NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
632899 | 6hn9 | 34313 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 3.869 1.734 -3.329 2 HA2 GLY 1 HA2 GLY 1 6.193 1.452 -3.744 3 HA3 GLY 1 HA3 GLY 1 6.072 2.616 -5.055 4 H PHE 2 H PHE 2 7.164 2.148 -1.965 5 HA PHE 2 HA PHE 2 6.646 4.538 -0.640 6 HB2 PHE 2 HB2 PHE 2 7.667 2.800 0.603 7 HB3 PHE 2 HB3 PHE 2 8.995 2.653 -0.543 8 HD1 PHE 2 HD1 PHE 2 10.812 4.280 -0.556 9 HD2 PHE 2 HD2 PHE 2 7.672 4.479 2.310 10 HE1 PHE 2 HE1 PHE 2 12.168 5.805 0.819 11 HE2 PHE 2 HE2 PHE 2 9.022 6.005 3.689 12 HZ PHE 2 HZ PHE 2 11.273 6.671 2.944 13 H TRP 3 H TRP 3 9.432 3.719 -2.703 14 HA TRP 3 HA TRP 3 10.735 6.169 -2.591 15 HB2 TRP 3 HB2 TRP 3 10.679 3.918 -4.547 16 HB3 TRP 3 HB3 TRP 3 11.436 5.429 -5.046 17 HD1 TRP 3 HD1 TRP 3 12.555 2.308 -3.900 18 HE1 TRP 3 HE1 TRP 3 14.696 2.444 -2.478 19 HE3 TRP 3 HE3 TRP 3 12.454 7.290 -2.756 20 HZ2 TRP 3 HZ2 TRP 3 16.149 4.403 -1.058 21 HZ3 TRP 3 HZ3 TRP 3 14.257 8.216 -1.360 22 HH2 TRP 3 HH2 TRP 3 16.064 6.801 -0.529 23 H SER 4 H SER 4 7.810 5.316 -4.174 24 HA SER 4 HA SER 4 7.886 7.633 -5.943 25 HB2 SER 4 HB2 SER 4 6.895 5.215 -6.428 26 HB3 SER 4 HB3 SER 4 5.456 5.916 -5.686 27 HG SER 4 HG SER 4 6.873 7.157 -7.803 28 H SER 5 H SER 5 6.228 6.467 -3.071 29 HA SER 5 HA SER 5 4.432 8.718 -2.960 30 HB2 SER 5 HB2 SER 5 4.189 7.649 -0.510 31 HB3 SER 5 HB3 SER 5 3.392 6.962 -1.926 32 HG SER 5 HG SER 5 4.560 5.246 -1.672 33 H VAL 6 H VAL 6 7.650 8.198 -2.146 34 HA VAL 6 HA VAL 6 7.774 9.907 0.163 35 HB VAL 6 HB VAL 6 9.410 8.018 -0.466 36 HG11 VAL 6 HG11 VAL 6 10.769 10.234 -1.979 37 HG12 VAL 6 HG12 VAL 6 11.246 8.539 -1.864 38 HG13 VAL 6 HG13 VAL 6 9.799 8.990 -2.767 39 HG21 VAL 6 HG21 VAL 6 10.336 8.912 1.350 40 HG22 VAL 6 HG22 VAL 6 11.311 9.917 0.277 41 HG23 VAL 6 HG23 VAL 6 9.783 10.528 0.911 42 H TRP 7 H TRP 7 8.429 10.231 -3.292 43 HA TRP 7 HA TRP 7 9.312 12.970 -3.006 44 HB2 TRP 7 HB2 TRP 7 8.711 11.398 -5.521 45 HB3 TRP 7 HB3 TRP 7 9.570 12.933 -5.431 46 HD1 TRP 7 HD1 TRP 7 10.422 9.593 -6.106 47 HE1 TRP 7 HE1 TRP 7 12.784 8.958 -5.306 48 HE3 TRP 7 HE3 TRP 7 11.244 13.455 -2.859 49 HZ2 TRP 7 HZ2 TRP 7 14.738 9.961 -3.533 50 HZ3 TRP 7 HZ3 TRP 7 13.385 13.543 -1.650 51 HH2 TRP 7 HH2 TRP 7 15.094 11.831 -1.981 52 H ASP 8 H ASP 8 6.454 11.250 -4.161 53 HA ASP 8 HA ASP 8 5.099 13.612 -5.040 54 HB2 ASP 8 HB2 ASP 8 4.525 11.494 -6.047 55 HB3 ASP 8 HB3 ASP 8 4.107 10.812 -4.478 56 H GLY 9 H GLY 9 4.935 11.565 -2.148 57 HA2 GLY 9 HA2 GLY 9 2.797 12.939 -0.910 58 HA3 GLY 9 HA3 GLY 9 3.966 11.911 -0.094 59 H ALA 10 H ALA 10 6.315 13.203 -0.416 60 HA ALA 10 HA ALA 10 6.184 15.243 1.518 61 HB1 ALA 10 HB1 ALA 10 8.164 13.814 1.098 62 HB2 ALA 10 HB2 ALA 10 8.445 14.700 -0.401 63 HB3 ALA 10 HB3 ALA 10 8.543 15.536 1.149 64 H LYS 11 H LYS 11 6.621 15.372 -2.003 65 HA LYS 11 HA LYS 11 7.059 18.076 -2.336 66 HB2 LYS 11 HB2 LYS 11 7.208 16.514 -4.187 67 HB3 LYS 11 HB3 LYS 11 5.483 16.186 -4.092 68 HG2 LYS 11 HG2 LYS 11 4.921 18.087 -5.176 69 HG3 LYS 11 HG3 LYS 11 6.265 19.005 -4.493 70 HD2 LYS 11 HD2 LYS 11 7.732 17.476 -5.997 71 HD3 LYS 11 HD3 LYS 11 6.225 17.182 -6.868 72 HE2 LYS 11 HE2 LYS 11 7.406 19.903 -6.317 73 HE3 LYS 11 HE3 LYS 11 7.567 19.022 -7.836 74 HZ1 LYS 11 HZ1 LYS 11 5.657 20.787 -7.408 75 HZ2 LYS 11 HZ2 LYS 11 4.863 19.414 -6.821 76 HZ3 LYS 11 HZ3 LYS 11 5.437 19.443 -8.412 77 H ASN 12 H ASN 12 3.966 16.373 -2.031 78 HA ASN 12 HA ASN 12 2.436 18.803 -2.263 79 HB2 ASN 12 HB2 ASN 12 1.783 16.297 -2.834 80 HB3 ASN 12 HB3 ASN 12 1.253 16.296 -1.154 81 HD21 ASN 12 HD21 ASN 12 -0.247 18.014 -0.519 82 HD22 ASN 12 HD22 ASN 12 -1.410 18.561 -1.674 83 H VAL 13 H VAL 13 3.667 16.774 0.309 84 HA VAL 13 HA VAL 13 2.122 17.804 2.428 85 HB VAL 13 HB VAL 13 4.777 16.415 2.304 86 HG11 VAL 13 HG11 VAL 13 4.569 16.345 4.864 87 HG12 VAL 13 HG12 VAL 13 5.202 17.815 4.121 88 HG13 VAL 13 HG13 VAL 13 3.529 17.757 4.677 89 HG21 VAL 13 HG21 VAL 13 3.589 14.571 2.724 90 HG22 VAL 13 HG22 VAL 13 2.681 15.351 4.019 91 HG23 VAL 13 HG23 VAL 13 2.163 15.537 2.343 92 H GLY 14 H GLY 14 5.382 18.678 1.282 93 HA2 GLY 14 HA2 GLY 14 5.750 20.778 3.154 94 HA3 GLY 14 HA3 GLY 14 6.676 20.535 1.680 95 H THR 15 H THR 15 5.062 20.926 -0.344 96 HA THR 15 HA THR 15 4.783 23.642 -0.622 97 HB THR 15 HB THR 15 4.656 21.924 -2.465 98 HG1 THR 15 HG1 THR 15 3.984 24.268 -2.564 99 HG21 THR 15 HG21 THR 15 1.728 21.847 -1.735 100 HG22 THR 15 HG22 THR 15 2.873 20.551 -1.389 101 HG23 THR 15 HG23 THR 15 2.518 20.992 -3.059 102 H ALA 16 H ALA 16 2.526 21.366 0.778 103 HA ALA 16 HA ALA 16 0.274 23.105 0.814 104 HB1 ALA 16 HB1 ALA 16 0.859 20.697 2.533 105 HB2 ALA 16 HB2 ALA 16 -0.710 21.482 2.347 106 HB3 ALA 16 HB3 ALA 16 0.043 20.677 0.970 107 H ILE 17 H ILE 17 2.707 22.223 3.249 108 HA ILE 17 HA ILE 17 1.741 23.591 5.432 109 HB ILE 17 HB ILE 17 4.632 23.318 4.601 110 HG12 ILE 17 HG12 ILE 17 3.311 21.640 6.690 111 HG13 ILE 17 HG13 ILE 17 3.014 21.261 4.997 112 HG21 ILE 17 HG21 ILE 17 3.335 24.475 6.976 113 HG22 ILE 17 HG22 ILE 17 4.671 23.371 7.297 114 HG23 ILE 17 HG23 ILE 17 4.925 24.790 6.282 115 HD11 ILE 17 HD11 ILE 17 5.758 21.566 5.148 116 HD12 ILE 17 HD12 ILE 17 5.327 20.721 6.635 117 HD13 ILE 17 HD13 ILE 17 4.864 20.048 5.072 118 H ILE 18 H ILE 18 3.680 24.853 2.751 119 HA ILE 18 HA ILE 18 3.816 27.503 3.846 120 HB ILE 18 HB ILE 18 4.444 26.477 1.076 121 HG12 ILE 18 HG12 ILE 18 6.819 27.103 2.008 122 HG13 ILE 18 HG13 ILE 18 6.038 26.923 3.574 123 HG21 ILE 18 HG21 ILE 18 5.698 28.664 0.887 124 HG22 ILE 18 HG22 ILE 18 3.939 28.771 0.822 125 HG23 ILE 18 HG23 ILE 18 4.794 29.200 2.303 126 HD11 ILE 18 HD11 ILE 18 5.812 24.761 1.531 127 HD12 ILE 18 HD12 ILE 18 7.264 24.912 2.521 128 HD13 ILE 18 HD13 ILE 18 5.696 24.662 3.288 129 H LYS 19 H LYS 19 1.753 25.800 1.586 130 HA LYS 19 HA LYS 19 0.482 27.920 0.326 131 HB2 LYS 19 HB2 LYS 19 0.054 25.109 0.638 132 HB3 LYS 19 HB3 LYS 19 -1.480 25.938 0.866 133 HG2 LYS 19 HG2 LYS 19 -1.087 25.252 -1.465 134 HG3 LYS 19 HG3 LYS 19 -1.287 26.996 -1.286 135 HD2 LYS 19 HD2 LYS 19 0.761 27.403 -2.078 136 HD3 LYS 19 HD3 LYS 19 1.488 26.176 -1.037 137 HE2 LYS 19 HE2 LYS 19 1.032 24.454 -2.602 138 HE3 LYS 19 HE3 LYS 19 -0.024 25.500 -3.550 139 HZ1 LYS 19 HZ1 LYS 19 2.748 25.114 -3.807 140 HZ2 LYS 19 HZ2 LYS 19 2.468 26.734 -3.409 141 HZ3 LYS 19 HZ3 LYS 19 1.721 26.055 -4.767 142 H ASN 20 H ASN 20 -0.028 26.573 3.528 143 HA ASN 20 HA ASN 20 -2.207 28.482 3.998 144 HB2 ASN 20 HB2 ASN 20 -1.353 25.948 5.371 145 HB3 ASN 20 HB3 ASN 20 -2.389 27.111 6.193 146 HD21 ASN 20 HD21 ASN 20 -2.137 25.492 3.045 147 HD22 ASN 20 HD22 ASN 20 -3.824 25.152 2.895 148 H ALA 21 H ALA 21 0.986 27.537 5.114 149 HA ALA 21 HA ALA 21 0.981 29.723 7.068 150 HB1 ALA 21 HB1 ALA 21 2.332 28.474 8.326 151 HB2 ALA 21 HB2 ALA 21 1.945 27.146 7.231 152 HB3 ALA 21 HB3 ALA 21 3.397 28.112 6.968 153 H LYS 22 H LYS 22 1.062 30.348 4.285 154 HA LYS 22 HA LYS 22 3.659 30.820 3.320 155 HB2 LYS 22 HB2 LYS 22 2.541 32.516 1.847 156 HB3 LYS 22 HB3 LYS 22 1.820 30.913 1.795 157 HG2 LYS 22 HG2 LYS 22 0.531 32.458 3.822 158 HG3 LYS 22 HG3 LYS 22 0.558 33.371 2.312 159 HD2 LYS 22 HD2 LYS 22 -0.233 31.140 1.246 160 HD3 LYS 22 HD3 LYS 22 -0.688 30.712 2.897 161 HE2 LYS 22 HE2 LYS 22 -1.638 33.104 1.325 162 HE3 LYS 22 HE3 LYS 22 -2.583 31.675 1.740 163 HZ1 LYS 22 HZ1 LYS 22 -3.209 33.213 3.328 164 HZ2 LYS 22 HZ2 LYS 22 -1.651 33.847 3.502 165 HZ3 LYS 22 HZ3 LYS 22 -2.022 32.327 4.144 166 H VAL 23 H VAL 23 4.915 31.676 4.995 167 HA VAL 23 HA VAL 23 4.174 34.144 6.283 168 HB VAL 23 HB VAL 23 6.944 32.997 6.349 169 HG11 VAL 23 HG11 VAL 23 7.124 34.726 7.753 170 HG12 VAL 23 HG12 VAL 23 5.374 34.930 7.864 171 HG13 VAL 23 HG13 VAL 23 6.191 33.743 8.882 172 HG21 VAL 23 HG21 VAL 23 5.832 31.805 8.482 173 HG22 VAL 23 HG22 VAL 23 4.462 31.766 7.372 174 HG23 VAL 23 HG23 VAL 23 5.992 31.021 6.910 175 H CYS 24 H CYS 24 5.690 36.019 6.288 176 HA CYS 24 HA CYS 24 5.859 37.320 3.934 177 HB2 CYS 24 HB2 CYS 24 7.931 38.502 4.962 178 HB3 CYS 24 HB3 CYS 24 6.386 38.613 5.800 179 H VAL 25 H VAL 25 8.262 35.061 5.196 180 HA VAL 25 HA VAL 25 9.537 35.055 2.538 181 HB VAL 25 HB VAL 25 10.830 35.975 4.674 182 HG11 VAL 25 HG11 VAL 25 11.908 34.429 5.980 183 HG12 VAL 25 HG12 VAL 25 10.382 33.592 5.691 184 HG13 VAL 25 HG13 VAL 25 11.814 33.165 4.755 185 HG21 VAL 25 HG21 VAL 25 12.433 36.093 3.143 186 HG22 VAL 25 HG22 VAL 25 12.735 34.361 3.286 187 HG23 VAL 25 HG23 VAL 25 11.534 34.955 2.139 188 H TYR 26 H TYR 26 11.034 32.960 2.454 189 HA TYR 26 HA TYR 26 9.502 30.776 2.022 190 HB2 TYR 26 HB2 TYR 26 12.278 30.538 3.183 191 HB3 TYR 26 HB3 TYR 26 11.479 29.434 2.070 192 HD1 TYR 26 HD1 TYR 26 13.414 32.484 2.395 193 HD2 TYR 26 HD2 TYR 26 11.149 30.095 -0.299 194 HE1 TYR 26 HE1 TYR 26 14.420 33.681 0.497 195 HE2 TYR 26 HE2 TYR 26 12.150 31.284 -2.205 196 HH TYR 26 HH TYR 26 14.327 34.028 -1.720 197 H ALA 27 H ALA 27 11.527 30.972 4.951 198 HA ALA 27 HA ALA 27 9.888 29.016 6.289 199 HB1 ALA 27 HB1 ALA 27 11.459 29.478 8.211 200 HB2 ALA 27 HB2 ALA 27 12.207 28.877 6.731 201 HB3 ALA 27 HB3 ALA 27 12.307 30.590 7.137 202 H VAL 28 H VAL 28 11.073 31.814 8.013 203 HA VAL 28 HA VAL 28 8.421 32.967 8.284 204 HB VAL 28 HB VAL 28 9.903 31.934 10.707 205 HG11 VAL 28 HG11 VAL 28 7.378 32.615 11.508 206 HG12 VAL 28 HG12 VAL 28 8.819 33.610 11.724 207 HG13 VAL 28 HG13 VAL 28 7.756 33.885 10.344 208 HG21 VAL 28 HG21 VAL 28 7.791 30.546 10.956 209 HG22 VAL 28 HG22 VAL 28 7.440 30.965 9.279 210 HG23 VAL 28 HG23 VAL 28 8.903 30.064 9.674 211 H CYS 29 H CYS 29 9.724 34.607 7.138 212 HA CYS 29 HA CYS 29 10.863 36.575 7.058 213 HB2 CYS 29 HB2 CYS 29 9.757 36.470 9.816 214 HB3 CYS 29 HB3 CYS 29 10.979 37.695 9.488 215 H VAL 30 H VAL 30 12.253 33.992 7.839 216 HA VAL 30 HA VAL 30 14.819 35.227 8.428 217 HB VAL 30 HB VAL 30 15.396 33.735 10.231 218 HG11 VAL 30 HG11 VAL 30 14.302 35.823 10.845 219 HG12 VAL 30 HG12 VAL 30 12.723 35.041 10.740 220 HG13 VAL 30 HG13 VAL 30 13.877 34.539 11.976 221 HG21 VAL 30 HG21 VAL 30 14.406 31.733 10.241 222 HG22 VAL 30 HG22 VAL 30 13.079 32.521 11.095 223 HG23 VAL 30 HG23 VAL 30 13.008 32.324 9.344 224 H SER 31 H SER 31 16.348 32.992 8.790 225 HA SER 31 HA SER 31 15.767 31.248 6.501 226 HB2 SER 31 HB2 SER 31 18.243 31.416 5.906 227 HB3 SER 31 HB3 SER 31 17.255 32.828 5.533 228 HG SER 31 HG SER 31 19.329 33.209 6.640 229 H HIS 32 H HIS 32 16.211 29.153 6.847 230 HA HIS 32 HA HIS 32 17.086 28.345 9.468 231 HB2 HIS 32 HB2 HIS 32 15.946 26.991 7.074 232 HB3 HIS 32 HB3 HIS 32 16.878 26.005 8.198 233 HD1 HIS 32 HD1 HIS 32 15.419 24.891 9.836 234 HD2 HIS 32 HD2 HIS 32 13.931 28.614 8.745 235 HE1 HIS 32 HE1 HIS 32 13.286 25.171 11.138 236 H LYS 33 H LYS 33 18.433 28.468 6.246 237 HA LYS 33 HA LYS 33 20.599 26.742 6.531 238 HB2 LYS 33 HB2 LYS 33 19.719 28.128 4.478 239 HB3 LYS 33 HB3 LYS 33 20.904 29.309 5.021 240 HG2 LYS 33 HG2 LYS 33 22.694 27.920 4.561 241 HG3 LYS 33 HG3 LYS 33 21.703 26.460 4.606 242 HD2 LYS 33 HD2 LYS 33 20.980 28.443 2.545 243 HD3 LYS 33 HD3 LYS 33 22.538 27.640 2.328 244 HE2 LYS 33 HE2 LYS 33 20.041 26.084 2.919 245 HE3 LYS 33 HE3 LYS 33 20.453 26.567 1.274 246 HZ1 LYS 33 HZ1 LYS 33 22.735 25.449 2.402 247 HZ2 LYS 33 HZ2 LYS 33 21.776 24.814 1.162 248 HZ3 LYS 33 HZ3 LYS 33 21.456 24.406 2.772 Start of MODEL 2 1 H1 GLY 1 H GLY 1 3.688 2.068 -2.616 2 HA2 GLY 1 HA2 GLY 1 6.034 1.548 -3.424 3 HA3 GLY 1 HA3 GLY 1 5.683 2.707 -4.697 4 H PHE 2 H PHE 2 7.149 2.313 -1.764 5 HA PHE 2 HA PHE 2 6.563 4.765 -0.474 6 HB2 PHE 2 HB2 PHE 2 7.517 3.049 0.861 7 HB3 PHE 2 HB3 PHE 2 8.863 2.828 -0.253 8 HD1 PHE 2 HD1 PHE 2 7.535 4.775 2.510 9 HD2 PHE 2 HD2 PHE 2 10.700 4.443 -0.317 10 HE1 PHE 2 HE1 PHE 2 8.889 6.334 3.848 11 HE2 PHE 2 HE2 PHE 2 12.059 6.000 1.017 12 HZ PHE 2 HZ PHE 2 11.155 6.948 3.103 13 H TRP 3 H TRP 3 9.349 3.755 -2.452 14 HA TRP 3 HA TRP 3 10.743 6.147 -2.451 15 HB2 TRP 3 HB2 TRP 3 10.597 3.808 -4.282 16 HB3 TRP 3 HB3 TRP 3 11.359 5.269 -4.905 17 HD1 TRP 3 HD1 TRP 3 12.520 2.230 -3.670 18 HE1 TRP 3 HE1 TRP 3 14.685 2.420 -2.291 19 HE3 TRP 3 HE3 TRP 3 12.403 7.241 -2.659 20 HZ2 TRP 3 HZ2 TRP 3 16.150 4.428 -0.952 21 HZ3 TRP 3 HZ3 TRP 3 14.224 8.217 -1.323 22 HH2 TRP 3 HH2 TRP 3 16.057 6.838 -0.488 23 H SER 4 H SER 4 7.802 5.331 -4.055 24 HA SER 4 HA SER 4 7.966 7.625 -5.851 25 HB2 SER 4 HB2 SER 4 6.950 5.217 -6.338 26 HB3 SER 4 HB3 SER 4 5.503 5.950 -5.646 27 HG SER 4 HG SER 4 5.305 7.190 -7.350 28 H SER 5 H SER 5 6.264 6.533 -2.986 29 HA SER 5 HA SER 5 4.456 8.776 -2.950 30 HB2 SER 5 HB2 SER 5 3.866 6.541 -1.999 31 HB3 SER 5 HB3 SER 5 5.066 6.806 -0.734 32 HG SER 5 HG SER 5 2.883 7.394 -0.150 33 H VAL 6 H VAL 6 7.674 8.297 -2.094 34 HA VAL 6 HA VAL 6 7.767 10.098 0.147 35 HB VAL 6 HB VAL 6 9.410 8.188 -0.359 36 HG11 VAL 6 HG11 VAL 6 9.800 9.062 -2.718 37 HG12 VAL 6 HG12 VAL 6 10.820 10.295 -1.974 38 HG13 VAL 6 HG13 VAL 6 11.227 8.587 -1.797 39 HG21 VAL 6 HG21 VAL 6 10.365 9.174 1.389 40 HG22 VAL 6 HG22 VAL 6 11.301 10.158 0.264 41 HG23 VAL 6 HG23 VAL 6 9.764 10.755 0.890 42 H TRP 7 H TRP 7 8.445 10.280 -3.310 43 HA TRP 7 HA TRP 7 9.346 13.022 -3.134 44 HB2 TRP 7 HB2 TRP 7 8.731 11.363 -5.588 45 HB3 TRP 7 HB3 TRP 7 9.612 12.888 -5.551 46 HD1 TRP 7 HD1 TRP 7 10.416 9.514 -6.105 47 HE1 TRP 7 HE1 TRP 7 12.767 8.873 -5.276 48 HE3 TRP 7 HE3 TRP 7 11.287 13.475 -2.993 49 HZ2 TRP 7 HZ2 TRP 7 14.731 9.909 -3.533 50 HZ3 TRP 7 HZ3 TRP 7 13.427 13.575 -1.782 51 HH2 TRP 7 HH2 TRP 7 15.111 11.827 -2.047 52 H ASP 8 H ASP 8 6.472 11.278 -4.206 53 HA ASP 8 HA ASP 8 5.140 13.644 -5.144 54 HB2 ASP 8 HB2 ASP 8 4.632 11.469 -6.136 55 HB3 ASP 8 HB3 ASP 8 4.075 10.869 -4.577 56 H GLY 9 H GLY 9 4.923 11.578 -2.268 57 HA2 GLY 9 HA2 GLY 9 2.764 12.953 -1.063 58 HA3 GLY 9 HA3 GLY 9 3.908 11.907 -0.234 59 H ALA 10 H ALA 10 6.273 13.188 -0.501 60 HA ALA 10 HA ALA 10 6.124 15.200 1.457 61 HB1 ALA 10 HB1 ALA 10 8.456 15.390 1.262 62 HB2 ALA 10 HB2 ALA 10 8.102 13.705 0.880 63 HB3 ALA 10 HB3 ALA 10 8.445 14.850 -0.417 64 H LYS 11 H LYS 11 6.659 15.393 -2.051 65 HA LYS 11 HA LYS 11 7.084 18.102 -2.324 66 HB2 LYS 11 HB2 LYS 11 7.295 16.581 -4.199 67 HB3 LYS 11 HB3 LYS 11 5.572 16.233 -4.155 68 HG2 LYS 11 HG2 LYS 11 6.358 19.063 -4.497 69 HG3 LYS 11 HG3 LYS 11 6.654 17.972 -5.853 70 HD2 LYS 11 HD2 LYS 11 4.171 17.227 -5.328 71 HD3 LYS 11 HD3 LYS 11 4.083 18.848 -4.635 72 HE2 LYS 11 HE2 LYS 11 3.371 18.984 -6.911 73 HE3 LYS 11 HE3 LYS 11 4.962 19.735 -6.798 74 HZ1 LYS 11 HZ1 LYS 11 5.622 18.375 -8.396 75 HZ2 LYS 11 HZ2 LYS 11 4.145 17.551 -8.391 76 HZ3 LYS 11 HZ3 LYS 11 5.391 17.058 -7.360 77 H ASN 12 H ASN 12 3.991 16.380 -2.145 78 HA ASN 12 HA ASN 12 2.450 18.799 -2.385 79 HB2 ASN 12 HB2 ASN 12 1.831 16.289 -2.983 80 HB3 ASN 12 HB3 ASN 12 1.261 16.276 -1.317 81 HD21 ASN 12 HD21 ASN 12 0.104 16.432 -4.222 82 HD22 ASN 12 HD22 ASN 12 -1.178 17.577 -4.042 83 H VAL 13 H VAL 13 3.660 16.782 0.202 84 HA VAL 13 HA VAL 13 2.050 17.805 2.288 85 HB VAL 13 HB VAL 13 4.687 16.378 2.225 86 HG11 VAL 13 HG11 VAL 13 3.399 17.728 4.573 87 HG12 VAL 13 HG12 VAL 13 4.419 16.302 4.778 88 HG13 VAL 13 HG13 VAL 13 5.085 17.768 4.057 89 HG21 VAL 13 HG21 VAL 13 2.305 15.498 3.771 90 HG22 VAL 13 HG22 VAL 13 2.242 15.390 2.012 91 HG23 VAL 13 HG23 VAL 13 3.506 14.542 2.902 92 H GLY 14 H GLY 14 5.438 18.545 1.428 93 HA2 GLY 14 HA2 GLY 14 5.767 20.648 3.253 94 HA3 GLY 14 HA3 GLY 14 6.713 20.417 1.791 95 H THR 15 H THR 15 5.016 20.818 -0.227 96 HA THR 15 HA THR 15 4.811 23.575 -0.442 97 HB THR 15 HB THR 15 4.768 21.943 -2.351 98 HG1 THR 15 HG1 THR 15 4.258 24.090 -2.780 99 HG21 THR 15 HG21 THR 15 1.833 21.737 -1.665 100 HG22 THR 15 HG22 THR 15 3.022 20.457 -1.419 101 HG23 THR 15 HG23 THR 15 2.644 21.008 -3.051 102 H ALA 16 H ALA 16 2.456 21.229 0.696 103 HA ALA 16 HA ALA 16 0.184 22.875 0.704 104 HB1 ALA 16 HB1 ALA 16 0.980 20.368 2.075 105 HB2 ALA 16 HB2 ALA 16 -0.403 21.252 2.720 106 HB3 ALA 16 HB3 ALA 16 -0.410 20.706 1.043 107 H ILE 17 H ILE 17 2.606 22.256 3.228 108 HA ILE 17 HA ILE 17 1.425 23.857 5.218 109 HB ILE 17 HB ILE 17 4.369 23.281 4.881 110 HG12 ILE 17 HG12 ILE 17 2.931 21.234 4.835 111 HG13 ILE 17 HG13 ILE 17 4.029 21.298 6.209 112 HG21 ILE 17 HG21 ILE 17 2.693 24.115 7.237 113 HG22 ILE 17 HG22 ILE 17 4.327 23.472 7.388 114 HG23 ILE 17 HG23 ILE 17 4.050 24.977 6.512 115 HD11 ILE 17 HD11 ILE 17 1.361 20.752 6.329 116 HD12 ILE 17 HD12 ILE 17 2.356 21.298 7.679 117 HD13 ILE 17 HD13 ILE 17 1.413 22.463 6.751 118 H ILE 18 H ILE 18 3.436 24.627 2.484 119 HA ILE 18 HA ILE 18 4.214 27.227 3.362 120 HB ILE 18 HB ILE 18 4.120 26.082 0.569 121 HG12 ILE 18 HG12 ILE 18 6.388 26.338 2.556 122 HG13 ILE 18 HG13 ILE 18 5.612 24.839 2.055 123 HG21 ILE 18 HG21 ILE 18 5.664 27.897 -0.012 124 HG22 ILE 18 HG22 ILE 18 4.102 28.511 0.527 125 HG23 ILE 18 HG23 ILE 18 5.490 28.556 1.614 126 HD11 ILE 18 HD11 ILE 18 6.394 25.878 -0.333 127 HD12 ILE 18 HD12 ILE 18 7.686 26.416 0.741 128 HD13 ILE 18 HD13 ILE 18 7.304 24.699 0.612 129 H LYS 19 H LYS 19 1.488 25.926 1.596 130 HA LYS 19 HA LYS 19 0.501 28.478 0.732 131 HB2 LYS 19 HB2 LYS 19 -0.850 25.776 0.861 132 HB3 LYS 19 HB3 LYS 19 -1.522 27.201 0.080 133 HG2 LYS 19 HG2 LYS 19 0.905 25.625 -0.723 134 HG3 LYS 19 HG3 LYS 19 -0.592 25.865 -1.627 135 HD2 LYS 19 HD2 LYS 19 1.433 27.998 -0.948 136 HD3 LYS 19 HD3 LYS 19 1.212 27.243 -2.528 137 HE2 LYS 19 HE2 LYS 19 -0.777 28.953 -1.041 138 HE3 LYS 19 HE3 LYS 19 0.112 29.391 -2.498 139 HZ1 LYS 19 HZ1 LYS 19 -1.174 27.039 -3.106 140 HZ2 LYS 19 HZ2 LYS 19 -1.597 28.588 -3.635 141 HZ3 LYS 19 HZ3 LYS 19 -2.320 27.942 -2.249 142 H ASN 20 H ASN 20 0.119 26.454 3.532 143 HA ASN 20 HA ASN 20 -2.164 27.971 4.505 144 HB2 ASN 20 HB2 ASN 20 -0.763 25.474 5.315 145 HB3 ASN 20 HB3 ASN 20 -1.586 26.382 6.580 146 HD21 ASN 20 HD21 ASN 20 -2.413 25.880 3.177 147 HD22 ASN 20 HD22 ASN 20 -3.948 25.146 3.478 148 H ALA 21 H ALA 21 1.276 27.657 5.061 149 HA ALA 21 HA ALA 21 1.329 29.173 7.481 150 HB1 ALA 21 HB1 ALA 21 3.751 29.182 7.188 151 HB2 ALA 21 HB2 ALA 21 3.086 27.567 6.938 152 HB3 ALA 21 HB3 ALA 21 3.562 28.550 5.553 153 H LYS 22 H LYS 22 1.510 29.929 4.077 154 HA LYS 22 HA LYS 22 2.462 32.609 4.441 155 HB2 LYS 22 HB2 LYS 22 1.292 31.117 2.101 156 HB3 LYS 22 HB3 LYS 22 1.688 32.828 2.007 157 HG2 LYS 22 HG2 LYS 22 3.673 30.700 2.767 158 HG3 LYS 22 HG3 LYS 22 3.437 31.284 1.118 159 HD2 LYS 22 HD2 LYS 22 3.885 33.315 3.233 160 HD3 LYS 22 HD3 LYS 22 5.265 32.321 2.759 161 HE2 LYS 22 HE2 LYS 22 3.559 33.665 0.696 162 HE3 LYS 22 HE3 LYS 22 4.839 34.552 1.523 163 HZ1 LYS 22 HZ1 LYS 22 5.041 32.356 -0.399 164 HZ2 LYS 22 HZ2 LYS 22 6.217 32.449 0.812 165 HZ3 LYS 22 HZ3 LYS 22 5.991 33.748 -0.246 166 H VAL 23 H VAL 23 0.542 32.590 6.200 167 HA VAL 23 HA VAL 23 -2.073 33.157 5.302 168 HB VAL 23 HB VAL 23 -2.370 34.205 7.573 169 HG11 VAL 23 HG11 VAL 23 -3.026 32.013 7.586 170 HG12 VAL 23 HG12 VAL 23 -1.439 31.419 7.094 171 HG13 VAL 23 HG13 VAL 23 -1.709 31.944 8.756 172 HG21 VAL 23 HG21 VAL 23 0.249 33.121 8.419 173 HG22 VAL 23 HG22 VAL 23 0.267 34.653 7.546 174 HG23 VAL 23 HG23 VAL 23 -0.662 34.499 9.037 175 H CYS 24 H CYS 24 -3.001 35.429 6.237 176 HA CYS 24 HA CYS 24 -1.890 37.399 4.450 177 HB2 CYS 24 HB2 CYS 24 -4.094 37.963 6.408 178 HB3 CYS 24 HB3 CYS 24 -3.850 38.622 4.794 179 H VAL 25 H VAL 25 -2.603 37.344 7.946 180 HA VAL 25 HA VAL 25 -0.661 39.514 8.317 181 HB VAL 25 HB VAL 25 -2.198 38.639 10.663 182 HG11 VAL 25 HG11 VAL 25 -0.833 40.914 9.763 183 HG12 VAL 25 HG12 VAL 25 -2.531 41.381 9.878 184 HG13 VAL 25 HG13 VAL 25 -1.702 40.713 11.284 185 HG21 VAL 25 HG21 VAL 25 -4.240 39.909 9.800 186 HG22 VAL 25 HG22 VAL 25 -3.573 39.643 8.189 187 HG23 VAL 25 HG23 VAL 25 -3.997 38.266 9.205 188 H TYR 26 H TYR 26 0.092 39.219 10.886 189 HA TYR 26 HA TYR 26 2.189 37.407 10.788 190 HB2 TYR 26 HB2 TYR 26 0.847 38.499 13.270 191 HB3 TYR 26 HB3 TYR 26 2.469 37.822 13.183 192 HD1 TYR 26 HD1 TYR 26 4.236 39.036 11.891 193 HD2 TYR 26 HD2 TYR 26 0.427 40.758 12.682 194 HE1 TYR 26 HE1 TYR 26 5.143 41.263 11.375 195 HE2 TYR 26 HE2 TYR 26 1.323 42.990 12.167 196 HH TYR 26 HH TYR 26 3.950 43.580 10.508 197 H ALA 27 H ALA 27 -0.858 37.099 12.615 198 HA ALA 27 HA ALA 27 -0.331 34.400 13.386 199 HB1 ALA 27 HB1 ALA 27 -2.757 34.450 14.089 200 HB2 ALA 27 HB2 ALA 27 -1.711 35.661 14.831 201 HB3 ALA 27 HB3 ALA 27 -2.795 36.119 13.518 202 H VAL 28 H VAL 28 -3.445 35.078 12.007 203 HA VAL 28 HA VAL 28 -2.903 33.649 9.547 204 HB VAL 28 HB VAL 28 -3.248 31.746 10.947 205 HG11 VAL 28 HG11 VAL 28 -5.797 31.856 11.982 206 HG12 VAL 28 HG12 VAL 28 -4.300 32.094 12.886 207 HG13 VAL 28 HG13 VAL 28 -5.181 33.485 12.254 208 HG21 VAL 28 HG21 VAL 28 -4.597 30.741 9.482 209 HG22 VAL 28 HG22 VAL 28 -5.981 31.722 9.966 210 HG23 VAL 28 HG23 VAL 28 -4.844 32.334 8.765 211 H CYS 29 H CYS 29 -3.587 35.689 8.700 212 HA CYS 29 HA CYS 29 -5.079 37.184 7.848 213 HB2 CYS 29 HB2 CYS 29 -6.706 34.652 7.951 214 HB3 CYS 29 HB3 CYS 29 -7.370 36.147 7.298 215 H VAL 30 H VAL 30 -4.892 36.823 10.820 216 HA VAL 30 HA VAL 30 -7.188 38.481 11.475 217 HB VAL 30 HB VAL 30 -7.852 37.178 13.414 218 HG11 VAL 30 HG11 VAL 30 -7.796 35.507 10.903 219 HG12 VAL 30 HG12 VAL 30 -8.883 35.273 12.273 220 HG13 VAL 30 HG13 VAL 30 -8.989 36.742 11.302 221 HG21 VAL 30 HG21 VAL 30 -6.741 34.661 13.045 222 HG22 VAL 30 HG22 VAL 30 -5.385 35.772 12.850 223 HG23 VAL 30 HG23 VAL 30 -6.349 35.808 14.326 224 H SER 31 H SER 31 -6.958 38.659 14.162 225 HA SER 31 HA SER 31 -4.151 39.158 14.796 226 HB2 SER 31 HB2 SER 31 -4.820 41.453 15.684 227 HB3 SER 31 HB3 SER 31 -4.742 41.291 13.930 228 HG SER 31 HG SER 31 -6.851 41.917 15.501 229 H HIS 32 H HIS 32 -4.190 37.612 16.388 230 HA HIS 32 HA HIS 32 -6.245 37.294 18.291 231 HB2 HIS 32 HB2 HIS 32 -3.341 36.472 18.297 232 HB3 HIS 32 HB3 HIS 32 -4.455 36.047 19.593 233 HD1 HIS 32 HD1 HIS 32 -3.614 33.584 18.617 234 HD2 HIS 32 HD2 HIS 32 -6.347 35.753 16.362 235 HE1 HIS 32 HE1 HIS 32 -4.683 31.915 17.070 236 H LYS 33 H LYS 33 -3.415 39.342 18.179 237 HA LYS 33 HA LYS 33 -3.323 40.064 20.903 238 HB2 LYS 33 HB2 LYS 33 -2.375 41.445 18.396 239 HB3 LYS 33 HB3 LYS 33 -2.124 42.129 19.996 240 HG2 LYS 33 HG2 LYS 33 -0.652 40.452 20.625 241 HG3 LYS 33 HG3 LYS 33 -1.229 39.343 19.378 242 HD2 LYS 33 HD2 LYS 33 0.907 40.119 18.679 243 HD3 LYS 33 HD3 LYS 33 -0.289 40.941 17.675 244 HE2 LYS 33 HE2 LYS 33 -0.001 42.970 18.783 245 HE3 LYS 33 HE3 LYS 33 0.734 42.205 20.191 246 HZ1 LYS 33 HZ1 LYS 33 2.036 42.188 17.535 247 HZ2 LYS 33 HZ2 LYS 33 2.732 41.869 19.043 248 HZ3 LYS 33 HZ3 LYS 33 2.271 43.447 18.641 Start of MODEL 3 1 H1 GLY 1 H GLY 1 3.380 2.803 -3.633 2 HA2 GLY 1 HA2 GLY 1 5.534 1.418 -3.382 3 HA3 GLY 1 HA3 GLY 1 6.070 2.377 -4.753 4 H PHE 2 H PHE 2 7.145 2.191 -2.018 5 HA PHE 2 HA PHE 2 6.507 4.589 -0.624 6 HB2 PHE 2 HB2 PHE 2 7.428 2.823 0.668 7 HB3 PHE 2 HB3 PHE 2 8.795 2.635 -0.426 8 HD1 PHE 2 HD1 PHE 2 10.637 4.246 -0.400 9 HD2 PHE 2 HD2 PHE 2 7.422 4.489 2.379 10 HE1 PHE 2 HE1 PHE 2 11.976 5.751 1.013 11 HE2 PHE 2 HE2 PHE 2 8.756 5.994 3.796 12 HZ PHE 2 HZ PHE 2 11.036 6.628 3.113 13 H TRP 3 H TRP 3 9.325 3.634 -2.584 14 HA TRP 3 HA TRP 3 10.729 6.018 -2.475 15 HB2 TRP 3 HB2 TRP 3 10.606 3.745 -4.388 16 HB3 TRP 3 HB3 TRP 3 11.387 5.222 -4.945 17 HD1 TRP 3 HD1 TRP 3 12.510 2.136 -3.794 18 HE1 TRP 3 HE1 TRP 3 14.651 2.267 -2.371 19 HE3 TRP 3 HE3 TRP 3 12.398 7.110 -2.615 20 HZ2 TRP 3 HZ2 TRP 3 16.099 4.220 -0.937 21 HZ3 TRP 3 HZ3 TRP 3 14.198 8.030 -1.213 22 