.880 3.129 28.745 23.826 1.206 possible 1773 45 D TRP CG 2 C3H0b 0.770 1.610 2.493 9.923 9.915 1.001 [OK] 1774 45 D TRP CD1 5 C3H1s 0.770 1.760 2.891 24.914 20.597 1.210 [OK] 1775 45 D TRP CD2 2 C3H0b 0.770 1.610 2.362 9.615 10.068 0.955 [OK] 1776 45 D TRP NE1 13 N3H1b 0.700 1.640 2.747 14.719 16.723 0.880 [OK] 1777 45 D TRP CE2 2 C3H0b 0.770 1.610 2.250 9.119 9.848 0.926 [OK] 1778 45 D TRP CE3 6 C3H1b 0.770 1.760 2.813 18.853 20.383 0.925 [OK] 1779 45 D TRP CZ2 6 C3H1b 0.770 1.760 2.703 19.036 20.931 0.909 [OK] 1780 45 D TRP CZ3 6 C3H1b 0.770 1.760 3.098 18.931 21.429 0.883 possible 1781 45 D TRP CH2 6 C3H1b 0.770 1.760 3.047 21.201 21.219 0.999 possible 1784 46 D ILE N 12 N3H1s 0.700 1.640 2.379 11.710 13.493 0.868 [OK] 1785 46 D ILE CA 3 C4H1s 0.770 1.880 2.962 15.105 12.946 1.167 [OK] 1786 46 D ILE C 1 C3H0s 0.770 1.610 2.384 8.469 8.445 1.003 [OK] 1787 46 D ILE O 16 O1H0u 0.660 1.420 2.697 17.408 15.930 1.093 [OK] 1788 46 D ILE CB 4 C4H1b 0.770 1.880 2.912 12.843 14.146 0.908 [OK] 1789 46 D ILE CG1 9 C4H2b 0.770 1.880 2.933 19.782 24.071 0.822 [OK] 1790 46 D ILE CG2 10 C4H3u 0.770 1.880 2.939 35.868 35.763 1.003 [OK] 1791 46 D ILE CD1 10 C4H3u 0.770 1.880 3.265 41.752 38.219 1.092 possible 1793 47 D ALA N 12 N3H1s 0.700 1.640 2.438 11.433 13.872 0.824 [OK] 1794 47 D ALA CA 4 C4H1b 0.770 1.880 3.204 16.650 13.959 1.193 possible 1795 47 D ALA C 1 C3H0s 0.770 1.610 2.354 8.381 8.858 0.946 [OK] 1796 47 D ALA O 16 O1H0u 0.660 1.420 2.433 14.529 16.026 0.907 [OK] 1797 47 D ALA CB 10 C4H3u 0.770 1.880 3.585 41.184 36.551 1.127 possible 1799 48 D LEU N 12 N3H1s 0.700 1.640 2.817 13.799 13.517 1.021 [OK] 1800 48 D LEU CA 3 C4H1s 0.770 1.880 2.988 13.282 13.055 1.017 [OK] 1801 48 D LEU C 1 C3H0s 0.770 1.610 3.169 8.785 8.781 1.000 possible 1802 48 D LEU O 16 O1H0u 0.660 1.420 4.621 26.325 15.957 1.650 possible 1803 48 D LEU CB 8 C4H2s 0.770 1.880 4.208 27.306 22.818 1.197 possible 1804 48 D LEU CG 4 C4H1b 0.770 1.880 6.204 52.620 14.704 3.579 possible 1805 48 D LEU CD1 10 C4H3u 0.770 1.880 5.145 47.847 37.235 1.285 possible 1806 48 D LEU CD2 10 C4H3u 0.770 1.880 4.144 49.140 37.020 1.327 possible 1808 49 D GLY N 12 N3H1s 0.700 1.640 2.909 14.147 14.480 0.977 [OK] 1809 49 D GLY CA 8 C4H2s 0.770 1.880 3.488 29.834 23.470 1.271 possible 1810 49 D GLY C 2 C3H0b 0.770 1.610 2.665 9.959 9.652 1.032 [OK] 1811 49 D GLY O 16 O1H0u 0.660 1.420 3.022 20.595 16.154 1.275 possible 1813 50 D ALA N 12 N3H1s 0.700 1.640 2.757 13.508 13.872 0.974 [OK] 1814 50 D ALA CA 4 C4H1b 0.770 1.880 3.014 16.008 13.959 1.147 possible 1815 50 D ALA C 1 C3H0s 0.770 1.610 2.689 8.979 8.858 1.014 [OK] 1816 50 D ALA O 16 O1H0u 0.660 1.420 2.507 16.010 16.026 0.999 [OK] 1817 50 D ALA CB 10 C4H3u 0.770 1.880 3.174 34.902 36.551 0.955 possible 1819 51 D ALA N 12 N3H1s 0.700 1.640 2.468 12.236 13.872 0.882 [OK] 1820 51 D ALA CA 4 C4H1b 0.770 1.880 2.941 12.953 13.959 0.928 [OK] 1821 51 D ALA C 1 C3H0s 0.770 1.610 3.562 8.785 8.858 0.992 possible 1822 51 D ALA O 16 O1H0u 0.660 1.420 3.405 18.459 16.026 1.152 possible 1823 51 D ALA CB 10 C4H3u 0.770 1.880 4.624 38.869 36.551 1.063 possible 1825 52 D LYS N 12 N3H1s 0.700 1.640 4.719 17.155 13.429 1.277 possible 1826 52 D LYS CA 3 C4H1s 0.770 1.880 6.345 26.150 13.217 1.978 possible 1827 52 D LYS C 1 C3H0s 0.770 1.610 2.294 7.723 8.696 0.888 [OK] 1828 52 D LYS O 16 O1H0u 0.660 1.420 3.883 17.195 15.818 1.087 possible 1829 52 D LYS CB 8 C4H2s 0.770 1.880 6.452 40.423 22.578 1.790 possible 1830 52 D LYS CG 8 C4H2s 0.770 1.880 5.852 39.653 22.847 1.736 possible 1831 52 D LYS CD 8 C4H2s 0.770 1.880 6.268 51.860 23.365 2.220 possible 1832 52 D LYS CE 9 C4H2b 0.770 1.880 36.429 -1.000 23.720 -1.000 bad 1833 52 D LYS NZ 14 N4H3u 0.700 1.640 33.836 -1.000 21.413 -1.000 bad 1838 53 D SER N 12 N3H1s 0.700 1.640 2.765 13.659 13.808 0.989 [OK] 1839 53 D SER CA 3 C4H1s 0.770 1.880 2.898 11.345 13.351 0.850 [OK] 1840 53 D SER C 1 C3H0s 0.770 1.610 3.624 9.220 8.858 1.041 possible 1841 53 D SER O 16 O1H0u 0.660 1.420 7.473 73.470 15.860 4.632 possible 1842 53 D SER CB 8 C4H2s 0.770 1.880 5.574 45.787 23.599 1.940 possible 1843 53 D SER OG 17 O2H1u 0.660 1.460 4.248 27.688 18.021 1.536 possible 1846 54 D ALA N 12 N3H1s 0.700 1.640 3.678 13.897 13.872 1.002 possible 1847 54 D ALA CA 4 C4H1b 0.770 1.880 11.498 -1.000 13.959 -1.000 bad 1848 54 D ALA C 1 C3H0s 0.770 1.610 4.105 9.310 8.858 1.051 possible 1849 54 D ALA O 16 O1H0u 0.660 1.420 24.319 -1.000 16.026 -1.000 bad 1850 54 D ALA CB 10 C4H3u 0.770 1.880 29.238 -1.000 36.551 -1.000 bad 1852 55 D ALA N 12 N3H1s 0.700 1.640 4.300 14.807 13.872 1.067 possible 1853 55 D ALA CA 4 C4H1b 0.770 1.880 5.554 27.677 13.959 1.983 possible 1854 55 D ALA C 1 C3H0s 0.770 1.610 3.452 9.888 8.858 1.116 possible 1855 55 D ALA O 16 O1H0u 0.660 1.420 6.182 70.058 16.026 4.372 possible 1856 55 D ALA CB 10 C4H3u 0.770 1.880 7.124 126.205 36.551 3.453 possible 1858 56 D LYS N 12 N3H1s 0.700 1.640 3.136 13.950 13.429 1.039 possible 1859 56 D LYS CA 3 C4H1s 0.770 1.880 6.049 24.169 13.217 1.829 possible 1860 56 D LYS C 1 C3H0s 0.770 1.610 4.429 10.091 8.696 1.160 possible 1861 56 D LYS O 16 O1H0u 0.660 1.420 42.818 -1.000 15.818 -1.000 bad 1862 56 D LYS CB 8 C4H2s 0.770 1.880 16.081 -1.000 22.578 -1.000 bad 1863 56 D LYS CG 8 C4H2s 0.770 1.880 21.670 -1.000 22.847 -1.000 bad 1864 56 D LYS CD 8 C4H2s 0.770 1.880 32.173 -1.000 23.365 -1.000 bad 1865 56 D LYS CE 9 C4H2b 0.770 1.880 8.558 -1.000 23.720 -1.000 bad 1866 56 D LYS NZ 14 N4H3u 0.700 1.640 19.230 -1.000 21.413 -1.000 bad 1867 56 D LYS OXT 16 O1H0u 0.660 1.420 24.135 -1.000 1.420 -1.000 bad 1873 3 E ARG N 12 N3H1s 0.700 1.640 36.897 -1.000 13.486 -1.000 bad 1874 3 E ARG CA 3 C4H1s 0.770 1.880 3.139 12.534 13.310 0.942 possible 1875 3 E ARG C 1 C3H0s 0.770 1.610 4.116 10.513 8.779 1.198 possible 1876 3 E ARG O 16 O1H0u 0.660 1.420 31.028 -1.000 15.916 -1.000 bad 1877 3 E ARG CB 8 C4H2s 0.770 1.880 26.901 -1.000 22.833 -1.000 bad 1878 3 E ARG CG 8 C4H2s 0.770 1.880 30.894 -1.000 23.273 -1.000 bad 1879 3 E ARG CD 8 C4H2s 0.770 1.880 36.297 -1.000 22.849 -1.000 bad 1880 3 E ARG NE 13 N3H1b 0.700 1.640 6.469 27.944 15.019 1.861 possible 1881 3 E ARG CZ 2 C3H0b 0.770 1.610 5.750 14.618 9.678 1.510 possible 1882 3 E ARG NH1 15 N3H2u 0.700 1.640 43.107 -1.000 22.056 -1.000 bad 1883 3 E ARG NH2 15 N3H2u 0.700 1.640 3.749 35.582 23.132 1.538 possible 1892 4 E SER N 12 N3H1s 0.700 1.640 4.250 19.250 13.808 1.394 possible 1893 4 E SER CA 3 C4H1s 0.770 1.880 7.819 40.160 13.351 3.008 possible 1894 4 E SER C 1 C3H0s 0.770 1.610 3.751 11.581 8.858 1.307 possible 1895 4 E SER O 16 O1H0u 0.660 1.420 6.076 51.950 15.860 3.276 possible 1896 4 E SER CB 8 C4H2s 0.770 1.880 5.760 48.810 23.599 2.068 possible 1897 4 E SER OG 17 O2H1u 0.660 1.460 2.541 16.317 18.021 0.905 [OK] 1900 5 E LEU N 12 N3H1s 0.700 1.640 4.795 22.239 13.517 1.645 possible 1901 5 E LEU CA 3 C4H1s 0.770 1.880 3.842 15.110 13.055 1.157 possible 1902 5 E LEU C 1 C3H0s 0.770 1.610 2.636 8.860 8.781 1.009 [OK] 1903 5 E LEU O 16 O1H0u 0.660 1.420 16.956 -1.000 15.957 -1.000 bad 1904 5 E LEU CB 8 C4H2s 0.770 1.880 4.113 26.345 22.818 1.155 possible 1905 5 E LEU CG 4 C4H1b 0.770 1.880 9.376 -1.000 14.704 -1.000 bad 1906 5 E LEU CD1 10 C4H3u 0.770 1.880 45.863 -1.000 37.235 -1.000 bad 1907 5 E LEU CD2 10 C4H3u 0.770 1.880 45.272 -1.000 37.020 -1.000 bad 1909 6 E SER N 12 N3H1s 0.700 1.640 2.352 12.269 13.808 0.889 [OK] 1910 6 E SER CA 3 C4H1s 0.770 1.880 3.895 18.199 13.351 1.363 possible 1911 6 E SER C 1 C3H0s 0.770 1.610 3.842 10.241 8.858 1.156 possible 1912 6 E SER O 16 O1H0u 0.660 1.420 10.977 -1.000 15.860 -1.000 bad 1913 6 E SER CB 8 C4H2s 0.770 1.880 2.797 22.127 23.599 0.938 [OK] 1914 6 E SER OG 17 O2H1u 0.660 1.460 2.355 15.406 18.021 0.855 [OK] 1917 7 E GLY N 12 N3H1s 0.700 1.640 3.643 14.642 14.480 1.011 possible 1918 7 E GLY CA 8 C4H2s 0.770 1.880 22.622 -1.000 23.470 -1.000 bad 1919 7 E GLY C 2 C3H0b 0.770 1.610 3.425 11.290 9.652 1.170 possible 1920 7 E GLY O 16 O1H0u 0.660 1.420 6.426 35.210 16.154 2.180 possible 1922 8 E LEU N 12 N3H1s 0.700 1.640 2.389 11.971 13.517 0.886 [OK] 1923 8 E LEU CA 3 C4H1s 0.770 1.880 2.863 13.055 13.055 1.000 [OK] 1924 8 E LEU C 1 C3H0s 0.770 1.610 2.402 9.178 8.781 1.045 [OK] 1925 8 E LEU O 16 O1H0u 0.660 1.420 3.844 21.328 15.957 1.337 possible 1926 8 E LEU CB 8 C4H2s 0.770 1.880 2.872 23.351 22.818 1.023 [OK] 1927 8 E LEU CG 4 C4H1b 0.770 1.880 2.754 14.076 14.704 0.957 [OK] 1928 8 E LEU CD1 10 C4H3u 0.770 1.880 2.946 34.971 37.235 0.939 [OK] 1929 8 E LEU CD2 10 C4H3u 0.770 1.880 3.473 35.449 37.020 0.958 possible 1931 9 E THR N 12 N3H1s 0.700 1.640 2.556 12.155 13.544 0.897 [OK] 1932 9 E THR CA 3 C4H1s 0.770 1.880 4.836 22.080 13.025 1.695 possible 1933 9 E THR C 1 C3H0s 0.770 1.610 2.403 8.251 8.685 0.950 [OK] 1934 9 E THR O 16 O1H0u 0.660 1.420 2.293 12.882 15.795 0.816 [OK] 1935 9 E THR CB 4 C4H1b 0.770 1.880 5.288 24.030 14.687 1.636 possible 1936 9 E THR OG1 17 O2H1u 0.660 1.460 4.253 20.973 17.610 1.191 possible 1937 9 E THR CG2 10 C4H3u 0.770 1.880 30.090 -1.000 36.265 -1.000 bad 1940 10 E GLU N 12 N3H1s 0.700 1.640 5.200 30.608 13.461 2.274 possible 1941 10 E GLU CA 3 C4H1s 0.770 1.880 2.851 14.025 13.284 1.056 [OK] 1942 10 E GLU C 1 C3H0s 0.770 1.610 3.299 8.821 8.631 1.022 possible 1943 10 E GLU O 16 O1H0u 0.660 1.420 2.518 14.594 15.765 0.926 [OK] 1944 10 E GLU CB 8 C4H2s 0.770 1.880 5.498 42.041 23.214 1.811 possible 1945 10 E GLU CG 8 C4H2s 0.770 1.880 7.078 36.587 23.304 1.570 possible 1946 10 E GLU CD 2 C3H0b 0.770 1.610 3.585 -1.000 9.437 -1.000 bad 1947 10 E GLU OE1 16 O1H0u 0.660 1.420 36.753 -1.000 15.497 -1.000 bad 1948 10 E GLU OE2 16 O1H0u 0.660 1.420 23.393 -1.000 16.213 -1.000 bad 1950 11 E GLU N 12 N3H1s 0.700 1.640 3.365 13.541 13.461 1.006 possible 1951 11 E GLU CA 3 C4H1s 0.770 1.880 4.001 18.577 13.284 1.398 possible 1952 11 E GLU C 1 C3H0s 0.770 1.610 2.516 8.530 8.631 0.988 [OK] 1953 11 E GLU O 16 O1H0u 0.660 1.420 2.808 20.033 15.765 1.271 [OK] 1954 11 E GLU CB 8 C4H2s 0.770 1.880 4.828 39.932 23.214 1.720 possible 1955 11 E GLU CG 8 C4H2s 0.770 1.880 38.117 -1.000 23.304 -1.000 bad 1956 11 E GLU CD 2 C3H0b 0.770 1.610 3.386 -1.000 9.437 -1.000 bad 1957 11 E GLU OE1 16 O1H0u 0.660 1.420 31.591 -1.000 15.497 -1.000 bad 1958 11 E GLU OE2 16 O1H0u 0.660 1.420 27.374 -1.000 16.213 -1.000 bad 1960 12 E GLU N 12 N3H1s 0.700 1.640 2.768 12.229 13.461 0.908 [OK] 1961 12 E GLU CA 3 C4H1s 0.770 1.880 2.889 15.053 13.284 1.133 [OK] 1962 12 E GLU C 1 C3H0s 0.770 1.610 2.278 8.362 8.631 0.969 [OK] 1963 12 E GLU O 16 O1H0u 0.660 1.420 2.594 16.098 15.765 1.021 [OK] 1964 12 E GLU CB 8 C4H2s 0.770 1.880 3.080 22.744 23.214 0.980 possible 1965 12 E GLU CG 8 C4H2s 0.770 1.880 4.932 36.689 23.304 1.574 possible 1966 12 E GLU CD 2 C3H0b 0.770 1.610 3.665 11.094 9.437 1.176 possible 1967 12 E GLU OE1 16 O1H0u 0.660 1.420 2.578 15.147 15.497 0.977 [OK] 1968 12 E GLU OE2 16 O1H0u 0.660 1.420 6.165 67.916 16.213 4.189 possible 1970 13 E ALA N 12 N3H1s 0.700 1.640 2.461 13.285 13.872 0.958 [OK] 1971 13 E ALA CA 4 C4H1b 0.770 1.880 2.928 15.536 13.959 1.113 [OK] 1972 13 E ALA C 1 C3H0s 0.770 1.610 2.411 8.243 8.858 0.931 [OK] 1973 13 E ALA O 16 O1H0u 0.660 1.420 2.339 15.521 16.026 0.968 [OK] 1974 13 E ALA CB 10 C4H3u 0.770 1.880 2.909 35.238 36.551 0.964 [OK] 1976 14 E ILE N 12 N3H1s 0.700 1.640 2.286 12.595 13.493 0.933 [OK] 1977 14 E ILE CA 3 C4H1s 0.770 1.880 2.734 13.372 12.946 1.033 [OK] 1978 14 E ILE C 1 C3H0s 0.770 1.610 2.707 8.086 8.445 0.958 [OK] 1979 14 E ILE O 16 O1H0u 0.660 1.420 2.824 15.852 15.930 0.995 [OK] 1980 14 E ILE CB 4 C4H1b 0.770 1.880 3.508 15.130 14.146 1.070 possible 1981 14 E ILE CG1 9 C4H2b 0.770 1.880 2.727 20.715 24.071 0.861 [OK] 1982 14 E ILE CG2 10 C4H3u 0.770 1.880 6.595 78.613 35.763 2.198 possible 1983 14 E ILE CD1 10 C4H3u 0.770 1.880 19.581 -1.000 38.219 -1.000 bad 1985 15 E ALA N 12 N3H1s 0.700 1.640 3.048 13.866 13.872 1.000 possible 1986 15 E ALA CA 4 C4H1b 0.770 1.880 3.232 16.772 13.959 1.202 possible 1987 15 E ALA C 1 C3H0s 0.770 1.610 2.172 8.385 8.858 0.947 [OK] 1988 15 E ALA O 16 O1H0u 0.660 1.420 2.342 15.563 16.026 0.971 [OK] 1989 15 E ALA CB 10 C4H3u 0.770 1.880 5.107 55.888 36.551 1.529 possible 1991 16 E VAL N 12 N3H1s 0.700 1.640 2.586 12.973 13.553 0.957 [OK] 1992 16 E VAL CA 3 C4H1s 0.770 1.880 2.482 11.782 13.078 0.901 [OK] 1993 16 E VAL C 1 C3H0s 0.770 1.610 2.496 7.349 8.528 0.862 [OK] 1994 16 E VAL O 16 O1H0u 0.660 1.420 2.553 15.325 15.998 0.958 [OK] 1995 16 E VAL CB 4 C4H1b 0.770 1.880 2.945 15.637 14.514 1.077 [OK] 1996 16 E VAL CG1 10 C4H3u 0.770 1.880 3.185 44.505 36.320 1.225 possible 1997 16 E VAL CG2 10 C4H3u 0.770 1.880 3.080 38.911 36.173 1.076 possible 1999 17 E HIS N 12 N3H1s 0.700 1.640 2.456 12.882 13.532 0.952 [OK] 2000 17 E HIS CA 3 C4H1s 0.770 1.880 2.819 13.209 13.335 0.991 [OK] 2001 17 E HIS C 1 C3H0s 0.770 1.610 2.204 8.024 8.760 0.916 [OK] 2002 17 E HIS O 16 O1H0u 0.660 1.420 2.619 14.763 15.855 0.931 [OK] 2003 17 E HIS CB 8 C4H2s 0.770 1.880 2.612 19.956 23.443 0.851 [OK] 2004 17 E HIS CG 2 C3H0b 0.770 1.610 2.377 8.642 9.870 0.876 [OK] 2005 17 E HIS ND1 13 N3H1b 0.700 1.640 2.760 16.662 15.483 1.076 [OK] 2006 17 E HIS CD2 5 C3H1s 0.770 1.760 2.984 21.441 20.938 1.024 [OK] 2007 17 E HIS CE1 5 C3H1s 0.770 1.760 2.938 18.497 20.491 0.903 [OK] 2008 17 E HIS NE2 13 N3H1b 0.700 1.640 3.003 16.751 15.758 1.063 possible 2012 18 E ASP N 12 N3H1s 0.700 1.640 2.142 11.812 13.654 0.865 [OK] 2013 18 E ASP CA 3 C4H1s 0.770 1.880 2.513 12.711 13.254 0.959 [OK] 2014 18 E ASP C 1 C3H0s 0.770 1.610 2.603 8.251 8.750 0.943 [OK] 2015 18 E ASP O 16 O1H0u 0.660 1.420 2.882 18.314 15.757 1.162 [OK] 2016 18 E ASP CB 8 C4H2s 0.770 1.880 3.273 23.433 23.022 1.018 possible 2017 18 E ASP CG 2 C3H0b 0.770 1.610 3.132 10.961 9.336 1.174 possible 2018 18 E ASP OD1 16 O1H0u 0.660 1.420 19.715 -1.000 15.078 -1.000 bad 2019 18 E ASP OD2 16 O1H0u 0.660 1.420 25.456 -1.000 15.582 -1.000 bad 2021 19 E GLN N 12 N3H1s 0.700 1.640 2.906 13.737 13.449 1.021 [OK] 2022 19 E GLN CA 3 C4H1s 0.770 1.880 3.959 17.546 13.231 1.326 possible 2023 19 E GLN C 1 C3H0s 0.770 1.610 2.183 8.309 8.744 0.950 [OK] 2024 19 E GLN O 16 O1H0u 0.660 1.420 2.292 14.336 15.767 0.909 [OK] 2025 19 E GLN CB 8 C4H2s 0.770 1.880 3.519 25.961 23.059 1.126 possible 2026 19 E GLN CG 8 C4H2s 0.770 1.880 2.878 20.897 23.218 0.900 [OK] 2027 19 E GLN CD 2 C3H0b 0.770 1.610 3.157 9.280 9.618 0.965 possible 2028 19 E GLN OE1 16 O1H0u 0.660 1.420 3.866 38.659 16.571 2.333 possible 2029 19 E GLN NE2 15 N3H2u 0.700 1.640 3.295 22.726 23.255 0.977 possible 2033 20 E PHE N 12 N3H1s 0.700 1.640 2.525 12.873 13.524 0.952 [OK] 2034 20 E PHE CA 3 C4H1s 0.770 1.880 2.663 13.746 13.371 1.028 [OK] 2035 20 E PHE C 1 C3H0s 0.770 1.610 2.232 7.624 8.697 0.877 [OK] 2036 20 E PHE O 16 O1H0u 0.660 1.420 2.281 14.332 15.961 0.898 [OK] 2037 20 E PHE CB 8 C4H2s 0.770 1.880 3.053 25.548 23.623 1.081 possible 2038 20 E PHE CG 2 C3H0b 0.770 1.610 2.667 10.183 9.684 1.052 [OK] 2039 20 E PHE CD1 5 C3H1s 0.770 1.760 2.945 17.197 20.325 0.846 [OK] 2040 20 E PHE CD2 6 C3H1b 0.770 1.760 3.036 21.898 20.948 1.045 possible 2041 20 E PHE CE1 6 C3H1b 0.770 1.760 2.932 20.932 21.532 0.972 [OK] 2042 20 E PHE CE2 6 C3H1b 0.770 1.760 3.168 22.263 21.625 1.030 possible 2043 20 E PHE CZ 6 C3H1b 0.770 1.760 2.978 22.753 21.555 1.056 [OK] 2045 21 E LYS N 12 N3H1s 0.700 1.640 2.825 13.264 13.429 0.988 [OK] 2046 21 E LYS CA 3 C4H1s 0.770 1.880 2.776 13.264 13.217 1.004 [OK] 2047 21 E LYS C 1 C3H0s 0.770 1.610 3.943 8.769 8.696 1.008 possible 2048 21 E LYS O 16 O1H0u 0.660 1.420 4.367 19.135 15.818 1.210 possible 2049 21 E LYS CB 8 C4H2s 0.770 1.880 4.411 24.959 22.578 1.105 possible 2050 21 E LYS CG 8 C4H2s 0.770 1.880 3.049 22.274 22.847 0.975 possible 2051 21 E LYS CD 8 C4H2s 0.770 1.880 6.580 46.219 23.365 1.978 possible 2052 21 E LYS CE 9 C4H2b 0.770 1.880 7.393 46.087 23.720 1.943 possible 2053 21 E LYS NZ 14 N4H3u 0.700 1.640 25.335 -1.000 21.413 -1.000 bad 2058 22 E THR N 12 N3H1s 0.700 1.640 3.454 13.774 13.544 1.017 possible 2059 22 E THR CA 3 C4H1s 0.770 1.880 4.858 20.532 13.025 1.576 possible 2060 22 E THR C 1 C3H0s 0.770 1.610 2.090 7.895 8.685 0.909 [OK] 2061 22 E THR O 16 O1H0u 0.660 1.420 5.384 22.937 15.795 1.452 possible 2062 22 E THR CB 4 C4H1b 0.770 1.880 3.136 13.848 14.687 0.943 possible 2063 22 E THR OG1 17 O2H1u 0.660 1.460 21.713 -1.000 17.610 -1.000 bad 2064 22 E THR CG2 10 C4H3u 0.770 1.880 29.827 -1.000 36.265 -1.000 bad 2067 23 E THR N 12 N3H1s 0.700 1.640 2.402 12.591 13.544 0.930 [OK] 2068 23 E THR CA 3 C4H1s 0.770 1.880 2.553 11.879 13.025 0.912 [OK] 2069 23 E THR C 1 C3H0s 0.770 1.610 2.217 8.032 8.685 0.925 [OK] 2070 23 E THR O 16 O1H0u 0.660 1.420 2.620 15.515 15.795 0.982 [OK] 2071 23 E THR CB 4 C4H1b 0.770 1.880 2.717 14.371 14.687 0.978 [OK] 2072 23 E THR OG1 17 O2H1u 0.660 1.460 2.297 15.065 17.610 0.855 [OK] 2073 23 E THR CG2 10 C4H3u 0.770 1.880 3.094 33.917 36.265 0.935 possible 2076 24 E PHE N 12 N3H1s 0.700 1.640 2.429 13.455 13.524 0.995 [OK] 2077 24 E PHE CA 3 C4H1s 0.770 1.880 2.844 14.406 13.371 1.077 [OK] 2078 24 E PHE C 1 C3H0s 0.770 1.610 2.346 7.926 8.697 0.911 [OK] 2079 24 E PHE O 16 O1H0u 0.660 1.420 2.492 14.975 15.961 0.938 [OK] 2080 24 E PHE CB 8 C4H2s 0.770 1.880 2.826 21.997 23.623 0.931 [OK] 2081 24 E PHE CG 2 C3H0b 0.770 1.610 2.624 9.512 9.684 0.982 [OK] 2082 24 E PHE CD1 5 C3H1s 0.770 1.760 2.832 19.763 20.325 0.972 [OK] 2083 24 E PHE CD2 6 C3H1b 0.770 1.760 3.746 22.927 20.948 1.094 possible 2084 24 E PHE CE1 6 C3H1b 0.770 1.760 2.948 24.981 21.532 1.160 [OK] 2085 24 E PHE CE2 6 C3H1b 0.770 1.760 3.839 25.631 21.625 1.185 possible 2086 24 E PHE CZ 6 C3H1b 0.770 1.760 3.048 21.073 21.555 0.978 possible 2088 25 E SER N 12 N3H1s 0.700 1.640 2.573 13.036 13.808 0.944 [OK] 2089 25 E SER CA 3 C4H1s 0.770 1.880 3.873 17.135 13.351 1.283 possible 2090 25 E SER C 1 C3H0s 0.770 1.610 4.128 9.107 8.858 1.028 possible 2091 25 E SER O 16 O1H0u 0.660 1.420 4.335 19.419 15.860 1.224 possible 2092 25 E SER CB 8 C4H2s 0.770 1.880 26.702 -1.000 23.599 -1.000 bad 2093 25 E SER OG 17 O2H1u 0.660 1.460 10.371 -1.000 18.021 -1.000 bad 2096 26 E ALA N 12 N3H1s 0.700 1.640 5.051 15.971 13.872 1.151 possible 2097 26 E ALA CA 4 C4H1b 0.770 1.880 5.591 23.413 13.959 1.677 possible 2098 26 E ALA C 1 C3H0s 0.770 1.610 2.744 8.905 8.858 1.005 [OK] 2099 26 E ALA O 16 O1H0u 0.660 1.420 2.643 16.780 16.026 1.047 [OK] 2100 26 E ALA CB 10 C4H3u 0.770 1.880 5.412 45.004 36.551 1.231 possible 2102 27 E PHE N 12 N3H1s 0.700 1.640 2.772 13.128 13.524 0.971 [OK] 2103 27 E PHE CA 3 C4H1s 0.770 1.880 3.284 17.904 13.371 1.339 possible 2104 27 E PHE C 1 C3H0s 0.770 1.610 2.511 8.121 8.697 0.934 [OK] 2105 27 E PHE O 16 O1H0u 0.660 1.420 2.786 16.409 15.961 1.028 [OK] 2106 27 E PHE CB 8 C4H2s 0.770 1.880 3.094 26.609 23.623 1.126 possible 2107 27 E PHE CG 2 C3H0b 0.770 1.610 2.761 10.393 9.684 1.073 [OK] 2108 27 E PHE CD1 5 C3H1s 0.770 1.760 3.111 27.615 20.325 1.359 possible 2109 27 E PHE CD2 6 C3H1b 0.770 1.760 2.794 23.009 20.948 1.098 [OK] 2110 27 E PHE CE1 6 C3H1b 0.770 1.760 3.109 24.718 21.532 1.148 possible 2111 27 E PHE CE2 6 C3H1b 0.770 1.760 2.870 22.023 21.625 1.018 [OK] 2112 27 E PHE CZ 6 C3H1b 0.770 1.760 3.039 24.149 21.555 1.120 possible 2114 28 E ILE N 12 N3H1s 0.700 1.640 2.468 12.797 13.493 0.948 [OK] 2115 28 E ILE CA 3 C4H1s 0.770 1.880 2.922 12.585 12.946 0.972 [OK] 2116 28 E ILE C 1 C3H0s 0.770 1.610 2.284 7.502 8.445 0.888 [OK] 2117 28 E ILE O 16 O1H0u 0.660 1.420 2.540 16.278 15.930 1.022 [OK] 2118 28 E ILE CB 4 C4H1b 0.770 1.880 4.213 18.709 14.146 1.323 possible 2119 28 E ILE CG1 9 C4H2b 0.770 1.880 4.097 28.526 24.071 1.185 possible 2120 28 E ILE CG2 10 C4H3u 0.770 1.880 4.548 42.135 35.763 1.178 possible 2121 28 E ILE CD1 10 C4H3u 0.770 1.880 3.148 39.543 38.219 1.035 possible 2123 29 E ILE N 12 N3H1s 0.700 1.640 2.476 13.177 13.493 0.977 [OK] 2124 29 E ILE CA 3 C4H1s 0.770 1.880 3.277 14.390 12.946 1.112 possible 2125 29 E ILE C 1 C3H0s 0.770 1.610 2.137 7.652 8.445 0.906 [OK] 2126 29 E ILE O 16 O1H0u 0.660 1.420 4.069 17.847 15.930 1.120 possible 2127 29 E ILE CB 4 C4H1b 0.770 1.880 7.778 -1.000 14.146 -1.000 bad 2128 29 E ILE CG1 9 C4H2b 0.770 1.880 7.350 39.174 24.071 1.627 possible 2129 29 E ILE CG2 10 C4H3u 0.770 1.880 31.005 -1.000 35.763 -1.000 bad 2130 29 E ILE CD1 10 C4H3u 0.770 1.880 34.434 -1.000 38.219 -1.000 bad 2132 30 E LEU N 12 N3H1s 0.700 1.640 2.211 11.814 13.517 0.874 [OK] 2133 30 E LEU CA 3 C4H1s 0.770 1.880 2.888 13.223 13.055 1.013 [OK] 2134 30 E LEU C 1 C3H0s 0.770 1.610 2.317 8.408 8.781 0.958 [OK] 2135 30 E LEU O 16 O1H0u 0.660 1.420 3.952 20.815 15.957 1.304 possible 2136 30 E LEU CB 8 C4H2s 0.770 1.880 3.648 26.741 22.818 1.172 possible 2137 30 E LEU CG 4 C4H1b 0.770 1.880 3.037 15.162 14.704 1.031 possible 2138 30 E LEU CD1 10 C4H3u 0.770 1.880 3.962 52.281 37.235 1.404 possible 2139 30 E LEU CD2 10 C4H3u 0.770 1.880 35.101 -1.000 37.020 -1.000 bad 2141 31 E ALA N 12 N3H1s 0.700 1.640 2.910 13.382 13.872 0.965 [OK] 2142 31 E ALA CA 4 C4H1b 0.770 1.880 2.755 13.984 13.959 1.002 [OK] 2143 31 E ALA C 1 C3H0s 0.770 1.610 2.589 8.745 8.858 0.987 [OK] 2144 31 E ALA O 16 O1H0u 0.660 1.420 2.443 14.709 16.026 0.918 [OK] 2145 31 E ALA CB 10 C4H3u 0.770 1.880 3.135 40.602 36.551 1.111 possible 2147 32 E ALA N 12 N3H1s 0.700 1.640 2.500 13.193 13.872 0.951 [OK] 2148 32 E ALA CA 4 C4H1b 0.770 1.880 3.218 16.196 13.959 1.160 possible 2149 32 E ALA C 1 C3H0s 0.770 1.610 3.627 9.167 8.858 1.035 possible 2150 32 E ALA O 16 O1H0u 0.660 1.420 2.918 17.800 16.026 1.111 [OK] 2151 32 E ALA CB 10 C4H3u 0.770 1.880 6.348 64.752 36.551 1.772 possible 2153 33 E VAL N 12 N3H1s 0.700 1.640 3.782 14.262 13.553 1.052 possible 2154 33 E VAL CA 3 C4H1s 0.770 1.880 3.757 17.196 13.078 1.315 possible 2155 33 E VAL C 1 C3H0s 0.770 1.610 2.508 7.679 8.528 0.900 [OK] 2156 33 E VAL O 16 O1H0u 0.660 1.420 3.025 15.951 15.998 0.997 possible 2157 33 E VAL CB 4 C4H1b 0.770 1.880 3.247 15.414 14.514 1.062 possible 2158 33 E VAL CG1 10 C4H3u 0.770 1.880 36.119 -1.000 36.320 -1.000 bad 2159 33 E VAL CG2 10 C4H3u 0.770 1.880 38.093 -1.000 36.173 -1.000 bad 2161 34 E ALA N 12 N3H1s 0.700 1.640 3.649 14.386 13.872 1.037 possible 2162 34 E ALA CA 4 C4H1b 0.770 1.880 3.958 17.179 13.959 1.231 possible 2163 34 E ALA C 1 C3H0s 0.770 1.610 2.138 7.875 8.858 0.889 [OK] 2164 34 E ALA O 16 O1H0u 0.660 1.420 2.344 16.730 16.026 1.044 [OK] 2165 34 E ALA CB 10 C4H3u 0.770 1.880 4.067 35.164 36.551 0.962 possible 2167 35 E HIS N 12 N3H1s 0.700 1.640 2.215 11.878 13.532 0.878 [OK] 2168 35 E HIS CA 3 C4H1s 0.770 1.880 3.282 14.924 13.335 1.119 possible 2169 35 E HIS C 1 C3H0s 0.770 1.610 2.353 8.354 8.760 0.954 [OK] 2170 35 E HIS O 16 O1H0u 0.660 1.420 2.510 14.347 15.855 0.905 [OK] 2171 35 E HIS CB 8 C4H2s 0.770 1.880 3.285 26.584 23.443 1.134 possible 2172 35 E HIS CG 2 C3H0b 0.770 1.610 3.004 10.315 9.870 1.045 possible 2173 35 E HIS ND1 13 N3H1b 0.700 1.640 2.629 14.384 15.483 0.929 [OK] 2174 35 E HIS CD2 5 C3H1s 0.770 1.760 3.167 21.794 20.938 1.041 possible 2175 35 E HIS CE1 5 C3H1s 0.770 1.760 2.798 18.433 20.491 0.900 [OK] 2176 35 E HIS NE2 13 N3H1b 0.700 1.640 2.578 12.470 15.758 0.791 [OK] 2180 36 E VAL N 12 N3H1s 0.700 1.640 2.593 12.476 13.553 0.921 [OK] 2181 36 E VAL CA 3 C4H1s 0.770 1.880 3.218 13.685 13.078 1.046 possible 2182 36 E VAL C 1 C3H0s 0.770 1.610 2.634 7.698 8.528 0.903 [OK] 2183 36 E VAL O 16 O1H0u 0.660 1.420 3.085 15.915 15.998 0.995 possible 2184 36 E VAL CB 4 C4H1b 0.770 1.880 3.859 16.031 14.514 1.104 possible 2185 36 E VAL CG1 10 C4H3u 0.770 1.880 38.420 -1.000 36.320 -1.000 bad 2186 36 E VAL CG2 10 C4H3u 0.770 1.880 25.370 -1.000 36.173 -1.000 bad 2188 37 E LEU N 12 N3H1s 0.700 1.640 2.693 13.379 13.517 0.990 [OK] 2189 37 E LEU CA 3 C4H1s 0.770 1.880 3.199 14.591 13.055 1.118 possible 2190 37 E LEU C 1 C3H0s 0.770 1.610 2.322 8.218 8.781 0.936 [OK] 2191 37 E LEU O 16 O1H0u 0.660 1.420 2.572 18.473 15.957 1.158 [OK] 2192 37 E LEU CB 8 C4H2s 0.770 1.880 3.605 25.344 22.818 1.111 possible 2193 37 E LEU CG 4 C4H1b 0.770 1.880 3.001 14.343 14.704 0.975 possible 2194 37 E LEU CD1 10 C4H3u 0.770 1.880 33.683 -1.000 37.235 -1.000 bad 2195 37 E LEU CD2 10 C4H3u 0.770 1.880 42.213 -1.000 37.020 -1.000 bad 2197 38 E VAL N 12 N3H1s 0.700 1.640 2.520 13.337 13.553 0.984 [OK] 2198 38 E VAL CA 3 C4H1s 0.770 1.880 2.849 14.442 13.078 1.104 [OK] 2199 38 E VAL C 1 C3H0s 0.770 1.610 2.567 7.719 8.528 0.905 [OK] 2200 38 E VAL O 16 O1H0u 0.660 1.420 2.524 14.883 15.998 0.930 [OK] 2201 38 E VAL CB 4 C4H1b 0.770 1.880 3.281 16.210 14.514 1.117 possible 2202 38 E VAL CG1 10 C4H3u 0.770 1.880 2.979 37.128 36.320 1.022 [OK] 2203 38 E VAL CG2 10 C4H3u 0.770 1.880 3.105 33.769 36.173 0.934 possible 2205 39 E TRP N 12 N3H1s 0.700 1.640 2.550 12.318 13.639 0.903 [OK] 2206 39 E TRP CA 3 C4H1s 0.770 1.880 2.811 14.138 13.323 1.061 [OK] 2207 39 E TRP C 1 C3H0s 0.770 1.610 2.238 7.649 8.687 0.881 [OK] 2208 39 E TRP O 16 O1H0u 0.660 1.420 5.070 22.593 15.797 1.430 possible 2209 39 E TRP CB 8 C4H2s 0.770 1.880 3.287 20.014 23.826 0.840 possible 2210 39 E TRP CG 2 C3H0b 0.770 1.610 2.375 9.121 9.915 0.920 [OK] 2211 39 E TRP CD1 5 C3H1s 0.770 1.760 6.834 44.946 20.597 2.182 possible 2212 39 E TRP CD2 2 C3H0b 0.770 1.610 2.374 9.618 10.068 0.955 [OK] 2213 39 E TRP NE1 13 N3H1b 0.700 1.640 24.290 -1.000 16.723 -1.000 bad 2214 39 E TRP CE2 2 C3H0b 0.770 1.610 3.483 10.608 9.848 1.077 possible 2215 39 E TRP CE3 6 C3H1b 0.770 1.760 2.461 16.315 20.383 0.800 [OK] 2216 39 E TRP CZ2 6 C3H1b 0.770 1.760 23.904 -1.000 20.931 -1.000 bad 2217 39 E TRP CZ3 6 C3H1b 0.770 1.760 2.848 20.006 21.429 0.934 [OK] 2218 39 E TRP CH2 6 C3H1b 0.770 1.760 6.181 -1.000 21.219 -1.000 bad 2221 40 E VAL N 12 N3H1s 0.700 1.640 2.826 12.627 13.553 0.932 [OK] 2222 40 E VAL CA 3 C4H1s 0.770 1.880 5.507 18.853 13.078 1.442 possible 2223 40 E VAL C 1 C3H0s 0.770 1.610 2.367 7.866 8.528 0.922 [OK] 2224 40 E VAL O 16 O1H0u 0.660 1.420 24.645 -1.000 15.998 -1.000 bad 2225 40 E VAL CB 4 C4H1b 0.770 1.880 3.241 14.027 14.514 0.966 possible 2226 40 E VAL CG1 10 C4H3u 0.770 1.880 28.889 -1.000 36.320 -1.000 bad 2227 40 E VAL CG2 10 C4H3u 0.770 1.880 45.806 -1.000 36.173 -1.000 bad 2229 41 E TRP N 12 N3H1s 0.700 1.640 2.528 12.354 13.639 0.906 [OK] 2230 41 E TRP CA 3 C4H1s 0.770 1.880 5.095 20.757 13.323 1.558 possible 2231 41 E TRP C 1 C3H0s 0.770 1.610 2.726 8.912 8.687 1.026 [OK] 2232 41 E TRP O 16 O1H0u 0.660 1.420 20.380 -1.000 15.797 -1.000 bad 2233 41 E TRP CB 8 C4H2s 