HH2 TRP 3 HH2 TRP 3 16.009 6.614 -0.391 23 H SER 4 H SER 4 7.814 5.272 -4.159 24 HA SER 4 HA SER 4 8.021 7.625 -5.872 25 HB2 SER 4 HB2 SER 4 7.003 5.241 -6.460 26 HB3 SER 4 HB3 SER 4 5.547 5.957 -5.769 27 HG SER 4 HG SER 4 6.142 6.225 -8.166 28 H SER 5 H SER 5 6.263 6.446 -3.076 29 HA SER 5 HA SER 5 4.464 8.694 -2.997 30 HB2 SER 5 HB2 SER 5 3.572 6.695 -2.097 31 HB3 SER 5 HB3 SER 5 5.013 6.394 -1.125 32 HG SER 5 HG SER 5 3.920 7.355 0.388 33 H VAL 6 H VAL 6 7.664 8.168 -2.096 34 HA VAL 6 HA VAL 6 7.725 9.893 0.204 35 HB VAL 6 HB VAL 6 9.369 7.994 -0.337 36 HG11 VAL 6 HG11 VAL 6 11.214 8.434 -1.727 37 HG12 VAL 6 HG12 VAL 6 9.805 8.944 -2.659 38 HG13 VAL 6 HG13 VAL 6 10.815 10.147 -1.855 39 HG21 VAL 6 HG21 VAL 6 9.712 10.517 1.000 40 HG22 VAL 6 HG22 VAL 6 10.293 8.918 1.463 41 HG23 VAL 6 HG23 VAL 6 11.257 9.929 0.387 42 H TRP 7 H TRP 7 8.467 10.189 -3.233 43 HA TRP 7 HA TRP 7 9.374 12.919 -2.948 44 HB2 TRP 7 HB2 TRP 7 8.800 11.346 -5.467 45 HB3 TRP 7 HB3 TRP 7 9.685 12.865 -5.362 46 HD1 TRP 7 HD1 TRP 7 10.487 9.507 -6.014 47 HE1 TRP 7 HE1 TRP 7 12.820 8.829 -5.163 48 HE3 TRP 7 HE3 TRP 7 11.315 13.360 -2.757 49 HZ2 TRP 7 HZ2 TRP 7 14.755 9.799 -3.351 50 HZ3 TRP 7 HZ3 TRP 7 13.432 13.410 -1.503 51 HH2 TRP 7 HH2 TRP 7 15.115 11.666 -1.796 52 H ASP 8 H ASP 8 6.516 11.225 -4.133 53 HA ASP 8 HA ASP 8 5.205 13.594 -5.059 54 HB2 ASP 8 HB2 ASP 8 4.766 11.234 -5.877 55 HB3 ASP 8 HB3 ASP 8 3.898 10.962 -4.370 56 H GLY 9 H GLY 9 4.951 11.568 -2.156 57 HA2 GLY 9 HA2 GLY 9 2.814 12.978 -0.966 58 HA3 GLY 9 HA3 GLY 9 3.961 11.950 -0.120 59 H ALA 10 H ALA 10 6.327 13.233 -0.447 60 HA ALA 10 HA ALA 10 6.190 15.284 1.477 61 HB1 ALA 10 HB1 ALA 10 8.203 14.078 1.365 62 HB2 ALA 10 HB2 ALA 10 8.378 14.369 -0.366 63 HB3 ALA 10 HB3 ALA 10 8.602 15.693 0.778 64 H LYS 11 H LYS 11 6.648 15.391 -2.041 65 HA LYS 11 HA LYS 11 7.097 18.090 -2.389 66 HB2 LYS 11 HB2 LYS 11 5.886 15.948 -4.059 67 HB3 LYS 11 HB3 LYS 11 5.651 17.609 -4.586 68 HG2 LYS 11 HG2 LYS 11 8.356 16.457 -3.963 69 HG3 LYS 11 HG3 LYS 11 7.627 16.407 -5.570 70 HD2 LYS 11 HD2 LYS 11 7.900 18.987 -4.063 71 HD3 LYS 11 HD3 LYS 11 9.237 18.339 -5.016 72 HE2 LYS 11 HE2 LYS 11 7.423 18.147 -6.887 73 HE3 LYS 11 HE3 LYS 11 6.572 19.348 -5.915 74 HZ1 LYS 11 HZ1 LYS 11 8.069 20.944 -6.411 75 HZ2 LYS 11 HZ2 LYS 11 8.312 19.996 -7.790 76 HZ3 LYS 11 HZ3 LYS 11 9.380 19.876 -6.483 77 H ASN 12 H ASN 12 3.995 16.402 -2.087 78 HA ASN 12 HA ASN 12 2.477 18.837 -2.340 79 HB2 ASN 12 HB2 ASN 12 1.816 16.331 -2.903 80 HB3 ASN 12 HB3 ASN 12 1.278 16.339 -1.226 81 HD21 ASN 12 HD21 ASN 12 0.490 17.099 -4.392 82 HD22 ASN 12 HD22 ASN 12 -0.939 18.021 -4.088 83 H VAL 13 H VAL 13 3.675 16.807 0.250 84 HA VAL 13 HA VAL 13 2.127 17.858 2.354 85 HB VAL 13 HB VAL 13 4.775 16.453 2.251 86 HG11 VAL 13 HG11 VAL 13 5.209 17.845 4.066 87 HG12 VAL 13 HG12 VAL 13 3.529 17.828 4.605 88 HG13 VAL 13 HG13 VAL 13 4.538 16.397 4.816 89 HG21 VAL 13 HG21 VAL 13 2.485 15.531 3.884 90 HG22 VAL 13 HG22 VAL 13 2.289 15.479 2.132 91 HG23 VAL 13 HG23 VAL 13 3.619 14.609 2.896 92 H GLY 14 H GLY 14 5.350 18.750 1.142 93 HA2 GLY 14 HA2 GLY 14 5.757 20.834 3.035 94 HA3 GLY 14 HA3 GLY 14 6.660 20.598 1.546 95 H THR 15 H THR 15 5.015 20.995 -0.451 96 HA THR 15 HA THR 15 4.721 23.720 -0.693 97 HB THR 15 HB THR 15 4.628 22.054 -2.571 98 HG1 THR 15 HG1 THR 15 2.920 23.336 -3.694 99 HG21 THR 15 HG21 THR 15 2.544 21.032 -3.170 100 HG22 THR 15 HG22 THR 15 1.704 21.855 -1.856 101 HG23 THR 15 HG23 THR 15 2.893 20.604 -1.496 102 H ALA 16 H ALA 16 2.472 21.389 0.640 103 HA ALA 16 HA ALA 16 0.202 23.094 0.702 104 HB1 ALA 16 HB1 ALA 16 -0.541 21.412 2.513 105 HB2 ALA 16 HB2 ALA 16 -0.314 20.836 0.861 106 HB3 ALA 16 HB3 ALA 16 0.927 20.536 2.078 107 H ILE 17 H ILE 17 2.644 22.230 3.135 108 HA ILE 17 HA ILE 17 1.615 23.624 5.300 109 HB ILE 17 HB ILE 17 4.526 23.233 4.593 110 HG12 ILE 17 HG12 ILE 17 3.121 21.583 6.631 111 HG13 ILE 17 HG13 ILE 17 2.758 21.253 4.941 112 HG21 ILE 17 HG21 ILE 17 3.225 24.582 6.796 113 HG22 ILE 17 HG22 ILE 17 4.235 23.249 7.354 114 HG23 ILE 17 HG23 ILE 17 4.933 24.527 6.358 115 HD11 ILE 17 HD11 ILE 17 4.520 19.899 5.026 116 HD12 ILE 17 HD12 ILE 17 5.487 21.372 4.940 117 HD13 ILE 17 HD13 ILE 17 5.133 20.638 6.505 118 H ILE 18 H ILE 18 3.572 24.780 2.607 119 HA ILE 18 HA ILE 18 3.973 27.396 3.680 120 HB ILE 18 HB ILE 18 4.111 26.689 0.758 121 HG12 ILE 18 HG12 ILE 18 5.369 24.968 1.885 122 HG13 ILE 18 HG13 ILE 18 6.508 26.113 1.185 123 HG21 ILE 18 HG21 ILE 18 5.351 28.779 2.517 124 HG22 ILE 18 HG22 ILE 18 6.041 28.362 0.949 125 HG23 ILE 18 HG23 ILE 18 4.396 28.991 1.050 126 HD11 ILE 18 HD11 ILE 18 7.461 26.306 3.166 127 HD12 ILE 18 HD12 ILE 18 5.969 27.007 3.793 128 HD13 ILE 18 HD13 ILE 18 6.235 25.267 3.891 129 H LYS 19 H LYS 19 1.571 25.894 1.619 130 HA LYS 19 HA LYS 19 0.350 28.229 0.631 131 HB2 LYS 19 HB2 LYS 19 -0.658 25.425 1.075 132 HB3 LYS 19 HB3 LYS 19 -1.687 26.686 0.408 133 HG2 LYS 19 HG2 LYS 19 -0.582 26.733 -1.580 134 HG3 LYS 19 HG3 LYS 19 0.956 26.246 -0.864 135 HD2 LYS 19 HD2 LYS 19 0.578 24.124 -1.407 136 HD3 LYS 19 HD3 LYS 19 -0.958 24.142 -0.536 137 HE2 LYS 19 HE2 LYS 19 -2.056 25.089 -2.512 138 HE3 LYS 19 HE3 LYS 19 -0.521 25.057 -3.378 139 HZ1 LYS 19 HZ1 LYS 19 -2.087 22.733 -2.410 140 HZ2 LYS 19 HZ2 LYS 19 -0.506 22.608 -2.997 141 HZ3 LYS 19 HZ3 LYS 19 -1.745 23.147 -4.014 142 H ASN 20 H ASN 20 0.031 26.505 3.657 143 HA ASN 20 HA ASN 20 -2.187 28.224 4.481 144 HB2 ASN 20 HB2 ASN 20 -0.986 26.105 6.229 145 HB3 ASN 20 HB3 ASN 20 -2.648 26.683 6.164 146 HD21 ASN 20 HD21 ASN 20 -3.040 26.528 3.398 147 HD22 ASN 20 HD22 ASN 20 -3.067 24.861 2.946 148 H ALA 21 H ALA 21 1.197 27.636 5.082 149 HA ALA 21 HA ALA 21 1.397 29.128 7.493 150 HB1 ALA 21 HB1 ALA 21 3.889 29.209 6.744 151 HB2 ALA 21 HB2 ALA 21 3.162 27.670 7.208 152 HB3 ALA 21 HB3 ALA 21 3.359 28.073 5.503 153 H LYS 22 H LYS 22 1.407 29.966 4.119 154 HA LYS 22 HA LYS 22 2.548 32.573 4.465 155 HB2 LYS 22 HB2 LYS 22 1.105 31.216 2.195 156 HB3 LYS 22 HB3 LYS 22 1.592 32.904 2.107 157 HG2 LYS 22 HG2 LYS 22 3.499 30.642 2.649 158 HG3 LYS 22 HG3 LYS 22 3.171 31.294 1.042 159 HD2 LYS 22 HD2 LYS 22 4.169 32.937 3.366 160 HD3 LYS 22 HD3 LYS 22 5.214 32.227 2.133 161 HE2 LYS 22 HE2 LYS 22 3.016 34.242 1.680 162 HE3 LYS 22 HE3 LYS 22 4.750 34.553 1.614 163 HZ1 LYS 22 HZ1 LYS 22 4.739 32.744 -0.186 164 HZ2 LYS 22 HZ2 LYS 22 4.169 34.284 -0.592 165 HZ3 LYS 22 HZ3 LYS 22 3.074 33.033 -0.276 166 H VAL 23 H VAL 23 0.797 32.650 6.373 167 HA VAL 23 HA VAL 23 -1.847 33.398 5.697 168 HB VAL 23 HB VAL 23 -1.918 34.363 8.014 169 HG11 VAL 23 HG11 VAL 23 -2.680 32.225 8.081 170 HG12 VAL 23 HG12 VAL 23 -1.222 31.564 7.340 171 HG13 VAL 23 HG13 VAL 23 -1.221 32.008 9.047 172 HG21 VAL 23 HG21 VAL 23 -0.096 34.473 9.382 173 HG22 VAL 23 HG22 VAL 23 0.729 33.138 8.577 174 HG23 VAL 23 HG23 VAL 23 0.701 34.736 7.830 175 H CYS 24 H CYS 24 -2.557 35.686 6.758 176 HA CYS 24 HA CYS 24 -1.425 37.647 4.970 177 HB2 CYS 24 HB2 CYS 24 -3.470 38.312 7.056 178 HB3 CYS 24 HB3 CYS 24 -3.296 38.949 5.424 179 H VAL 25 H VAL 25 -2.003 37.568 8.491 180 HA VAL 25 HA VAL 25 0.059 39.615 8.840 181 HB VAL 25 HB VAL 25 -1.400 38.576 11.197 182 HG11 VAL 25 HG11 VAL 25 -0.696 40.504 12.050 183 HG12 VAL 25 HG12 VAL 25 0.156 40.807 10.535 184 HG13 VAL 25 HG13 VAL 25 -1.483 41.417 10.763 185 HG21 VAL 25 HG21 VAL 25 -3.306 40.205 10.539 186 HG22 VAL 25 HG22 VAL 25 -2.746 39.926 8.890 187 HG23 VAL 25 HG23 VAL 25 -3.303 38.572 9.873 188 H TYR 26 H TYR 26 1.271 39.283 11.064 189 HA TYR 26 HA TYR 26 3.150 37.297 10.732 190 HB2 TYR 26 HB2 TYR 26 2.347 38.432 13.414 191 HB3 TYR 26 HB3 TYR 26 3.922 37.798 12.951 192 HD1 TYR 26 HD1 TYR 26 5.315 39.070 11.300 193 HD2 TYR 26 HD2 TYR 26 1.765 40.690 12.996 194 HE1 TYR 26 HE1 TYR 26 6.033 41.326 10.634 195 HE2 TYR 26 HE2 TYR 26 2.473 42.950 12.334 196 HH TYR 26 HH TYR 26 5.589 43.697 11.388 197 H ALA 27 H ALA 27 0.253 37.236 12.779 198 HA ALA 27 HA ALA 27 0.740 34.575 13.724 199 HB1 ALA 27 HB1 ALA 27 -0.484 35.987 15.171 200 HB2 ALA 27 HB2 ALA 27 -1.637 36.408 13.904 201 HB3 ALA 27 HB3 ALA 27 -1.627 34.780 14.581 202 H VAL 28 H VAL 28 -2.445 35.259 12.556 203 HA VAL 28 HA VAL 28 -2.127 33.663 10.153 204 HB VAL 28 HB VAL 28 -3.943 32.747 12.387 205 HG11 VAL 28 HG11 VAL 28 -4.124 32.384 9.572 206 HG12 VAL 28 HG12 VAL 28 -3.709 30.835 10.310 207 HG13 VAL 28 HG13 VAL 28 -5.147 31.709 10.839 208 HG21 VAL 28 HG21 VAL 28 -1.412 31.590 11.237 209 HG22 VAL 28 HG22 VAL 28 -1.705 32.108 12.897 210 HG23 VAL 28 HG23 VAL 28 -2.522 30.680 12.262 211 H CYS 29 H CYS 29 -2.736 35.815 9.365 212 HA CYS 29 HA CYS 29 -4.223 37.274 8.453 213 HB2 CYS 29 HB2 CYS 29 -5.771 34.744 8.696 214 HB3 CYS 29 HB3 CYS 29 -6.677 36.214 8.348 215 H VAL 30 H VAL 30 -3.918 36.928 11.480 216 HA VAL 30 HA VAL 30 -5.963 38.870 12.169 217 HB VAL 30 HB VAL 30 -6.711 36.376 12.663 218 HG11 VAL 30 HG11 VAL 30 -6.033 35.469 14.686 219 HG12 VAL 30 HG12 VAL 30 -4.529 36.127 14.037 220 HG13 VAL 30 HG13 VAL 30 -5.413 37.007 15.285 221 HG21 VAL 30 HG21 VAL 30 -8.382 37.414 13.709 222 HG22 VAL 30 HG22 VAL 30 -7.328 37.929 15.026 223 HG23 VAL 30 HG23 VAL 30 -7.445 38.901 13.559 224 H SER 31 H SER 31 -5.666 39.425 14.638 225 HA SER 31 HA SER 31 -2.792 39.442 15.267 226 HB2 SER 31 HB2 SER 31 -3.426 41.832 16.239 227 HB3 SER 31 HB3 SER 31 -2.958 41.625 14.551 228 HG SER 31 HG SER 31 -5.587 41.809 15.599 229 H HIS 32 H HIS 32 -2.727 38.134 16.997 230 HA HIS 32 HA HIS 32 -4.792 37.896 18.918 231 HB2 HIS 32 HB2 HIS 32 -1.919 37.010 18.833 232 HB3 HIS 32 HB3 HIS 32 -2.900 36.771 20.276 233 HD1 HIS 32 HD1 HIS 32 -2.473 34.175 19.760 234 HD2 HIS 32 HD2 HIS 32 -4.884 36.204 17.052 235 HE1 HIS 32 HE1 HIS 32 -3.678 32.389 18.464 236 H LYS 33 H LYS 33 -5.378 39.672 20.026 237 HA LYS 33 HA LYS 33 -3.263 41.128 21.475 238 HB2 LYS 33 HB2 LYS 33 -4.807 43.085 21.446 239 HB3 LYS 33 HB3 LYS 33 -4.256 42.598 19.849 240 HG2 LYS 33 HG2 LYS 33 -6.382 41.431 19.482 241 HG3 LYS 33 HG3 LYS 33 -6.934 41.964 21.072 242 HD2 LYS 33 HD2 LYS 33 -6.025 43.903 18.962 243 HD3 LYS 33 HD3 LYS 33 -7.692 43.328 19.051 244 HE2 LYS 33 HE2 LYS 33 -7.985 44.263 21.215 245 HE3 LYS 33 HE3 LYS 33 -6.260 44.585 21.382 246 HZ1 LYS 33 HZ1 LYS 33 -8.207 46.294 20.402 247 HZ2 LYS 33 HZ2 LYS 33 -7.257 45.863 19.071 248 HZ3 LYS 33 HZ3 LYS 33 -6.535 46.552 20.436 Start of MODEL 4 1 H1 GLY 1 H GLY 1 3.844 3.438 -4.744 2 HA2 GLY 1 HA2 GLY 1 5.778 1.406 -3.947 3 HA3 GLY 1 HA3 GLY 1 6.256 2.458 -5.271 4 H PHE 2 H PHE 2 7.336 2.118 -2.519 5 HA PHE 2 HA PHE 2 6.686 4.404 -0.981 6 HB2 PHE 2 HB2 PHE 2 7.718 2.600 0.163 7 HB3 PHE 2 HB3 PHE 2 9.053 2.538 -0.984 8 HD1 PHE 2 HD1 PHE 2 10.833 4.216 -0.911 9 HD2 PHE 2 HD2 PHE 2 7.708 4.150 1.979 10 HE1 PHE 2 HE1 PHE 2 12.162 5.678 0.555 11 HE2 PHE 2 HE2 PHE 2 9.031 5.612 3.449 12 HZ PHE 2 HZ PHE 2 11.261 6.379 2.738 13 H TRP 3 H TRP 3 9.467 3.703 -3.092 14 HA TRP 3 HA TRP 3 10.794 6.117 -2.863 15 HB2 TRP 3 HB2 TRP 3 10.659 3.990 -4.933 16 HB3 TRP 3 HB3 TRP 3 11.349 5.535 -5.424 17 HD1 TRP 3 HD1 TRP 3 12.661 2.433 -4.564 18 HE1 TRP 3 HE1 TRP 3 14.867 2.558 -3.242 19 HE3 TRP 3 HE3 TRP 3 12.400 7.295 -3.006 20 HZ2 TRP 3 HZ2 TRP 3 16.305 4.465 -1.738 21 HZ3 TRP 3 HZ3 TRP 3 14.231 8.193 -1.629 22 HH2 TRP 3 HH2 TRP 3 16.142 6.805 -1.008 23 H SER 4 H SER 4 7.833 5.406 -4.484 24 HA SER 4 HA SER 4 7.890 7.894 -6.005 25 HB2 SER 4 HB2 SER 4 6.922 5.532 -6.743 26 HB3 SER 4 HB3 SER 4 5.477 6.137 -5.934 27 HG SER 4 HG SER 4 6.269 6.690 -8.362 28 H SER 5 H SER 5 6.259 6.422 -3.264 29 HA SER 5 HA SER 5 4.401 8.588 -2.923 30 HB2 SER 5 HB2 SER 5 3.467 7.330 -1.234 31 HB3 SER 5 HB3 SER 5 4.271 6.052 -2.144 32 HG SER 5 HG SER 5 6.051 6.296 -0.677 33 H VAL 6 H VAL 6 7.659 8.129 -2.201 34 HA VAL 6 HA VAL 6 7.761 9.686 0.213 35 HB VAL 6 HB VAL 6 9.450 7.903 -0.541 36 HG11 VAL 6 HG11 VAL 6 10.752 10.216 -1.946 37 HG12 VAL 6 HG12 VAL 6 11.200 8.509 -1.983 38 HG13 VAL 6 HG13 VAL 6 9.735 9.056 -2.800 39 HG21 VAL 6 HG21 VAL 6 9.753 10.327 0.972 40 HG22 VAL 6 HG22 VAL 6 10.427 8.727 1.279 41 HG23 VAL 6 HG23 VAL 6 11.290 9.864 0.243 42 H TRP 7 H TRP 7 8.315 10.262 -3.222 43 HA TRP 7 HA TRP 7 9.135 13.000 -2.776 44 HB2 TRP 7 HB2 TRP 7 8.493 11.592 -5.377 45 HB3 TRP 7 HB3 TRP 7 9.326 13.134 -5.200 46 HD1 TRP 7 HD1 TRP 7 10.221 9.874 -6.146 47 HE1 TRP 7 HE1 TRP 7 12.616 9.228 -5.458 48 HE3 TRP 7 HE3 TRP 7 11.061 13.495 -2.635 49 HZ2 TRP 7 HZ2 TRP 7 14.598 10.134 -3.664 50 HZ3 TRP 7 HZ3 TRP 7 13.232 13.535 -1.479 51 HH2 TRP 7 HH2 TRP 7 14.963 11.888 -1.983 52 H ASP 8 H ASP 8 6.290 11.283 -3.971 53 HA ASP 8 HA ASP 8 4.839 13.619 -4.699 54 HB2 ASP 8 HB2 ASP 8 4.370 11.327 -5.580 55 HB3 ASP 8 HB3 ASP 8 3.738 10.891 -3.995 56 H GLY 9 H GLY 9 4.874 11.555 -1.815 57 HA2 GLY 9 HA2 GLY 9 2.797 12.960 -0.466 58 HA3 GLY 9 HA3 GLY 9 3.938 11.843 0.268 59 H ALA 10 H ALA 10 6.284 13.335 -0.596 60 HA ALA 10 HA ALA 10 6.376 15.204 1.589 61 HB1 ALA 10 HB1 ALA 10 8.715 15.434 1.068 62 HB2 ALA 10 HB2 ALA 10 8.276 13.726 1.012 63 HB3 ALA 10 HB3 ALA 10 8.486 14.632 -0.487 64 H LYS 11 H LYS 11 6.897 15.477 -1.930 65 HA LYS 11 HA LYS 11 7.229 18.208 -2.109 66 HB2 LYS 11 HB2 LYS 11 6.693 18.024 -4.413 67 HB3 LYS 11 HB3 LYS 11 7.435 16.495 -3.962 68 HG2 LYS 11 HG2 LYS 11 5.675 15.695 -5.138 69 HG3 LYS 11 HG3 LYS 11 4.901 15.822 -3.557 70 HD2 LYS 11 HD2 LYS 11 3.339 17.010 -4.647 71 HD3 LYS 11 HD3 LYS 11 4.513 18.326 -4.568 72 HE2 LYS 11 HE2 LYS 11 3.731 18.137 -6.827 73 HE3 LYS 11 HE3 LYS 11 5.403 17.581 -6.767 74 HZ1 LYS 11 HZ1 LYS 11 3.380 15.534 -6.398 75 HZ2 LYS 11 HZ2 LYS 11 4.818 15.488 -7.286 76 HZ3 LYS 11 HZ3 LYS 11 3.443 16.223 -7.941 77 H ASN 12 H ASN 12 4.248 16.362 -1.827 78 HA ASN 12 HA ASN 12 2.571 18.682 -2.200 79 HB2 ASN 12 HB2 ASN 12 2.082 16.120 -2.683 80 HB3 ASN 12 HB3 ASN 12 1.527 16.149 -1.012 81 HD21 ASN 12 HD21 ASN 12 0.736 16.770 -4.214 82 HD22 ASN 12 HD22 ASN 12 -0.758 17.598 -3.951 83 H VAL 13 H VAL 13 3.868 16.820 0.469 84 HA VAL 13 HA VAL 13 2.227 17.917 2.504 85 HB VAL 13 HB VAL 13 4.708 16.306 2.417 86 HG11 VAL 13 HG11 VAL 13 3.992 18.079 4.738 87 HG12 VAL 13 HG12 VAL 13 4.962 16.616 4.921 88 HG13 VAL 13 HG13 VAL 13 5.540 17.937 3.905 89 HG21 VAL 13 HG21 VAL 13 2.453 16.063 4.370 90 HG22 VAL 13 HG22 VAL 13 2.239 15.563 2.692 91 HG23 VAL 13 HG23 VAL 13 3.480 14.802 3.686 92 H GLY 14 H GLY 14 5.406 18.802 1.215 93 HA2 GLY 14 HA2 GLY 14 5.854 20.904 3.096 94 HA3 GLY 14 HA3 GLY 14 6.746 20.635 1.606 95 H THR 15 H THR 15 4.887 20.906 -0.332 96 HA THR 15 HA THR 15 4.659 23.663 -0.648 97 HB THR 15 HB THR 15 4.568 22.002 -2.507 98 HG1 THR 15 HG1 THR 15 3.585 23.494 -3.665 99 HG21 THR 15 HG21 THR 15 1.678 21.666 -1.704 100 HG22 THR 15 HG22 THR 15 2.939 20.473 -1.392 101 HG23 THR 15 HG23 THR 15 2.508 20.888 -3.051 102 H ALA 16 H ALA 16 2.408 21.331 0.702 103 HA ALA 16 HA ALA 16 0.134 23.013 0.767 104 HB1 ALA 16 HB1 ALA 16 0.859 20.599 2.417 105 HB2 ALA 16 HB2 ALA 16 -0.714 21.396 2.462 106 HB3 ALA 16 HB3 ALA 16 -0.148 20.645 0.970 107 H ILE 17 H ILE 17 2.451 22.123 3.329 108 HA ILE 17 HA ILE 17 1.452 23.649 5.390 109 HB ILE 17 HB ILE 17 4.371 23.178 4.771 110 HG12 ILE 17 HG12 ILE 17 2.815 21.597 6.771 111 HG13 ILE 17 HG13 ILE 17 2.612 21.217 5.064 112 HG21 ILE 17 HG21 ILE 17 3.857 23.271 7.548 113 HG22 ILE 17 HG22 ILE 17 4.823 24.382 6.577 114 HG23 ILE 17 HG23 ILE 17 3.104 24.692 6.824 115 HD11 ILE 17 HD11 ILE 17 4.276 19.767 5.796 116 HD12 ILE 17 HD12 ILE 17 5.160 21.063 4.989 117 HD13 ILE 17 HD13 ILE 17 5.075 21.016 6.750 118 H ILE 18 H ILE 18 3.483 24.664 2.697 119 HA ILE 18 HA ILE 18 3.857 27.328 3.711 120 HB ILE 18 HB ILE 18 4.362 26.206 0.952 121 HG12 ILE 18 HG12 ILE 18 6.229 26.727 3.276 122 HG13 ILE 18 HG13 ILE 18 5.732 25.146 2.682 123 HG21 ILE 18 HG21 ILE 18 5.747 28.204 0.613 124 HG22 ILE 18 HG22 ILE 18 4.053 28.613 0.878 125 HG23 ILE 18 HG23 ILE 18 5.224 28.822 2.179 126 HD11 ILE 18 HD11 ILE 18 7.884 26.820 1.817 127 HD12 ILE 18 HD12 ILE 18 7.505 25.158 1.365 128 HD13 ILE 18 HD13 ILE 18 6.789 26.499 0.473 129 H LYS 19 H LYS 19 1.680 25.735 1.464 130 HA LYS 19 HA LYS 19 0.571 27.943 0.191 131 HB2 LYS 19 HB2 LYS 19 -0.347 25.182 0.799 132 HB3 LYS 19 HB3 LYS 19 -1.572 26.343 0.304 133 HG2 LYS 19 HG2 LYS 19 0.888 25.558 -1.243 134 HG3 LYS 19 HG3 LYS 19 -0.782 25.120 -1.612 135 HD2 LYS 19 HD2 LYS 19 -0.682 27.937 -1.370 136 HD3 LYS 19 HD3 LYS 19 0.676 27.450 -2.387 137 HE2 LYS 19 HE2 LYS 19 -1.354 27.900 -3.698 138 HE3 LYS 19 HE3 LYS 19 -0.823 26.225 -3.847 139 HZ1 LYS 19 HZ1 LYS 19 -2.688 26.636 -1.704 140 HZ2 LYS 19 HZ2 LYS 19 -2.704 25.485 -2.943 141 HZ3 LYS 19 HZ3 LYS 19 -3.332 27.032 -3.218 142 H ASN 20 H ASN 20 -0.003 26.654 3.392 143 HA ASN 20 HA ASN 20 -2.221 28.493 3.841 144 HB2 ASN 20 HB2 ASN 20 -1.100 26.133 5.283 145 HB3 ASN 20 HB3 ASN 20 -1.982 27.335 6.220 146 HD21 ASN 20 HD21 ASN 20 -2.383 25.878 3.007 147 HD22 ASN 20 HD22 ASN 20 -4.029 25.407 3.241 148 H ALA 21 H ALA 21 1.129 28.019 4.730 149 HA ALA 21 HA ALA 21 1.051 30.270 6.589 150 HB1 ALA 21 HB1 ALA 21 2.533 27.905 6.495 151 HB2 ALA 21 HB2 ALA 21 3.686 29.195 6.152 152 HB3 ALA 21 HB3 ALA 21 2.723 29.243 7.629 153 H LYS 22 H LYS 22 0.813 30.415 3.557 154 HA LYS 22 HA LYS 22 3.189 31.730 2.651 155 HB2 LYS 22 HB2 LYS 22 1.299 30.512 1.296 156 HB3 LYS 22 HB3 LYS 22 0.526 32.092 1.328 157 HG2 LYS 22 HG2 LYS 22 1.691 32.531 -0.513 158 HG3 LYS 22 HG3 LYS 22 3.094 32.681 0.547 159 HD2 LYS 22 HD2 LYS 22 4.031 30.998 -0.567 160 HD3 LYS 22 HD3 LYS 22 2.782 29.935 0.086 161 HE2 LYS 22 HE2 LYS 22 2.620 29.616 -2.214 162 HE3 LYS 22 HE3 LYS 22 1.341 30.780 -1.870 163 HZ1 LYS 22 HZ1 LYS 22 2.297 31.869 -3.572 164 HZ2 LYS 22 HZ2 LYS 22 3.801 31.121 -3.375 165 HZ3 LYS 22 HZ3 LYS 22 3.366 32.419 -2.382 166 H VAL 23 H VAL 23 3.230 33.200 4.581 167 HA VAL 23 HA VAL 23 1.408 35.213 5.096 168 HB VAL 23 HB VAL 23 3.250 36.494 6.068 169 HG11 VAL 23 HG11 VAL 23 3.428 33.526 6.575 170 HG12 VAL 23 HG12 VAL 23 4.085 34.776 7.633 171 HG13 VAL 23 HG13 VAL 23 2.344 34.668 7.369 172 HG21 VAL 23 HG21 VAL 23 5.565 35.453 5.933 173 HG22 VAL 23 HG22 VAL 23 4.956 34.531 4.558 174 HG23 VAL 23 HG23 VAL 23 4.991 36.293 4.493 175 H CYS 24 H CYS 24 0.798 37.036 4.110 176 HA CYS 24 HA CYS 24 1.845 37.628 1.489 177 HB2 CYS 24 HB2 CYS 24 -0.150 39.339 2.944 178 HB3 CYS 24 HB3 CYS 24 -0.005 39.038 1.216 179 H VAL 25 H VAL 25 1.763 39.213 4.654 180 HA VAL 25 HA VAL 25 3.630 41.247 3.636 181 HB VAL 25 HB VAL 25 2.570 41.662 6.334 182 HG11 VAL 25 HG11 VAL 25 2.910 43.800 5.784 183 HG12 VAL 25 HG12 VAL 25 3.704 43.175 4.337 184 HG13 VAL 25 HG13 VAL 25 2.005 43.646 4.279 185 HG21 VAL 25 HG21 VAL 25 0.327 42.391 5.471 186 HG22 VAL 25 HG22 VAL 25 0.693 41.521 3.981 187 HG23 VAL 25 HG23 VAL 25 0.580 40.646 5.508 188 H TYR 26 H TYR 26 4.778 42.120 5.938 189 HA TYR 26 HA TYR 26 6.928 40.442 6.321 190 HB2 TYR 26 HB2 TYR 26 5.812 42.447 8.293 191 HB3 TYR 26 HB3 TYR 26 7.440 41.779 8.324 192 HD1 TYR 26 HD1 TYR 26 5.315 44.341 6.997 193 HD2 TYR 26 HD2 TYR 26 8.970 42.261 6.350 194 HE1 TYR 26 HE1 TYR 26 6.080 46.155 5.522 195 HE2 TYR 26 HE2 TYR 26 9.745 44.069 4.874 196 HH TYR 26 HH TYR 26 9.347 46.212 4.223 197 H ALA 27 H ALA 27 4.103 40.816 8.458 198 HA ALA 27 HA ALA 27 4.923 38.616 10.127 199 HB1 ALA 27 HB1 ALA 27 2.660 38.997 11.189 200 HB2 ALA 27 HB2 ALA 27 3.780 40.359 11.238 201 HB3 ALA 27 HB3 ALA 27 2.462 40.343 10.067 202 H VAL 28 H VAL 28 1.589 38.848 9.168 203 HA VAL 28 HA VAL 28 1.741 36.574 7.377 204 HB VAL 28 HB VAL 28 1.668 35.350 9.417 205 HG11 VAL 28 HG11 VAL 28 0.974 36.418 11.246 206 HG12 VAL 28 HG12 VAL 28 0.029 37.573 10.303 207 HG13 VAL 28 HG13 VAL 28 -0.668 36.014 10.745 208 HG21 VAL 28 HG21 VAL 28 0.065 33.953 8.732 209 HG22 VAL 28 HG22 VAL 28 -1.206 35.147 8.994 210 HG23 VAL 28 HG23 VAL 28 -0.288 35.152 7.488 211 H CYS 29 H CYS 29 0.857 38.063 5.890 212 HA CYS 29 HA CYS 29 -0.791 39.151 4.757 213 HB2 CYS 29 HB2 CYS 29 -2.280 37.011 6.241 214 HB3 CYS 29 HB3 CYS 29 -3.167 38.187 5.276 215 H VAL 30 H VAL 30 0.010 40.078 7.508 216 HA VAL 30 HA VAL 30 -2.085 42.076 7.769 217 HB VAL 30 HB VAL 30 -2.366 41.798 10.159 218 HG11 VAL 30 HG11 VAL 30 -3.596 39.683 10.184 219 HG12 VAL 30 HG12 VAL 30 -3.889 40.581 8.694 220 HG13 VAL 30 HG13 VAL 30 -2.795 39.198 8.690 221 HG21 VAL 30 HG21 VAL 30 -0.002 40.234 9.926 222 HG22 VAL 30 HG22 VAL 30 -0.839 40.753 11.388 223 HG23 VAL 30 HG23 VAL 30 -1.270 39.225 10.621 224 H SER 31 H SER 31 -1.311 43.370 10.006 225 HA SER 31 HA SER 31 1.567 43.872 9.723 226 HB2 SER 31 HB2 SER 31 1.130 46.321 9.775 227 HB3 SER 31 HB3 SER 31 0.480 45.545 8.332 228 HG SER 31 HG SER 31 -1.372 46.329 8.902 229 H HIS 32 H HIS 32 2.149 43.110 11.694 230 HA HIS 32 HA HIS 32 0.671 43.486 14.074 231 HB2 HIS 32 HB2 HIS 32 3.408 42.520 13.396 232 HB3 HIS 32 HB3 HIS 32 3.089 42.978 15.067 233 HD1 HIS 32 HD1 HIS 32 3.281 40.547 15.891 234 HD2 HIS 32 HD2 HIS 32 0.303 41.135 13.054 235 HE1 HIS 32 HE1 HIS 32 1.890 38.452 15.931 236 H LYS 33 H LYS 33 3.158 45.355 12.479 237 HA LYS 33 HA LYS 33 3.868 47.029 14.629 238 HB2 LYS 33 HB2 LYS 33 4.011 47.326 11.640 239 HB3 LYS 33 HB3 LYS 33 4.495 48.640 12.705 240 HG2 LYS 33 HG2 LYS 33 6.498 47.593 12.329 241 HG3 LYS 33 HG3 LYS 33 5.978 46.817 13.827 242 HD2 LYS 33 HD2 LYS 33 5.292 44.863 12.690 243 HD3 LYS 33 HD3 LYS 33 5.382 45.656 11.116 244 HE2 LYS 33 HE2 LYS 33 7.307 44.347 11.180 245 HE3 LYS 33 HE3 LYS 33 7.882 45.949 11.640 246 HZ1 LYS 33 HZ1 LYS 33 8.576 45.157 13.572 247 HZ2 LYS 33 HZ2 LYS 33 8.186 43.596 13.052 248 HZ3 LYS 33 HZ3 LYS 33 7.058 44.502 13.929 Start of MODEL 5 1 H1 GLY 1 H GLY 1 3.508 1.865 -4.135 2 HA2 GLY 1 HA2 GLY 1 5.551 1.528 -3.047 3 HA3 GLY 1 HA3 GLY 1 6.078 2.398 -4.480 4 H PHE 2 H PHE 2 7.192 2.330 -1.745 5 HA PHE 2 HA PHE 2 6.645 4.784 -0.441 6 HB2 PHE 2 HB2 PHE 2 7.644 3.070 0.863 7 HB3 PHE 2 HB3 PHE 2 8.955 2.853 -0.292 8 HD1 PHE 2 HD1 PHE 2 10.781 4.478 -0.417 9 HD2 PHE 2 HD2 PHE 2 7.711 4.793 2.513 10 HE1 PHE 2 HE1 PHE 2 12.177 6.041 0.872 11 HE2 PHE 2 HE2 PHE 2 9.101 6.357 3.807 12 HZ PHE 2 HZ PHE 2 11.337 6.984 2.987 13 H TRP 3 H TRP 3 9.365 3.774 -2.507 14 HA TRP 3 HA TRP 3 10.755 6.168 -2.557 15 HB2 TRP 3 HB2 TRP 3 10.551 3.827 -4.381 16 HB3 TRP 3 HB3 TRP 3 11.297 5.287 -5.025 17 HD1 TRP 3 HD1 TRP 3 12.490 2.246 -3.824 18 HE1 TRP 3 HE1 TRP 3 14.696 2.434 -2.511 19 HE3 TRP 3 HE3 TRP 3 12.409 7.257 -2.814 20 HZ2 TRP 3 HZ2 TRP 3 16.202 4.441 -1.217 21 HZ3 TRP 3 HZ3 TRP 3 14.270 8.232 -1.532 22 HH2 TRP 3 HH2 TRP 3 16.126 6.851 -0.751 23 H SER 4 H SER 4 7.764 5.344 -4.062 24 HA SER 4 HA SER 4 7.865 7.631 -5.870 25 HB2 SER 4 HB2 SER 4 6.838 5.221 -6.316 26 HB3 SER 4 HB3 SER 4 5.413 5.954 -5.579 27 HG SER 4 HG SER 4 5.082 6.799 -7.465 28 H SER 5 H SER 5 6.259 6.547 -2.947 29 HA SER 5 HA SER 5 4.451 8.787 -2.859 30 HB2 SER 5 HB2 SER 5 3.955 6.512 -1.878 31 HB3 SER 5 HB3 SER 5 5.125 6.880 -0.611 32 HG SER 5 HG SER 5 3.681 8.075 0.325 33 H VAL 6 H VAL 6 7.696 8.315 -2.106 34 HA VAL 6 HA VAL 6 7.859 10.121 0.126 35 HB VAL 6 HB VAL 6 9.487 8.212 -0.428 36 HG11 VAL 6 HG11 VAL 6 10.837 10.315 -2.097 37 HG12 VAL 6 HG12 VAL 6 11.257 8.610 -1.925 38 HG13 VAL 6 HG13 VAL 6 9.799 9.077 -2.801 39 HG21 VAL 6 HG21 VAL 6 10.499 9.204 1.285 40 HG22 VAL 6 HG22 VAL 6 11.395 10.187 0.126 41 HG23 VAL 6 HG23 VAL 6 9.879 10.783 0.801 42 H TRP 7 H TRP 7 8.428 10.294 -3.353 43 HA TRP 7 HA TRP 7 9.329 13.039 -3.212 44 HB2 TRP 7 HB2 TRP 7 8.641 11.370 -5.640 45 HB3 TRP 7 HB3 TRP 7 9.518 12.897 -5.636 46 HD1 TRP 7 HD1 TRP 7 10.313 9.523 -6.203 47 HE1 TRP 7 HE1 TRP 7 12.691 8.891 -5.447 48 HE3 TRP 7 HE3 TRP 7 11.273 13.499 -3.137 49 HZ2 TRP 7 HZ2 TRP 7 14.707 9.940 -3.772 50 HZ3 TRP 7 HZ3 TRP 7 13.449 13.610 -1.995 51 HH2 TRP 7 HH2 TRP 7 15.129 11.866 -2.307 52 H ASP 8 H ASP 8 6.426 11.287 -4.192 53 HA ASP 8 HA ASP 8 5.061 13.649 -5.091 54 HB2 ASP 8 HB2 ASP 8 4.608 11.344 -5.973 55 HB3 ASP 8 HB3 ASP 8 3.875 10.950 -4.420 56 H GLY 9 H GLY 9 4.943 11.590 -2.205 57 HA2 GLY 9 HA2 GLY 9 2.814 12.948 -0.935 58 HA3 GLY 9 HA3 GLY 9 4.000 11.925 -0.138 59 H ALA 10 H ALA 10 6.336 13.232 -0.487 60 HA ALA 10 HA ALA 10 6.218 15.265 1.455 61 HB1 ALA 10 HB1 ALA 10 8.442 14.670 -0.495 62 HB2 ALA 10 HB2 ALA 10 8.581 15.609 0.992 63 HB3 ALA 10 HB3 ALA 10 8.208 13.888 1.069 64 H LYS 11 H LYS 11 6.627 15.411 -2.070 65 HA LYS 11 HA LYS 11 7.037 18.118 -2.398 66 HB2 LYS 11 HB2 LYS 11 7.196 16.613 -4.270 67 HB3 LYS 11 HB3 LYS 11 5.495 16.187 -4.135 68 HG2 LYS 11 HG2 LYS 11 5.775 17.678 -5.983 69 HG3 LYS 11 HG3 LYS 11 4.911 18.527 -4.699 70 HD2 LYS 11 HD2 LYS 11 7.060 19.546 -3.995 71 HD3 LYS 11 HD3 LYS 11 7.842 18.773 -5.376 72 HE2 LYS 11 HE2 LYS 11 5.503 20.658 -5.614 73 HE3 LYS 11 HE3 LYS 11 7.186 21.172 -5.721 74 HZ1 LYS 11 HZ1 LYS 11 6.722 20.830 -7.908 75 HZ2 LYS 11 HZ2 LYS 11 5.599 19.600 -7.613 76 HZ3 LYS 11 HZ3 LYS 11 7.256 19.275 -7.509 77 H ASN 12 H ASN 12 3.961 16.390 -2.061 78 HA ASN 12 HA ASN 12 2.409 18.809 -2.274 79 HB2 ASN 12 HB2 ASN 12 1.770 16.299 -2.844 80 HB3 ASN 12 HB3 ASN 12 1.259 16.289 -1.159 81 HD21 ASN 12 HD21 ASN 12 0.801 17.827 -4.273 82 HD22 ASN 12 HD22 ASN 12 -0.785 18.433 -3.952 83 H VAL 13 H VAL 13 3.681 16.783 0.281 84 HA VAL 13 HA VAL 13 2.151 17.799 2.417 85 HB VAL 13 HB VAL 13 4.811 16.423 2.263 86 HG11 VAL 13 HG11 VAL 13 4.620 16.349 4.830 87 HG12 VAL 13 HG12 VAL 13 5.259 17.813 4.078 88 HG13 VAL 13 HG13 VAL 13 3.589 17.768 4.646 89 HG21 VAL 13 HG21 VAL 13 2.617 15.431 3.957 90 HG22 VAL 13 HG22 VAL 13 2.287 15.462 2.225 91 HG23 VAL 13 HG23 VAL 13 3.673 14.564 2.842 92 H GLY 14 H GLY 14 5.313 18.761 1.115 93 HA2 GLY 14 HA2 GLY 14 5.745 20.826 3.030 94 HA3 GLY 14 HA3 GLY 14 6.617 20.614 1.519 95 H THR 15 H THR 15 4.885 20.987 -0.427 96 HA THR 15 HA THR 15 4.554 23.720 -0.634 97 HB THR 15 HB THR 15 4.465 22.079 -2.533 98 HG1 THR 15 HG1 THR 15 3.640 24.382 -2.525 99 HG21 THR 15 HG21 THR 15 2.769 20.586 -1.431 100 HG22 THR 15 HG22 THR 15 2.409 21.004 -3.106 101 HG23 THR 15 HG23 THR 15 1.554 21.811 -1.793 102 H ALA 16 H ALA 16 2.378 21.327 0.709 103 HA ALA 16 HA ALA 16 0.059 22.945 0.814 104 HB1 ALA 16 HB1 ALA 16 -0.520 21.270 2.725 105 HB2 ALA 16 HB2 ALA 16 -0.414 20.704 1.058 106 HB3 ALA 16 HB3 ALA 16 0.928 20.431 2.168 107 H ILE 17 H ILE 17 2.249 21.976 3.464 108 HA ILE 17 HA ILE 17 1.237 23.639 5.425 109 HB ILE 17 HB ILE 17 4.137 22.873 5.067 110 HG12 ILE 17 HG12 ILE 17 2.516 20.959 5.061 111 HG13 ILE 17 HG13 ILE 17 3.660 20.928 6.399 112 HG21 ILE 17 HG21 ILE 17 2.592 23.762 7.498 113 HG22 ILE 17 HG22 ILE 17 4.239 23.133 7.523 114 HG23 ILE 17 HG23 ILE 17 3.885 24.645 6.686 115 HD11 ILE 17 HD11 ILE 17 1.232 20.370 6.902 116 HD12 ILE 17 HD12 ILE 17 2.029 21.543 7.951 117 HD13 ILE 17 HD13 ILE 17 0.917 22.093 6.698 118 H ILE 18 H ILE 18 3.505 24.371 2.845 119 HA ILE 18 HA ILE 18 4.219 26.956 3.834 120 HB ILE 18 HB ILE 18 4.507 25.737 1.088 121 HG12 ILE 18 HG12 ILE 18 6.508 26.221 3.306 122 HG13 ILE 18 HG13 ILE 18 5.839 24.659 2.849 123 HG21 ILE 18 HG21 ILE 18 4.409 28.135 0.858 124 HG22 ILE 18 HG22 ILE 18 5.578 28.341 2.162 125 HG23 ILE 18 HG23 ILE 18 6.075 27.597 0.642 126 HD11 ILE 18 HD11 ILE 18 7.852 26.343 1.454 127 HD12 ILE 18 HD12 ILE 18 7.858 24.610 1.783 128 HD13 ILE 18 HD13 ILE 18 6.829 25.262 0.508 129 H LYS 19 H LYS 19 1.838 25.727 1.545 130 HA LYS 19 HA LYS 19 0.999 28.232 0.541 131 HB2 LYS 19 HB2 LYS 19 0.184 25.459 0.316 132 HB3 LYS 19 HB3 LYS 19 -1.211 26.525 0.415 133 HG2 LYS 19 HG2 LYS 19 -0.630 26.172 -1.889 134 HG3 LYS 19 HG3 LYS 19 -0.295 27.849 -1.452 135 HD2 LYS 19 HD2 LYS 19 2.077 26.553 -0.892 136 HD3 LYS 19 HD3 LYS 19 1.514 25.758 -2.364 137 HE2 LYS 19 HE2 LYS 19 1.901 28.721 -1.951 138 HE3 LYS 19 HE3 LYS 19 2.917 27.655 -2.921 139 HZ1 LYS 19 HZ1 LYS 19 0.110 28.447 -3.450 140 HZ2 LYS 19 HZ2 LYS 19 0.887 27.196 -4.282 141 HZ3 LYS 19 HZ3 LYS 19 1.473 28.779 -4.395 142 H ASN 20 H ASN 20 0.135 26.380 3.378 143 HA ASN 20 HA ASN 20 -2.142 28.039 4.012 144 HB2 ASN 20 HB2 ASN 20 -0.815 25.664 5.229 145 HB3 ASN 20 HB3 ASN 20 -1.780 26.691 6.285 146 HD21 ASN 20 HD21 ASN 20 -2.239 25.828 2.888 147 HD22 ASN 20 HD22 ASN 20 -3.785 25.087 3.104 148 H ALA 21 H ALA 21 1.245 27.925 4.764 149 HA ALA 21 HA ALA 21 1.217 30.536 5.878 150 HB1 ALA 21 HB1 ALA 21 2.328 29.213 8.068 151 HB2 ALA 21 HB2 ALA 21 0.796 30.084 8.012 152 HB3 ALA 21 HB3 ALA 21 0.833 28.347 7.711 153 H LYS 22 H LYS 22 2.777 30.666 4.175 154 HA LYS 22 HA LYS 22 5.066 29.148 3.881 155 HB2 LYS 22 HB2 LYS 22 4.937 32.135 3.455 156 HB3 LYS 22 HB3 LYS 22 5.996 30.987 2.646 157 HG2 LYS 22 HG2 LYS 22 4.040 29.955 1.581 158 HG3 LYS 22 HG3 LYS 22 3.001 31.147 2.365 159 HD2 LYS 22 HD2 LYS 22 5.242 31.781 0.444 160 HD3 LYS 22 HD3 LYS 22 3.527 31.742 0.030 161 HE2 LYS 22 HE2 LYS 22 3.135 33.504 1.737 162 HE3 LYS 22 HE3 LYS 22 4.877 33.592 1.992 163 HZ1 LYS 22 HZ1 LYS 22 5.190 34.702 0.079 164 HZ2 LYS 22 HZ2 LYS 22 3.563 35.127 0.264 165 HZ3 LYS 22 HZ3 LYS 22 3.993 33.850 -0.760 166 H VAL 23 H VAL 23 6.051 28.571 5.792 167 HA VAL 23 HA VAL 23 6.718 30.351 7.875 168 HB VAL 23 HB VAL 23 8.340 28.554 8.573 169 HG11 VAL 23 HG11 VAL 23 6.221 28.452 9.561 170 HG12 VAL 23 HG12 VAL 23 5.443 27.967 8.053 171 HG13 VAL 23 HG13 VAL 23 6.480 26.831 8.917 172 HG21 VAL 23 HG21 VAL 23 8.404 27.827 5.999 173 HG22 VAL 23 HG22 VAL 23 8.767 26.714 7.318 174 HG23 VAL 23 HG23 VAL 23 7.166 26.712 6.579 175 H CYS 24 H CYS 24 9.256 30.239 8.544 176 HA CYS 24 HA CYS 24 10.541 31.936 6.601 177 HB2 CYS 24 HB2 CYS 24 11.870 30.940 9.101 178 HB3 CYS 24 HB3 CYS 24 12.062 32.489 8.287 179 H VAL 25 H VAL 25 11.463 28.910 8.251 180 HA VAL 25 HA VAL 25 13.384 28.386 6.093 181 HB VAL 25 HB VAL 25 13.340 26.522 8.362 182 HG11 VAL 25 HG11 VAL 25 15.252 27.807 6.541 183 HG12 VAL 25 HG12 VAL 25 15.853 27.526 8.177 184 HG13 VAL 25 HG13 VAL 25 15.243 26.178 7.215 185 HG21 VAL 25 HG21 VAL 25 13.856 29.452 8.770 186 HG22 VAL 25 HG22 VAL 25 12.843 28.368 9.724 187 HG23 VAL 25 HG23 VAL 25 14.600 28.223 9.793 188 H TYR 26 H TYR 26 13.649 25.704 6.166 189 HA TYR 26 HA TYR 26 11.606 24.769 4.535 190 HB2 TYR 26 HB2 TYR 26 13.396 23.045 6.255 191 HB3 TYR 26 HB3 TYR 26 12.603 22.584 4.753 192 HD1 TYR 26 HD1 TYR 26 15.545 23.975 6.232 193 HD2 TYR 26 HD2 TYR 26 13.306 23.800 2.618 194 HE1 TYR 26 HE1 TYR 26 17.534 24.687 4.972 195 HE2 TYR 26 HE2 TYR 26 15.290 24.510 1.348 196 HH TYR 26 HH TYR 26 18.125 25.697 2.883 197 H ALA 27 H ALA 27 12.183 24.012 7.970 198 HA ALA 27 HA ALA 27 9.729 22.569 8.242 199 HB1 ALA 27 HB1 ALA 27 11.491 21.923 9.677 200 HB2 ALA 27 HB2 ALA 27 11.741 23.578 10.237 201 HB3 ALA 27 HB3 ALA 27 10.285 22.700 10.704 202 H VAL 28 H VAL 28 10.445 24.973 10.643 203 HA VAL 28 HA VAL 28 8.375 26.789 9.748 204 HB VAL 28 HB VAL 28 6.957 25.217 10.851 205 HG11 VAL 28 HG11 VAL 28 7.874 23.831 12.333 206 HG12 VAL 28 HG12 VAL 28 9.224 24.929 12.629 207 HG13 VAL 28 HG13 VAL 28 7.713 25.128 13.518 208 HG21 VAL 28 HG21 VAL 28 6.899 27.786 11.415 209 HG22 VAL 28 HG22 VAL 28 5.829 26.652 12.238 210 HG23 VAL 28 HG23 VAL 28 7.300 27.213 13.034 211 H CYS 29 H CYS 29 10.206 28.203 9.735 212 HA CYS 29 HA CYS 29 11.623 29.766 10.592 213 HB2 CYS 29 HB2 CYS 29 9.439 29.688 12.664 214 HB3 CYS 29 HB3 CYS 29 10.792 30.806 12.794 215 H VAL 30 H VAL 30 12.005 26.884 11.323 216 HA VAL 30 HA VAL 30 14.060 27.343 13.326 217 HB VAL 30 HB VAL 30 13.387 25.497 14.754 218 HG11 VAL 30 HG11 VAL 30 11.144 27.472 14.342 219 HG12 VAL 30 HG12 VAL 30 11.416 26.506 15.794 220 HG13 VAL 30 HG13 VAL 30 12.590 27.733 15.317 221 HG21 VAL 30 HG21 VAL 30 11.551 24.971 12.571 222 HG22 VAL 30 HG22 VAL 30 12.114 23.900 13.855 223 HG23 VAL 30 HG23 VAL 30 10.741 24.970 14.138 224 H SER 31 H SER 31 14.881 24.819 13.828 225 HA SER 31 HA SER 31 15.231 23.524 11.218 226 HB2 SER 31 HB2 SER 31 17.666 23.230 11.741 227 HB3 SER 31 HB3 SER 31 17.196 24.906 11.458 228 HG SER 31 HG SER 31 17.835 25.352 13.398 229 H HIS 32 H HIS 32 14.300 21.606 11.556 230 HA HIS 32 HA HIS 32 13.952 20.282 13.958 231 HB2 HIS 32 HB2 HIS 32 13.951 19.441 11.099 232 HB3 HIS 32 HB3 HIS 32 13.977 18.178 12.327 233 HD1 HIS 32 HD1 HIS 32 11.676 17.323 12.565 234 HD2 HIS 32 HD2 HIS 32 11.745 21.454 12.133 235 HE1 HIS 32 HE1 HIS 32 9.281 18.061 12.779 236 H LYS 33 H LYS 33 16.722 20.327 11.830 237 HA LYS 33 HA LYS 33 18.124 18.102 12.690 238 HB2 LYS 33 HB2 LYS 33 20.093 19.150 11.851 239 HB3 LYS 33 HB3 LYS 33 18.761 19.675 10.828 240 HG2 LYS 33 HG2 LYS 33 19.520 21.738 11.150 241 HG3 LYS 33 HG3 LYS 33 18.847 21.613 12.777 242 HD2 LYS 33 HD2 LYS 33 21.209 20.391 13.166 243 HD3 LYS 33 HD3 LYS 33 21.656 21.498 11.866 244 HE2 LYS 33 HE2 LYS 33 20.159 22.435 14.293 245 HE3 LYS 33 HE3 LYS 33 21.918 22.312 14.282 246 HZ1 LYS 33 HZ1 LYS 33 21.043 23.663 11.967 247 HZ2 LYS 33 HZ2 LYS 33 22.041 24.229 13.210 248 HZ3 LYS 33 HZ3 LYS 33 20.362 24.401 13.328 Start of MODEL 6 1 H1 GLY 1 H GLY 1 3.397 2.709 -4.586 2 HA2 GLY 1 HA2 GLY 1 6.027 1.615 -4.111 3 HA3 GLY 1 HA3 GLY 1 5.626 2.945 -5.188 4 H PHE 2 H PHE 2 7.148 2.116 -2.352 5 HA PHE 2 HA PHE 2 6.638 4.352 -0.713 6 HB2 PHE 2 HB2 PHE 2 7.661 2.579 0.402 7 HB3 PHE 2 HB3 PHE 2 8.849 2.333 -0.874 8 HD1 PHE 2 HD1 PHE 2 10.910 2.516 0.160 9 HD2 PHE 2 HD2 PHE 2 7.917 5.438 0.947 10 HE1 PHE 2 HE1 PHE 2 12.546 3.845 1.429 11 HE2 PHE 2 HE2 PHE 2 9.548 6.772 2.217 12 HZ PHE 2 HZ PHE 2 11.867 5.976 2.459 13 H TRP 3 H TRP 3 9.411 3.675 -2.851 14 HA TRP 3 HA TRP 3 10.665 6.153 -2.568 15 HB2 TRP 3 HB2 TRP 3 11.504 3.971 -3.693 16 HB3 TRP 3 HB3 TRP 3 10.743 4.610 -5.147 17 HD1 TRP 3 HD1 TRP 3 12.618 5.527 -6.626 18 HE1 TRP 3 HE1 TRP 3 14.676 7.032 -6.275 19 HE3 TRP 3 HE3 TRP 3 12.361 6.082 -1.550 20 HZ2 TRP 3 HZ2 TRP 3 16.014 8.288 -4.130 21 HZ3 TRP 3 HZ3 TRP 3 14.069 7.451 -0.426 22 HH2 TRP 3 HH2 TRP 3 15.858 8.529 -1.691 23 H SER 4 H SER 4 7.770 5.349 -4.159 24 HA SER 4 HA SER 4 7.871 7.673 -5.927 25 HB2 SER 4 HB2 SER 4 6.885 5.260 -6.447 26 HB3 SER 4 HB3 SER 4 5.440 5.953 -5.712 27 HG SER 4 HG SER 4 5.122 6.971 -7.508 28 H SER 5 H SER 5 6.228 6.488 -3.061 29 HA SER 5 HA SER 5 4.401 8.715 -2.945 30 HB2 SER 5 HB2 SER 5 3.838 6.444 -2.059 31 HB3 SER 5 HB3 SER 5 5.039 6.686 -0.791 32 HG SER 5 HG SER 5 2.549 7.391 -0.697 33 H VAL 6 H VAL 6 7.607 8.091 -1.953 34 HA VAL 6 HA VAL 6 7.715 9.853 0.285 35 HB VAL 6 HB VAL 6 9.369 8.042 -0.100 36 HG11 VAL 6 HG11 VAL 6 10.716 9.812 -2.105 37 HG12 VAL 6 HG12 VAL 6 10.965 8.094 -1.786 38 HG13 VAL 6 HG13 VAL 6 9.504 8.637 -2.613 39 HG21 VAL 6 HG21 VAL 6 9.864 10.729 0.742 40 HG22 VAL 6 HG22 VAL 6 10.561 9.228 1.351 41 HG23 VAL 6 HG23 VAL 6 11.322 10.070 0.001 42 H TRP 7 H TRP 7 8.482 10.183 -3.155 43 HA TRP 7 HA TRP 7 9.315 12.928 -2.855 44 HB2 TRP 7 HB2 TRP 7 8.791 11.287 -5.344 45 HB3 TRP 7 HB3 TRP 7 9.522 12.890 -5.317 46 HD1 TRP 7 HD1 TRP 7 10.565 9.494 -5.695 47 HE1 TRP 7 HE1 TRP 7 13.003 9.126 -4.956 48 HE3 TRP 7 HE3 TRP 7 11.262 13.797 -3.024 49 HZ2 TRP 7 HZ2 TRP 7 14.962 10.481 -3.441 50 HZ3 TRP 7 HZ3 TRP 7 13.447 14.184 -1.961 51 HH2 TRP 7 HH2 TRP 7 15.257 12.559 -2.166 52 H ASP 8 H ASP 8 6.465 11.195 -3.992 53 HA ASP 8 HA ASP 8 5.109 13.523 -4.940 54 HB2 ASP 8 HB2 ASP 8 4.698 11.070 -5.602 55 HB3 ASP 8 HB3 ASP 8 3.760 10.961 -4.115 56 H GLY 9 H GLY 9 4.897 11.566 -1.982 57 HA2 GLY 9 HA2 GLY 9 2.803 13.032 -0.785 58 HA3 GLY 9 HA3 GLY 9 3.949 12.005 0.062 59 H ALA 10 H ALA 10 6.327 13.242 -0.323 60 HA ALA 10 HA ALA 10 6.254 15.332 1.558 61 HB1 ALA 10 HB1 ALA 10 8.448 14.568 -0.365 62 HB2 ALA 10 HB2 ALA 10 8.633 15.636 1.026 63 HB3 ALA 10 HB3 ALA 10 8.219 13.939 1.267 64 H LYS 11 H LYS 11 6.669 15.371 -1.969 65 HA LYS 11 HA LYS 11 7.140 18.056 -2.374 66 HB2 LYS 11 HB2 LYS 11 7.232 16.425 -4.180 67 HB3 LYS 11 HB3 LYS 11 5.495 16.169 -4.070 68 HG2 LYS 11 HG2 LYS 11 5.802 17.566 -5.923 69 HG3 LYS 11 HG3 LYS 11 5.245 18.631 -4.630 70 HD2 LYS 11 HD2 LYS 11 6.999 19.868 -5.412 71 HD3 LYS 11 HD3 LYS 11 7.845 18.887 -4.213 72 HE2 LYS 11 HE2 LYS 11 9.162 18.817 -6.176 73 HE3 LYS 11 HE3 LYS 11 8.344 17.259 -6.075 74 HZ1 LYS 11 HZ1 LYS 11 6.641 18.220 -7.615 75 HZ2 LYS 11 HZ2 LYS 11 8.171 17.987 -8.298 76 HZ3 LYS 11 HZ3 LYS 11 7.675 19.540 -7.845 77 H ASN 12 H ASN 12 4.025 16.414 -1.981 78 HA ASN 12 HA ASN 12 2.533 18.865 -2.258 79 HB2 ASN 12 HB2 ASN 12 1.830 16.358 -2.764 80 HB3 ASN 12 HB3 ASN 12 1.321 16.404 -1.078 81 HD21 ASN 12 HD21 ASN 12 -0.749 15.979 -2.307 82 HD22 ASN 12 HD22 ASN 12 -1.680 17.366 -2.747 83 H VAL 13 H VAL 13 3.750 16.867 0.348 84 HA VAL 13 HA VAL 13 2.250 17.985 2.456 85 HB VAL 13 HB VAL 13 4.869 16.527 2.345 86 HG11 VAL 13 HG11 VAL 13 3.653 17.925 4.706 87 HG12 VAL 13 HG12 VAL 13 4.693 16.512 4.899 88 HG13 VAL 13 HG13 VAL 13 5.320 17.971 4.130 89 HG21 VAL 13 HG21 VAL 13 3.681 14.713 2.975 90 HG22 VAL 13 HG22 VAL 13 2.618 15.641 4.033 91 HG23 VAL 13 HG23 VAL 13 2.334 15.623 2.293 92 H GLY 14 H GLY 14 5.368 18.869 1.033 93 HA2 GLY 14 HA2 GLY 14 5.904 20.945 2.930 94 HA3 GLY 14 HA3 GLY 14 6.752 20.674 1.415 95 H THR 15 H THR 15 4.961 21.027 -0.508 96 HA THR 15 HA THR 15 4.700 23.786 -0.740 97 HB THR 15 HB THR 15 4.646 22.150 -2.640 98 HG1 THR 15 HG1 THR 15 2.840 23.399 -3.714 99 HG21 THR 15 HG21 THR 15 1.701 21.899 -2.107 100 HG22 THR 15 HG22 THR 15 2.853 20.727 -1.465 101 HG23 THR 15 HG23 THR 15 2.710 20.961 -3.207 102 H ALA 16 H ALA 16 2.482 21.403 0.552 103 HA ALA 16 HA ALA 16 0.171 23.036 0.610 104 HB1 ALA 16 HB1 ALA 16 -0.690 21.385 2.232 105 HB2 ALA 16 HB2 ALA 16 -0.012 20.636 0.786 106 HB3 ALA 16 HB3 ALA 16 0.909 20.643 2.290 107 H ILE 17 H ILE 17 2.409 22.112 3.234 108 HA ILE 17 HA ILE 17 1.359 23.667 5.254 109 HB ILE 17 HB ILE 17 4.286 23.097 4.770 110 HG12 ILE 17 HG12 ILE 17 2.538 21.576 6.668 111 HG13 ILE 17 HG13 ILE 17 2.495 21.180 4.954 112 HG21 ILE 17 HG21 ILE 17 3.982 24.871 6.392 113 HG22 ILE 17 HG22 ILE 17 2.822 23.887 7.284 114 HG23 ILE 17 HG23 ILE 17 4.514 23.397 7.201 115 HD11 ILE 17 HD11 ILE 17 4.833 21.019 6.828 116 HD12 ILE 17 HD12 ILE 17 4.036 19.708 5.958 117 HD13 ILE 17 HD13 ILE 17 4.990 20.900 5.075 118 H ILE 18 H ILE 18 3.502 24.614 2.632 119 HA ILE 18 HA ILE 18 4.081 27.213 3.638 120 HB ILE 18 HB ILE 18 4.234 26.142 0.818 121 HG12 ILE 18 HG12 ILE 18 6.396 26.567 2.893 122 HG13 ILE 18 HG13 ILE 18 5.696 25.009 2.470 123 HG21 ILE 18 HG21 ILE 18 6.032 28.240 1.093 124 HG22 ILE 18 HG22 ILE 18 4.514 28.260 0.196 125 HG23 ILE 18 HG23 ILE 18 4.557 28.817 1.869 126 HD11 ILE 18 HD11 ILE 18 6.590 26.269 0.087 127 HD12 ILE 18 HD12 ILE 18 7.884 26.328 1.284 128 HD13 ILE 18 HD13 ILE 18 7.163 24.781 0.840 129 H LYS 19 H LYS 19 1.582 25.881 1.561 130 HA LYS 19 HA LYS 19 0.534 28.373 0.682 131 HB2 LYS 19 HB2 LYS 19 -0.566 25.571 0.754 132 HB3 LYS 19 HB3 LYS 19 -1.531 26.927 0.184 133 HG2 LYS 19 HG2 LYS 19 -0.397 27.095 -1.754 134 HG3 LYS 19 HG3 LYS 19 1.147 26.666 -1.014 135 HD2 LYS 19 HD2 LYS 19 0.913 24.679 -2.006 136 HD3 LYS 19 HD3 LYS 19 -0.338 24.346 -0.806 137 HE2 LYS 19 HE2 LYS 19 -1.427 23.905 -2.800 138 HE3 LYS 19 HE3 LYS 19 -1.907 25.568 -2.466 139 HZ1 LYS 19 HZ1 LYS 19 -0.816 24.684 -4.780 140 HZ2 LYS 19 HZ2 LYS 19 0.518 25.364 -3.994 141 HZ3 LYS 19 HZ3 LYS 19 -0.863 26.299 -4.279 142 H ASN 20 H ASN 20 0.028 26.375 3.497 143 HA ASN 20 HA ASN 20 -2.295 27.894 4.350 144 HB2 ASN 20 HB2 ASN 20 -0.883 25.445 5.283 145 HB3 ASN 20 HB3 ASN 20 -1.776 26.370 6.487 146 HD21 ASN 20 HD21 ASN 20 -2.458 25.783 3.067 147 HD22 ASN 20 HD22 ASN 20 -3.986 25.018 3.323 148 H ALA 21 H ALA 21 1.126 27.672 5.033 149 HA ALA 21 HA ALA 21 1.025 30.185 6.458 150 HB1 ALA 21 HB1 ALA 21 2.540 28.879 8.272 151 HB2 ALA 21 HB2 ALA 21 0.811 29.174 8.459 152 HB3 ALA 21 HB3 ALA 21 1.380 27.618 7.853 153 H LYS 22 H LYS 22 2.210 30.514 4.380 154 HA LYS 22 HA LYS 22 4.711 29.366 3.850 155 HB2 LYS 22 HB2 LYS 22 5.094 31.452 2.478 156 HB3 LYS 22 HB3 LYS 22 3.626 30.558 2.101 157 HG2 LYS 22 HG2 LYS 22 3.058 32.513 4.109 158 HG3 LYS 22 HG3 LYS 22 3.881 33.279 2.748 159 HD2 LYS 22 HD2 LYS 22 1.634 31.374 2.240 160 HD3 LYS 22 HD3 LYS 22 1.281 33.031 2.738 161 HE2 LYS 22 HE2 LYS 22 3.044 32.307 0.403 162 HE3 LYS 22 HE3 LYS 22 1.325 32.667 0.263 163 HZ1 LYS 22 HZ1 LYS 22 1.709 34.841 0.413 164 HZ2 LYS 22 HZ2 LYS 22 3.337 34.482 0.131 165 HZ3 LYS 22 HZ3 LYS 22 2.775 34.670 1.715 166 H VAL 23 H VAL 23 5.977 29.267 5.694 167 HA VAL 23 HA VAL 23 6.489 31.348 7.481 168 HB VAL 23 HB VAL 23 8.654 30.106 7.949 169 HG11 VAL 23 HG11 VAL 23 7.223 27.942 8.571 170 HG12 VAL 23 HG12 VAL 23 7.063 29.470 9.439 171 HG13 VAL 23 HG13 VAL 23 5.901 29.042 8.183 172 HG21 VAL 23 HG21 VAL 23 9.142 28.091 6.871 173 HG22 VAL 23 HG22 VAL 23 7.537 27.981 6.149 174 HG23 VAL 23 HG23 VAL 23 8.690 29.176 5.556 175 H CYS 24 H CYS 24 9.000 32.007 7.744 176 HA CYS 24 HA CYS 24 9.494 33.764 5.510 177 HB2 CYS 24 HB2 CYS 24 11.362 33.474 7.837 178 HB3 CYS 24 HB3 CYS 24 10.960 34.914 6.908 179 H VAL 25 H VAL 25 11.360 31.237 7.193 180 HA VAL 25 HA VAL 25 13.141 31.071 4.865 181 HB VAL 25 HB VAL 25 13.738 29.462 7.275 182 HG11 VAL 25 HG11 VAL 25 15.911 31.038 6.525 183 HG12 VAL 25 HG12 VAL 25 15.630 29.346 6.110 184 HG13 VAL 25 HG13 VAL 25 15.103 30.624 5.014 185 HG21 VAL 25 HG21 VAL 25 14.690 31.414 8.457 186 HG22 VAL 25 HG22 VAL 25 13.917 32.474 7.278 187 HG23 VAL 25 HG23 VAL 25 12.931 31.473 8.343 188 H TYR 26 H TYR 26 14.056 28.667 4.707 189 HA TYR 26 HA TYR 26 12.041 27.115 3.575 190 HB2 TYR 26 HB2 TYR 26 14.633 26.014 4.663 191 HB3 TYR 26 HB3 TYR 26 13.679 25.395 3.320 192 HD1 TYR 26 HD1 TYR 26 13.564 26.725 1.191 193 HD2 TYR 26 HD2 TYR 26 16.271 27.687 4.329 194 HE1 TYR 26 HE1 TYR 26 14.901 28.062 -0.381 195 HE2 TYR 26 HE2 TYR 26 17.616 29.028 2.766 196 HH TYR 26 HH TYR 26 17.959 28.977 0.123 197 H ALA 27 H ALA 27 13.589 26.837 6.757 198 HA ALA 27 HA ALA 27 12.112 24.557 7.578 199 HB1 ALA 27 HB1 ALA 27 12.889 25.248 9.881 200 HB2 ALA 27 HB2 ALA 27 14.158 24.973 8.687 201 HB3 ALA 27 HB3 ALA 27 13.682 26.619 9.105 202 H VAL 28 H VAL 28 11.960 27.321 9.676 203 HA VAL 28 HA VAL 28 9.158 27.830 9.108 204 HB VAL 28 HB VAL 28 10.003 26.864 11.843 205 HG11 VAL 28 HG11 VAL 28 8.088 27.678 12.629 206 HG12 VAL 28 HG12 VAL 28 7.898 28.531 11.096 207 HG13 VAL 28 HG13 VAL 28 7.168 26.941 11.318 208 HG21 VAL 28 HG21 VAL 28 8.385 25.511 9.689 209 HG22 VAL 28 HG22 VAL 28 9.943 24.994 10.333 210 HG23 VAL 28 HG23 VAL 28 8.506 24.940 11.354 211 H CYS 29 H CYS 29 10.504 29.798 8.550 212 HA CYS 29 HA CYS 29 11.006 31.979 8.956 213 HB2 CYS 29 HB2 CYS 29 8.789 31.595 10.372 214 HB3 CYS 29 HB3 CYS 29 9.889 31.868 11.719 215 H VAL 30 H VAL 30 12.592 29.586 10.126 216 HA VAL 30 HA VAL 30 14.598 31.249 11.409 217 HB VAL 30 HB VAL 30 12.944 30.116 13.143 218 HG11 VAL 30 HG11 VAL 30 13.570 27.851 12.019 219 HG12 VAL 30 HG12 VAL 30 15.012 27.963 13.028 220 HG13 VAL 30 HG13 VAL 30 13.413 27.946 13.773 221 HG21 VAL 30 HG21 VAL 30 14.440 30.964 14.549 222 HG22 VAL 30 HG22 VAL 30 15.572 29.660 14.195 223 HG23 VAL 30 HG23 VAL 30 15.570 31.118 13.203 224 H SER 31 H SER 31 16.542 29.732 12.037 225 HA SER 31 HA SER 31 16.946 27.881 9.779 226 HB2 SER 31 HB2 SER 31 19.299 28.483 9.802 227 HB3 SER 31 HB3 SER 31 18.329 29.950 9.682 228 HG SER 31 HG SER 31 19.827 28.971 11.843 229 H HIS 32 H HIS 32 16.933 25.839 10.421 230 HA HIS 32 HA HIS 32 17.375 25.070 13.139 231 HB2 HIS 32 HB2 HIS 32 16.743 23.644 10.592 232 HB3 HIS 32 HB3 HIS 32 17.367 22.706 11.946 233 HD1 HIS 32 HD1 HIS 32 15.577 21.746 13.336 234 HD2 HIS 32 HD2 HIS 32 14.404 25.329 11.589 235 HE1 HIS 32 HE1 HIS 32 13.200 22.107 14.073 236 H LYS 33 H LYS 33 19.297 25.133 10.221 237 HA LYS 33 HA LYS 33 21.380 23.430 11.049 238 HB2 LYS 33 HB2 LYS 33 20.816 24.591 8.725 239 HB3 LYS 33 HB3 LYS 33 21.981 25.774 9.307 240 HG2 LYS 33 HG2 LYS 33 23.736 24.302 9.208 241 HG3 LYS 33 HG3 LYS 33 22.699 22.885 9.386 242 HD2 LYS 33 HD2 LYS 33 23.579 23.000 7.128 243 HD3 LYS 33 HD3 LYS 33 21.833 23.258 7.112 244 HE2 LYS 33 HE2 LYS 33 23.250 25.753 7.417 245 HE3 LYS 33 HE3 LYS 33 23.797 24.889 5.981 246 HZ1 LYS 33 HZ1 LYS 33 21.272 24.604 5.569 247 HZ2 LYS 33 HZ2 LYS 33 22.017 26.072 5.183 248 HZ3 LYS 33 HZ3 LYS 33 21.120 25.929 6.610 Start of MODEL 7 1 H1 GLY 1 H GLY 1 4.116 1.439 -5.098 2 HA2 GLY 1 HA2 GLY 1 6.485 1.406 -4.231 3 HA3 GLY 1 HA3 GLY 1 6.181 2.673 -5.411 4 H PHE 2 H PHE 2 7.437 2.030 -2.416 5 HA PHE 2 HA PHE 2 6.692 4.306 -0.928 6 HB2 PHE 2 HB2 PHE 2 7.689 2.467 0.228 7 HB3 PHE 2 HB3 PHE 2 9.119 2.516 -0.798 8 HD1 PHE 2 HD1 PHE 2 7.461 3.901 2.110 9 HD2 PHE 2 HD2 PHE 2 10.770 4.322 -0.534 10 HE1 PHE 2 HE1 PHE 2 8.572 5.372 3.740 11 HE2 PHE 2 HE2 PHE 2 11.886 5.793 1.092 12 HZ PHE 2 HZ PHE 2 10.788 6.319 3.232 13 H TRP 3 H TRP 3 9.595 3.661 -2.887 14 HA TRP 3 HA TRP 3 10.833 6.131 -2.556 15 HB2 TRP 3 HB2 TRP 3 11.676 3.958 -3.711 16 HB3 TRP 3 HB3 TRP 3 10.967 4.651 -5.167 17 HD1 TRP 3 HD1 TRP 3 12.905 5.573 -6.559 18 HE1 TRP 3 HE1 TRP 3 14.968 7.044 -6.102 19 HE3 TRP 3 HE3 TRP 3 12.482 6.011 -1.483 20 HZ2 TRP 3 HZ2 TRP 3 16.246 8.232 -3.884 21 HZ3 TRP 3 HZ3 TRP 3 14.167 7.331 -0.269 22 HH2 TRP 3 HH2 TRP 3 16.009 8.417 -1.446 23 H SER 4 H SER 4 8.011 5.315 -4.314 24 HA SER 4 HA SER 4 8.140 7.711 -5.977 25 HB2 SER 4 HB2 SER 4 6.491 5.232 -5.958 26 HB3 SER 4 HB3 SER 4 5.745 6.694 -6.604 27 HG SER 4 HG SER 4 6.920 5.373 -8.157 28 H SER 5 H SER 5 6.379 6.383 -3.246 29 HA SER 5 HA SER 5 4.518 8.584 -3.133 30 HB2 SER 5 HB2 SER 5 3.422 7.396 -1.491 31 HB3 SER 5 HB3 SER 5 4.262 6.074 -2.303 32 HG SER 5 HG SER 5 4.444 6.767 0.223 33 H VAL 6 H VAL 6 7.670 7.944 -2.001 34 HA VAL 6 HA VAL 6 7.630 9.595 0.327 35 HB VAL 6 HB VAL 6 9.318 7.791 -0.108 36 HG11 VAL 6 HG11 VAL 6 9.672 8.593 -2.515 37 HG12 VAL 6 HG12 VAL 6 10.756 9.797 -1.816 38 HG13 VAL 6 HG13 VAL 6 11.091 8.078 -1.605 39 HG21 VAL 6 HG21 VAL 6 10.528 8.781 1.472 40 HG22 VAL 6 HG22 VAL 6 11.123 9.991 0.335 41 HG23 VAL 6 HG23 VAL 6 9.600 10.254 1.186 42 H TRP 7 H TRP 7 8.580 10.089 -3.046 43 HA TRP 7 HA TRP 7 9.369 12.825 -2.567 44 HB2 TRP 7 HB2 TRP 7 9.032 11.300 -5.159 45 HB3 TRP 7 HB3 TRP 7 9.751 12.901 -5.003 46 HD1 TRP 7 HD1 TRP 7 10.859 9.561 -5.521 47 HE1 TRP 7 HE1 TRP 7 13.233 9.150 -4.616 48 HE3 TRP 7 HE3 TRP 7 11.291 13.653 -2.487 49 HZ2 TRP 7 HZ2 TRP 7 15.048 10.395 -2.849 50 HZ3 TRP 7 HZ3 TRP 7 13.378 13.969 -1.223 51 HH2 TRP 7 HH2 TRP 7 15.217 12.372 -1.402 52 H ASP 8 H ASP 8 6.628 11.116 -3.974 53 HA ASP 8 HA ASP 8 5.307 13.478 -4.896 54 HB2 ASP 8 HB2 ASP 8 4.486 10.607 -4.556 55 HB3 ASP 8 HB3 ASP 8 3.298 11.839 -4.972 56 H GLY 9 H GLY 9 4.955 11.374 -2.060 57 HA2 GLY 9 HA2 GLY 9 2.741 12.736 -0.943 58 HA3 GLY 9 HA3 GLY 9 3.841 11.677 -0.074 59 H ALA 10 H ALA 10 6.230 13.125 -0.505 60 HA ALA 10 HA ALA 10 5.977 15.078 1.567 61 HB1 ALA 10 HB1 ALA 10 8.356 14.504 -0.194 62 HB2 ALA 10 HB2 ALA 10 8.364 15.363 1.347 63 HB3 ALA 10 HB3 ALA 10 7.970 13.645 1.297 64 H LYS 11 H LYS 11 6.770 15.248 -1.898 65 HA LYS 11 HA LYS 11 7.233 17.927 -2.199 66 HB2 LYS 11 HB2 LYS 11 7.425 16.328 -4.035 67 HB3 LYS 11 HB3 LYS 11 5.678 16.124 -4.064 68 HG2 LYS 11 HG2 LYS 11 5.323 18.095 -5.129 69 HG3 LYS 11 HG3 LYS 11 6.730 18.872 -4.400 70 HD2 LYS 11 HD2 LYS 11 7.523 18.635 -6.520 71 HD3 LYS 11 HD3 LYS 11 8.002 17.061 -5.879 72 HE2 LYS 11 HE2 LYS 11 5.942 16.081 -6.783 73 HE3 LYS 11 HE3 LYS 11 5.487 17.653 -7.438 74 HZ1 LYS 11 HZ1 LYS 11 7.073 17.542 -9.058 75 HZ2 LYS 11 HZ2 LYS 11 6.699 15.900 -8.913 76 HZ3 LYS 11 HZ3 LYS 11 8.090 16.518 -8.175 77 H ASN 12 H ASN 12 4.046 16.340 -2.381 78 HA ASN 12 HA ASN 12 2.602 18.774 -2.618 79 HB2 ASN 12 HB2 ASN 12 1.929 16.260 -3.134 80 HB3 ASN 12 HB3 ASN 12 1.308 16.333 -1.487 81 HD21 ASN 12 HD21 ASN 12 -0.481 15.866 -3.366 82 HD22 ASN 12 HD22 ASN 12 -1.452 17.259 -3.687 83 H VAL 13 H VAL 13 3.677 16.834 0.084 84 HA VAL 13 HA VAL 13 2.035 17.934 2.087 85 HB VAL 13 HB VAL 13 4.596 16.430 2.056 86 HG11 VAL 13 HG11 VAL 13 4.653 16.695 4.599 87 HG12 VAL 13 HG12 VAL 13 5.290 18.023 3.628 88 HG13 VAL 13 HG13 VAL 13 3.683 18.145 4.344 89 HG21 VAL 13 HG21 VAL 13 3.393 14.818 3.180 90 HG22 VAL 13 HG22 VAL 13 2.299 15.991 3.912 91 HG23 VAL 13 HG23 VAL 13 2.133 15.576 2.206 92 H GLY 14 H GLY 14 5.262 18.862 0.926 93 HA2 GLY 14 HA2 GLY 14 5.672 20.954 2.780 94 HA3 GLY 14 HA3 GLY 14 6.497 20.772 1.239 95 H THR 15 H THR 15 4.205 20.902 -0.432 96 HA THR 15 HA THR 15 4.015 23.646 -0.869 97 HB THR 15 HB THR 15 2.369 23.190 -2.514 98 HG1 THR 15 HG1 THR 15 1.401 20.954 -2.455 99 HG21 THR 15 HG21 THR 15 3.481 20.542 -2.842 100 HG22 THR 15 HG22 THR 15 4.721 21.698 -2.358 101 HG23 THR 15 HG23 THR 15 3.751 21.998 -3.799 102 H ALA 16 H ALA 16 1.747 21.456 0.762 103 HA ALA 16 HA ALA 16 -0.273 23.331 1.271 104 HB1 ALA 16 HB1 ALA 16 -1.277 21.708 2.524 105 HB2 ALA 16 HB2 ALA 16 -0.158 20.715 1.590 106 HB3 ALA 16 HB3 ALA 16 0.239 21.170 3.247 107 H ILE 17 H ILE 17 2.375 22.224 3.386 108 HA ILE 17 HA ILE 17 1.882 23.732 5.619 109 HB ILE 17 HB ILE 17 4.598 23.174 4.420 110 HG12 ILE 17 HG12 ILE 17 3.139 21.174 4.825 111 HG13 ILE 17 HG13 ILE 17 4.624 21.183 5.770 112 HG21 ILE 17 HG21 ILE 17 4.955 24.810 6.051 113 HG22 ILE 17 HG22 ILE 17 3.731 24.135 7.125 114 HG23 ILE 17 HG23 ILE 17 5.260 23.289 6.891 115 HD11 ILE 17 HD11 ILE 17 2.265 20.596 6.820 116 HD12 ILE 17 HD12 ILE 17 3.530 21.416 7.737 117 HD13 ILE 17 HD13 ILE 17 2.212 22.347 7.025 118 H ILE 18 H ILE 18 3.472 24.755 2.635 119 HA ILE 18 HA ILE 18 4.036 27.397 3.639 120 HB ILE 18 HB ILE 18 4.191 26.302 0.828 121 HG12 ILE 18 HG12 ILE 18 6.328 26.777 2.917 122 HG13 ILE 18 HG13 ILE 18 5.745 25.208 2.371 123 HG21 ILE 18 HG21 ILE 18 3.906 28.711 0.806 124 HG22 ILE 18 HG22 ILE 18 5.218 28.896 1.969 125 HG23 ILE 18 HG23 ILE 18 5.556 28.288 0.348 126 HD11 ILE 18 HD11 ILE 18 7.350 25.214 0.854 127 HD12 ILE 18 HD12 ILE 18 6.549 26.574 0.065 128 HD13 ILE 18 HD13 ILE 18 7.800 26.867 1.274 129 H LYS 19 H LYS 19 1.592 25.873 1.626 130 HA LYS 19 HA LYS 19 0.364 28.043 0.467 131 HB2 LYS 19 HB2 LYS 19 -0.367 25.321 1.123 132 HB3 LYS 19 HB3 LYS 19 -1.745 26.398 1.306 133 HG2 LYS 19 HG2 LYS 19 -1.738 25.502 -0.915 134 HG3 LYS 19 HG3 LYS 19 -1.356 27.224 -0.991 135 HD2 LYS 19 HD2 LYS 19 1.120 26.345 -0.871 136 HD3 LYS 19 HD3 LYS 19 0.393 24.860 -1.490 137 HE2 LYS 19 HE2 LYS 19 -0.434 25.983 -3.423 138 HE3 LYS 19 HE3 LYS 19 -0.014 27.561 -2.759 139 HZ1 LYS 19 HZ1 LYS 19 2.224 27.219 -3.138 140 HZ2 LYS 19 HZ2 LYS 19 1.525 26.497 -4.498 141 HZ3 LYS 19 HZ3 LYS 19 2.077 25.536 -3.220 142 H ASN 20 H ASN 20 0.211 26.970 3.797 143 HA ASN 20 HA ASN 20 -1.814 28.965 4.447 144 HB2 ASN 20 HB2 ASN 20 -0.643 26.602 5.825 145 HB3 ASN 20 HB3 ASN 20 -1.232 27.917 6.839 146 HD21 ASN 20 HD21 ASN 20 -2.392 26.546 3.783 147 HD22 ASN 20 HD22 ASN 20 -3.980 26.176 4.354 148 H ALA 21 H ALA 21 1.603 28.463 4.644 149 HA ALA 21 HA ALA 21 1.944 30.728 6.465 150 HB1 ALA 21 HB1 ALA 21 3.519 28.375 5.772 151 HB2 ALA 21 HB2 ALA 21 4.469 29.860 5.835 152 HB3 ALA 21 HB3 ALA 21 3.528 29.356 7.238 153 H LYS 22 H LYS 22 1.119 30.799 3.525 154 HA LYS 22 HA LYS 22 3.263 31.996 2.092 155 HB2 LYS 22 HB2 LYS 22 0.348 31.616 1.676 156 HB3 LYS 22 HB3 LYS 22 1.116 32.911 0.766 157 HG2 LYS 22 HG2 LYS 22 2.486 31.446 -0.406 158 HG3 LYS 22 HG3 LYS 22 2.273 30.151 0.774 159 HD2 LYS 22 HD2 LYS 22 0.967 29.484 -1.048 160 HD3 LYS 22 HD3 LYS 22 -0.196 30.187 0.078 161 HE2 LYS 22 HE2 LYS 22 -0.137 32.287 -1.174 162 HE3 LYS 22 HE3 LYS 22 1.035 31.592 -2.292 163 HZ1 LYS 22 HZ1 LYS 22 -1.524 30.214 -1.891 164 HZ2 LYS 22 HZ2 LYS 22 -0.536 30.268 -3.262 165 HZ3 LYS 22 HZ3 LYS 22 -1.494 31.602 -2.858 166 H VAL 23 H VAL 23 4.015 33.534 3.685 167 HA VAL 23 HA VAL 23 2.517 35.637 4.735 168 HB VAL 23 HB VAL 23 4.737 36.865 4.845 169 HG11 VAL 23 HG11 VAL 23 3.959 34.352 6.125 170 HG12 VAL 23 HG12 VAL 23 5.682 34.715 6.240 171 HG13 VAL 23 HG13 VAL 23 4.494 35.873 6.840 172 HG21 VAL 23 HG21 VAL 23 5.953 34.270 3.968 173 HG22 VAL 23 HG22 VAL 23 5.597 35.546 2.805 174 HG23 VAL 23 HG23 VAL 23 6.713 35.853 4.136 175 H CYS 24 H CYS 24 3.355 38.032 4.128 176 HA CYS 24 HA CYS 24 2.244 38.515 1.512 177 HB2 CYS 24 HB2 CYS 24 3.452 40.656 3.231 178 HB3 CYS 24 HB3 CYS 24 2.070 40.753 2.144 179 H VAL 25 H VAL 25 5.328 39.283 3.122 180 HA VAL 25 HA VAL 25 6.529 39.780 0.492 181 HB VAL 25 HB VAL 25 8.136 40.223 2.935 182 HG11 VAL 25 HG11 VAL 25 7.989 41.140 0.201 183 HG12 VAL 25 HG12 VAL 25 8.087 42.494 1.328 184 HG13 VAL 25 HG13 VAL 25 9.323 41.236 1.350 185 HG21 VAL 25 HG21 VAL 25 5.737 41.922 2.264 186 HG22 VAL 25 HG22 VAL 25 6.010 41.011 3.749 187 HG23 VAL 25 HG23 VAL 25 7.027 42.400 3.368 188 H TYR 26 H TYR 26 9.038 39.187 0.612 189 HA TYR 26 HA TYR 26 9.199 36.405 0.435 190 HB2 TYR 26 HB2 TYR 26 11.556 38.227 0.916 191 HB3 TYR 26 HB3 TYR 26 11.537 36.693 0.053 192 HD1 TYR 26 HD1 TYR 26 11.074 40.261 -0.195 193 HD2 TYR 26 HD2 TYR 26 10.379 36.557 -2.170 194 HE1 TYR 26 HE1 TYR 26 10.715 41.464 -2.310 195 HE2 TYR 26 HE2 TYR 26 10.020 37.749 -4.291 196 HH TYR 26 HH TYR 26 10.340 39.762 -5.349 197 H ALA 27 H ALA 27 10.159 38.602 3.037 198 HA ALA 27 HA ALA 27 11.266 36.562 4.694 199 HB1 ALA 27 HB1 ALA 27 12.055 38.761 5.047 200 HB2 ALA 27 HB2 ALA 27 10.421 39.397 5.237 201 HB3 ALA 27 HB3 ALA 27 11.108 38.346 6.475 202 H VAL 28 H VAL 28 8.861 38.631 6.112 203 HA VAL 28 HA VAL 28 6.887 36.509 6.302 204 HB VAL 28 HB VAL 28 8.124 37.668 8.803 205 HG11 VAL 28 HG11 VAL 28 5.574 36.629 8.379 206 HG12 VAL 28 HG12 VAL 28 6.480 35.321 9.141 207 HG13 VAL 28 HG13 VAL 28 6.370 36.895 9.930 208 HG21 VAL 28 HG21 VAL 28 9.676 36.117 7.880 209 HG22 VAL 28 HG22 VAL 28 8.838 35.291 9.194 210 HG23 VAL 28 HG23 VAL 28 8.398 34.957 7.519 211 H CYS 29 H CYS 29 5.989 38.345 4.966 212 HA CYS 29 HA CYS 29 4.491 40.037 4.717 213 HB2 CYS 29 HB2 CYS 29 3.488 38.571 6.692 214 HB3 CYS 29 HB3 CYS 29 3.821 40.027 7.624 215 H VAL 30 H VAL 30 7.302 40.483 5.833 216 HA VAL 30 HA VAL 30 6.938 43.333 6.318 217 HB VAL 30 HB VAL 30 8.326 43.419 8.271 218 HG11 VAL 30 HG11 VAL 30 5.975 43.028 8.695 219 HG12 VAL 30 HG12 VAL 30 6.213 41.285 8.559 220 HG13 VAL 30 HG13 VAL 30 6.948 42.175 9.893 221 HG21 VAL 30 HG21 VAL 30 8.707 40.857 9.188 222 HG22 VAL 30 HG22 VAL 30 9.026 40.708 7.460 223 HG23 VAL 30 HG23 VAL 30 9.933 41.871 8.427 224 H SER 31 H SER 31 9.513 44.032 6.919 225 HA SER 31 HA SER 31 11.245 42.815 4.909 226 HB2 SER 31 HB2 SER 31 11.728 44.902 3.797 227 HB3 SER 31 HB3 SER 31 9.980 44.668 3.787 228 HG SER 31 HG SER 31 10.419 46.771 4.412 229 H HIS 32 H HIS 32 13.138 42.455 5.835 230 HA HIS 32 HA HIS 32 13.869 43.746 8.298 231 HB2 HIS 32 HB2 HIS 32 15.221 41.681 6.563 232 HB3 HIS 32 HB3 HIS 32 15.977 42.337 8.013 233 HD1 HIS 32 HD1 HIS 32 15.844 39.715 8.723 234 HD2 HIS 32 HD2 HIS 32 12.258 41.810 8.589 235 HE1 HIS 32 HE1 HIS 32 14.214 38.343 10.058 236 H LYS 33 H LYS 33 14.754 44.006 4.927 237 HA LYS 33 HA LYS 33 17.149 45.425 5.166 238 HB2 LYS 33 HB2 LYS 33 16.204 44.449 3.057 239 HB3 LYS 33 HB3 LYS 33 15.066 45.789 3.007 240 HG2 LYS 33 HG2 LYS 33 16.826 47.370 2.713 241 HG3 LYS 33 HG3 LYS 33 18.054 46.139 3.014 242 HD2 LYS 33 HD2 LYS 33 16.119 45.698 0.795 243 HD3 LYS 33 HD3 LYS 33 17.410 46.879 0.560 244 HE2 LYS 33 HE2 LYS 33 19.066 45.163 1.142 245 HE3 LYS 33 HE3 LYS 33 17.768 43.988 1.345 246 HZ1 LYS 33 HZ1 LYS 33 18.581 45.344 -1.164 247 HZ2 LYS 33 HZ2 LYS 33 17.178 44.411 -1.018 248 HZ3 LYS 33 HZ3 LYS 33 18.696 43.695 -0.806 Start of MODEL 8 1 H1 GLY 1 H GLY 1 3.648 2.198 -4.899 2 HA2 GLY 1 HA2 GLY 1 5.511 1.508 -3.218 3 HA3 GLY 1 HA3 GLY 1 5.987 2.438 -4.631 4 H PHE 2 H PHE 2 7.111 2.287 -1.876 5 HA PHE 2 HA PHE 2 6.555 4.718 -0.530 6 HB2 PHE 2 HB2 PHE 2 7.527 2.978 0.758 7 HB3 PHE 2 HB3 PHE 2 8.849 2.768 -0.385 8 HD1 PHE 2 HD1 PHE 2 7.586 4.679 2.433 9 HD2 PHE 2 HD2 PHE 2 10.692 4.376 -0.461 10 HE1 PHE 2 HE1 PHE 2 8.974 6.210 3.767 11 HE2 PHE 2 HE2 PHE 2 12.086 5.906 0.869 12 HZ PHE 2 HZ PHE 2 11.228 6.825 2.986 13 H TRP 3 H TRP 3 9.296 3.728 -2.578 14 HA TRP 3 HA TRP 3 10.699 6.115 -2.568 15 HB2 TRP 3 HB2 TRP 3 10.509 3.803 -4.430 16 HB3 TRP 3 HB3 TRP 3 11.265 5.270 -5.046 17 HD1 TRP 3 HD1 TRP 3 12.439 2.211 -3.877 18 HE1 TRP 3 HE1 TRP 3 14.632 2.375 -2.539 19 HE3 TRP 3 HE3 TRP 3 12.358 7.207 -2.795 20 HZ2 TRP 3 HZ2 TRP 3 16.129 4.359 -1.201 21 HZ3 TRP 3 HZ3 TRP 3 14.208 8.159 -1.481 22 HH2 TRP 3 HH2 TRP 3 16.053 6.763 -0.701 23 H SER 4 H SER 4 7.725 5.333 -4.127 24 HA SER 4 HA SER 4 7.863 7.651 -5.893 25 HB2 SER 4 HB2 SER 4 6.827 5.255 -6.394 26 HB3 SER 4 HB3 SER 4 5.397 5.983 -5.663 27 HG SER 4 HG SER 4 5.195 6.558 -7.728 28 H SER 5 H SER 5 6.212 6.526 -3.010 29 HA SER 5 HA SER 5 4.414 8.774 -2.908 30 HB2 SER 5 HB2 SER 5 3.831 6.531 -1.977 31 HB3 SER 5 HB3 SER 5 5.060 6.768 -0.735 32 HG SER 5 HG SER 5 3.009 7.380 0.024 33 H VAL 6 H VAL 6 7.647 8.269 -2.119 34 HA VAL 6 HA VAL 6 7.791 10.037 0.145 35 HB VAL 6 HB VAL 6 9.416 8.129 -0.423 36 HG11 VAL 6 HG11 VAL 6 11.209 8.546 -1.886 37 HG12 VAL 6 HG12 VAL 6 9.765 9.037 -2.775 38 HG13 VAL 6 HG13 VAL 6 10.801 10.256 -2.031 39 HG21 VAL 6 HG21 VAL 6 10.411 9.082 1.321 40 HG22 VAL 6 HG22 VAL 6 11.325 10.085 0.194 41 HG23 VAL 6 HG23 VAL 6 9.802 10.672 0.862 42 H TRP 7 H TRP 7 8.403 10.267 -3.323 43 HA TRP 7 HA TRP 7 9.316 13.004 -3.123 44 HB2 TRP 7 HB2 TRP 7 8.652 11.381 -5.589 45 HB3 TRP 7 HB3 TRP 7 9.538 12.903 -5.546 46 HD1 TRP 7 HD1 TRP 7 10.323 9.535 -6.162 47 HE1 TRP 7 HE1 TRP 7 12.687 8.877 -5.385 48 HE3 TRP 7 HE3 TRP 7 11.261 13.451 -3.012 49 HZ2 TRP 7 HZ2 TRP 7 14.685 9.885 -3.664 50 HZ3 TRP 7 HZ3 TRP 7 13.423 13.529 -1.839 51 HH2 TRP 7 HH2 TRP 7 15.097 11.781 -2.159 52 H ASP 8 H ASP 8 6.419 11.284 -4.171 53 HA ASP 8 HA ASP 8 5.076 13.658 -5.062 54 HB2 ASP 8 HB2 ASP 8 4.350 11.709 -6.146 55 HB3 ASP 8 HB3 ASP 8 4.246 10.800 -4.641 56 H GLY 9 H GLY 9 4.928 11.599 -2.179 57 HA2 GLY 9 HA2 GLY 9 2.798 12.965 -0.920 58 HA3 GLY 9 HA3 GLY 9 3.975 11.936 -0.117 59 H ALA 10 H ALA 10 6.318 13.230 -0.444 60 HA ALA 10 HA ALA 10 6.195 15.267 1.494 61 HB1 ALA 10 HB1 ALA 10 8.390 14.474 -0.410 62 HB2 ALA 10 HB2 ALA 10 8.587 15.664 0.877 63 HB3 ALA 10 HB3 ALA 10 8.197 13.991 1.275 64 H LYS 11 H LYS 11 6.634 15.406 -2.027 65 HA LYS 11 HA LYS 11 7.064 18.109 -2.356 66 HB2 LYS 11 HB2 LYS 11 7.223 16.594 -4.223 67 HB3 LYS 11 HB3 LYS 11 5.516 16.191 -4.102 68 HG2 LYS 11 HG2 LYS 11 6.185 19.040 -4.517 69 HG3 LYS 11 HG3 LYS 11 6.475 17.940 -5.867 70 HD2 LYS 11 HD2 LYS 11 3.873 17.720 -4.456 71 HD3 LYS 11 HD3 LYS 11 4.127 19.137 -5.478 72 HE2 LYS 11 HE2 LYS 11 4.532 16.289 -6.382 73 HE3 LYS 11 HE3 LYS 11 3.052 17.211 -6.642 74 HZ1 LYS 11 HZ1 LYS 11 4.965 18.865 -7.590 75 HZ2 LYS 11 HZ2 LYS 11 4.022 17.829 -8.537 76 HZ3 LYS 11 HZ3 LYS 11 5.565 17.347 -8.036 77 H ASN 12 H ASN 12 3.972 16.404 -2.047 78 HA ASN 12 HA ASN 12 2.440 18.833 -2.271 79 HB2 ASN 12 HB2 ASN 12 1.787 16.327 -2.842 80 HB3 ASN 12 HB3 ASN 12 1.263 16.323 -1.161 81 HD21 ASN 12 HD21 ASN 12 -0.426 16.002 -3.390 82 HD22 ASN 12 HD22 ASN 12 -1.519 17.339 -3.428 83 H VAL 13 H VAL 13 3.672 16.796 0.297 84 HA VAL 13 HA VAL 13 2.135 17.826 2.420 85 HB VAL 13 HB VAL 13 4.789 16.436 2.288 86 HG11 VAL 13 HG11 VAL 13 4.584 16.363 4.850 87 HG12 VAL 13 HG12 VAL 13 5.222 17.831 4.107 88 HG13 VAL 13 HG13 VAL 13 3.549 17.779 4.665 89 HG21 VAL 13 HG21 VAL 13 3.573 14.604 2.628 90 HG22 VAL 13 HG22 VAL 13 2.768 15.323 4.022 91 HG23 VAL 13 HG23 VAL 13 2.133 15.596 2.400 92 H GLY 14 H GLY 14 5.431 18.665 1.339 93 HA2 GLY 14 HA2 GLY 14 5.780 20.778 3.189 94 HA3 GLY 14 HA3 GLY 14 6.717 20.528 1.724 95 H THR 15 H THR 15 5.127 20.924 -0.316 96 HA THR 15 HA THR 15 4.864 23.637 -0.607 97 HB THR 15 HB THR 15 4.728 21.901 -2.439 98 HG1 THR 15 HG1 THR 15 4.316 24.038 -2.972 99 HG21 THR 15 HG21 THR 15 2.557 21.028 -3.049 100 HG22 THR 15 HG22 THR 15 1.800 21.874 -1.699 101 HG23 THR 15 HG23 THR 15 2.928 20.553 -1.392 102 H ALA 16 H ALA 16 2.586 21.387 0.799 103 HA ALA 16 HA ALA 16 0.345 23.141 0.814 104 HB1 ALA 16 HB1 ALA 16 -0.041 20.790 0.978 105 HB2 ALA 16 HB2 ALA 16 0.964 20.671 2.423 106 HB3 ALA 16 HB3 ALA 16 -0.574 21.531 2.487 107 H ILE 17 H ILE 17 2.791 22.284 3.241 108 HA ILE 17 HA ILE 17 1.820 23.663 5.422 109 HB ILE 17 HB ILE 17 4.713 23.387 4.599 110 HG12 ILE 17 HG12 ILE 17 3.345 21.694 6.656 111 HG13 ILE 17 HG13 ILE 17 3.130 21.315 4.951 112 HG21 ILE 17 HG21 ILE 17 5.210 24.614 6.379 113 HG22 ILE 17 HG22 ILE 17 3.501 24.780 6.779 114 HG23 ILE 17 HG23 ILE 17 4.422 23.411 7.400 115 HD11 ILE 17 HD11 ILE 17 5.415 20.874 6.694 116 HD12 ILE 17 HD12 ILE 17 4.969 20.087 5.179 117 HD13 ILE 17 HD13 ILE 17 5.841 21.619 5.154 118 H ILE 18 H ILE 18 3.765 24.898 2.733 119 HA ILE 18 HA ILE 18 3.928 27.552 3.805 120 HB ILE 18 HB ILE 18 4.492 26.526 1.021 121 HG12 ILE 18 HG12 ILE 18 6.897 27.107 1.936 122 HG13 ILE 18 HG13 ILE 18 6.127 26.879 3.502 123 HG21 ILE 18 HG21 ILE 18 5.687 28.648 0.690 124 HG22 ILE 18 HG22 ILE 18 3.962 28.891 0.959 125 HG23 ILE 18 HG23 ILE 18 5.109 29.204 2.261 126 HD11 ILE 18 HD11 ILE 18 5.922 24.806 1.354 127 HD12 ILE 18 HD12 ILE 18 7.313 24.886 2.437 128 HD13 ILE 18 HD13 ILE 18 5.696 24.630 3.094 129 H LYS 19 H LYS 19 1.854 25.876 1.518 130 HA LYS 19 HA LYS 19 0.540 28.170 0.500 131 HB2 LYS 19 HB2 LYS 19 0.307 25.288 0.258 132 HB3 LYS 19 HB3 LYS 19 -1.274 26.054 0.338 133 HG2 LYS 19 HG2 LYS 19 -0.466 25.768 -1.964 134 HG3 LYS 19 HG3 LYS 19 -0.737 27.461 -1.545 135 HD2 LYS 19 HD2 LYS 19 1.574 27.887 -1.351 136 HD3 LYS 19 HD3 LYS 19 1.968 26.167 -1.323 137 HE2 LYS 19 HE2 LYS 19 0.558 27.218 -3.713 138 HE3 LYS 19 HE3 LYS 19 2.251 27.665 -3.505 139 HZ1 LYS 19 HZ1 LYS 19 1.917 25.621 -4.822 140 HZ2 LYS 19 HZ2 LYS 19 1.246 24.872 -3.462 141 HZ3 LYS 19 HZ3 LYS 19 2.863 25.369 -3.442 142 H ASN 20 H ASN 20 0.098 26.211 3.348 143 HA ASN 20 HA ASN 20 -2.459 27.459 3.968 144 HB2 ASN 20 HB2 ASN 20 -0.899 25.160 5.035 145 HB3 ASN 20 HB3 ASN 20 -1.974 25.993 6.154 146 HD21 ASN 20 HD21 ASN 20 -2.272 25.284 2.698 147 HD22 ASN 20 HD22 ASN 20 -3.750 24.399 2.831 148 H ALA 21 H ALA 21 0.896 27.561 4.958 149 HA ALA 21 HA ALA 21 0.433 30.059 6.338 150 HB1 ALA 21 HB1 ALA 21 1.889 28.905 8.297 151 HB2 ALA 21 HB2 ALA 21 0.130 29.038 8.322 152 HB3 ALA 21 HB3 ALA 21 0.894 27.541 7.789 153 H LYS 22 H LYS 22 1.768 30.499 4.378 154 HA LYS 22 HA LYS 22 4.416 29.585 4.124 155 HB2 LYS 22 HB2 LYS 22 4.696 31.718 2.744 156 HB3 LYS 22 HB3 LYS 22 3.470 30.577 2.210 157 HG2 LYS 22 HG2 LYS 22 1.716 31.926 3.029 158 HG3 LYS 22 HG3 LYS 22 2.830 32.945 3.944 159 HD2 LYS 22 HD2 LYS 22 3.833 33.682 1.793 160 HD3 LYS 22 HD3 LYS 22 2.594 32.758 0.941 161 HE2 LYS 22 HE2 LYS 22 1.791 34.771 2.997 162 HE3 LYS 22 HE3 LYS 22 2.265 35.312 1.388 163 HZ1 LYS 22 HZ1 LYS 22 -0.155 34.046 2.240 164 HZ2 LYS 22 HZ2 LYS 22 0.538 33.262 0.911 165 HZ3 LYS 22 HZ3 LYS 22 0.167 34.910 0.822 166 H VAL 23 H VAL 23 5.468 29.685 6.107 167 HA VAL 23 HA VAL 23 5.682 32.179 7.542 168 HB VAL 23 HB VAL 23 7.515 29.917 8.145 169 HG11 VAL 23 HG11 VAL 23 7.743 31.143 9.982 170 HG12 VAL 23 HG12 VAL 23 6.468 32.240 9.448 171 HG13 VAL 23 HG13 VAL 23 6.060 30.803 10.386 172 HG21 VAL 23 HG21 VAL 23 4.529 29.788 8.348 173 HG22 VAL 23 HG22 VAL 23 5.656 28.570 7.752 174 HG23 VAL 23 HG23 VAL 23 5.555 28.907 9.481 175 H CYS 24 H CYS 24 8.069 32.675 8.319 176 HA CYS 24 HA CYS 24 9.417 33.936 6.312 177 HB2 CYS 24 HB2 CYS 24 10.811 32.673 8.677 178 HB3 CYS 24 HB3 CYS 24 11.300 34.113 7.789 179 H VAL 25 H VAL 25 10.683 30.937 7.769 180 HA VAL 25 HA VAL 25 11.940 30.311 5.188 181 HB VAL 25 HB VAL 25 12.684 28.635 7.472 182 HG11 VAL 25 HG11 VAL 25 13.735 29.368 5.017 183 HG12 VAL 25 HG12 VAL 25 14.773 30.181 6.189 184 HG13 VAL 25 HG13 VAL 25 14.549 28.433 6.270 185 HG21 VAL 25 HG21 VAL 25 13.100 31.610 7.563 186 HG22 VAL 25 HG22 VAL 25 12.449 30.554 8.816 187 HG23 VAL 25 HG23 VAL 25 14.163 30.484 8.408 188 H TYR 26 H TYR 26 12.377 27.648 5.401 189 HA TYR 26 HA TYR 26 10.061 26.483 4.463 190 HB2 TYR 26 HB2 TYR 26 12.370 25.113 5.856 191 HB3 TYR 26 HB3 TYR 26 11.168 24.311 4.851 192 HD1 TYR 26 HD1 TYR 26 14.126 26.456 4.871 193 HD2 TYR 26 HD2 TYR 26 11.180 24.598 2.427 194 HE1 TYR 26 HE1 TYR 26 15.511 26.887 2.884 195 HE2 TYR 26 HE2 TYR 26 12.556 25.023 0.434 196 HH TYR 26 HH TYR 26 15.737 26.581 0.695 197 H ALA 27 H ALA 27 11.414 26.253 7.746 198 HA ALA 27 HA ALA 27 9.110 24.829 8.730 199 HB1 ALA 27 HB1 ALA 27 10.253 25.150 10.957 200 HB2 ALA 27 HB2 ALA 27 11.173 24.262 9.741 201 HB3 ALA 27 HB3 ALA 27 11.555 25.951 10.076 202 H VAL 28 H VAL 28 10.352 27.320 10.760 203 HA VAL 28 HA VAL 28 8.190 29.170 10.189 204 HB VAL 28 HB VAL 28 8.406 27.856 12.902 205 HG11 VAL 28 HG11 VAL 28 6.029 29.308 12.692 206 HG12 VAL 28 HG12 VAL 28 7.443 29.707 13.670 207 HG13 VAL 28 HG13 VAL 28 7.282 30.364 12.040 208 HG21 VAL 28 HG21 VAL 28 6.043 27.127 12.339 209 HG22 VAL 28 HG22 VAL 28 6.407 27.574 10.672 210 HG23 VAL 28 HG23 VAL 28 7.342 26.310 11.469 211 H CYS 29 H CYS 29 10.190 30.350 9.656 212 HA CYS 29 HA CYS 29 11.787 31.912 10.087 213 HB2 CYS 29 HB2 CYS 29 10.294 32.248 12.696 214 HB3 CYS 29 HB3 CYS 29 11.382 33.419 11.956 215 H VAL 30 H VAL 30 12.110 29.092 11.083 216 HA VAL 30 HA VAL 30 14.516 29.596 12.635 217 HB VAL 30 HB VAL 30 14.003 28.005 14.382 218 HG11 VAL 30 HG11 VAL 30 13.388 30.333 14.769 219 HG12 VAL 30 HG12 VAL 30 11.791 30.034 14.079 220 HG13 VAL 30 HG13 VAL 30 12.267 29.240 15.581 221 HG21 VAL 30 HG21 VAL 30 12.492 26.412 14.055 222 HG22 VAL 30 HG22 VAL 30 11.218 27.628 14.148 223 HG23 VAL 30 HG23 VAL 30 11.925 27.210 12.588 224 H SER 31 H SER 31 15.232 27.065 13.299 225 HA SER 31 HA SER 31 15.012 25.452 10.864 226 HB2 SER 31 HB2 SER 31 17.603 25.051 11.276 227 HB3 SER 31 HB3 SER 31 17.033 26.400 10.294 228 HG SER 31 HG SER 31 18.619 26.685 12.209 229 H HIS 32 H HIS 32 14.422 23.475 11.428 230 HA HIS 32 HA HIS 32 14.471 22.546 14.104 231 HB2 HIS 32 HB2 HIS 32 13.699 21.416 11.462 232 HB3 HIS 32 HB3 HIS 32 14.010 20.277 12.769 233 HD1 HIS 32 HD1 HIS 32 11.583 19.566 13.058 234 HD2 HIS 32 HD2 HIS 32 12.157 23.663 13.447 235 HE1 HIS 32 HE1 HIS 32 9.418 20.465 13.969 236 H LYS 33 H LYS 33 16.617 22.153 11.374 237 HA LYS 33 HA LYS 33 18.123 19.988 12.443 238 HB2 LYS 33 HB2 LYS 33 18.543 21.966 10.231 239 HB3 LYS 33 HB3 LYS 33 19.871 20.932 10.741 240 HG2 LYS 33 HG2 LYS 33 18.821 19.003 10.020 241 HG3 LYS 33 HG3 LYS 33 17.217 19.740 10.060 242 HD2 LYS 33 HD2 LYS 33 17.890 19.471 7.766 243 HD3 LYS 33 HD3 LYS 33 17.898 21.192 8.161 244 HE2 LYS 33 HE2 LYS 33 20.337 21.056 8.530 245 HE3 LYS 33 HE3 LYS 33 20.295 19.363 8.041 246 HZ1 LYS 33 HZ1 LYS 33 19.132 21.295 6.195 247 HZ2 LYS 33 HZ2 LYS 33 20.032 19.899 5.876 248 HZ3 LYS 33 HZ3 LYS 33 20.816 21.320 6.354 Start of MODEL 9 1 H1 GLY 1 H GLY 1 3.908 1.410 -3.049 2 HA2 GLY 1 HA2 GLY 1 6.154 1.511 -3.747 3 HA3 GLY 1 HA3 GLY 1 5.707 2.728 -4.934 4 H PHE 2 H PHE 2 7.329 2.225 -2.106 5 HA PHE 2 HA PHE 2 6.718 4.574 -0.645 6 HB2 PHE 2 HB2 PHE 2 7.797 2.779 0.507 7 HB3 PHE 2 HB3 PHE 2 9.127 2.754 -0.647 8 HD1 PHE 2 HD1 PHE 2 10.814 4.545 -0.630 9 HD2 PHE 2 HD2 PHE 2 7.762 4.308 2.327 10 HE1 PHE 2 HE1 PHE 2 12.093 6.078 0.808 11 HE2 PHE 2 HE2 PHE 2 9.035 5.840 3.769 12 HZ PHE 2 HZ PHE 2 11.204 6.728 3.011 13 H TRP 3 H TRP 3 9.420 3.784 -2.826 14 HA TRP 3 HA TRP 3 10.705 6.252 -2.740 15 HB2 TRP 3 HB2 TRP 3 11.418 4.004 -3.845 16 HB3 TRP 3 HB3 TRP 3 10.598 4.637 -5.270 17 HD1 TRP 3 HD1 TRP 3 12.424 5.456 -6.863 18 HE1 TRP 3 HE1 TRP 3 14.538 6.910 -6.655 19 HE3 TRP 3 HE3 TRP 3 12.438 6.147 -1.798 20 HZ2 TRP 3 HZ2 TRP 3 16.015 8.181 -4.613 21 HZ3 TRP 3 HZ3 TRP 3 14.237 7.494 -0.796 22 HH2 TRP 3 HH2 TRP 3 15.988 8.489 -2.177 23 H SER 4 H SER 4 7.731 5.380 -4.190 24 HA SER 4 HA SER 4 7.732 7.678 -5.990 25 HB2 SER 4 HB2 SER 4 6.071 5.227 -5.688 26 HB3 SER 4 HB3 SER 4 5.283 6.661 -6.346 27 HG SER 4 HG SER 4 6.483 5.077 -7.805 28 H SER 5 H SER 5 6.219 6.529 -3.040 29 HA SER 5 HA SER 5 4.394 8.761 -2.887 30 HB2 SER 5 HB2 SER 5 3.525 6.806 -1.914 31 HB3 SER 5 HB3 SER 5 5.036 6.439 -1.082 32 HG SER 5 HG SER 5 3.455 8.718 -0.500 33 H VAL 6 H VAL 6 7.627 8.141 -2.018 34 HA VAL 6 HA VAL 6 7.809 9.904 0.222 35 HB VAL 6 HB VAL 6 9.431 8.054 -0.259 36 HG11 VAL 6 HG11 VAL 6 11.071 8.232 -1.918 37 HG12 VAL 6 HG12 VAL 6 9.581 8.718 -2.729 38 HG13 VAL 6 HG13 VAL 6 10.735 9.941 -2.194 39 HG21 VAL 6 HG21 VAL 6 9.847 10.556 0.890 40 HG22 VAL 6 HG22 VAL 6 10.814 9.102 1.137 41 HG23 VAL 6 HG23 VAL 6 11.277 10.269 -0.102 42 H TRP 7 H TRP 7 8.469 10.207 -3.241 43 HA TRP 7 HA TRP 7 9.330 12.951 -2.978 44 HB2 TRP 7 HB2 TRP 7 8.745 11.303 -5.448 45 HB3 TRP 7 HB3 TRP 7 9.499 12.895 -5.438 46 HD1 TRP 7 HD1 TRP 7 10.507 9.514 -5.880 47 HE1 TRP 7 HE1 TRP 7 12.945 9.102 -5.164 48 HE3 TRP 7 HE3 TRP 7 11.263 13.741 -3.106 49 HZ2 TRP 7 HZ2 TRP 7 14.926 10.397 -3.627 50 HZ3 TRP 7 HZ3 TRP 7 13.458 14.078 -2.045 51 HH2 TRP 7 HH2 TRP 7 15.250 12.440 -2.301 52 H ASP 8 H ASP 8 6.454 11.219 -4.048 53 HA ASP 8 HA ASP 8 5.089 13.565 -4.959 54 HB2 ASP 8 HB2 ASP 8 4.439 11.497 -5.949 55 HB3 ASP 8 HB3 ASP 8 4.176 10.748 -4.376 56 H GLY 9 H GLY 9 4.943 11.561 -2.032 57 HA2 GLY 9 HA2 GLY 9 2.839 12.973 -0.785 58 HA3 GLY 9 HA3 GLY 9 4.014 11.953 0.031 59 H ALA 10 H ALA 10 6.364 13.226 -0.350 60 HA ALA 10 HA ALA 10 6.275 15.298 1.552 61 HB1 ALA 10 HB1 ALA 10 8.239 13.830 1.077 62 HB2 ALA 10 HB2 ALA 10 8.512 14.766 -0.394 63 HB3 ALA 10 HB3 ALA 10 8.621 15.549 1.183 64 H LYS 11 H LYS 11 6.655 15.370 -1.977 65 HA LYS 11 HA LYS 11 7.100 18.064 -2.363 66 HB2 LYS 11 HB2 LYS 11 7.209 16.494 -4.198 67 HB3 LYS 11 HB3 LYS 11 5.492 16.140 -4.051 68 HG2 LYS 11 HG2 LYS 11 6.249 18.960 -4.533 69 HG3 LYS 11 HG3 LYS 11 6.467 17.821 -5.864 70 HD2 LYS 11 HD2 LYS 11 4.054 17.083 -5.339 71 HD3 LYS 11 HD3 LYS 11 3.944 18.597 -4.438 72 HE2 LYS 11 HE2 LYS 11 4.483 19.862 -6.423 73 HE3 LYS 11 HE3 LYS 11 4.750 18.377 -7.336 74 HZ1 LYS 11 HZ1 LYS 11 2.532 17.969 -7.502 75 HZ2 LYS 11 HZ2 LYS 11 2.482 19.659 -7.451 76 HZ3 LYS 11 HZ3 LYS 11 2.144 18.760 -6.058 77 H ASN 12 H ASN 12 4.004 16.388 -1.959 78 HA ASN 12 HA ASN 12 2.487 18.827 -2.200 79 HB2 ASN 12 HB2 ASN 12 1.804 16.320 -2.729 80 HB3 ASN 12 HB3 ASN 12 1.307 16.342 -1.039 81 HD21 ASN 12 HD21 ASN 12 -0.856 16.260 -1.347 82 HD22 ASN 12 HD22 ASN 12 -1.770 17.508 -2.117 83 H VAL 13 H VAL 13 3.740 16.812 0.375 84 HA VAL 13 HA VAL 13 2.246 17.897 2.505 85 HB VAL 13 HB VAL 13 4.875 16.457 2.365 86 HG11 VAL 13 HG11 VAL 13 3.647 17.800 4.753 87 HG12 VAL 13 HG12 VAL 13 4.716 16.405 4.914 88 HG13 VAL 13 HG13 VAL 13 5.309 17.890 4.168 89 HG21 VAL 13 HG21 VAL 13 3.595 14.662 2.633 90 HG22 VAL 13 HG22 VAL 13 2.919 15.329 4.119 91 HG23 VAL 13 HG23 VAL 13 2.167 