0.770 1.880 3.578 25.990 23.826 1.091 possible 2234 41 E TRP CG 2 C3H0b 0.770 1.610 2.332 9.021 9.915 0.910 [OK] 2235 41 E TRP CD1 5 C3H1s 0.770 1.760 12.494 -1.000 20.597 -1.000 bad 2236 41 E TRP CD2 2 C3H0b 0.770 1.610 2.339 9.376 10.068 0.931 [OK] 2237 41 E TRP NE1 13 N3H1b 0.700 1.640 7.980 64.977 16.723 3.885 possible 2238 41 E TRP CE2 2 C3H0b 0.770 1.610 2.532 9.989 9.848 1.014 [OK] 2239 41 E TRP CE3 6 C3H1b 0.770 1.760 2.977 23.763 20.383 1.166 [OK] 2240 41 E TRP CZ2 6 C3H1b 0.770 1.760 4.258 31.822 20.931 1.520 possible 2241 41 E TRP CZ3 6 C3H1b 0.770 1.760 3.044 25.178 21.429 1.175 possible 2242 41 E TRP CH2 6 C3H1b 0.770 1.760 3.038 26.229 21.219 1.236 possible 2245 42 E LYS N 12 N3H1s 0.700 1.640 2.556 13.625 13.429 1.015 [OK] 2246 42 E LYS CA 3 C4H1s 0.770 1.880 4.478 15.055 13.217 1.139 possible 2247 42 E LYS C 1 C3H0s 0.770 1.610 2.446 8.762 8.696 1.008 [OK] 2248 42 E LYS O 16 O1H0u 0.660 1.420 2.538 18.257 15.818 1.154 [OK] 2249 42 E LYS CB 8 C4H2s 0.770 1.880 3.064 23.209 22.578 1.028 possible 2250 42 E LYS CG 8 C4H2s 0.770 1.880 6.417 53.978 22.847 2.363 possible 2251 42 E LYS CD 8 C4H2s 0.770 1.880 4.646 29.551 23.365 1.265 possible 2252 42 E LYS CE 9 C4H2b 0.770 1.880 3.076 26.358 23.720 1.111 possible 2253 42 E LYS NZ 14 N4H3u 0.700 1.640 28.399 -1.000 21.413 -1.000 bad 2258 43 E PRO N 11 N3H0u 0.700 1.640 2.905 8.502 8.650 0.983 [OK] 2259 43 E PRO CA 4 C4H1b 0.770 1.880 2.599 13.716 13.828 0.992 [OK] 2260 43 E PRO C 1 C3H0s 0.770 1.610 2.352 8.197 8.768 0.935 [OK] 2261 43 E PRO O 16 O1H0u 0.660 1.420 7.995 85.860 15.856 5.415 possible 2262 43 E PRO CB 9 C4H2b 0.770 1.880 4.215 26.996 25.314 1.066 possible 2263 43 E PRO CG 9 C4H2b 0.770 1.880 36.075 -1.000 25.480 -1.000 bad 2264 43 E PRO CD 8 C4H2s 0.770 1.880 16.804 -1.000 23.390 -1.000 bad 2265 44 E TRP N 12 N3H1s 0.700 1.640 2.531 13.105 13.639 0.961 [OK] 2266 44 E TRP CA 3 C4H1s 0.770 1.880 4.894 19.670 13.323 1.476 possible 2267 44 E TRP C 1 C3H0s 0.770 1.610 4.363 12.856 8.687 1.480 possible 2268 44 E TRP O 16 O1H0u 0.660 1.420 5.450 45.248 15.797 2.864 possible 2269 44 E TRP CB 8 C4H2s 0.770 1.880 5.583 37.598 23.826 1.578 possible 2270 44 E TRP CG 2 C3H0b 0.770 1.610 2.303 9.238 9.915 0.932 [OK] 2271 44 E TRP CD1 5 C3H1s 0.770 1.760 4.026 23.508 20.597 1.141 possible 2272 44 E TRP CD2 2 C3H0b 0.770 1.610 2.186 8.867 10.068 0.881 [OK] 2273 44 E TRP NE1 13 N3H1b 0.700 1.640 2.634 15.033 16.723 0.899 [OK] 2274 44 E TRP CE2 2 C3H0b 0.770 1.610 2.408 8.778 9.848 0.891 [OK] 2275 44 E TRP CE3 6 C3H1b 0.770 1.760 2.722 19.881 20.383 0.975 [OK] 2276 44 E TRP CZ2 6 C3H1b 0.770 1.760 2.670 18.855 20.931 0.901 [OK] 2277 44 E TRP CZ3 6 C3H1b 0.770 1.760 3.138 19.020 21.429 0.888 possible 2278 44 E TRP CH2 6 C3H1b 0.770 1.760 3.140 20.101 21.219 0.947 possible 2281 45 E PHE N 12 N3H1s 0.700 1.640 3.583 14.614 13.524 1.081 possible 2282 45 E PHE CA 3 C4H1s 0.770 1.880 3.458 13.960 13.371 1.044 possible 2283 45 E PHE C 1 C3H0s 0.770 1.610 4.484 13.985 8.697 1.608 possible 2284 45 E PHE O 16 O1H0u 0.660 1.420 17.987 -1.000 15.961 -1.000 bad 2285 45 E PHE CB 8 C4H2s 0.770 1.880 15.052 -1.000 23.623 -1.000 bad 2286 45 E PHE CG 2 C3H0b 0.770 1.610 0.553 -1.000 9.684 -1.000 bad 2287 45 E PHE CD1 5 C3H1s 0.770 1.760 11.171 -1.000 20.325 -1.000 bad 2288 45 E PHE CD2 6 C3H1b 0.770 1.760 8.750 -1.000 20.948 -1.000 bad 2289 45 E PHE CE1 6 C3H1b 0.770 1.760 26.766 -1.000 21.532 -1.000 bad 2290 45 E PHE CE2 6 C3H1b 0.770 1.760 8.607 -1.000 21.625 -1.000 bad 2291 45 E PHE CZ 6 C3H1b 0.770 1.760 20.420 -1.000 21.555 -1.000 bad 2292 45 E PHE OXT 16 O1H0u 0.660 1.420 34.976 -1.000 1.420 -1.000 bad 2295 57 f BCL MG f 25 DEFAULT 0.770 1.800 2.566 15.154 1.800 8.419 [OK] 2296 57 f BCL CHA 9 C4H2b 0.770 1.880 2.503 10.531 1.880 5.602 [OK] 2297 57 f BCL CHB 9 C4H2b 0.770 1.880 2.793 20.038 1.880 10.658 [OK] 2298 57 f BCL CHC 9 C4H2b 0.770 1.880 2.907 15.173 1.880 8.071 [OK] 2299 57 f BCL CHD 9 C4H2b 0.770 1.880 2.930 20.709 1.880 11.016 [OK] 2300 57 f BCL N A 14 N4H3u 0.700 1.640 2.451 10.689 1.640 6.517 [OK] 2301 57 f BCL C1A 9 C4H2b 0.770 1.880 2.581 11.133 1.880 5.922 [OK] 2302 57 f BCL C2A 9 C4H2b 0.770 1.880 2.712 13.243 1.880 7.044 [OK] 2303 57 f BCL C3A 9 C4H2b 0.770 1.880 2.672 12.919 1.880 6.872 [OK] 2304 57 f BCL C4A 9 C4H2b 0.770 1.880 2.655 10.869 1.880 5.781 [OK] 2305 57 f BCL CMA 9 C4H2b 0.770 1.880 3.199 41.363 1.880 22.002 possible 2306 57 f BCL CAA 9 C4H2b 0.770 1.880 3.147 22.917 1.880 12.190 possible 2307 57 f BCL CBA 9 C4H2b 0.770 1.880 3.193 27.563 1.880 14.661 possible 2308 57 f BCL CGA 9 C4H2b 0.770 1.880 3.202 11.793 1.880 6.273 possible 2309 57 f BCL O1A 17 O2H1u 0.660 1.460 2.622 17.300 1.460 11.849 [OK] 2310 57 f BCL O2A 17 O2H1u 0.660 1.460 2.764 17.628 1.460 12.074 [OK] 2311 57 f BCL N B 14 N4H3u 0.700 1.640 2.732 11.244 1.640 6.856 [OK] 2312 57 f BCL C1B 9 C4H2b 0.770 1.880 2.555 11.027 1.880 5.865 [OK] 2313 57 f BCL C2B 9 C4H2b 0.770 1.880 2.572 10.756 1.880 5.721 [OK] 2314 57 f BCL C3B 9 C4H2b 0.770 1.880 2.756 12.407 1.880 6.600 [OK] 2315 57 f BCL C4B 9 C4H2b 0.770 1.880 2.935 11.506 1.880 6.120 [OK] 2316 57 f BCL CMB 9 C4H2b 0.770 1.880 3.313 33.933 1.880 18.049 possible 2317 57 f BCL CAB 9 C4H2b 0.770 1.880 2.565 10.154 1.880 5.401 [OK] 2318 57 f BCL OBB 17 O2H1u 0.660 1.460 2.514 12.309 1.460 8.431 [OK] 2319 57 f BCL CBB 9 C4H2b 0.770 1.880 3.265 36.000 1.880 19.149 possible 2320 57 f BCL N C 14 N4H3u 0.700 1.640 2.640 12.690 1.640 7.738 [OK] 2321 57 f BCL C1C 9 C4H2b 0.770 1.880 2.858 11.938 1.880 6.350 [OK] 2322 57 f BCL C2C 9 C4H2b 0.770 1.880 2.661 12.684 1.880 6.747 [OK] 2323 57 f BCL C3C 9 C4H2b 0.770 1.880 3.019 13.161 1.880 7.001 possible 2324 57 f BCL C4C 9 C4H2b 0.770 1.880 2.747 10.606 1.880 5.641 [OK] 2325 57 f BCL CMC 9 C4H2b 0.770 1.880 3.149 35.508 1.880 18.887 possible 2326 57 f BCL CAC 9 C4H2b 0.770 1.880 3.207 27.711 1.880 14.740 possible 2327 57 f BCL CBC 9 C4H2b 0.770 1.880 3.128 41.299 1.880 21.968 possible 2328 57 f BCL N D 14 N4H3u 0.700 1.640 2.339 10.673 1.640 6.508 [OK] 2329 57 f BCL C1D 9 C4H2b 0.770 1.880 2.747 10.755 1.880 5.721 [OK] 2330 57 f BCL C2D 9 C4H2b 0.770 1.880 2.846 10.756 1.880 5.722 [OK] 2331 57 f BCL C3D 9 C4H2b 0.770 1.880 2.481 10.588 1.880 5.632 [OK] 2332 57 f BCL C4D 9 C4H2b 0.770 1.880 2.605 11.043 1.880 5.874 [OK] 2333 57 f BCL CMD 9 C4H2b 0.770 1.880 3.287 34.772 1.880 18.496 possible 2334 57 f BCL CAD 9 C4H2b 0.770 1.880 2.393 9.566 1.880 5.088 [OK] 2335 57 f BCL OBD 17 O2H1u 0.660 1.460 2.719 18.063 1.460 12.372 [OK] 2336 57 f BCL CBD 9 C4H2b 0.770 1.880 3.196 14.109 1.880 7.505 possible 2337 57 f BCL CGD 9 C4H2b 0.770 1.880 2.408 9.524 1.880 5.066 [OK] 2338 57 f BCL O1D 17 O2H1u 0.660 1.460 2.835 23.624 1.460 16.181 [OK] 2339 57 f BCL O2D 17 O2H1u 0.660 1.460 2.421 13.262 1.460 9.083 [OK] 2340 57 f BCL CED 9 C4H2b 0.770 1.880 4.561 48.480 1.880 25.787 possible 2341 57 f BCL C1 9 C4H2b 0.770 1.880 3.000 21.289 1.880 11.324 possible 2342 57 f BCL C2 9 C4H2b 0.770 1.880 3.074 20.322 1.880 10.809 possible 2343 57 f BCL C3 9 C4H2b 0.770 1.880 3.091 12.108 1.880 6.441 possible 2344 57 f BCL C4 9 C4H2b 0.770 1.880 3.031 34.563 1.880 18.385 possible 2345 57 f BCL C5 9 C4H2b 0.770 1.880 2.984 22.574 1.880 12.008 [OK] 2346 57 f BCL C6 9 C4H2b 0.770 1.880 2.918 20.904 1.880 11.119 [OK] 2347 57 f BCL C7 9 C4H2b 0.770 1.880 3.508 29.859 1.880 15.882 possible 2348 57 f BCL C8 9 C4H2b 0.770 1.880 3.517 17.312 1.880 9.208 possible 2349 57 f BCL C9 9 C4H2b 0.770 1.880 2.952 36.622 1.880 19.480 [OK] 2350 57 f BCL C10 9 C4H2b 0.770 1.880 3.063 26.622 1.880 14.161 possible 2351 57 f BCL C11 9 C4H2b 0.770 1.880 3.094 24.599 1.880 13.085 possible 2352 57 f BCL C12 9 C4H2b 0.770 1.880 3.284 24.641 1.880 13.107 possible 2353 57 f BCL C13 9 C4H2b 0.770 1.880 3.030 15.075 1.880 8.018 possible 2354 57 f BCL C14 9 C4H2b 0.770 1.880 3.120 35.486 1.880 18.875 possible 2355 57 f BCL C15 9 C4H2b 0.770 1.880 3.758 27.028 1.880 14.376 possible 2356 57 f BCL C16 9 C4H2b 0.770 1.880 2.798 21.344 1.880 11.353 [OK] 2357 57 f BCL C17 9 C4H2b 0.770 1.880 2.605 18.791 1.880 9.995 [OK] 2358 57 f BCL C18 9 C4H2b 0.770 1.880 3.809 16.536 1.880 8.796 possible 2359 57 f BCL C19 9 C4H2b 0.770 1.880 32.689 -1.000 1.880 -1.000 bad 2360 57 f BCL C20 9 C4H2b 0.770 1.880 15.312 -1.000 1.880 -1.000 bad 2361 58 f BCL MG f 25 DEFAULT 0.770 1.800 2.987 16.118 1.800 8.954 [OK] 2362 58 f BCL CHA 9 C4H2b 0.770 1.880 2.643 10.111 1.880 5.378 [OK] 2363 58 f BCL CHB 9 C4H2b 0.770 1.880 5.389 41.843 1.880 22.257 possible 2364 58 f BCL CHC 9 C4H2b 0.770 1.880 4.431 22.148 1.880 11.781 possible 2365 58 f BCL CHD 9 C4H2b 0.770 1.880 2.867 22.050 1.880 11.729 [OK] 2366 58 f BCL N A 14 N4H3u 0.700 1.640 2.628 11.926 1.640 7.272 [OK] 2367 58 f BCL C1A 9 C4H2b 0.770 1.880 2.739 10.534 1.880 5.603 [OK] 2368 58 f BCL C2A 9 C4H2b 0.770 1.880 3.411 13.641 1.880 7.256 possible 2369 58 f BCL C3A 9 C4H2b 0.770 1.880 7.952 35.172 1.880 18.709 possible 2370 58 f BCL C4A 9 C4H2b 0.770 1.880 3.491 11.902 1.880 6.331 possible 2371 58 f BCL CMA 9 C4H2b 0.770 1.880 35.579 -1.000 1.880 -1.000 bad 2372 58 f BCL CAA 9 C4H2b 0.770 1.880 3.769 25.521 1.880 13.575 possible 2373 58 f BCL CBA 9 C4H2b 0.770 1.880 6.547 62.594 1.880 33.295 possible 2374 58 f BCL CGA 9 C4H2b 0.770 1.880 5.354 13.940 1.880 7.415 possible 2375 58 f BCL O1A 17 O2H1u 0.660 1.460 6.649 48.373 1.460 33.133 possible 2376 58 f BCL O2A 17 O2H1u 0.660 1.460 3.706 21.202 1.460 14.522 possible 2377 58 f BCL N B 14 N4H3u 0.700 1.640 3.572 13.085 1.640 7.979 possible 2378 58 f BCL C1B 9 C4H2b 0.770 1.880 4.466 14.610 1.880 7.771 possible 2379 58 f BCL C2B 9 C4H2b 0.770 1.880 5.779 18.512 1.880 9.847 possible 2380 58 f BCL C3B 9 C4H2b 0.770 1.880 4.553 10.902 1.880 5.799 possible 2381 58 f BCL C4B 9 C4H2b 0.770 1.880 4.610 13.987 1.880 7.440 possible 2382 58 f BCL CMB 9 C4H2b 0.770 1.880 49.726 -1.000 1.880 -1.000 bad 2383 58 f BCL CAB 9 C4H2b 0.770 1.880 10.735 -1.000 1.880 -1.000 bad 2384 58 f BCL OBB 17 O2H1u 0.660 1.460 12.192 -1.000 1.460 -1.000 bad 2385 58 f BCL CBB 9 C4H2b 0.770 1.880 57.730 -1.000 1.880 -1.000 bad 2386 58 f BCL N C 14 N4H3u 0.700 1.640 2.901 11.408 1.640 6.956 [OK] 2387 58 f BCL C1C 9 C4H2b 0.770 1.880 3.115 10.685 1.880 5.683 possible 2388 58 f BCL C2C 9 C4H2b 0.770 1.880 8.283 -1.000 1.880 -1.000 bad 2389 58 f BCL C3C 9 C4H2b 0.770 1.880 2.845 14.163 1.880 7.533 [OK] 2390 58 f BCL C4C 9 C4H2b 0.770 1.880 2.722 10.954 1.880 5.827 [OK] 2391 58 f BCL CMC 9 C4H2b 0.770 1.880 20.459 -1.000 1.880 -1.000 bad 2392 58 f BCL CAC 9 C4H2b 0.770 1.880 11.427 -1.000 1.880 -1.000 bad 2393 58 f BCL CBC 9 C4H2b 0.770 1.880 32.130 -1.000 1.880 -1.000 bad 2394 58 f BCL N D 14 N4H3u 0.700 1.640 2.394 10.856 1.640 6.620 [OK] 2395 58 f BCL C1D 9 C4H2b 0.770 1.880 2.566 10.436 1.880 5.551 [OK] 2396 58 f BCL C2D 9 C4H2b 0.770 1.880 2.474 10.072 1.880 5.357 [OK] 2397 58 f BCL C3D 9 C4H2b 0.770 1.880 2.663 11.984 1.880 6.375 [OK] 2398 58 f BCL C4D 9 C4H2b 0.770 1.880 2.415 10.213 1.880 5.432 [OK] 2399 58 f BCL CMD 9 C4H2b 0.770 1.880 3.008 32.491 1.880 17.283 possible 2400 58 f BCL CAD 9 C4H2b 0.770 1.880 2.810 11.608 1.880 6.174 [OK] 2401 58 f BCL OBD 17 O2H1u 0.660 1.460 2.647 17.644 1.460 12.085 [OK] 2402 58 f BCL CBD 9 C4H2b 0.770 1.880 2.768 14.429 1.880 7.675 [OK] 2403 58 f BCL CGD 9 C4H2b 0.770 1.880 2.655 10.032 1.880 5.336 [OK] 2404 58 f BCL O1D 17 O2H1u 0.660 1.460 4.571 24.018 1.460 16.450 possible 2405 58 f BCL O2D 17 O2H1u 0.660 1.460 3.585 18.276 1.460 12.518 possible 2406 58 f BCL CED 9 C4H2b 0.770 1.880 33.824 -1.000 1.880 -1.000 bad 2407 58 f BCL C1 9 C4H2b 0.770 1.880 21.511 -1.000 1.880 -1.000 bad 2408 58 f BCL C2 9 C4H2b 0.770 1.880 9.813 -1.000 1.880 -1.000 bad 2409 58 f BCL C3 9 C4H2b 0.770 1.880 3.280 -1.000 1.880 -1.000 bad 2410 58 f BCL C4 9 C4H2b 0.770 1.880 24.175 -1.000 1.880 -1.000 bad 2411 58 f BCL C5 9 C4H2b 0.770 1.880 5.108 -1.000 1.880 -1.000 bad 2412 58 f BCL C6 9 C4H2b 0.770 1.880 18.915 -1.000 1.880 -1.000 bad 2413 58 f BCL C7 9 C4H2b 0.770 1.880 6.500 37.953 1.880 20.188 possible 2414 58 f BCL C8 9 C4H2b 0.770 1.880 35.584 -1.000 1.880 -1.000 bad 2415 58 f BCL C9 9 C4H2b 0.770 1.880 23.225 -1.000 1.880 -1.000 bad 2416 59 f BCL MG f 25 DEFAULT 0.770 1.800 3.797 18.779 1.800 10.433 possible 2417 59 f BCL CHA 9 C4H2b 0.770 1.880 2.903 10.789 1.880 5.739 [OK] 2418 59 f BCL CHB 9 C4H2b 0.770 1.880 4.174 31.412 1.880 16.708 possible 2419 59 f BCL CHC 9 C4H2b 0.770 1.880 4.340 19.516 1.880 10.381 possible 2420 59 f BCL CHD 9 C4H2b 0.770 1.880 2.973 22.141 1.880 11.777 [OK] 2421 59 f BCL N A 14 N4H3u 0.700 1.640 3.599 14.017 1.640 8.547 possible 2422 59 f BCL C1A 9 C4H2b 0.770 1.880 3.289 12.117 1.880 6.445 possible 2423 59 f BCL C2A 9 C4H2b 0.770 1.880 2.788 12.459 1.880 6.627 [OK] 2424 59 f BCL C3A 9 C4H2b 0.770 1.880 2.982 14.152 1.880 7.528 [OK] 2425 59 f BCL C4A 9 C4H2b 0.770 1.880 3.862 13.105 1.880 6.971 possible 2426 59 f BCL CMA 9 C4H2b 0.770 1.880 4.824 57.894 1.880 30.794 possible 2427 59 f BCL CAA 9 C4H2b 0.770 1.880 3.175 25.147 1.880 13.376 possible 2428 59 f BCL CBA 9 C4H2b 0.770 1.880 2.981 24.075 1.880 12.806 [OK] 2429 59 f BCL CGA 9 C4H2b 0.770 1.880 2.643 10.169 1.880 5.409 [OK] 2430 59 f BCL O1A 17 O2H1u 0.660 1.460 2.502 17.123 1.460 11.728 [OK] 2431 59 f BCL O2A 17 O2H1u 0.660 1.460 2.588 14.104 1.460 9.660 [OK] 2432 59 f BCL N B 14 N4H3u 0.700 1.640 3.800 14.923 1.640 9.100 possible 2433 59 f BCL C1B 9 C4H2b 0.770 1.880 4.147 15.851 1.880 8.431 possible 2434 59 f BCL C2B 9 C4H2b 0.770 1.880 4.641 14.863 1.880 7.906 possible 2435 59 f BCL C3B 9 C4H2b 0.770 1.880 4.920 21.528 1.880 11.451 possible 2436 59 f BCL C4B 9 C4H2b 0.770 1.880 4.362 15.639 1.880 8.319 possible 2437 59 f BCL CMB 9 C4H2b 0.770 1.880 40.940 -1.000 1.880 -1.000 bad 2438 59 f BCL CAB 9 C4H2b 0.770 1.880 3.877 14.962 1.880 7.959 possible 2439 59 f BCL OBB 17 O2H1u 0.660 1.460 2.548 13.578 1.460 9.300 [OK] 2440 59 f BCL CBB 9 C4H2b 0.770 1.880 36.860 -1.000 1.880 -1.000 bad 2441 59 f BCL N C 14 N4H3u 0.700 1.640 3.759 14.464 1.640 8.820 possible 2442 59 f BCL C1C 9 C4H2b 0.770 1.880 4.032 12.673 1.880 6.741 possible 2443 59 f BCL C2C 9 C4H2b 0.770 1.880 2.551 12.489 1.880 6.643 [OK] 2444 59 f BCL C3C 9 C4H2b 0.770 1.880 3.282 14.131 1.880 7.516 possible 2445 59 f BCL C4C 9 C4H2b 0.770 1.880 3.347 13.129 1.880 6.983 possible 2446 59 f BCL CMC 9 C4H2b 0.770 1.880 7.325 121.199 1.880 64.468 possible 2447 59 f BCL CAC 9 C4H2b 0.770 1.880 3.283 27.589 1.880 14.675 possible 2448 59 f BCL CBC 9 C4H2b 0.770 1.880 3.730 40.123 1.880 21.342 possible 2449 59 f BCL N D 14 N4H3u 0.700 1.640 2.813 10.691 1.640 6.519 [OK] 2450 59 f BCL C1D 9 C4H2b 0.770 1.880 2.486 9.642 1.880 5.129 [OK] 2451 59 f BCL C2D 9 C4H2b 0.770 1.880 2.727 10.155 1.880 5.401 [OK] 2452 59 f BCL C3D 9 C4H2b 0.770 1.880 2.854 11.509 1.880 6.122 [OK] 2453 59 f BCL C4D 9 C4H2b 0.770 1.880 3.013 11.432 1.880 6.081 possible 2454 59 f BCL CMD 9 C4H2b 0.770 1.880 3.274 34.341 1.880 18.266 possible 2455 59 f BCL CAD 9 C4H2b 0.770 1.880 2.715 10.197 1.880 5.424 [OK] 2456 59 f BCL OBD 17 O2H1u 0.660 1.460 2.683 17.848 1.460 12.225 [OK] 2457 59 f BCL CBD 9 C4H2b 0.770 1.880 3.156 14.617 1.880 7.775 possible 2458 59 f BCL CGD 9 C4H2b 0.770 1.880 2.394 9.717 1.880 5.169 [OK] 2459 59 f BCL O1D 17 O2H1u 0.660 1.460 2.881 19.875 1.460 13.613 [OK] 2460 59 f BCL O2D 17 O2H1u 0.660 1.460 2.731 17.157 1.460 11.751 [OK] 2461 59 f BCL CED 9 C4H2b 0.770 1.880 3.021 37.720 1.880 20.064 possible 2462 59 f BCL C1 9 C4H2b 0.770 1.880 2.969 23.456 1.880 12.477 [OK] 2463 59 f BCL C2 9 C4H2b 0.770 1.880 3.159 23.888 1.880 12.707 possible 2464 59 f BCL C3 9 C4H2b 0.770 1.880 3.078 11.678 1.880 6.212 possible 2465 59 f BCL C4 9 C4H2b 0.770 1.880 4.436 54.848 1.880 29.174 possible 2466 59 f BCL C5 9 C4H2b 0.770 1.880 2.994 20.560 1.880 10.936 [OK] 2467 59 f BCL C6 9 C4H2b 0.770 1.880 4.238 33.393 1.880 17.762 possible 2468 59 f BCL C7 9 C4H2b 0.770 1.880 3.328 24.631 1.880 13.102 possible 2469 59 f BCL C8 9 C4H2b 0.770 1.880 4.407 20.043 1.880 10.661 possible 2470 59 f BCL C9 9 C4H2b 0.770 1.880 4.959 60.515 1.880 32.189 possible 2471 59 f BCL C10 9 C4H2b 0.770 1.880 3.002 24.458 1.880 13.009 possible 2472 59 f BCL C11 9 C4H2b 0.770 1.880 2.954 20.600 1.880 10.958 [OK] 2473 59 f BCL C12 9 C4H2b 0.770 1.880 3.783 28.096 1.880 14.945 possible 2474 59 f BCL C13 9 C4H2b 0.770 1.880 3.652 17.513 1.880 9.315 possible 2475 59 f BCL C14 9 C4H2b 0.770 1.880 3.951 45.824 1.880 24.374 possible 2476 59 f BCL C15 9 C4H2b 0.770 1.880 5.263 37.773 1.880 20.092 possible 2477 59 f BCL C16 9 C4H2b 0.770 1.880 5.122 34.407 1.880 18.302 possible 2478 59 f BCL C17 9 C4H2b 0.770 1.880 7.234 48.329 1.880 25.707 possible 2479 59 f BCL C18 9 C4H2b 0.770 1.880 3.387 19.978 1.880 10.627 possible 2480 59 f BCL C19 9 C4H2b 0.770 1.880 39.960 -1.000 1.880 -1.000 bad 2481 59 f BCL C20 9 C4H2b 0.770 1.880 34.996 -1.000 1.880 -1.000 bad 2482 97 f LYC C1 9 C4H2b 0.770 1.880 5.541 55.143 1.880 29.331 possible 2483 97 f LYC C2 9 C4H2b 0.770 1.880 4.318 17.930 1.880 9.537 possible 2484 97 f LYC C3 9 C4H2b 0.770 1.880 6.057 80.614 1.880 42.880 possible 2485 97 f LYC C4 9 C4H2b 0.770 1.880 4.298 27.950 1.880 14.867 possible 2486 97 f LYC C5 9 C4H2b 0.770 1.880 4.254 32.956 1.880 17.530 possible 2487 97 f LYC C6 9 C4H2b 0.770 1.880 3.003 21.275 1.880 11.317 possible 2488 97 f LYC C7 9 C4H2b 0.770 1.880 2.864 11.033 1.880 5.869 [OK] 2489 97 f LYC C8 9 C4H2b 0.770 1.880 3.828 42.898 1.880 22.818 possible 2490 97 f LYC C9 9 C4H2b 0.770 1.880 3.143 23.039 1.880 12.255 possible 2491 97 f LYC C10 9 C4H2b 0.770 1.880 2.929 18.772 1.880 9.985 [OK] 2492 97 f LYC C11 9 C4H2b 0.770 1.880 3.170 23.481 1.880 12.490 possible 2493 97 f LYC C12 9 C4H2b 0.770 1.880 2.770 12.057 1.880 6.413 [OK] 2494 97 f LYC C13 9 C4H2b 0.770 1.880 2.857 29.339 1.880 15.606 [OK] 2495 97 f LYC C14 9 C4H2b 0.770 1.880 2.898 20.934 1.880 11.135 [OK] 2496 97 f LYC C15 9 C4H2b 0.770 1.880 2.952 20.743 1.880 11.033 [OK] 2497 97 f LYC C16 9 C4H2b 0.770 1.880 2.836 21.484 1.880 11.428 [OK] 2498 97 f LYC C17 9 C4H2b 0.770 1.880 2.618 11.392 1.880 6.059 [OK] 2499 97 f LYC C18 9 C4H2b 0.770 1.880 3.094 38.730 1.880 20.601 possible 2500 97 f LYC C19 9 C4H2b 0.770 1.880 2.771 20.174 1.880 10.731 [OK] 2501 97 f LYC C20 9 C4H2b 0.770 1.880 2.865 19.774 1.880 10.518 [OK] 2502 97 f LYC C21 9 C4H2b 0.770 1.880 3.056 20.239 1.880 10.765 possible 2503 97 f LYC C50 9 C4H2b 0.770 1.880 3.016 22.606 1.880 12.025 possible 2504 97 f LYC C51 9 C4H2b 0.770 1.880 2.960 12.971 1.880 6.899 [OK] 2505 97 f LYC C52 9 C4H2b 0.770 1.880 3.496 43.723 1.880 23.257 possible 2506 97 f LYC C53 9 C4H2b 0.770 1.880 3.047 22.157 1.880 11.786 possible 2507 97 f LYC C54 9 C4H2b 0.770 1.880 3.332 26.475 1.880 14.082 possible 2508 97 f LYC C55 9 C4H2b 0.770 1.880 2.930 22.777 1.880 12.116 [OK] 2509 97 f LYC C56 9 C4H2b 0.770 1.880 3.076 12.096 1.880 6.434 possible 2510 97 f LYC C57 9 C4H2b 0.770 1.880 6.713 89.731 1.880 47.729 possible 2511 97 f LYC C58 9 C4H2b 0.770 1.880 4.350 27.244 1.880 14.492 possible 2512 97 f LYC C59 9 C4H2b 0.770 1.880 4.516 28.220 1.880 15.011 possible 2513 97 f LYC C60 9 C4H2b 0.770 1.880 5.467 40.465 1.880 21.524 possible 2514 97 f LYC C61 9 C4H2b 0.770 1.880 7.267 19.285 1.880 10.258 possible 2515 97 f LYC C62 9 C4H2b 0.770 1.880 58.611 -1.000 1.880 -1.000 bad 2516 97 f LYC C63 9 C4H2b 0.770 1.880 26.873 -1.000 1.880 -1.000 bad 2517 97 f LYC C64 9 C4H2b 0.770 1.880 6.130 40.909 1.880 21.760 possible 2518 97 f LYC C65 9 C4H2b 0.770 1.880 14.503 -1.000 1.880 -1.000 bad 2519 97 f LYC C66 9 C4H2b 0.770 1.880 4.817 -1.000 1.880 -1.000 bad 2520 97 f LYC C67 9 C4H2b 0.770 1.880 43.275 -1.000 1.880 -1.000 bad 2521 97 f LYC C68 9 C4H2b 0.770 1.880 27.749 -1.000 1.880 -1.000 bad 2578 75 f DET N 14 N4H3u 0.700 1.640 2.109 4.673 1.640 2.850 [OK] 2579 75 f DET O 17 O2H1u 0.660 1.460 5.592 37.534 1.460 25.709 possible 2580 75 f DET CM1 9 C4H2b 0.770 1.880 55.749 -1.000 1.880 -1.000 bad 2581 75 f DET CM2 9 C4H2b 0.770 1.880 7.254 54.030 1.880 28.739 possible 2582 75 f DET C1 9 C4H2b 0.770 1.880 26.204 -1.000 1.880 -1.000 bad 2583 75 f DET C2 9 C4H2b 0.770 1.880 4.547 25.031 1.880 13.315 possible 2584 75 f DET C3 9 C4H2b 0.770 1.880 20.407 -1.000 1.880 -1.000 bad 2585 75 f DET C4 9 C4H2b 0.770 1.880 3.816 25.110 1.880 13.356 possible 2586 75 f DET C5 9 C4H2b 0.770 1.880 8.664 -1.000 1.880 -1.000 bad 2587 75 f DET C6 9 C4H2b 0.770 1.880 5.011 35.704 1.880 18.991 possible 2588 75 f DET C7 9 C4H2b 0.770 1.880 7.998 42.800 1.880 22.766 possible 2589 75 f DET C8 9 C4H2b 0.770 1.880 5.449 32.796 1.880 17.445 possible 2590 75 f DET C9 9 C4H2b 0.770 1.880 3.949 31.361 1.880 16.681 possible 2591 75 f DET C10 9 C4H2b 0.770 1.880 30.900 -1.000 1.880 -1.000 bad 2592 75 f DET C11 9 C4H2b 0.770 1.880 67.329 -1.000 1.880 -1.000 bad 2593 77 f DET N 14 N4H3u 0.700 1.640 2.074 4.843 1.640 2.953 [OK] 2594 77 f DET O 17 O2H1u 0.660 1.460 16.052 -1.000 1.460 -1.000 bad 2595 77 f DET CM1 9 C4H2b 0.770 1.880 4.657 54.438 1.880 28.956 possible 2596 77 f DET CM2 9 C4H2b 0.770 1.880 33.368 -1.000 1.880 -1.000 bad 2597 77 f DET C1 9 C4H2b 0.770 1.880 2.956 20.508 1.880 10.909 [OK] 2598 77 f DET C2 9 C4H2b 0.770 1.880 4.877 29.572 1.880 15.730 possible 2599 77 f DET C3 9 C4H2b 0.770 1.880 3.120 26.786 1.880 14.248 possible 2600 77 f DET C4 9 C4H2b 0.770 1.880 6.371 54.205 1.880 28.832 possible 2601 77 f DET C5 9 C4H2b 0.770 1.880 3.112 23.362 1.880 12.427 possible 2602 77 f DET C6 9 C4H2b 0.770 1.880 5.340 45.467 1.880 24.184 possible 2603 77 f DET C7 9 C4H2b 0.770 1.880 2.866 21.330 1.880 11.346 [OK] 2604 77 f DET C8 9 C4H2b 0.770 1.880 4.196 29.035 1.880 15.444 possible 2605 77 f DET C9 9 C4H2b 0.770 1.880 5.783 39.172 1.880 20.836 possible 2606 77 f DET C10 9 C4H2b 0.770 1.880 5.780 43.281 1.880 23.022 possible 2607 77 f DET C11 9 C4H2b 0.770 1.880 6.065 53.065 1.880 28.226 possible 2608 78 f DET N 14 N4H3u 0.700 1.640 2.166 4.790 1.640 2.921 [OK] 2609 78 f DET O 17 O2H1u 0.660 1.460 16.085 -1.000 1.460 -1.000 bad 2610 78 f DET CM1 9 C4H2b 0.770 1.880 2.782 26.127 1.880 13.897 [OK] 2611 78 f DET CM2 9 C4H2b 0.770 1.880 7.425 54.447 1.880 28.961 possible 2612 78 f DET C1 9 C4H2b 0.770 1.880 18.599 -1.000 1.880 -1.000 bad 2613 78 f DET C2 9 C4H2b 0.770 1.880 2.770 17.568 1.880 9.345 [OK] 2614 78 f DET C3 9 C4H2b 0.770 1.880 22.020 -1.000 1.880 -1.000 bad 2615 78 f DET C4 9 C4H2b 0.770 1.880 23.553 -1.000 1.880 -1.000 bad 2616 78 f DET C5 9 C4H2b 0.770 1.880 3.491 22.926 1.880 12.195 possible 2617 78 f DET C6 9 C4H2b 0.770 1.880 5.669 42.445 1.880 22.577 possible 2618 78 f DET C7 9 C4H2b 0.770 1.880 3.192 24.098 1.880 12.818 possible 2619 78 f DET C8 9 C4H2b 0.770 1.880 3.856 30.320 1.880 16.128 possible 2620 78 f DET C9 9 C4H2b 0.770 1.880 3.230 29.754 1.880 15.826 possible 2621 78 f DET C10 9 C4H2b 0.770 1.880 3.072 31.351 1.880 16.676 possible 2622 78 f DET C11 9 C4H2b 0.770 1.880 3.133 34.680 1.880 18.447 possible 2623 61 f HTO C1 9 C4H2b 0.770 1.880 4.071 27.756 1.880 14.764 possible 2624 61 f HTO O1 17 O2H1u 0.660 1.460 2.676 22.852 1.460 15.652 [OK] 2625 61 f HTO C2 9 C4H2b 0.770 1.880 3.828 18.675 1.880 9.933 possible 2626 61 f HTO O2 17 O2H1u 0.660 1.460 6.957 56.057 1.460 38.395 possible 2627 61 f HTO C3 9 C4H2b 0.770 1.880 6.059 34.358 1.880 18.275 possible 2628 61 f HTO O3 17 O2H1u 0.660 1.460 33.012 -1.000 1.460 -1.000 bad 2629 61 f HTO C4 9 C4H2b 0.770 1.880 4.607 26.931 1.880 14.325 possible 2630 61 f HTO C5 9 C4H2b 0.770 1.880 28.133 -1.000 1.880 -1.000 bad 2631 61 f HTO C6 9 C4H2b 0.770 1.880 36.385 -1.000 1.880 -1.000 bad 2632 61 f HTO C7 9 C4H2b 0.770 1.880 43.726 -1.000 1.880 -1.000 bad 2633 62 f HTO C1 9 C4H2b 0.770 1.880 4.041 27.011 1.880 14.368 possible 2634 62 f HTO O1 17 O2H1u 0.660 1.460 16.161 -1.000 1.460 -1.000 bad 2635 62 f HTO C2 9 C4H2b 0.770 1.880 2.864 13.381 1.880 7.118 [OK] 2636 62 f HTO O2 17 O2H1u 0.660 1.460 2.598 19.985 1.460 13.688 [OK] 2637 62 f HTO C3 9 C4H2b 0.770 1.880 2.580 11.832 1.880 6.294 [OK] 2638 62 f HTO O3 17 O2H1u 0.660 1.460 2.531 20.767 1.460 14.224 [OK] 2639 62 f HTO C4 9 C4H2b 0.770 1.880 2.952 23.219 1.880 12.351 [OK] 2640 62 f HTO C5 9 C4H2b 0.770 1.880 2.841 23.554 1.880 12.529 [OK] 2641 62 f HTO C6 9 C4H2b 0.770 1.880 3.149 27.684 1.880 14.726 possible 2642 62 f HTO C7 9 C4H2b 0.770 1.880 3.129 41.208 1.880 21.919 possible 2643 63 f HTO C1 9 C4H2b 0.770 1.880 3.584 24.570 1.880 13.069 possible 2644 63 f HTO O1 17 O2H1u 0.660 1.460 2.546 18.431 1.460 12.624 [OK] 2645 63 f HTO C2 9 C4H2b 0.770 1.880 3.416 14.876 1.880 7.913 possible 2646 63 f HTO O2 17 O2H1u 0.660 1.460 26.286 -1.000 1.460 -1.000 bad 2647 63 f HTO C3 9 C4H2b 0.770 1.880 2.782 14.516 1.880 7.721 [OK] 2648 63 f HTO O3 17 O2H1u 0.660 1.460 6.303 48.498 1.460 33.218 possible 2649 63 f HTO C4 9 C4H2b 0.770 1.880 3.051 20.991 1.880 11.165 possible 2650 63 f HTO C5 9 C4H2b 0.770 1.880 13.855 -1.000 1.880 -1.000 bad 2651 63 f HTO C6 9 C4H2b 0.770 1.880 30.145 -1.000 1.880 -1.000 bad 2652 63 f HTO C7 9 C4H2b 0.770 1.880 37.262 -1.000 1.880 -1.000 bad 2653 64 f HTO C1 9 C4H2b 0.770 1.880 4.390 33.216 1.880 17.668 possible 2654 64 f HTO O1 17 O2H1u 0.660 1.460 3.920 38.874 1.460 26.626 possible 2655 64 f HTO C2 9 C4H2b 0.770 1.880 3.063 14.072 1.880 7.485 possible 2656 64 f HTO O2 17 O2H1u 0.660 1.460 5.417 53.646 1.460 36.744 possible 2657 64 f HTO C3 9 C4H2b 0.770 1.880 5.686 24.534 1.880 13.050 possible 2658 64 f HTO O3 17 O2H1u 0.660 1.460 5.831 66.257 1.460 45.382 possible 2659 64 f HTO C4 9 C4H2b 0.770 1.880 3.125 18.143 1.880 9.650 possible 2660 64 f HTO C5 9 C4H2b 0.770 1.880 3.029 25.644 1.880 13.641 possible 2661 64 f HTO C6 9 C4H2b 0.770 1.880 5.659 37.519 1.880 19.957 possible 2662 64 f HTO C7 9 C4H2b 0.770 1.880 7.168 101.145 1.880 53.800 possible 2663 65 f HTO C1 9 C4H2b 0.770 1.880 36.323 -1.000 1.880 -1.000 bad 2664 65 f HTO O1 17 O2H1u 0.660 1.460 43.296 -1.000 1.460 -1.000 bad 2665 65 f HTO C2 9 C4H2b 0.770 1.880 17.473 -1.000 1.880 -1.000 bad 2666 65 f HTO O2 17 O2H1u 0.660 1.460 21.586 -1.000 1.460 -1.000 bad 2667 65 f HTO C3 9 C4H2b 0.770 1.880 9.100 -1.000 1.880 -1.000 bad 2668 65 f HTO O3 17 O2H1u 0.660 1.460 32.948 -1.000 1.460 -1.000 bad 2669 65 f HTO C4 9 C4H2b 0.770 1.880 17.067 -1.000 1.880 -1.000 bad 2670 65 f HTO C5 9 C4H2b 0.770 1.880 29.314 -1.000 1.880 -1.000 bad 2671 65 f HTO C6 9 C4H2b 0.770 1.880 14.870 -1.000 1.880 -1.000 bad 2672 65 f HTO C7 9 C4H2b 0.770 1.880 22.980 -1.000 1.880 -1.000 bad 2673 66 f HTO C1 9 C4H2b 0.770 1.880 15.504 -1.000 1.880 -1.000 bad 2674 66 f HTO O1 17 O2H1u 0.660 1.460 33.635 -1.000 1.460 -1.000 bad 2675 66 f HTO C2 9 C4H2b 0.770 1.880 18.255 -1.000 1.880 -1.000 bad 2676 66 f HTO O2 17 O2H1u 0.660 1.460 19.497 -1.000 1.460 -1.000 bad 2677 66 f HTO C3 9 C4H2b 0.770 1.880 16.745 -1.000 1.880 -1.000 bad 2678 66 f HTO O3 17 O2H1u 0.660 1.460 25.837 -1.000 1.460 -1.000 bad 2679 66 f HTO C4 9 C4H2b 0.770 1.880 4.321 23.849 1.880 12.686 possible 2680 66 f HTO C5 9 C4H2b 0.770 1.880 16.285 -1.000 1.880 -1.000 bad 2681 66 f HTO C6 9 C4H2b 0.770 1.880 5.184 31.752 1.880 16.889 possible 2682 66 f HTO C7 9 C4H2b 0.770 1.880 6.038 57.301 1.880 30.479 possible 2683 1 f HOH O 18 O2H2u 0.660 1.460 50.838 -1.000 1.460 -1.000 bad 2684 6 f HOH O 18 O2H2u 0.660 1.460 3.653 29.683 1.460 20.331 possible 2687 11 f HOH O 18 O2H2u 0.660 1.460 41.739 -1.000 1.460 -1.000 bad 2690 12 f HOH O 18 O2H2u 0.660 1.460 7.642 134.683 1.460 92.249 possible 2693 23 f HOH O 18 O2H2u 0.660 1.460 36.534 -1.000 1.460 -1.000 bad 2696 36 f HOH O 18 O2H2u 0.660 1.460 26.777 -1.000 1.460 -1.000 bad 2699 44 f HOH O 18 O2H2u 0.660 1.460 45.254 -1.000 1.460 -1.000 bad 2702 102 f HOH O 18 O2H2u 0.660 1.460 5.857 65.342 1.460 44.755 possible 2705 104 f HOH O 18 O2H2u 0.660 1.460 59.942 -1.000 1.460 -1.000 bad 2708 105 f HOH O 18 O2H2u 0.660 1.460 6.991 103.785 1.460 71.086 possible 2711 112 f HOH O 18 O2H2u 0.660 1.460 6.346 58.597 1.460 40.135 possible 2714 118 f HOH O 18 O2H2u 0.660 1.460 4.686 73.273 1.460 50.187 possible 2717 119 f HOH O 18 O2H2u 0.660 1.460 41.909 -1.000 1.460 -1.000 bad 2720 120 f HOH O 18 O2H2u 0.660 1.460 32.660 -1.000 1.460 -1.000 bad 2723 121 f HOH O 18 O2H2u 0.660 1.460 48.558 -1.000 1.460 -1.000 bad 2726 122 f HOH O 18 O2H2u 0.660 1.460 25.299 -1.000 1.460 -1.000 bad 2729 1 G SER N 12 N3H1s 0.700 1.640 6.072 81.382 13.808 5.894 possible 2730 1 G SER CA 3 C4H1s 0.770 1.880 13.927 -1.000 13.351 -1.000 bad 2731 1 G SER C 1 C3H0s 0.770 1.610 3.191 10.150 8.858 1.146 possible 2732 1 G SER O 16 O1H0u 0.660 1.420 3.044 13.688 15.860 0.863 possible 2733 1 G SER CB 8 C4H2s 0.770 1.880 22.596 -1.000 23.599 -1.000 bad 2734 1 G SER OG 17 O2H1u 0.660 1.460 30.552 -1.000 18.021 -1.000 bad 2739 2 G ASN N 12 N3H1s 0.700 1.640 5.300 21.364 13.525 1.580 possible 2740 2 G ASN CA 3 C4H1s 0.770 1.880 2.805 12.409 13.052 0.951 [OK] 2741 2 G ASN C 1 C3H0s 0.770 1.610 2.625 9.451 8.853 1.068 [OK] 2742 2 G ASN O 16 O1H0u 0.660 1.420 27.486 -1.000 15.857 -1.000 bad 2743 2 G ASN CB 8 C4H2s 0.770 1.880 3.797 22.082 22.756 0.970 possible 2744 2 G ASN CG 2 C3H0b 0.770 1.610 2.668 8.854 9.537 0.928 [OK] 2745 2 G ASN OD1 16 O1H0u 0.660 1.420 4.295 30.832 16.247 1.898 possible 2746 2 G ASN ND2 15 N3H2u 0.700 1.640 2.845 23.681 22.525 1.051 [OK] 2750 3 G PRO N 11 N3H0u 0.700 1.640 3.027 8.798 8.650 1.017 possible 2751 3 G PRO CA 4 C4H1b 0.770 1.880 2.522 11.358 13.828 0.821 [OK] 2752 3 G PRO C 1 C3H0s 0.770 1.610 3.625 9.760 8.768 1.113 possible 2753 3 G PRO O 16 O1H0u 0.660 1.420 4.063 24.034 15.856 1.516 possible 2754 3 G PRO CB 9 C4H2b 0.770 1.880 4.049 26.203 25.314 1.035 possible 2755 3 G PRO CG 9 C4H2b 0.770 1.880 28.290 -1.000 25.480 -1.000 bad 2756 3 G PRO CD 8 C4H2s 0.770 1.880 27.119 -1.000 23.390 -1.000 bad 2757 4 G LYS N 12 N3H1s 0.700 1.640 4.317 19.888 13.429 1.481 possible 2758 4 G LYS CA 3 C4H1s 0.770 1.880 9.368 -1.000 13.217 -1.000 bad 2759 4 G LYS C 1 C3H0s 0.770 1.610 2.352 7.736 8.696 0.890 [OK] 2760 4 G LYS O 16 O1H0u 0.660 1.420 2.996 22.323 15.818 1.411 [OK] 2761 4 G LYS CB 8 C4H2s 0.770 1.880 14.719 -1.000 22.578 -1.000 bad 2762 4 G LYS CG 8 C4H2s 0.770 1.880 17.014 -1.000 22.847 -1.000 bad 2763 4 G LYS CD 8 C4H2s 0.770 1.880 35.431 -1.000 23.365 -1.000 bad 2764 4 G LYS CE 9 C4H2b 0.770 1.880 4.351 21.338 23.720 0.900 possible 2765 4 G LYS NZ 14 N4H3u 0.700 1.640 44.030 -1.000 21.413 -1.000 bad 2770 5 G ASP N 12 N3H1s 0.700 1.640 2.639 12.440 13.654 0.911 [OK] 2771 5 G ASP CA 3 C4H1s 0.770 1.880 2.678 13.544 13.254 1.022 [OK] 2772 5 G ASP C 1 C3H0s 0.770 1.610 2.588 10.289 8.750 1.176 [OK] 2773 5 G ASP O 16 O1H0u 0.660 1.420 3.083 22.272 15.757 1.413 possible 2774 5 G ASP CB 8 C4H2s 0.770 1.880 4.241 31.931 23.022 1.387 possible 2775 5 G ASP CG 2 C3H0b 0.770 1.610 2.775 9.275 9.336 0.993 [OK] 2776 5 G ASP OD1 16 O1H0u 0.660 1.420 5.117 31.945 15.078 2.119 possible 2777 5 G ASP OD2 16 O1H0u 0.660 1.420 14.551 -1.000 15.582 -1.000 bad 2779 6 G ASP N 12 N3H1s 0.700 1.640 2.838 14.175 13.654 1.038 [OK] 2780 6 G ASP CA 3 C4H1s 0.770 1.880 2.661 13.122 13.254 0.990 [OK] 2781 6 G ASP C 1 C3H0s 0.770 1.610 2.085 8.141 8.750 0.930 [OK] 2782 6 G ASP O 16 O1H0u 0.660 1.420 2.671 17.404 15.757 1.104 [OK] 2783 6 G ASP CB 8 C4H2s 0.770 1.880 3.149 21.427 23.022 0.931 possible 2784 6 G ASP CG 2 C3H0b 0.770 1.610 2.260 8.526 9.336 0.913 [OK] 2785 6 G ASP OD1 16 O1H0u 0.660 1.420 2.375 13.792 15.078 0.915 [OK] 2786 6 G ASP OD2 16 O1H0u 0.660 1.420 2.141 12.204 15.582 0.783 [OK] 2788 7 G TYR N 12 N3H1s 0.700 1.640 3.002 16.054 13.473 1.192 possible 2789 7 G TYR CA 3 C4H1s 0.770 1.880 2.659 12.913 13.249 0.975 [OK] 2790 7 G TYR C 1 C3H0s 0.770 1.610 2.362 7.621 8.714 0.875 [OK] 2791 7 G TYR O 16 O1H0u 0.660 1.420 2.346 15.958 15.901 1.004 [OK] 2792 7 G TYR CB 8 C4H2s 0.770 1.880 2.742 23.321 23.426 0.996 [OK] 2793 7 G TYR CG 2 C3H0b 0.770 1.610 2.386 8.813 9.695 0.909 [OK] 2794 7 G TYR CD1 5 C3H1s 0.770 1.760 2.763 18.208 20.057 0.908 [OK] 2795 7 G TYR CD2 5 C3H1s 0.770 1.760 2.619 16.876 20.578 0.820 [OK] 2796 7 G TYR CE1 5 C3H1s 0.770 1.760 3.654 24.923 20.534 1.214 possible 2797 7 G TYR CE2 5 C3H1s 0.770 1.760 2.722 19.992 20.577 0.972 [OK] 2798 7 G TYR CZ 2 C3H0b 0.770 1.610 2.569 9.689 9.888 0.980 [OK] 2799 7 G TYR OH 17 O2H1u 0.660 1.460 6.062 35.367 18.541 1.908 possible 2802 8 G LYS N 12 N3H1s 0.700 1.640 2.494 12.765 13.429 0.951 [OK] 2803 8 G LYS CA 3 C4H1s 0.770 1.880 2.734 13.007 13.217 0.984 [OK] 2804 8 G LYS C 1 C3H0s 0.770 1.610 2.411 8.380 8.696 0.964 [OK] 2805 8 G LYS O 16 O1H0u 0.660 1.420 2.557 16.059 15.818 1.015 [OK] 2806 8 G LYS CB 8 C4H2s 0.770 1.880 3.375 25.072 22.578 1.110 possible 2807 8 G LYS CG 8 C4H2s 0.770 1.880 2.925 22.039 22.847 0.965 [OK] 2808 8 G LYS CD 8 C4H2s 0.770 1.880 4.506 48.763 23.365 2.087 possible 2809 8 G LYS CE 9 C4H2b 0.770 1.880 33.470 -1.000 23.720 -1.000 bad 2810 8 G LYS NZ 14 N4H3u 0.700 1.640 12.920 -1.000 21.413 -1.000 bad 2815 9 G ILE N 12 N3H1s 0.700 1.640 2.938 14.302 13.493 1.060 [OK] 2816 9 G ILE CA 3 C4H1s 0.770 1.880 2.766 12.680 12.946 0.979 [OK] 2817 9 G ILE C 1 C3H0s 0.770 1.610 2.501 8.044 8.445 0.953 [OK] 2818 9 G ILE O 16 O1H0u 0.660 1.420 2.344 14.436 15.930 0.906 [OK] 2819 9 G ILE CB 4 C4H1b 0.770 1.880 2.816 14.831 14.146 1.048 [OK] 2820 9 G ILE CG1 9 C4H2b 0.770 1.880 3.145 25.928 24.071 1.077 possible 2821 9 G ILE CG2 10 C4H3u 0.770 1.880 3.052 34.416 35.763 0.962 possible 2822 9 G ILE CD1 10 C4H3u 0.770 1.880 2.995 38.828 38.219 1.016 [OK] 2824 10 G TRP N 12 N3H1s 0.700 1.640 2.410 11.757 13.639 0.862 [OK] 2825 10 G TRP CA 3 C4H1s 0.770 1.880 2.562 12.193 13.323 0.915 [OK] 2826 10 G TRP C 1 C3H0s 0.770 1.610 2.376 9.506 8.687 1.094 [OK] 2827 10 G TRP O 16 O1H0u 0.660 1.420 2.372 16.118 15.797 1.020 [OK] 2828 10 G TRP CB 8 C4H2s 0.770 1.880 2.947 25.323 23.826 1.063 [OK] 2829 10 G TRP CG 2 C3H0b 0.770 1.610 2.614 9.653 9.915 0.974 [OK] 2830 10 G TRP CD1 5 C3H1s 0.770 1.760 2.640 19.352 20.597 0.940 [OK] 2831 10 G TRP CD2 2 C3H0b 0.770 1.610 2.498 9.737 10.068 0.967 [OK] 2832 10 G TRP NE1 13 N3H1b 0.700 1.640 2.627 15.822 16.723 0.946 [OK] 2833 10 G TRP CE2 2 C3H0b 0.770 1.610 2.602 9.442 9.848 0.959 [OK] 2834 10 G TRP CE3 6 C3H1b 0.770 1.760 2.645 18.858 20.383 0.925 [OK] 2835 10 G TRP CZ2 6 C3H1b 0.770 1.760 3.010 21.633 20.931 1.034 possible 2836 10 G TRP CZ3 6 C3H1b 0.770 1.760 3.184 27.256 21.429 1.272 possible 2837 10 G TRP CH2 6 C3H1b 0.770 1.760 3.286 30.618 21.219 1.443 possible 2840 11 G LEU N 12 N3H1s 0.700 1.640 2.564 12.080 13.517 0.894 [OK] 2841 11 G LEU CA 3 C4H1s 0.770 1.880 2.667 12.436 13.055 0.953 [OK] 2842 11 G LEU C 1 C3H0s 0.770 1.610 2.381 8.607 8.781 0.980 [OK] 2843 11 G LEU O 16 O1H0u 0.660 1.420 2.391 14.501 15.957 0.909 [OK] 2844 11 G LEU CB 8 C4H2s 0.770 1.880 3.374 22.613 22.818 0.991 possible 2845 11 G LEU CG 4 C4H1b 0.770 1.880 2.801 14.204 14.704 0.966 [OK] 2846 11 G LEU CD1 10 C4H3u 0.770 1.880 5.304 64.457 37.235 1.731 possible 2847 11 G LEU CD2 10 C4H3u 0.770 1.880 4.218 39.933 37.020 1.079 possible 2849 12 G VAL N 12 N3H1s 0.700 1.640 2.434 12.222 13.553 0.902 [OK] 2850 12 G VAL CA 3 C4H1s 0.770 1.880 2.709 12.605 13.078 0.964 [OK] 2851 12 G VAL C 1 C3H0s 0.770 1.610 2.149 8.025 8.528 0.941 [OK] 2852 12 G VAL O 16 O1H0u 0.660 1.420 2.577 17.073 15.998 1.067 [OK] 2853 12 G VAL CB 4 C4H1b 0.770 1.880 2.977 14.590 14.514 1.005 [OK] 2854 12 G VAL CG1 10 C4H3u 0.770 1.880 3.150 40.556 36.320 1.117 possible 2855 12 G VAL CG2 10 C4H3u 0.770 1.880 2.991 34.885 36.173 0.964 [OK] 2857 13 G ILE N 12 N3H1s 0.700 1.640 2.541 12.808 13.493 0.949 [OK] 2858 13 G ILE CA 3 C4H1s 0.770 1.880 2.653 12.230 12.946 0.945 [OK] 2859 13 G ILE C 1 C3H0s 0.770 1.610 2.695 8.658 8.445 1.025 [OK] 2860 13 G ILE O 16 O1H0u 0.660 1.420 2.602 15.332 15.930 0.962 [OK] 2861 13 G ILE CB 4 C4H1b 0.770 1.880 2.922 15.001 14.146 1.060 [OK] 2862 13 G ILE CG1 9 C4H2b 0.770 1.880 3.135 23.468 24.071 0.975 possible 2863 13 G ILE CG2 10 C4H3u 0.770 1.880 3.159 38.673 35.763 1.081 possible 2864 13 G ILE CD1 10 C4H3u 0.770 1.880 3.422 47.418 38.219 1.241 possible 2866 14 G ASN N 12 N3H1s 0.700 1.640 2.668 13.902 13.525 1.028 [OK] 2867 14 G ASN CA 3 C4H1s 0.770 1.880 2.746 11.769 13.052 0.902 [OK] 2868 14 G ASN C 1 C3H0s 0.770 1.610 2.850 8.933 8.853 1.009 [OK] 2869 14 G ASN O 16 O1H0u 0.660 1.420 2.502 15.338 15.857 0.967 [OK] 2870 14 G ASN CB 8 C4H2s 0.770 1.880 4.878 32.038 22.756 1.408 possible 2871 14 G ASN CG 2 C3H0b 0.770 1.610 2.742 10.393 9.537 1.090 [OK] 2872 14 G ASN OD1 16 O1H0u 0.660 1.420 24.628 -1.000 16.247 -1.000 bad 2873 14 G ASN ND2 15 N3H2u 0.700 1.640 3.794 22.650 22.525 1.006 possible 2877 15 G PRO N 11 N3H0u 0.700 1.640 2.850 8.427 8.650 0.974 [OK] 2878 15 G PRO CA 4 C4H1b 0.770 1.880 3.036 16.555 13.828 1.197 possible 2879 15 G PRO C 1 C3H0s 0.770 1.610 4.206 9.425 8.768 1.075 possible 2880 15 G PRO O 16 O1H0u 0.660 1.420 5.008 26.033 15.856 1.642 possible 2881 15 G PRO CB 9 C4H2b 0.770 1.880 5.128 35.784 25.314 1.414 possible 2882 15 G PRO CG 9 C4H2b 0.770 1.880 4.755 36.252 25.480 1.423 possible 2883 15 G PRO CD 8 C4H2s 0.770 1.880 2.782 21.981 23.390 0.940 [OK] 2884 16 G SER N 12 N3H1s 0.700 1.640 3.811 13.236 13.808 0.959 possible 2885 16 G SER CA 3 C4H1s 0.770 1.880 11.088 -1.000 13.351 -1.000 bad 2886 16 G SER C 1 C3H0s 0.770 1.610 3.190 9.339 8.858 1.054 possible 2887 16 G SER O 16 O1H0u 0.660 1.420 22.800 -1.000 15.860 -1.000 bad 2888 16 G SER CB 8 C4H2s 0.770 1.880 30.854 -1.000 23.599 -1.000 bad 2889 16 G SER OG 17 O2H1u 0.660 1.460 30.935 -1.000 18.021 -1.000 bad 2892 17 G THR N 12 N3H1s 0.700 1.640 2.603 13.415 13.544 0.990 [OK] 2893 17 G THR CA 3 C4H1s 0.770 1.880 5.518 20.397 13.025 1.566 possible 2894 17 G THR C 1 C3H0s 0.770 1.610 2.434 8.308 8.685 0.957 [OK] 2895 17 G THR O 16 O1H0u 0.660 1.420 5.666 33.567 15.795 2.125 possible 2896 17 G THR CB 4 C4H1b 0.770 1.880 3.159 14.117 14.687 0.961 possible 2897 17 G THR OG1 17 O2H1u 0.660 1.460 21.327 -1.000 17.610 -1.000 bad 2898 17 G THR CG2 10 C4H3u 0.770 1.880 5.046 42.434 36.265 1.170 possible 2901 18 G TRP N 12 N3H1s 0.700 1.640 2.362 12.950 13.639 0.950 [OK] 2902 18 G TRP CA 3 C4H1s 0.770 1.880 2.612 12.610 13.323 0.946 [OK] 2903 18 G TRP C 1 C3H0s 0.770 1.610 3.064 9.768 8.687 1.124 possible 2904 18 G TRP O 16 O1H0u 0.660 1.420 2.635 14.769 15.797 0.935 [OK] 2905 18 G TRP CB 8 C4H2s 0.770 1.880 3.342 32.522 23.826 1.365 possible 2906 18 G TRP CG 2 C3H0b 0.770 1.610 2.498 9.494 9.915 0.958 [OK] 2907 18 G TRP CD1 5 C3H1s 0.770 1.760 2.844 20.616 20.597 1.001 [OK] 2908 18 G TRP CD2 2 C3H0b 0.770 1.610 2.562 9.510 10.068 0.945 [OK] 2909 18 G TRP NE1 13 N3H1b 0.700 1.640 2.860 19.307 16.723 1.154 [OK] 2910 18 G TRP CE2 2 C3H0b 0.770 1.610 2.504 9.275 9.848 0.942 [OK] 2911 18 G TRP CE3 6 C3H1b 0.770 1.760 3.501 22.909 20.383 1.124 possible 2912 18 G TRP CZ2 6 C3H1b 0.770 1.760 2.759 20.565 20.931 0.983 [OK] 2913 18 G TRP CZ3 6 C3H1b 0.770 1.760 2.867 23.113 21.429 1.079 [OK] 2914 18 G TRP CH2 6 C3H1b 0.770 1.760 3.001 23.615 21.219 1.113 possible 2917 19 G LEU N 12 N3H1s 0.700 1.640 3.084 15.380 13.517 1.138 possible 2918 19 G LEU CA 3 C4H1s 0.770 1.880 3.308 13.710 13.055 1.050 possible 2919 19 G LEU C 1 C3H0s 0.770 1.610 2.654 8.443 8.781 0.962 [OK] 2920 19 G LEU O 16 O1H0u 0.660 1.420 2.359 15.326 15.957 0.960 [OK] 2921 19 G LEU CB 8 C4H2s 0.770 1.880 4.054 24.075 22.818 1.055 possible 2922 19 G LEU CG 4 C4H1b 0.770 1.880 3.283 14.999 14.704 1.020 possible 2923 19 G LEU CD1 10 C4H3u 0.770 1.880 3.215 39.266 37.235 1.055 possible 2924 19 G LEU CD2 10 C4H3u 0.770 1.880 6.721 74.173 37.020 2.004 possible 2926 20 G PRO N 11 N3H0u 0.700 1.640 2.978 8.895 8.650 1.028 [OK] 2927 20 G PRO CA 4 C4H1b 0.770 1.880 3.437 15.171 13.828 1.097 possible 2928 20 G PRO C 1 C3H0s 0.770 1.610 2.889 9.062 8.768 1.034 [OK] 2929 20 G PRO O 16 O1H0u 0.660 1.420 3.762 18.040 15.856 1.138 possible 2930 20 G PRO CB 9 C4H2b 0.770 1.880 26.673 -1.000 25.314 -1.000 bad 2931 20 G PRO CG 9 C4H2b 0.770 1.880 31.016 -1.000 25.480 -1.000 bad 2932 20 G PRO CD 8 C4H2s 0.770 1.880 3.720 26.112 23.390 1.116 possible 2933 21 G VAL N 12 N3H1s 0.700 1.640 3.082 14.824 13.553 1.094 possible 2934 21 G VAL CA 3 C4H1s 0.770 1.880 3.177 13.989 13.078 1.070 possible 2935 21 G VAL C 1 C3H0s 0.770 1.610 2.667 7.894 8.528 0.926 [OK] 2936 21 G VAL O 16 O1H0u 0.660 1.420 2.820 15.286 15.998 0.956 [OK] 2937 21 G VAL CB 4 C4H1b 0.770 1.880 3.014 13.834 14.514 0.953 possible 2938 21 G VAL CG1 10 C4H3u 0.770 1.880 4.649 50.917 36.320 1.402 possible 2939 21 G VAL CG2 10 C4H3u 0.770 1.880 5.740 69.930 36.173 1.933 possible 2941 22 G ILE N 12 N3H1s 0.700 1.640 2.969 13.381 13.493 0.992 [OK] 2942 22 G ILE CA 3 C4H1s 0.770 1.880 3.476 16.671 12.946 1.288 possible 2943 22 G ILE C 1 C3H0s 0.770 1.610 2.182 7.796 8.445 0.923 [OK] 2944 22 G ILE O 16 O1H0u 0.660 1.420 2.834 19.422 15.930 1.219 [OK] 2945 22 G ILE CB 4 C4H1b 0.770 1.880 3.004 14.733 14.146 1.041 possible 2946 22 G ILE CG1 9 C4H2b 0.770 1.880 3.281 24.668 24.071 1.025 possible 2947 22 G ILE CG2 10 C4H3u 0.770 1.880 3.690 55.865 35.763 1.562 possible 2948 22 G ILE CD1 10 C4H3u 0.770 1.880 2.994 35.040 38.219 0.917 [OK] 2950 23 G TRP N 12 N3H1s 0.700 1.640 2.214 12.314 13.639 0.903 [OK] 2951 23 G TRP CA 3 C4H1s 0.770 1.880 2.966 13.864 13.323 1.041 [OK] 2952 23 G TRP C 1 C3H0s 0.770 1.610 3.659 8.949 8.687 1.030 possible 2953 23 G TRP O 16 O1H0u 0.660 1.420 3.378 16.739 15.797 1.060 possible 2954 23 G TRP CB 8 C4H2s 0.770 1.880 5.784 38.361 23.826 1.610 possible 2955 23 G TRP CG 2 C3H0b 0.770 1.610 2.869 10.070 9.915 1.016 [OK] 2956 23 G TRP CD1 5 C3H1s 0.770 1.760 2.861 20.217 20.597 0.982 [OK] 2957 23 G TRP CD2 2 C3H0b 0.770 1.610 2.947 11.222 10.068 1.115 [OK] 2958 23 G TRP NE1 13 N3H1b 0.700 1.640 2.655 16.710 16.723 0.999 [OK] 2959 23 G TRP CE2 2 C3H0b 0.770 1.610 2.614 10.469 9.848 1.063 [OK] 2960 23 G TRP CE3 6 C3H1b 0.770 1.760 14.067 -1.000 20.383 -1.000 bad 2961 23 G TRP CZ2 6 C3H1b 0.770 1.760 3.356 21.240 20.931 1.015 possible 2962 23 G TRP CZ3 6 C3H1b 0.770 1.760 27.244 -1.000 21.429 -1.000 bad 2963 23 G TRP CH2 6 C3H1b 0.770 1.760 21.773 -1.000 21.219 -1.000 bad 2966 24 G ILE N 12 N3H1s 0.700 1.640 3.691 13.458 13.493 0.997 possible 2967 24 G ILE CA 3 C4H1s 0.770 1.880 3.803 16.998 12.946 1.313 possible 2968 24 G ILE C 1 C3H0s 0.770 1.610 2.651 7.781 8.445 0.921 [OK] 2969 24 G ILE O 16 O1H0u 0.660 1.420 3.195 16.032 15.930 1.006 possible 2970 24 G ILE CB 4 C4H1b 0.770 1.880 3.352 14.799 14.146 1.046 possible 2971 24 G ILE CG1 9 C4H2b 0.770 1.880 20.051 -1.000 24.071 -1.000 bad 2972 24 G ILE CG2 10 C4H3u 0.770 1.880 35.772 -1.000 35.763 -1.000 bad 2973 24 G ILE CD1 10 C4H3u 0.770 1.880 50.580 -1.000 38.219 -1.000 bad 2975 25 G VAL N 12 N3H1s 0.700 1.640 2.889 13.908 13.553 1.026 [OK] 2976 25 G VAL CA 3 C4H1s 0.770 1.880 3.727 16.839 13.078 1.288 possible 2977 25 G VAL C 1 C3H0s 0.770 1.610 2.596 7.685 8.528 0.901 [OK] 2978 25 G VAL O 16 O1H0u 0.660 1.420 3.118 16.823 15.998 1.052 possible 2979 25 G VAL CB 4 C4H1b 0.770 1.880 3.120 15.735 14.514 1.084 possible 2980 25 G VAL CG1 10 C4H3u 0.770 1.880 4.063 50.938 36.320 1.402 possible 2981 25 G VAL CG2 10 C4H3u 0.770 1.880 5.265 59.683 36.173 1.650 possible 2983 26 G ALA N 12 N3H1s 0.700 1.640 3.074 15.335 13.872 1.105 possible 2984 26 G ALA CA 4 C4H1b 0.770 1.880 3.162 16.858 13.959 1.208 possible 2985 26 G ALA C 1 C3H0s 0.770 1.610 2.101 8.245 8.858 0.931 [OK] 2986 26 G ALA O 16 O1H0u 0.660 1.420 2.355 15.073 16.026 0.941 [OK] 2987 26 G ALA CB 10 C4H3u 0.770 1.880 3.096 33.997 36.551 0.930 possible 2989 27 G THR N 12 N3H1s 0.700 1.640 2.339 12.292 13.544 0.908 [OK] 2990 27 G THR CA 3 C4H1s 0.770 1.880 2.673 12.728 13.025 0.977 [OK] 2991 27 G THR C 1 C3H0s 0.770 1.610 2.604 8.284 8.685 0.954 [OK] 2992 27 G THR O 16 O1H0u 0.660 1.420 3.102 15.287 15.795 0.968 possible 2993 27 G THR CB 4 C4H1b 0.770 1.880 3.872 17.533 14.687 1.194 possible 2994 27 G THR OG1 17 O2H1u 0.660 1.460 11.169 -1.000 17.610 -1.000 bad 2995 27 G THR CG2 10 C4H3u 0.770 1.880 38.280 -1.000 36.265 -1.000 bad 2998 28 G VAL N 12 N3H1s 0.700 1.640 2.895 13.371 13.553 0.987 [OK] 2999 28 G VAL CA 3 C4H1s 0.770 1.880 3.213 14.320 13.078 1.095 possible 3000 28 G VAL C 1 C3H0s 0.770 1.610 2.513 7.622 8.528 0.894 [OK] 3001 28 G VAL O 16 O1H0u 0.660 1.420 2.874 16.286 15.998 1.018 [OK] 3002 28 G VAL CB 4 C4H1b 0.770 1.880 3.967 16.879 14.514 1.163 possible 3003 28 G VAL CG1 10 C4H3u 0.770 1.880 5.594 67.978 36.320 1.872 possible 3004 28 G VAL CG2 10 C4H3u 0.770 1.880 35.015 -1.000 36.173 -1.000 bad 3006 29 G VAL N 12 N3H1s 0.700 1.640 2.834 13.774 13.553 1.016 [OK] 3007 29 G VAL CA 3 C4H1s 0.770 1.880 3.303 15.127 13.078 1.157 possible 3008 29 G VAL C 1 C3H0s 0.770 1.610 2.262 7.578 8.528 0.889 [OK] 3009 29 G VAL O 16 O1H0u 0.660 1.420 2.833 14.943 15.998 0.934 [OK] 3010 29 G VAL CB 4 C4H1b 0.770 1.880 2.866 14.641 14.514 1.009 [OK] 3011 29 G VAL CG1 10 C4H3u 0.770 1.880 3.291 35.729 36.320 0.984 possible 3012 29 G VAL CG2 10 C4H3u 0.770 1.880 3.562 40.061 36.173 1.107 possible 3014 30 G ALA N 12 N3H1s 0.700 1.640 2.215 12.832 13.872 0.925 [OK] 3015 30 G ALA CA 4 C4H1b 0.770 1.880 2.710 13.981 13.959 1.002 [OK] 3016 30 G ALA C 1 C3H0s 0.770 1.610 3.742 8.976 8.858 1.013 possible 3017 30 G ALA O 16 O1H0u 0.660 1.420 3.460 16.981 16.026 1.060 possible 3018 30 G ALA CB 10 C4H3u 0.770 1.880 4.399 40.984 36.551 1.121 possible 3020 31 G ILE N 12 N3H1s 0.700 1.640 3.562 13.168 13.493 0.976 possible 3021 31 G ILE CA 3 C4H1s 0.770 1.880 4.174 18.904 12.946 1.460 possible 3022 31 G ILE C 1 C3H0s 0.770 1.610 2.538 7.598 8.445 0.900 [OK] 3023 31 G ILE O 16 O1H0u 0.660 1.420 3.533 19.330 15.930 1.213 possible 3024 31 G ILE CB 4 C4H1b 0.770 1.880 3.476 14.567 14.146 1.030 possible 3025 31 G ILE CG1 9 C4H2b 0.770 1.880 17.214 -1.000 24.071 -1.000 bad 3026 31 G ILE CG2 10 C4H3u 0.770 1.880 6.129 74.698 35.763 2.089 possible 3027 31 G ILE CD1 10 C4H3u 0.770 1.880 45.809 -1.000 38.219 -1.000 bad 3029 32 G ALA N 12 N3H1s 0.700 1.640 2.594 12.812 13.872 0.924 [OK] 3030 32 G ALA CA 4 C4H1b 0.770 1.880 2.823 14.844 13.959 1.063 [OK] 3031 32 G ALA C 1 C3H0s 0.770 1.610 2.284 8.349 8.858 0.942 [OK] 3032 32 G ALA O 16 O1H0u 0.660 1.420 2.322 15.530 16.026 0.969 [OK] 3033 32 G ALA CB 10 C4H3u 0.770 1.880 3.303 40.103 36.551 1.097 possible 3035 33 G VAL N 12 N3H1s 0.700 1.640 2.623 13.058 13.553 0.963 [OK] 3036 33 G VAL CA 3 C4H1s 0.770 1.880 2.870 13.343 13.078 1.020 [OK] 3037 33 G VAL C 1 C3H0s 0.770 1.610 2.233 7.797 8.528 0.914 [OK] 3038 33 G VAL O 16 O1H0u 0.660 1.420 2.775 15.143 15.998 0.947 [OK] 3039 33 G VAL CB 4 C4H1b 0.770 1.880 2.874 15.884 14.514 1.094 [OK] 3040 33 G VAL CG1 10 C4H3u 0.770 1.880 3.258 33.838 36.320 0.932 possible 3041 33 G VAL CG2 10 C4H3u 0.770 1.880 3.266 37.941 36.173 1.049 possible 3043 34 G HIS N 12 N3H1s 0.700 1.640 2.539 13.629 13.532 1.007 [OK] 3044 34 G HIS CA 3 C4H1s 0.770 1.880 3.252 15.987 13.335 1.199 possible 3045 34 G HIS C 1 C3H0s 0.770 1.610 3.009 8.937 8.760 1.020 possible 3046 34 G HIS O 16 O1H0u 0.660 1.420 2.527 17.234 15.855 1.087 [OK] 3047 34 G HIS CB 8 C4H2s 0.770 1.880 5.610 49.158 23.443 2.097 possible 3048 34 G HIS CG 2 C3H0b 0.770 1.610 4.493 14.902 9.870 1.510 possible 3049 34 G HIS ND1 13 N3H1b 0.700 1.640 4.218 19.700 15.483 1.272 possible 3050 34 G HIS CD2 5 C3H1s 0.770 1.760 4.357 30.042 20.938 1.435 possible 3051 34 G HIS CE1 5 C3H1s 0.770 1.760 4.286 22.027 20.491 1.075 possible 3052 34 G HIS NE2 13 N3H1b 0.700 1.640 3.629 12.243 15.758 0.777 possible 3056 35 G ALA N 12 N3H1s 0.700 1.640 3.567 15.736 13.872 1.134 possible 3057 35 G ALA CA 4 C4H1b 0.770 1.880 3.468 17.383 13.959 1.245 possible 3058 35 G ALA C 1 C3H0s 0.770 1.610 2.549 8.407 8.858 0.949 [OK] 3059 35 G ALA O 16 O1H0u 0.660 1.420 2.337 16.545 16.026 1.032 [OK] 3060 35 G ALA CB 10 C4H3u 0.770 1.880 3.484 43.366 36.551 1.186 possible 3062 36 G ALA N 12 N3H1s 0.700 1.640 2.420 12.997 13.872 0.937 [OK] 3063 36 G ALA CA 4 C4H1b 0.770 1.880 2.825 14.516 13.959 1.040 [OK] 3064 36 G ALA C 1 C3H0s 0.770 1.610 2.269 8.490 8.858 0.958 [OK] 3065 36 G ALA O 16 O1H0u 0.660 1.420 2.370 16.123 16.026 1.006 [OK] 3066 36 G ALA CB 10 C4H3u 0.770 1.880 3.258 36.522 36.551 0.999 possible 3068 37 G VAL N 12 N3H1s 0.700 1.640 2.613 13.234 13.553 0.976 [OK] 3069 37 G VAL CA 3 C4H1s 0.770 1.880 2.634 13.395 13.078 1.024 [OK] 3070 37 G VAL C 1 C3H0s 0.770 1.610 2.505 7.636 8.528 0.895 [OK] 3071 37 G VAL O 16 O1H0u 0.660 1.420 2.433 16.750 15.998 1.047 [OK] 3072 37 G VAL CB 4 C4H1b 0.770 1.880 2.995 16.149 14.514 1.113 [OK] 3073 37 G VAL CG1 10 C4H3u 0.770 1.880 3.233 39.358 36.320 1.084 possible 3074 37 G VAL CG2 10 C4H3u 0.770 1.880 3.222 34.803 36.173 0.962 possible 3076 38 G LEU N 12 N3H1s 0.700 1.640 2.525 13.128 13.517 0.971 [OK] 3077 38 G LEU CA 3 C4H1s 0.770 1.880 2.914 13.532 13.055 1.037 [OK] 3078 38 G LEU C 1 C3H0s 0.770 1.610 2.506 8.793 8.781 1.001 [OK] 3079 38 G LEU O 16 O1H0u 0.660 1.420 2.738 20.773 15.957 1.302 [OK] 3080 38 G LEU CB 8 C4H2s 0.770 1.880 2.916 22.250 22.818 0.975 [OK] 3081 38 G LEU CG 4 C4H1b 0.770 1.880 2.742 12.908 14.704 0.878 [OK] 3082 38 G LEU CD1 10 C4H3u 0.770 1.880 5.235 76.734 37.235 2.061 possible 3083 38 G LEU CD2 10 C4H3u 0.770 1.880 3.501 30.937 37.020 0.836 possible 3085 39 G ALA N 12 N3H1s 0.700 1.640 2.537 12.883 13.872 0.929 [OK] 3086 39 G ALA CA 4 C4H1b 0.770 1.880 3.538 16.357 13.959 1.172 possible 3087 39 G ALA C 1 C3H0s 0.770 1.610 2.456 9.414 8.858 1.063 [OK] 3088 39 G ALA O 16 O1H0u 0.660 1.420 6.816 53.623 16.026 3.346 possible 3089 39 G ALA CB 10 C4H3u 0.770 1.880 4.637 42.958 36.551 1.175 possible 3091 40 G ALA N 12 N3H1s 0.700 1.640 2.372 13.804 13.872 0.995 [OK] 3092 40 G ALA CA 4 C4H1b 0.770 1.880 3.127 13.062 13.959 0.936 possible 3093 40 G ALA C 1 C3H0s 0.770 1.610 2.881 9.026 8.858 1.019 [OK] 3094 40 G ALA O 16 O1H0u 0.660 1.420 2.680 16.297 16.026 1.017 [OK] 3095 40 G ALA CB 10 C4H3u 0.770 1.880 3.146 35.906 36.551 0.982 possible 3097 41 G PRO N 11 N3H0u 0.700 1.640 2.836 9.563 8.650 1.106 [OK] 3098 41 G PRO CA 4 C4H1b 0.770 1.880 7.880 31.966 13.828 2.312 possible 3099 41 G PRO C 1 C3H0s 0.770 1.610 4.687 11.597 8.768 1.323 possible 3100 41 G PRO O 16 O1H0u 0.660 1.420 7.800 59.070 15.856 3.725 possible 3101 41 G PRO CB 9 C4H2b 0.770 1.880 7.304 40.362 25.314 1.594 possible 3102 41 G PRO CG 9 C4H2b 0.770 1.880 25.075 -1.000 25.480 -1.000 bad 3103 41 G PRO CD 8 C4H2s 0.770 1.880 4.206 30.353 23.390 1.298 possible 3104 42 G GLY N 12 N3H1s 0.700 1.640 3.032 16.132 14.480 1.114 possible 3105 42 G GLY CA 8 C4H2s 0.770 1.880 4.772 36.243 23.470 1.544 possible 3106 42 G GLY C 2 C3H0b 0.770 1.610 2.870 10.302 9.652 1.067 [OK] 3107 42 G GLY O 16 O1H0u 0.660 1.420 3.208 22.031 16.154 1.364 possible 3109 43 G PHE N 12 N3H1s 0.700 1.640 2.906 13.363 13.524 0.988 [OK] 3110 43 G PHE CA 3 C4H1s 0.770 1.880 3.109 12.655 13.371 0.946 possible 3111 43 G PHE C 1 C3H0s 0.770 1.610 2.860 10.047 8.697 1.155 [OK] 3112 43 G PHE O 16 O1H0u 0.660 1.420 2.649 19.125 15.961 1.198 [OK] 3113 43 G PHE CB 8 C4H2s 0.770 1.880 3.102 23.054 23.623 0.976 possible 3114 43 G PHE CG 2 C3H0b 0.770 1.610 2.685 10.558 9.684 1.090 [OK] 3115 43 G PHE CD1 5 C3H1s 0.770 1.760 2.951 22.815 20.325 1.123 [OK] 3116 43 G PHE CD2 6 C3H1b 0.770 1.760 2.995 19.394 20.948 0.926 [OK] 3117 43 G PHE CE1 6 C3H1b 0.770 1.760 2.852 21.289 21.532 0.989 [OK] 3118 43 G PHE CE2 6 C3H1b 0.770 1.760 2.952 25.229 21.625 1.167 [OK] 3119 43 G PHE CZ 6 C3H1b 0.770 1.760 2.696 19.041 21.555 0.883 [OK] 3121 44 G ASN N 12 N3H1s 0.700 1.640 3.090 18.426 13.525 1.362 possible 3122 44 G ASN CA 3 C4H1s 0.770 1.880 2.746 13.287 13.052 1.018 [OK] 3123 44 G ASN C 1 C3H0s 0.770 1.610 2.450 8.141 8.853 0.920 [OK] 3124 44 G ASN O 16 O1H0u 0.660 1.420 3.027 15.576 15.857 0.982 possible 3125 44 G ASN CB 8 C4H2s 0.770 1.880 3.891 30.731 22.756 1.350 possible 3126 44 G ASN CG 2 C3H0b 0.770 1.610 2.611 8.768 9.537 0.919 [OK] 3127 44 G ASN OD1 16 O1H0u 0.660 1.420 6.059 42.998 16.247 2.647 possible 3128 44 G ASN ND2 15 N3H2u 0.700 1.640 3.663 19.301 22.525 0.857 possible 3132 45 G TRP N 12 N3H1s 0.700 1.640 2.812 14.542 13.639 1.066 [OK] 3133 45 G TRP CA 3 C4H1s 0.770 1.880 3.370 15.962 13.323 1.198 possible 3134 45 G TRP C 1 C3H0s 0.770 1.610 2.231 8.189 8.687 0.943 [OK] 3135 45 G TRP O 16 O1H0u 0.660 1.420 5.571 39.164 15.797 2.479 possible 3136 45 G TRP CB 8 C4H2s 0.770 1.880 4.483 37.786 23.826 1.586 possible 3137 45 G TRP CG 2 C3H0b 0.770 1.610 2.782 9.960 9.915 1.005 [OK] 3138 45 G TRP CD1 5 C3H1s 0.770 1.760 16.472 -1.000 20.597 -1.000 bad 3139 45 G TRP CD2 2 C3H0b 0.770 1.610 2.362 9.614 10.068 0.955 [OK] 3140 45 G TRP NE1 13 N3H1b 0.700 1.640 4.893 20.710 16.723 1.238 possible 3141 45 G TRP CE2 2 C3H0b 0.770 1.610 2.251 9.123 9.848 0.926 [OK] 3142 45 G TRP CE3 6 C3H1b 0.770 1.760 2.813 18.857 20.383 0.925 [OK] 3143 45 G TRP CZ2 6 C3H1b 0.770 1.760 4.054 23.689 20.931 1.132 possible 3144 45 G TRP CZ3 6 C3H1b 0.770 1.760 3.098 18.942 21.429 0.884 possible 3145 45 G TRP CH2 6 C3H1b 0.770 1.760 3.402 22.539 21.219 1.062 possible 3148 46 G ILE N 12 N3H1s 0.700 1.640 2.379 11.712 13.493 0.868 [OK] 3149 46 G ILE CA 3 C4H1s 0.770 1.880 6.059 20.670 12.946 1.597 possible 3150 46 