15.695 2.566 92 H GLY 14 H GLY 14 5.322 18.834 1.037 93 HA2 GLY 14 HA2 GLY 14 5.877 20.881 2.966 94 HA3 GLY 14 HA3 GLY 14 6.708 20.636 1.437 95 H THR 15 H THR 15 4.867 20.992 -0.451 96 HA THR 15 HA THR 15 4.593 23.754 -0.652 97 HB THR 15 HB THR 15 4.512 22.141 -2.568 98 HG1 THR 15 HG1 THR 15 3.508 23.653 -3.699 99 HG21 THR 15 HG21 THR 15 1.588 21.847 -1.918 100 HG22 THR 15 HG22 THR 15 2.790 20.658 -1.416 101 HG23 THR 15 HG23 THR 15 2.533 20.984 -3.130 102 H ALA 16 H ALA 16 2.407 21.346 0.652 103 HA ALA 16 HA ALA 16 0.097 22.982 0.777 104 HB1 ALA 16 HB1 ALA 16 0.918 20.461 2.182 105 HB2 ALA 16 HB2 ALA 16 -0.601 21.277 2.553 106 HB3 ALA 16 HB3 ALA 16 -0.296 20.682 0.922 107 H ILE 17 H ILE 17 2.336 21.964 3.366 108 HA ILE 17 HA ILE 17 1.333 23.486 5.426 109 HB ILE 17 HB ILE 17 4.246 22.891 4.892 110 HG12 ILE 17 HG12 ILE 17 2.482 21.372 6.782 111 HG13 ILE 17 HG13 ILE 17 2.454 20.991 5.063 112 HG21 ILE 17 HG21 ILE 17 2.825 23.693 7.427 113 HG22 ILE 17 HG22 ILE 17 4.495 23.135 7.339 114 HG23 ILE 17 HG23 ILE 17 4.025 24.636 6.543 115 HD11 ILE 17 HD11 ILE 17 4.724 20.737 6.998 116 HD12 ILE 17 HD12 ILE 17 3.981 19.495 5.990 117 HD13 ILE 17 HD13 ILE 17 4.980 20.747 5.254 118 H ILE 18 H ILE 18 3.460 24.478 2.808 119 HA ILE 18 HA ILE 18 3.927 27.098 3.904 120 HB ILE 18 HB ILE 18 4.475 26.009 1.140 121 HG12 ILE 18 HG12 ILE 18 6.280 26.425 3.533 122 HG13 ILE 18 HG13 ILE 18 5.756 24.875 2.886 123 HG21 ILE 18 HG21 ILE 18 5.384 28.576 2.435 124 HG22 ILE 18 HG22 ILE 18 5.941 27.962 0.880 125 HG23 ILE 18 HG23 ILE 18 4.253 28.426 1.091 126 HD11 ILE 18 HD11 ILE 18 6.905 25.567 0.731 127 HD12 ILE 18 HD12 ILE 18 7.650 26.855 1.678 128 HD13 ILE 18 HD13 ILE 18 7.937 25.169 2.105 129 H LYS 19 H LYS 19 1.723 25.640 1.607 130 HA LYS 19 HA LYS 19 0.756 27.904 0.315 131 HB2 LYS 19 HB2 LYS 19 0.227 25.471 -0.185 132 HB3 LYS 19 HB3 LYS 19 -0.949 25.549 1.121 133 HG2 LYS 19 HG2 LYS 19 -1.961 25.861 -1.095 134 HG3 LYS 19 HG3 LYS 19 -2.192 27.257 -0.040 135 HD2 LYS 19 HD2 LYS 19 -1.124 28.600 -1.462 136 HD3 LYS 19 HD3 LYS 19 0.249 27.495 -1.568 137 HE2 LYS 19 HE2 LYS 19 -0.437 27.381 -3.728 138 HE3 LYS 19 HE3 LYS 19 -1.485 26.131 -3.060 139 HZ1 LYS 19 HZ1 LYS 19 -2.283 28.970 -3.394 140 HZ2 LYS 19 HZ2 LYS 19 -3.278 27.684 -2.930 141 HZ3 LYS 19 HZ3 LYS 19 -2.650 27.744 -4.500 142 H ASN 20 H ASN 20 -0.088 26.548 3.455 143 HA ASN 20 HA ASN 20 -2.144 28.559 3.881 144 HB2 ASN 20 HB2 ASN 20 -1.266 26.080 5.270 145 HB3 ASN 20 HB3 ASN 20 -2.020 27.330 6.255 146 HD21 ASN 20 HD21 ASN 20 -2.632 26.288 2.928 147 HD22 ASN 20 HD22 ASN 20 -4.294 25.883 3.178 148 H ALA 21 H ALA 21 1.143 27.863 4.830 149 HA ALA 21 HA ALA 21 1.286 29.711 6.985 150 HB1 ALA 21 HB1 ALA 21 3.060 28.362 7.230 151 HB2 ALA 21 HB2 ALA 21 3.148 28.000 5.506 152 HB3 ALA 21 HB3 ALA 21 3.862 29.486 6.133 153 H LYS 22 H LYS 22 1.553 29.999 3.538 154 HA LYS 22 HA LYS 22 2.893 32.533 3.543 155 HB2 LYS 22 HB2 LYS 22 1.439 30.953 1.429 156 HB3 LYS 22 HB3 LYS 22 2.081 32.559 1.112 157 HG2 LYS 22 HG2 LYS 22 3.758 30.276 2.120 158 HG3 LYS 22 HG3 LYS 22 3.547 30.657 0.410 159 HD2 LYS 22 HD2 LYS 22 4.428 32.793 2.304 160 HD3 LYS 22 HD3 LYS 22 5.597 31.605 1.723 161 HE2 LYS 22 HE2 LYS 22 3.826 33.170 -0.136 162 HE3 LYS 22 HE3 LYS 22 5.393 33.772 0.403 163 HZ1 LYS 22 HZ1 LYS 22 4.771 31.662 -1.483 164 HZ2 LYS 22 HZ2 LYS 22 6.039 31.318 -0.418 165 HZ3 LYS 22 HZ3 LYS 22 6.115 32.687 -1.408 166 H VAL 23 H VAL 23 1.090 33.073 5.309 167 HA VAL 23 HA VAL 23 -1.433 33.947 4.299 168 HB VAL 23 HB VAL 23 -1.634 35.117 6.506 169 HG11 VAL 23 HG11 VAL 23 -2.600 33.063 6.658 170 HG12 VAL 23 HG12 VAL 23 -1.135 32.214 6.162 171 HG13 VAL 23 HG13 VAL 23 -1.286 32.826 7.809 172 HG21 VAL 23 HG21 VAL 23 0.960 35.334 6.616 173 HG22 VAL 23 HG22 VAL 23 0.037 35.097 8.100 174 HG23 VAL 23 HG23 VAL 23 0.875 33.735 7.356 175 H CYS 24 H CYS 24 -1.993 36.381 5.072 176 HA CYS 24 HA CYS 24 -0.479 38.043 3.266 177 HB2 CYS 24 HB2 CYS 24 -2.649 39.078 5.060 178 HB3 CYS 24 HB3 CYS 24 -2.226 39.580 3.426 179 H VAL 25 H VAL 25 -1.436 38.401 6.687 180 HA VAL 25 HA VAL 25 0.828 40.214 7.086 181 HB VAL 25 HB VAL 25 -1.664 40.572 7.911 182 HG11 VAL 25 HG11 VAL 25 -2.231 39.707 9.962 183 HG12 VAL 25 HG12 VAL 25 -1.327 38.357 9.273 184 HG13 VAL 25 HG13 VAL 25 -0.554 39.437 10.434 185 HG21 VAL 25 HG21 VAL 25 -0.838 42.329 9.060 186 HG22 VAL 25 HG22 VAL 25 0.265 41.330 10.006 187 HG23 VAL 25 HG23 VAL 25 0.694 41.801 8.362 188 H TYR 26 H TYR 26 1.669 39.991 9.513 189 HA TYR 26 HA TYR 26 3.348 37.827 9.633 190 HB2 TYR 26 HB2 TYR 26 2.245 39.157 12.106 191 HB3 TYR 26 HB3 TYR 26 3.836 38.438 11.883 192 HD1 TYR 26 HD1 TYR 26 1.775 41.393 11.369 193 HD2 TYR 26 HD2 TYR 26 5.550 39.607 10.554 194 HE1 TYR 26 HE1 TYR 26 2.671 43.593 10.731 195 HE2 TYR 26 HE2 TYR 26 6.457 41.802 9.915 196 HH TYR 26 HH TYR 26 4.496 44.745 10.169 197 H ALA 27 H ALA 27 0.370 38.194 11.566 198 HA ALA 27 HA ALA 27 0.388 35.555 12.562 199 HB1 ALA 27 HB1 ALA 27 -2.036 36.034 13.088 200 HB2 ALA 27 HB2 ALA 27 -0.861 37.166 13.757 201 HB3 ALA 27 HB3 ALA 27 -1.797 37.608 12.329 202 H VAL 28 H VAL 28 -2.480 36.548 10.846 203 HA VAL 28 HA VAL 28 -2.039 34.727 8.641 204 HB VAL 28 HB VAL 28 -2.793 33.142 10.303 205 HG11 VAL 28 HG11 VAL 28 -5.379 34.619 10.615 206 HG12 VAL 28 HG12 VAL 28 -4.671 33.377 11.650 207 HG13 VAL 28 HG13 VAL 28 -3.992 35.006 11.633 208 HG21 VAL 28 HG21 VAL 28 -3.953 32.115 8.713 209 HG22 VAL 28 HG22 VAL 28 -5.340 33.164 9.005 210 HG23 VAL 28 HG23 VAL 28 -4.095 33.649 7.854 211 H CYS 29 H CYS 29 -2.271 37.135 7.991 212 HA CYS 29 HA CYS 29 -3.438 38.673 6.788 213 HB2 CYS 29 HB2 CYS 29 -4.429 36.353 5.928 214 HB3 CYS 29 HB3 CYS 29 -5.886 36.978 6.693 215 H VAL 30 H VAL 30 -3.673 38.444 9.744 216 HA VAL 30 HA VAL 30 -6.245 39.839 10.104 217 HB VAL 30 HB VAL 30 -4.868 38.916 12.531 218 HG11 VAL 30 HG11 VAL 30 -7.459 39.645 11.696 219 HG12 VAL 30 HG12 VAL 30 -7.539 37.955 12.198 220 HG13 VAL 30 HG13 VAL 30 -6.929 39.180 13.312 221 HG21 VAL 30 HG21 VAL 30 -4.310 37.033 11.135 222 HG22 VAL 30 HG22 VAL 30 -5.606 36.567 12.237 223 HG23 VAL 30 HG23 VAL 30 -5.970 36.927 10.549 224 H SER 31 H SER 31 -5.592 40.812 12.707 225 HA SER 31 HA SER 31 -3.326 42.608 12.254 226 HB2 SER 31 HB2 SER 31 -4.721 44.559 12.972 227 HB3 SER 31 HB3 SER 31 -5.205 43.881 11.418 228 HG SER 31 HG SER 31 -6.813 44.339 13.304 229 H HIS 32 H HIS 32 -2.300 41.395 13.899 230 HA HIS 32 HA HIS 32 -3.387 40.968 16.465 231 HB2 HIS 32 HB2 HIS 32 -0.675 40.825 15.249 232 HB3 HIS 32 HB3 HIS 32 -0.769 40.911 17.006 233 HD1 HIS 32 HD1 HIS 32 0.351 38.415 16.551 234 HD2 HIS 32 HD2 HIS 32 -3.709 38.893 15.814 235 HE1 HIS 32 HE1 HIS 32 -0.609 36.091 16.549 236 H LYS 33 H LYS 33 -1.676 43.658 15.033 237 HA LYS 33 HA LYS 33 -0.859 45.042 17.294 238 HB2 LYS 33 HB2 LYS 33 -0.256 45.697 15.005 239 HB3 LYS 33 HB3 LYS 33 -1.919 46.182 14.700 240 HG2 LYS 33 HG2 LYS 33 -1.729 47.911 16.419 241 HG3 LYS 33 HG3 LYS 33 -0.056 47.428 16.713 242 HD2 LYS 33 HD2 LYS 33 0.185 49.231 15.275 243 HD3 LYS 33 HD3 LYS 33 0.251 47.853 14.173 244 HE2 LYS 33 HE2 LYS 33 -2.447 48.430 14.344 245 HE3 LYS 33 HE3 LYS 33 -1.682 50.019 14.343 246 HZ1 LYS 33 HZ1 LYS 33 -2.134 48.348 12.169 247 HZ2 LYS 33 HZ2 LYS 33 -0.459 48.390 12.399 248 HZ3 LYS 33 HZ3 LYS 33 -1.319 49.831 12.182 Start of MODEL 10 1 H1 GLY 1 H GLY 1 3.498 2.025 -3.152 2 HA2 GLY 1 HA2 GLY 1 5.797 1.627 -3.996 3 HA3 GLY 1 HA3 GLY 1 5.493 2.926 -5.140 4 H PHE 2 H PHE 2 6.902 2.154 -2.235 5 HA PHE 2 HA PHE 2 6.448 4.486 -0.710 6 HB2 PHE 2 HB2 PHE 2 7.337 2.729 0.530 7 HB3 PHE 2 HB3 PHE 2 8.537 2.338 -0.697 8 HD1 PHE 2 HD1 PHE 2 10.581 2.448 0.380 9 HD2 PHE 2 HD2 PHE 2 7.764 5.591 0.929 10 HE1 PHE 2 HE1 PHE 2 12.269 3.740 1.620 11 HE2 PHE 2 HE2 PHE 2 9.447 6.888 2.170 12 HZ PHE 2 HZ PHE 2 11.703 5.963 2.516 13 H TRP 3 H TRP 3 9.239 3.564 -2.729 14 HA TRP 3 HA TRP 3 10.679 5.920 -2.508 15 HB2 TRP 3 HB2 TRP 3 10.576 3.683 -4.438 16 HB3 TRP 3 HB3 TRP 3 11.284 5.178 -5.045 17 HD1 TRP 3 HD1 TRP 3 12.560 2.153 -3.897 18 HE1 TRP 3 HE1 TRP 3 14.742 2.380 -2.551 19 HE3 TRP 3 HE3 TRP 3 12.304 7.133 -2.771 20 HZ2 TRP 3 HZ2 TRP 3 16.165 4.403 -1.190 21 HZ3 TRP 3 HZ3 TRP 3 14.116 8.137 -1.442 22 HH2 TRP 3 HH2 TRP 3 16.005 6.798 -0.669 23 H SER 4 H SER 4 7.746 5.317 -4.188 24 HA SER 4 HA SER 4 8.014 7.714 -5.835 25 HB2 SER 4 HB2 SER 4 6.213 5.344 -5.829 26 HB3 SER 4 HB3 SER 4 5.554 6.858 -6.448 27 HG SER 4 HG SER 4 6.555 5.627 -8.094 28 H SER 5 H SER 5 6.343 6.520 -3.018 29 HA SER 5 HA SER 5 4.484 8.709 -2.879 30 HB2 SER 5 HB2 SER 5 4.131 6.365 -1.921 31 HB3 SER 5 HB3 SER 5 5.212 6.850 -0.615 32 HG SER 5 HG SER 5 3.427 7.589 0.228 33 H VAL 6 H VAL 6 7.740 8.243 -2.035 34 HA VAL 6 HA VAL 6 7.841 10.068 0.176 35 HB VAL 6 HB VAL 6 9.505 8.198 -0.302 36 HG11 VAL 6 HG11 VAL 6 10.850 10.229 -2.058 37 HG12 VAL 6 HG12 VAL 6 11.249 8.524 -1.834 38 HG13 VAL 6 HG13 VAL 6 9.791 8.982 -2.716 39 HG21 VAL 6 HG21 VAL 6 11.422 10.146 0.176 40 HG22 VAL 6 HG22 VAL 6 9.919 10.862 0.759 41 HG23 VAL 6 HG23 VAL 6 10.454 9.303 1.386 42 H TRP 7 H TRP 7 8.463 10.257 -3.292 43 HA TRP 7 HA TRP 7 9.336 13.007 -3.139 44 HB2 TRP 7 HB2 TRP 7 8.658 11.358 -5.583 45 HB3 TRP 7 HB3 TRP 7 9.549 12.877 -5.556 46 HD1 TRP 7 HD1 TRP 7 10.297 9.475 -6.113 47 HE1 TRP 7 HE1 TRP 7 12.671 8.823 -5.363 48 HE3 TRP 7 HE3 TRP 7 11.320 13.472 -3.095 49 HZ2 TRP 7 HZ2 TRP 7 14.708 9.866 -3.710 50 HZ3 TRP 7 HZ3 TRP 7 13.504 13.569 -1.966 51 HH2 TRP 7 HH2 TRP 7 15.162 11.802 -2.268 52 H ASP 8 H ASP 8 6.434 11.243 -4.070 53 HA ASP 8 HA ASP 8 5.058 13.580 -5.015 54 HB2 ASP 8 HB2 ASP 8 4.520 11.366 -5.913 55 HB3 ASP 8 HB3 ASP 8 4.010 10.829 -4.315 56 H GLY 9 H GLY 9 4.911 11.568 -2.090 57 HA2 GLY 9 HA2 GLY 9 2.826 12.995 -0.831 58 HA3 GLY 9 HA3 GLY 9 3.995 11.962 -0.022 59 H ALA 10 H ALA 10 6.356 13.224 -0.421 60 HA ALA 10 HA ALA 10 6.299 15.280 1.497 61 HB1 ALA 10 HB1 ALA 10 8.493 14.691 -0.486 62 HB2 ALA 10 HB2 ALA 10 8.651 15.561 1.040 63 HB3 ALA 10 HB3 ALA 10 8.257 13.842 1.042 64 H LYS 11 H LYS 11 6.656 15.387 -2.035 65 HA LYS 11 HA LYS 11 7.096 18.083 -2.399 66 HB2 LYS 11 HB2 LYS 11 7.200 16.567 -4.261 67 HB3 LYS 11 HB3 LYS 11 5.501 16.151 -4.084 68 HG2 LYS 11 HG2 LYS 11 4.782 18.182 -4.954 69 HG3 LYS 11 HG3 LYS 11 6.337 18.966 -4.662 70 HD2 LYS 11 HD2 LYS 11 7.367 17.670 -6.420 71 HD3 LYS 11 HD3 LYS 11 5.883 16.744 -6.653 72 HE2 LYS 11 HE2 LYS 11 5.927 18.357 -8.379 73 HE3 LYS 11 HE3 LYS 11 4.752 18.936 -7.199 74 HZ1 LYS 11 HZ1 LYS 11 6.110 20.757 -7.858 75 HZ2 LYS 11 HZ2 LYS 11 7.535 19.894 -7.566 76 HZ3 LYS 11 HZ3 LYS 11 6.546 20.354 -6.274 77 H ASN 12 H ASN 12 4.001 16.406 -1.990 78 HA ASN 12 HA ASN 12 2.483 18.847 -2.197 79 HB2 ASN 12 HB2 ASN 12 1.795 16.342 -2.734 80 HB3 ASN 12 HB3 ASN 12 1.313 16.355 -1.040 81 HD21 ASN 12 HD21 ASN 12 0.918 18.083 -4.090 82 HD22 ASN 12 HD22 ASN 12 -0.688 18.635 -3.774 83 H VAL 13 H VAL 13 3.763 16.819 0.354 84 HA VAL 13 HA VAL 13 2.288 17.883 2.506 85 HB VAL 13 HB VAL 13 4.922 16.458 2.325 86 HG11 VAL 13 HG11 VAL 13 3.765 17.874 4.691 87 HG12 VAL 13 HG12 VAL 13 4.706 16.397 4.910 88 HG13 VAL 13 HG13 VAL 13 5.437 17.804 4.136 89 HG21 VAL 13 HG21 VAL 13 2.469 15.467 2.234 90 HG22 VAL 13 HG22 VAL 13 3.780 14.621 3.055 91 HG23 VAL 13 HG23 VAL 13 2.625 15.573 3.987 92 H GLY 14 H GLY 14 5.394 18.811 1.072 93 HA2 GLY 14 HA2 GLY 14 5.935 20.862 2.986 94 HA3 GLY 14 HA3 GLY 14 6.754 20.632 1.448 95 H THR 15 H THR 15 4.927 21.008 -0.432 96 HA THR 15 HA THR 15 4.634 23.762 -0.614 97 HB THR 15 HB THR 15 4.528 22.158 -2.536 98 HG1 THR 15 HG1 THR 15 2.528 24.149 -2.201 99 HG21 THR 15 HG21 THR 15 2.843 20.649 -1.390 100 HG22 THR 15 HG22 THR 15 2.518 21.022 -3.083 101 HG23 THR 15 HG23 THR 15 1.620 21.848 -1.810 102 H ALA 16 H ALA 16 2.452 21.348 0.693 103 HA ALA 16 HA ALA 16 0.143 22.970 0.852 104 HB1 ALA 16 HB1 ALA 16 -0.254 20.683 1.039 105 HB2 ALA 16 HB2 ALA 16 1.011 20.464 2.249 106 HB3 ALA 16 HB3 ALA 16 -0.491 21.280 2.682 107 H ILE 17 H ILE 17 2.520 22.072 3.357 108 HA ILE 17 HA ILE 17 1.532 23.537 5.464 109 HB ILE 17 HB ILE 17 4.447 23.131 4.782 110 HG12 ILE 17 HG12 ILE 17 2.957 21.494 6.787 111 HG13 ILE 17 HG13 ILE 17 2.727 21.136 5.079 112 HG21 ILE 17 HG21 ILE 17 3.041 24.197 7.175 113 HG22 ILE 17 HG22 ILE 17 4.477 23.204 7.418 114 HG23 ILE 17 HG23 ILE 17 4.577 24.680 6.458 115 HD11 ILE 17 HD11 ILE 17 4.461 19.753 6.149 116 HD12 ILE 17 HD12 ILE 17 5.077 20.717 4.806 117 HD13 ILE 17 HD13 ILE 17 5.394 21.215 6.468 118 H ILE 18 H ILE 18 3.495 24.648 2.758 119 HA ILE 18 HA ILE 18 3.822 27.300 3.823 120 HB ILE 18 HB ILE 18 4.326 26.260 1.032 121 HG12 ILE 18 HG12 ILE 18 6.218 26.731 3.347 122 HG13 ILE 18 HG13 ILE 18 5.711 25.160 2.737 123 HG21 ILE 18 HG21 ILE 18 5.932 28.500 1.647 124 HG22 ILE 18 HG22 ILE 18 4.661 28.368 0.432 125 HG23 ILE 18 HG23 ILE 18 4.270 28.917 2.062 126 HD11 ILE 18 HD11 ILE 18 6.766 26.666 0.573 127 HD12 ILE 18 HD12 ILE 18 7.900 26.735 1.923 128 HD13 ILE 18 HD13 ILE 18 7.376 25.175 1.291 129 H LYS 19 H LYS 19 1.671 25.700 1.557 130 HA LYS 19 HA LYS 19 0.502 27.893 0.323 131 HB2 LYS 19 HB2 LYS 19 -0.348 25.109 0.913 132 HB3 LYS 19 HB3 LYS 19 -1.613 26.247 0.466 133 HG2 LYS 19 HG2 LYS 19 0.830 25.556 -1.153 134 HG3 LYS 19 HG3 LYS 19 -0.833 25.067 -1.485 135 HD2 LYS 19 HD2 LYS 19 -0.797 27.890 -1.202 136 HD3 LYS 19 HD3 LYS 19 0.521 27.440 -2.286 137 HE2 LYS 19 HE2 LYS 19 -0.968 26.302 -3.752 138 HE3 LYS 19 HE3 LYS 19 -2.294 26.418 -2.597 139 HZ1 LYS 19 HZ1 LYS 19 -2.770 28.104 -4.062 140 HZ2 LYS 19 HZ2 LYS 19 -1.148 28.509 -4.319 141 HZ3 LYS 19 HZ3 LYS 19 -1.910 28.947 -2.873 142 H ASN 20 H ASN 20 -0.018 26.571 3.520 143 HA ASN 20 HA ASN 20 -2.212 28.447 4.003 144 HB2 ASN 20 HB2 ASN 20 -1.263 25.942 5.299 145 HB3 ASN 20 HB3 ASN 20 -2.040 27.139 6.330 146 HD21 ASN 20 HD21 ASN 20 -2.611 26.056 3.001 147 HD22 ASN 20 HD22 ASN 20 -4.275 25.656 3.237 148 H ALA 21 H ALA 21 1.089 27.760 4.941 149 HA ALA 21 HA ALA 21 1.066 29.948 6.884 150 HB1 ALA 21 HB1 ALA 21 2.110 27.960 7.687 151 HB2 ALA 21 HB2 ALA 21 3.126 27.843 6.250 152 HB3 ALA 21 HB3 ALA 21 3.379 29.152 7.405 153 H LYS 22 H LYS 22 0.892 30.354 3.950 154 HA LYS 22 HA LYS 22 3.232 31.175 2.753 155 HB2 LYS 22 HB2 LYS 22 0.707 31.191 1.954 156 HB3 LYS 22 HB3 LYS 22 0.805 32.883 2.424 157 HG2 LYS 22 HG2 LYS 22 1.644 33.302 0.419 158 HG3 LYS 22 HG3 LYS 22 3.097 32.430 0.912 159 HD2 LYS 22 HD2 LYS 22 2.625 31.137 -0.872 160 HD3 LYS 22 HD3 LYS 22 1.480 30.369 0.230 161 HE2 LYS 22 HE2 LYS 22 0.365 30.874 -1.843 162 HE3 LYS 22 HE3 LYS 22 -0.271 31.921 -0.575 163 HZ1 LYS 22 HZ1 LYS 22 0.415 33.725 -1.650 164 HZ2 LYS 22 HZ2 LYS 22 0.672 32.734 -2.995 165 HZ3 LYS 22 HZ3 LYS 22 1.953 33.086 -1.947 166 H VAL 23 H VAL 23 1.467 32.682 5.334 167 HA VAL 23 HA VAL 23 2.426 35.300 5.165 168 HB VAL 23 HB VAL 23 2.008 35.428 7.615 169 HG11 VAL 23 HG11 VAL 23 -0.276 33.979 6.325 170 HG12 VAL 23 HG12 VAL 23 -0.312 35.361 7.422 171 HG13 VAL 23 HG13 VAL 23 0.231 35.569 5.757 172 HG21 VAL 23 HG21 VAL 23 1.856 33.629 8.927 173 HG22 VAL 23 HG22 VAL 23 0.765 32.808 7.811 174 HG23 VAL 23 HG23 VAL 23 2.509 32.713 7.568 175 H CYS 24 H CYS 24 3.791 36.089 7.267 176 HA CYS 24 HA CYS 24 6.456 35.240 6.716 177 HB2 CYS 24 HB2 CYS 24 5.606 36.930 9.065 178 HB3 CYS 24 HB3 CYS 24 7.149 36.944 8.216 179 H VAL 25 H VAL 25 4.764 35.339 9.855 180 HA VAL 25 HA VAL 25 6.468 33.190 10.829 181 HB VAL 25 HB VAL 25 5.200 33.591 12.994 182 HG11 VAL 25 HG11 VAL 25 6.649 35.981 11.866 183 HG12 VAL 25 HG12 VAL 25 6.509 35.519 13.563 184 HG13 VAL 25 HG13 VAL 25 7.445 34.520 12.450 185 HG21 VAL 25 HG21 VAL 25 3.796 35.441 13.238 186 HG22 VAL 25 HG22 VAL 25 4.315 36.156 11.712 187 HG23 VAL 25 HG23 VAL 25 3.285 34.724 11.710 188 H TYR 26 H TYR 26 5.071 31.738 12.508 189 HA TYR 26 HA TYR 26 3.583 29.986 10.866 190 HB2 TYR 26 HB2 TYR 26 3.580 30.053 13.887 191 HB3 TYR 26 HB3 TYR 26 3.235 28.673 12.850 192 HD1 TYR 26 HD1 TYR 26 5.854 30.763 14.305 193 HD2 TYR 26 HD2 TYR 26 5.043 27.489 11.712 194 HE1 TYR 26 HE1 TYR 26 8.225 30.115 14.392 195 HE2 TYR 26 HE2 TYR 26 7.411 26.831 11.792 196 HH TYR 26 HH TYR 26 9.356 27.145 13.397 197 H ALA 27 H ALA 27 2.696 32.685 12.847 198 HA ALA 27 HA ALA 27 -0.101 32.005 12.986 199 HB1 ALA 27 HB1 ALA 27 -0.233 34.453 13.802 200 HB2 ALA 27 HB2 ALA 27 0.584 33.260 14.813 201 HB3 ALA 27 HB3 ALA 27 1.529 34.372 13.823 202 H VAL 28 H VAL 28 0.616 35.267 12.167 203 HA VAL 28 HA VAL 28 -0.056 34.951 9.361 204 HB VAL 28 HB VAL 28 -1.814 36.710 11.064 205 HG11 VAL 28 HG11 VAL 28 -2.856 37.299 9.161 206 HG12 VAL 28 HG12 VAL 28 -1.356 36.776 8.391 207 HG13 VAL 28 HG13 VAL 28 -2.736 35.680 8.473 208 HG21 VAL 28 HG21 VAL 28 -2.210 34.431 11.763 209 HG22 VAL 28 HG22 VAL 28 -3.564 34.985 10.779 210 HG23 VAL 28 HG23 VAL 28 -2.353 33.907 10.086 211 H CYS 29 H CYS 29 2.293 35.854 10.537 212 HA CYS 29 HA CYS 29 3.801 37.557 10.490 213 HB2 CYS 29 HB2 CYS 29 2.799 37.531 8.082 214 HB3 CYS 29 HB3 CYS 29 2.023 39.032 8.575 215 H VAL 30 H VAL 30 1.357 37.709 12.261 216 HA VAL 30 HA VAL 30 1.582 40.578 12.892 217 HB VAL 30 HB VAL 30 -0.746 40.493 13.760 218 HG11 VAL 30 HG11 VAL 30 0.109 40.477 11.010 219 HG12 VAL 30 HG12 VAL 30 -1.544 39.876 11.157 220 HG13 VAL 30 HG13 VAL 30 -1.121 41.465 11.797 221 HG21 VAL 30 HG21 VAL 30 -1.431 38.379 14.186 222 HG22 VAL 30 HG22 VAL 30 -2.021 38.477 12.527 223 HG23 VAL 30 HG23 VAL 30 -0.481 37.689 12.870 224 H SER 31 H SER 31 0.941 37.325 14.131 225 HA SER 31 HA SER 31 1.661 38.253 16.828 226 HB2 SER 31 HB2 SER 31 0.750 35.783 17.306 227 HB3 SER 31 HB3 SER 31 -0.329 37.172 17.179 228 HG SER 31 HG SER 31 -0.816 35.198 15.881 229 H HIS 32 H HIS 32 3.868 38.173 15.509 230 HA HIS 32 HA HIS 32 5.163 35.761 15.016 231 HB2 HIS 32 HB2 HIS 32 6.316 38.394 15.956 232 HB3 HIS 32 HB3 HIS 32 7.274 37.052 15.340 233 HD1 HIS 32 HD1 HIS 32 8.127 38.155 13.237 234 HD2 HIS 32 HD2 HIS 32 3.989 38.308 13.579 235 HE1 HIS 32 HE1 HIS 32 7.300 39.000 11.018 236 H LYS 33 H LYS 33 4.384 37.298 18.007 237 HA LYS 33 HA LYS 33 6.269 36.329 19.760 238 HB2 LYS 33 HB2 LYS 33 3.309 36.772 20.083 239 HB3 LYS 33 HB3 LYS 33 4.313 36.237 21.424 240 HG2 LYS 33 HG2 LYS 33 5.295 38.595 19.963 241 HG3 LYS 33 HG3 LYS 33 3.793 38.815 20.864 242 HD2 LYS 33 HD2 LYS 33 5.210 39.259 22.568 243 HD3 LYS 33 HD3 LYS 33 5.252 37.499 22.704 244 HE2 LYS 33 HE2 LYS 33 7.324 37.344 21.669 245 HE3 LYS 33 HE3 LYS 33 7.169 38.922 20.900 246 HZ1 LYS 33 HZ1 LYS 33 7.095 39.197 23.713 247 HZ2 LYS 33 HZ2 LYS 33 8.189 39.863 22.609 248 HZ3 LYS 33 HZ3 LYS 33 8.476 38.330 23.264 Start of MODEL 11 1 H1 GLY 1 H GLY 1 3.183 2.243 -4.296 2 HA2 GLY 1 HA2 GLY 1 5.292 1.594 -3.660 3 HA3 GLY 1 HA3 GLY 1 5.896 2.578 -4.985 4 H PHE 2 H PHE 2 6.904 2.166 -2.223 5 HA PHE 2 HA PHE 2 6.454 4.505 -0.699 6 HB2 PHE 2 HB2 PHE 2 7.333 2.755 0.554 7 HB3 PHE 2 HB3 PHE 2 8.522 2.338 -0.676 8 HD1 PHE 2 HD1 PHE 2 10.584 2.449 0.355 9 HD2 PHE 2 HD2 PHE 2 7.786 5.599 0.959 10 HE1 PHE 2 HE1 PHE 2 12.294 3.730 1.576 11 HE2 PHE 2 HE2 PHE 2 9.491 6.885 2.179 12 HZ PHE 2 HZ PHE 2 11.749 5.951 2.488 13 H TRP 3 H TRP 3 9.229 3.556 -2.727 14 HA TRP 3 HA TRP 3 10.695 5.895 -2.515 15 HB2 TRP 3 HB2 TRP 3 10.559 3.655 -4.434 16 HB3 TRP 3 HB3 TRP 3 11.259 5.144 -5.065 17 HD1 TRP 3 HD1 TRP 3 12.562 2.133 -3.933 18 HE1 TRP 3 HE1 TRP 3 14.761 2.367 -2.617 19 HE3 TRP 3 HE3 TRP 3 12.302 7.111 -2.797 20 HZ2 TRP 3 HZ2 TRP 3 16.196 4.393 -1.274 21 HZ3 TRP 3 HZ3 TRP 3 14.129 8.119 -1.493 22 HH2 TRP 3 HH2 TRP 3 16.034 6.787 -0.748 23 H SER 4 H SER 4 7.738 5.334 -4.162 24 HA SER 4 HA SER 4 8.023 7.727 -5.815 25 HB2 SER 4 HB2 SER 4 6.917 5.402 -6.476 26 HB3 SER 4 HB3 SER 4 5.493 6.143 -5.747 27 HG SER 4 HG SER 4 7.060 7.227 -7.852 28 H SER 5 H SER 5 6.235 6.507 -3.053 29 HA SER 5 HA SER 5 4.452 8.733 -2.873 30 HB2 SER 5 HB2 SER 5 5.082 6.347 -1.213 31 HB3 SER 5 HB3 SER 5 4.337 7.719 -0.394 32 HG SER 5 HG SER 5 3.198 5.899 -1.996 33 H VAL 6 H VAL 6 7.710 8.246 -2.051 34 HA VAL 6 HA VAL 6 7.842 10.074 0.154 35 HB VAL 6 HB VAL 6 9.490 8.196 -0.332 36 HG11 VAL 6 HG11 VAL 6 9.751 8.984 -2.756 37 HG12 VAL 6 HG12 VAL 6 10.847 10.203 -2.103 38 HG13 VAL 6 HG13 VAL 6 11.207 8.489 -1.892 39 HG21 VAL 6 HG21 VAL 6 9.915 10.846 0.731 40 HG22 VAL 6 HG22 VAL 6 10.490 9.290 1.330 41 HG23 VAL 6 HG23 VAL 6 11.416 10.161 0.106 42 H TRP 7 H TRP 7 8.426 10.257 -3.320 43 HA TRP 7 HA TRP 7 9.319 13.001 -3.179 44 HB2 TRP 7 HB2 TRP 7 8.605 11.351 -5.613 45 HB3 TRP 7 HB3 TRP 7 9.503 12.867 -5.599 46 HD1 TRP 7 HD1 TRP 7 10.235 9.467 -6.167 47 HE1 TRP 7 HE1 TRP 7 12.614 8.805 -5.439 48 HE3 TRP 7 HE3 TRP 7 11.298 13.451 -3.145 49 HZ2 TRP 7 HZ2 TRP 7 14.668 9.836 -3.801 50 HZ3 TRP 7 HZ3 TRP 7 13.491 13.537 -2.034 51 HH2 TRP 7 HH2 TRP 7 15.140 11.765 -2.356 52 H ASP 8 H ASP 8 6.398 11.254 -4.085 53 HA ASP 8 HA ASP 8 5.027 13.604 -5.009 54 HB2 ASP 8 HB2 ASP 8 4.563 11.248 -5.799 55 HB3 ASP 8 HB3 ASP 8 3.800 10.953 -4.239 56 H GLY 9 H GLY 9 4.907 11.584 -2.090 57 HA2 GLY 9 HA2 GLY 9 2.833 13.006 -0.807 58 HA3 GLY 9 HA3 GLY 9 4.011 11.972 -0.012 59 H ALA 10 H ALA 10 6.367 13.235 -0.430 60 HA ALA 10 HA ALA 10 6.325 15.290 1.491 61 HB1 ALA 10 HB1 ALA 10 8.267 13.792 0.910 62 HB2 ALA 10 HB2 ALA 10 8.534 14.822 -0.497 63 HB3 ALA 10 HB3 ALA 10 8.656 15.499 1.127 64 H LYS 11 H LYS 11 6.664 15.398 -2.043 65 HA LYS 11 HA LYS 11 7.103 18.093 -2.408 66 HB2 LYS 11 HB2 LYS 11 7.203 16.602 -4.279 67 HB3 LYS 11 HB3 LYS 11 5.516 16.145 -4.080 68 HG2 LYS 11 HG2 LYS 11 4.737 18.048 -5.063 69 HG3 LYS 11 HG3 LYS 11 6.138 19.006 -4.577 70 HD2 LYS 11 HD2 LYS 11 7.487 17.649 -6.222 71 HD3 LYS 11 HD3 LYS 11 5.958 16.989 -6.808 72 HE2 LYS 11 HE2 LYS 11 6.353 19.949 -6.621 73 HE3 LYS 11 HE3 LYS 11 7.009 19.052 -7.990 74 HZ1 LYS 11 HZ1 LYS 11 4.937 19.654 -8.741 75 HZ2 LYS 11 HZ2 LYS 11 4.200 19.478 -7.230 76 HZ3 LYS 11 HZ3 LYS 11 4.621 18.109 -8.129 77 H ASN 12 H ASN 12 4.009 16.419 -1.982 78 HA ASN 12 HA ASN 12 2.492 18.861 -2.181 79 HB2 ASN 12 HB2 ASN 12 1.799 16.357 -2.712 80 HB3 ASN 12 HB3 ASN 12 1.327 16.370 -1.015 81 HD21 ASN 12 HD21 ASN 12 -0.803 16.512 -1.001 82 HD22 ASN 12 HD22 ASN 12 -1.742 17.679 -1.863 83 H VAL 13 H VAL 13 3.782 16.830 0.364 84 HA VAL 13 HA VAL 13 2.321 17.899 2.524 85 HB VAL 13 HB VAL 13 4.949 16.465 2.327 86 HG11 VAL 13 HG11 VAL 13 3.776 17.800 4.748 87 HG12 VAL 13 HG12 VAL 13 4.858 16.411 4.877 88 HG13 VAL 13 HG13 VAL 13 5.421 17.902 4.121 89 HG21 VAL 13 HG21 VAL 13 3.767 14.636 2.860 90 HG22 VAL 13 HG22 VAL 13 2.827 15.483 4.090 91 HG23 VAL 13 HG23 VAL 13 2.362 15.594 2.392 92 H GLY 14 H GLY 14 5.416 18.822 1.066 93 HA2 GLY 14 HA2 GLY 14 5.980 20.869 2.978 94 HA3 GLY 14 HA3 GLY 14 6.783 20.642 1.432 95 H THR 15 H THR 15 4.908 21.011 -0.419 96 HA THR 15 HA THR 15 4.621 23.775 -0.583 97 HB THR 15 HB THR 15 4.521 22.192 -2.520 98 HG1 THR 15 HG1 THR 15 2.222 23.856 -2.470 99 HG21 THR 15 HG21 THR 15 1.618 21.846 -1.792 100 HG22 THR 15 HG22 THR 15 2.854 20.656 -1.383 101 HG23 THR 15 HG23 THR 15 2.524 21.039 -3.072 102 H ALA 16 H ALA 16 2.444 21.334 0.689 103 HA ALA 16 HA ALA 16 0.127 22.933 0.869 104 HB1 ALA 16 HB1 ALA 16 0.100 20.482 1.029 105 HB2 ALA 16 HB2 ALA 16 0.911 20.586 2.593 106 HB3 ALA 16 HB3 ALA 16 -0.713 21.246 2.396 107 H ILE 17 H ILE 17 2.497 22.042 3.385 108 HA ILE 17 HA ILE 17 1.496 23.517 5.480 109 HB ILE 17 HB ILE 17 4.416 23.102 4.828 110 HG12 ILE 17 HG12 ILE 17 2.882 21.462 6.802 111 HG13 ILE 17 HG13 ILE 17 2.705 21.104 5.088 112 HG21 ILE 17 HG21 ILE 17 3.006 23.914 7.358 113 HG22 ILE 17 