G ILE C 1 C3H0s 0.770 1.610 3.080 8.664 8.445 1.026 possible 3151 46 G ILE O 16 O1H0u 0.660 1.420 5.151 28.748 15.930 1.805 possible 3152 46 G ILE CB 4 C4H1b 0.770 1.880 4.481 16.750 14.146 1.184 possible 3153 46 G ILE CG1 9 C4H2b 0.770 1.880 5.435 27.614 24.071 1.147 possible 3154 46 G ILE CG2 10 C4H3u 0.770 1.880 52.766 -1.000 35.763 -1.000 bad 3155 46 G ILE CD1 10 C4H3u 0.770 1.880 26.762 -1.000 38.219 -1.000 bad 3157 47 G ALA N 12 N3H1s 0.700 1.640 4.172 14.825 13.872 1.069 possible 3158 47 G ALA CA 4 C4H1b 0.770 1.880 6.847 28.107 13.959 2.014 possible 3159 47 G ALA C 1 C3H0s 0.770 1.610 3.605 9.156 8.858 1.034 possible 3160 47 G ALA O 16 O1H0u 0.660 1.420 5.912 25.345 16.026 1.582 possible 3161 47 G ALA CB 10 C4H3u 0.770 1.880 40.706 -1.000 36.551 -1.000 bad 3163 48 G LEU N 12 N3H1s 0.700 1.640 3.031 14.249 13.517 1.054 possible 3164 48 G LEU CA 3 C4H1s 0.770 1.880 3.286 13.773 13.055 1.055 possible 3165 48 G LEU C 1 C3H0s 0.770 1.610 3.790 8.993 8.781 1.024 possible 3166 48 G LEU O 16 O1H0u 0.660 1.420 4.878 26.551 15.957 1.664 possible 3167 48 G LEU CB 8 C4H2s 0.770 1.880 4.347 33.181 22.818 1.454 possible 3168 48 G LEU CG 4 C4H1b 0.770 1.880 7.748 55.425 14.704 3.769 possible 3169 48 G LEU CD1 10 C4H3u 0.770 1.880 40.415 -1.000 37.235 -1.000 bad 3170 48 G LEU CD2 10 C4H3u 0.770 1.880 4.147 49.149 37.020 1.328 possible 3172 49 G GLY N 12 N3H1s 0.700 1.640 3.825 16.466 14.480 1.137 possible 3173 49 G GLY CA 8 C4H2s 0.770 1.880 28.579 -1.000 23.470 -1.000 bad 3174 49 G GLY C 2 C3H0b 0.770 1.610 6.716 16.995 9.652 1.761 possible 3175 49 G GLY O 16 O1H0u 0.660 1.420 7.462 43.093 16.154 2.668 possible 3177 50 G ALA N 12 N3H1s 0.700 1.640 6.415 19.005 13.872 1.370 possible 3178 50 G ALA CA 4 C4H1b 0.770 1.880 7.774 37.515 13.959 2.687 possible 3179 50 G ALA C 1 C3H0s 0.770 1.610 4.347 9.610 8.858 1.085 possible 3180 50 G ALA O 16 O1H0u 0.660 1.420 4.989 -1.000 16.026 -1.000 bad 3181 50 G ALA CB 10 C4H3u 0.770 1.880 50.599 -1.000 36.551 -1.000 bad 3183 51 G ALA N 12 N3H1s 0.700 1.640 5.244 16.995 13.872 1.225 possible 3184 51 G ALA CA 4 C4H1b 0.770 1.880 7.816 -1.000 13.959 -1.000 bad 3185 51 G ALA C 1 C3H0s 0.770 1.610 3.562 8.784 8.858 0.992 possible 3186 51 G ALA O 16 O1H0u 0.660 1.420 5.022 20.332 16.026 1.269 possible 3187 51 G ALA CB 10 C4H3u 0.770 1.880 44.673 -1.000 36.551 -1.000 bad 3189 52 G LYS N 12 N3H1s 0.700 1.640 5.019 17.156 13.429 1.278 possible 3190 52 G LYS CA 3 C4H1s 0.770 1.880 6.918 26.584 13.217 2.011 possible 3191 52 G LYS C 1 C3H0s 0.770 1.610 2.294 7.725 8.696 0.888 [OK] 3192 52 G LYS O 16 O1H0u 0.660 1.420 3.883 17.194 15.818 1.087 possible 3193 52 G LYS CB 8 C4H2s 0.770 1.880 7.038 40.921 22.578 1.812 possible 3194 52 G LYS CG 8 C4H2s 0.770 1.880 5.854 39.673 22.847 1.736 possible 3195 52 G LYS CD 8 C4H2s 0.770 1.880 6.758 84.412 23.365 3.613 possible 3196 52 G LYS CE 9 C4H2b 0.770 1.880 35.863 -1.000 23.720 -1.000 bad 3197 52 G LYS NZ 14 N4H3u 0.700 1.640 42.002 -1.000 21.413 -1.000 bad 3202 53 G SER N 12 N3H1s 0.700 1.640 2.765 13.660 13.808 0.989 [OK] 3203 53 G SER CA 3 C4H1s 0.770 1.880 2.898 11.341 13.351 0.849 [OK] 3204 53 G SER C 1 C3H0s 0.770 1.610 4.142 9.240 8.858 1.043 possible 3205 53 G SER O 16 O1H0u 0.660 1.420 11.727 -1.000 15.860 -1.000 bad 3206 53 G SER CB 8 C4H2s 0.770 1.880 29.208 -1.000 23.599 -1.000 bad 3207 53 G SER OG 17 O2H1u 0.660 1.460 21.495 -1.000 18.021 -1.000 bad 3210 54 G ALA N 12 N3H1s 0.700 1.640 4.753 15.563 13.872 1.122 possible 3211 54 G ALA CA 4 C4H1b 0.770 1.880 12.683 -1.000 13.959 -1.000 bad 3212 54 G ALA C 1 C3H0s 0.770 1.610 4.108 9.312 8.858 1.051 possible 3213 54 G ALA O 16 O1H0u 0.660 1.420 25.840 -1.000 16.026 -1.000 bad 3214 54 G ALA CB 10 C4H3u 0.770 1.880 50.647 -1.000 36.551 -1.000 bad 3216 55 G ALA N 12 N3H1s 0.700 1.640 4.621 14.961 13.872 1.079 possible 3217 55 G ALA CA 4 C4H1b 0.770 1.880 11.686 -1.000 13.959 -1.000 bad 3218 55 G ALA C 1 C3H0s 0.770 1.610 3.453 9.884 8.858 1.116 possible 3219 55 G ALA O 16 O1H0u 0.660 1.420 33.286 -1.000 16.026 -1.000 bad 3220 55 G ALA CB 10 C4H3u 0.770 1.880 47.177 -1.000 36.551 -1.000 bad 3222 56 G LYS N 12 N3H1s 0.700 1.640 3.138 13.950 13.429 1.039 possible 3223 56 G LYS CA 3 C4H1s 0.770 1.880 7.686 25.231 13.217 1.909 possible 3224 56 G LYS C 1 C3H0s 0.770 1.610 4.429 10.091 8.696 1.160 possible 3225 56 G LYS O 16 O1H0u 0.660 1.420 44.766 -1.000 15.818 -1.000 bad 3226 56 G LYS CB 8 C4H2s 0.770 1.880 16.133 -1.000 22.578 -1.000 bad 3227 56 G LYS CG 8 C4H2s 0.770 1.880 21.952 -1.000 22.847 -1.000 bad 3228 56 G LYS CD 8 C4H2s 0.770 1.880 32.015 -1.000 23.365 -1.000 bad 3229 56 G LYS CE 9 C4H2b 0.770 1.880 8.456 -1.000 23.720 -1.000 bad 3230 56 G LYS NZ 14 N4H3u 0.700 1.640 37.392 -1.000 21.413 -1.000 bad 3231 56 G LYS OXT 16 O1H0u 0.660 1.420 23.541 -1.000 1.420 -1.000 bad 3237 3 H ARG N 12 N3H1s 0.700 1.640 37.999 -1.000 13.486 -1.000 bad 3238 3 H ARG CA 3 C4H1s 0.770 1.880 3.139 12.541 13.310 0.942 possible 3239 3 H ARG C 1 C3H0s 0.770 1.610 4.117 10.516 8.779 1.198 possible 3240 3 H ARG O 16 O1H0u 0.660 1.420 28.609 -1.000 15.916 -1.000 bad 3241 3 H ARG CB 8 C4H2s 0.770 1.880 26.787 -1.000 22.833 -1.000 bad 3242 3 H ARG CG 8 C4H2s 0.770 1.880 32.483 -1.000 23.273 -1.000 bad 3243 3 H ARG CD 8 C4H2s 0.770 1.880 36.354 -1.000 22.849 -1.000 bad 3244 3 H ARG NE 13 N3H1b 0.700 1.640 6.480 28.017 15.019 1.865 possible 3245 3 H ARG CZ 2 C3H0b 0.770 1.610 5.751 14.607 9.678 1.509 possible 3246 3 H ARG NH1 15 N3H2u 0.700 1.640 44.986 -1.000 22.056 -1.000 bad 3247 3 H ARG NH2 15 N3H2u 0.700 1.640 3.749 35.589 23.132 1.539 possible 3256 4 H SER N 12 N3H1s 0.700 1.640 4.252 19.258 13.808 1.395 possible 3257 4 H SER CA 3 C4H1s 0.770 1.880 5.914 28.758 13.351 2.154 possible 3258 4 H SER C 1 C3H0s 0.770 1.610 3.529 11.333 8.858 1.279 possible 3259 4 H SER O 16 O1H0u 0.660 1.420 6.077 47.548 15.860 2.998 possible 3260 4 H SER CB 8 C4H2s 0.770 1.880 5.759 45.026 23.599 1.908 possible 3261 4 H SER OG 17 O2H1u 0.660 1.460 2.541 16.316 18.021 0.905 [OK] 3264 5 H LEU N 12 N3H1s 0.700 1.640 3.538 18.505 13.517 1.369 possible 3265 5 H LEU CA 3 C4H1s 0.770 1.880 3.842 15.107 13.055 1.157 possible 3266 5 H LEU C 1 C3H0s 0.770 1.610 2.406 8.750 8.781 0.996 [OK] 3267 5 H LEU O 16 O1H0u 0.660 1.420 13.472 -1.000 15.957 -1.000 bad 3268 5 H LEU CB 8 C4H2s 0.770 1.880 2.743 21.679 22.818 0.950 [OK] 3269 5 H LEU CG 4 C4H1b 0.770 1.880 3.529 17.798 14.704 1.210 possible 3270 5 H LEU CD1 10 C4H3u 0.770 1.880 3.078 40.048 37.235 1.076 possible 3271 5 H LEU CD2 10 C4H3u 0.770 1.880 4.004 42.357 37.020 1.144 possible 3273 6 H SER N 12 N3H1s 0.700 1.640 2.352 12.270 13.808 0.889 [OK] 3274 6 H SER CA 3 C4H1s 0.770 1.880 3.896 18.041 13.351 1.351 possible 3275 6 H SER C 1 C3H0s 0.770 1.610 3.842 10.237 8.858 1.156 possible 3276 6 H SER O 16 O1H0u 0.660 1.420 11.923 -1.000 15.860 -1.000 bad 3277 6 H SER CB 8 C4H2s 0.770 1.880 2.798 22.127 23.599 0.938 [OK] 3278 6 H SER OG 17 O2H1u 0.660 1.460 2.355 15.405 18.021 0.855 [OK] 3281 7 H GLY N 12 N3H1s 0.700 1.640 3.643 14.640 14.480 1.011 possible 3282 7 H GLY CA 8 C4H2s 0.770 1.880 22.525 -1.000 23.470 -1.000 bad 3283 7 H GLY C 2 C3H0b 0.770 1.610 3.499 11.301 9.652 1.171 possible 3284 7 H GLY O 16 O1H0u 0.660 1.420 5.649 -1.000 16.154 -1.000 bad 3286 8 H LEU N 12 N3H1s 0.700 1.640 2.389 11.969 13.517 0.885 [OK] 3287 8 H LEU CA 3 C4H1s 0.770 1.880 2.890 13.061 13.055 1.000 [OK] 3288 8 H LEU C 1 C3H0s 0.770 1.610 2.401 9.170 8.781 1.044 [OK] 3289 8 H LEU O 16 O1H0u 0.660 1.420 3.843 21.325 15.957 1.336 possible 3290 8 H LEU CB 8 C4H2s 0.770 1.880 2.872 23.352 22.818 1.023 [OK] 3291 8 H LEU CG 4 C4H1b 0.770 1.880 2.753 14.075 14.704 0.957 [OK] 3292 8 H LEU CD1 10 C4H3u 0.770 1.880 4.688 48.012 37.235 1.289 possible 3293 8 H LEU CD2 10 C4H3u 0.770 1.880 5.442 68.798 37.020 1.858 possible 3295 9 H THR N 12 N3H1s 0.700 1.640 2.555 12.154 13.544 0.897 [OK] 3296 9 H THR CA 3 C4H1s 0.770 1.880 4.834 22.063 13.025 1.694 possible 3297 9 H THR C 1 C3H0s 0.770 1.610 2.403 8.254 8.685 0.950 [OK] 3298 9 H THR O 16 O1H0u 0.660 1.420 2.293 12.885 15.795 0.816 [OK] 3299 9 H THR CB 4 C4H1b 0.770 1.880 5.289 24.056 14.687 1.638 possible 3300 9 H THR OG1 17 O2H1u 0.660 1.460 4.252 20.968 17.610 1.191 possible 3301 9 H THR CG2 10 C4H3u 0.770 1.880 31.055 -1.000 36.265 -1.000 bad 3304 10 H GLU N 12 N3H1s 0.700 1.640 5.200 30.609 13.461 2.274 possible 3305 10 H GLU CA 3 C4H1s 0.770 1.880 2.851 14.023 13.284 1.056 [OK] 3306 10 H GLU C 1 C3H0s 0.770 1.610 3.300 8.824 8.631 1.022 possible 3307 10 H GLU O 16 O1H0u 0.660 1.420 2.517 14.592 15.765 0.926 [OK] 3308 10 H GLU CB 8 C4H2s 0.770 1.880 5.498 42.041 23.214 1.811 possible 3309 10 H GLU CG 8 C4H2s 0.770 1.880 7.079 36.574 23.304 1.569 possible 3310 10 H GLU CD 2 C3H0b 0.770 1.610 3.588 -1.000 9.437 -1.000 bad 3311 10 H GLU OE1 16 O1H0u 0.660 1.420 34.444 -1.000 15.497 -1.000 bad 3312 10 H GLU OE2 16 O1H0u 0.660 1.420 23.344 -1.000 16.213 -1.000 bad 3314 11 H GLU N 12 N3H1s 0.700 1.640 3.366 13.542 13.461 1.006 possible 3315 11 H GLU CA 3 C4H1s 0.770 1.880 4.001 18.576 13.284 1.398 possible 3316 11 H GLU C 1 C3H0s 0.770 1.610 2.516 8.530 8.631 0.988 [OK] 3317 11 H GLU O 16 O1H0u 0.660 1.420 2.808 20.037 15.765 1.271 [OK] 3318 11 H GLU CB 8 C4H2s 0.770 1.880 4.828 39.931 23.214 1.720 possible 3319 11 H GLU CG 8 C4H2s 0.770 1.880 37.905 -1.000 23.304 -1.000 bad 3320 11 H GLU CD 2 C3H0b 0.770 1.610 3.484 -1.000 9.437 -1.000 bad 3321 11 H GLU OE1 16 O1H0u 0.660 1.420 29.585 -1.000 15.497 -1.000 bad 3322 11 H GLU OE2 16 O1H0u 0.660 1.420 24.764 -1.000 16.213 -1.000 bad 3324 12 H GLU N 12 N3H1s 0.700 1.640 2.768 12.232 13.461 0.909 [OK] 3325 12 H GLU CA 3 C4H1s 0.770 1.880 2.889 15.051 13.284 1.133 [OK] 3326 12 H GLU C 1 C3H0s 0.770 1.610 2.278 8.361 8.631 0.969 [OK] 3327 12 H GLU O 16 O1H0u 0.660 1.420 2.700 16.114 15.765 1.022 [OK] 3328 12 H GLU CB 8 C4H2s 0.770 1.880 3.974 25.105 23.214 1.081 possible 3329 12 H GLU CG 8 C4H2s 0.770 1.880 4.933 37.288 23.304 1.600 possible 3330 12 H GLU CD 2 C3H0b 0.770 1.610 3.667 12.489 9.437 1.323 possible 3331 12 H GLU OE1 16 O1H0u 0.660 1.420 2.944 16.174 15.497 1.044 [OK] 3332 12 H GLU OE2 16 O1H0u 0.660 1.420 36.902 -1.000 16.213 -1.000 bad 3334 13 H ALA N 12 N3H1s 0.700 1.640 2.461 13.284 13.872 0.958 [OK] 3335 13 H ALA CA 4 C4H1b 0.770 1.880 2.928 15.546 13.959 1.114 [OK] 3336 13 H ALA C 1 C3H0s 0.770 1.610 2.411 8.243 8.858 0.931 [OK] 3337 13 H ALA O 16 O1H0u 0.660 1.420 2.339 15.519 16.026 0.968 [OK] 3338 13 H ALA CB 10 C4H3u 0.770 1.880 2.909 35.232 36.551 0.964 [OK] 3340 14 H ILE N 12 N3H1s 0.700 1.640 2.285 12.594 13.493 0.933 [OK] 3341 14 H ILE CA 3 C4H1s 0.770 1.880 2.734 13.375 12.946 1.033 [OK] 3342 14 H ILE C 1 C3H0s 0.770 1.610 2.706 8.088 8.445 0.958 [OK] 3343 14 H ILE O 16 O1H0u 0.660 1.420 2.824 15.855 15.930 0.995 [OK] 3344 14 H ILE CB 4 C4H1b 0.770 1.880 3.509 15.130 14.146 1.070 possible 3345 14 H ILE CG1 9 C4H2b 0.770 1.880 2.727 20.708 24.071 0.860 [OK] 3346 14 H ILE CG2 10 C4H3u 0.770 1.880 6.597 78.647 35.763 2.199 possible 3347 14 H ILE CD1 10 C4H3u 0.770 1.880 20.318 -1.000 38.219 -1.000 bad 3349 15 H ALA N 12 N3H1s 0.700 1.640 3.047 13.865 13.872 0.999 possible 3350 15 H ALA CA 4 C4H1b 0.770 1.880 3.232 16.775 13.959 1.202 possible 3351 15 H ALA C 1 C3H0s 0.770 1.610 2.171 8.385 8.858 0.947 [OK] 3352 15 H ALA O 16 O1H0u 0.660 1.420 2.342 15.565 16.026 0.971 [OK] 3353 15 H ALA CB 10 C4H3u 0.770 1.880 5.678 56.261 36.551 1.539 possible 3355 16 H VAL N 12 N3H1s 0.700 1.640 2.586 12.969 13.553 0.957 [OK] 3356 16 H VAL CA 3 C4H1s 0.770 1.880 2.483 11.789 13.078 0.901 [OK] 3357 16 H VAL C 1 C3H0s 0.770 1.610 2.495 7.349 8.528 0.862 [OK] 3358 16 H VAL O 16 O1H0u 0.660 1.420 2.552 15.324 15.998 0.958 [OK] 3359 16 H VAL CB 4 C4H1b 0.770 1.880 2.946 15.641 14.514 1.078 [OK] 3360 16 H VAL CG1 10 C4H3u 0.770 1.880 3.535 44.783 36.320 1.233 possible 3361 16 H VAL CG2 10 C4H3u 0.770 1.880 5.037 56.502 36.173 1.562 possible 3363 17 H HIS N 12 N3H1s 0.700 1.640 2.456 12.881 13.532 0.952 [OK] 3364 17 H HIS CA 3 C4H1s 0.770 1.880 2.819 13.216 13.335 0.991 [OK] 3365 17 H HIS C 1 C3H0s 0.770 1.610 2.205 8.025 8.760 0.916 [OK] 3366 17 H HIS O 16 O1H0u 0.660 1.420 2.620 14.763 15.855 0.931 [OK] 3367 17 H HIS CB 8 C4H2s 0.770 1.880 2.612 19.956 23.443 0.851 [OK] 3368 17 H HIS CG 2 C3H0b 0.770 1.610 2.376 8.642 9.870 0.876 [OK] 3369 17 H HIS ND1 13 N3H1b 0.700 1.640 2.760 16.662 15.483 1.076 [OK] 3370 17 H HIS CD2 5 C3H1s 0.770 1.760 2.985 21.444 20.938 1.024 [OK] 3371 17 H HIS CE1 5 C3H1s 0.770 1.760 2.938 18.495 20.491 0.903 [OK] 3372 17 H HIS NE2 13 N3H1b 0.700 1.640 3.003 16.741 15.758 1.062 possible 3376 18 H ASP N 12 N3H1s 0.700 1.640 2.142 11.808 13.654 0.865 [OK] 3377 18 H ASP CA 3 C4H1s 0.770 1.880 2.513 12.713 13.254 0.959 [OK] 3378 18 H ASP C 1 C3H0s 0.770 1.610 2.604 8.250 8.750 0.943 [OK] 3379 18 H ASP O 16 O1H0u 0.660 1.420 2.882 18.313 15.757 1.162 [OK] 3380 18 H ASP CB 8 C4H2s 0.770 1.880 3.273 23.436 23.022 1.018 possible 3381 18 H ASP CG 2 C3H0b 0.770 1.610 3.132 10.968 9.336 1.175 possible 3382 18 H ASP OD1 16 O1H0u 0.660 1.420 19.031 -1.000 15.078 -1.000 bad 3383 18 H ASP OD2 16 O1H0u 0.660 1.420 25.407 -1.000 15.582 -1.000 bad 3385 19 H GLN N 12 N3H1s 0.700 1.640 2.906 13.740 13.449 1.022 [OK] 3386 19 H GLN CA 3 C4H1s 0.770 1.880 3.958 17.537 13.231 1.325 possible 3387 19 H GLN C 1 C3H0s 0.770 1.610 2.183 8.309 8.744 0.950 [OK] 3388 19 H GLN O 16 O1H0u 0.660 1.420 2.292 14.339 15.767 0.909 [OK] 3389 19 H GLN CB 8 C4H2s 0.770 1.880 3.519 25.963 23.059 1.126 possible 3390 19 H GLN CG 8 C4H2s 0.770 1.880 3.896 22.919 23.218 0.987 possible 3391 19 H GLN CD 2 C3H0b 0.770 1.610 5.184 13.736 9.618 1.428 possible 3392 19 H GLN OE1 16 O1H0u 0.660 1.420 37.669 -1.000 16.571 -1.000 bad 3393 19 H GLN NE2 15 N3H2u 0.700 1.640 14.472 -1.000 23.255 -1.000 bad 3397 20 H PHE N 12 N3H1s 0.700 1.640 2.525 12.876 13.524 0.952 [OK] 3398 20 H PHE CA 3 C4H1s 0.770 1.880 2.664 13.739 13.371 1.028 [OK] 3399 20 H PHE C 1 C3H0s 0.770 1.610 2.232 7.626 8.697 0.877 [OK] 3400 20 H PHE O 16 O1H0u 0.660 1.420 2.281 14.331 15.961 0.898 [OK] 3401 20 H PHE CB 8 C4H2s 0.770 1.880 3.052 25.545 23.623 1.081 possible 3402 20 H PHE CG 2 C3H0b 0.770 1.610 2.667 10.182 9.684 1.051 [OK] 3403 20 H PHE CD1 5 C3H1s 0.770 1.760 2.945 17.200 20.325 0.846 [OK] 3404 20 H PHE CD2 6 C3H1b 0.770 1.760 3.036 21.897 20.948 1.045 possible 3405 20 H PHE CE1 6 C3H1b 0.770 1.760 2.932 20.934 21.532 0.972 [OK] 3406 20 H PHE CE2 6 C3H1b 0.770 1.760 3.168 22.262 21.625 1.029 possible 3407 20 H PHE CZ 6 C3H1b 0.770 1.760 2.978 22.754 21.555 1.056 [OK] 3409 21 H LYS N 12 N3H1s 0.700 1.640 2.824 13.260 13.429 0.987 [OK] 3410 21 H LYS CA 3 C4H1s 0.770 1.880 2.776 13.263 13.217 1.003 [OK] 3411 21 H LYS C 1 C3H0s 0.770 1.610 3.942 8.761 8.696 1.007 possible 3412 21 H LYS O 16 O1H0u 0.660 1.420 4.366 19.127 15.818 1.209 possible 3413 21 H LYS CB 8 C4H2s 0.770 1.880 4.414 24.973 22.578 1.106 possible 3414 21 H LYS CG 8 C4H2s 0.770 1.880 3.049 22.281 22.847 0.975 possible 3415 21 H LYS CD 8 C4H2s 0.770 1.880 6.583 46.255 23.365 1.980 possible 3416 21 H LYS CE 9 C4H2b 0.770 1.880 7.395 46.084 23.720 1.943 possible 3417 21 H LYS NZ 14 N4H3u 0.700 1.640 25.727 -1.000 21.413 -1.000 bad 3422 22 H THR N 12 N3H1s 0.700 1.640 3.454 13.771 13.544 1.017 possible 3423 22 H THR CA 3 C4H1s 0.770 1.880 4.858 20.530 13.025 1.576 possible 3424 22 H THR C 1 C3H0s 0.770 1.610 2.578 7.998 8.685 0.921 [OK] 3425 22 H THR O 16 O1H0u 0.660 1.420 5.385 24.797 15.795 1.570 possible 3426 22 H THR CB 4 C4H1b 0.770 1.880 3.137 13.843 14.687 0.943 possible 3427 22 H THR OG1 17 O2H1u 0.660 1.460 21.515 -1.000 17.610 -1.000 bad 3428 22 H THR CG2 10 C4H3u 0.770 1.880 50.069 -1.000 36.265 -1.000 bad 3431 23 H THR N 12 N3H1s 0.700 1.640 2.696 12.891 13.544 0.952 [OK] 3432 23 H THR CA 3 C4H1s 0.770 1.880 3.975 16.339 13.025 1.254 possible 3433 23 H THR C 1 C3H0s 0.770 1.610 2.217 8.034 8.685 0.925 [OK] 3434 23 H THR O 16 O1H0u 0.660 1.420 2.621 15.514 15.795 0.982 [OK] 3435 23 H THR CB 4 C4H1b 0.770 1.880 2.717 14.368 14.687 0.978 [OK] 3436 23 H THR OG1 17 O2H1u 0.660 1.460 7.367 54.647 17.610 3.103 possible 3437 23 H THR CG2 10 C4H3u 0.770 1.880 5.549 45.328 36.265 1.250 possible 3440 24 H PHE N 12 N3H1s 0.700 1.640 2.430 13.453 13.524 0.995 [OK] 3441 24 H PHE CA 3 C4H1s 0.770 1.880 2.844 14.406 13.371 1.077 [OK] 3442 24 H PHE C 1 C3H0s 0.770 1.610 2.345 7.926 8.697 0.911 [OK] 3443 24 H PHE O 16 O1H0u 0.660 1.420 2.492 14.975 15.961 0.938 [OK] 3444 24 H PHE CB 8 C4H2s 0.770 1.880 2.826 21.993 23.623 0.931 [OK] 3445 24 H PHE CG 2 C3H0b 0.770 1.610 2.624 9.516 9.684 0.983 [OK] 3446 24 H PHE CD1 5 C3H1s 0.770 1.760 2.832 19.769 20.325 0.973 [OK] 3447 24 H PHE CD2 6 C3H1b 0.770 1.760 3.746 22.933 20.948 1.095 possible 3448 24 H PHE CE1 6 C3H1b 0.770 1.760 2.948 24.977 21.532 1.160 [OK] 3449 24 H PHE CE2 6 C3H1b 0.770 1.760 3.839 25.630 21.625 1.185 possible 3450 24 H PHE CZ 6 C3H1b 0.770 1.760 3.048 21.071 21.555 0.978 possible 3452 25 H SER N 12 N3H1s 0.700 1.640 2.573 13.036 13.808 0.944 [OK] 3453 25 H SER CA 3 C4H1s 0.770 1.880 3.873 17.129 13.351 1.283 possible 3454 25 H SER C 1 C3H0s 0.770 1.610 4.125 9.105 8.858 1.028 possible 3455 25 H SER O 16 O1H0u 0.660 1.420 4.332 19.418 15.860 1.224 possible 3456 25 H SER CB 8 C4H2s 0.770 1.880 26.688 -1.000 23.599 -1.000 bad 3457 25 H SER OG 17 O2H1u 0.660 1.460 10.370 -1.000 18.021 -1.000 bad 3460 26 H ALA N 12 N3H1s 0.700 1.640 5.047 15.964 13.872 1.151 possible 3461 26 H ALA CA 4 C4H1b 0.770 1.880 5.591 23.432 13.959 1.679 possible 3462 26 H ALA C 1 C3H0s 0.770 1.610 2.745 8.905 8.858 1.005 [OK] 3463 26 H ALA O 16 O1H0u 0.660 1.420 2.643 16.783 16.026 1.047 [OK] 3464 26 H ALA CB 10 C4H3u 0.770 1.880 6.380 70.923 36.551 1.940 possible 3466 27 H PHE N 12 N3H1s 0.700 1.640 2.773 13.130 13.524 0.971 [OK] 3467 27 H PHE CA 3 C4H1s 0.770 1.880 3.504 17.992 13.371 1.346 possible 3468 27 H PHE C 1 C3H0s 0.770 1.610 2.510 8.123 8.697 0.934 [OK] 3469 27 H PHE O 16 O1H0u 0.660 1.420 2.785 16.402 15.961 1.028 [OK] 3470 27 H PHE CB 8 C4H2s 0.770 1.880 3.094 26.607 23.623 1.126 possible 3471 27 H PHE CG 2 C3H0b 0.770 1.610 2.762 10.398 9.684 1.074 [OK] 3472 27 H PHE CD1 5 C3H1s 0.770 1.760 4.113 33.676 20.325 1.657 possible 3473 27 H PHE CD2 6 C3H1b 0.770 1.760 2.793 23.008 20.948 1.098 [OK] 3474 27 H PHE CE1 6 C3H1b 0.770 1.760 3.445 25.614 21.532 1.190 possible 3475 27 H PHE CE2 6 C3H1b 0.770 1.760 2.870 22.015 21.625 1.018 [OK] 3476 27 H PHE CZ 6 C3H1b 0.770 1.760 3.039 24.150 21.555 1.120 possible 3478 28 H ILE N 12 N3H1s 0.700 1.640 2.467 12.795 13.493 0.948 [OK] 3479 28 H ILE CA 3 C4H1s 0.770 1.880 2.922 12.586 12.946 0.972 [OK] 3480 28 H ILE C 1 C3H0s 0.770 1.610 2.284 7.501 8.445 0.888 [OK] 3481 28 H ILE O 16 O1H0u 0.660 1.420 2.540 16.276 15.930 1.022 [OK] 3482 28 H ILE CB 4 C4H1b 0.770 1.880 4.213 18.709 14.146 1.323 possible 3483 28 H ILE CG1 9 C4H2b 0.770 1.880 4.097 28.539 24.071 1.186 possible 3484 28 H ILE CG2 10 C4H3u 0.770 1.880 4.548 42.138 35.763 1.178 possible 3485 28 H ILE CD1 10 C4H3u 0.770 1.880 3.148 39.538 38.219 1.035 possible 3487 29 H ILE N 12 N3H1s 0.700 1.640 2.476 13.177 13.493 0.977 [OK] 3488 29 H ILE CA 3 C4H1s 0.770 1.880 3.277 14.388 12.946 1.111 possible 3489 29 H ILE C 1 C3H0s 0.770 1.610 2.137 7.652 8.445 0.906 [OK] 3490 29 H ILE O 16 O1H0u 0.660 1.420 4.068 17.843 15.930 1.120 possible 3491 29 H ILE CB 4 C4H1b 0.770 1.880 7.535 -1.000 14.146 -1.000 bad 3492 29 H ILE CG1 9 C4H2b 0.770 1.880 7.352 39.189 24.071 1.628 possible 3493 29 H ILE CG2 10 C4H3u 0.770 1.880 31.202 -1.000 35.763 -1.000 bad 3494 29 H ILE CD1 10 C4H3u 0.770 1.880 34.256 -1.000 38.219 -1.000 bad 3496 30 H LEU N 12 N3H1s 0.700 1.640 2.211 11.813 13.517 0.874 [OK] 3497 30 H LEU CA 3 C4H1s 0.770 1.880 2.888 13.219 13.055 1.013 [OK] 3498 30 H LEU C 1 C3H0s 0.770 1.610 2.317 8.410 8.781 0.958 [OK] 3499 30 H LEU O 16 O1H0u 0.660 1.420 3.951 20.811 15.957 1.304 possible 3500 30 H LEU CB 8 C4H2s 0.770 1.880 3.647 27.073 22.818 1.186 possible 3501 30 H LEU CG 4 C4H1b 0.770 1.880 3.037 15.161 14.704 1.031 possible 3502 30 H LEU CD1 10 C4H3u 0.770 1.880 4.336 63.586 37.235 1.708 possible 3503 30 H LEU CD2 10 C4H3u 0.770 1.880 34.826 -1.000 37.020 -1.000 bad 3505 31 H ALA N 12 N3H1s 0.700 1.640 2.911 13.387 13.872 0.965 [OK] 3506 31 H ALA CA 4 C4H1b 0.770 1.880 2.755 13.987 13.959 1.002 [OK] 3507 31 H ALA C 1 C3H0s 0.770 1.610 2.590 8.747 8.858 0.988 [OK] 3508 31 H ALA O 16 O1H0u 0.660 1.420 2.443 14.707 16.026 0.918 [OK] 3509 31 H ALA CB 10 C4H3u 0.770 1.880 3.135 40.602 36.551 1.111 possible 3511 32 H ALA N 12 N3H1s 0.700 1.640 2.500 13.190 13.872 0.951 [OK] 3512 32 H ALA CA 4 C4H1b 0.770 1.880 3.217 16.204 13.959 1.161 possible 3513 32 H ALA C 1 C3H0s 0.770 1.610 3.628 9.171 8.858 1.035 possible 3514 32 H ALA O 16 O1H0u 0.660 1.420 2.919 17.803 16.026 1.111 [OK] 3515 32 H ALA CB 10 C4H3u 0.770 1.880 6.348 64.746 36.551 1.771 possible 3517 33 H VAL N 12 N3H1s 0.700 1.640 3.782 14.263 13.553 1.052 possible 3518 33 H VAL CA 3 C4H1s 0.770 1.880 3.756 17.191 13.078 1.314 possible 3519 33 H VAL C 1 C3H0s 0.770 1.610 2.508 7.681 8.528 0.901 [OK] 3520 33 H VAL O 16 O1H0u 0.660 1.420 3.025 15.953 15.998 0.997 possible 3521 33 H VAL CB 4 C4H1b 0.770 1.880 3.246 15.410 14.514 1.062 possible 3522 33 H VAL CG1 10 C4H3u 0.770 1.880 36.018 -1.000 36.320 -1.000 bad 3523 33 H VAL CG2 10 C4H3u 0.770 1.880 38.138 -1.000 36.173 -1.000 bad 3525 34 H ALA N 12 N3H1s 0.700 1.640 3.649 14.382 13.872 1.037 possible 3526 34 H ALA CA 4 C4H1b 0.770 1.880 3.957 17.180 13.959 1.231 possible 3527 34 H ALA C 1 C3H0s 0.770 1.610 2.138 7.873 8.858 0.889 [OK] 3528 34 H ALA O 16 O1H0u 0.660 1.420 2.344 16.731 16.026 1.044 [OK] 3529 34 H ALA CB 10 C4H3u 0.770 1.880 4.066 35.167 36.551 0.962 possible 3531 35 H HIS N 12 N3H1s 0.700 1.640 2.215 11.878 13.532 0.878 [OK] 3532 35 H HIS CA 3 C4H1s 0.770 1.880 3.282 14.925 13.335 1.119 possible 3533 35 H HIS C 1 C3H0s 0.770 1.610 2.352 8.351 8.760 0.953 [OK] 3534 35 H HIS O 16 O1H0u 0.660 1.420 2.510 14.346 15.855 0.905 [OK] 3535 35 H HIS CB 8 C4H2s 0.770 1.880 3.285 26.582 23.443 1.134 possible 3536 35 H HIS CG 2 C3H0b 0.770 1.610 3.004 10.311 9.870 1.045 possible 3537 35 H HIS ND1 13 N3H1b 0.700 1.640 2.629 14.384 15.483 0.929 [OK] 3538 35 H HIS CD2 5 C3H1s 0.770 1.760 3.167 21.795 20.938 1.041 possible 3539 35 H HIS CE1 5 C3H1s 0.770 1.760 2.798 18.435 20.491 0.900 [OK] 3540 35 H HIS NE2 13 N3H1b 0.700 1.640 2.578 12.470 15.758 0.791 [OK] 3544 36 H VAL N 12 N3H1s 0.700 1.640 2.592 12.477 13.553 0.921 [OK] 3545 36 H VAL CA 3 C4H1s 0.770 1.880 3.218 13.684 13.078 1.046 possible 3546 36 H VAL C 1 C3H0s 0.770 1.610 2.633 7.698 8.528 0.903 [OK] 3547 36 H VAL O 16 O1H0u 0.660 1.420 3.085 15.917 15.998 0.995 possible 3548 36 H VAL CB 4 C4H1b 0.770 1.880 3.859 16.034 14.514 1.105 possible 3549 36 H VAL CG1 10 C4H3u 0.770 1.880 38.868 -1.000 36.320 -1.000 bad 3550 36 H VAL CG2 10 C4H3u 0.770 1.880 25.687 -1.000 36.173 -1.000 bad 3552 37 H LEU N 12 N3H1s 0.700 1.640 2.694 13.379 13.517 0.990 [OK] 3553 37 H LEU CA 3 C4H1s 0.770 1.880 3.200 14.598 13.055 1.118 possible 3554 37 H LEU C 1 C3H0s 0.770 1.610 2.322 8.220 8.781 0.936 [OK] 3555 37 H LEU O 16 O1H0u 0.660 1.420 2.572 18.475 15.957 1.158 [OK] 3556 37 H LEU CB 8 C4H2s 0.770 1.880 3.605 25.353 22.818 1.111 possible 3557 37 H LEU CG 4 C4H1b 0.770 1.880 3.001 14.344 14.704 0.976 possible 3558 37 H LEU CD1 10 C4H3u 0.770 1.880 33.803 -1.000 37.235 -1.000 bad 3559 37 H LEU CD2 10 C4H3u 0.770 1.880 42.060 -1.000 37.020 -1.000 bad 3561 38 H VAL N 12 N3H1s 0.700 1.640 2.520 13.336 13.553 0.984 [OK] 3562 38 H VAL CA 3 C4H1s 0.770 1.880 2.849 14.444 13.078 1.104 [OK] 3563 38 H VAL C 1 C3H0s 0.770 1.610 2.568 7.721 8.528 0.905 [OK] 3564 38 H VAL O 16 O1H0u 0.660 1.420 2.524 14.881 15.998 0.930 [OK] 3565 38 H VAL CB 4 C4H1b 0.770 1.880 3.281 16.203 14.514 1.116 possible 3566 38 H VAL CG1 10 C4H3u 0.770 1.880 2.980 37.127 36.320 1.022 [OK] 3567 38 H VAL CG2 10 C4H3u 0.770 1.880 3.105 33.774 36.173 0.934 possible 3569 39 H TRP N 12 N3H1s 0.700 1.640 2.549 12.316 13.639 0.903 [OK] 3570 39 H TRP CA 3 C4H1s 0.770 1.880 2.811 14.139 13.323 1.061 [OK] 3571 39 H TRP C 1 C3H0s 0.770 1.610 2.238 7.648 8.687 0.880 [OK] 3572 39 H TRP O 16 O1H0u 0.660 1.420 5.069 22.594 15.797 1.430 possible 3573 39 H TRP CB 8 C4H2s 0.770 1.880 3.287 20.010 23.826 0.840 possible 3574 39 H TRP CG 2 C3H0b 0.770 1.610 2.374 9.121 9.915 0.920 [OK] 3575 39 H TRP CD1 5 C3H1s 0.770 1.760 6.834 44.948 20.597 2.182 possible 3576 39 H TRP CD2 2 C3H0b 0.770 1.610 2.374 9.614 10.068 0.955 [OK] 3577 39 H TRP NE1 13 N3H1b 0.700 1.640 23.722 -1.000 16.723 -1.000 bad 3578 39 H TRP CE2 2 C3H0b 0.770 1.610 3.483 10.609 9.848 1.077 possible 3579 39 H TRP CE3 6 C3H1b 0.770 1.760 2.460 16.317 20.383 0.801 [OK] 3580 39 H TRP CZ2 6 C3H1b 0.770 1.760 23.709 -1.000 20.931 -1.000 bad 3581 39 H TRP CZ3 6 C3H1b 0.770 1.760 2.848 20.005 21.429 0.934 [OK] 3582 39 H TRP CH2 6 C3H1b 0.770 1.760 6.171 35.264 21.219 1.662 possible 3585 40 H VAL N 12 N3H1s 0.700 1.640 2.826 12.629 13.553 0.932 [OK] 3586 40 H VAL CA 3 C4H1s 0.770 1.880 5.502 18.830 13.078 1.440 possible 3587 40 H VAL C 1 C3H0s 0.770 1.610 2.367 7.864 8.528 0.922 [OK] 3588 40 H VAL O 16 O1H0u 0.660 1.420 26.814 -1.000 15.998 -1.000 bad 3589 40 H VAL CB 4 C4H1b 0.770 1.880 3.241 14.030 14.514 0.967 possible 3590 40 H VAL CG1 10 C4H3u 0.770 1.880 29.031 -1.000 36.320 -1.000 bad 3591 40 H VAL CG2 10 C4H3u 0.770 1.880 45.480 -1.000 36.173 -1.000 bad 3593 41 H TRP N 12 N3H1s 0.700 1.640 2.529 12.352 13.639 0.906 [OK] 3594 41 H TRP CA 3 C4H1s 0.770 1.880 5.095 20.744 13.323 1.557 possible 3595 41 H TRP C 1 C3H0s 0.770 1.610 2.726 8.912 8.687 1.026 [OK] 3596 41 H TRP O 16 O1H0u 0.660 1.420 22.180 -1.000 15.797 -1.000 bad 3597 41 H TRP CB 8 C4H2s 0.770 1.880 3.578 25.989 23.826 1.091 possible 3598 41 H TRP CG 2 C3H0b 0.770 1.610 2.332 9.028 9.915 0.911 [OK] 3599 41 H TRP CD1 5 C3H1s 0.770 1.760 12.167 -1.000 20.597 -1.000 bad 3600 41 H TRP CD2 2 C3H0b 0.770 1.610 2.339 9.381 10.068 0.932 [OK] 3601 41 H TRP NE1 13 N3H1b 0.700 1.640 7.979 64.975 16.723 3.885 possible 3602 41 H TRP CE2 2 C3H0b 0.770 1.610 2.531 9.986 9.848 1.014 [OK] 3603 41 H TRP CE3 6 C3H1b 0.770 1.760 2.977 23.757 20.383 1.166 [OK] 3604 41 H TRP CZ2 6 C3H1b 0.770 1.760 4.258 36.458 20.931 1.742 possible 3605 41 H TRP CZ3 6 C3H1b 0.770 1.760 3.272 25.267 21.429 1.179 possible 3606 41 H TRP CH2 6 C3H1b 0.770 1.760 3.261 26.607 21.219 1.254 possible 3609 42 H LYS N 12 N3H1s 0.700 1.640 2.557 13.621 13.429 1.014 [OK] 3610 42 H LYS CA 3 C4H1s 0.770 1.880 3.737 14.738 13.217 1.115 possible 3611 42 H LYS C 1 C3H0s 0.770 1.610 2.447 8.767 8.696 1.008 [OK] 3612 42 H LYS O 16 O1H0u 0.660 1.420 2.538 18.259 15.818 1.154 [OK] 3613 42 H LYS CB 8 C4H2s 0.770 1.880 3.065 23.211 22.578 1.028 possible 3614 42 H LYS CG 8 C4H2s 0.770 1.880 3.840 28.392 22.847 1.243 possible 3615 42 H LYS CD 8 C4H2s 0.770 1.880 2.860 24.463 23.365 1.047 [OK] 3616 42 H LYS CE 9 C4H2b 0.770 1.880 3.076 26.359 23.720 1.111 possible 3617 42 H LYS NZ 14 N4H3u 0.700 1.640 25.074 -1.000 21.413 -1.000 bad 3622 43 H PRO N 11 N3H0u 0.700 1.640 2.567 8.438 8.650 0.975 [OK] 3623 43 H PRO CA 4 C4H1b 0.770 1.880 2.599 13.716 13.828 0.992 [OK] 3624 43 H PRO C 1 C3H0s 0.770 1.610 2.352 8.198 8.768 0.935 [OK] 3625 43 H PRO O 16 O1H0u 0.660 1.420 2.932 22.786 15.856 1.437 [OK] 3626 43 H PRO CB 9 C4H2b 0.770 1.880 4.216 27.005 25.314 1.067 possible 3627 43 H PRO CG 9 C4H2b 0.770 1.880 14.729 -1.000 25.480 -1.000 bad 3628 43 H PRO CD 8 C4H2s 0.770 1.880 6.747 60.345 23.390 2.580 possible 3629 44 H TRP N 12 N3H1s 0.700 1.640 2.532 13.103 13.639 0.961 [OK] 3630 44 H TRP CA 3 C4H1s 0.770 1.880 3.119 15.359 13.323 1.153 possible 3631 44 H TRP C 1 C3H0s 0.770 1.610 2.757 9.523 8.687 1.096 [OK] 3632 44 H TRP O 16 O1H0u 0.660 1.420 2.607 18.638 15.797 1.180 [OK] 3633 44 H TRP CB 8 C4H2s 0.770 1.880 3.105 29.423 23.826 1.235 possible 3634 44 H TRP CG 2 C3H0b 0.770 1.610 2.301 9.236 9.915 0.932 [OK] 3635 44 H TRP CD1 5 C3H1s 0.770 1.760 2.909 21.711 20.597 1.054 [OK] 3636 44 H TRP CD2 2 C3H0b 0.770 1.610 2.186 8.865 10.068 0.881 [OK] 3637 44 H TRP NE1 13 N3H1b 0.700 1.640 2.634 15.035 16.723 0.899 [OK] 3638 44 H TRP CE2 2 C3H0b 0.770 1.610 2.408 8.781 9.848 0.892 [OK] 3639 44 H TRP CE3 6 C3H1b 0.770 1.760 2.722 19.882 20.383 0.975 [OK] 3640 44 H TRP CZ2 6 C3H1b 0.770 1.760 2.670 18.853 20.931 0.901 [OK] 3641 44 H TRP CZ3 6 C3H1b 0.770 1.760 3.138 19.026 21.429 0.888 possible 3642 44 H TRP CH2 6 C3H1b 0.770 1.760 3.140 20.096 21.219 0.947 possible 3645 45 H PHE N 12 N3H1s 0.700 1.640 3.005 14.427 13.524 1.067 possible 3646 45 H PHE CA 3 C4H1s 0.770 1.880 3.131 13.753 13.371 1.029 possible 3647 45 H PHE C 1 C3H0s 0.770 1.610 3.929 11.298 8.697 1.299 possible 3648 45 H PHE O 16 O1H0u 0.660 1.420 10.153 -1.000 15.961 -1.000 bad 3649 45 H PHE CB 8 C4H2s 0.770 1.880 5.334 32.952 23.623 1.395 possible 3650 45 H PHE CG 2 C3H0b 0.770 1.610 2.857 9.768 9.684 1.009 [OK] 3651 45 H PHE CD1 5 C3H1s 0.770 1.760 2.612 16.574 20.325 0.815 [OK] 3652 45 H PHE CD2 6 C3H1b 0.770 1.760 4.993 32.364 20.948 1.545 possible 3653 45 H PHE CE1 6 C3H1b 0.770 1.760 3.081 25.105 21.532 1.166 possible 3654 45 H PHE CE2 6 C3H1b 0.770 1.760 4.897 29.975 21.625 1.386 possible 3655 45 H PHE CZ 6 C3H1b 0.770 1.760 2.944 22.270 21.555 1.033 [OK] 3656 45 H PHE OXT 16 O1H0u 0.660 1.420 10.039 -1.000 1.420 -1.000 bad 3659 57 i BCL MG i 25 DEFAULT 0.770 1.800 2.566 15.157 1.800 8.420 [OK] 3660 57 i BCL CHA 9 C4H2b 0.770 1.880 2.503 10.532 1.880 5.602 [OK] 3661 57 i BCL CHB 9 C4H2b 0.770 1.880 6.006 45.531 1.880 24.219 possible 3662 57 i BCL CHC 9 C4H2b 0.770 1.880 5.122 19.729 1.880 10.494 possible 3663 57 i BCL CHD 9 C4H2b 0.770 1.880 2.930 20.712 1.880 11.017 [OK] 3664 57 i BCL N A 14 N4H3u 0.700 1.640 2.451 10.688 1.640 6.517 [OK] 3665 57 i BCL C1A 9 C4H2b 0.770 1.880 2.581 11.134 1.880 5.922 [OK] 3666 57 i BCL C2A 9 C4H2b 0.770 1.880 3.473 13.767 1.880 7.323 possible 3667 57 i BCL C3A 9 C4H2b 0.770 1.880 6.178 27.139 1.880 14.435 possible 3668 57 i BCL C4A 9 C4H2b 0.770 1.880 4.520 12.951 1.880 6.889 possible 3669 57 i BCL CMA 9 C4H2b 0.770 1.880 43.225 -1.000 1.880 -1.000 bad 3670 57 i BCL CAA 9 C4H2b 0.770 1.880 4.121 25.923 1.880 13.789 possible 3671 57 i BCL CBA 9 C4H2b 0.770 1.880 6.144 54.017 1.880 28.732 possible 3672 57 i BCL CGA 9 C4H2b 0.770 1.880 3.663 12.076 1.880 6.424 possible 3673 57 i BCL O1A 17 O2H1u 0.660 1.460 7.151 57.052 1.460 39.077 possible 3674 57 i BCL O2A 17 O2H1u 0.660 1.460 3.095 17.935 1.460 12.284 possible 3675 57 i BCL N B 14 N4H3u 0.700 1.640 3.447 11.866 1.640 7.235 possible 3676 57 i BCL C1B 9 C4H2b 0.770 1.880 4.193 15.961 1.880 8.490 possible 3677 57 i BCL C2B 9 C4H2b 0.770 1.880 6.945 24.445 1.880 13.003 possible 3678 57 i BCL C3B 9 C4H2b 0.770 1.880 5.157 17.488 1.880 9.302 possible 3679 57 i BCL C4B 9 C4H2b 0.770 1.880 5.098 15.628 1.880 8.313 possible 3680 57 i BCL CMB 9 C4H2b 0.770 1.880 58.166 -1.000 1.880 -1.000 bad 3681 57 i BCL CAB 9 C4H2b 0.770 1.880 12.771 -1.000 1.880 -1.000 bad 3682 57 i BCL OBB 17 O2H1u 0.660 1.460 1.190 -1.000 1.460 -1.000 bad 3683 57 i BCL CBB 9 C4H2b 0.770 1.880 44.919 -1.000 1.880 -1.000 bad 3684 57 i BCL N C 14 N4H3u 0.700 1.640 2.640 12.689 1.640 7.737 [OK] 3685 57 i BCL C1C 9 C4H2b 0.770 1.880 3.129 12.066 1.880 6.418 possible 3686 57 i BCL C2C 9 C4H2b 0.770 1.880 2.661 12.684 1.880 6.747 [OK] 3687 57 i BCL C3C 9 C4H2b 0.770 1.880 3.019 13.162 1.880 7.001 possible 3688 57 i BCL C4C 9 C4H2b 0.770 1.880 2.747 10.602 1.880 5.639 [OK] 3689 57 i BCL CMC 9 C4H2b 0.770 1.880 16.392 -1.000 1.880 -1.000 bad 3690 57 i BCL CAC 9 C4H2b 0.770 1.880 3.207 27.709 1.880 14.739 possible 3691 57 i BCL CBC 9 C4H2b 0.770 1.880 3.128 41.308 1.880 21.973 possible 3692 57 i BCL N D 14 N4H3u 0.700 1.640 2.339 10.670 1.640 6.506 [OK] 3693 57 i BCL C1D 9 C4H2b 0.770 1.880 2.747 10.750 1.880 5.718 [OK] 3694 57 i BCL C2D 9 C4H2b 0.770 1.880 2.846 10.759 1.880 5.723 [OK] 3695 57 i BCL C3D 9 C4H2b 0.770 1.880 2.480 10.586 1.880 5.631 [OK] 3696 57 i BCL C4D 9 C4H2b 0.770 1.880 2.605 11.046 1.880 5.876 [OK] 3697 57 i BCL CMD 9 C4H2b 0.770 1.880 3.287 34.774 1.880 18.497 possible 3698 57 i BCL CAD 9 C4H2b 0.770 1.880 2.392 9.567 1.880 5.089 [OK] 3699 57 i BCL OBD 17 O2H1u 0.660 1.460 2.719 18.061 1.460 12.371 [OK] 3700 57 i BCL CBD 9 C4H2b 0.770 1.880 3.197 14.114 1.880 7.507 possible 3701 57 i BCL CGD 9 C4H2b 0.770 1.880 2.408 9.524 1.880 5.066 [OK] 3702 57 i BCL O1D 17 O2H1u 0.660 1.460 3.876 28.304 1.460 19.386 possible 3703 57 i BCL O2D 17 O2H1u 0.660 1.460 2.421 13.261 1.460 9.083 [OK] 3704 57 i BCL CED 9 C4H2b 0.770 1.880 5.057 73.324 1.880 39.002 possible 3705 57 i BCL C1 9 C4H2b 0.770 1.880 3.148 21.348 1.880 11.355 possible 3706 57 i BCL C2 9 C4H2b 0.770 1.880 3.222 20.333 1.880 10.815 possible 3707 57 i BCL C3 9 C4H2b 0.770 1.880 3.152 12.109 1.880 6.441 possible 3708 57 i BCL C4 9 C4H2b 0.770 1.880 3.031 34.562 1.880 18.384 possible 3709 57 i BCL C5 9 C4H2b 0.770 1.880 4.337 28.114 1.880 14.954 possible 3710 57 i BCL C6 9 C4H2b 0.770 1.880 4.204 24.065 1.880 12.800 possible 3711 57 i BCL C7 9 C4H2b 0.770 1.880 21.660 -1.000 1.880 -1.000 bad 3712 57 i BCL C8 9 C4H2b 0.770 1.880 10.652 -1.000 1.880 -1.000 bad 3713 57 i BCL C9 9 C4H2b 0.770 1.880 20.892 -1.000 1.880 -1.000 bad 3714 57 i BCL C10 9 C4H2b 0.770 1.880 5.261 42.703 1.880 22.714 possible 3715 57 i BCL C11 9 C4H2b 0.770 1.880 7.413 51.038 1.880 27.148 possible 3716 57 i BCL C12 9 C4H2b 0.770 1.880 4.610 40.312 1.880 21.443 possible 3717 57 i BCL C13 9 C4H2b 0.770 1.880 7.474 44.667 1.880 23.759 possible 3718 57 i BCL C14 9 C4H2b 0.770 1.880 6.619 56.606 1.880 30.110 possible 3719 57 i BCL C15 9 C4H2b 0.770 1.880 11.531 -1.000 1.880 -1.000 bad 3720 57 i BCL C16 9 C4H2b 0.770 1.880 25.531 -1.000 1.880 -1.000 bad 3721 57 i BCL C17 9 C4H2b 0.770 1.880 23.169 -1.000 1.880 -1.000 bad 3722 57 i BCL C18 9 C4H2b 0.770 1.880 3.808 16.649 1.880 8.856 possible 3723 57 i BCL C19 9 C4H2b 0.770 1.880 60.565 -1.000 1.880 -1.000 bad 3724 57 i BCL C20 9 C4H2b 0.770 1.880 57.117 -1.000 1.880 -1.000 bad 3725 58 i BCL MG i 25 DEFAULT 0.770 1.800 2.960 16.112 1.800 8.951 [OK] 3726 58 i BCL CHA 9 C4H2b 0.770 1.880 2.643 10.110 1.880 5.378 [OK] 3727 58 i BCL CHB 9 C4H2b 0.770 1.880 4.675 28.179 1.880 14.989 possible 3728 58 i BCL CHC 9 C4H2b 0.770 1.880 3.001 17.048 1.880 9.068 possible 3729 58 i BCL CHD 9 C4H2b 0.770 1.880 2.867 22.051 1.880 11.729 [OK] 3730 58 i BCL N A 14 N4H3u 0.700 1.640 2.480 11.880 1.640 7.244 [OK] 3731 58 i BCL C1A 9 C4H2b 0.770 1.880 2.739 10.533 1.880 5.603 [OK] 3732 58 i BCL C2A 9 C4H2b 0.770 1.880 3.412 13.647 1.880 7.259 possible 3733 58 i BCL C3A 9 C4H2b 0.770 1.880 3.660 16.927 1.880 9.004 possible 3734 58 i BCL C4A 9 C4H2b 0.770 1.880 2.567 10.873 1.880 5.784 [OK] 3735 58 i BCL CMA 9 C4H2b 0.770 1.880 35.309 -1.000 1.880 -1.000 bad 3736 58 i BCL CAA 9 C4H2b 0.770 1.880 2.779 22.634 1.880 12.040 [OK] 3737 58 i BCL CBA 9 C4H2b 0.770 1.880 6.548 56.566 1.880 30.088 possible 3738 58 i BCL CGA 9 C4H2b 0.770 1.880 3.134 12.872 1.880 6.847 possible 3739 58 i BCL O1A 17 O2H1u 0.660 1.460 2.601 17.759 1.460 12.163 [OK] 3740 58 i BCL O2A 17 O2H1u 0.660 1.460 3.707 21.206 1.460 14.525 possible 3741 58 i BCL N B 14 N4H3u 0.700 1.640 2.830 12.165 1.640 7.418 [OK] 3742 58 i BCL C1B 9 C4H2b 0.770 1.880 2.763 11.993 1.880 6.379 [OK] 3743 58 i BCL C2B 9 C4H2b 0.770 1.880 2.881 11.765 1.880 6.258 [OK] 3744 58 i BCL C3B 9 C4H2b 0.770 1.880 2.824 10.278 1.880 5.467 [OK] 3745 58 i BCL C4B 9 C4H2b 0.770 1.880 2.976 10.847 1.880 5.770 [OK] 3746 58 i BCL CMB 9 C4H2b 0.770 1.880 7.523 107.444 1.880 57.151 possible 3747 58 i BCL CAB 9 C4H2b 0.770 1.880 2.576 11.752 1.880 6.251 [OK] 3748 58 i BCL OBB 17 O2H1u 0.660 1.460 2.296 13.007 1.460 8.909 [OK] 3749 58 i BCL CBB 9 C4H2b 0.770 1.880 6.939 65.631 1.880 34.910 possible 3750 58 i BCL N C 14 N4H3u 0.700 1.640 2.821 11.405 1.640 6.954 [OK] 3751 58 i BCL C1C 9 C4H2b 0.770 1.880 3.024 10.640 1.880 5.660 possible 3752 58 i BCL C2C 9 C4H2b 0.770 1.880 2.627 12.979 1.880 6.904 [OK] 3753 58 i BCL C3C 9 C4H2b 0.770 1.880 2.738 14.009 1.880 7.452 [OK] 3754 58 i BCL C4C 9 C4H2b 0.770 1.880 2.722 10.952 1.880 5.826 [OK] 3755 58 i BCL CMC 9 C4H2b 0.770 1.880 3.256 40.357 1.880 21.467 possible 3756 58 i BCL CAC 9 C4H2b 0.770 1.880 2.909 23.300 1.880 12.394 [OK] 3757 58 i BCL CBC 9 C4H2b 0.770 1.880 3.044 36.669 1.880 19.505 possible 3758 58 i BCL N D 14 N4H3u 0.700 1.640 2.395 10.855 1.640 6.619 [OK] 3759 58 i BCL C1D 9 C4H2b 0.770 1.880 2.566 10.440 1.880 5.553 [OK] 3760 58 i BCL C2D 9 C4H2b 0.770 1.880 2.475 10.072 1.880 5.357 [OK] 3761 58 i BCL C3D 9 C4H2b 0.770 1.880 2.663 11.984 1.880 6.374 [OK] 3762 58 i BCL C4D 9 C4H2b 0.770 1.880 2.415 10.214 1.880 5.433 [OK] 3763 58 i BCL CMD 9 C4H2b 0.770 1.880 3.008 32.493 1.880 17.284 possible 3764 58 i BCL CAD 9 C4H2b 0.770 1.880 2.810 11.613 1.880 6.177 [OK] 3765 58 i BCL OBD 17 O2H1u 0.660 1.460 2.647 17.645 1.460 12.086 [OK] 3766 58 i BCL CBD 9 C4H2b 0.770 1.880 2.768 14.429 1.880 7.675 [OK] 3767 58 i BCL CGD 9 C4H2b 0.770 1.880 2.654 10.030 1.880 5.335 [OK] 3768 58 i BCL O1D 17 O2H1u 0.660 1.460 4.571 24.007 1.460 16.443 possible 3769 58 i BCL O2D 17 O2H1u 0.660 1.460 3.585 18.270 1.460 12.513 possible 3770 58 i BCL CED 9 C4H2b 0.770 1.880 32.820 -1.000 1.880 -1.000 bad 3771 58 i BCL C1 9 C4H2b 0.770 1.880 19.851 -1.000 1.880 -1.000 bad 3772 58 i BCL C2 9 C4H2b 0.770 1.880 5.840 -1.000 1.880 -1.000 bad 3773 58 i BCL C3 9 C4H2b 0.770 1.880 3.323 -1.000 1.880 -1.000 bad 3774 58 i BCL C4 9 C4H2b 0.770 1.880 23.774 -1.000 1.880 -1.000 bad 3775 58 i BCL C5 9 C4H2b 0.770 1.880 5.115 -1.000 1.880 -1.000 bad 3776 58 i BCL C6 9 C4H2b 0.770 1.880 18.820 -1.000 1.880 -1.000 bad 3777 58 i BCL C7 9 C4H2b 0.770 1.880 6.500 37.954 1.880 20.188 possible 3778 58 i BCL C8 9 C4H2b 0.770 1.880 35.655 -1.000 1.880 -1.000 bad 3779 58 i BCL C9 9 C4H2b 0.770 1.880 24.292 -1.000 1.880 -1.000 bad 3780 59 i BCL MG i 25 DEFAULT 0.770 1.800 2.652 15.447 1.800 8.582 [OK] 3781 59 i BCL CHA 9 C4H2b 0.770 1.880 2.862 10.785 1.880 5.736 [OK] 3782 59 i BCL CHB 9 C4H2b 0.770 1.880 3.271 23.631 1.880 12.570 possible 3783 59 i BCL CHC 9 C4H2b 0.770 1.880 2.802 15.595 1.880 8.295 [OK] 3784 59 i BCL CHD 9 C4H2b 0.770 1.880 2.973 22.145 1.880 11.780 [OK] 3785 59 i BCL N A 14 N4H3u 0.700 1.640 2.603 11.267 1.640 6.870 [OK] 3786 59 i BCL C1A 9 C4H2b 0.770 1.880 3.029 11.787 1.880 6.270 possible 3787 59 i BCL C2A 9 C4H2b 0.770 1.880 2.788 12.454 1.880 6.625 [OK] 3788 59 i BCL C3A 9 C4H2b 0.770 1.880 2.982 14.150 1.880 7.527 [OK] 3789 59 i BCL C4A 9 C4H2b 0.770 1.880 2.740 11.176 1.880 5.945 [OK] 3790 59 i BCL CMA 9 C4H2b 0.770 1.880 3.307 41.754 1.880 22.210 possible 3791 59 i BCL CAA 9 C4H2b 0.770 1.880 3.175 25.144 1.880 13.374 possible 3792 59 i BCL CBA 9 C4H2b 0.770 1.880 2.981 24.071 1.880 12.804 [OK] 3793 59 i BCL CGA 9 C4H2b 0.770 1.880 2.643 10.167 1.880 5.408 [OK] 3794 59 i BCL O1A 17 O2H1u 0.660 1.460 2.502 17.124 1.460 11.729 [OK] 3795 59 i BCL O2A 17 O2H1u 0.660 1.460 2.588 14.105 1.460 9.661 [OK] 3796 59 i BCL N B 14 N4H3u 0.700 1.640 2.327 10.928 1.640 6.664 [OK] 3797 59 i BCL C1B 9 C4H2b 0.770 1.880 2.580 10.386 1.880 5.524 [OK] 3798 59 i BCL C2B 9 C4H2b 0.770 1.880 2.495 11.057 1.880 5.882 [OK] 3799 59 i BCL C3B 9 C4H2b 0.770 1.880 2.702 11.337 1.880 6.030 [OK] 3800 59 i BCL C4B 9 C4H2b 0.770 1.880 2.740 10.671 1.880 5.676 [OK] 3801 59 i BCL CMB 9 C4H2b 0.770 1.880 5.616 59.051 1.880 31.410 possible 3802 59 i BCL CAB 9 C4H2b 0.770 1.880 3.877 14.961 1.880 7.958 possible 3803 59 i BCL OBB 17 O2H1u 0.660 1.460 2.548 13.577 1.460 9.299 [OK] 3804 59 i BCL CBB 9 C4H2b 0.770 1.880 4.315 44.333 1.880 23.581 possible 3805 59 i BCL N C 14 N4H3u 0.700 1.640 2.801 12.347 1.640 7.529 [OK] 3806 59 i BCL C1C 9 C4H2b 0.770 1.880 2.795 11.460 1.880 6.096 [OK] 3807 59 i BCL C2C 9 C4H2b 0.770 1.880 2.551 12.491 1.880 6.644 [OK] 3808 59 i BCL C3C 9 C4H2b 0.770 1.880 2.945 14.025 1.880 7.460 [OK] 3809 59 i BCL C4C 9 C4H2b 0.770 1.880 2.971 11.868 1.880 6.313 [OK] 3810 59 i BCL CMC 9 C4H2b 0.770 1.880 3.035 35.824 1.880 19.055 possible 3811 59 i BCL CAC 9 C4H2b 0.770 1.880 3.283 27.588 1.880 14.674 possible 3812 59 i BCL CBC 9 C4H2b 0.770 1.880 2.985 38.499 1.880 20.478 [OK] 3813 59 i BCL N D 14 N4H3u 0.700 1.640 2.598 10.674 1.640 6.509 [OK] 3814 59 i BCL C1D 9 C4H2b 0.770 1.880 2.485 9.643 1.880 5.129 [OK] 3815 59 i BCL C2D 9 C4H2b 0.770 1.880 2.727 10.154 1.880 5.401 [OK] 3816 59 i BCL C3D 9 C4H2b 0.770 1.880 2.854 11.503 1.880 6.119 [OK] 3817 59 i BCL C4D 9 C4H2b 0.770 1.880 2.862 11.409 1.880 6.068 [OK] 3818 59 i BCL CMD 9 C4H2b 0.770 1.880 3.274 34.343 1.880 18.268 possible 3819 59 i BCL CAD 9 C4H2b 0.770 1.880 2.716 10.200 1.880 5.426 [OK] 3820 59 i BCL OBD 17 O2H1u 0.660 1.460 2.682 17.855 1.460 12.230 [OK] 3821 59 i BCL CBD 9 C4H2b 0.770 1.880 3.156 14.620 1.880 7.777 possible 3822 59 i BCL CGD 9 C4H2b 0.770 1.880 2.393 9.715 1.880 5.168 [OK] 3823 59 i BCL O1D 17 O2H1u 0.660 1.460 2.779 19.788 1.460 13.554 [OK] 3824 59 i BCL O2D 17 O2H1u 0.660 1.460 2.731 17.160 1.460 11.753 [OK] 3825 59 i BCL CED 9 C4H2b 0.770 1.880 3.021 37.723 1.880 20.066 possible 3826 59 i BCL C1 9 C4H2b 0.770 1.880 2.969 23.450 1.880 12.474 [OK] 3827 59 i BCL C2 9 C4H2b 0.770 1.880 3.159 23.883 1.880 12.704 possible 3828 59 i BCL C3 9 C4H2b 0.770 1.880 3.078 11.675 1.880 6.210 possible 3829 59 i BCL C4 9 C4H2b 0.770 1.880 3.531 46.005 1.880 24.471 possible 3830 59 i BCL C5 9 C4H2b 0.770 1.880 2.994 20.347 1.880 10.823 [OK] 3831 59 i BCL C6 9 C4H2b 0.770 1.880 3.373 23.644 1.880 12.577 possible 3832 59 i BCL C7 9 C4H2b 0.770 1.880 3.328 24.624 1.880 13.098 possible 3833 59 i BCL C8 9 C4H2b 0.770 1.880 3.531 16.243 1.880 8.640 possible 3834 59 i BCL C9 9 C4H2b 0.770 1.880 3.044 34.553 1.880 18.379 possible 3835 59 i BCL C10 9 C4H2b 0.770 1.880 3.002 24.457 1.880 13.009 possible 3836 59 i BCL C11 9 C4H2b 0.770 1.880 2.816 20.594 1.880 10.954 [OK] 3837 59 i BCL C12 9 C4H2b 0.770 1.880 3.504 27.380 1.880 14.564 possible 3838 59 i BCL C13 9 C4H2b 0.770 1.880 2.946 15.480 1.880 8.234 [OK] 3839 59 i BCL C14 9 C4H2b 0.770 1.880 3.412 43.840 1.880 23.319 possible 3840 59 i BCL C15 9 C4H2b 0.770 1.880 3.370 27.608 1.880 14.685 possible 3841 59 i BCL C16 9 C4H2b 0.770 1.880 3.531 24.953 1.880 13.273 possible 3842 59 i BCL C17 9 C4H2b 0.770 1.880 3.534 25.480 1.880 13.553 possible 3843 59 i BCL C18 9 C4H2b 0.770 1.880 3.387 19.982 1.880 10.629 possible 3844 59 i BCL C19 9 C4H2b 0.770 1.880 3.480 37.596 1.880 19.998 possible 3845 59 i BCL C20 9 C4H2b 0.770 1.880 3.690 45.188 1.880 24.036 possible 3846 97 i LYC C1 9 C4H2b 0.770 1.880 67.001 -1.000 1.880 -1.000 bad 3847 97 i LYC C2 9 C4H2b 0.770 1.880 4.707 -1.000 1.880 -1.000 bad 3848 97 i LYC C3 9 C4H2b 0.770 1.880 18.023 -1.000 1.880 -1.000 bad 3849 97 i LYC C4 9 C4H2b 0.770 1.880 15.480 -1.000 1.880 -1.000 bad 3850 97 i LYC C5 9 C4H2b 0.770 1.880 5.214 35.687 1.880 18.982 possible 3851 97 i LYC C6 9 C4H2b 0.770 1.880 4.576 25.246 1.880 13.429 possible 3852 97 i LYC C7 9 C4H2b 0.770 1.880 6.018 22.160 1.880 11.787 possible 3853 97 i LYC C8 9 C4H2b 0.770 1.880 47.650 -1.000 1.880 -1.000 bad 3854 97 i LYC C9 9 C4H2b 0.770 1.880 4.400 26.978 1.880 14.350 possible 3855 97 i LYC C10 9 C4H2b 0.770 1.880 5.149 33.866 1.880 18.014 possible 3856 97 i LYC C11 9 C4H2b 0.770 1.880 3.170 23.488 1.880 12.494 possible 3857 97 i LYC C12 9 C4H2b 0.770 1.880 2.919 12.148 1.880 6.462 [OK] 3858 97 i LYC C13 9 C4H2b 0.770 1.880 20.253 -1.000 1.880 -1.000 bad 3859 97 i LYC C14 9 C4H2b 0.770 1.880 2.898 20.932 1.880 11.134 [OK] 3860 97 i LYC C15 9 C4H2b 0.770 1.880 3.041 20.766 1.880 11.046 possible 3861 97 i LYC C16 9 C4H2b 0.770 1.880 2.836 21.479 1.880 11.425 [OK] 3862 97 i LYC C17 9 C4H2b 0.770 1.880 2.618 11.393 1.880 6.060 [OK] 3863 97 i LYC C18 9 C4H2b 0.770 1.880 3.094 38.737 1.880 20.605 possible 3864 97 i LYC C19 9 C4H2b 0.770 1.880 2.771 20.169 1.880 10.728 [OK] 3865 97 i LYC C20 9 C4H2b 0.770 1.880 2.865 19.772 1.880 10.517 [OK] 3866 97 i LYC C21 9 C4H2b 0.770 1.880 3.056 20.238 1.880 10.765 possible 3867 97 i LYC C50 9 C4H2b 0.770 1.880 3.016 22.606 1.880 12.025 possible 3868 97 i LYC C51 9 C4H2b 0.770 1.880 2.960 12.977 1.880 6.903 [OK] 3869 97 i LYC C52 9 C4H2b 0.770 1.880 3.496 43.724 1.880 23.257 possible 3870 97 i LYC C53 9 C4H2b 0.770 1.880 3.047 22.163 1.880 11.789 possible 3871 97 i LYC C54 9 C4H2b 0.770 1.880 3.332 26.475 1.880 14.083 possible 3872 97 i LYC C55 9 C4H2b 0.770 1.880 2.930 22.775 1.880 12.114 [OK] 3873 97 i LYC C56 9 C4H2b 0.770 1.880 3.076 12.095 1.880 6.434 possible 3874 97 i LYC C57 9 C4H2b 0.770 1.880 3.290 44.462 1.880 23.650 possible 3875 97 i LYC C58 9 C4H2b 0.770 1.880 2.974 24.066 1.880 12.801 [OK] 3876 97 i LYC C59 9 C4H2b 0.770 1.880 2.812 20.200 1.880 10.744 [OK] 3877 97 i LYC C60 9 C4H2b 0.770 1.880 3.269 22.972 1.880 12.219 possible 3878 97 i LYC C61 9 C4H2b 0.770 1.880 2.972 11.643 1.880 6.193 [OK] 3879 97 i LYC C62 9 C4H2b 0.770 1.880 2.863 34.342 1.880 18.267 [OK] 3880 97 i LYC C63 9 C4H2b 0.770 1.880 2.844 19.373 1.880 10.305 [OK] 3881 97 i LYC C64 9 C4H2b 0.770 1.880 3.303 27.117 1.880 14.424 possible 3882 97 i LYC C65 9 C4H2b 0.770 1.880 2.807 19.258 1.880 10.244 [OK] 3883 97 i LYC C66 9 C4H2b 0.770 1.880 2.783 10.980 1.880 5.840 [OK] 3884 97 i LYC C67 9 C4H2b 0.770 1.880 3.207 40.112 1.880 21.336 possible 3885 97 i LYC C68 9 C4H2b 0.770 1.880 3.179 45.920 1.880 24.425 possible 3942 75 i DET N 14 N4H3u 0.700 1.640 2.107 4.672 1.640 2.849 [OK] 3943 75 i DET O 17 O2H1u 0.660 1.460 2.429 18.693 1.460 12.804 [OK] 3944 75 i DET CM1 9 C4H2b 0.770 1.880 15.820 -1.000 1.880 -1.000 bad 3945 75 i DET CM2 9 C4H2b 0.770 1.880 20.617 -1.000 1.880 -1.000 bad 3946 75 i DET C1 9 C4H2b 0.770 1.880 8.276 -1.000 1.880 -1.000 bad 3947 75 i DET C2 9 C4H2b 0.770 1.880 6.089 -1.000 1.880 -1.000 bad 3948 75 i DET C3 9 C4H2b 0.770 1.880 12.402 -1.000 1.880 -1.000 bad 3949 75 i DET C4 9 C4H2b 0.770 1.880 8.519 -1.000 1.880 -1.000 bad 3950 75 i DET C5 9 C4H2b 0.770 1.880 23.276 -1.000 1.880 -1.000 bad 3951 75 i DET C6 9 C4H2b 0.770 1.880 3.202 27.954 1.880 14.869 possible 3952 75 i DET C7 9 C4H2b 0.770 1.880 18.284 -1.000 1.880 -1.000 bad 3953 75 i DET C8 9 C4H2b 0.770 1.880 3.596 26.505 1.880 14.098 possible 3954 75 i DET C9 9 C4H2b 0.770 1.880 8.300 -1.000 1.880 -1.000 bad 3955 75 i DET C10 9 C4H2b 0.770 1.880 6.639 -1.000 1.880 -1.000 bad 3956 75 i DET C11 9 C4H2b 0.770 1.880 25.462 -1.000 1.880 -1.000 bad 3957 77 i DET N 14 N4H3u 0.700 1.640 2.183 4.846 1.640 2.955 [OK] 3958 77 i DET O 17 O2H1u 0.660 1.460 16.184 -1.000 1.460 -1.000 bad 3959 77 i DET CM1 9 C4H2b 0.770 1.880 5.826 94.274 1.880 50.146 possible 3960 77 i DET CM2 9 C4H2b 0.770 1.880 54.181 -1.000 1.880 -1.000 bad 3961 77 i DET C1 9 C4H2b 0.770 1.880 4.956 34.253 1.880 18.219 possible 3962 77 i DET C2 9 C4H2b 0.770 1.880 4.879 32.442 1.880 17.256 possible 3963 77 i DET C3 9 C4H2b 0.770 1.880 4.235 30.246 1.880 16.089 possible 3964 77 i DET C4 9 C4H2b 0.770 1.880 15.174 -1.000 1.880 -1.000 bad 3965 77 i DET C5 9 C4H2b 0.770 1.880 3.205 23.394 1.880 12.444 possible 3966 77 i DET C6 9 C4H2b 0.770 1.880 12.464 -1.000 1.880 -1.000 bad 3967 77 i DET C7 9 C4H2b 0.770 1.880 2.928 21.337 1.880 11.350 [OK] 3968 77 i DET C8 9 C4H2b 0.770 1.880 4.194 29.029 1.880 15.441 possible 3969 77 i DET C9 9 C4H2b 0.770 1.880 12.858 -1.000 1.880 -1.000 bad 3970 77 i DET C10 9 C4H2b 0.770 1.880 6.251 45.247 1.880 24.067 possible 3971 77 i DET C11 9 C4H2b 0.770 1.880 32.785 -1.000 1.880 -1.000 bad 3972 78 i DET N 14 N4H3u 0.700 1.640 2.166 4.790 1.640 2.920 [OK] 3973 78 i DET O 17 O2H1u 0.660 1.460 15.998 -1.000 1.460 -1.000 bad 3974 78 i DET CM1 9 C4H2b 0.770 1.880 2.782 26.121 1.880 13.894 [OK] 3975 78 i DET CM2 9 C4H2b 0.770 1.880 7.427 54.455 1.880 28.965 possible 3976 78 i DET C1 9 C4H2b 0.770 1.880 18.538 -1.000 1.880 -1.000 bad 3977 78 i DET C2 9 C4H2b 0.770 1.880 2.771 17.571 1.880 9.346 [OK] 3978 78 i DET C3 9 C4H2b 0.770 1.880 22.042 -1.000 1.880 -1.000 bad 3979 78 i DET C4 9 C4H2b 0.770 1.880 23.608 -1.000 1.880 -1.000 bad 3980 78 i DET C5 9 C4H2b 0.770 1.880 3.490 22.924 1.880 12.194 possible 3981 78 i DET C6 9 C4H2b 0.770 1.880 5.670 42.457 1.880 22.583 possible 3982 78 i DET C7 9 C4H2b 0.770 1.880 3.192 24.102 1.880 12.820 possible 3983 78 i DET C8 9 C4H2b 0.770 1.880 3.856 30.309 1.880 16.122 possible 3984 78 i DET C9 9 C4H2b 0.770 1.880 3.230 29.740 1.880 15.819 possible 3985 78 i DET C10 9 C4H2b 0.770 1.880 3.072 31.360 1.880 16.681 possible 3986 78 i DET C11 9 C4H2b 0.770 1.880 3.133 34.685 1.880 18.450 possible 3987 61 i HTO C1 9 C4H2b 0.770 1.880 3.146 24.127 1.880 12.833 possible 3988 61 i HTO O1 17 O2H1u 0.660 1.460 2.676 22.850 1.460 15.651 [OK] 3989 61 i HTO C2 9 C4H2b 0.770 1.880 3.457 15.808 1.880 8.408 possible 3990 61 i HTO O2 17 O2H1u 0.660 1.460 6.836 46.559 1.460 31.890 possible 3991 61 i HTO C3 9 C4H2b 0.770 1.880 2.852 15.599 1.880 8.297 [OK] 3992 61 i HTO O3 17 O2H1u 0.660 1.460 13.916 -1.000 1.460 -1.000 bad 3993 61 i HTO C4 9 C4H2b 0.770 1.880 2.748 18.057 1.880 9.605 [OK] 3994 61 i HTO C5 9 C4H2b 0.770 1.880 2.971 23.078 1.880 12.275 [OK] 3995 61 i HTO C6 9 C4H2b 0.770 1.880 3.306 32.101 1.880 17.075 possible 3996 61 i HTO C7 9 C4H2b 0.770 1.880 3.246 39.769 1.880 21.154 possible 3997 62 i HTO C1 9 C4H2b 0.770 1.880 12.025 -1.000 1.880 -1.000 bad 3998 62 i HTO O1 17 O2H1u 0.660 1.460 21.222 -1.000 1.460 -1.000 bad 3999 62 i HTO C2 9 C4H2b 0.770 1.880 15.274 -1.000 1.880 -1.000 bad 4000 62 i HTO O2 17 O2H1u 0.660 1.460 7.301 51.269 1.460 35.116 possible 4001 62 i HTO C3 9 C4H2b 0.770 1.880 7.804 20.900 1.880 11.117 possible 4002 62 i HTO O3 17 O2H1u 0.660 1.460 2.532 20.772 1.460 14.227 [OK] 4003 62 i HTO C4 9 C4H2b 0.770 1.880 15.462 -1.000 1.880 -1.000 bad 4004 62 i HTO C5 9 C4H2b 0.770 1.880 14.589 -1.000 1.880 -1.000 bad 4005 62 i HTO C6 9 C4H2b 0.770 1.880 24.185 -1.000 1.880 -1.000 bad 4006 62 i HTO C7 9 C4H2b 0.770 1.880 35.023 -1.000 1.880 -1.000 bad 4007 63 i HTO C1 9 C4H2b 0.770 1.880 3.584 24.568 1.880 13.068 possible 4008 63 i HTO O1 17 O2H1u 0.660 1.460 2.546 18.428 1.460 12.622 [OK] 4009 63 i HTO C2 9 C4H2b 0.770 1.880 3.415 14.876 1.880 7.913 possible 4010 63 i HTO O2 17 O2H1u 0.660 1.460 26.260 -1.000 1.460 -1.000 bad 4011 63 i HTO C3 9 C4H2b 0.770 1.880 2.782 14.515 1.880 7.721 [OK] 4012 63 i HTO O3 17 O2H1u 0.660 1.460 6.303 48.501 1.460 33.220 possible 4013 63 i HTO C4 9 C4H2b 0.770 1.880 3.049 20.988 1.880 11.164 possible 4014 63 i HTO C5 9 C4H2b 0.770 1.880 13.681 -1.000 1.880 -1.000 bad 4015 63 i HTO C6 9 C4H2b 0.770 1.880 30.099 -1.000 1.880 -1.000 bad 4016 63 i HTO C7 9 C4H2b 0.770 1.880 39.092 -1.000 1.880 -1.000 bad 4017 64 i HTO C1 9 C4H2b 0.770 1.880 15.403 -1.000 1.880 -1.000 bad 4018 64 i HTO O1 17 O2H1u 0.660 1.460 13.873 -1.000 1.460 -1.000 bad 4019 64 i HTO C2 9 C4H2b 0.770 1.880 3.004 14.015 1.880 7.455 possible 4020 64 i HTO O2 17 O2H1u 0.660 1.460 2.628 18.327 1.460 12.553 [OK] 4021 64 i HTO C3 9 C4H2b 0.770 1.880 2.870 12.256 1.880 6.519 [OK] 4022 64 i HTO O3 17 O2H1u 0.660 1.460 2.509 12.383 1.460 8.482 [OK] 4023 64 i HTO C4 9 C4H2b 0.770 1.880 17.634 -1.000 1.880 -1.000 bad 4024 64 i HTO C5 9 C4H2b 0.770 1.880 10.166 -1.000 1.880 -1.000 bad 4025 64 i HTO C6 9 C4H2b 0.770 1.880 5.510 36.184 1.880 19.247 possible 4026 64 i HTO C7 9 C4H2b 0.770 1.880 52.417 -1.000 1.880 -1.000 bad 4027 65 i HTO C1 9 C4H2b 0.770 1.880 4.224 29.443 1.880 15.661 possible 4028 65 i HTO O1 17 O2H1u 0.660 1.460 6.678 81.504 1.460 55.825 possible 4029 65 i HTO C2 9 C4H2b 0.770 1.880 6.328 26.696 1.880 14.200 possible 4030 65 i HTO O2 17 O2H1u 0.660 1.460 25.380 -1.000 1.460 -1.000 bad 4031 65 i HTO C3 9 C4H2b 0.770 1.880 7.486 25.543 1.880 13.587 possible 4032 65 i HTO O3 17 O2H1u 0.660 1.460 3.447 24.533 1.460 16.803 possible 4033 65 i HTO C4 9 C4H2b 0.770 1.880 3.786 23.495 1.880 12.497 possible 4034 65 i HTO C5 9 C4H2b 0.770 1.880 3.120 24.614 1.880 13.093 possible 4035 65 i HTO C6 9 C4H2b 0.770 1.880 23.170 -1.000 1.880 -1.000 bad 4036 65 i HTO C7 9 C4H2b 0.770 1.880 21.011 -1.000 1.880 -1.000 bad 4037 66 i HTO C1 9 C4H2b 0.770 1.880 16.897 -1.000 1.880 -1.000 bad 4038 66 i HTO O1 17 O2H1u 0.660 1.460 18.947 -1.000 1.460 -1.000 bad 4039 66 i HTO C2 9 C4H2b 0.770 1.880 5.023 22.817 1.880 12.137 possible 4040 66 i HTO O2 17 O2H1u 0.660 1.460 2.567 18.973 1.460 12.995 [OK] 4041 66 i HTO C3 9 C4H2b 0.770 1.880 3.327 14.188 1.880 7.547 possible 4042 66 i HTO O3 17 O2H1u 0.660 1.460 29.775 -1.000 1.460 -1.000 bad 4043 66 i HTO C4 9 C4H2b 0.770 1.880 3.417 22.174 1.880 11.795 possible 4044 66 i HTO C5 9 C4H2b 0.770 1.880 25.715 -1.000 1.880 -1.000 bad 4045 66 i HTO C6 9 C4H2b 0.770 1.880 25.531 -1.000 1.880 -1.000 bad 4046 66 i HTO C7 9 C4H2b 0.770 1.880 12.506 -1.000 1.880 -1.000 bad 4047 1 i HOH O 18 O2H2u 0.660 1.460 50.438 -1.000 1.460 -1.000 bad 4048 6 i HOH O 18 O2H2u 0.660 1.460 3.653 29.687 1.460 20.333 possible 4051 11 i HOH O 18 O2H2u 0.660 1.460 2.746 28.481 1.460 19.508 [OK] 4054 12 i HOH O 18 O2H2u 0.660 1.460 6.973 61.615 1.460 42.202 possible 4057 23 i