HG22 ILE 17 4.651 23.280 7.333 114 HG23 ILE 17 HG23 ILE 17 4.273 24.781 6.490 115 HD11 ILE 17 HD11 ILE 17 4.387 19.677 5.924 116 HD12 ILE 17 HD12 ILE 17 5.208 20.923 4.984 117 HD13 ILE 17 HD13 ILE 17 5.205 21.005 6.745 118 H ILE 18 H ILE 18 3.475 24.611 2.782 119 HA ILE 18 HA ILE 18 3.801 27.268 3.845 120 HB ILE 18 HB ILE 18 4.363 26.192 1.079 121 HG12 ILE 18 HG12 ILE 18 6.191 26.729 3.430 122 HG13 ILE 18 HG13 ILE 18 5.737 25.144 2.814 123 HG21 ILE 18 HG21 ILE 18 3.999 28.592 1.028 124 HG22 ILE 18 HG22 ILE 18 5.147 28.812 2.347 125 HG23 ILE 18 HG23 ILE 18 5.706 28.225 0.781 126 HD11 ILE 18 HD11 ILE 18 7.863 26.869 1.995 127 HD12 ILE 18 HD12 ILE 18 7.519 25.208 1.512 128 HD13 ILE 18 HD13 ILE 18 6.788 26.551 0.633 129 H LYS 19 H LYS 19 1.687 25.658 1.551 130 HA LYS 19 HA LYS 19 0.545 27.838 0.275 131 HB2 LYS 19 HB2 LYS 19 -0.018 25.055 0.557 132 HB3 LYS 19 HB3 LYS 19 -1.517 25.944 0.790 133 HG2 LYS 19 HG2 LYS 19 -1.190 25.291 -1.541 134 HG3 LYS 19 HG3 LYS 19 -1.230 27.046 -1.350 135 HD2 LYS 19 HD2 LYS 19 1.199 27.131 -1.457 136 HD3 LYS 19 HD3 LYS 19 1.272 25.372 -1.580 137 HE2 LYS 19 HE2 LYS 19 -0.148 27.140 -3.564 138 HE3 LYS 19 HE3 LYS 19 1.517 26.594 -3.753 139 HZ1 LYS 19 HZ1 LYS 19 0.131 24.309 -3.235 140 HZ2 LYS 19 HZ2 LYS 19 0.646 24.831 -4.760 141 HZ3 LYS 19 HZ3 LYS 19 -0.923 25.180 -4.232 142 H ASN 20 H ASN 20 -0.027 26.569 3.485 143 HA ASN 20 HA ASN 20 -2.167 28.533 3.909 144 HB2 ASN 20 HB2 ASN 20 -1.373 25.999 5.310 145 HB3 ASN 20 HB3 ASN 20 -2.334 27.210 6.155 146 HD21 ASN 20 HD21 ASN 20 -2.244 25.524 3.034 147 HD22 ASN 20 HD22 ASN 20 -3.950 25.267 2.932 148 H ALA 21 H ALA 21 1.049 27.631 4.935 149 HA ALA 21 HA ALA 21 1.076 29.762 6.943 150 HB1 ALA 21 HB1 ALA 21 1.935 27.457 7.476 151 HB2 ALA 21 HB2 ALA 21 3.271 27.785 6.372 152 HB3 ALA 21 HB3 ALA 21 3.052 28.780 7.811 153 H LYS 22 H LYS 22 1.038 30.300 4.055 154 HA LYS 22 HA LYS 22 3.696 31.208 3.381 155 HB2 LYS 22 HB2 LYS 22 2.292 32.315 1.451 156 HB3 LYS 22 HB3 LYS 22 2.595 30.582 1.459 157 HG2 LYS 22 HG2 LYS 22 0.263 31.182 0.903 158 HG3 LYS 22 HG3 LYS 22 0.403 30.141 2.322 159 HD2 LYS 22 HD2 LYS 22 -1.219 31.887 2.744 160 HD3 LYS 22 HD3 LYS 22 0.199 32.132 3.767 161 HE2 LYS 22 HE2 LYS 22 -0.406 34.259 2.904 162 HE3 LYS 22 HE3 LYS 22 1.040 33.747 2.034 163 HZ1 LYS 22 HZ1 LYS 22 -0.347 33.061 0.187 164 HZ2 LYS 22 HZ2 LYS 22 -0.619 34.691 0.547 165 HZ3 LYS 22 HZ3 LYS 22 -1.744 33.521 1.023 166 H VAL 23 H VAL 23 1.634 32.323 5.559 167 HA VAL 23 HA VAL 23 1.261 35.045 4.950 168 HB VAL 23 HB VAL 23 0.874 35.375 7.340 169 HG11 VAL 23 HG11 VAL 23 -0.306 32.821 6.254 170 HG12 VAL 23 HG12 VAL 23 -0.934 33.716 7.639 171 HG13 VAL 23 HG13 VAL 23 -0.937 34.453 6.036 172 HG21 VAL 23 HG21 VAL 23 1.067 33.355 8.845 173 HG22 VAL 23 HG22 VAL 23 2.040 32.609 7.577 174 HG23 VAL 23 HG23 VAL 23 2.591 34.094 8.353 175 H CYS 24 H CYS 24 2.572 36.760 5.035 176 HA CYS 24 HA CYS 24 5.372 36.356 5.596 177 HB2 CYS 24 HB2 CYS 24 4.131 39.027 5.006 178 HB3 CYS 24 HB3 CYS 24 5.737 38.438 4.590 179 H VAL 25 H VAL 25 2.696 38.197 6.998 180 HA VAL 25 HA VAL 25 4.414 38.864 9.293 181 HB VAL 25 HB VAL 25 1.787 40.153 9.196 182 HG11 VAL 25 HG11 VAL 25 4.232 40.579 10.394 183 HG12 VAL 25 HG12 VAL 25 4.162 41.831 9.152 184 HG13 VAL 25 HG13 VAL 25 2.882 41.712 10.359 185 HG21 VAL 25 HG21 VAL 25 3.776 40.612 6.982 186 HG22 VAL 25 HG22 VAL 25 2.080 40.153 6.832 187 HG23 VAL 25 HG23 VAL 25 2.510 41.763 7.409 188 H TYR 26 H TYR 26 2.565 39.383 11.211 189 HA TYR 26 HA TYR 26 2.060 36.938 12.371 190 HB2 TYR 26 HB2 TYR 26 0.518 39.506 12.792 191 HB3 TYR 26 HB3 TYR 26 0.523 38.128 13.886 192 HD1 TYR 26 HD1 TYR 26 2.301 41.088 12.788 193 HD2 TYR 26 HD2 TYR 26 2.598 37.546 15.126 194 HE1 TYR 26 HE1 TYR 26 4.261 42.023 13.943 195 HE2 TYR 26 HE2 TYR 26 4.558 38.471 16.288 196 HH TYR 26 HH TYR 26 6.336 40.177 15.826 197 H ALA 27 H ALA 27 -0.264 38.988 10.616 198 HA ALA 27 HA ALA 27 -2.301 36.953 10.693 199 HB1 ALA 27 HB1 ALA 27 -2.136 39.646 9.365 200 HB2 ALA 27 HB2 ALA 27 -3.520 38.569 9.178 201 HB3 ALA 27 HB3 ALA 27 -3.087 39.179 10.775 202 H VAL 28 H VAL 28 -1.750 38.671 7.721 203 HA VAL 28 HA VAL 28 -0.566 36.386 6.388 204 HB VAL 28 HB VAL 28 -2.829 35.679 6.228 205 HG11 VAL 28 HG11 VAL 28 -4.667 37.029 5.633 206 HG12 VAL 28 HG12 VAL 28 -3.745 37.975 6.802 207 HG13 VAL 28 HG13 VAL 28 -3.626 38.341 5.081 208 HG21 VAL 28 HG21 VAL 28 -2.748 35.214 4.041 209 HG22 VAL 28 HG22 VAL 28 -2.838 36.916 3.585 210 HG23 VAL 28 HG23 VAL 28 -1.286 36.201 4.018 211 H CYS 29 H CYS 29 1.115 37.869 5.966 212 HA CYS 29 HA CYS 29 2.257 39.451 4.794 213 HB2 CYS 29 HB2 CYS 29 0.115 38.593 2.878 214 HB3 CYS 29 HB3 CYS 29 1.218 39.893 2.435 215 H VAL 30 H VAL 30 -0.053 40.258 6.547 216 HA VAL 30 HA VAL 30 -0.086 43.048 5.731 217 HB VAL 30 HB VAL 30 -2.488 43.310 5.921 218 HG11 VAL 30 HG11 VAL 30 -1.573 42.815 3.714 219 HG12 VAL 30 HG12 VAL 30 -1.770 41.087 4.011 220 HG13 VAL 30 HG13 VAL 30 -3.188 42.130 3.896 221 HG21 VAL 30 HG21 VAL 30 -3.426 40.643 5.777 222 HG22 VAL 30 HG22 VAL 30 -2.338 40.749 7.161 223 HG23 VAL 30 HG23 VAL 30 -3.719 41.839 7.040 224 H SER 31 H SER 31 -1.819 44.103 7.510 225 HA SER 31 HA SER 31 -0.939 43.100 10.134 226 HB2 SER 31 HB2 SER 31 -0.759 45.507 10.856 227 HB3 SER 31 HB3 SER 31 0.451 45.007 9.674 228 HG SER 31 HG SER 31 -1.974 46.323 9.014 229 H HIS 32 H HIS 32 -2.921 42.158 10.573 230 HA HIS 32 HA HIS 32 -5.415 43.440 10.208 231 HB2 HIS 32 HB2 HIS 32 -4.451 41.018 11.647 232 HB3 HIS 32 HB3 HIS 32 -6.028 41.658 12.098 233 HD1 HIS 32 HD1 HIS 32 -6.482 39.088 11.018 234 HD2 HIS 32 HD2 HIS 32 -5.762 42.263 8.435 235 HE1 HIS 32 HE1 HIS 32 -7.392 38.362 8.789 236 H LYS 33 H LYS 33 -3.083 43.429 12.810 237 HA LYS 33 HA LYS 33 -4.715 44.450 14.860 238 HB2 LYS 33 HB2 LYS 33 -2.352 43.473 15.028 239 HB3 LYS 33 HB3 LYS 33 -1.781 45.069 14.556 240 HG2 LYS 33 HG2 LYS 33 -2.783 46.056 16.510 241 HG3 LYS 33 HG3 LYS 33 -3.510 44.511 16.958 242 HD2 LYS 33 HD2 LYS 33 -1.631 44.582 18.309 243 HD3 LYS 33 HD3 LYS 33 -1.061 43.645 16.926 244 HE2 LYS 33 HE2 LYS 33 0.656 45.164 17.237 245 HE3 LYS 33 HE3 LYS 33 -0.318 45.947 15.994 246 HZ1 LYS 33 HZ1 LYS 33 -0.657 47.668 17.325 247 HZ2 LYS 33 HZ2 LYS 33 0.430 46.997 18.434 248 HZ3 LYS 33 HZ3 LYS 33 -1.226 46.679 18.576 Start of MODEL 12 1 H1 GLY 1 H GLY 1 4.252 2.431 -5.971 2 HA2 GLY 1 HA2 GLY 1 5.655 1.553 -4.010 3 HA3 GLY 1 HA3 GLY 1 6.544 2.367 -5.288 4 H PHE 2 H PHE 2 6.924 2.086 -2.294 5 HA PHE 2 HA PHE 2 6.514 4.450 -0.934 6 HB2 PHE 2 HB2 PHE 2 7.362 2.748 0.394 7 HB3 PHE 2 HB3 PHE 2 8.616 2.326 -0.767 8 HD1 PHE 2 HD1 PHE 2 10.635 2.498 0.330 9 HD2 PHE 2 HD2 PHE 2 7.747 5.589 0.801 10 HE1 PHE 2 HE1 PHE 2 12.267 3.822 1.610 11 HE2 PHE 2 HE2 PHE 2 9.375 6.919 2.080 12 HZ PHE 2 HZ PHE 2 11.638 6.037 2.485 13 H TRP 3 H TRP 3 9.398 3.558 -2.828 14 HA TRP 3 HA TRP 3 10.858 5.874 -2.541 15 HB2 TRP 3 HB2 TRP 3 10.825 3.628 -4.364 16 HB3 TRP 3 HB3 TRP 3 11.238 5.114 -5.215 17 HD1 TRP 3 HD1 TRP 3 13.117 2.468 -4.121 18 HE1 TRP 3 HE1 TRP 3 15.376 3.106 -3.065 19 HE3 TRP 3 HE3 TRP 3 12.172 7.386 -3.093 20 HZ2 TRP 3 HZ2 TRP 3 16.595 5.391 -1.944 21 HZ3 TRP 3 HZ3 TRP 3 13.938 8.728 -2.028 22 HH2 TRP 3 HH2 TRP 3 16.103 7.750 -1.465 23 H SER 4 H SER 4 7.934 5.387 -4.299 24 HA SER 4 HA SER 4 8.246 7.876 -5.794 25 HB2 SER 4 HB2 SER 4 7.177 5.591 -6.624 26 HB3 SER 4 HB3 SER 4 5.727 6.275 -5.889 27 HG SER 4 HG SER 4 6.398 6.757 -8.244 28 H SER 5 H SER 5 6.315 6.467 -3.210 29 HA SER 5 HA SER 5 4.501 8.625 -2.937 30 HB2 SER 5 HB2 SER 5 5.215 6.953 -0.571 31 HB3 SER 5 HB3 SER 5 3.629 7.469 -1.145 32 HG SER 5 HG SER 5 4.046 5.982 -2.960 33 H VAL 6 H VAL 6 7.775 8.249 -2.081 34 HA VAL 6 HA VAL 6 7.806 10.056 0.144 35 HB VAL 6 HB VAL 6 9.533 8.240 -0.369 36 HG11 VAL 6 HG11 VAL 6 9.819 9.140 -2.754 37 HG12 VAL 6 HG12 VAL 6 10.855 10.366 -2.021 38 HG13 VAL 6 HG13 VAL 6 11.269 8.657 -1.873 39 HG21 VAL 6 HG21 VAL 6 11.378 10.220 0.210 40 HG22 VAL 6 HG22 VAL 6 9.846 10.889 0.772 41 HG23 VAL 6 HG23 VAL 6 10.400 9.327 1.376 42 H TRP 7 H TRP 7 8.405 10.306 -3.320 43 HA TRP 7 HA TRP 7 9.205 13.077 -3.135 44 HB2 TRP 7 HB2 TRP 7 8.563 11.451 -5.604 45 HB3 TRP 7 HB3 TRP 7 9.431 12.983 -5.547 46 HD1 TRP 7 HD1 TRP 7 10.227 9.598 -6.157 47 HE1 TRP 7 HE1 TRP 7 12.612 8.971 -5.420 48 HE3 TRP 7 HE3 TRP 7 11.195 13.567 -3.085 49 HZ2 TRP 7 HZ2 TRP 7 14.636 10.020 -3.755 50 HZ3 TRP 7 HZ3 TRP 7 13.379 13.680 -1.957 51 HH2 TRP 7 HH2 TRP 7 15.062 11.942 -2.286 52 H ASP 8 H ASP 8 6.347 11.240 -4.041 53 HA ASP 8 HA ASP 8 4.900 13.535 -4.984 54 HB2 ASP 8 HB2 ASP 8 4.495 11.181 -5.770 55 HB3 ASP 8 HB3 ASP 8 3.789 10.837 -4.193 56 H GLY 9 H GLY 9 4.812 11.521 -2.055 57 HA2 GLY 9 HA2 GLY 9 2.715 12.918 -0.782 58 HA3 GLY 9 HA3 GLY 9 3.904 11.902 0.019 59 H ALA 10 H ALA 10 6.244 13.205 -0.408 60 HA ALA 10 HA ALA 10 6.177 15.251 1.520 61 HB1 ALA 10 HB1 ALA 10 8.519 15.595 1.003 62 HB2 ALA 10 HB2 ALA 10 8.158 13.869 1.056 63 HB3 ALA 10 HB3 ALA 10 8.346 14.683 -0.497 64 H LYS 11 H LYS 11 6.520 15.393 -2.016 65 HA LYS 11 HA LYS 11 6.886 18.098 -2.363 66 HB2 LYS 11 HB2 LYS 11 6.994 16.540 -4.218 67 HB3 LYS 11 HB3 LYS 11 5.278 16.185 -4.064 68 HG2 LYS 11 HG2 LYS 11 5.997 19.016 -4.489 69 HG3 LYS 11 HG3 LYS 11 6.274 17.917 -5.842 70 HD2 LYS 11 HD2 LYS 11 3.855 17.105 -5.328 71 HD3 LYS 11 HD3 LYS 11 3.709 18.649 -4.485 72 HE2 LYS 11 HE2 LYS 11 4.270 19.849 -6.503 73 HE3 LYS 11 HE3 LYS 11 4.581 18.338 -7.356 74 HZ1 LYS 11 HZ1 LYS 11 2.264 17.755 -7.139 75 HZ2 LYS 11 HZ2 LYS 11 2.399 19.268 -7.882 76 HZ3 LYS 11 HZ3 LYS 11 1.948 19.162 -6.255 77 H ASN 12 H ASN 12 3.831 16.348 -1.950 78 HA ASN 12 HA ASN 12 2.254 18.751 -2.134 79 HB2 ASN 12 HB2 ASN 12 1.623 16.230 -2.666 80 HB3 ASN 12 HB3 ASN 12 1.156 16.230 -0.967 81 HD21 ASN 12 HD21 ASN 12 0.072 16.718 -4.020 82 HD22 ASN 12 HD22 ASN 12 -1.304 17.707 -3.687 83 H VAL 13 H VAL 13 3.613 16.758 0.403 84 HA VAL 13 HA VAL 13 2.130 17.783 2.570 85 HB VAL 13 HB VAL 13 4.794 16.419 2.359 86 HG11 VAL 13 HG11 VAL 13 5.327 17.748 4.164 87 HG12 VAL 13 HG12 VAL 13 3.656 17.847 4.722 88 HG13 VAL 13 HG13 VAL 13 4.580 16.363 4.960 89 HG21 VAL 13 HG21 VAL 13 3.636 14.568 2.817 90 HG22 VAL 13 HG22 VAL 13 2.782 15.336 4.156 91 HG23 VAL 13 HG23 VAL 13 2.185 15.521 2.506 92 H GLY 14 H GLY 14 5.422 18.609 1.455 93 HA2 GLY 14 HA2 GLY 14 5.790 20.751 3.248 94 HA3 GLY 14 HA3 GLY 14 6.689 20.498 1.760 95 H THR 15 H THR 15 5.008 20.852 -0.231 96 HA THR 15 HA THR 15 4.730 23.565 -0.543 97 HB THR 15 HB THR 15 4.543 21.811 -2.352 98 HG1 THR 15 HG1 THR 15 4.085 23.977 -2.832 99 HG21 THR 15 HG21 THR 15 1.651 21.762 -1.481 100 HG22 THR 15 HG22 THR 15 2.802 20.445 -1.258 101 HG23 THR 15 HG23 THR 15 2.336 20.944 -2.883 102 H ALA 16 H ALA 16 2.510 21.319 0.959 103 HA ALA 16 HA ALA 16 0.252 23.037 1.024 104 HB1 ALA 16 HB1 ALA 16 0.073 20.608 1.287 105 HB2 ALA 16 HB2 ALA 16 0.921 20.716 2.831 106 HB3 ALA 16 HB3 ALA 16 -0.664 21.466 2.640 107 H ILE 17 H ILE 17 2.767 22.272 3.417 108 HA ILE 17 HA ILE 17 1.850 23.744 5.560 109 HB ILE 17 HB ILE 17 4.727 23.429 4.694 110 HG12 ILE 17 HG12 ILE 17 3.468 21.298 4.976 111 HG13 ILE 17 HG13 ILE 17 4.776 21.487 6.138 112 HG21 ILE 17 HG21 ILE 17 4.890 25.043 6.312 113 HG22 ILE 17 HG22 ILE 17 3.445 24.495 7.159 114 HG23 ILE 17 HG23 ILE 17 4.950 23.589 7.308 115 HD11 ILE 17 HD11 ILE 17 3.200 22.111 7.856 116 HD12 ILE 17 HD12 ILE 17 1.872 22.035 6.698 117 HD13 ILE 17 HD13 ILE 17 2.741 20.566 7.141 118 H ILE 18 H ILE 18 3.740 24.858 2.781 119 HA ILE 18 HA ILE 18 3.875 27.566 3.755 120 HB ILE 18 HB ILE 18 4.568 26.423 1.047 121 HG12 ILE 18 HG12 ILE 18 6.931 27.044 2.038 122 HG13 ILE 18 HG13 ILE 18 6.096 26.883 3.579 123 HG21 ILE 18 HG21 ILE 18 5.089 29.154 2.211 124 HG22 ILE 18 HG22 ILE 18 5.794 28.543 0.715 125 HG23 ILE 18 HG23 ILE 18 4.050 28.770 0.839 126 HD11 ILE 18 HD11 ILE 18 5.919 24.710 1.542 127 HD12 ILE 18 HD12 ILE 18 7.334 24.852 2.585 128 HD13 ILE 18 HD13 ILE 18 5.735 24.623 3.293 129 H LYS 19 H LYS 19 1.885 25.731 1.534 130 HA LYS 19 HA LYS 19 0.646 27.724 0.087 131 HB2 LYS 19 HB2 LYS 19 -0.142 25.012 1.004 132 HB3 LYS 19 HB3 LYS 19 -1.432 26.058 0.424 133 HG2 LYS 19 HG2 LYS 19 -0.642 26.075 -1.724 134 HG3 LYS 19 HG3 LYS 19 1.024 25.766 -1.231 135 HD2 LYS 19 HD2 LYS 19 0.757 23.540 -1.325 136 HD3 LYS 19 HD3 LYS 19 -0.830 23.606 -0.555 137 HE2 LYS 19 HE2 LYS 19 -1.145 22.754 -2.755 138 HE3 LYS 19 HE3 LYS 19 -1.755 24.408 -2.742 139 HZ1 LYS 19 HZ1 LYS 19 -0.094 23.465 -4.592 140 HZ2 LYS 19 HZ2 LYS 19 1.030 24.096 -3.497 141 HZ3 LYS 19 HZ3 LYS 19 -0.164 25.098 -4.153 142 H ASN 20 H ASN 20 -0.191 26.527 3.320 143 HA ASN 20 HA ASN 20 -2.167 28.673 3.589 144 HB2 ASN 20 HB2 ASN 20 -1.739 26.041 4.908 145 HB3 ASN 20 HB3 ASN 20 -2.458 27.322 5.880 146 HD21 ASN 20 HD21 ASN 20 -2.778 26.400 2.471 147 HD22 ASN 20 HD22 ASN 20 -4.497 26.231 2.502 148 H ALA 21 H ALA 21 0.859 28.891 3.732 149 HA ALA 21 HA ALA 21 1.157 29.885 6.476 150 HB1 ALA 21 HB1 ALA 21 3.568 29.982 5.961 151 HB2 ALA 21 HB2 ALA 21 2.892 28.365 5.763 152 HB3 ALA 21 HB3 ALA 21 3.225 29.361 4.346 153 H LYS 22 H LYS 22 2.261 30.926 3.245 154 HA LYS 22 HA LYS 22 2.754 33.572 3.841 155 HB2 LYS 22 HB2 LYS 22 1.706 32.419 1.250 156 HB3 LYS 22 HB3 LYS 22 2.414 34.020 1.425 157 HG2 LYS 22 HG2 LYS 22 3.897 31.502 2.121 158 HG3 LYS 22 HG3 LYS 22 3.923 32.221 0.509 159 HD2 LYS 22 HD2 LYS 22 4.553 33.931 2.871 160 HD3 LYS 22 HD3 LYS 22 5.777 32.806 2.277 161 HE2 LYS 22 HE2 LYS 22 6.272 34.709 1.075 162 HE3 LYS 22 HE3 LYS 22 5.212 33.851 -0.042 163 HZ1 LYS 22 HZ1 LYS 22 4.061 35.785 1.851 164 HZ2 LYS 22 HZ2 LYS 22 3.491 35.303 0.333 165 HZ3 LYS 22 HZ3 LYS 22 4.817 36.348 0.445 166 H VAL 23 H VAL 23 -0.296 31.983 3.280 167 HA VAL 23 HA VAL 23 -1.968 34.083 2.656 168 HB VAL 23 HB VAL 23 -3.787 32.826 3.610 169 HG11 VAL 23 HG11 VAL 23 -1.995 30.631 2.702 170 HG12 VAL 23 HG12 VAL 23 -3.657 30.999 2.237 171 HG13 VAL 23 HG13 VAL 23 -2.327 31.963 1.594 172 HG21 VAL 23 HG21 VAL 23 -3.372 30.812 4.983 173 HG22 VAL 23 HG22 VAL 23 -1.660 31.232 5.037 174 HG23 VAL 23 HG23 VAL 23 -2.854 32.300 5.775 175 H CYS 24 H CYS 24 -2.884 35.753 3.723 176 HA CYS 24 HA CYS 24 -1.774 36.485 6.281 177 HB2 CYS 24 HB2 CYS 24 -3.975 37.985 4.890 178 HB3 CYS 24 HB3 CYS 24 -2.690 38.611 5.919 179 H VAL 25 H VAL 25 -4.833 35.318 5.033 180 HA VAL 25 HA VAL 25 -5.891 35.286 7.786 181 HB VAL 25 HB VAL 25 -7.859 34.977 5.634 182 HG11 VAL 25 HG11 VAL 25 -7.614 36.153 8.309 183 HG12 VAL 25 HG12 VAL 25 -8.662 37.046 7.205 184 HG13 VAL 25 HG13 VAL 25 -8.981 35.344 7.543 185 HG21 VAL 25 HG21 VAL 25 -6.445 36.570 4.501 186 HG22 VAL 25 HG22 VAL 25 -7.894 37.392 5.082 187 HG23 VAL 25 HG23 VAL 25 -6.367 37.581 5.945 188 H TYR 26 H TYR 26 -7.995 33.609 7.517 189 HA TYR 26 HA TYR 26 -6.818 31.068 7.647 190 HB2 TYR 26 HB2 TYR 26 -9.744 31.673 7.189 191 HB3 TYR 26 HB3 TYR 26 -9.065 30.206 7.883 192 HD1 TYR 26 HD1 TYR 26 -10.215 33.554 8.537 193 HD2 TYR 26 HD2 TYR 26 -7.931 30.337 10.129 194 HE1 TYR 26 HE1 TYR 26 -10.408 34.537 10.783 195 HE2 TYR 26 HE2 TYR 26 -8.119 31.310 12.380 196 HH TYR 26 HH TYR 26 -8.936 34.381 12.993 197 H ALA 27 H ALA 27 -8.758 32.596 5.099 198 HA ALA 27 HA ALA 27 -8.671 30.342 3.355 199 HB1 ALA 27 HB1 ALA 27 -10.461 31.664 2.842 200 HB2 ALA 27 HB2 ALA 27 -9.582 33.164 3.140 201 HB3 ALA 27 HB3 ALA 27 -9.301 32.258 1.653 202 H VAL 28 H VAL 28 -7.670 33.411 2.057 203 HA VAL 28 HA VAL 28 -4.888 32.630 1.830 204 HB VAL 28 HB VAL 28 -5.789 31.437 -0.064 205 HG11 VAL 28 HG11 VAL 28 -6.709 33.583 -1.713 206 HG12 VAL 28 HG12 VAL 28 -7.571 32.135 -1.188 207 HG13 VAL 28 HG13 VAL 28 -7.601 33.591 -0.192 208 HG21 VAL 28 HG21 VAL 28 -4.691 33.797 -1.467 209 HG22 VAL 28 HG22 VAL 28 -3.698 33.108 -0.182 210 HG23 VAL 28 HG23 VAL 28 -4.204 32.103 -1.541 211 H CYS 29 H CYS 29 -5.041 34.637 3.186 212 HA CYS 29 HA CYS 29 -4.562 36.846 3.444 213 HB2 CYS 29 HB2 CYS 29 -3.159 36.194 1.284 214 HB3 CYS 29 HB3 CYS 29 -4.303 37.283 0.504 215 H VAL 30 H VAL 30 -7.276 35.725 2.356 216 HA VAL 30 HA VAL 30 -8.567 38.329 2.311 217 HB VAL 30 HB VAL 30 -9.230 36.361 0.130 218 HG11 VAL 30 HG11 VAL 30 -11.042 37.782 0.417 219 HG12 VAL 30 HG12 VAL 30 -10.022 39.170 0.798 220 HG13 VAL 30 HG13 VAL 30 -10.123 38.577 -0.860 221 HG21 VAL 30 HG21 VAL 30 -7.980 37.806 -1.411 222 HG22 VAL 30 HG22 VAL 30 -7.408 38.761 -0.043 223 HG23 VAL 30 HG23 VAL 30 -6.926 37.072 -0.202 224 H SER 31 H SER 31 -10.907 38.182 2.572 225 HA SER 31 HA SER 31 -11.893 35.591 3.514 226 HB2 SER 31 HB2 SER 31 -12.970 36.978 5.463 227 HB3 SER 31 HB3 SER 31 -11.304 36.419 5.605 228 HG SER 31 HG SER 31 -10.676 38.417 5.642 229 H HIS 32 H HIS 32 -13.891 35.187 2.822 230 HA HIS 32 HA HIS 32 -15.252 36.952 1.102 231 HB2 HIS 32 HB2 HIS 32 -16.218 34.465 2.525 232 HB3 HIS 32 HB3 HIS 32 -17.123 35.300 1.266 233 HD1 HIS 32 HD1 HIS 32 -16.280 32.383 0.874 234 HD2 HIS 32 HD2 HIS 32 -14.039 35.636 -0.414 235 HE1 HIS 32 HE1 HIS 32 -14.828 31.506 -0.982 236 H LYS 33 H LYS 33 -15.492 36.354 4.536 237 HA LYS 33 HA LYS 33 -17.985 37.602 4.985 238 HB2 LYS 33 HB2 LYS 33 -16.478 36.112 6.542 239 HB3 LYS 33 HB3 LYS 33 -15.812 37.662 7.041 240 HG2 LYS 33 HG2 LYS 33 -17.947 38.413 7.803 241 HG3 LYS 33 HG3 LYS 33 -18.745 36.994 7.119 242 HD2 LYS 33 HD2 LYS 33 -16.560 36.429 9.012 243 HD3 LYS 33 HD3 LYS 33 -17.982 37.211 9.707 244 HE2 LYS 33 HE2 LYS 33 -19.374 35.438 8.608 245 HE3 LYS 33 HE3 LYS 33 -17.875 34.619 8.172 246 HZ1 LYS 33 HZ1 LYS 33 -17.748 33.752 10.191 247 HZ2 LYS 33 HZ2 LYS 33 -19.274 34.391 10.541 248 HZ3 LYS 33 HZ3 LYS 33 -17.881 35.269 10.928 Start of MODEL 13 1 H1 GLY 1 H GLY 1 3.011 2.692 -3.384 2 HA2 GLY 1 HA2 GLY 1 5.274 1.830 -4.497 3 HA3 GLY 1 HA3 GLY 1 4.945 3.241 -5.491 4 H PHE 2 H PHE 2 6.281 2.099 -2.590 5 HA PHE 2 HA PHE 2 6.102 4.300 -0.898 6 HB2 PHE 2 HB2 PHE 2 6.993 2.135 -0.176 7 HB3 PHE 2 HB3 PHE 2 8.400 2.357 -1.211 8 HD1 PHE 2 HD1 PHE 2 9.849 4.448 -0.747 9 HD2 PHE 2 HD2 PHE 2 7.067 2.814 2.030 10 HE1 PHE 2 HE1 PHE 2 11.026 5.581 1.094 11 HE2 PHE 2 HE2 PHE 2 8.239 3.945 3.874 12 HZ PHE 2 HZ PHE 2 10.220 5.331 3.408 13 H TRP 3 H TRP 3 8.750 3.500 -3.149 14 HA TRP 3 HA TRP 3 10.346 5.696 -2.809 15 HB2 TRP 3 HB2 TRP 3 9.808 3.853 -5.065 16 HB3 TRP 3 HB3 TRP 3 10.608 5.368 -5.477 17 HD1 TRP 3 HD1 TRP 3 11.566 2.019 -4.843 18 HE1 TRP 3 HE1 TRP 3 13.920 1.824 -3.820 19 HE3 TRP 3 HE3 TRP 3 12.185 6.855 -3.303 20 HZ2 TRP 3 HZ2 TRP 3 15.791 3.498 -2.530 21 HZ3 TRP 3 HZ3 TRP 3 14.286 7.476 -2.182 22 HH2 TRP 3 HH2 TRP 3 16.050 5.831 -1.804 23 H SER 4 H SER 4 7.289 5.505 -4.485 24 HA SER 4 HA SER 4 7.541 8.109 -5.698 25 HB2 SER 4 HB2 SER 4 6.108 5.998 -6.437 26 HB3 SER 4 HB3 SER 4 4.891 6.761 -5.414 27 HG SER 4 HG SER 4 4.997 8.590 -6.691 28 H SER 5 H SER 5 5.952 6.709 -2.885 29 HA SER 5 HA SER 5 4.437 8.984 -2.170 30 HB2 SER 5 HB2 SER 5 3.824 7.796 -0.293 31 HB3 SER 5 HB3 SER 5 4.388 6.471 -1.310 32 HG SER 5 HG SER 5 5.545 7.600 0.958 33 H VAL 6 H VAL 6 7.760 8.405 -2.087 34 HA VAL 6 HA VAL 6 8.365 10.064 0.193 35 HB VAL 6 HB VAL 6 10.419 9.420 -1.874 36 HG11 VAL 6 HG11 VAL 6 11.654 10.270 -0.226 37 HG12 VAL 6 HG12 VAL 6 10.311 10.199 0.915 38 HG13 VAL 6 HG13 VAL 6 11.330 8.782 0.663 39 HG21 VAL 6 HG21 VAL 6 8.895 7.442 -0.264 40 HG22 VAL 6 HG22 VAL 6 9.603 7.287 -1.872 41 HG23 VAL 6 HG23 VAL 6 10.633 7.204 -0.443 42 H TRP 7 H TRP 7 8.905 10.352 -3.321 43 HA TRP 7 HA TRP 7 9.617 13.130 -3.095 44 HB2 TRP 7 HB2 TRP 7 8.950 11.670 -5.648 45 HB3 TRP 7 HB3 TRP 7 9.995 13.072 -5.437 46 HD1 TRP 7 HD1 TRP 7 10.105 9.370 -5.674 47 HE1 TRP 7 HE1 TRP 7 12.477 8.512 -5.160 48 HE3 TRP 7 HE3 TRP 7 12.119 13.656 -3.749 49 HZ2 TRP 7 HZ2 TRP 7 14.883 9.519 -4.081 50 HZ3 TRP 7 HZ3 TRP 7 14.462 13.625 -2.998 51 HH2 TRP 7 HH2 TRP 7 15.813 11.598 -3.161 52 H ASP 8 H ASP 8 6.779 11.282 -4.033 53 HA ASP 8 HA ASP 8 5.318 13.587 -4.941 54 HB2 ASP 8 HB2 ASP 8 5.008 11.137 -5.687 55 HB3 ASP 8 HB3 ASP 8 4.087 10.944 -4.197 56 H GLY 9 H GLY 9 5.373 11.577 -2.027 57 HA2 GLY 9 HA2 GLY 9 3.187 12.828 -0.735 58 HA3 GLY 9 HA3 GLY 9 4.444 11.884 0.051 59 H ALA 10 H ALA 10 6.697 13.306 -0.348 60 HA ALA 10 HA ALA 10 6.490 15.371 1.555 61 HB1 ALA 10 HB1 ALA 10 8.729 14.834 -0.394 62 HB2 ALA 10 HB2 ALA 10 8.832 15.821 1.065 63 HB3 ALA 10 HB3 ALA 10 8.542 14.086 1.193 64 H LYS 11 H LYS 11 6.873 15.456 -1.974 65 HA LYS 11 HA LYS 11 7.149 18.173 -2.364 66 HB2 LYS 11 HB2 LYS 11 7.383 16.676 -4.217 67 HB3 LYS 11 HB3 LYS 11 5.730 16.102 -4.040 68 HG2 LYS 11 HG2 LYS 11 4.847 18.176 -4.807 69 HG3 LYS 11 HG3 LYS 11 6.440 18.935 -4.759 70 HD2 LYS 11 HD2 LYS 11 7.119 17.097 -6.438 71 HD3 LYS 11 HD3 LYS 11 5.383 16.881 -6.673 72 HE2 LYS 11 HE2 LYS 11 6.263 18.400 -8.340 73 HE3 LYS 11 HE3 LYS 11 5.186 19.266 -7.245 74 HZ1 LYS 11 HZ1 LYS 11 8.109 19.226 -6.816 75 HZ2 LYS 11 HZ2 LYS 11 6.969 20.315 -6.206 76 HZ3 LYS 11 HZ3 LYS 11 7.387 20.359 -7.844 77 H ASN 12 H ASN 12 4.163 16.304 -1.977 78 HA ASN 12 HA ASN 12 2.492 18.636 -2.236 79 HB2 ASN 12 HB2 ASN 12 1.976 16.085 -2.742 80 HB3 ASN 12 HB3 ASN 12 1.474 16.091 -1.054 81 HD21 ASN 12 HD21 ASN 12 0.718 17.034 -4.252 82 HD22 ASN 12 HD22 ASN 12 -0.814 17.759 -3.917 83 H VAL 13 H VAL 13 3.876 16.739 0.360 84 HA VAL 13 HA VAL 13 2.305 17.736 2.478 85 HB VAL 13 HB VAL 13 5.019 16.469 2.341 86 HG11 VAL 13 HG11 VAL 13 5.427 17.926 4.112 87 HG12 VAL 13 HG12 VAL 13 3.766 17.832 4.699 88 HG13 VAL 13 HG13 VAL 13 4.856 16.461 4.910 89 HG21 VAL 13 HG21 VAL 13 2.835 15.466 4.063 90 HG22 VAL 13 HG22 VAL 13 2.571 15.379 2.321 91 HG23 VAL 13 HG23 VAL 13 3.971 14.585 3.042 92 H GLY 14 H GLY 14 5.564 18.693 1.378 93 HA2 GLY 14 HA2 GLY 14 5.820 20.869 3.160 94 HA3 GLY 14 HA3 GLY 14 6.754 20.632 1.690 95 H THR 15 H THR 15 5.092 20.886 -0.332 96 HA THR 15 HA THR 15 4.703 23.585 -0.680 97 HB THR 15 HB THR 15 4.644 21.808 -2.476 98 HG1 THR 15 HG1 THR 15 2.773 23.933 -2.344 99 HG21 THR 15 HG21 THR 15 1.728 21.639 -1.704 100 HG22 THR 15 HG22 THR 15 2.928 20.386 -1.387 101 HG23 THR 15 HG23 THR 15 2.515 20.811 -3.047 102 H ALA 16 H ALA 16 2.552 21.247 0.785 103 HA ALA 16 HA ALA 16 0.208 22.837 0.773 104 HB1 ALA 16 HB1 ALA 16 -0.284 21.246 2.834 105 HB2 ALA 16 HB2 ALA 16 -0.329 20.660 1.171 106 HB3 ALA 16 HB3 ALA 16 1.097 20.373 2.168 107 H ILE 17 H ILE 17 2.626 22.209 3.313 108 HA ILE 17 HA ILE 17 1.570 23.760 5.334 109 HB ILE 17 HB ILE 17 4.500 23.434 4.674 110 HG12 ILE 17 HG12 ILE 17 3.248 21.298 4.921 111 HG13 ILE 17 HG13 ILE 17 4.461 21.533 6.176 112 HG21 ILE 17 HG21 ILE 17 4.852 23.861 7.071 113 HG22 ILE 17 HG22 ILE 17 4.135 25.243 6.244 114 HG23 ILE 17 HG23 ILE 17 3.131 24.199 7.249 115 HD11 ILE 17 HD11 ILE 17 1.822 22.541 6.897 116 HD12 ILE 17 HD12 ILE 17 1.871 20.804 6.592 117 HD13 ILE 17 HD13 ILE 17 2.938 21.518 7.801 118 H ILE 18 H ILE 18 3.511 24.764 2.567 119 HA ILE 18 HA ILE 18 3.806 27.471 3.432 120 HB ILE 18 HB ILE 18 4.010 26.555 0.575 121 HG12 ILE 18 HG12 ILE 18 5.294 24.942 1.816 122 HG13 ILE 18 HG13 ILE 18 6.420 26.077 1.081 123 HG21 ILE 18 HG21 ILE 18 6.017 28.281 0.930 124 HG22 ILE 18 HG22 ILE 18 4.387 28.787 0.488 125 HG23 ILE 18 HG23 ILE 18 4.913 28.877 2.169 126 HD11 ILE 18 HD11 ILE 18 7.322 26.378 3.074 127 HD12 ILE 18 HD12 ILE 18 5.812 27.115 3.610 128 HD13 ILE 18 HD13 ILE 18 6.077 25.386 3.831 129 H LYS 19 H LYS 19 1.449 25.708 1.558 130 HA LYS 19 HA LYS 19 0.169 27.942 0.370 131 HB2 LYS 19 HB2 LYS 19 -0.295 25.067 0.592 132 HB3 LYS 19 HB3 LYS 19 -1.786 26.000 0.613 133 HG2 LYS 19 HG2 LYS 19 -1.285 25.362 -1.642 134 HG3 LYS 19 HG3 LYS 19 -1.077 27.108 -1.480 135 HD2 LYS 19 HD2 LYS 19 1.408 26.500 -1.010 136 HD3 LYS 19 HD3 LYS 19 0.995 24.971 -1.789 137 HE2 LYS 19 HE2 LYS 19 0.392 27.623 -3.063 138 HE3 LYS 19 HE3 LYS 19 1.953 26.829 -3.260 139 HZ1 LYS 19 HZ1 LYS 19 0.003 24.922 -3.775 140 HZ2 LYS 19 HZ2 LYS 19 1.061 25.641 -4.882 141 HZ3 LYS 19 HZ3 LYS 19 -0.466 26.317 -4.611 142 H ASN 20 H ASN 20 -0.080 26.395 3.483 143 HA ASN 20 HA ASN 20 -2.448 27.964 4.172 144 HB2 ASN 20 HB2 ASN 20 -1.101 25.566 5.307 145 HB3 ASN 20 HB3 ASN 20 -1.961 26.615 6.431 146 HD21 ASN 20 HD21 ASN 20 -2.611 25.612 3.092 147 HD22 ASN 20 HD22 ASN 20 -4.184 24.974 3.411 148 H ALA 21 H ALA 21 0.968 27.710 4.869 149 HA ALA 21 HA ALA 21 0.989 29.425 7.135 150 HB1 ALA 21 HB1 ALA 21 3.053 28.296 5.312 151 HB2 ALA 21 HB2 ALA 21 3.493 29.644 6.361 152 HB3 ALA 21 HB3 ALA 21 2.884 28.144 7.061 153 H LYS 22 H LYS 22 0.900 29.965 3.723 154 HA LYS 22 HA LYS 22 1.898 32.653 3.800 155 HB2 LYS 22 HB2 LYS 22 1.089 32.764 1.461 156 HB3 LYS 22 HB3 LYS 22 2.115 31.367 1.761 157 HG2 LYS 22 HG2 LYS 22 0.052 29.994 2.016 158 HG3 LYS 22 HG3 LYS 22 -0.883 31.404 1.512 159 HD2 LYS 22 HD2 LYS 22 1.325 30.161 -0.125 160 HD3 LYS 22 HD3 LYS 22 -0.388 29.785 -0.325 161 HE2 LYS 22 HE2 LYS 22 0.672 32.593 -0.481 162 HE3 LYS 22 HE3 LYS 22 0.609 31.532 -1.888 163 HZ1 LYS 22 HZ1 LYS 22 -1.839 31.774 -0.333 164 HZ2 LYS 22 HZ2 LYS 22 -1.626 31.672 -2.007 165 HZ3 LYS 22 HZ3 LYS 22 -1.373 33.143 -1.211 166 H VAL 23 H VAL 23 0.171 32.759 5.753 167 HA VAL 23 HA VAL 23 -2.517 33.331 5.056 168 HB VAL 23 HB VAL 23 -2.618 34.417 7.322 169 HG11 VAL 23 HG11 VAL 23 -2.383 31.719 6.607 170 HG12 VAL 23 HG12 VAL 23 -1.438 31.911 8.084 171 HG13 VAL 23 HG13 VAL 23 -3.137 32.385 8.055 172 HG21 VAL 23 HG21 VAL 23 -0.013 34.870 7.101 173 HG22 VAL 23 HG22 VAL 23 -0.795 34.667 8.669 174 HG23 VAL 23 HG23 VAL 23 0.071 33.317 7.934 175 H CYS 24 H CYS 24 -3.314 35.642 6.029 176 HA CYS 24 HA CYS 24 -2.309 37.555 4.120 177 HB2 CYS 24 HB2 CYS 24 -4.328 38.224 6.233 178 HB3 CYS 24 HB3 CYS 24 -4.214 38.815 4.579 179 H VAL 25 H VAL 25 -2.694 37.521 7.665 180 HA VAL 25 HA VAL 25 -0.744 39.705 7.852 181 HB VAL 25 HB VAL 25 -1.998 38.765 10.338 182 HG11 VAL 25 HG11 VAL 25 -1.556 40.860 10.955 183 HG12 VAL 25 HG12 VAL 25 -0.718 41.039 9.413 184 HG13 VAL 25 HG13 VAL 25 -2.406 41.527 9.562 185 HG21 VAL 25 HG21 VAL 25 -3.915 38.386 8.991 186 HG22 VAL 25 HG22 VAL 25 -4.154 39.945 9.780 187 HG23 VAL 25 HG23 VAL 25 -3.660 39.879 8.089 188 H TYR 26 H TYR 26 0.291 39.384 10.321 189 HA TYR 26 HA TYR 26 2.348 37.518 9.931 190 HB2 TYR 26 HB2 TYR 26 1.474 38.799 12.529 191 HB3 TYR 26 HB3 TYR 26 3.039 38.058 12.213 192 HD1 TYR 26 HD1 TYR 26 0.990 41.023 11.813 193 HD2 TYR 26 HD2 TYR 26 4.624 39.146 10.643 194 HE1 TYR 26 HE1 TYR 26 1.846 43.188 11.022 195 HE2 TYR 26 HE2 TYR 26 5.492 41.306 9.850 196 HH TYR 26 HH TYR 26 5.029 43.450 9.474 197 H ALA 27 H ALA 27 -0.485 37.413 12.075 198 HA ALA 27 HA ALA 27 0.106 34.788 13.048 199 HB1 ALA 27 HB1 ALA 27 -2.249 34.934 13.957 200 HB2 ALA 27 HB2 ALA 27 -1.129 36.185 14.498 201 HB3 ALA 27 HB3 ALA 27 -2.323 36.549 13.252 202 H VAL 28 H VAL 28 -3.113 35.399 11.888 203 HA VAL 28 HA VAL 28 -2.798 33.720 9.545 204 HB VAL 28 HB VAL 28 -4.870 32.357 10.497 205 HG11 VAL 28 HG11 VAL 28 -3.450 30.648 10.323 206 HG12 VAL 28 HG12 VAL 28 -2.190 31.849 10.031 207 HG13 VAL 28 HG13 VAL 28 -2.463 31.235 11.662 208 HG21 VAL 28 HG21 VAL 28 -3.289 32.670 13.019 209 HG22 VAL 28 HG22 VAL 28 -4.629 33.760 12.661 210 HG23 VAL 28 HG23 VAL 28 -4.915 32.025 12.793 211 H CYS 29 H CYS 29 -3.481 35.700 8.555 212 HA CYS 29 HA CYS 29 -4.991 37.152 7.661 213 HB2 CYS 29 HB2 CYS 29 -6.479 34.598 7.998 214 HB3 CYS 29 HB3 CYS 29 -7.420 36.033 7.603 215 H VAL 30 H VAL 30 -4.606 37.055 10.644 216 HA VAL 30 HA VAL 30 -6.787 38.865 11.287 217 HB VAL 30 HB VAL 30 -7.372 37.776 13.374 218 HG11 VAL 30 HG11 VAL 30 -7.529 35.874 11.037 219 HG12 VAL 30 HG12 VAL 30 -8.532 35.808 12.487 220 HG13 VAL 30 HG13 VAL 30 -8.656 37.183 11.390 221 HG21 VAL 30 HG21 VAL 30 -5.901 36.413 14.335 222 HG22 VAL 30 HG22 VAL 30 -6.344 35.187 13.146 223 HG23 VAL 30 HG23 VAL 30 -4.980 36.262 12.838 224 H SER 31 H SER 31 -6.366 39.268 13.930 225 HA SER 31 HA SER 31 -3.501 39.892 14.171 226 HB2 SER 31 HB2 SER 31 -4.458 42.014 15.435 227 HB3 SER 31 HB3 SER 31 -4.251 42.019 13.683 228 HG SER 31 HG SER 31 -6.292 42.595 13.786 229 H HIS 32 H HIS 32 -3.152 38.216 15.613 230 HA HIS 32 HA HIS 32 -4.706 37.459 17.766 231 HB2 HIS 32 HB2 HIS 32 -1.801 37.277 17.133 232 HB3 HIS 32 HB3 HIS 32 -2.300 36.926 18.785 233 HD1 HIS 32 HD1 HIS 32 -1.853 34.430 18.688 234 HD2 HIS 32 HD2 HIS 32 -4.430 35.748 15.708 235 HE1 HIS 32 HE1 HIS 32 -2.795 32.345 17.644 236 H LYS 33 H LYS 33 -2.542 40.181 17.453 237 HA LYS 33 HA LYS 33 -2.561 40.816 20.262 238 HB2 LYS 33 HB2 LYS 33 -0.684 41.368 18.655 239 HB3 LYS 33 HB3 LYS 33 -1.730 42.611 17.981 240 HG2 LYS 33 HG2 LYS 33 -0.736 43.947 19.470 241 HG3 LYS 33 HG3 LYS 33 -1.841 43.204 20.629 242 HD2 LYS 33 HD2 LYS 33 0.232 42.988 21.661 243 HD3 LYS 33 HD3 LYS 33 0.002 41.415 20.895 244 HE2 LYS 33 HE2 LYS 33 2.223 42.047 20.411 245 HE3 LYS 33 HE3 LYS 33 1.310 42.335 18.931 246 HZ1 LYS 33 HZ1 LYS 33 1.542 44.564 20.796 247 HZ2 LYS 33 HZ2 LYS 33 1.551 44.563 19.105 248 HZ3 LYS 33 HZ3 LYS 33 2.945 44.124 19.958 Start of MODEL 14 1 H1 GLY 1 H GLY 1 3.346 3.049 -3.538 2 HA2 GLY 1 HA2 GLY 1 5.850 1.628 -3.901 3 HA3 GLY 1 HA3 GLY 1 5.552 2.914 -5.060 4 H PHE 2 H PHE 2 6.933 2.175 -2.132 5 HA PHE 2 HA PHE 2 6.455 4.520 -0.635 6 HB2 PHE 2 HB2 PHE 2 7.337 2.778 0.631 7 HB3 PHE 2 HB3 PHE 2 8.552 2.380 -0.579 8 HD1 PHE 2 HD1 PHE 2 7.747 5.646 1.006 9 HD2 PHE 2 HD2 PHE 2 10.584 2.510 0.520 10 HE1 PHE 2 HE1 PHE 2 9.410 6.962 2.253 11 HE2 PHE 2 HE2 PHE 2 12.251 3.821 1.767 12 HZ PHE 2 HZ PHE 2 11.666 6.049 2.636 13 H TRP 3 H TRP 3 9.271 3.590 -2.615 14 HA TRP 3 HA TRP 3 10.700 5.953 -2.401 15 HB2 TRP 3 HB2 TRP 3 10.625 3.698 -4.312 16 HB3 TRP 3 HB3 TRP 3 11.335 5.189 -4.924 17 HD1 TRP 3 HD1 TRP 3 12.607 2.179 -3.735 18 HE1 TRP 3 HE1 TRP 3 14.773 2.425 -2.366 19 HE3 TRP 3 HE3 TRP 3 12.324 7.169 -2.657 20 HZ2 TRP 3 HZ2 TRP 3 16.175 4.464 -1.009 21 HZ3 TRP 3 HZ3 TRP 3 14.118 8.190 -1.318 22 HH2 TRP 3 HH2 TRP 3 16.003 6.864 -0.511 23 H SER 4 H SER 4 7.787 5.323 -4.107 24 HA SER 4 HA SER 4 8.063 7.706 -5.773 25 HB2 SER 4 HB2 SER 4 6.270 5.329 -5.763 26 HB3 SER 4 HB3 SER 4 5.612 6.835 -6.404 27 HG SER 4 HG SER 4 7.326 5.123 -7.554 28 H SER 5 H SER 5 6.365 6.531 -2.964 29 HA SER 5 HA SER 5 4.498 8.715 -2.864 30 HB2 SER 5 HB2 SER 5 5.124 6.346 -1.179 31 HB3 SER 5 HB3 SER 5 4.350 7.715 -0.381 32 HG SER 5 HG SER 5 2.920 6.085 -1.351 33 H VAL 6 H VAL 6 7.746 8.268 -1.980 34 HA VAL 6 HA VAL 6 7.817 10.114 0.213 35 HB VAL 6 HB VAL 6 9.493 8.246 -0.229 36 HG11 VAL 6 HG11 VAL 6 11.251 8.565 -1.746 37 HG12 VAL 6 HG12 VAL 6 9.802 9.010 -2.649 38 HG13 VAL 6 HG13 VAL 6 10.851 10.265 -1.988 39 HG21 VAL 6 HG21 VAL 6 10.427 9.366 1.454 40 HG22 VAL 6 HG22 VAL 6 11.396 10.212 0.249 41 HG23 VAL 6 HG23 VAL 6 9.882 10.917 0.815 42 H TRP 7 H TRP 7 8.474 10.274 -3.250 43 HA TRP 7 HA TRP 7 9.335 13.028 -3.113 44 HB2 TRP 7 HB2 TRP 7 8.689 11.354 -5.548 45 HB3 TRP 7 HB3 TRP 7 9.574 12.877 -5.526 46 HD1 TRP 7 HD1 TRP 7 10.341 9.473 -6.044 47 HE1 TRP 7 HE1 TRP 7 12.710 8.839 -5.264 48 HE3 TRP 7 HE3 TRP 7 11.316 13.502 -3.052 49 HZ2 TRP 7 HZ2 TRP 7 14.726 9.905 -3.599 50 HZ3 TRP 7 HZ3 TRP 7 13.488 13.618 -1.901 51 HH2 TRP 7 HH2 TRP 7 15.156 11.856 -2.170 52 H ASP 8 H ASP 8 6.450 11.245 -4.059 53 HA ASP 8 HA ASP 8 5.075 13.569 -5.037 54 HB2 ASP 8 HB2 ASP 8 4.690 11.112 -5.717 55 HB3 ASP 8 HB3 ASP 8 3.753 10.988 -4.231 56 H GLY 9 H GLY 9 4.911 11.581 -2.097 57 HA2 GLY 9 HA2 GLY 9 2.803 13.004 -0.872 58 HA3 GLY 9 HA3 GLY 9 3.972 11.988 -0.042 59 H ALA 10 H ALA 10 6.327 13.259 -0.420 60 HA ALA 10 HA ALA 10 6.233 15.336 1.474 61 HB1 ALA 10 HB1 ALA 10 8.468 14.797 -0.473 62 HB2 ALA 10 HB2 ALA 10 8.580 15.598 1.094 63 HB3 ALA 10 HB3 ALA 10 8.202 13.877 1.008 64 H LYS 11 H LYS 11 6.620 15.405 -2.055 65 HA LYS 11 HA LYS 11 7.054 18.100 -2.443 66 HB2 LYS 11 HB2 LYS 11 7.178 16.547 -4.283 67 HB3 LYS 11 HB3 LYS 11 5.471 16.154 -4.127 68 HG2 LYS 11 HG2 LYS 11 5.753 17.598 -6.007 69 HG3 LYS 11 HG3 LYS 11 4.930 18.498 -4.731 70 HD2 LYS 11 HD2 LYS 11 6.515 20.021 -5.447 71 HD3 LYS 11 HD3 LYS 11 7.335 19.255 -4.084 72 HE2 LYS 11 HE2 LYS 11 8.349 17.665 -5.787 73 HE3 LYS 11 HE3 LYS 11 7.749 18.769 -7.024 74 HZ1 LYS 11 HZ1 LYS 11 10.105 18.967 -5.551 75 HZ2 LYS 11 HZ2 LYS 11 9.113 20.246 -5.061 76 HZ3 LYS 11 HZ3 LYS 11 9.502 20.056 -6.696 77 H ASN 12 H ASN 12 3.964 16.413 -2.041 78 HA ASN 12 HA ASN 12 2.438 18.845 -2.289 79 HB2 ASN 12 HB2 ASN 12 1.765 16.334 -2.813 80 HB3 ASN 12 HB3 ASN 12 1.265 16.359 -1.124 81 HD21 ASN 12 HD21 ASN 12 -0.693 17.081 -0.688 82 HD22 ASN 12 HD22 ASN 12 -1.689 18.008 -1.752 83 H VAL 13 H VAL 13 3.704 16.847 0.291 84 HA VAL 13 HA VAL 13 2.200 17.928 2.418 85 HB VAL 13 HB VAL 13 4.837 16.501 2.284 86 HG11 VAL 13 HG11 VAL 13 3.591 17.829 4.672 87 HG12 VAL 13 HG12 VAL 13 4.683 16.452 4.829 88 HG13 VAL 13 HG13 VAL 13 5.250 17.948 4.086 89 HG21 VAL 13 HG21 VAL 13 2.559 15.588 3.938 90 HG22 VAL 13 HG22 VAL 13 2.343 15.539 2.188 91 HG23 VAL 13 HG23 VAL 13 3.678 14.663 2.936 92 H GLY 14 H GLY 14 5.275 18.873 0.952 93 HA2 GLY 14 HA2 GLY 14 5.818 20.928 2.875 94 HA3 GLY 14 HA3 GLY 14 6.653 20.683 1.349 95 H THR 15 H THR 15 4.830 21.033 -0.549 96 HA THR 15 HA THR 15 4.551 23.782 -0.780 97 HB THR 15 HB THR 15 4.427 22.143 -2.671 98 HG1 THR 15 HG1 THR 15 3.224 23.542 -3.848 99 HG21 THR 15 HG21 THR 15 2.742 20.662 -1.503 100 HG22 THR 15 HG22 THR 15 2.398 21.023 -3.195 101 HG23 THR 15 HG23 THR 15 1.523 21.866 -1.917 102 H ALA 16 H ALA 16 2.374 21.415 0.607 103 HA ALA 16 HA ALA 16 0.084 23.089 0.746 104 HB1 ALA 16 HB1 ALA 16 -0.156 20.695 0.868 105 HB2 ALA 16 HB2 ALA 16 0.822 20.636 2.335 106 HB3 ALA 16 HB3 ALA 16 -0.759 21.416 2.361 107 H ILE 17 H ILE 17 2.339 22.029 3.304 108 HA ILE 17 HA ILE 17 1.388 23.581 5.372 109 HB ILE 17 HB ILE 17 4.282 22.910 4.827 110 HG12 ILE 17 HG12 ILE 17 2.487 21.414 6.706 111 HG13 ILE 17 HG13 ILE 17 2.440 21.052 4.984 112 HG21 ILE 17 HG21 ILE 17 2.894 23.672 7.394 113 HG22 ILE 17 HG22 ILE 17 4.573 23.155 7.248 114 HG23 ILE 17 HG23 ILE 17 4.047 24.662 6.498 115 HD11 ILE 17 HD11 ILE 17 3.919 19.531 6.143 116 HD12 ILE 17 HD12 ILE 17 4.836 20.555 5.037 117 HD13 ILE 17 HD13 ILE 17 4.856 20.887 6.769 118 H ILE 18 H ILE 18 3.532 24.498 2.739 119 HA ILE 18 HA ILE 18 4.163 27.076 3.807 120 HB ILE 18 HB ILE 18 4.426 26.014 0.992 121 HG12 ILE 18 HG12 ILE 18 6.480 26.350 3.189 122 HG13 ILE 18 HG13 ILE 18 5.780 24.819 2.675 123 HG21 ILE 18 HG21 ILE 18 4.711 28.673 2.038 124 HG22 ILE 18 HG22 ILE 18 6.259 28.082 1.438 125 HG23 ILE 18 HG23 ILE 18 4.853 28.104 0.375 126 HD11 ILE 18 HD11 ILE 18 8.079 26.067 1.696 127 HD12 ILE 18 HD12 ILE 18 7.289 24.618 1.074 128 HD13 ILE 18 HD13 ILE 18 6.872 26.201 0.417 129 H LYS 19 H LYS 19 1.739 25.800 1.610 130 HA LYS 19 HA LYS 19 0.785 28.321 0.698 131 HB2 LYS 19 HB2 LYS 19 0.127 25.525 0.322 132 HB3 LYS 19 HB3 LYS 19 -1.329 26.495 0.509 133 HG2 LYS 19 HG2 LYS 19 -0.706 26.267 -1.831 134 HG3 LYS 19 HG3 LYS 19 -0.612 27.950 -1.305 135 HD2 LYS 19 HD2 LYS 19 1.547 28.058 -1.839 136 HD3 LYS 19 HD3 LYS 19 1.906 26.615 -0.887 137 HE2 LYS 19 HE2 LYS 19 2.538 25.997 -3.034 138 HE3 LYS 19 HE3 LYS 19 0.914 25.325 -2.890 139 HZ1 LYS 19 HZ1 LYS 19 1.862 27.107 -4.808 140 HZ2 LYS 19 HZ2 LYS 19 0.740 27.955 -3.869 141 HZ3 LYS 19 HZ3 LYS 19 0.287 26.514 -4.631 142 H ASN 20 H ASN 20 0.159 26.350 3.492 143 HA ASN 20 HA ASN 20 -2.213 27.858 4.228 144 HB2 ASN 20 HB2 ASN 20 -0.836 25.419 5.235 145 HB3 ASN 20 HB3 ASN 20 -1.780 26.349 6.395 146 HD21 ASN 20 HD21 ASN 20 -2.327 25.758 2.953 147 HD22 ASN 20 HD22 ASN 20 -3.860 24.985 3.150 148 H ALA 21 H ALA 21 1.176 27.655 5.060 149 HA ALA 21 HA ALA 21 1.022 30.184 6.438 150 HB1 ALA 21 HB1 ALA 21 2.399 28.898 8.374 151 HB2 ALA 21 HB2 ALA 21 0.668 29.228 8.445 152 HB3 ALA 21 HB3 ALA 21 1.243 27.648 7.913 153 H LYS 22 H LYS 22 2.339 30.430 4.423 154 HA LYS 22 HA LYS 22 4.846 29.240 4.074 155 HB2 LYS 22 HB2 LYS 22 5.357 31.242 2.665 156 HB3 LYS 22 HB3 LYS 22 3.841 30.447 2.262 157 HG2 LYS 22 HG2 LYS 22 2.793 32.210 3.855 158 HG3 LYS 22 HG3 LYS 22 4.301 33.085 3.579 159 HD2 LYS 22 HD2 LYS 22 2.796 32.011 1.237 160 HD3 LYS 22 HD3 LYS 22 2.216 33.477 2.032 161 HE2 LYS 22 HE2 LYS 22 3.618 34.325 0.401 162 HE3 LYS 22 HE3 LYS 22 4.678 34.265 1.809 163 HZ1 LYS 22 HZ1 LYS 22 5.994 32.785 0.824 164 HZ2 LYS 22 HZ2 LYS 22 5.203 33.169 -0.620 165 HZ3 LYS 22 HZ3 LYS 22 4.701 31.834 0.290 166 H VAL 23 H VAL 23 6.004 29.145 5.986 167 HA VAL 23 HA VAL 23 6.461 31.322 7.714 168 HB VAL 23 HB VAL 23 8.413 29.968 8.537 169 HG11 VAL 23 HG11 VAL 23 6.922 28.004 9.247 170 HG12 VAL 23 HG12 VAL 23 6.410 29.633 9.692 171 HG13 VAL 23 HG13 VAL 23 5.653 28.811 8.327 172 HG21 VAL 23 HG21 VAL 23 8.516 28.881 6.105 173 HG22 VAL 23 HG22 VAL 23 9.106 28.045 7.541 174 HG23 VAL 23 HG23 VAL 23 7.507 27.672 6.898 175 H CYS 24 H CYS 24 9.010 31.757 8.173 176 HA CYS 24 HA CYS 24 9.850 33.316 5.898 177 HB2 CYS 24 HB2 CYS 24 11.482 32.981 8.395 178 HB3 CYS 24 HB3 CYS 24 11.333 34.389 7.349 179 H VAL 25 H VAL 25 11.449 30.842 7.914 180 HA VAL 25 HA VAL 25 13.273 30.289 5.681 181 HB VAL 25 HB VAL 25 13.759 28.894 8.219 182 HG11 VAL 25 HG11 VAL 25 15.182 29.683 5.939 183 HG12 VAL 25 HG12 VAL 25 15.871 30.599 7.280 184 HG13 VAL 25 HG13 VAL 25 15.805 28.838 7.356 185 HG21 VAL 25 HG21 VAL 25 13.722 31.893 8.077 186 HG22 VAL 25 HG22 VAL 25 13.010 30.839 9.299 187 HG23 VAL 25 HG23 VAL 25 14.761 31.025 9.207 188 H TYR 26 H TYR 26 14.065 27.762 6.148 189 HA TYR 26 HA TYR 26 12.149 26.188 4.917 190 HB2 TYR 26 HB2 TYR 26 14.408 25.266 6.706 191 HB3 TYR 26 HB3 TYR 26 13.542 24.261 5.549 192 HD1 TYR 26 HD1 TYR 26 13.697 24.865 3.084 193 HD2 TYR 26 HD2 TYR 26 16.261 26.544 6.036 194 HE1 TYR 26 HE1 TYR 26 15.292 25.506 1.325 195 HE2 TYR 26 HE2 TYR 26 17.862 27.191 4.284 196 HH TYR 26 HH TYR 26 17.317 27.599 1.352 197 H ALA 27 H ALA 27 13.067 26.167 8.362 198 HA ALA 27 HA ALA 27 10.965 24.389 9.107 199 HB1 ALA 27 HB1 ALA 27 11.610 25.317 11.460 200 HB2 ALA 27 HB2 ALA 27 12.734 24.284 10.576 201 HB3 ALA 27 HB3 ALA 27 12.967 26.032 10.589 202 H VAL 28 H VAL 28 11.271 27.281 10.990 203 HA VAL 28 HA VAL 28 8.853 28.484 9.946 204 HB VAL 28 HB VAL 28 7.835 26.866 11.396 205 HG11 VAL 28 HG11 VAL 28 9.094 26.028 13.037 206 HG12 VAL 28 HG12 VAL 28 10.123 27.460 13.089 207 HG13 VAL 28 HG13 VAL 28 8.603 27.433 13.983 208 HG21 VAL 28 HG21 VAL 28 6.382 28.334 12.252 209 HG22 VAL 28 HG22 VAL 28 7.604 29.073 13.287 210 HG23 VAL 28 HG23 VAL 28 7.450 29.580 11.605 211 H CYS 29 H CYS 29 10.546 30.102 9.590 212 HA CYS 29 HA CYS 29 11.572 32.072 10.074 213 HB2 CYS 29 HB2 CYS 29 9.561 31.919 12.309 214 HB3 CYS 29 HB3 CYS 29 10.676 33.275 12.169 215 H VAL 30 H VAL 30 12.380 29.393 11.388 216 HA VAL 30 HA VAL 30 14.559 30.537 12.931 217 HB VAL 30 HB VAL 30 12.861 28.364 14.158 218 HG11 VAL 30 HG11 VAL 30 15.001 28.129 15.026 219 HG12 VAL 30 HG12 VAL 30 15.308 29.867 15.007 220 HG13 VAL 30 HG13 VAL 30 14.214 29.176 16.207 221 HG21 VAL 30 HG21 VAL 30 12.936 31.311 14.799 222 HG22 VAL 30 HG22 VAL 30 11.577 30.422 14.113 223 HG23 VAL 30 HG23 VAL 30 12.113 30.081 15.759 224 H SER 31 H SER 31 16.290 29.017 13.326 225 HA SER 31 HA SER 31 16.197 26.667 11.549 226 HB2 SER 31 HB2 SER 31 18.675 27.099 11.180 227 HB3 SER 31 HB3 SER 31 17.577 28.259 10.433 228 HG SER 31 HG SER 31 19.539 28.771 12.096 229 H HIS 32 H HIS 32 16.201 24.920 12.797 230 HA HIS 32 HA HIS 32 16.943 24.743 15.454 231 HB2 HIS 32 HB2 HIS 32 16.566 22.764 13.260 232 HB3 HIS 32 HB3 HIS 32 17.360 22.209 14.731 233 HD1 HIS 32 HD1 HIS 32 15.182 20.677 14.984 234 HD2 HIS 32 HD2 HIS 32 14.591 24.766 15.419 235 HE1 HIS 32 HE1 HIS 32 12.941 20.918 16.101 236 H LYS 33 H LYS 33 18.917 24.522 12.581 237 HA LYS 33 HA LYS 33 21.198 23.299 13.553 238 HB2 LYS 33 HB2 LYS 33 22.405 24.402 11.786 239 HB3 LYS 33 HB3 LYS 33 20.807 23.976 11.187 240 HG2 LYS 33 HG2 LYS 33 20.632 26.074 10.495 241 HG3 LYS 33 HG3 LYS 33 20.482 26.534 12.192 242 HD2 LYS 33 HD2 LYS 33 22.828 26.958 12.357 243 HD3 LYS 33 HD3 LYS 33 23.122 26.262 10.762 244 HE2 LYS 33 HE2 LYS 33 22.188 28.081 9.659 245 HE3 LYS 33 HE3 LYS 33 21.283 28.602 11.079 246 HZ1 LYS 33 HZ1 LYS 33 23.151 30.063 10.639 247 HZ2 LYS 33 HZ2 LYS 33 24.230 28.766 10.752 248 HZ3 LYS 33 HZ3 LYS 33 23.363 29.265 12.116 Start of MODEL 15 1 H1 GLY 1 H GLY 1 3.901 1.091 -3.416 2 HA2 GLY 1 HA2 GLY 1 6.126 1.522 -3.777 3 HA3 GLY 1 HA3 GLY 1 5.590 2.746 -4.918 4 H PHE 2 H PHE 2 7.201 2.196 -2.040 5 HA PHE 2 HA PHE 2 6.587 4.557 -0.605 6 HB2 PHE 2 HB2 PHE 2 7.622 2.753 0.575 7 HB3 PHE 2 HB3 PHE 2 8.978 2.714 -0.547 8 HD1 PHE 2 HD1 PHE 2 10.686 4.481 -0.487 9 HD2 PHE 2 HD2 PHE 2 7.552 4.294 2.386 10 HE1 PHE 2 HE1 PHE 2 11.944 6.004 0.979 11 HE2 PHE 2 HE2 PHE 2 8.805 5.817 3.857 12 HZ PHE 2 HZ PHE 2 11.004 6.675 3.154 13 H TRP 3 H TRP 3 9.339 3.734 -2.712 14 HA TRP 3 HA TRP 3 10.640 6.193 -2.604 15 HB2 TRP 3 HB2 TRP 3 11.355 3.927 -3.683 16 HB3 TRP 3 HB3 TRP 3 10.593 4.577 -5.132 17 HD1 TRP 3 HD1 TRP 3 12.485 5.371 -6.661 18 HE1 TRP 3 HE1 TRP 3 14.611 6.793 -6.377 19 HE3 TRP 3 HE3 TRP 3 12.337 6.050 -1.596 20 HZ2 TRP 3 HZ2 TRP 3 16.038 8.037 -4.283 21 HZ3 TRP 3 HZ3 TRP 3 14.121 7.367 -0.530 22 HH2 TRP 3 HH2 TRP 3 15.933 8.339 -1.847 23 H SER 4 H SER 4 7.694 5.344 -4.116 24 HA SER 4 HA SER 4 7.763 7.623 -5.939 25 HB2 SER 4 HB2 SER 4 6.757 5.202 -6.371 26 HB3 SER 4 HB3 SER 4 5.330 5.921 -5.624 27 HG SER 4 HG SER 4 6.643 6.635 -8.008 28 H SER 5 H SER 5 6.145 6.515 -3.023 29 HA SER 5 HA SER 5 4.365 8.785 -2.929 30 HB2 SER 5 HB2 SER 5 4.824 6.348 -1.286 31 HB3 SER 5 HB3 SER 5 4.117 7.743 -0.470 32 HG SER 5 HG SER 5 2.312 7.196 -1.369 33 H VAL 6 H VAL 6 7.562 8.113 -1.976 34 HA VAL 6 HA VAL 6 7.717 9.881 0.262 35 HB VAL 6 HB VAL 6 9.318 8.003 -0.157 36 HG11 VAL 6 HG11 VAL 6 9.528 8.638 -2.634 37 HG12 VAL 6 HG12 VAL 6 10.708 9.830 -2.088 38 HG13 VAL 6 HG13 VAL 6 10.984 8.114 -1.789 39 HG21 VAL 6 HG21 VAL 6 9.744 10.476 1.003 40 HG22 VAL 6 HG22 VAL 6 10.741 9.036 1.218 41 HG23 VAL 6 HG23 VAL 6 11.172 10.233 -0.004 42 H TRP 7 H TRP 7 8.476 10.156 -3.183 43 HA TRP 7 HA TRP 7 9.378 12.885 -2.909 44 HB2 TRP 7 HB2 TRP 7 8.831 11.232 -5.384 45 HB3 TRP 7 HB3 TRP 7 9.605 12.814 -5.365 46 HD1 TRP 7 HD1 TRP 7 10.583 9.422 -5.767 47 HE1 TRP 7 HE1 TRP 7 12.996 8.983 -4.985 48 HE3 TRP 7 HE3 TRP 7 11.316 13.648 -2.984 49 HZ2 TRP 7 HZ2 TRP 7 14.950 10.258 -3.397 50 HZ3 TRP 7 HZ3 TRP 7 13.485 13.961 -1.865 51 HH2 TRP 7 HH2 TRP 7 15.263 12.300 -2.068 52 H ASP 8 H ASP 8 6.502 11.201 -4.058 53 HA ASP 8 HA ASP 8 5.205 13.570 -5.006 54 HB2 ASP 8 HB2 ASP 8 4.795 11.066 -5.650 55 HB3 ASP 8 HB3 ASP 8 3.715 11.078 -4.258 56 H GLY 9 H GLY 9 4.943 11.570 -2.085 57 HA2 GLY 9 HA2 GLY 9 2.828 13.020 -0.900 58 HA3 GLY 9 HA3 GLY 9 3.957 11.974 -0.051 59 H ALA 10 H ALA 10 6.344 13.204 -0.365 60 HA ALA 10 HA ALA 10 6.242 15.271 1.541 61 HB1 ALA 10 HB1 ALA 10 8.599 15.472 1.247 62 HB2 ALA 10 HB2 ALA 10 8.190 13.762 1.104 63 HB3 ALA 10 HB3 ALA 10 8.524 14.713 -0.344 64 H LYS 11 H LYS 11 6.731 15.348 -1.975 65 HA LYS 11 HA LYS 11 7.232 18.035 -2.337 66 HB2 LYS 11 HB2 LYS 11 7.390 16.521 -4.190 67 HB3 LYS 11 HB3 LYS 11 5.685 16.106 -4.068 68 HG2 LYS 11 HG2 LYS 11 6.328 18.954 -4.521 69 HG3 LYS 11 HG3 LYS 11 6.641 17.840 -5.853 70 HD2 LYS 11 HD2 LYS 11 4.031 17.611 -4.458 71 HD3 LYS 11 HD3 LYS 11 4.277 19.014 -5.501 72 HE2 LYS 11 HE2 LYS 11 4.797 16.187 -6.396 73 HE3 LYS 11 HE3 LYS 11 3.236 16.983 -6.589 74 HZ1 LYS 11 HZ1 LYS 11 4.000 18.269 -8.248 75 HZ2 LYS 11 HZ2 LYS 11 5.168 17.058 -8.417 76 HZ3 LYS 11 HZ3 LYS 11 5.532 18.469 -7.558 77 H ASN 12 H ASN 12 4.096 16.411 -2.045 78 HA ASN 12 HA ASN 12 2.627 18.873 -2.324 79 HB2 ASN 12 HB2 ASN 12 1.920 16.376 -2.871 80 HB3 ASN 12 HB3 ASN 12 1.374 16.408 -1.197 81 HD21 ASN 12 HD21 ASN 12 -0.666 16.007 -2.492 82 HD22 ASN 12 HD22 ASN 12 -1.581 17.405 -2.932 83 H VAL 13 H VAL 13 3.770 16.840 0.288 84 HA VAL 13 HA VAL 13 2.231 17.948 2.373 85 HB VAL 13 HB VAL 13 4.841 16.470 2.305 86 HG11 VAL 13 HG11 VAL 13 3.588 17.859 4.652 87 HG12 VAL 13 HG12 VAL 13 4.608 16.433 4.856 88 HG13 VAL 13 HG13 VAL 13 5.267 17.891 4.113 89 HG21 VAL 13 HG21 VAL 13 3.631 14.662 2.962 90 HG22 VAL 13 HG22 VAL 13 2.495 15.624 3.907 91 HG23 VAL 13 HG23 VAL 13 2.342 15.552 2.152 92 H GLY 14 H GLY 14 5.408 18.806 1.057 93 HA2 GLY 14 HA2 GLY 14 5.923 20.854 2.978 94 HA3 GLY 14 HA3 GLY 14 6.784 20.608 1.465 95 H THR 15 H THR 15 5.049 21.027 -0.476 96 HA THR 15 HA THR 15 4.791 23.788 -0.643 97 HB THR 15 HB THR 15 4.779 22.250 -2.598 98 HG1 THR 15 HG1 THR 15 3.785 24.514 -2.481 99 HG21 THR 15 HG21 THR 15 3.054 20.700 -1.486 100 HG22 THR 15 HG22 THR 15 2.899 20.994 -3.218 101 HG23 THR 15 HG23 THR 15 1.848 21.840 -2.082 102 H ALA 16 H ALA 16 2.501 21.367 0.474 103 HA ALA 16 HA ALA 16 0.204 22.993 0.549 104 HB1 ALA 16 HB1 ALA 16 -0.096 20.653 0.704 105 HB2 ALA 16 HB2 ALA 16 0.977 20.534 2.099 106 HB3 ALA 16 HB3 ALA 16 -0.595 21.317 2.260 107 H ILE 17 H ILE 17 2.506 22.143 3.135 108 HA ILE 17 HA ILE 17 1.384 23.629 5.186 109 HB ILE 17 HB ILE 17 4.321 23.125 4.694 110 HG12 ILE 17 HG12 ILE 17 2.639 21.582 6.627 111 HG13 ILE 17 HG13 ILE 17 2.540 21.187 4.914 112 HG21 ILE 17 HG21 ILE 17 2.879 24.502 6.823 113 HG22 ILE 17 HG22 ILE 17 3.939 23.220 7.406 114 HG23 ILE 17 HG23 ILE 17 4.595 24.523 6.417 115 HD11 ILE 17 HD11 ILE 17 4.910 20.727 4.853 116 HD12 ILE 17 HD12 ILE 17 5.068 21.207 6.544 117 HD13 ILE 17 HD13 ILE 17 4.134 19.773 6.117 118 H ILE 18 H ILE 18 3.443 24.661 2.542 119 HA ILE 18 HA ILE 18 3.992 27.259 3.574 120 HB ILE 18 HB ILE 18 4.104 26.247 0.730 121 HG12 ILE 18 HG12 ILE 18 6.254 26.570 2.834 122 HG13 ILE 18 HG13 ILE 18 5.616 25.045 2.229 123 HG21 ILE 18 HG21 ILE 18 5.239 28.761 1.946 124 HG22 ILE 18 HG22 ILE 18 5.539 28.192 0.305 125 HG23 ILE 18 HG23 ILE 18 3.912 28.667 0.789 126 HD11 ILE 18 HD11 ILE 18 6.461 26.416 -0.037 127 HD12 ILE 18 HD12 ILE 18 7.710 26.707 1.175 128 HD13 ILE 18 HD13 ILE 18 7.260 25.056 0.751 129 H LYS 19 H LYS 19 1.442 25.875 1.619 130 HA LYS 19 HA LYS 19 0.331 28.332 0.721 131 HB2 LYS 19 HB2 LYS 19 -0.776 25.536 0.941 132 HB3 LYS 19 HB3 LYS 19 -1.728 26.878 0.320 133 HG2 LYS 19 HG2 LYS 19 0.822 25.779 -0.839 134 HG3 LYS 19 HG3 LYS 19 -0.802 25.656 -1.519 135 HD2 LYS 19 HD2 LYS 19 -0.836 28.166 -1.627 136 HD3 LYS 19 HD3 LYS 19 0.873 28.140 -1.186 137 HE2 LYS 19 HE2 LYS 19 1.517 27.457 -3.233 138 HE3 LYS 19 HE3 LYS 19 0.139 26.374 -3.416 139 HZ1 LYS 19 HZ1 LYS 19 -1.164 28.028 -4.284 140 HZ2 LYS 19 HZ2 LYS 19 0.347 28.480 -4.894 141 HZ3 LYS 19 HZ3 LYS 19 -0.292 29.277 -3.546 142 H ASN 20 H ASN 20 -0.014 26.419 3.616 143 HA ASN 20 HA ASN 20 -2.276 28.015 4.534 144 HB2 ASN 20 HB2 ASN 20 -0.991 25.469 5.384 145 HB3 ASN 20 HB3 ASN 20 -1.788 26.425 6.630 146 HD21 ASN 20 HD21 ASN 20 -2.565 25.840 3.224 147 HD22 ASN 20 HD22 ASN 20 -4.146 25.206 3.516 148 H ALA 21 H ALA 21 1.145 27.600 5.088 149 HA ALA 21 HA ALA 21 1.279 29.064 7.525 150 HB1 ALA 21 HB1 ALA 21 3.260 28.065 5.540 151 HB2 ALA 21 HB2 ALA 21 3.769 29.279 6.714 152 HB3 ALA 21 HB3 ALA 21 3.125 27.733 7.267 153 H LYS 22 H LYS 22 1.214 29.943 4.168 154 HA LYS 22 HA LYS 22 2.262 32.586 4.520 