HOH O 18 O2H2u 0.660 1.460 3.875 40.355 1.460 27.640 possible 4060 36 i HOH O 18 O2H2u 0.660 1.460 26.469 -1.000 1.460 -1.000 bad 4063 44 i HOH O 18 O2H2u 0.660 1.460 45.798 -1.000 1.460 -1.000 bad 4066 102 i HOH O 18 O2H2u 0.660 1.460 4.527 39.861 1.460 27.302 possible 4069 104 i HOH O 18 O2H2u 0.660 1.460 26.545 -1.000 1.460 -1.000 bad 4072 105 i HOH O 18 O2H2u 0.660 1.460 36.635 -1.000 1.460 -1.000 bad 4075 112 i HOH O 18 O2H2u 0.660 1.460 7.895 74.855 1.460 51.271 possible 4078 118 i HOH O 18 O2H2u 0.660 1.460 25.664 -1.000 1.460 -1.000 bad 4081 119 i HOH O 18 O2H2u 0.660 1.460 41.544 -1.000 1.460 -1.000 bad 4084 120 i HOH O 18 O2H2u 0.660 1.460 33.636 -1.000 1.460 -1.000 bad 4087 121 i HOH O 18 O2H2u 0.660 1.460 56.747 -1.000 1.460 -1.000 bad 4090 122 i HOH O 18 O2H2u 0.660 1.460 45.964 -1.000 1.460 -1.000 bad 4093 1 J SER N 12 N3H1s 0.700 1.640 23.794 -1.000 13.808 -1.000 bad 4094 1 J SER CA 3 C4H1s 0.770 1.880 13.913 -1.000 13.351 -1.000 bad 4095 1 J SER C 1 C3H0s 0.770 1.610 3.191 10.150 8.858 1.146 possible 4096 1 J SER O 16 O1H0u 0.660 1.420 3.044 13.686 15.860 0.863 possible 4097 1 J SER CB 8 C4H2s 0.770 1.880 22.597 -1.000 23.599 -1.000 bad 4098 1 J SER OG 17 O2H1u 0.660 1.460 30.555 -1.000 18.021 -1.000 bad 4103 2 J ASN N 12 N3H1s 0.700 1.640 6.073 21.855 13.525 1.616 possible 4104 2 J ASN CA 3 C4H1s 0.770 1.880 2.805 12.405 13.052 0.950 [OK] 4105 2 J ASN C 1 C3H0s 0.770 1.610 2.625 9.448 8.853 1.067 [OK] 4106 2 J ASN O 16 O1H0u 0.660 1.420 27.486 -1.000 15.857 -1.000 bad 4107 2 J ASN CB 8 C4H2s 0.770 1.880 3.798 22.087 22.756 0.971 possible 4108 2 J ASN CG 2 C3H0b 0.770 1.610 2.668 8.862 9.537 0.929 [OK] 4109 2 J ASN OD1 16 O1H0u 0.660 1.420 21.171 -1.000 16.247 -1.000 bad 4110 2 J ASN ND2 15 N3H2u 0.700 1.640 6.741 42.567 22.525 1.890 possible 4114 3 J PRO N 11 N3H0u 0.700 1.640 3.029 8.801 8.650 1.018 possible 4115 3 J PRO CA 4 C4H1b 0.770 1.880 2.522 11.364 13.828 0.822 [OK] 4116 3 J PRO C 1 C3H0s 0.770 1.610 3.625 9.765 8.768 1.114 possible 4117 3 J PRO O 16 O1H0u 0.660 1.420 4.063 24.038 15.856 1.516 possible 4118 3 J PRO CB 9 C4H2b 0.770 1.880 4.049 26.201 25.314 1.035 possible 4119 3 J PRO CG 9 C4H2b 0.770 1.880 28.303 -1.000 25.480 -1.000 bad 4120 3 J PRO CD 8 C4H2s 0.770 1.880 27.116 -1.000 23.390 -1.000 bad 4121 4 J LYS N 12 N3H1s 0.700 1.640 4.311 19.861 13.429 1.479 possible 4122 4 J LYS CA 3 C4H1s 0.770 1.880 9.377 -1.000 13.217 -1.000 bad 4123 4 J LYS C 1 C3H0s 0.770 1.610 2.351 7.731 8.696 0.889 [OK] 4124 4 J LYS O 16 O1H0u 0.660 1.420 2.996 22.321 15.818 1.411 [OK] 4125 4 J LYS CB 8 C4H2s 0.770 1.880 14.711 -1.000 22.578 -1.000 bad 4126 4 J LYS CG 8 C4H2s 0.770 1.880 17.016 -1.000 22.847 -1.000 bad 4127 4 J LYS CD 8 C4H2s 0.770 1.880 35.438 -1.000 23.365 -1.000 bad 4128 4 J LYS CE 9 C4H2b 0.770 1.880 4.352 21.338 23.720 0.900 possible 4129 4 J LYS NZ 14 N4H3u 0.700 1.640 44.025 -1.000 21.413 -1.000 bad 4134 5 J ASP N 12 N3H1s 0.700 1.640 2.639 12.437 13.654 0.911 [OK] 4135 5 J ASP CA 3 C4H1s 0.770 1.880 2.677 13.544 13.254 1.022 [OK] 4136 5 J ASP C 1 C3H0s 0.770 1.610 2.589 10.294 8.750 1.176 [OK] 4137 5 J ASP O 16 O1H0u 0.660 1.420 4.764 25.859 15.757 1.641 possible 4138 5 J ASP CB 8 C4H2s 0.770 1.880 5.803 36.860 23.022 1.601 possible 4139 5 J ASP CG 2 C3H0b 0.770 1.610 2.775 9.277 9.336 0.994 [OK] 4140 5 J ASP OD1 16 O1H0u 0.660 1.420 5.117 31.938 15.078 2.118 possible 4141 5 J ASP OD2 16 O1H0u 0.660 1.420 14.548 -1.000 15.582 -1.000 bad 4143 6 J ASP N 12 N3H1s 0.700 1.640 2.838 14.178 13.654 1.038 [OK] 4144 6 J ASP CA 3 C4H1s 0.770 1.880 2.661 13.119 13.254 0.990 [OK] 4145 6 J ASP C 1 C3H0s 0.770 1.610 2.084 8.138 8.750 0.930 [OK] 4146 6 J ASP O 16 O1H0u 0.660 1.420 2.674 17.403 15.757 1.104 [OK] 4147 6 J ASP CB 8 C4H2s 0.770 1.880 3.149 21.425 23.022 0.931 possible 4148 6 J ASP CG 2 C3H0b 0.770 1.610 2.260 8.527 9.336 0.913 [OK] 4149 6 J ASP OD1 16 O1H0u 0.660 1.420 2.375 13.792 15.078 0.915 [OK] 4150 6 J ASP OD2 16 O1H0u 0.660 1.420 2.141 12.205 15.582 0.783 [OK] 4152 7 J TYR N 12 N3H1s 0.700 1.640 3.002 16.056 13.473 1.192 possible 4153 7 J TYR CA 3 C4H1s 0.770 1.880 2.659 12.910 13.249 0.974 [OK] 4154 7 J TYR C 1 C3H0s 0.770 1.610 2.362 7.620 8.714 0.875 [OK] 4155 7 J TYR O 16 O1H0u 0.660 1.420 2.346 15.959 15.901 1.004 [OK] 4156 7 J TYR CB 8 C4H2s 0.770 1.880 2.742 23.317 23.426 0.995 [OK] 4157 7 J TYR CG 2 C3H0b 0.770 1.610 2.386 8.812 9.695 0.909 [OK] 4158 7 J TYR CD1 5 C3H1s 0.770 1.760 2.763 18.214 20.057 0.908 [OK] 4159 7 J TYR CD2 5 C3H1s 0.770 1.760 2.619 16.873 20.578 0.820 [OK] 4160 7 J TYR CE1 5 C3H1s 0.770 1.760 3.654 24.922 20.534 1.214 possible 4161 7 J TYR CE2 5 C3H1s 0.770 1.760 2.722 19.991 20.577 0.972 [OK] 4162 7 J TYR CZ 2 C3H0b 0.770 1.610 2.569 9.691 9.888 0.980 [OK] 4163 7 J TYR OH 17 O2H1u 0.660 1.460 6.063 35.376 18.541 1.908 possible 4166 8 J LYS N 12 N3H1s 0.700 1.640 2.493 12.767 13.429 0.951 [OK] 4167 8 J LYS CA 3 C4H1s 0.770 1.880 2.734 13.011 13.217 0.984 [OK] 4168 8 J LYS C 1 C3H0s 0.770 1.610 4.017 9.329 8.696 1.073 possible 4169 8 J LYS O 16 O1H0u 0.660 1.420 3.890 20.343 15.818 1.286 possible 4170 8 J LYS CB 8 C4H2s 0.770 1.880 6.165 44.927 22.578 1.990 possible 4171 8 J LYS CG 8 C4H2s 0.770 1.880 2.925 22.039 22.847 0.965 [OK] 4172 8 J LYS CD 8 C4H2s 0.770 1.880 23.649 -1.000 23.365 -1.000 bad 4173 8 J LYS CE 9 C4H2b 0.770 1.880 33.465 -1.000 23.720 -1.000 bad 4174 8 J LYS NZ 14 N4H3u 0.700 1.640 12.924 -1.000 21.413 -1.000 bad 4179 9 J ILE N 12 N3H1s 0.700 1.640 4.169 16.776 13.493 1.243 possible 4180 9 J ILE CA 3 C4H1s 0.770 1.880 4.425 15.727 12.946 1.215 possible 4181 9 J ILE C 1 C3H0s 0.770 1.610 2.501 8.046 8.445 0.953 [OK] 4182 9 J ILE O 16 O1H0u 0.660 1.420 2.344 14.434 15.930 0.906 [OK] 4183 9 J ILE CB 4 C4H1b 0.770 1.880 2.966 14.852 14.146 1.050 [OK] 4184 9 J ILE CG1 9 C4H2b 0.770 1.880 3.877 27.799 24.071 1.155 possible 4185 9 J ILE CG2 10 C4H3u 0.770 1.880 3.052 34.418 35.763 0.962 possible 4186 9 J ILE CD1 10 C4H3u 0.770 1.880 29.532 -1.000 38.219 -1.000 bad 4188 10 J TRP N 12 N3H1s 0.700 1.640 2.410 11.760 13.639 0.862 [OK] 4189 10 J TRP CA 3 C4H1s 0.770 1.880 2.563 12.195 13.323 0.915 [OK] 4190 10 J TRP C 1 C3H0s 0.770 1.610 2.377 9.507 8.687 1.094 [OK] 4191 10 J TRP O 16 O1H0u 0.660 1.420 2.372 16.112 15.797 1.020 [OK] 4192 10 J TRP CB 8 C4H2s 0.770 1.880 2.946 25.328 23.826 1.063 [OK] 4193 10 J TRP CG 2 C3H0b 0.770 1.610 2.613 9.652 9.915 0.974 [OK] 4194 10 J TRP CD1 5 C3H1s 0.770 1.760 2.640 19.351 20.597 0.939 [OK] 4195 10 J TRP CD2 2 C3H0b 0.770 1.610 2.498 9.739 10.068 0.967 [OK] 4196 10 J TRP NE1 13 N3H1b 0.700 1.640 2.627 15.823 16.723 0.946 [OK] 4197 10 J TRP CE2 2 C3H0b 0.770 1.610 2.602 9.441 9.848 0.959 [OK] 4198 10 J TRP CE3 6 C3H1b 0.770 1.760 2.645 18.857 20.383 0.925 [OK] 4199 10 J TRP CZ2 6 C3H1b 0.770 1.760 3.009 21.627 20.931 1.033 possible 4200 10 J TRP CZ3 6 C3H1b 0.770 1.760 3.184 27.258 21.429 1.272 possible 4201 10 J TRP CH2 6 C3H1b 0.770 1.760 3.286 30.615 21.219 1.443 possible 4204 11 J LEU N 12 N3H1s 0.700 1.640 2.565 12.080 13.517 0.894 [OK] 4205 11 J LEU CA 3 C4H1s 0.770 1.880 2.667 12.434 13.055 0.952 [OK] 4206 11 J LEU C 1 C3H0s 0.770 1.610 3.013 8.976 8.781 1.022 possible 4207 11 J LEU O 16 O1H0u 0.660 1.420 3.653 17.392 15.957 1.090 possible 4208 11 J LEU CB 8 C4H2s 0.770 1.880 5.727 40.853 22.818 1.790 possible 4209 11 J LEU CG 4 C4H1b 0.770 1.880 2.801 14.208 14.704 0.966 [OK] 4210 11 J LEU CD1 10 C4H3u 0.770 1.880 16.925 -1.000 37.235 -1.000 bad 4211 11 J LEU CD2 10 C4H3u 0.770 1.880 4.218 39.935 37.020 1.079 possible 4213 12 J VAL N 12 N3H1s 0.700 1.640 2.442 12.224 13.553 0.902 [OK] 4214 12 J VAL CA 3 C4H1s 0.770 1.880 2.854 12.621 13.078 0.965 [OK] 4215 12 J VAL C 1 C3H0s 0.770 1.610 2.149 8.027 8.528 0.941 [OK] 4216 12 J VAL O 16 O1H0u 0.660 1.420 6.400 40.820 15.998 2.552 possible 4217 12 J VAL CB 4 C4H1b 0.770 1.880 3.130 14.617 14.514 1.007 possible 4218 12 J VAL CG1 10 C4H3u 0.770 1.880 35.237 -1.000 36.320 -1.000 bad 4219 12 J VAL CG2 10 C4H3u 0.770 1.880 31.580 -1.000 36.173 -1.000 bad 4221 13 J ILE N 12 N3H1s 0.700 1.640 2.541 12.810 13.493 0.949 [OK] 4222 13 J ILE CA 3 C4H1s 0.770 1.880 2.796 12.249 12.946 0.946 [OK] 4223 13 J ILE C 1 C3H0s 0.770 1.610 2.695 8.666 8.445 1.026 [OK] 4224 13 J ILE O 16 O1H0u 0.660 1.420 2.602 15.333 15.930 0.963 [OK] 4225 13 J ILE CB 4 C4H1b 0.770 1.880 2.925 15.135 14.146 1.070 [OK] 4226 13 J ILE CG1 9 C4H2b 0.770 1.880 3.136 23.470 24.071 0.975 possible 4227 13 J ILE CG2 10 C4H3u 0.770 1.880 30.722 -1.000 35.763 -1.000 bad 4228 13 J ILE CD1 10 C4H3u 0.770 1.880 6.944 88.294 38.219 2.310 possible 4230 14 J ASN N 12 N3H1s 0.700 1.640 2.668 13.901 13.525 1.028 [OK] 4231 14 J ASN CA 3 C4H1s 0.770 1.880 2.747 11.775 13.052 0.902 [OK] 4232 14 J ASN C 1 C3H0s 0.770 1.610 2.850 8.931 8.853 1.009 [OK] 4233 14 J ASN O 16 O1H0u 0.660 1.420 2.502 15.339 15.857 0.967 [OK] 4234 14 J ASN CB 8 C4H2s 0.770 1.880 4.881 32.051 22.756 1.408 possible 4235 14 J ASN CG 2 C3H0b 0.770 1.610 2.742 10.383 9.537 1.089 [OK] 4236 14 J ASN OD1 16 O1H0u 0.660 1.420 15.787 -1.000 16.247 -1.000 bad 4237 14 J ASN ND2 15 N3H2u 0.700 1.640 2.655 20.082 22.525 0.892 [OK] 4241 15 J PRO N 11 N3H0u 0.700 1.640 2.850 8.432 8.650 0.975 [OK] 4242 15 J PRO CA 4 C4H1b 0.770 1.880 3.036 16.553 13.828 1.197 possible 4243 15 J PRO C 1 C3H0s 0.770 1.610 2.273 8.460 8.768 0.965 [OK] 4244 15 J PRO O 16 O1H0u 0.660 1.420 2.394 16.130 15.856 1.017 [OK] 4245 15 J PRO CB 9 C4H2b 0.770 1.880 3.184 27.864 25.314 1.101 possible 4246 15 J PRO CG 9 C4H2b 0.770 1.880 2.956 27.032 25.480 1.061 [OK] 4247 15 J PRO CD 8 C4H2s 0.770 1.880 2.783 21.967 23.390 0.939 [OK] 4248 16 J SER N 12 N3H1s 0.700 1.640 2.515 12.187 13.808 0.883 [OK] 4249 16 J SER CA 3 C4H1s 0.770 1.880 2.594 13.823 13.351 1.035 [OK] 4250 16 J SER C 1 C3H0s 0.770 1.610 2.897 9.297 8.858 1.050 [OK] 4251 16 J SER O 16 O1H0u 0.660 1.420 2.636 20.040 15.860 1.264 [OK] 4252 16 J SER CB 8 C4H2s 0.770 1.880 4.860 39.770 23.599 1.685 possible 4253 16 J SER OG 17 O2H1u 0.660 1.460 2.570 20.654 18.021 1.146 [OK] 4256 17 J THR N 12 N3H1s 0.700 1.640 2.604 13.414 13.544 0.990 [OK] 4257 17 J THR CA 3 C4H1s 0.770 1.880 2.705 13.567 13.025 1.042 [OK] 4258 17 J THR C 1 C3H0s 0.770 1.610 2.434 8.306 8.685 0.956 [OK] 4259 17 J THR O 16 O1H0u 0.660 1.420 2.493 18.829 15.795 1.192 [OK] 4260 17 J THR CB 4 C4H1b 0.770 1.880 3.159 14.110 14.687 0.961 possible 4261 17 J THR OG1 17 O2H1u 0.660 1.460 6.440 48.206 17.610 2.737 possible 4262 17 J THR CG2 10 C4H3u 0.770 1.880 3.041 33.892 36.265 0.935 possible 4265 18 J TRP N 12 N3H1s 0.700 1.640 2.362 12.948 13.639 0.949 [OK] 4266 18 J TRP CA 3 C4H1s 0.770 1.880 2.612 12.610 13.323 0.946 [OK] 4267 18 J TRP C 1 C3H0s 0.770 1.610 3.064 9.760 8.687 1.124 possible 4268 18 J TRP O 16 O1H0u 0.660 1.420 2.635 14.770 15.797 0.935 [OK] 4269 18 J TRP CB 8 C4H2s 0.770 1.880 3.932 33.241 23.826 1.395 possible 4270 18 J TRP CG 2 C3H0b 0.770 1.610 3.460 11.179 9.915 1.127 possible 4271 18 J TRP CD1 5 C3H1s 0.770 1.760 3.155 21.266 20.597 1.032 possible 4272 18 J TRP CD2 2 C3H0b 0.770 1.610 4.696 14.634 10.068 1.454 possible 4273 18 J TRP NE1 13 N3H1b 0.700 1.640 5.437 31.454 16.723 1.881 possible 4274 18 J TRP CE2 2 C3H0b 0.770 1.610 4.691 14.147 9.848 1.437 possible 4275 18 J TRP CE3 6 C3H1b 0.770 1.760 5.617 36.280 20.383 1.780 possible 4276 18 J TRP CZ2 6 C3H1b 0.770 1.760 14.374 -1.000 20.931 -1.000 bad 4277 18 J TRP CZ3 6 C3H1b 0.770 1.760 6.399 48.387 21.429 2.258 possible 4278 18 J TRP CH2 6 C3H1b 0.770 1.760 18.440 -1.000 21.219 -1.000 bad 4281 19 J LEU N 12 N3H1s 0.700 1.640 3.084 15.385 13.517 1.138 possible 4282 19 J LEU CA 3 C4H1s 0.770 1.880 3.308 13.712 13.055 1.050 possible 4283 19 J LEU C 1 C3H0s 0.770 1.610 2.654 8.444 8.781 0.962 [OK] 4284 19 J LEU O 16 O1H0u 0.660 1.420 2.359 15.325 15.957 0.960 [OK] 4285 19 J LEU CB 8 C4H2s 0.770 1.880 3.161 21.979 22.818 0.963 possible 4286 19 J LEU CG 4 C4H1b 0.770 1.880 3.141 14.980 14.704 1.019 possible 4287 19 J LEU CD1 10 C4H3u 0.770 1.880 3.215 39.269 37.235 1.055 possible 4288 19 J LEU CD2 10 C4H3u 0.770 1.880 3.173 43.865 37.020 1.185 possible 4290 20 J PRO N 11 N3H0u 0.700 1.640 2.930 8.889 8.650 1.028 [OK] 4291 20 J PRO CA 4 C4H1b 0.770 1.880 3.399 15.179 13.828 1.098 possible 4292 20 J PRO C 1 C3H0s 0.770 1.610 2.608 9.007 8.768 1.027 [OK] 4293 20 J PRO O 16 O1H0u 0.660 1.420 3.141 17.074 15.856 1.077 possible 4294 20 J PRO CB 9 C4H2b 0.770 1.880 3.690 31.763 25.314 1.255 possible 4295 20 J PRO CG 9 C4H2b 0.770 1.880 3.138 24.799 25.480 0.973 possible 4296 20 J PRO CD 8 C4H2s 0.770 1.880 2.860 23.712 23.390 1.014 [OK] 4297 21 J VAL N 12 N3H1s 0.700 1.640 2.690 14.473 13.553 1.068 [OK] 4298 21 J VAL CA 3 C4H1s 0.770 1.880 2.810 13.483 13.078 1.031 [OK] 4299 21 J VAL C 1 C3H0s 0.770 1.610 2.668 7.891 8.528 0.925 [OK] 4300 21 J VAL O 16 O1H0u 0.660 1.420 2.772 14.974 15.998 0.936 [OK] 4301 21 J VAL CB 4 C4H1b 0.770 1.880 3.014 13.832 14.514 0.953 possible 4302 21 J VAL CG1 10 C4H3u 0.770 1.880 4.588 51.850 36.320 1.428 possible 4303 21 J VAL CG2 10 C4H3u 0.770 1.880 3.120 39.141 36.173 1.082 possible 4305 22 J ILE N 12 N3H1s 0.700 1.640 2.970 13.385 13.493 0.992 [OK] 4306 22 J ILE CA 3 C4H1s 0.770 1.880 3.476 16.672 12.946 1.288 possible 4307 22 J ILE C 1 C3H0s 0.770 1.610 2.182 7.795 8.445 0.923 [OK] 4308 22 J ILE O 16 O1H0u 0.660 1.420 2.834 19.422 15.930 1.219 [OK] 4309 22 J ILE CB 4 C4H1b 0.770 1.880 3.004 14.728 14.146 1.041 possible 4310 22 J ILE CG1 9 C4H2b 0.770 1.880 3.281 24.662 24.071 1.025 possible 4311 22 J ILE CG2 10 C4H3u 0.770 1.880 4.696 59.395 35.763 1.661 possible 4312 22 J ILE CD1 10 C4H3u 0.770 1.880 2.994 35.040 38.219 0.917 [OK] 4314 23 J TRP N 12 N3H1s 0.700 1.640 2.214 12.315 13.639 0.903 [OK] 4315 23 J TRP CA 3 C4H1s 0.770 1.880 2.966 13.861 13.323 1.040 [OK] 4316 23 J TRP C 1 C3H0s 0.770 1.610 2.204 8.457 8.687 0.973 [OK] 4317 23 J TRP O 16 O1H0u 0.660 1.420 2.295 15.530 15.797 0.983 [OK] 4318 23 J TRP CB 8 C4H2s 0.770 1.880 3.047 22.567 23.826 0.947 possible 4319 23 J TRP CG 2 C3H0b 0.770 1.610 2.520 10.026 9.915 1.011 [OK] 4320 23 J TRP CD1 5 C3H1s 0.770 1.760 2.861 20.220 20.597 0.982 [OK] 4321 23 J TRP CD2 2 C3H0b 0.770 1.610 2.639 11.110 10.068 1.103 [OK] 4322 23 J TRP NE1 13 N3H1b 0.700 1.640 2.655 16.717 16.723 1.000 [OK] 4323 23 J TRP CE2 2 C3H0b 0.770 1.610 2.615 10.470 9.848 1.063 [OK] 4324 23 J TRP CE3 6 C3H1b 0.770 1.760 3.417 25.023 20.383 1.228 possible 4325 23 J TRP CZ2 6 C3H1b 0.770 1.760 2.886 20.090 20.931 0.960 [OK] 4326 23 J TRP CZ3 6 C3H1b 0.770 1.760 3.294 27.505 21.429 1.284 possible 4327 23 J TRP CH2 6 C3H1b 0.770 1.760 2.987 23.574 21.219 1.111 [OK] 4330 24 J ILE N 12 N3H1s 0.700 1.640 2.462 12.486 13.493 0.925 [OK] 4331 24 J ILE CA 3 C4H1s 0.770 1.880 3.151 14.969 12.946 1.156 possible 4332 24 J ILE C 1 C3H0s 0.770 1.610 2.649 7.780 8.445 0.921 [OK] 4333 24 J ILE O 16 O1H0u 0.660 1.420 3.023 15.989 15.930 1.004 possible 4334 24 J ILE CB 4 C4H1b 0.770 1.880 2.747 13.629 14.146 0.963 [OK] 4335 24 J ILE CG1 9 C4H2b 0.770 1.880 3.690 25.012 24.071 1.039 possible 4336 24 J ILE CG2 10 C4H3u 0.770 1.880 5.146 51.531 35.763 1.441 possible 4337 24 J ILE CD1 10 C4H3u 0.770 1.880 4.225 44.398 38.219 1.162 possible 4339 25 J VAL N 12 N3H1s 0.700 1.640 2.710 13.789 13.553 1.017 [OK] 4340 25 J VAL CA 3 C4H1s 0.770 1.880 3.435 15.560 13.078 1.190 possible 4341 25 J VAL C 1 C3H0s 0.770 1.610 2.597 7.686 8.528 0.901 [OK] 4342 25 J VAL O 16 O1H0u 0.660 1.420 3.197 16.829 15.998 1.052 possible 4343 25 J VAL CB 4 C4H1b 0.770 1.880 3.120 15.740 14.514 1.084 possible 4344 25 J VAL CG1 10 C4H3u 0.770 1.880 18.965 -1.000 36.320 -1.000 bad 4345 25 J VAL CG2 10 C4H3u 0.770 1.880 5.187 58.127 36.173 1.607 possible 4347 26 J ALA N 12 N3H1s 0.700 1.640 3.074 15.333 13.872 1.105 possible 4348 26 J ALA CA 4 C4H1b 0.770 1.880 3.162 16.859 13.959 1.208 possible 4349 26 J ALA C 1 C3H0s 0.770 1.610 2.101 8.245 8.858 0.931 [OK] 4350 26 J ALA O 16 O1H0u 0.660 1.420 2.355 15.076 16.026 0.941 [OK] 4351 26 J ALA CB 10 C4H3u 0.770 1.880 3.096 33.994 36.551 0.930 possible 4353 27 J THR N 12 N3H1s 0.700 1.640 2.339 12.289 13.544 0.907 [OK] 4354 27 J THR CA 3 C4H1s 0.770 1.880 2.674 12.731 13.025 0.977 [OK] 4355 27 J THR C 1 C3H0s 0.770 1.610 2.604 8.284 8.685 0.954 [OK] 4356 27 J THR O 16 O1H0u 0.660 1.420 2.361 14.376 15.795 0.910 [OK] 4357 27 J THR CB 4 C4H1b 0.770 1.880 3.510 16.248 14.687 1.106 possible 4358 27 J THR OG1 17 O2H1u 0.660 1.460 2.679 20.998 17.610 1.192 [OK] 4359 27 J THR CG2 10 C4H3u 0.770 1.880 3.802 42.608 36.265 1.175 possible 4362 28 J VAL N 12 N3H1s 0.700 1.640 2.895 13.373 13.553 0.987 [OK] 4363 28 J VAL CA 3 C4H1s 0.770 1.880 3.165 14.310 13.078 1.094 possible 4364 28 J VAL C 1 C3H0s 0.770 1.610 2.664 7.624 8.528 0.894 [OK] 4365 28 J VAL O 16 O1H0u 0.660 1.420 2.891 16.375 15.998 1.024 [OK] 4366 28 J VAL CB 4 C4H1b 0.770 1.880 3.485 16.312 14.514 1.124 possible 4367 28 J VAL CG1 10 C4H3u 0.770 1.880 4.900 64.026 36.320 1.763 possible 4368 28 J VAL CG2 10 C4H3u 0.770 1.880 4.880 73.922 36.173 2.044 possible 4370 29 J VAL N 12 N3H1s 0.700 1.640 2.958 13.912 13.553 1.026 [OK] 4371 29 J VAL CA 3 C4H1s 0.770 1.880 3.920 17.402 13.078 1.331 possible 4372 29 J VAL C 1 C3H0s 0.770 1.610 2.262 7.580 8.528 0.889 [OK] 4373 29 J VAL O 16 O1H0u 0.660 1.420 2.850 14.942 15.998 0.934 [OK] 4374 29 J VAL CB 4 C4H1b 0.770 1.880 2.866 14.644 14.514 1.009 [OK] 4375 29 J VAL CG1 10 C4H3u 0.770 1.880 3.390 35.792 36.320 0.985 possible 4376 29 J VAL CG2 10 C4H3u 0.770 1.880 6.543 82.191 36.173 2.272 possible 4378 30 J ALA N 12 N3H1s 0.700 1.640 2.214 12.831 13.872 0.925 [OK] 4379 30 J ALA CA 4 C4H1b 0.770 1.880 2.711 13.983 13.959 1.002 [OK] 4380 30 J ALA C 1 C3H0s 0.770 1.610 2.134 8.074 8.858 0.912 [OK] 4381 30 J ALA O 16 O1H0u 0.660 1.420 2.351 15.711 16.026 0.980 [OK] 4382 30 J ALA CB 10 C4H3u 0.770 1.880 2.981 32.278 36.551 0.883 [OK] 4384 31 J ILE N 12 N3H1s 0.700 1.640 2.244 11.903 13.493 0.882 [OK] 4385 31 J ILE CA 3 C4H1s 0.770 1.880 2.751 14.350 12.946 1.108 [OK] 4386 31 J ILE C 1 C3H0s 0.770 1.610 2.538 7.597 8.445 0.900 [OK] 4387 31 J ILE O 16 O1H0u 0.660 1.420 2.677 17.497 15.930 1.098 [OK] 4388 31 J ILE CB 4 C4H1b 0.770 1.880 3.216 14.481 14.146 1.024 possible 4389 31 J ILE CG1 9 C4H2b 0.770 1.880 3.303 26.383 24.071 1.096 possible 4390 31 J ILE CG2 10 C4H3u 0.770 1.880 3.162 42.377 35.763 1.185 possible 4391 31 J ILE CD1 10 C4H3u 0.770 1.880 3.938 50.645 38.219 1.325 possible 4393 32 J ALA N 12 N3H1s 0.700 1.640 2.594 12.813 13.872 0.924 [OK] 4394 32 J ALA CA 4 C4H1b 0.770 1.880 3.763 16.031 13.959 1.148 possible 4395 32 J ALA C 1 C3H0s 0.770 1.610 2.284 8.348 8.858 0.942 [OK] 4396 32 J ALA O 16 O1H0u 0.660 1.420 4.433 22.913 16.026 1.430 possible 4397 32 J ALA CB 10 C4H3u 0.770 1.880 5.281 66.658 36.551 1.824 possible 4399 33 J VAL N 12 N3H1s 0.700 1.640 2.623 13.056 13.553 0.963 [OK] 4400 33 J VAL CA 3 C4H1s 0.770 1.880 2.869 13.337 13.078 1.020 [OK] 4401 33 J VAL C 1 C3H0s 0.770 1.610 2.233 7.799 8.528 0.914 [OK] 4402 33 J VAL O 16 O1H0u 0.660 1.420 3.064 15.168 15.998 0.948 possible 4403 33 J VAL CB 4 C4H1b 0.770 1.880 2.874 15.883 14.514 1.094 [OK] 4404 33 J VAL CG1 10 C4H3u 0.770 1.880 4.073 42.873 36.320 1.180 possible 4405 33 J VAL CG2 10 C4H3u 0.770 1.880 3.996 44.380 36.173 1.227 possible 4407 34 J HIS N 12 N3H1s 0.700 1.640 2.539 13.630 13.532 1.007 [OK] 4408 34 J HIS CA 3 C4H1s 0.770 1.880 3.252 15.987 13.335 1.199 possible 4409 34 J HIS C 1 C3H0s 0.770 1.610 2.787 8.892 8.760 1.015 [OK] 4410 34 J HIS O 16 O1H0u 0.660 1.420 2.527 17.199 15.855 1.085 [OK] 4411 34 J HIS CB 8 C4H2s 0.770 1.880 2.920 24.200 23.443 1.032 [OK] 4412 34 J HIS CG 2 C3H0b 0.770 1.610 2.542 9.298 9.870 0.942 [OK] 4413 34 J HIS ND1 13 N3H1b 0.700 1.640 2.571 14.932 15.483 0.964 [OK] 4414 34 J HIS CD2 5 C3H1s 0.770 1.760 3.125 21.701 20.938 1.036 possible 4415 34 J HIS CE1 5 C3H1s 0.770 1.760 2.604 17.269 20.491 0.843 [OK] 4416 34 J HIS NE2 13 N3H1b 0.700 1.640 2.416 11.027 15.758 0.700 [OK] 4420 35 J ALA N 12 N3H1s 0.700 1.640 2.874 14.594 13.872 1.052 [OK] 4421 35 J ALA CA 4 C4H1b 0.770 1.880 3.179 17.267 13.959 1.237 possible 4422 35 J ALA C 1 C3H0s 0.770 1.610 2.890 8.548 8.858 0.965 [OK] 4423 35 J ALA O 16 O1H0u 0.660 1.420 2.548 16.702 16.026 1.042 [OK] 4424 35 J ALA CB 10 C4H3u 0.770 1.880 4.412 48.365 36.551 1.323 possible 4426 36 J ALA N 12 N3H1s 0.700 1.640 4.261 15.661 13.872 1.129 possible 4427 36 J ALA CA 4 C4H1b 0.770 1.880 4.753 23.619 13.959 1.692 possible 4428 36 J ALA C 1 C3H0s 0.770 1.610 3.982 9.352 8.858 1.056 possible 4429 36 J ALA O 16 O1H0u 0.660 1.420 4.025 19.456 16.026 1.214 possible 4430 36 J ALA CB 10 C4H3u 0.770 1.880 6.865 83.725 36.551 2.291 possible 4432 37 J VAL N 12 N3H1s 0.700 1.640 3.948 14.054 13.553 1.037 possible 4433 37 J VAL CA 3 C4H1s 0.770 1.880 4.456 17.799 13.078 1.361 possible 4434 37 J VAL C 1 C3H0s 0.770 1.610 2.505 7.635 8.528 0.895 [OK] 4435 37 J VAL O 16 O1H0u 0.660 1.420 2.499 16.790 15.998 1.049 [OK] 4436 37 J VAL CB 4 C4H1b 0.770 1.880 4.200 22.512 14.514 1.551 possible 4437 37 J VAL CG1 10 C4H3u 0.770 1.880 4.272 44.779 36.320 1.233 possible 4438 37 J VAL CG2 10 C4H3u 0.770 1.880 3.222 34.796 36.173 0.962 possible 4440 38 J LEU N 12 N3H1s 0.700 1.640 2.526 13.128 13.517 0.971 [OK] 4441 38 J LEU CA 3 C4H1s 0.770 1.880 2.914 13.530 13.055 1.036 [OK] 4442 38 J LEU C 1 C3H0s 0.770 1.610 2.507 8.794 8.781 1.001 [OK] 4443 38 J LEU O 16 O1H0u 0.660 1.420 2.738 20.772 15.957 1.302 [OK] 4444 38 J LEU CB 8 C4H2s 0.770 1.880 2.830 22.060 22.818 0.967 [OK] 4445 38 J LEU CG 4 C4H1b 0.770 1.880 2.743 12.908 14.704 0.878 [OK] 4446 38 J LEU CD1 10 C4H3u 0.770 1.880 3.179 38.287 37.235 1.028 possible 4447 38 J LEU CD2 10 C4H3u 0.770 1.880 2.800 29.823 37.020 0.806 [OK] 4449 39 J ALA N 12 N3H1s 0.700 1.640 2.538 12.883 13.872 0.929 [OK] 4450 39 J ALA CA 4 C4H1b 0.770 1.880 3.537 16.353 13.959 1.171 possible 4451 39 J ALA C 1 C3H0s 0.770 1.610 2.458 9.412 8.858 1.063 [OK] 4452 39 J ALA O 16 O1H0u 0.660 1.420 18.704 -1.000 16.026 -1.000 bad 4453 39 J ALA CB 10 C4H3u 0.770 1.880 4.988 56.127 36.551 1.536 possible 4455 40 J ALA N 12 N3H1s 0.700 1.640 2.372 13.805 13.872 0.995 [OK] 4456 40 J ALA CA 4 C4H1b 0.770 1.880 3.570 13.419 13.959 0.961 possible 4457 40 J ALA C 1 C3H0s 0.770 1.610 3.067 9.113 8.858 1.029 possible 4458 40 J ALA O 16 O1H0u 0.660 1.420 2.777 16.297 16.026 1.017 [OK] 4459 40 J ALA CB 10 C4H3u 0.770 1.880 30.353 -1.000 36.551 -1.000 bad 4461 41 J PRO N 11 N3H0u 0.700 1.640 3.423 10.042 8.650 1.161 possible 4462 41 J PRO CA 4 C4H1b 0.770 1.880 5.329 23.152 13.828 1.674 possible 4463 41 J PRO C 1 C3H0s 0.770 1.610 3.510 10.844 8.768 1.237 possible 4464 41 J PRO O 16 O1H0u 0.660 1.420 2.947 23.651 15.856 1.492 [OK] 4465 41 J PRO CB 9 C4H2b 0.770 1.880 5.735 40.198 25.314 1.588 possible 4466 41 J PRO CG 9 C4H2b 0.770 1.880 28.878 -1.000 25.480 -1.000 bad 4467 41 J PRO CD 8 C4H2s 0.770 1.880 7.287 73.195 23.390 3.129 possible 4468 42 J GLY N 12 N3H1s 0.700 1.640 3.669 19.248 14.480 1.329 possible 4469 42 J GLY CA 8 C4H2s 0.770 1.880 3.924 33.898 23.470 1.444 possible 4470 42 J GLY C 2 C3H0b 0.770 1.610 3.641 12.788 9.652 1.325 possible 4471 42 J GLY O 16 O1H0u 0.660 1.420 3.114 22.851 16.154 1.415 possible 4473 43 J PHE N 12 N3H1s 0.700 1.640 3.269 14.143 13.524 1.046 possible 4474 43 J PHE CA 3 C4H1s 0.770 1.880 3.109 12.653 13.371 0.946 possible 4475 43 J PHE C 1 C3H0s 0.770 1.610 2.860 10.047 8.697 1.155 [OK] 4476 43 J PHE O 16 O1H0u 0.660 1.420 2.649 19.125 15.961 1.198 [OK] 4477 43 J PHE CB 8 C4H2s 0.770 1.880 3.406 24.449 23.623 1.035 possible 4478 43 J PHE CG 2 C3H0b 0.770 1.610 2.966 11.072 9.684 1.143 [OK] 4479 43 J PHE CD1 5 C3H1s 0.770 1.760 2.951 22.813 20.325 1.122 [OK] 4480 43 J PHE CD2 6 C3H1b 0.770 1.760 5.898 62.352 20.948 2.977 possible 4481 43 J PHE CE1 6 C3H1b 0.770 1.760 2.852 21.288 21.532 0.989 [OK] 4482 43 J PHE CE2 6 C3H1b 0.770 1.760 5.489 41.127 21.625 1.902 possible 4483 43 J PHE CZ 6 C3H1b 0.770 1.760 2.696 19.044 21.555 0.884 [OK] 4485 44 J ASN N 12 N3H1s 0.700 1.640 3.090 18.425 13.525 1.362 possible 4486 44 J ASN CA 3 C4H1s 0.770 1.880 2.745 13.290 13.052 1.018 [OK] 4487 44 J ASN C 1 C3H0s 0.770 1.610 2.449 8.137 8.853 0.919 [OK] 4488 44 J ASN O 16 O1H0u 0.660 1.420 2.905 15.529 15.857 0.979 [OK] 4489 44 J ASN CB 8 C4H2s 0.770 1.880 3.525 29.437 22.756 1.294 possible 4490 44 J ASN CG 2 C3H0b 0.770 1.610 2.612 8.772 9.537 0.920 [OK] 4491 44 J ASN OD1 16 O1H0u 0.660 1.420 2.784 21.779 16.247 1.341 [OK] 4492 44 J ASN ND2 15 N3H2u 0.700 1.640 2.565 17.461 22.525 0.775 [OK] 4496 45 J TRP N 12 N3H1s 0.700 1.640 2.812 14.540 13.639 1.066 [OK] 4497 45 J TRP CA 3 C4H1s 0.770 1.880 3.075 15.619 13.323 1.172 possible 4498 45 J TRP C 1 C3H0s 0.770 1.610 2.231 8.189 8.687 0.943 [OK] 4499 45 J TRP O 16 O1H0u 0.660 1.420 2.562 18.466 15.797 1.169 [OK] 4500 45 J TRP CB 8 C4H2s 0.770 1.880 3.190 29.605 23.826 1.243 possible 4501 45 J TRP CG 2 C3H0b 0.770 1.610 2.506 9.941 9.915 1.003 [OK] 4502 45 J TRP CD1 5 C3H1s 0.770 1.760 2.963 25.846 20.597 1.255 [OK] 4503 45 J TRP CD2 2 C3H0b 0.770 1.610 2.362 9.612 10.068 0.955 [OK] 4504 45 J TRP NE1 13 N3H1b 0.700 1.640 2.769 15.099 16.723 0.903 [OK] 4505 45 J TRP CE2 2 C3H0b 0.770 1.610 2.251 9.120 9.848 0.926 [OK] 4506 45 J TRP CE3 6 C3H1b 0.770 1.760 2.813 18.852 20.383 0.925 [OK] 4507 45 J TRP CZ2 6 C3H1b 0.770 1.760 2.665 18.868 20.931 0.901 [OK] 4508 45 J TRP CZ3 6 C3H1b 0.770 1.760 3.098 18.945 21.429 0.884 possible 4509 45 J TRP CH2 6 C3H1b 0.770 1.760 3.046 21.308 21.219 1.004 possible 4512 46 J ILE N 12 N3H1s 0.700 1.640 2.379 11.710 13.493 0.868 [OK] 4513 46 J ILE CA 3 C4H1s 0.770 1.880 3.031 15.450 12.946 1.193 possible 4514 46 J ILE C 1 C3H0s 0.770 1.610 2.325 8.425 8.445 0.998 [OK] 4515 46 J ILE O 16 O1H0u 0.660 1.420 2.663 17.921 15.930 1.125 [OK] 4516 46 J ILE CB 4 C4H1b 0.770 1.880 2.844 12.855 14.146 0.909 [OK] 4517 46 J ILE CG1 9 C4H2b 0.770 1.880 2.970 20.123 24.071 0.836 [OK] 4518 46 J ILE CG2 10 C4H3u 0.770 1.880 2.969 36.818 35.763 1.030 [OK] 4519 46 J ILE CD1 10 C4H3u 0.770 1.880 3.258 41.805 38.219 1.094 possible 4521 47 J ALA N 12 N3H1s 0.700 1.640 2.376 11.411 13.872 0.823 [OK] 4522 47 J ALA CA 4 C4H1b 0.770 1.880 3.159 16.490 13.959 1.181 possible 4523 47 J ALA C 1 C3H0s 0.770 1.610 2.350 8.387 8.858 0.947 [OK] 4524 47 J ALA O 16 O1H0u 0.660 1.420 2.473 14.738 16.026 0.920 [OK] 4525 47 J ALA CB 10 C4H3u 0.770 1.880 3.577 41.426 36.551 1.133 possible 4527 48 J LEU N 12 N3H1s 0.700 1.640 2.817 13.806 13.517 1.021 [OK] 4528 48 J LEU CA 3 C4H1s 0.770 1.880 2.988 13.302 13.055 1.019 [OK] 4529 48 J LEU C 1 C3H0s 0.770 1.610 3.171 8.783 8.781 1.000 possible 4530 48 J LEU O 16 O1H0u 0.660 1.420 4.643 26.353 15.957 1.652 possible 4531 48 J LEU CB 8 C4H2s 0.770 1.880 4.237 27.903 22.818 1.223 possible 4532 48 J LEU CG 4 C4H1b 0.770 1.880 6.214 52.762 14.704 3.588 possible 4533 48 J LEU CD1 10 C4H3u 0.770 1.880 5.217 48.780 37.235 1.310 possible 4534 48 J LEU CD2 10 C4H3u 0.770 1.880 4.145 49.139 37.020 1.327 possible 4536 49 J GLY N 12 N3H1s 0.700 1.640 2.868 14.121 14.480 0.975 [OK] 4537 49 J GLY CA 8 C4H2s 0.770 1.880 3.455 30.030 23.470 1.280 possible 4538 49 J GLY C 2 C3H0b 0.770 1.610 2.697 10.030 9.652 1.039 [OK] 4539 49 J GLY O 16 O1H0u 0.660 1.420 3.042 21.083 16.154 1.305 possible 4541 50 J ALA N 12 N3H1s 0.700 1.640 2.731 13.603 13.872 0.981 [OK] 4542 50 J ALA CA 4 C4H1b 0.770 1.880 3.042 16.421 13.959 1.176 possible 4543 50 J ALA C 1 C3H0s 0.770 1.610 2.622 8.865 8.858 1.001 [OK] 4544 50 J ALA O 16 O1H0u 0.660 1.420 2.511 16.304 16.026 1.017 [OK] 4545 50 J ALA CB 10 C4H3u 0.770 1.880 3.135 35.212 36.551 0.963 possible 4547 51 J ALA N 12 N3H1s 0.700 1.640 2.337 12.005 13.872 0.865 [OK] 4548 51 J ALA CA 4 C4H1b 0.770 1.880 2.817 12.193 13.959 0.873 [OK] 4549 51 J ALA C 1 C3H0s 0.770 1.610 3.562 8.787 8.858 0.992 possible 4550 51 J ALA O 16 O1H0u 0.660 1.420 3.324 18.247 16.026 1.139 possible 4551 51 J ALA CB 10 C4H3u 0.770 1.880 4.677 39.029 36.551 1.068 possible 4553 52 J LYS N 12 N3H1s 0.700 1.640 4.754 17.152 13.429 1.277 possible 4554 52 J LYS CA 3 C4H1s 0.770 1.880 6.363 26.142 13.217 1.978 possible 4555 52 J LYS C 1 C3H0s 0.770 1.610 2.295 7.724 8.696 0.888 [OK] 4556 52 J LYS O 16 O1H0u 0.660 1.420 3.882 17.194 15.818 1.087 possible 4557 52 J LYS CB 8 C4H2s 0.770 1.880 6.644 40.817 22.578 1.808 possible 4558 52 J LYS CG 8 C4H2s 0.770 1.880 5.853 39.662 22.847 1.736 possible 4559 52 J LYS CD 8 C4H2s 0.770 1.880 6.266 51.518 23.365 2.205 possible 4560 52 J LYS CE 9 C4H2b 0.770 1.880 35.787 -1.000 23.720 -1.000 bad 4561 52 J LYS NZ 14 N4H3u 0.700 1.640 33.822 -1.000 21.413 -1.000 bad 4566 53 J SER N 12 N3H1s 0.700 1.640 2.765 13.661 13.808 0.989 [OK] 4567 53 J SER CA 3 C4H1s 0.770 1.880 2.899 11.346 13.351 0.850 [OK] 4568 53 J SER C 1 C3H0s 0.770 1.610 3.575 9.205 8.858 1.039 possible 4569 53 J SER O 16 O1H0u 0.660 1.420 7.305 71.882 15.860 4.532 possible 4570 53 J SER CB 8 C4H2s 0.770 1.880 5.586 45.267 23.599 1.918 possible 4571 53 J SER OG 17 O2H1u 0.660 1.460 4.135 27.851 18.021 1.545 possible 4574 54 J ALA N 12 N3H1s 0.700 1.640 3.549 13.771 13.872 0.993 possible 4575 54 J ALA CA 4 C4H1b 0.770 1.880 11.273 -1.000 13.959 -1.000 bad 4576 54 J ALA C 1 C3H0s 0.770 1.610 4.109 9.315 8.858 1.052 possible 4577 54 J ALA O 16 O1H0u 0.660 1.420 25.853 -1.000 16.026 -1.000 bad 4578 54 J ALA CB 10 C4H3u 0.770 1.880 27.382 -1.000 36.551 -1.000 bad 4580 55 J ALA N 12 N3H1s 0.700 1.640 4.269 14.759 13.872 1.064 possible 4581 55 J ALA CA 4 C4H1b 0.770 1.880 5.474 27.379 13.959 1.961 possible 4582 55 J ALA C 1 C3H0s 0.770 1.610 3.454 9.888 8.858 1.116 possible 4583 55 J ALA O 16 O1H0u 0.660 1.420 6.165 69.927 16.026 4.363 possible 4584 55 J ALA CB 10 C4H3u 0.770 1.880 7.137 125.843 36.551 3.443 possible 4586 56 J LYS N 12 N3H1s 0.700 1.640 3.136 13.949 13.429 1.039 possible 4587 56 J LYS CA 3 C4H1s 0.770 1.880 6.068 24.205 13.217 1.831 possible 4588 56 J LYS C 1 C3H0s 0.770 1.610 4.435 10.090 8.696 1.160 possible 4589 56 J LYS O 16 O1H0u 0.660 1.420 44.765 -1.000 15.818 -1.000 bad 4590 56 J LYS CB 8 C4H2s 0.770 1.880 16.138 -1.000 22.578 -1.000 bad 4591 56 J LYS CG 8 C4H2s 0.770 1.880 21.960 -1.000 22.847 -1.000 bad 4592 56 J LYS CD 8 C4H2s 0.770 1.880 32.004 -1.000 23.365 -1.000 bad 4593 56 J LYS CE 9 C4H2b 0.770 1.880 8.461 -1.000 23.720 -1.000 bad 4594 56 J LYS NZ 14 N4H3u 0.700 1.640 18.599 -1.000 21.413 -1.000 bad 4595 56 J LYS OXT 16 O1H0u 0.660 1.420 23.527 -1.000 1.420 -1.000 bad 4601 3 K ARG N 12 N3H1s 0.700 1.640 38.001 -1.000 13.486 -1.000 bad 4602 3 K ARG CA 3 C4H1s 0.770 1.880 3.139 12.541 13.310 0.942 possible 4603 3 K ARG C 1 C3H0s 0.770 1.610 4.121 10.519 8.779 1.198 possible 4604 3 K ARG O 16 O1H0u 0.660 1.420 30.924 -1.000 15.916 -1.000 bad 4605 3 K ARG CB 8 C4H2s 0.770 1.880 26.782 -1.000 22.833 -1.000 bad 4606 3 K ARG CG 8 C4H2s 0.770 1.880 32.484 -1.000 23.273 -1.000 bad 4607 3 K ARG CD 8 C4H2s 0.770 1.880 36.356 -1.000 22.849 -1.000 bad 4608 3 K ARG NE 13 N3H1b 0.700 1.640 6.476 27.991 15.019 1.864 possible 4609 3 K ARG CZ 2 C3H0b 0.770 1.610 5.749 14.599 9.678 1.508 possible 4610 3 K ARG NH1 15 N3H2u 0.700 1.640 44.989 -1.000 22.056 -1.000 bad 4611 3 K ARG NH2 15 N3H2u 0.700 1.640 3.748 35.586 23.132 1.538 possible 4620 4 K SER N 12 N3H1s 0.700 1.640 4.248 19.244 13.808 1.394 possible 4621 4 K SER CA 3 C4H1s 0.770 1.880 7.818 40.149 13.351 3.007 possible 4622 4 K SER C 1 C3H0s 0.770 1.610 3.752 11.589 8.858 1.308 possible 4623 4 K SER O 16 O1H0u 0.660 1.420 6.076 51.951 15.860 3.276 possible 4624 4 K SER CB 8 C4H2s 0.770 1.880 5.761 48.812 23.599 2.068 possible 4625 4 K SER OG 17 O2H1u 0.660 1.460 2.541 16.317 18.021 0.905 [OK] 4628 5 K LEU N 12 N3H1s 0.700 1.640 4.792 22.224 13.517 1.644 possible 4629 5 K LEU CA 3 C4H1s 0.770 1.880 3.841 15.102 13.055 1.157 possible 4630 5 K LEU C 1 C3H0s 0.770 1.610 2.636 8.863 8.781 1.009 [OK] 4631 5 K LEU O 16 O1H0u 0.660 1.420 17.203 -1.000 15.957 -1.000 bad 4632 5 K LEU CB 8 C4H2s 0.770 1.880 4.113 26.348 22.818 1.155 possible 4633 5 K LEU CG 4 C4H1b 0.770 1.880 9.586 -1.000 14.704 -1.000 bad 4634 5 K LEU CD1 10 C4H3u 0.770 1.880 45.738 -1.000 37.235 -1.000 bad 4635 5 K LEU CD2 10 C4H3u 0.770 1.880 46.331 -1.000 37.020 -1.000 bad 4637 6 K SER N 12 N3H1s 0.700 1.640 2.352 12.271 13.808 0.889 [OK] 4638 6 K SER CA 3 C4H1s 0.770 1.880 3.895 18.207 13.351 1.364 possible 4639 6 K SER C 1 C3H0s 0.770 1.610 3.841 10.234 8.858 1.155 possible 4640 6 K SER O 16 O1H0u 0.660 1.420 11.212 -1.000 15.860 -1.000 bad 4641 6 K SER CB 8 C4H2s 0.770 1.880 2.797 22.124 23.599 0.938 [OK] 4642 6 K SER OG 17 O2H1u 0.660 1.460 2.356 15.406 18.021 0.855 [OK] 4645 7 K GLY N 12 N3H1s 0.700 1.640 3.642 14.641 14.480 1.011 possible 4646 7 K GLY CA 8 C4H2s 0.770 1.880 22.520 -1.000 23.470 -1.000 bad 4647 7 K GLY C 2 C3H0b 0.770 1.610 3.449 11.293 9.652 1.170 possible 4648 7 K GLY O 16 O1H0u 0.660 1.420 6.492 35.592 16.154 2.203 possible 4650 8 K LEU N 12 N3H1s 0.700 1.640 2.389 11.969 13.517 0.885 [OK] 4651 8 K LEU CA 3 C4H1s 0.770 1.880 2.863 13.064 13.055 1.001 [OK] 4652 8 K LEU C 1 C3H0s 0.770 1.610 2.402 9.172 8.781 1.045 [OK] 4653 8 K LEU O 16 O1H0u 0.660 1.420 3.844 21.322 15.957 1.336 possible 4654 8 K LEU CB 8 C4H2s 0.770 1.880 2.872 23.355 22.818 1.024 [OK] 4655 8 K LEU CG 4 C4H1b 0.770 1.880 2.754 14.080 14.704 0.958 [OK] 4656 8 K LEU CD1 10 C4H3u 0.770 1.880 2.946 35.726 37.235 0.959 [OK] 4657 8 K LEU CD2 10 C4H3u 0.770 1.880 3.537 37.128 37.020 1.003 possible 4659 9 K THR N 12 N3H1s 0.700 1.640 2.556 12.156 13.544 0.898 [OK] 4660 9 K THR CA 3 C4H1s 0.770 1.880 4.836 22.079 13.025 1.695 possible 4661 9 K THR C 1 C3H0s 0.770 1.610 2.403 8.252 8.685 0.950 [OK] 4662 9 K THR O 16 O1H0u 0.660 1.420 2.293 12.882 15.795 0.816 [OK] 4663 9 K THR CB 4 C4H1b 0.770 1.880 5.288 24.040 14.687 1.637 possible 4664 9 K THR OG1 17 O2H1u 0.660 1.460 4.253 20.979 17.610 1.191 possible 4665 9 K THR CG2 10 C4H3u 0.770 1.880 31.061 -1.000 36.265 -1.000 bad 4668 10 K GLU N 12 N3H1s 0.700 1.640 5.200 30.607 13.461 2.274 possible 4669 10 K GLU CA 3 C4H1s 0.770 1.880 2.851 14.028 13.284 1.056 [OK] 4670 10 K GLU C 1 C3H0s 0.770 1.610 3.297 8.819 8.631 1.022 possible 4671 10 K GLU O 16 O1H0u 0.660 1.420 2.518 14.595 15.765 0.926 [OK] 4672 10 K GLU CB 8 C4H2s 0.770 1.880 5.503 42.059 23.214 1.812 possible 4673 10 K GLU CG 8 C4H2s 0.770 1.880 7.077 36.555 23.304 1.569 possible 4674 10 K GLU CD 2 C3H0b 0.770 1.610 3.581 -1.000 9.437 -1.000 bad 4675 10 K GLU OE1 16 O1H0u 0.660 1.420 34.441 -1.000 15.497 -1.000 bad 4676 10 K GLU OE2 16 O1H0u 0.660 1.420 23.347 -1.000 16.213 -1.000 bad 4678 11 K GLU N 12 N3H1s 0.700 1.640 3.365 13.543 13.461 1.006 possible 4679 11 K GLU CA 3 C4H1s 0.770 1.880 4.001 18.578 13.284 1.399 possible 4680 11 K GLU C 1 C3H0s 0.770 1.610 2.516 8.531 8.631 0.988 [OK] 4681 11 K GLU O 16 O1H0u 0.660 1.420 2.808 20.038 15.765 1.271 [OK] 4682 11 K GLU CB 8 C4H2s 0.770 1.880 4.828 39.924 23.214 1.720 possible 4683 11 K GLU CG 8 C4H2s 0.770 1.880 37.872 -1.000 23.304 -1.000 bad 4684 11 K GLU CD 2 C3H0b 0.770 1.610 3.492 -1.000 9.437 -1.000 bad 4685 11 K GLU OE1 16 O1H0u 0.660 1.420 29.594 -1.000 15.497 -1.000 bad 4686 11 K GLU OE2 16 O1H0u 0.660 1.420 24.766 -1.000 16.213 -1.000 bad 4688 12 K GLU N 12 N3H1s 0.700 1.640 2.768 12.231 13.461 0.909 [OK] 4689 12 K GLU CA 3 C4H1s 0.770 1.880 2.889 15.048 13.284 1.133 [OK] 4690 12 K GLU C 1 C3H0s 0.770 1.610 2.278 8.359 8.631 0.968 [OK] 4691 12 K GLU O 16 O1H0u 0.660 1.420 2.587 16.101 15.765 1.021 [OK] 4692 12 K GLU CB 8 C4H2s 0.770 1.880 3.077 22.813 23.214 0.983 possible 4693 12 K GLU CG 8 C4H2s 0.770 1.880 4.932 36.660 23.304 1.573 possible 4694 12 K GLU CD 2 C3H0b 0.770 1.610 3.667 11.117 9.437 1.178 possible 4695 12 K GLU OE1 16 O1H0u 0.660 1.420 2.578 15.255 15.497 0.984 [OK] 4696 12 K GLU OE2 16 O1H0u 0.660 1.420 6.186 69.352 16.213 4.278 possible 4698 13 K ALA N 12 N3H1s 0.700 1.640 2.460 13.283 13.872 0.958 [OK] 4699 13 K ALA CA 4 C4H1b 0.770 1.880 2.928 15.541 13.959 1.113 [OK] 4700 13 K ALA C 1 C3H0s 0.770 1.610 2.411 8.246 8.858 0.931 [OK] 4701 13 K ALA O 16 O1H0u 0.660 1.420 2.339 15.519 16.026 0.968 [OK] 4702 13 K ALA CB 10 C4H3u 0.770 1.880 2.908 35.230 36.551 0.964 [OK] 4704 14 K ILE N 12 N3H1s 0.700 1.640 2.286 12.597 13.493 0.934 [OK] 4705 14 K ILE CA 3 C4H1s 0.770 1.880 2.734 13.379 12.946 1.033 [OK] 4706 14 K ILE C 1 C3H0s 0.770 1.610 2.706 8.091 8.445 0.958 [OK] 4707 14 K ILE O 16 O1H0u 0.660 1.420 2.824 15.852 15.930 0.995 [OK] 4708 14 K ILE CB 4 C4H1b 0.770 1.880 3.509 15.139 14.146 1.070 possible 4709 14 K ILE CG1 9 C4H2b 0.770 1.880 2.727 20.714 24.071 0.861 [OK] 4710 14 K ILE CG2 10 C4H3u 0.770 1.880 6.596 78.627 35.763 2.199 possible 4711 14 K ILE CD1 10 C4H3u 0.770 1.880 20.317 -1.000 38.219 -1.000 bad 4713 15 K ALA N 12 N3H1s 0.700 1.640 3.047 13.859 13.872 0.999 possible 4714 15 K ALA CA 4 C4H1b 0.770 1.880 3.232 16.774 13.959 1.202 possible 4715 15 K ALA C 1 C3H0s 0.770 1.610 2.172 8.383 8.858 0.946 [OK] 4716 15 K ALA O 16 O1H0u 0.660 1.420 2.342 15.565 16.026 0.971 [OK] 4717 15 K ALA CB 10 C4H3u 0.770 1.880 5.407 56.150 36.551 1.536 possible 4719 16 K VAL N 12 N3H1s 0.700 1.640 2.585 12.967 13.553 0.957 [OK] 4720 16 K VAL CA 3 C4H1s 0.770 1.880 2.482 11.787 13.078 0.901 [OK] 4721 16 K VAL C 1 C3H0s 0.770 1.610 2.496 7.348 8.528 0.862 [OK] 4722 16 K VAL O 16 O1H0u 0.660 1.420 2.552 15.325 15.998 0.958 [OK] 4723 16 K VAL CB 4 C4H1b 0.770 1.880 2.945 15.646 14.514 1.078 [OK] 4724 16 K VAL CG1 10 C4H3u 0.770 1.880 3.185 44.544 36.320 1.226 possible 4725 16 K VAL CG2 10 C4H3u 0.770 1.880 3.077 39.287 36.173 1.086 possible 4727 17 K HIS N 12 N3H1s 0.700 1.640 2.456 12.881 13.532 0.952 [OK] 4728 17 K HIS CA 3 C4H1s 0.770 1.880 2.819 13.208 13.335 0.990 [OK] 4729 17 K HIS C 1 C3H0s 0.770 1.610 2.204 8.022 8.760 0.916 [OK] 4730 17 K HIS O 16 O1H0u 0.660 1.420 2.620 14.764 15.855 0.931 [OK] 4731 17 K HIS CB 8 C4H2s 0.770 1.880 2.612 19.956 23.443 0.851 [OK] 4732 17 K HIS CG 2 C3H0b 0.770 1.610 2.376 8.642 9.870 0.876 [OK] 4733 17 K HIS ND1 13 N3H1b 0.700 1.640 2.760 16.664 15.483 1.076 [OK] 4734 17 K HIS CD2 5 C3H1s 0.770 1.760 2.985 21.445 20.938 1.024 [OK] 4735 17 K HIS CE1 5 C3H1s 0.770 1.760 2.938 18.493 20.491 0.903 [OK] 4736 17 K HIS NE2 13 N3H1b 0.700 1.640 3.003 16.741 15.758 1.062 possible 4740 18 K ASP N 12 N3H1s 0.700 1.640 2.142 11.812 13.654 0.865 [OK] 4741 18 K ASP CA 3 C4H1s 0.770 1.880 2.513 12.714 13.254 0.959 [OK] 4742 18 K ASP C 1 C3H0s 0.770 1.610 2.603 8.250 8.750 0.943 [OK] 4743 18 K ASP O 16 O1H0u 0.660 1.420 2.882 18.311 15.757 1.162 [OK] 4744 18 K ASP CB 8 C4H2s 0.770 1.880 3.273 23.431 23.022 1.018 possible 4745 18 K ASP CG 2 C3H0b 0.770 1.610 3.132 10.959 9.336 1.174 possible 4746 18 K ASP OD1 16 O1H0u 0.660 1.420 19.014 -1.000 15.078 -1.000 bad 4747 18 K ASP OD2 16 O1H0u 0.660 1.420 25.410 -1.000 15.582 -1.000 bad 4749 19 K GLN N 12 N3H1s 0.700 1.640 2.906 13.741 13.449 1.022 [OK] 4750 19 K GLN CA 3 C4H1s 0.770 1.880 3.959 17.544 13.231 1.326 possible 4751 19 K GLN C 1 C3H0s 0.770 1.610 2.183 8.306 8.744 0.950 [OK] 4752 19 K GLN O 16 O1H0u 0.660 1.420 2.292 14.339 15.767 0.909 [OK] 4753 19 K GLN CB 8 C4H2s 0.770 1.880 3.519 25.960 23.059 1.126 possible 4754 19 K GLN CG 8 C4H2s 0.770 1.880 2.878 21.199 23.218 0.913 [OK] 4755 19 K GLN CD 2 C3H0b 0.770 1.610 3.156 9.446 9.618 0.982 possible 4756 19 K GLN OE1 16 O1H0u 0.660 1.420 3.964 41.381 16.571 2.497 possible 4757 19 K GLN NE2 15 N3H2u 0.700 1.640 3.294 24.002 23.255 1.032 possible 4761 20 K PHE N 12 N3H1s 0.700 1.640 2.525 12.877 13.524 0.952 [OK] 4762 20 K PHE CA 3 C4H1s 0.770 1.880 2.663 13.747 13.371 1.028 [OK] 4763 20 K PHE C 1 C3H0s 0.770 1.610 2.232 7.624 8.697 0.877 [OK] 4764 20 K PHE O 16 O1H0u 0.660 1.420 2.281 14.332 15.961 0.898 [OK] 4765 20 K PHE CB 8 C4H2s 0.770 1.880 3.052 25.543 23.623 1.081 possible 4766 20 K PHE CG 2 C3H0b 0.770 1.610 2.667 10.184 9.684 1.052 [OK] 4767 20 K PHE CD1 5 C3H1s 0.770 1.760 2.945 17.196 20.325 0.846 [OK] 4768 20 K PHE CD2 6 C3H1b 0.770 1.760 3.036 21.906 20.948 1.046 possible 4769 20 K PHE CE1 6 C3H1b 0.770 1.760 2.932 20.934 21.532 0.972 [OK] 4770 20 K PHE CE2 6 C3H1b 0.770 1.760 3.168 22.266 21.625 1.030 possible 4771 20 K PHE CZ 6 C3H1b 0.770 1.760 2.977 22.754 21.555 1.056 [OK] 4773 21 K LYS N 12 N3H1s 0.700 1.640 2.824 13.257 13.429 0.987 [OK] 4774 21 K LYS CA 3 C4H1s 0.770 1.880 2.775 13.261 13.217 1.003 [OK] 4775 21 K LYS C 1 C3H0s 0.770 1.610 3.943 8.762 8.696 1.008 possible 4776 21 K LYS O 16 O1H0u 0.660 1.420 4.367 19.127 15.818 1.209 possible 4777 21 K LYS CB 8 C4H2s 0.770 1.880 4.412 24.969 22.578 1.106 possible 4778 21 K LYS CG 8 C4H2s 0.770 1.880 3.049 22.279 22.847 0.975 possible 4779 21 K LYS CD 8 C4H2s 0.770 1.880 6.579 46.192 23.365 1.977 possible 4780 21 K LYS CE 9 C4H2b 0.770 1.880 7.395 46.116 23.720 1.944 possible 4781 21 K LYS NZ 14 N4H3u 0.700 1.640 25.730 -1.000 21.413 -1.000 bad 4786 22 K THR N 12 N3H1s 0.700 1.640 3.455 13.769 13.544 1.017 possible 4787 22 K THR CA 3 C4H1s 0.770 1.880 4.859 20.545 13.025 1.577 possible 4788 22 K THR C 1 C3H0s 0.770 1.610 2.091 7.935 8.685 0.914 [OK] 4789 22 K THR O 16 O1H0u 0.660 1.420 5.384 23.264 15.795 1.473 possible 4790 22 K THR CB 4 C4H1b 0.770 1.880 3.136 13.844 14.687 0.943 possible 4791 22 K THR OG1 17 O2H1u 0.660 1.460 21.513 -1.000 17.610 -1.000 bad 4792 22 K THR CG2 10 C4H3u 0.770 1.880 30.725 -1.000 36.265 -1.000 bad 4795 23 K THR N 12 N3H1s 0.700 1.640 2.418 12.681 13.544 0.936 [OK] 4796 23 K THR CA 3 C4H1s 0.770 1.880 2.580 12.415 13.025 0.953 [OK] 4797 23 K THR C 1 C3H0s 0.770 1.610 2.217 8.031 8.685 0.925 [OK] 4798 23 K THR O 16 O1H0u 0.660 1.420 2.621 15.514 15.795 0.982 [OK] 4799 23 K THR CB 4 C4H1b 0.770 1.880 2.717 14.374 14.687 0.979 [OK] 4800 23 K THR OG1 17 O2H1u 0.660 1.460 2.297 16.103 17.610 0.914 [OK] 4801 23 K THR CG2 10 C4H3u 0.770 1.880 3.094 34.754 36.265 0.958 possible 4804 24 K PHE N 12 N3H1s 0.700 1.640 2.430 13.456 13.524 0.995 [OK] 4805 24 K PHE CA 3 C4H1s 0.770 1.880 2.843 14.406 13.371 1.077 [OK] 4806 24 K PHE C 1 C3H0s 0.770 1.610 2.346 7.927 8.697 0.911 [OK] 4807 24 K PHE O 16 O1H0u 0.660 1.420 2.492 14.974 15.961 0.938 [OK] 4808 24 K PHE CB 8 C4H2s 0.770 1.880 2.826 21.987 23.623 0.931 [OK] 4809 24 K PHE CG 2 C3H0b 0.770 1.610 2.624 9.513 9.684 0.982 [OK] 4810 24 K PHE CD1 5 C3H1s 0.770 1.760 2.832 19.765 20.325 0.972 [OK] 4811 24 K PHE CD2 6 C3H1b 0.770 1.760 3.746 22.922 20.948 1.094 possible 4812 24 K PHE CE1 6 C3H1b 0.770 1.760 2.949 24.983 21.532 1.160 [OK] 4813 24 K PHE CE2 6 C3H1b 0.770 1.760 3.839 25.642 21.625 1.186 possible 4814 24 K PHE CZ 6 C3H1b 0.770 1.760 3.048 21.077 21.555 0.978 possible 4816 25 K SER N 12 N3H1s 0.700 1.640 2.572 13.033 13.808 0.944 [OK] 4817 25 K SER CA 3 C4H1s 0.770 1.880 3.873 17.129 13.351 1.283 possible 4818 25 K SER C 1 C3H0s 0.770 1.610 4.124 9.101 8.858 1.027 possible 4819 25 K SER O 16 O1H0u 0.660 1.420 4.331 19.414 15.860 1.224 possible 4820 25 K SER CB 8 C4H2s 0.770 1.880 26.701 -1.000 23.599 -1.000 bad 4821 25 K SER OG 17 O2H1u 0.660 1.460 10.355 -1.000 18.021 -1.000 bad 4824 26 K ALA N 12 N3H1s 0.700 1.640 5.051 15.981 13.872 1.152 possible 4825 26 K ALA CA 4 C4H1b 0.770 1.880 5.592 23.441 13.959 1.679 possible 4826 26 K ALA C 1 C3H0s 0.770 1.610 2.744 8.906 8.858 1.005 [OK] 4827 26 K ALA O 16 O1H0u 0.660 1.420 2.643 16.781 16.026 1.047 [OK] 4828 26 K ALA CB 10 C4H3u 0.770 1.880 5.410 45.832 36.551 1.254 possible 4830 27 K PHE N 12 N3H1s 0.700 1.640 2.773 13.132 13.524 0.971 [OK] 4831 27 K PHE CA 3 C4H1s 0.770 1.880 3.306 17.934 13.371 1.341 possible 4832 27 K PHE C 1 C3H0s 0.770 1.610 2.510 8.123 8.697 0.934 [OK] 4833 27 K PHE O 16 O1H0u 0.660 1.420 2.786 16.404 15.961 1.028 [OK] 4834 27 K PHE CB 8 C4H2s 0.770 1.880 3.094 26.608 23.623 1.126 possible 4835 27 K PHE CG 2 C3H0b 0.770 1.610 2.761 10.393 9.684 1.073 [OK] 4836 27 K PHE CD1 5 C3H1s 0.770 1.760 3.148 28.363 20.325 1.395 possible 4837 27 K PHE CD2 6 C3H1b 0.770 1.760 2.793 23.007 20.948 1.098 [OK] 4838 27 K PHE CE1 6 C3H1b 0.770 1.760 3.109 24.964 21.532 1.159 possible 4839 27 K PHE CE2 6 C3H1b 0.770 1.760 2.871 22.020 21.625 1.018 [OK] 4840 27 K PHE CZ 6 C3H1b 0.770 1.760 3.039 24.150 21.555 1.120 possible 4842 28 K ILE N 12 N3H1s 0.700 1.640 2.469 12.800 13.493 0.949 [OK] 4843 28 K ILE CA 3 C4H1s 0.770 1.880 2.922 12.581 12.946 0.972 [OK] 4844 28 K ILE C 1 C3H0s 0.770 1.610 2.284 7.500 8.445 0.888 [OK] 4845 28 K ILE O 16 O1H0u 0.660 1.420 2.540 16.278 15.930 1.022 [OK] 4846 28 K ILE CB 4 C4H1b 0.770 1.880 4.214 18.718 14.146 1.323 possible 4847 28 K ILE CG1 9 C4H2b 0.770 1.880 4.097 28.533 24.071 1.185 possible 4848 28 K ILE CG2 10 C4H3u 0.770 1.880 4.547 42.115 35.763 1.178 possible 4849 28 K ILE CD1 10 C4H3u 0.770 1.880 3.148 39.537 38.219 1.034 possible 4851 29 K ILE N 12 N3H1s 0.700 1.640 2.476 13.176 13.493 0.977 [OK] 4852 29 K ILE CA 3 C4H1s 0.770 1.880 3.278 14.394 12.946 1.112 possible 4853 29 K ILE C 1 C3H0s 0.770 1.610 2.138 7.652 8.445 0.906 [OK] 4854 29 K ILE O 16 O1H0u 0.660 1.420 4.069 17.846 15.930 1.120 possible 4855 29 K ILE CB 4 C4H1b 0.770 1.880 7.532 -1.000 14.146 -1.000 bad 4856 29 K ILE CG1 9 C4H2b 0.770 1.880 7.353 39.184 24.071 1.628 possible 4857 29 K ILE CG2 10 C4H3u 0.770 1.880 31.203 -1.000 35.763 -1.000 bad 4858 29 K ILE CD1 10 C4H3u 0.770 1.880 34.258 -1.000 38.219 -1.000 bad 4860 30 K LEU N 12 N3H1s 0.700 1.640 2.211 11.815 13.517 0.874 [OK] 4861 30 K LEU CA 3 C4H1s 0.770 1.880 2.889 13.222 13.055 1.013 [OK] 4862 30 K LEU C 1 C3H0s 0.770 1.610 2.317 8.408 8.781 0.958 [OK] 4863 30 K LEU O 16 O1H0u 0.660 1.420 3.951 20.815 15.957 1.304 possible 4864 30 K LEU CB 8 C4H2s 0.770 1.880 3.647 26.815 22.818 1.175 possible 4865 30 K LEU CG 4 C4H1b 0.770 1.880 3.037 15.159 14.704 1.031 possible 4866 30 K LEU CD1 10 C4H3u 0.770 1.880 3.962 52.758 37.235 1.417 possible 4867 30 K LEU CD2 10 C4H3u 0.770 1.880 34.835 -1.000 37.020 -1.000 bad 4869 31 K ALA N 12 N3H1s 0.700 1.640 2.911 13.388 13.872 0.965 [OK] 4870 31 K ALA CA 4 C4H1b 0.770 1.880 2.754 13.984 13.959 1.002 [OK] 4871 31 K ALA C 1 C3H0s 0.770 1.610 2.589 8.747 8.858 0.987 [OK] 4872 31 K ALA O 16 O1H0u 0.660 1.420 2.443 14.709 16.026 0.918 [OK] 4873 31 K ALA CB 10 C4H3u 0.770 1.880 3.135 40.601 36.551 1.111 possible 4875 32 K ALA N 12 N3H1s 0.700 1.640 2.500 13.193 13.872 0.951 [OK] 4876 32 K ALA CA 4 C4H1b 0.770 1.880 3.217 16.195 13.959 1.160 possible 4877 32 K ALA C 1 C3H0s 0.770 1.610 3.628 9.172 8.858 1.035 possible 4878 32 K ALA O 16 O1H0u 0.660 1.420 2.918 17.804 16.026 1.111 [OK] 4879 32 K ALA CB 10 C4H3u 0.770 1.880 6.347 64.728 36.551 1.771 possible 4881 33 K VAL N 12 N3H1s 0.700 1.640 3.782 14.267 13.553 1.053 possible 4882 33 K VAL CA 3 C4H1s 0.770 1.880 3.754 17.184 13.078 1.314 possible 4883 33 K VAL C 1 C3H0s 0.770 1.610 2.509 7.681 8.528 0.901 [OK] 4884 33 K VAL O 16 O1H0u 0.660 1.420 3.025 15.952 15.998 0.997 possible 4885 33 K VAL CB 4 C4H1b 0.770 1.880 3.246 15.410 14.514 1.062 possible 4886 33 K VAL CG1 10 C4H3u 0.770 1.880 36.019 -1.000 36.320 -1.000 bad 4887 33 K VAL CG2 10 C4H3u 0.770 1.880 38.148 -1.000 36.173 -1.000 bad 4889 34 K ALA N 12 N3H1s 0.700 1.640 3.649 14.386 13.872 1.037 possible 4890 34 K ALA CA 4 C4H1b 0.770 1.880 3.957 17.171 13.959 1.230 possible 4891 34 K ALA C 1 C3H0s 0.770 1.610 2.139 7.875 8.858 0.889 [OK] 4892 34 K ALA O 16 O1H0u 0.660 1.420 2.344 16.732 16.026 1.044 [OK] 4893 34 K ALA CB 10 C4H3u 0.770 1.880 4.067 35.169 36.551 0.962 possible 4895 35 K HIS N 12 N3H1s 0.700 1.640 2.215 11.878 13.532 0.878 [OK] 4896 35 K HIS CA 3 C4H1s 0.770 1.880 3.282 14.921 13.335 1.119 possible 4897 35 K HIS C 1 C3H0s 0.770 1.610 2.353 8.353 8.760 0.954 [OK] 4898 35 K HIS O 16 O1H0u 0.660 1.420 2.510 14.348 15.855 0.905 [OK] 4899 35 K HIS CB 8 C4H2s 0.770 1.880 3.285 26.580 23.443 1.134 possible 4900 35 K HIS CG 2 C3H0b 0.770 1.610 3.004 10.312 9.870 1.045 possible 4901 35 K HIS ND1 13 N3H1b 0.700 1.640 2.629 14.387 15.483 0.929 [OK] 4902 35 K HIS CD2 5 C3H1s 0.770 1.760 3.167 21.795 20.938 1.041 possible 4903 35 K HIS CE1 5 C3H1s 0.770 1.760 2.798 18.436 20.491 0.900 [OK] 4904 35 K HIS NE2 13 N3H1b 0.700 1.640 2.578 12.471 15.758 0.791 [OK] 4908 36 K VAL N 12 N3H1s 0.700 1.640 2.592 12.478 13.553 0.921 [OK] 4909 36 K VAL CA 3 C4H1s 0.770 1.880 3.218 13.686 13.078 1.046 possible 4910 36 K VAL C 1 C3H0s 0.770 1.610 2.633 7.697 8.528 0.903 [OK] 4911 36 K VAL O 16 O1H0u 0.660 1.420 3.085 15.918 15.998 0.995 possible 4912 36 K VAL CB 4 C4H1b 0.770 1.880 3.858 16.034 14.514 1.105 possible 4913 36 K VAL CG1 10 C4H3u 0.770 1.880 38.862 -1.000 36.320 -1.000 bad 4914 36 K VAL CG2 10 C4H3u 0.770 1.880 25.698 -1.000 36.173 -1.000 bad 4916 37 K LEU N 12 N3H1s 0.700 1.640 2.694 13.382 13.517 0.990 [OK] 4917 37 K LEU CA 3 C4H1s 0.770 1.880 3.199 14.593 13.055 1.118 possible 4918 37 K LEU C 1 C3H0s 0.770 1.610 2.322 8.220 8.781 0.936 [OK] 4919 37 K LEU O 16 O1H0u 0.660 1.420 2.572 18.475 15.957 1.158 [OK] 4920 37 K LEU CB 8 C4H2s 0.770 1.880 3.604 25.348 22.818 1.111 possible 4921 37 K LEU CG 4 C4H1b 0.770 1.880 3.001 14.343 14.704 0.975 possible 4922 37 K LEU CD1 10 C4H3u 0.770 1.880 33.795 -1.000 37.235 -1.000 bad 4923 37 K LEU CD2 10 C4H3u 0.770 1.880 42.066 -1.000 37.020 -1.000 bad 4925 38 K VAL N 12 N3H1s 0.700 1.640 2.520 13.335 13.553 0.984 [OK] 4926 38 K VAL CA 3 C4H1s 0.770 1.880 2.849 14.440 13.078 1.104 [OK] 4927 38 K VAL C 1 C3H0s 0.770 1.610 2.567 7.721 8.528 0.905 [OK] 4928 38 K VAL O 16 O1H0u 0.660 1.420 2.524 14.882 15.998 0.930 [OK] 4929 38 K VAL CB 4 C4H1b 0.770 1.880 3.281 16.210 14.514 1.117 possible 4930 38 K VAL CG1 10 C4H3u 0.770 1.880 2.979 37.127 36.320 1.022 [OK] 4931 38 K VAL CG2 10 C4H3u 0.770 1.880 3.105 33.772 36.173 0.934 possible 4933 39 K TRP N 12 N3H1s 0.700 1.640 2.549 12.314 13.639 0.903 [OK] 4934 39 K TRP CA 3 C4H1s 0.770 1.880 2.811 14.137 13.323 1.061 [OK] 4935 39 K TRP C 1 C3H0s 0.770 1.610 2.238 7.650 8.687 0.881 [OK] 4936 39 K TRP O 16 O1H0u 0.660 1.420 5.070 22.594 15.797 1.430 possible 4937 39 K TRP CB 8 C4H2s 0.770 1.880 3.287 20.012 23.826 0.840 possible 4938 39 K TRP CG 2 C3H0b 0.770 1.610 2.375 9.120 9.915 0.920 [OK] 4939 39 K TRP CD1 5 C3H1s 0.770 1.760 6.836 44.956 20.597 2.183 possible 4940 39 K TRP CD2 2 C3H0b 0.770 1.610 2.374 9.620 10.068 0.956 [OK] 4941 39 K TRP NE1 13 N3H1b 0.700 1.640 23.714 -1.000 16.723 -1.000 bad 4942 39 K TRP CE2 2 C3H0b 0.770 1.610 3.484 10.610 9.848 1.077 possible 4943 39 K TRP CE3 6 C3H1b 0.770 1.760 2.461 16.317 20.383 0.801 [OK] 4944 39 K TRP CZ2 6 C3H1b 0.770 1.760 23.711 -1.000 20.931 -1.000 bad 4945 39 K TRP CZ3 6 C3H1b 0.770 1.760 2.848 20.001 21.429 0.933 [OK] 4946 39 K TRP CH2 6 C3H1b 0.770 1.760 6.218 -1.000 21.219 -1.000 bad 4949 40 K VAL N 12 N3H1s 0.700 1.640 2.827 12.633 13.553 0.932 [OK] 4950 40 K VAL CA 3 C4H1s 0.770 1.880 5.508 18.855 13.078 1.442 possible 4951 40 K VAL C 1 C3H0s 0.770 1.610 2.367 7.863 8.528 0.922 [OK] 4952 40 K VAL O 16 O1H0u 0.660 1.420 26.809 -1.000 15.998 -1.000 bad 4953 40 K VAL CB 4 C4H1b 0.770 1.880 3.240 14.023 14.514 0.966 possible 4954 40 K VAL CG1 10 C4H3u 0.770 1.880 29.029 -1.000 36.320 -1.000 bad 4955 40 K VAL CG2 10 C4H3u 0.770 1.880 45.478 -1.000 36.173 -1.000 bad 4957 41 K TRP N 12 N3H1s 0.700 1.640 2.528 12.351 13.639 0.906 [OK] 4958 41 K TRP CA 3 C4H1s 0.770 1.880 5.096 20.762 13.323 1.558 possible 4959 41 K TRP C 1 C3H0s 0.770 1.610 2.726 8.911 8.687 1.026 [OK] 4960 41 K TRP O 16 O1H0u 0.660 1.420 22.179 -1.000 15.797 -1.000 bad 4961 41 K TRP CB 8 C4H2s 0.770 1.880 3.577 25.987 23.826 1.091 possible 4962 41 K TRP CG 2 C3H0b 0.770 1.610 2.331 9.026 9.915 0.910 [OK] 4963 41 K TRP CD1 5 C3H1s 0.770 1.760 12.162 -1.000 20.597 -1.000 bad 4964 41 K TRP CD2 2 C3H0b 0.770 1.610 2.339 9.376 10.068 0.931 [OK] 4965 41 K TRP NE1 13 N3H1b 0.700 1.640 7.979 64.978 16.723 3.886 possible 4966 41 K TRP CE2 2 C3H0b 0.770 1.610 2.532 9.990 9.848 1.014 [OK] 4967 41 K TRP CE3 6 C3H1b 0.770 1.760 2.976 23.761 20.383 1.166 [OK] 4968 41 K TRP CZ2 6 C3H1b 0.770 1.760 4.258 32.501 20.931 1.553 possible 4969 41 K TRP CZ3 6 C3H1b 0.770 1.760 3.066 25.231 21.429 1.177 possible 4970 41 K TRP CH2 6 C3H1b 0.770 1.760 3.038 26.372 21.219 1.243 possible 4973 42 K LYS N 12 N3H1s 0.700 1.640 2.556 13.620 13.429 1.014 [OK] 4974 42 K LYS CA 3 C4H1s 0.770 1.880 4.479 15.060 13.217 1.139 possible 4975 42 K LYS C 1 C3H0s 0.770 1.610 2.446 8.762 8.696 1.008 [OK] 4976 42 K LYS O 16 O1H0u 0.660 1.420 2.538 18.255 15.818 1.154 [OK] 4977 42 K LYS CB 8 C4H2s 0.770 1.880 3.065 23.212 22.578 1.028 possible 4978 42 K LYS CG 8 C4H2s 0.770 1.880 6.417 54.004 22.847 2.364 possible 4979 42 K LYS CD 8 C4H2s 0.770 1.880 4.644 29.538 23.365 1.264 possible 4980 42 K LYS CE 9 C4H2b 0.770 1.880 3.076 26.357 23.720 1.111 possible 4981 42 K LYS NZ 14 N4H3u 0.700 1.640 27.368 -1.000 21.413 -1.000 bad 4986 43 K PRO N 11 N3H0u 0.700 1.640 2.906 8.507 8.650 0.983 [OK] 4987 43 K PRO CA 4 C4H1b 0.770 1.880 2.599 13.716 13.828 0.992 [OK] 4988 43 K PRO C 1 C3H0s 0.770 1.610 2.352 8.198 8.768 0.935 [OK] 4989 43 K PRO O 16 O1H0u 0.660 1.420 7.996 85.883 15.856 5.416 possible 4990 43 K PRO CB 9 C4H2b 0.770 1.880 4.213 26.989 25.314 1.066 possible 4991 43 K PRO CG 9 C4H2b 0.770 1.880 34.522 -1.000 25.480 -1.000 bad 4992 43 K PRO CD 8 C4H2s 0.770 1.880 16.390 -1.000 23.390 -1.000 bad 4993 44 K TRP N 12 N3H1s 0.700 1.640 2.532 13.102 13.639 0.961 [OK] 4994 44 K TRP CA 3 C4H1s 0.770 1.880 4.892 19.654 13.323 1.475 possible 4995 44 K TRP C 1 C3H0s 0.770 1.610 4.368 12.860 8.687 1.480 possible 4996 44 K TRP O 16 O1H0u 0.660 1.420 5.449 45.247 15.797 2.864 possible 4997 44 K TRP CB 8 C4H2s 0.770 1.880 5.585 37.617 23.826 1.579 possible 4998 44 K TRP CG 2 C3H0b 0.770 1.610 2.301 9.236 9.915 0.931 [OK] 4999 44 K TRP CD1 5 C3H1s 0.770 1.760 4.028 23.520 20.597 1.142 possible 5000 44 K TRP CD2 2 C3H0b 0.770 1.610 2.186 8.868 10.068 0.881 [OK] 5001 44 K TRP NE1 13 N3H1b 0.700 1.640 2.634 15.031 16.723 0.899 [OK] 5002 44 K TRP CE2 2 C3H0b 0.770 1.610 2.408 8.777 9.848 0.891 [OK] 5003 44 K TRP CE3 6 C3H1b 0.770 1.760 2.722 19.886 20.383 0.976 [OK] 5004 44 K TRP CZ2 6 C3H1b 0.770 1.760 2.670 18.852 20.931 0.901 [OK] 5005 44 K TRP CZ3 6 C3H1b 0.770 1.760 3.138 19.023 21.429 0.888 possible 5006 44 K TRP CH2 6 C3H1b 0.770 1.760 3.140 20.100 21.219 0.947 possible 5009 45 K PHE N 12 N3H1s 0.700 1.640 3.583 14.613 13.524 1.081 possible 5010 45 K PHE CA 3 C4H1s 0.770 1.880 3.460 13.963 13.371 1.044 possible 5011 45 K PHE C 1 C3H0s 0.770 1.610 4.498 14.010 8.697 1.611 possible 5012 45 K PHE O 16 O1H0u 0.660 1.420 20.669 -1.000 15.961 -1.000 bad 5013 45 K PHE CB 8 C4H2s 0.770 1.880 14.943 -1.000 23.623 -1.000 bad 5014 45 K PHE CG 2 C3H0b 0.770 1.610 0.537 -1.000 9.684 -1.000 bad 5015 45 K PHE CD1 5 C3H1s 0.770 1.760 11.216 -1.000 20.325 -1.000 bad 5016 45 K PHE CD2 6 C3H1b 0.770 1.760 8.815 -1.000 20.948 -1.000 bad 5017 45 K PHE CE1 6 C3H1b 0.770 1.760 26.833 -1.000 21.532 -1.000 bad 5018 45 K PHE CE2 6 C3H1b 0.770 1.760 8.613 -1.000 21.625 -1.000 bad 5019 45 K PHE CZ 6 C3H1b 0.770 1.760 20.416 -1.000 21.555 -1.000 bad 5020 45 K PHE OXT 16 O1H0u 0.660 1.420 37.425 -1.000 1.420 -1.000 bad 5023 57 l BCL MG l 25 DEFAULT 0.770 1.800 2.566 15.144 1.800 8.414 [OK] 5024 57 l BCL CHA 9 C4H2b 0.770 1.880 2.503 10.528 1.880 5.600 [OK] 5025 57 l BCL CHB 9 C4H2b 0.770 1.880 2.858 20.217 1.880 10.754 [OK] 5026 57 l BCL CHC 9 C4H2b 0.770 1.880 2.950 15.540 1.880 8.266 [OK] 5027 57 l BCL CHD 9 C4H2b 0.770 1.880 2.930 20.707 1.880 11.014 [OK] 5028 57 l BCL N A 14 N4H3u 0.700 1.640 2.452 10.687 1.640 6.517 [OK] 5029 57 l BCL C1A 9 C4H2b 0.770 1.880 2.581 11.136 1.880 5.924 [OK] 5030 57 l BCL C2A 9 C4H2b 0.770 1.880 2.714 13.291 1.880 7.070 [OK] 5031 57 l BCL C3A 9 C4H2b 0.770 1.880 2.681 12.787 1.880 6.802 [OK] 5032 57 l BCL C4A 9 C4H2b 0.770 1.880 2.646 10.831 1.880 5.761 [OK] 5033 57 l BCL CMA 9 C4H2b 0.770 1.880 3.259 42.920 1.880 22.830 possible 5034 57 l BCL CAA 9 C4H2b 0.770 1.880 3.148 22.840 1.880 12.149 possible 5035 57 l BCL CBA 9 C4H2b 0.770 1.880 3.261 28.553 1.880 15.188 possible 5036 57 l BCL CGA 9 C4H2b 0.770 1.880 3.248 11.838 1.880 6.297 possible 5037 57 l BCL O1A 17 O2H1u 0.660 1.460 2.645 17.965 1.460 12.305 [OK] 5038 57 l BCL O2A 17 O2H1u 0.660 1.460 2.764 17.725 1.460 12.141 [OK] 5039 57 l BCL N B 14 N4H3u 0.700 1.640 2.782 11.385 1.640 6.942 [OK] 5040 57 l BCL C1B 9 C4H2b 0.770 1.880 2.613 11.194 1.880 5.954 [OK] 5041 57 l BCL C2B 9 C4H2b 0.770 1.880 2.489 10.913 1.880 5.805 [OK] 5042 57 l BCL C3B 9 C4H2b 0.770 1.880 2.714 12.257 1.880 6.519 [OK] 5043 57 l BCL C4B 9 C4H2b 0.770 1.880 2.986 11.784 1.880 6.268 [OK] 5044 57 l BCL CMB 9 C4H2b 0.770 1.880 3.313 34.993 1.880 18.613 possible 5045 57 l BCL CAB 9 C4H2b 0.770 1.880 2.513 10.730 1.880 5.707 [OK] 5046 57 l BCL OBB 17 O2H1u 0.660 1.460 2.543 12.632 1.460 8.652 [OK] 5047 57 l BCL CBB 9 C4H2b 0.770 1.880 3.258 36.999 1.880 19.681 possible 5048 57 l BCL N C 14 N4H3u 0.700 1.640 2.640 12.689 1.640 7.737 [OK] 5049 57 l BCL C1C 9 C4H2b 0.770 1.880 2.890 11.989 1.880 6.377 [OK] 5050 57 l BCL C2C 9 C4H2b 0.770 1.880 2.661 12.685 1.880 6.748 [OK] 5051 57 l BCL C3C 9 C4H2b 0.770 1.880 3.019 13.159 1.880 7.000 possible 5052 57 l BCL C4C 9 C4H2b 0.770 1.880 2.747 10.604 1.880 5.641 [OK] 5053 57 l BCL CMC 9 C4H2b 0.770 1.880 3.210 37.268 1.880 19.823 possible 5054 57 l BCL CAC 9 C4H2b 0.770 1.880 3.207 27.713 1.880 14.741 possible 5055 57 l BCL CBC 9 C4H2b 0.770 1.880 3.128 41.303 1.880 21.970 possible 5056 57 l BCL N D 14 N4H3u 0.700 1.640 2.339 10.671 1.640 6.507 [OK] 5057 57 l BCL C1D 9 C4H2b 0.770 1.880 2.746 10.751 1.880 5.718 [OK] 5058 57 l BCL C2D 9 C4H2b 0.770 1.880 2.847 10.752 1.880 5.719 [OK] 5059 57 l BCL C3D 9 C4H2b 0.770 1.880 2.480 10.589 1.880 5.633 [OK] 5060 57 l BCL C4D 9 C4H2b 0.770 1.880 2.605 11.048 1.880 5.877 [OK] 5061 57 l BCL CMD 9 C4H2b 0.770 1.880 3.287 34.771 1.880 18.495 possible 5062 57 l BCL CAD 9 C4H2b 0.770 1.880 2.392 9.562 1.880 5.086 [OK] 5063 57 l BCL OBD 17 O2H1u 0.660 1.460 2.719 18.059 1.460 12.369 [OK] 5064 57 l BCL CBD 9 C4H2b 0.770 1.880 3.198 14.117 1.880 7.509 possible 5065 57 l BCL CGD 9 C4H2b 0.770 1.880 2.408 9.524 1.880 5.066 [OK] 5066 57 l BCL O1D 17 O2H1u 0.660 1.460 2.845 24.067 1.460 16.485 [OK] 5067 57 l BCL O2D 17 O2H1u 0.660 1.460 2.421 13.262 1.460 9.083 [OK] 5068 57 l BCL CED 9 C4H2b 0.770 1.880 4.601 49.908 1.880 26.547 possible 5069 57 l BCL C1 9 C4H2b 0.770 1.880 3.032 21.317 1.880 11.339 possible 5070 57 l BCL C2 9 C4H2b 0.770 1.880 3.158 20.337 1.880 10.817 possible 5071 57 l BCL C3 9 C4H2b 0.770 1.880 3.152 12.107 1.880 6.440 possible 5072 57 l BCL C4 9 C4H2b 0.770 1.880 3.031 34.564 1.880 18.385 possible 5073 57 l BCL C5 9 C4H2b 0.770 1.880 3.023 23.002 1.880 12.235 possible 5074 57 l BCL C6 9 C4H2b 0.770 1.880 2.930 21.035 1.880 11.189 [OK] 5075 57 l BCL C7 9 C4H2b 0.770 1.880 3.510 30.208 1.880 16.068 possible 5076 57 l BCL C8 9 C4H2b 0.770 1.880 3.531 18.027 1.880 9.589 possible 5077 57 l BCL C9 9 C4H2b 0.770 1.880 2.999 37.960 1.880 20.191 [OK] 5078 57 l BCL C10 9 C4H2b 0.770 1.880 3.116 27.193 1.880 14.464 possible 5079 57 l BCL C11 9 C4H2b 0.770 1.880 3.094 25.167 1.880 13.386 possible 5080 57 l BCL C12 9 C4H2b 0.770 1.880 3.306 24.965 1.880 13.279 possible 5081 57 l BCL C13 9 C4H2b 0.770 1.880 3.044 15.473 1.880 8.230 possible 5082 57 l BCL C14 9 C4H2b 0.770 1.880 3.120 35.965 1.880 19.130 possible 5083 57 l BCL C15 9 C4H2b 0.770 1.880 3.757 27.298 1.880 14.520 possible 5084 57 l BCL C16 9 C4H2b 0.770 1.880 2.831 22.020 1.880 11.713 [OK] 5085 57 l BCL C17 9 C4H2b 0.770 1.880 2.602 19.156 1.880 10.189 [OK] 5086 57 l BCL C18 9 C4H2b 0.770 1.880 3.809 16.508 1.880 8.781 possible 5087 57 l BCL C19 9 C4H2b 0.770 1.880 32.168 -1.000 1.880 -1.000 bad 5088 57 l BCL C20 9 C4H2b 0.770 1.880 15.348 -1.000 1.880 -1.000 bad 5089 58 l BCL MG l 25 DEFAULT 0.770 1.800 2.987 16.116 1.800 8.953 [OK] 5090 58 l BCL CHA 9 C4H2b 0.770 1.880 2.643 10.113 1.880 5.379 [OK] 5091 58 l BCL CHB 9 C4H2b 0.770 1.880 5.389 41.839 1.880 22.255 possible 5092 58 l BCL CHC 9 C4H2b 0.770 1.880 4.431 22.135 1.880 11.774 possible 5093 58 l BCL CHD 9 C4H2b 0.770 1.880 2.867 22.056 1.880 11.732 [OK] 5094 58 l BCL N A 14 N4H3u 0.700 1.640 2.627 11.927 1.640 7.272 [OK] 5095 58 l BCL C1A 9 C4H2b 0.770 1.880 2.739 10.534 1.880 5.603 [OK] 5096 58 l BCL C2A 9 C4H2b 0.770 1.880 3.412 13.645 1.880 7.258 possible 5097 58 l BCL C3A 9 C4H2b 0.770 1.880 7.953 35.198 1.880 18.722 possible 5098 58 l BCL C4A 9 C4H2b 0.770 1.880 3.490 11.893 1.880 6.326 possible 5099 58 l BCL CMA 9 C4H2b 0.770 1.880 35.303 -1.000 1.880 -1.000 bad 5100 58 l BCL CAA 9 C4H2b 0.770 1.880 3.768 25.518 1.880 13.573 possible 5101 58 l BCL CBA 9 C4H2b 0.770 1.880 6.548 62.583 1.880 33.289 possible 5102 58 l BCL CGA 9 C4H2b 0.770 1.880 5.353 13.935 1.880 7.412 possible 5103 58 l BCL O1A 17 O2H1u 0.660 1.460 6.649 48.363 1.460 33.126 possible 5104 58 l BCL O2A 17 O2H1u 0.660 1.460 3.706 21.204 1.460 14.523 possible 5105 58 l BCL N B 14 N4H3u 0.700 1.640 3.572 13.084 1.640 7.978 possible 5106 58 l BCL C1B 9 C4H2b 0.770 1.880 4.465 14.610 1.880 7.771 possible 5107 58 l BCL C2B 9 C4H2b 0.770 1.880 5.779 18.521 1.880 9.852 possible 5108 58 l BCL C3B 9 C4H2b 0.770 1.880 4.554 10.904 1.880 5.800 possible 5109 58 l BCL C4B 9 C4H2b 0.770 1.880 4.611 13.994 1.880 7.444 possible 5110 58 l BCL CMB 9 C4H2b 0.770 1.880 48.720 -1.000 1.880 -1.000 bad 5111 58 l BCL CAB 9 C4H2b 0.770 1.880 10.434 -1.000 1.880 -1.000 bad 5112 58 l BCL OBB 17 O2H1u 0.660 1.460 12.182 -1.000 1.460 -1.000 bad 5113 58 l BCL CBB 9 C4H2b 0.770 1.880 56.915 -1.000 1.880 -1.000 bad 5114 58 l BCL N C 14 N4H3u 0.700 1.640 2.900 11.408 1.640 6.956 [OK] 5115 58 l BCL C1C 9 C4H2b 0.770 1.880 3.115 10.684 1.880 5.683 possible 5116 58 l BCL C2C 9 C4H2b 0.770 1.880 8.293 -1.000 1.880 -1.000 bad 5117 58 l BCL C3C 9 C4H2b 0.770 1.880 2.845 14.160 1.880 7.532 [OK] 5118 58 l BCL C4C 9 C4H2b 0.770 1.880 2.723 10.952 1.880 5.825 [OK] 5119 58 l BCL CMC 9 C4H2b 0.770 1.880 20.808 -1.000 1.880 -1.000 bad 5120 58 l BCL CAC 9 C4H2b 0.770 1.880 11.603 -1.000 1.880 -1.000 bad 5121 58 l BCL CBC 9 C4H2b 0.770 1.880 31.505 -1.000 1.880 -1.000 bad 5122 58 l BCL N D 14 N4H3u 0.700 1.640 2.395 10.855 1.640 6.619 [OK] 5123 58 l BCL C1D 9 C4H2b 0.770 1.880 2.566 10.437 1.880 5.552 [OK] 5124 58 l BCL C2D 9 C4H2b 0.770 1.880 2.475 10.074 1.880 5.358 [OK] 5125 58 l BCL C3D 9 C4H2b 0.770 1.880 2.663 11.981 1.880 6.373 [OK] 5126 58 l BCL C4D 9 C4H2b 0.770 1.880 2.415 10.214 1.880 5.433 [OK] 5127 58 l BCL CMD 9 C4H2b 0.770 1.880 3.008 32.495 1.880 17.284 possible 5128 58 l BCL CAD 9 C4H2b 0.770 1.880 2.810 11.611 1.880 6.176 [OK] 5129 58 l BCL OBD 17 O2H1u 0.660 1.460 2.647 17.644 1.460 12.085 [OK] 5130 58 l BCL CBD 9 C4H2b 0.770 1.880 2.768 14.433 1.880 7.677 [OK] 5131 58 l BCL CGD 9 C4H2b 0.770 1.880 2.654 10.031 1.880 5.336 [OK] 5132 58 l BCL O1D 17 O2H1u 0.660 1.460 4.571 24.013 1.460 16.447 possible 5133 58 l BCL O2D 17 O2H1u 0.660 1.460 3.584 18.271 1.460 12.515 possible 5134 58 l BCL CED 9 C4H2b 0.770 1.880 32.832 -1.000 1.880 -1.000 bad 5135 58 l BCL C1 9 C4H2b 0.770 1.880 21.367 -1.000 1.880 -1.000 bad 5136 58 l BCL C2 9 C4H2b 0.770 1.880 9.679 -1.000 1.880 -1.000 bad 5137 58 l BCL C3 9 C4H2b 0.770 1.880 3.337 -1.000 1.880 -1.000 bad 5138 58 l BCL C4 9 C4H2b 0.770 1.880 23.761 -1.000 1.880 -1.000 bad 5139 58 l BCL C5 9 C4H2b 0.770 1.880 5.110 -1.000 1.880 -1.000 bad 5140 58 l BCL C6 9 C4H2b 0.770 1.880 18.813 -1.000 1.880 -1.000 bad 5141 58 l BCL C7 9 C4H2b 0.770 1.880 6.499 37.948 1.880 20.185 possible 5142 58 l BCL C8 9 C4H2b 0.770 1.880 35.661 -1.000 1.880 -1.000 bad 5143 58 l BCL C9 9 C4H2b 0.770 1.880 24.295 -1.000 1.880 -1.000 bad 5144 59 l BCL MG l 25 DEFAULT 0.770 1.800 3.794 18.760 1.800 10.422 possible 5145 59 l BCL CHA 9 C4H2b 0.770 1.880 2.903 10.788 1.880 5.738 [OK] 5146 59 l BCL CHB 9 C4H2b 0.770 1.880 4.174 31.420 1.880 16.713 possible 5147 59 l BCL CHC 9 C4H2b 0.770 1.880 4.343 19.528 1.880 10.387 possible 5148 59 l BCL CHD 9 C4H2b 0.770 1.880 2.973 22.147 1.880 11.780 [OK] 5149 59 l BCL N A 14 N4H3u 0.700 1.640 3.599 14.019 1.640 8.548 possible 5150 59 l BCL C1A 9 C4H2b 0.770 1.880 3.290 12.116 1.880 6.445 possible 5151 59 l BCL C2A 9 C4H2b 0.770 1.880 2.788 12.462 1.880 6.629 [OK] 5152 59 l BCL C3A 9 C4H2b 0.770 1.880 2.982 14.150 1.880 7.526 [OK] 5153 59 l BCL C4A 9 C4H2b 0.770 1.880 3.863 13.113 1.880 6.975 possible 5154 59 l BCL CMA 9 C4H2b 0.770 1.880 4.824 57.884 1.880 30.789 possible 5155 59 l BCL CAA 9 C4H2b 0.770 1.880 3.175 25.147 1.880 13.376 possible 5156 59 l BCL CBA 9 C4H2b 0.770 1.880 2.981 24.071 1.880 12.804 [OK] 5157 59 l BCL CGA 9 C4H2b 0.770 1.880 2.643 10.167 1.880 5.408 [OK] 5158 59 l BCL O1A 17 O2H1u 0.660 1.460 2.502 17.122 1.460 11.728 [OK] 5159 59 l BCL O2A 17 O2H1u 0.660 1.460 2.588 14.105 1.460 9.661 [OK] 5160 59 l BCL N B 14 N4H3u 0.700 1.640 3.800 14.942 1.640 9.111 possible 5161 59 l BCL C1B 9 C4H2b 0.770 1.880 4.146 15.850 1.880 8.431 possible 5162 59 l BCL C2B 9 C4H2b 0.770 1.880 4.642 14.863 1.880 7.906 possible 5163 59 l BCL C3B 9 C4H2b 0.770 1.880 4.919 21.527 1.880 11.451 possible 5164 59 l BCL C4B 9 C4H2b 0.770 1.880 4.362 15.625 1.880 8.311 possible 5165 59 l BCL CMB 9 C4H2b 0.770 1.880 40.982 -1.000 1.880 -1.000 bad 5166 59 l BCL CAB 9 C4H2b 0.770 1.880 3.876 14.951 1.880 7.953 possible 5167 59 l BCL OBB 17 O2H1u 0.660 1.460 2.548 13.582 1.460 9.303 [OK] 5168 59 l BCL CBB 9 C4H2b 0.770 1.880 36.735 -1.000 1.880 -1.000 bad 5169 59 l BCL N C 14 N4H3u 0.700 1.640 3.759 14.466 1.640 8.820 possible 5170 59 l BCL C1C 9 C4H2b 0.770 1.880 4.032 12.670 1.880 6.739 possible 5171 59 l BCL C2C 9 C4H2b 0.770 1.880 2.550 12.489 1.880 6.643 [OK] 5172 59 l BCL C3C 9 C4H2b 0.770 1.880 3.282 14.130 1.880 7.516 possible 5173 59 l BCL C4C 9 C4H2b 0.770 1.880 3.347 13.132 1.880 6.985 possible 5174 59 l BCL CMC 9 C4H2b 0.770 1.880 7.325 121.195 1.880 64.466 possible 5175 59 l BCL CAC 9 C4H2b 0.770 1.880 3.283 27.584 1.880 14.672 possible 5176 59 l BCL CBC 9 C4H2b 0.770 1.880 3.730 40.128 1.880 21.345 possible 5177 59 l BCL N D 14 N4H3u 0.700 1.640 2.813 10.692 1.640 6.520 [OK] 5178 59 l BCL C1D 9 C4H2b 0.770 1.880 2.486 9.642 1.880 5.129 [OK] 5179 59 l BCL C2D 9 C4H2b 0.770 1.880 2.727 10.156 1.880 5.402 [OK] 5180 59 l BCL C3D 9 C4H2b 0.770 1.880 2.855 11.511 1.880 6.123 [OK] 5181 59 l BCL C4D 9 C4H2b 0.770 1.880 3.013 11.434 1.880 6.082 possible 5182 59 l BCL CMD 9 C4H2b 0.770 1.880 3.274 34.341 1.880 18.267 possible 5183 59 l BCL CAD 9 C4H2b 0.770 1.880 2.715 10.195 1.880 5.423 [OK] 5184 59 l BCL OBD 17 O2H1u 0.660 1.460 2.683 17.854 1.460 12.229 [OK] 5185 59 l BCL CBD 9 C4H2b 0.770 1.880 3.156 14.617 1.880 7.775 possible 5186 59 l BCL CGD 9 C4H2b 0.770 1.880 2.394 9.717 1.880 5.168 [OK] 5187 59 l BCL O1D 17 O2H1u 0.660 1.460 2.882 19.877 1.460 13.615 [OK] 5188 59 l BCL O2D 17 O2H1u 0.660 1.460 2.731 17.162 1.460 11.755 [OK] 5189 59 l BCL CED 9 C4H2b 0.770 1.880 3.021 37.722 1.880 20.065 possible 5190 59 l BCL C1 9 C4H2b 0.770 1.880 2.969 23.453 1.880 12.475 [OK] 5191 59 l BCL C2 9 C4H2b 0.770 1.880 3.159 23.883 1.880 12.704 possible 5192 59 l BCL C3 9 C4H2b 0.770 1.880 3.078 11.677 1.880 6.211 possible 5193 59 l BCL C4 9 C4H2b 0.770 1.880 4.436 54.848 1.880 29.174 possible 5194 59 l BCL C5 9 C4H2b 0.770 1.880 2.994 20.555 1.880 10.933 [OK] 5195 59 l BCL C6 9 C4H2b 0.770 1.880 4.239 33.397 1.880 17.764 possible 5196 59 l BCL C7 9 C4H2b 0.770 1.880 3.328 24.627 1.880 13.100 possible 5197 59 l BCL C8 9 C4H2b 0.770 1.880 4.407 20.043 1.880 10.661 possible 5198 59 l BCL C9 9 C4H2b 0.770 1.880 4.959 60.510 1.880 32.186 possible 5199 59 l BCL C10 9 C4H2b 0.770 1.880 3.002 24.458 1.880 13.010 possible 5200 59 l BCL C11 9 C4H2b 0.770 1.880 2.954 20.604 1.880 10.959 [OK] 5201 59 l BCL C12 9 C4H2b 0.770 1.880 3.784 28.097 1.880 14.945 possible 5202 59 l BCL C13 9 C4H2b 0.770 1.880 3.653 17.520 1.880 9.319 possible 5203 59 l BCL C14 9 C4H2b 0.770 1.880 3.952 45.823 1.880 24.374 possible 5204 59 l BCL C15 9 C4H2b 0.770 1.880 5.262 37.765 1.880 20.088 possible 5205 59 l BCL C16 9 C4H2b 0.770 1.880 5.123 34.404 1.880 18.300 possible 5206 59 l BCL C17 9 C4H2b 0.770 1.880 7.233 48.336 1.880 25.711 possible 5207 59 l BCL C18 9 C4H2b 0.770 1.880 3.387 19.984 1.880 10.630 possible 5208 59 l BCL C19 9 C4H2b 0.770 1.880 40.046 -1.000 1.880 -1.000 bad 5209 59 l BCL C20 9 C4H2b 0.770 1.880 35.217 -1.000 1.880 -1.000 bad 5210 97 l LYC C1 9 C4H2b 0.770 1.880 5.597 56.048 1.880 29.813 possible 5211 97 l LYC C2 9 C4H2b 0.770 1.880 4.430 18.484 1.880 9.832 possible 5212 97 l LYC C3 9 C4H2b 0.770 1.880 6.097 81.523 1.880 43.364 possible 5213 97 l LYC C4 9 C4H2b 0.770 1.880 4.436 29.395 1.880 15.635 possible 5214 97 l LYC C5 9 C4H2b 0.770 1.880 4.251 33.378 1.880 17.754 possible 5215 97 l LYC C6 9 C4H2b 0.770 1.880 3.005 21.422 1.880 11.395 possible 5216 97 l LYC C7 9 C4H2b 0.770 1.880 2.864 10.967 1.880 5.834 [OK] 5217 97 l LYC C8 9 C4H2b 0.770 1.880 3.879 44.735 1.880 23.795 possible 5218 97 l LYC C9 9 C4H2b 0.770 1.880 3.150 23.212 1.880 12.347 possible 5219 97 l LYC C10 9 C4H2b 0.770 1.880 2.991 19.369 1.880 10.303 [OK] 5220 97 l LYC C11 9 C4H2b 0.770 1.880 3.170 23.489 1.880 12.494 possible 5221 97 l LYC C12 9 C4H2b 0.770 1.880 2.770 12.089 1.880 6.430 [OK] 5222 97 l LYC C13 9 C4H2b 0.770 1.880 2.974 31.209 1.880 16.601 [OK] 5223 97 l LYC C14 9 C4H2b 0.770 1.880 2.898 20.934 1.880 11.135 [OK] 5224 97 l LYC C15 9 C4H2b 0.770 1.880 2.999 20.766 1.880 11.046 [OK] 5225 97 l LYC C16 9 C4H2b 0.770 1.880 2.836 21.479 1.880 11.425 [OK] 5226 97 l LYC C17 9 C4H2b 0.770 1.880 2.618 11.392 1.880 6.060 [OK] 5227 97 l LYC C18 9 C4H2b 0.770 1.880 3.094 38.737 1.880 20.605 possible 5228 97 l LYC C19 9 C4H2b 0.770 1.880 2.770 20.170 1.880 10.729 [OK] 5229 97 l LYC C20 9 C4H2b 0.770 1.880 2.865 19.772 1.880 10.517 [OK] 5230 97 l LYC C21 9 C4H2b 0.770 1.880 3.056 20.238 1.880 10.765 possible 5231 97 l LYC C50 9 C4H2b 0.770 1.880 3.016 22.605 1.880 12.024 possible 5232 97 l LYC C51 9 C4H2b 0.770 1.880 2.960 12.975 1.880 6.902 [OK] 5233 97 l LYC C52 9 C4H2b 0.770 1.880 3.496 43.726 1.880 23.259 possible 5234 97 l LYC C53 9 C4H2b 0.770 1.880 3.047 22.160 1.880 11.787 possible 5235 97 l LYC C54 9 C4H2b 0.770 1.880 3.332 26.477 1.880 14.083 possible 5236 97 l LYC C55 9 C4H2b 0.770 1.880 2.930 22.772 1.880 12.113 [OK] 5237 97 l LYC C56 9 C4H2b 0.770 1.880 3.076 12.100 1.880 6.436 possible 5238 97 l LYC C57 9 C4H2b 0.770 1.880 6.712 89.727 1.880 47.727 possible 5239 97 l LYC C58 9 C4H2b 0.770 1.880 4.351 27.257 1.880 14.499 possible 5240 97 l LYC C59 9 C4H2b 0.770 1.880 4.516 28.211 1.880 15.006 possible 5241 97 l LYC C60 9 C4H2b 0.770 1.880 5.466 40.468 1.880 21.526 possible 5242 97 l LYC C61 9 C4H2b 0.770 1.880 7.267 19.270 1.880 10.250 possible 5243 97 l LYC C62 9 C4H2b 0.770 1.880 59.191 -1.000 1.880 -1.000 bad 5244 97 l LYC C63 9 C4H2b 0.770 1.880 26.774 -1.000 1.880 -1.000 bad 5245 97 l LYC C64 9 C4H2b 0.770 1.880 6.134 40.917 1.880 21.765 possible 5246 97 l LYC C65 9 C4H2b 0.770 1.880 14.167 -1.000 1.880 -1.000 bad 5247 97 l LYC C66 9 C4H2b 0.770 1.880 4.779 -1.000 1.880 -1.000 bad 5248 97 l LYC C67 9 C4H2b 0.770 1.880 42.440 -1.000 1.880 -1.000 bad 5249 97 l LYC C68 9 C4H2b 0.770 1.880 27.723 -1.000 1.880 -1.000 bad 5306 75 l DET N 14 N4H3u 0.700 1.640 2.109 4.674 1.640 2.850 [OK] 5307 75 l DET O 17 O2H1u 0.660 1.460 5.592 37.541 1.460 25.713 possible 5308 75 l DET CM1 9 C4H2b 0.770 1.880 54.325 -1.000 1.880 -1.000 bad 5309 75 l DET CM2 9 C4H2b 0.770 1.880 7.604 58.794 1.880 31.274 possible 5310 75 l DET C1 9 C4H2b 0.770 1.880 26.299 -1.000 1.880 -1.000 bad 5311 75 l DET C2 9 C4H2b 0.770 1.880 4.774 25.667 1.880 13.653 possible 5312 75 l DET C3 9 C4H2b 0.770 1.880 20.581 -1.000 1.880 -1.000 bad 5313 75 l DET C4 9 C4H2b 0.770 1.880 3.946 25.500 1.880 13.564 possible 5314 75 l DET C5 9 C4H2b 0.770 1.880 9.328 -1.000 1.880 -1.000 bad 5315 75 l DET C6 9 C4H2b 0.770 1.880 5.011 35.715 1.880 18.997 possible 5316 75 l DET C7 9 C4H2b 0.770 1.880 8.380 -1.000 1.880 -1.000 bad 5317 75 l DET C8 9 C4H2b 0.770 1.880 5.449 32.837 1.880 17.466 possible 5318 75 l DET C9 9 C4H2b 0.770 1.880 4.071 32.238 1.880 17.148 possible 5319 75 l DET C10 9 C4H2b 0.770 1.880 30.198 -1.000 1.880 -1.000 bad 5320 75 l DET C11 9 C4H2b 0.770 1.880 69.129 -1.000 1.880 -1.000 bad 5321 77 l DET N 14 N4H3u 0.700 1.640 2.076 4.843 1.640 2.953 [OK] 5322 77 l DET O 17 O2H1u 0.660 1.460 16.192 -1.000 1.460 -1.000 bad 5323 77 l DET CM1 9 C4H2b 0.770 1.880 4.656 55.461 1.880 29.500 possible 5324 77 l DET CM2 9 C4H2b 0.770 1.880 33.501 -1.000 1.880 -1.000 bad 5325 77 l DET C1 9 C4H2b 0.770 1.880 3.020 21.021 1.880 11.181 possible 5326 77 l DET C2 9 C4H2b 0.770 1.880 4.877 29.574 1.880 15.731 possible 5327 77 l DET C3 9 C4H2b 0.770 1.880 3.180 27.162 1.880 14.448 possible 5328 77 l DET C4 9 C4H2b 0.770 1.880 6.994 56.139 1.880 29.861 possible 5329 77 l DET C5 9 C4H2b 0.770 1.880 3.111 23.377 1.880 12.435 possible 5330 77 l DET C6 9 C4H2b 0.770 1.880 5.407 46.019 1.880 24.478 possible 5331 77 l DET C7 9 C4H2b 0.770 1.880 2.866 21.328 1.880 11.345 [OK] 5332 77 l DET C8 9 C4H2b 0.770 1.880 4.194 29.038 1.880 15.446 possible 5333 77 l DET C9 9 C4H2b 0.770 1.880 5.836 39.803 1.880 21.172 possible 5334 77 l DET C10 9 C4H2b 0.770 1.880 5.753 43.291 1.880 23.027 possible 5335 77 l DET C11 9 C4H2b 0.770 1.880 6.070 54.285 1.880 28.875 possible 5336 78 l DET N 14 N4H3u 0.700 1.640 2.166 4.789 1.640 2.920 [OK] 5337 78 l DET O 17 O2H1u 0.660 1.460 15.997 -1.000 1.460 -1.000 bad 5338 78 l DET CM1 9 C4H2b 0.770 1.880 2.782 26.124 1.880 13.896 [OK] 5339 78 l DET CM2 9 C4H2b 0.770 1.880 7.427 54.453 1.880 28.964 possible 5340 78 l DET C1 9 C4H2b 0.770 1.880 18.543 -1.000 1.880 -1.000 bad 5341 78 l DET C2 9 C4H2b 0.770 1.880 2.770 17.569 1.880 9.345 [OK] 5342 78 l DET C3 9 C4H2b 0.770 1.880 22.033 -1.000 1.880 -1.000 bad 5343 78 l DET C4 9 C4H2b 0.770 1.880 23.605 -1.000 1.880 -1.000 bad 5344 78 l DET C5 9 C4H2b 0.770 1.880 3.491 22.921 1.880 12.192 possible 5345 78 l DET C6 9 C4H2b 0.770 1.880 5.671 42.458 1.880 22.584 possible 5346 78 l DET C7 9 C4H2b 0.770 1.880 3.192 24.104 1.880 12.821 possible 5347 78 l DET C8 9 C4H2b 0.770 1.880 3.856 30.318 1.880 16.127 possible 5348 78 l DET C9 9 C4H2b 0.770 1.880 3.229 29.745 1.880 15.822 possible 5349 78 l DET C10 9 C4H2b 0.770 1.880 3.071 31.346 1.880 16.673 possible 5350 78 l DET C11 9 C4H2b 0.770 1.880 3.134 34.686 1.880 18.450 possible 5351 61 l HTO C1 9 C4H2b 0.770 1.880 4.071 27.745 1.880 14.758 possible 5352 61 l HTO O1 17 O2H1u 0.660 1.460 2.676 22.851 1.460 15.651 [OK] 5353 61 l HTO C2 9 C4H2b 0.770 1.880 3.829 18.680 1.880 9.936 possible 5354 61 l HTO O2 17 O2H1u 0.660 1.460 6.957 56.055 1.460 38.394 possible 5355 61 l HTO C3 9 C4H2b 0.770 1.880 6.058 34.350 1.880 18.271 possible 5356 61 l HTO O3 17 O2H1u 0.660 1.460 33.609 -1.000 1.460 -1.000 bad 5357 61 l HTO C4 9 C4H2b 0.770 1.880 4.611 26.949 1.880 14.335 possible 5358 61 l HTO C5 9 C4H2b 0.770 1.880 28.429 -1.000 1.880 -1.000 bad 5359 61 l HTO C6 9 C4H2b 0.770 1.880 35.754 -1.000 1.880 -1.000 bad 5360 61 l HTO C7 9 C4H2b 0.770 1.880 44.663 -1.000 1.880 -1.000 bad 5361 62 l HTO C1 9 C4H2b 0.770 1.880 4.041 27.083 1.880 14.406 possible 5362 62 l HTO O1 17 O2H1u 0.660 1.460 16.609 -1.000 1.460 -1.000 bad 5363 62 l HTO C2 9 C4H2b 0.770 1.880 2.892 13.625 1.880 7.248 [OK] 5364 62 l HTO O2 17 O2H1u 0.660 1.460 2.663 20.864 1.460 14.290 [OK] 5365 62 l HTO C3 9 C4H2b 0.770 1.880 2.590 11.749 1.880 6.250 [OK] 5366 62 l HTO O3 17 O2H1u 0.660 1.460 2.531 20.767 1.460 14.224 [OK] 5367 62 l HTO C4 9 C4H2b 0.770 1.880 2.952 23.790 1.880 12.654 [OK] 5368 62 l HTO C5 9 C4H2b 0.770 1.880 2.854 23.439 1.880 12.468 [OK] 5369 62 l HTO C6 9 C4H2b 0.770 1.880 3.179 29.036 1.880 15.445 possible 5370 62 l HTO C7 9 C4H2b 0.770 1.880 3.178 42.185 1.880 22.439 possible 5371 63 l HTO C1 9 C4H2b 0.770 1.880 3.584 24.564 1.880 13.066 possible 5372 63 l HTO O1 17 O2H1u 0.660 1.460 2.546 18.429 1.460 12.623 [OK] 5373 63 l HTO C2 9 C4H2b 0.770 1.880 3.417 14.882 1.880 7.916 possible 5374 63 l HTO O2 17 O2H1u 0.660 1.460 26.257 -1.000 1.460 -1.000 bad 5375 63 l HTO C3 9 C4H2b 0.770 1.880 2.782 14.522 1.880 7.725 [OK] 5376 63 l HTO O3 17 O2H1u 0.660 1.460 6.301 48.489 1.460 33.211 possible 5377 63 l HTO C4 9 C4H2b 0.770 1.880 3.050 20.990 1.880 11.165 possible 5378 63 l HTO C5 9 C4H2b 0.770 1.880 13.685 -1.000 1.880 -1.000 bad 5379 63 l HTO C6 9 C4H2b 0.770 1.880 30.100 -1.000 1.880 -1.000 bad 5380 63 l HTO C7 9 C4H2b 0.770 1.880 39.098 -1.000 1.880 -1.000 bad 5381 64 l HTO C1 9 C4H2b 0.770 1.880 4.385 33.081 1.880 17.596 possible 5382 64 l HTO O1 17 O2H1u 0.660 1.460 3.933 38.992 1.460 26.707 possible 5383 64 l HTO C2 9 C4H2b 0.770 1.880 2.983 13.933 1.880 7.411 [OK] 5384 64 l HTO O2 17 O2H1u 0.660 1.460 5.463 53.535 1.460 36.668 possible 5385 64 l HTO C3 9 C4H2b 0.770 1.880 5.710 24.748 1.880 13.164 possible 5386 64 l HTO O3 17 O2H1u 0.660 1.460 5.850 66.794 1.460 45.749 possible 5387 64 l HTO C4 9 C4H2b 0.770 1.880 3.117 17.907 1.880 9.525 possible 5388 64 l HTO C5 9 C4H2b 0.770 1.880 3.017 24.771 1.880 13.176 possible 5389 64 l HTO C6 9 C4H2b 0.770 1.880 5.509 35.413 1.880 18.836 possible 5390 64 l HTO C7 9 C4H2b 0.770 1.880 7.146 99.519 1.880 52.936 possible 5391 65 l HTO C1 9 C4H2b 0.770 1.880 36.867 -1.000 1.880 -1.000 bad 5392 65 l HTO O1 17 O2H1u 0.660 1.460 44.090 -1.000 1.460 -1.000 bad 5393 65 l HTO C2 9 C4H2b 0.770 1.880 17.515 -1.000 1.880 -1.000 bad 5394 65 l HTO O2 17 O2H1u 0.660 1.460 23.226 -1.000 1.460 -1.000 bad 5395 65 l HTO C3 9 C4H2b 0.770 1.880 9.084 -1.000 1.880 -1.000 bad 5396 65 l HTO O3 17 O2H1u 0.660 1.460 32.485 -1.000 1.460 -1.000 bad 5397 65 l HTO C4 9 C4H2b 0.770 1.880 17.550 -1.000 1.880 -1.000 bad 5398 65 l HTO C5 9 C4H2b 0.770 1.880 28.982 -1.000 1.880 -1.000 bad 5399 65 l HTO C6 9 C4H2b 0.770 1.880 15.391 -1.000 1.880 -1.000 bad 5400 65 l HTO C7 9 C4H2b 0.770 1.880 23.366 -1.000 1.880 -1.000 bad 5401 66 l HTO C1 9 C4H2b 0.770 1.880 16.176 -1.000 1.880 -1.000 bad 5402 66 l HTO O1 17 O2H1u 0.660 1.460 32.939 -1.000 1.460 -1.000 bad 5403 66 l HTO C2 9 C4H2b 0.770 1.880 18.356 -1.000 1.880 -1.000 bad 5404 66 l HTO O2 17 O2H1u 0.660 1.460 19.293 -1.000 1.460 -1.000 bad 5405 66 l HTO C3 9 C4H2b 0.770 1.880 16.635 -1.000 1.880 -1.000 bad 5406 66 l HTO O3 17 O2H1u 0.660 1.460 26.237 -1.000 1.460 -1.000 bad 5407 66 l HTO C4 9 C4H2b 0.770 1.880 4.320 23.931 1.880 12.729 possible 5408 66 l HTO C5 9 C4H2b 0.770 1.880 16.744 -1.000 1.880 -1.000 bad 5409 66 l HTO C6 9 C4H2b 0.770 1.880 5.337 33.413 1.880 17.773 possible 5410 66 l HTO C7 9 C4H2b 0.770 1.880 6.162 58.202 1.880 30.958 possible 5411 1 l HOH O 18 O2H2u 0.660 1.460 50.446 -1.000 1.460 -1.000 bad 5412 6 l HOH O 18 O2H2u 0.660 1.460 3.654 29.688 1.460 20.334 possible 5415 11 l HOH O 18 O2H2u 0.660 1.460 42.060 -1.000 1.460 -1.000 bad 5418 12 l HOH O 18 O2H2u 0.660 1.460 7.667 135.389 1.460 92.732 possible 5421 23 l HOH O 18 O2H2u 0.660 1.460 36.262 -1.000 1.460 -1.000 bad 5424 36 l HOH O 18 O2H2u 0.660 1.460 26.473 -1.000 1.460 -1.000 bad 5427 44 l HOH O 18 O2H2u 0.660 1.460 45.796 -1.000 1.460 -1.000 bad 5430 102 l HOH O 18 O2H2u 0.660 1.460 5.856 65.330 1.460 44.747 possible 5433 104 l HOH O 18 O2H2u 0.660 1.460 60.118 -1.000 1.460 -1.000 bad 5436 105 l HOH O 18 O2H2u 0.660 1.460 7.135 107.941 1.460 73.932 possible 5439 112 l HOH O 18 O2H2u 0.660 1.460 6.327 58.355 1.460 39.969 possible 5442 118 l HOH O 18 O2H2u 0.660 1.460 4.793 75.570 1.460 51.760 possible 5445 119 l HOH O 18 O2H2u 0.660 1.460 41.551 -1.000 1.460 -1.000 bad 5448 120 l HOH O 18 O2H2u 0.660 1.460 33.624 -1.000 1.460 -1.000 bad 5451 121 l HOH O 18 O2H2u 0.660 1.460 47.969 -1.000 1.460 -1.000 bad 5454 122 l HOH O 18 O2H2u 0.660 1.460 27.293 -1.000 1.460 -1.000 bad