155 HB2 LYS 22 HB2 LYS 22 1.452 32.950 2.203 156 HB3 LYS 22 HB3 LYS 22 2.464 31.520 2.362 157 HG2 LYS 22 HG2 LYS 22 0.387 30.149 2.475 158 HG3 LYS 22 HG3 LYS 22 -0.534 31.612 2.117 159 HD2 LYS 22 HD2 LYS 22 1.619 30.417 0.369 160 HD3 LYS 22 HD3 LYS 22 -0.120 30.271 0.102 161 HE2 LYS 22 HE2 LYS 22 -0.282 32.708 -0.112 162 HE3 LYS 22 HE3 LYS 22 1.457 32.843 0.143 163 HZ1 LYS 22 HZ1 LYS 22 1.635 31.303 -1.864 164 HZ2 LYS 22 HZ2 LYS 22 1.205 32.914 -2.151 165 HZ3 LYS 22 HZ3 LYS 22 0.021 31.706 -2.173 166 H VAL 23 H VAL 23 0.566 32.594 6.471 167 HA VAL 23 HA VAL 23 -2.095 33.395 5.724 168 HB VAL 23 HB VAL 23 -0.680 33.510 8.391 169 HG11 VAL 23 HG11 VAL 23 -3.068 33.685 9.252 170 HG12 VAL 23 HG12 VAL 23 -2.382 35.132 8.511 171 HG13 VAL 23 HG13 VAL 23 -3.515 34.128 7.605 172 HG21 VAL 23 HG21 VAL 23 -1.097 31.333 8.513 173 HG22 VAL 23 HG22 VAL 23 -2.822 31.666 8.357 174 HG23 VAL 23 HG23 VAL 23 -1.849 31.365 6.918 175 H CYS 24 H CYS 24 0.162 35.153 7.830 176 HA CYS 24 HA CYS 24 -0.904 37.676 6.932 177 HB2 CYS 24 HB2 CYS 24 1.513 37.378 8.694 178 HB3 CYS 24 HB3 CYS 24 0.302 38.656 8.688 179 H VAL 25 H VAL 25 2.239 36.027 6.773 180 HA VAL 25 HA VAL 25 2.958 37.813 4.541 181 HB VAL 25 HB VAL 25 5.203 36.625 6.025 182 HG11 VAL 25 HG11 VAL 25 6.281 38.285 5.012 183 HG12 VAL 25 HG12 VAL 25 4.765 38.695 4.206 184 HG13 VAL 25 HG13 VAL 25 5.206 39.491 5.718 185 HG21 VAL 25 HG21 VAL 25 3.743 37.137 7.903 186 HG22 VAL 25 HG22 VAL 25 5.105 38.257 7.855 187 HG23 VAL 25 HG23 VAL 25 3.514 38.778 7.298 188 H TYR 26 H TYR 26 5.219 36.643 3.648 189 HA TYR 26 HA TYR 26 4.208 34.324 2.306 190 HB2 TYR 26 HB2 TYR 26 7.049 35.338 2.232 191 HB3 TYR 26 HB3 TYR 26 6.205 34.394 1.008 192 HD1 TYR 26 HD1 TYR 26 6.824 37.716 2.338 193 HD2 TYR 26 HD2 TYR 26 4.472 35.463 -0.399 194 HE1 TYR 26 HE1 TYR 26 6.175 39.794 1.194 195 HE2 TYR 26 HE2 TYR 26 3.817 37.535 -1.551 196 HH TYR 26 HH TYR 26 3.636 40.042 -0.866 197 H ALA 27 H ALA 27 6.615 34.935 4.812 198 HA ALA 27 HA ALA 27 7.683 32.331 4.942 199 HB1 ALA 27 HB1 ALA 27 8.380 33.029 7.267 200 HB2 ALA 27 HB2 ALA 27 8.916 34.078 5.953 201 HB3 ALA 27 HB3 ALA 27 7.550 34.556 6.963 202 H VAL 28 H VAL 28 6.153 33.527 7.840 203 HA VAL 28 HA VAL 28 4.027 31.551 7.728 204 HB VAL 28 HB VAL 28 6.059 31.451 9.960 205 HG11 VAL 28 HG11 VAL 28 4.508 29.130 9.902 206 HG12 VAL 28 HG12 VAL 28 4.430 30.437 11.084 207 HG13 VAL 28 HG13 VAL 28 3.371 30.458 9.674 208 HG21 VAL 28 HG21 VAL 28 6.653 29.235 9.033 209 HG22 VAL 28 HG22 VAL 28 5.629 29.574 7.637 210 HG23 VAL 28 HG23 VAL 28 7.054 30.565 7.947 211 H CYS 29 H CYS 29 3.182 33.895 7.666 212 HA CYS 29 HA CYS 29 1.880 35.463 8.678 213 HB2 CYS 29 HB2 CYS 29 1.337 33.285 10.094 214 HB3 CYS 29 HB3 CYS 29 2.166 34.185 11.359 215 H VAL 30 H VAL 30 4.997 35.194 9.020 216 HA VAL 30 HA VAL 30 5.248 37.700 10.466 217 HB VAL 30 HB VAL 30 5.559 35.581 12.027 218 HG11 VAL 30 HG11 VAL 30 7.653 34.609 12.068 219 HG12 VAL 30 HG12 VAL 30 7.378 34.797 10.335 220 HG13 VAL 30 HG13 VAL 30 8.406 35.944 11.195 221 HG21 VAL 30 HG21 VAL 30 7.724 37.551 12.415 222 HG22 VAL 30 HG22 VAL 30 6.094 38.204 12.257 223 HG23 VAL 30 HG23 VAL 30 6.454 37.027 13.520 224 H SER 31 H SER 31 7.712 38.307 10.508 225 HA SER 31 HA SER 31 8.820 37.640 7.859 226 HB2 SER 31 HB2 SER 31 9.778 39.905 7.807 227 HB3 SER 31 HB3 SER 31 8.024 39.964 7.980 228 HG SER 31 HG SER 31 8.234 40.571 10.060 229 H HIS 32 H HIS 32 10.114 35.959 8.639 230 HA HIS 32 HA HIS 32 11.773 35.996 10.858 231 HB2 HIS 32 HB2 HIS 32 11.848 34.540 8.245 232 HB3 HIS 32 HB3 HIS 32 13.228 34.415 9.332 233 HD1 HIS 32 HD1 HIS 32 12.103 31.817 9.037 234 HD2 HIS 32 HD2 HIS 32 10.313 34.540 11.615 235 HE1 HIS 32 HE1 HIS 32 10.725 30.435 10.624 236 H LYS 33 H LYS 33 12.226 37.430 7.703 237 HA LYS 33 HA LYS 33 14.958 37.887 7.693 238 HB2 LYS 33 HB2 LYS 33 12.744 39.662 6.649 239 HB3 LYS 33 HB3 LYS 33 14.447 39.845 6.245 240 HG2 LYS 33 HG2 LYS 33 14.255 37.374 5.464 241 HG3 LYS 33 HG3 LYS 33 12.524 37.718 5.421 242 HD2 LYS 33 HD2 LYS 33 12.843 39.491 3.851 243 HD3 LYS 33 HD3 LYS 33 14.597 39.410 4.033 244 HE2 LYS 33 HE2 LYS 33 14.653 37.237 3.000 245 HE3 LYS 33 HE3 LYS 33 12.892 37.169 2.956 246 HZ1 LYS 33 HZ1 LYS 33 14.678 38.937 1.389 247 HZ2 LYS 33 HZ2 LYS 33 13.012 39.201 1.508 248 HZ3 LYS 33 HZ3 LYS 33 13.594 37.775 0.808 Start of MODEL 16 1 H1 GLY 1 H GLY 1 3.820 2.253 -2.758 2 HA2 GLY 1 HA2 GLY 1 6.247 1.545 -3.734 3 HA3 GLY 1 HA3 GLY 1 5.705 2.758 -4.885 4 H PHE 2 H PHE 2 7.368 2.252 -2.046 5 HA PHE 2 HA PHE 2 6.738 4.606 -0.601 6 HB2 PHE 2 HB2 PHE 2 7.821 2.823 0.566 7 HB3 PHE 2 HB3 PHE 2 9.156 2.799 -0.581 8 HD1 PHE 2 HD1 PHE 2 10.834 4.599 -0.564 9 HD2 PHE 2 HD2 PHE 2 7.767 4.360 2.378 10 HE1 PHE 2 HE1 PHE 2 12.097 6.145 0.874 11 HE2 PHE 2 HE2 PHE 2 9.025 5.906 3.820 12 HZ PHE 2 HZ PHE 2 11.193 6.802 3.069 13 H TRP 3 H TRP 3 9.457 3.819 -2.762 14 HA TRP 3 HA TRP 3 10.728 6.294 -2.682 15 HB2 TRP 3 HB2 TRP 3 11.457 4.042 -3.772 16 HB3 TRP 3 HB3 TRP 3 10.645 4.668 -5.205 17 HD1 TRP 3 HD1 TRP 3 12.481 5.487 -6.788 18 HE1 TRP 3 HE1 TRP 3 14.587 6.950 -6.569 19 HE3 TRP 3 HE3 TRP 3 12.454 6.197 -1.725 20 HZ2 TRP 3 HZ2 TRP 3 16.045 8.234 -4.521 21 HZ3 TRP 3 HZ3 TRP 3 14.240 7.555 -0.715 22 HH2 TRP 3 HH2 TRP 3 15.998 8.551 -2.086 23 H SER 4 H SER 4 7.767 5.399 -4.144 24 HA SER 4 HA SER 4 7.767 7.689 -5.956 25 HB2 SER 4 HB2 SER 4 6.119 5.228 -5.653 26 HB3 SER 4 HB3 SER 4 5.326 6.655 -6.323 27 HG SER 4 HG SER 4 6.216 6.006 -8.115 28 H SER 5 H SER 5 6.242 6.544 -3.010 29 HA SER 5 HA SER 5 4.403 8.765 -2.879 30 HB2 SER 5 HB2 SER 5 3.708 6.624 -1.957 31 HB3 SER 5 HB3 SER 5 5.091 6.614 -0.862 32 HG SER 5 HG SER 5 3.604 7.463 0.411 33 H VAL 6 H VAL 6 7.634 8.169 -1.986 34 HA VAL 6 HA VAL 6 7.790 9.944 0.246 35 HB VAL 6 HB VAL 6 9.427 8.102 -0.214 36 HG11 VAL 6 HG11 VAL 6 10.728 9.985 -2.155 37 HG12 VAL 6 HG12 VAL 6 11.074 8.279 -1.866 38 HG13 VAL 6 HG13 VAL 6 9.586 8.751 -2.686 39 HG21 VAL 6 HG21 VAL 6 11.239 10.356 -0.066 40 HG22 VAL 6 HG22 VAL 6 9.814 10.593 0.945 41 HG23 VAL 6 HG23 VAL 6 10.823 9.163 1.164 42 H TRP 7 H TRP 7 8.471 10.235 -3.214 43 HA TRP 7 HA TRP 7 9.313 12.985 -2.958 44 HB2 TRP 7 HB2 TRP 7 8.755 11.321 -5.424 45 HB3 TRP 7 HB3 TRP 7 9.497 12.918 -5.417 46 HD1 TRP 7 HD1 TRP 7 10.533 9.542 -5.834 47 HE1 TRP 7 HE1 TRP 7 12.969 9.152 -5.101 48 HE3 TRP 7 HE3 TRP 7 11.241 13.790 -3.079 49 HZ2 TRP 7 HZ2 TRP 7 14.931 10.470 -3.559 50 HZ3 TRP 7 HZ3 TRP 7 13.427 14.149 -2.007 51 HH2 TRP 7 HH2 TRP 7 15.232 12.522 -2.243 52 H ASP 8 H ASP 8 6.454 11.230 -4.036 53 HA ASP 8 HA ASP 8 5.081 13.562 -4.969 54 HB2 ASP 8 HB2 ASP 8 4.372 11.568 -5.984 55 HB3 ASP 8 HB3 ASP 8 4.271 10.714 -4.447 56 H GLY 9 H GLY 9 4.928 11.574 -2.032 57 HA2 GLY 9 HA2 GLY 9 2.808 12.982 -0.806 58 HA3 GLY 9 HA3 GLY 9 3.984 11.973 0.023 59 H ALA 10 H ALA 10 6.330 13.255 -0.346 60 HA ALA 10 HA ALA 10 6.218 15.337 1.542 61 HB1 ALA 10 HB1 ALA 10 8.587 15.674 1.045 62 HB2 ALA 10 HB2 ALA 10 8.205 13.961 1.220 63 HB3 ALA 10 HB3 ALA 10 8.435 14.653 -0.385 64 H LYS 11 H LYS 11 6.616 15.393 -1.985 65 HA LYS 11 HA LYS 11 7.048 18.087 -2.383 66 HB2 LYS 11 HB2 LYS 11 7.166 16.484 -4.201 67 HB3 LYS 11 HB3 LYS 11 5.441 16.165 -4.075 68 HG2 LYS 11 HG2 LYS 11 5.755 17.581 -5.944 69 HG3 LYS 11 HG3 LYS 11 5.048 18.569 -4.663 70 HD2 LYS 11 HD2 LYS 11 6.718 19.973 -5.322 71 HD3 LYS 11 HD3 LYS 11 7.608 19.027 -4.127 72 HE2 LYS 11 HE2 LYS 11 7.527 18.182 -7.000 73 HE3 LYS 11 HE3 LYS 11 8.657 19.423 -6.461 74 HZ1 LYS 11 HZ1 LYS 11 9.292 17.702 -4.687 75 HZ2 LYS 11 HZ2 LYS 11 9.861 17.475 -6.263 76 HZ3 LYS 11 HZ3 LYS 11 8.542 16.576 -5.703 77 H ASN 12 H ASN 12 3.960 16.396 -1.984 78 HA ASN 12 HA ASN 12 2.431 18.827 -2.245 79 HB2 ASN 12 HB2 ASN 12 1.764 16.313 -2.766 80 HB3 ASN 12 HB3 ASN 12 1.257 16.341 -1.079 81 HD21 ASN 12 HD21 ASN 12 0.870 17.967 -4.177 82 HD22 ASN 12 HD22 ASN 12 -0.732 18.541 -3.881 83 H VAL 13 H VAL 13 3.687 16.833 0.345 84 HA VAL 13 HA VAL 13 2.174 17.923 2.462 85 HB VAL 13 HB VAL 13 4.809 16.490 2.345 86 HG11 VAL 13 HG11 VAL 13 5.193 17.960 4.146 87 HG12 VAL 13 HG12 VAL 13 3.539 17.794 4.739 88 HG13 VAL 13 HG13 VAL 13 4.667 16.445 4.879 89 HG21 VAL 13 HG21 VAL 13 2.641 15.500 4.041 90 HG22 VAL 13 HG22 VAL 13 2.220 15.610 2.332 91 HG23 VAL 13 HG23 VAL 13 3.615 14.656 2.837 92 H GLY 14 H GLY 14 5.232 18.876 0.978 93 HA2 GLY 14 HA2 GLY 14 5.781 20.928 2.911 94 HA3 GLY 14 HA3 GLY 14 6.622 20.676 1.388 95 H THR 15 H THR 15 4.787 21.013 -0.512 96 HA THR 15 HA THR 15 4.518 23.766 -0.754 97 HB THR 15 HB THR 15 4.402 22.120 -2.640 98 HG1 THR 15 HG1 THR 15 3.711 23.904 -3.540 99 HG21 THR 15 HG21 THR 15 2.706 20.648 -1.475 100 HG22 THR 15 HG22 THR 15 2.374 21.001 -3.171 101 HG23 THR 15 HG23 THR 15 1.493 21.853 -1.903 102 H ALA 16 H ALA 16 2.333 21.403 0.627 103 HA ALA 16 HA ALA 16 0.052 23.095 0.759 104 HB1 ALA 16 HB1 ALA 16 -0.704 21.391 2.495 105 HB2 ALA 16 HB2 ALA 16 -0.381 20.791 0.868 106 HB3 ALA 16 HB3 ALA 16 0.803 20.542 2.150 107 H ILE 17 H ILE 17 2.237 21.953 3.343 108 HA ILE 17 HA ILE 17 1.289 23.518 5.403 109 HB ILE 17 HB ILE 17 4.168 22.745 4.914 110 HG12 ILE 17 HG12 ILE 17 2.246 21.323 6.733 111 HG13 ILE 17 HG13 ILE 17 2.291 20.944 5.014 112 HG21 ILE 17 HG21 ILE 17 2.740 23.658 7.405 113 HG22 ILE 17 HG22 ILE 17 4.341 22.920 7.396 114 HG23 ILE 17 HG23 ILE 17 4.077 24.461 6.580 115 HD11 ILE 17 HD11 ILE 17 3.662 19.375 6.155 116 HD12 ILE 17 HD12 ILE 17 4.725 20.468 5.268 117 HD13 ILE 17 HD13 ILE 17 4.519 20.657 7.009 118 H ILE 18 H ILE 18 3.497 24.390 2.813 119 HA ILE 18 HA ILE 18 4.122 26.966 3.938 120 HB ILE 18 HB ILE 18 4.642 25.853 1.179 121 HG12 ILE 18 HG12 ILE 18 6.438 26.171 3.594 122 HG13 ILE 18 HG13 ILE 18 5.830 24.651 2.948 123 HG21 ILE 18 HG21 ILE 18 5.677 28.366 2.485 124 HG22 ILE 18 HG22 ILE 18 6.224 27.718 0.940 125 HG23 ILE 18 HG23 ILE 18 4.561 28.277 1.122 126 HD11 ILE 18 HD11 ILE 18 8.128 24.991 2.298 127 HD12 ILE 18 HD12 ILE 18 7.082 25.052 0.879 128 HD13 ILE 18 HD13 ILE 18 7.719 26.544 1.571 129 H LYS 19 H LYS 19 1.836 25.660 1.640 130 HA LYS 19 HA LYS 19 1.032 28.147 0.515 131 HB2 LYS 19 HB2 LYS 19 0.565 26.209 -0.763 132 HB3 LYS 19 HB3 LYS 19 -0.218 25.408 0.593 133 HG2 LYS 19 HG2 LYS 19 -1.455 27.936 -0.245 134 HG3 LYS 19 HG3 LYS 19 -1.530 26.626 -1.425 135 HD2 LYS 19 HD2 LYS 19 -2.187 25.364 0.926 136 HD3 LYS 19 HD3 LYS 19 -2.940 26.950 1.112 137 HE2 LYS 19 HE2 LYS 19 -3.265 25.464 -1.456 138 HE3 LYS 19 HE3 LYS 19 -4.224 24.987 -0.056 139 HZ1 LYS 19 HZ1 LYS 19 -4.702 27.539 0.036 140 HZ2 LYS 19 HZ2 LYS 19 -5.584 26.535 -1.000 141 HZ3 LYS 19 HZ3 LYS 19 -4.314 27.471 -1.609 142 H ASN 20 H ASN 20 0.285 26.487 3.440 143 HA ASN 20 HA ASN 20 -2.110 28.088 3.911 144 HB2 ASN 20 HB2 ASN 20 -0.882 25.691 5.209 145 HB3 ASN 20 HB3 ASN 20 -1.957 26.710 6.162 146 HD21 ASN 20 HD21 ASN 20 -1.898 25.454 2.839 147 HD22 ASN 20 HD22 ASN 20 -3.516 24.849 2.861 148 H ALA 21 H ALA 21 1.235 28.004 4.705 149 HA ALA 21 HA ALA 21 1.000 29.658 7.061 150 HB1 ALA 21 HB1 ALA 21 3.437 28.846 5.480 151 HB2 ALA 21 HB2 ALA 21 3.447 29.655 7.047 152 HB3 ALA 21 HB3 ALA 21 2.798 28.022 6.902 153 H LYS 22 H LYS 22 3.005 30.219 4.180 154 HA LYS 22 HA LYS 22 3.234 32.943 4.402 155 HB2 LYS 22 HB2 LYS 22 3.376 31.034 2.126 156 HB3 LYS 22 HB3 LYS 22 3.273 32.746 1.733 157 HG2 LYS 22 HG2 LYS 22 5.572 32.144 1.791 158 HG3 LYS 22 HG3 LYS 22 5.240 33.131 3.216 159 HD2 LYS 22 HD2 LYS 22 5.276 31.256 4.647 160 HD3 LYS 22 HD3 LYS 22 5.176 30.125 3.295 161 HE2 LYS 22 HE2 LYS 22 7.413 30.863 2.557 162 HE3 LYS 22 HE3 LYS 22 7.508 31.918 3.967 163 HZ1 LYS 22 HZ1 LYS 22 7.959 29.097 3.770 164 HZ2 LYS 22 HZ2 LYS 22 6.878 29.486 5.012 165 HZ3 LYS 22 HZ3 LYS 22 8.421 30.180 4.985 166 H VAL 23 H VAL 23 0.727 31.153 2.627 167 HA VAL 23 HA VAL 23 -0.697 33.572 1.956 168 HB VAL 23 HB VAL 23 -1.937 30.863 1.712 169 HG11 VAL 23 HG11 VAL 23 -2.528 33.458 0.821 170 HG12 VAL 23 HG12 VAL 23 -2.046 32.544 -0.609 171 HG13 VAL 23 HG13 VAL 23 -3.362 31.960 0.410 172 HG21 VAL 23 HG21 VAL 23 0.239 30.361 0.930 173 HG22 VAL 23 HG22 VAL 23 -0.740 30.654 -0.507 174 HG23 VAL 23 HG23 VAL 23 0.366 31.898 0.075 175 H CYS 24 H CYS 24 -1.453 34.578 3.762 176 HA CYS 24 HA CYS 24 -2.783 33.106 5.859 177 HB2 CYS 24 HB2 CYS 24 -2.838 36.097 5.601 178 HB3 CYS 24 HB3 CYS 24 -2.825 35.112 7.060 179 H VAL 25 H VAL 25 -3.668 34.749 2.966 180 HA VAL 25 HA VAL 25 -6.507 34.327 3.621 181 HB VAL 25 HB VAL 25 -6.015 36.513 1.736 182 HG11 VAL 25 HG11 VAL 25 -7.589 37.495 3.708 183 HG12 VAL 25 HG12 VAL 25 -8.184 36.556 2.338 184 HG13 VAL 25 HG13 VAL 25 -7.878 35.765 3.884 185 HG21 VAL 25 HG21 VAL 25 -5.050 36.716 4.578 186 HG22 VAL 25 HG22 VAL 25 -4.164 37.080 3.098 187 HG23 VAL 25 HG23 VAL 25 -5.487 38.125 3.612 188 H TYR 26 H TYR 26 -7.611 35.043 1.214 189 HA TYR 26 HA TYR 26 -7.324 32.744 -0.325 190 HB2 TYR 26 HB2 TYR 26 -8.319 35.435 -1.281 191 HB3 TYR 26 HB3 TYR 26 -8.676 33.870 -2.003 192 HD1 TYR 26 HD1 TYR 26 -10.012 32.195 -0.640 193 HD2 TYR 26 HD2 TYR 26 -9.649 36.290 0.457 194 HE1 TYR 26 HE1 TYR 26 -11.996 31.980 0.798 195 HE2 TYR 26 HE2 TYR 26 -11.632 36.086 1.898 196 HH TYR 26 HH TYR 26 -13.600 34.679 2.132 197 H ALA 27 H ALA 27 -6.184 36.029 -1.123 198 HA ALA 27 HA ALA 27 -4.695 35.220 -3.388 199 HB1 ALA 27 HB1 ALA 27 -5.208 37.459 -3.446 200 HB2 ALA 27 HB2 ALA 27 -4.837 37.700 -1.738 201 HB3 ALA 27 HB3 ALA 27 -3.529 37.513 -2.906 202 H VAL 28 H VAL 28 -2.947 37.005 -0.969 203 HA VAL 28 HA VAL 28 -1.311 34.746 -0.188 204 HB VAL 28 HB VAL 28 0.761 36.255 -0.890 205 HG11 VAL 28 HG11 VAL 28 -0.230 34.773 -3.213 206 HG12 VAL 28 HG12 VAL 28 1.242 34.550 -2.267 207 HG13 VAL 28 HG13 VAL 28 -0.284 33.871 -1.699 208 HG21 VAL 28 HG21 VAL 28 -1.164 36.802 -3.137 209 HG22 VAL 28 HG22 VAL 28 -0.802 37.975 -1.871 210 HG23 VAL 28 HG23 VAL 28 0.480 37.410 -2.943 211 H CYS 29 H CYS 29 -2.356 35.542 1.805 212 HA CYS 29 HA CYS 29 -2.190 36.526 3.850 213 HB2 CYS 29 HB2 CYS 29 0.360 36.180 3.163 214 HB3 CYS 29 HB3 CYS 29 0.338 37.940 3.146 215 H VAL 30 H VAL 30 -2.968 38.007 1.202 216 HA VAL 30 HA VAL 30 -3.590 40.511 2.547 217 HB VAL 30 HB VAL 30 -2.348 40.618 -0.194 218 HG11 VAL 30 HG11 VAL 30 -3.553 42.563 0.108 219 HG12 VAL 30 HG12 VAL 30 -3.240 42.613 1.844 220 HG13 VAL 30 HG13 VAL 30 -1.961 43.030 0.703 221 HG21 VAL 30 HG21 VAL 30 -0.664 39.748 1.330 222 HG22 VAL 30 HG22 VAL 30 -0.287 41.411 0.878 223 HG23 VAL 30 HG23 VAL 30 -0.985 41.064 2.460 224 H SER 31 H SER 31 -5.196 41.791 1.370 225 HA SER 31 HA SER 31 -6.767 40.189 -0.536 226 HB2 SER 31 HB2 SER 31 -8.752 41.503 0.662 227 HB3 SER 31 HB3 SER 31 -8.161 39.960 1.276 228 HG SER 31 HG SER 31 -7.931 41.092 3.046 229 H HIS 32 H HIS 32 -6.735 41.221 -2.415 230 HA HIS 32 HA HIS 32 -6.292 44.055 -2.598 231 HB2 HIS 32 HB2 HIS 32 -6.727 41.858 -4.605 232 HB3 HIS 32 HB3 HIS 32 -6.726 43.548 -5.103 233 HD1 HIS 32 HD1 HIS 32 -4.564 43.503 -6.412 234 HD2 HIS 32 HD2 HIS 32 -4.133 42.123 -2.517 235 HE1 HIS 32 HE1 HIS 32 -2.085 43.288 -6.045 236 H LYS 33 H LYS 33 -7.974 45.230 -1.828 237 HA LYS 33 HA LYS 33 -10.666 44.641 -2.840 238 HB2 LYS 33 HB2 LYS 33 -10.428 44.825 -0.401 239 HB3 LYS 33 HB3 LYS 33 -9.789 46.453 -0.583 240 HG2 LYS 33 HG2 LYS 33 -12.047 46.689 0.044 241 HG3 LYS 33 HG3 LYS 33 -11.973 47.065 -1.679 242 HD2 LYS 33 HD2 LYS 33 -12.497 44.243 -0.968 243 HD3 LYS 33 HD3 LYS 33 -13.784 45.396 -0.605 244 HE2 LYS 33 HE2 LYS 33 -12.505 45.557 -3.278 245 HE3 LYS 33 HE3 LYS 33 -13.568 44.185 -2.967 246 HZ1 LYS 33 HZ1 LYS 33 -15.059 46.182 -2.045 247 HZ2 LYS 33 HZ2 LYS 33 -15.132 45.632 -3.643 248 HZ3 LYS 33 HZ3 LYS 33 -14.214 47.000 -3.261 Start of MODEL 17 1 H1 GLY 1 H GLY 1 4.151 3.379 -5.261 2 HA2 GLY 1 HA2 GLY 1 5.927 1.566 -3.810 3 HA3 GLY 1 HA3 GLY 1 6.392 2.662 -5.103 4 H PHE 2 H PHE 2 7.501 2.207 -2.372 5 HA PHE 2 HA PHE 2 6.904 4.414 -0.723 6 HB2 PHE 2 HB2 PHE 2 8.004 2.682 0.382 7 HB3 PHE 2 HB3 PHE 2 9.196 2.489 -0.899 8 HD1 PHE 2 HD1 PHE 2 8.143 5.546 0.938 9 HD2 PHE 2 HD2 PHE 2 11.254 2.758 0.122 10 HE1 PHE 2 HE1 PHE 2 9.723 6.943 2.205 11 HE2 PHE 2 HE2 PHE 2 12.838 4.151 1.388 12 HZ PHE 2 HZ PHE 2 12.074 6.246 2.432 13 H TRP 3 H TRP 3 9.693 3.860 -2.875 14 HA TRP 3 HA TRP 3 10.842 6.388 -2.589 15 HB2 TRP 3 HB2 TRP 3 11.769 4.246 -3.721 16 HB3 TRP 3 HB3 TRP 3 10.979 4.857 -5.172 17 HD1 TRP 3 HD1 TRP 3 12.810 5.855 -6.652 18 HE1 TRP 3 HE1 TRP 3 14.805 7.443 -6.300 19 HE3 TRP 3 HE3 TRP 3 12.543 6.383 -1.574 20 HZ2 TRP 3 HZ2 TRP 3 16.095 8.747 -4.155 21 HZ3 TRP 3 HZ3 TRP 3 14.195 7.818 -0.449 22 HH2 TRP 3 HH2 TRP 3 15.934 8.974 -1.714 23 H SER 4 H SER 4 7.978 5.467 -4.170 24 HA SER 4 HA SER 4 7.975 7.794 -5.936 25 HB2 SER 4 HB2 SER 4 7.090 5.342 -6.455 26 HB3 SER 4 HB3 SER 4 5.619 5.973 -5.715 27 HG SER 4 HG SER 4 5.454 7.475 -7.295 28 H SER 5 H SER 5 6.394 6.538 -3.066 29 HA SER 5 HA SER 5 4.476 8.686 -2.940 30 HB2 SER 5 HB2 SER 5 3.995 6.403 -2.057 31 HB3 SER 5 HB3 SER 5 5.208 6.669 -0.805 32 HG SER 5 HG SER 5 3.434 7.339 0.189 33 H VAL 6 H VAL 6 7.709 8.199 -1.965 34 HA VAL 6 HA VAL 6 7.751 9.960 0.277 35 HB VAL 6 HB VAL 6 9.477 8.218 -0.120 36 HG11 VAL 6 HG11 VAL 6 9.584 8.824 -2.628 37 HG12 VAL 6 HG12 VAL 6 10.742 10.055 -2.119 38 HG13 VAL 6 HG13 VAL 6 11.070 8.350 -1.805 39 HG21 VAL 6 HG21 VAL 6 10.588 9.459 1.351 40 HG22 VAL 6 HG22 VAL 6 11.359 10.295 0.003 41 HG23 VAL 6 HG23 VAL 6 9.876 10.939 0.707 42 H TRP 7 H TRP 7 8.492 10.324 -3.165 43 HA TRP 7 HA TRP 7 9.210 13.102 -2.865 44 HB2 TRP 7 HB2 TRP 7 8.749 11.444 -5.354 45 HB3 TRP 7 HB3 TRP 7 9.415 13.074 -5.327 46 HD1 TRP 7 HD1 TRP 7 10.594 9.724 -5.712 47 HE1 TRP 7 HE1 TRP 7 13.046 9.455 -4.979 48 HE3 TRP 7 HE3 TRP 7 11.120 14.048 -3.035 49 HZ2 TRP 7 HZ2 TRP 7 14.952 10.885 -3.466 50 HZ3 TRP 7 HZ3 TRP 7 13.290 14.522 -1.976 51 HH2 TRP 7 HH2 TRP 7 15.165 12.972 -2.188 52 H ASP 8 H ASP 8 6.432 11.251 -3.992 53 HA ASP 8 HA ASP 8 4.977 13.524 -4.934 54 HB2 ASP 8 HB2 ASP 8 4.361 10.636 -4.472 55 HB3 ASP 8 HB3 ASP 8 3.022 11.765 -4.667 56 H GLY 9 H GLY 9 4.854 11.546 -1.984 57 HA2 GLY 9 HA2 GLY 9 2.701 12.918 -0.779 58 HA3 GLY 9 HA3 GLY 9 3.888 11.933 0.062 59 H ALA 10 H ALA 10 6.214 13.267 -0.314 60 HA ALA 10 HA ALA 10 6.059 15.342 1.578 61 HB1 ALA 10 HB1 ALA 10 8.062 13.895 1.032 62 HB2 ALA 10 HB2 ALA 10 8.332 14.955 -0.351 63 HB3 ALA 10 HB3 ALA 10 8.385 15.610 1.285 64 H LYS 11 H LYS 11 6.459 15.419 -1.949 65 HA LYS 11 HA LYS 11 6.818 18.126 -2.335 66 HB2 LYS 11 HB2 LYS 11 6.994 16.548 -4.163 67 HB3 LYS 11 HB3 LYS 11 5.285 16.155 -4.038 68 HG2 LYS 11 HG2 LYS 11 5.565 17.594 -5.906 69 HG3 LYS 11 HG3 LYS 11 4.773 18.524 -4.632 70 HD2 LYS 11 HD2 LYS 11 7.115 19.321 -3.998 71 HD3 LYS 11 HD3 LYS 11 7.632 18.662 -5.552 72 HE2 LYS 11 HE2 LYS 11 5.344 20.595 -5.330 73 HE3 LYS 11 HE3 LYS 11 7.015 21.144 -5.454 74 HZ1 LYS 11 HZ1 LYS 11 6.234 19.172 -7.419 75 HZ2 LYS 11 HZ2 LYS 11 7.117 20.602 -7.611 76 HZ3 LYS 11 HZ3 LYS 11 5.427 20.653 -7.553 77 H ASN 12 H ASN 12 3.777 16.347 -1.959 78 HA ASN 12 HA ASN 12 2.178 18.730 -2.222 79 HB2 ASN 12 HB2 ASN 12 1.588 16.196 -2.738 80 HB3 ASN 12 HB3 ASN 12 1.076 16.213 -1.053 81 HD21 ASN 12 HD21 ASN 12 0.734 18.051 -4.060 82 HD22 ASN 12 HD22 ASN 12 -0.918 18.487 -3.808 83 H VAL 13 H VAL 13 3.503 16.793 0.372 84 HA VAL 13 HA VAL 13 1.949 17.819 2.489 85 HB VAL 13 HB VAL 13 4.641 16.501 2.363 86 HG11 VAL 13 HG11 VAL 13 4.524 16.476 4.902 87 HG12 VAL 13 HG12 VAL 13 4.995 17.999 4.145 88 HG13 VAL 13 HG13 VAL 13 3.354 17.787 4.755 89 HG21 VAL 13 HG21 VAL 13 2.643 15.377 4.126 90 HG22 VAL 13 HG22 VAL 13 2.021 15.578 2.489 91 HG23 VAL 13 HG23 VAL 13 3.486 14.638 2.765 92 H GLY 14 H GLY 14 5.171 18.756 1.287 93 HA2 GLY 14 HA2 GLY 14 5.502 20.903 3.115 94 HA3 GLY 14 HA3 GLY 14 6.422 20.652 1.638 95 H THR 15 H THR 15 4.745 20.940 -0.371 96 HA THR 15 HA THR 15 4.403 23.650 -0.703 97 HB THR 15 HB THR 15 4.310 21.879 -2.507 98 HG1 THR 15 HG1 THR 15 3.627 24.200 -2.683 99 HG21 THR 15 HG21 THR 15 2.185 20.903 -3.075 100 HG22 THR 15 HG22 THR 15 1.385 21.777 -1.769 101 HG23 THR 15 HG23 THR 15 2.550 20.506 -1.397 102 H ALA 16 H ALA 16 2.235 21.343 0.775 103 HA ALA 16 HA ALA 16 -0.037 23.093 0.820 104 HB1 ALA 16 HB1 ALA 16 -0.968 21.384 2.397 105 HB2 ALA 16 HB2 ALA 16 -0.461 20.750 0.831 106 HB3 ALA 16 HB3 ALA 16 0.558 20.511 2.250 107 H ILE 17 H ILE 17 2.573 22.279 3.031 108 HA ILE 17 HA ILE 17 1.447 23.717 5.248 109 HB ILE 17 HB ILE 17 4.264 22.709 4.831 110 HG12 ILE 17 HG12 ILE 17 2.288 21.449 6.684 111 HG13 ILE 17 HG13 ILE 17 2.154 21.115 4.961 112 HG21 ILE 17 HG21 ILE 17 2.863 23.828 7.246 113 HG22 ILE 17 HG22 ILE 17 4.343 22.876 7.345 114 HG23 ILE 17 HG23 ILE 17 4.339 24.411 6.477 115 HD11 ILE 17 HD11 ILE 17 3.445 19.407 6.116 116 HD12 ILE 17 HD12 ILE 17 4.435 20.273 4.940 117 HD13 ILE 17 HD13 ILE 17 4.590 20.632 6.660 118 H ILE 18 H ILE 18 3.624 24.429 2.617 119 HA ILE 18 HA ILE 18 4.552 26.912 3.748 120 HB ILE 18 HB ILE 18 4.807 25.853 0.930 121 HG12 ILE 18 HG12 ILE 18 5.938 24.403 2.507 122 HG13 ILE 18 HG13 ILE 18 7.141 25.340 1.627 123 HG21 ILE 18 HG21 ILE 18 6.573 27.525 0.673 124 HG22 ILE 18 HG22 ILE 18 5.017 28.278 1.021 125 HG23 ILE 18 HG23 ILE 18 6.231 28.135 2.292 126 HD11 ILE 18 HD11 ILE 18 6.655 25.178 4.449 127 HD12 ILE 18 HD12 ILE 18 8.004 25.910 3.579 128 HD13 ILE 18 HD13 ILE 18 6.544 26.848 3.894 129 H LYS 19 H LYS 19 2.054 25.874 1.527 130 HA LYS 19 HA LYS 19 1.407 28.547 0.664 131 HB2 LYS 19 HB2 LYS 19 -0.200 27.568 -0.722 132 HB3 LYS 19 HB3 LYS 19 1.070 26.353 -0.647 133 HG2 LYS 19 HG2 LYS 19 -0.268 25.265 1.205 134 HG3 LYS 19 HG3 LYS 19 -1.585 26.352 0.756 135 HD2 LYS 19 HD2 LYS 19 -0.225 24.628 -1.289 136 HD3 LYS 19 HD3 LYS 19 -1.531 23.997 -0.284 137 HE2 LYS 19 HE2 LYS 19 -1.778 26.510 -1.923 138 HE3 LYS 19 HE3 LYS 19 -2.210 24.915 -2.537 139 HZ1 LYS 19 HZ1 LYS 19 -3.743 24.728 -0.598 140 HZ2 LYS 19 HZ2 LYS 19 -4.173 25.922 -1.715 141 HZ3 LYS 19 HZ3 LYS 19 -3.437 26.356 -0.255 142 H ASN 20 H ASN 20 0.414 26.371 3.180 143 HA ASN 20 HA ASN 20 -2.029 27.757 3.793 144 HB2 ASN 20 HB2 ASN 20 -0.513 25.466 4.935 145 HB3 ASN 20 HB3 ASN 20 -1.607 26.325 6.016 146 HD21 ASN 20 HD21 ASN 20 -1.942 25.740 2.556 147 HD22 ASN 20 HD22 ASN 20 -3.386 24.799 2.673 148 H ALA 21 H ALA 21 1.304 27.977 4.739 149 HA ALA 21 HA ALA 21 0.695 29.727 6.990 150 HB1 ALA 21 HB1 ALA 21 2.619 27.890 6.722 151 HB2 ALA 21 HB2 ALA 21 3.497 29.307 6.145 152 HB3 ALA 21 HB3 ALA 21 2.784 29.309 7.758 153 H LYS 22 H LYS 22 2.278 29.851 3.825 154 HA LYS 22 HA LYS 22 3.244 32.443 3.869 155 HB2 LYS 22 HB2 LYS 22 2.297 30.618 1.705 156 HB3 LYS 22 HB3 LYS 22 2.611 32.301 1.301 157 HG2 LYS 22 HG2 LYS 22 4.600 30.449 2.596 158 HG3 LYS 22 HG3 LYS 22 4.531 30.815 0.871 159 HD2 LYS 22 HD2 LYS 22 4.835 33.223 1.441 160 HD3 LYS 22 HD3 LYS 22 5.073 32.747 3.124 161 HE2 LYS 22 HE2 LYS 22 6.726 31.585 0.904 162 HE3 LYS 22 HE3 LYS 22 7.153 33.114 1.671 163 HZ1 LYS 22 HZ1 LYS 22 7.562 32.084 3.686 164 HZ2 LYS 22 HZ2 LYS 22 8.168 30.958 2.578 165 HZ3 LYS 22 HZ3 LYS 22 6.659 30.706 3.300 166 H VAL 23 H VAL 23 -0.018 31.333 3.714 167 HA VAL 23 HA VAL 23 -1.362 33.384 2.465 168 HB VAL 23 HB VAL 23 -3.296 32.846 3.833 169 HG11 VAL 23 HG11 VAL 23 -2.065 30.169 3.547 170 HG12 VAL 23 HG12 VAL 23 -3.611 30.778 2.952 171 HG13 VAL 23 HG13 VAL 23 -2.117 31.186 2.107 172 HG21 VAL 23 HG21 VAL 23 -2.957 31.061 5.640 173 HG22 VAL 23 HG22 VAL 23 -1.258 31.533 5.604 174 HG23 VAL 23 HG23 VAL 23 -2.494 32.717 6.028 175 H CYS 24 H CYS 24 -1.864 35.450 2.912 176 HA CYS 24 HA CYS 24 -0.551 36.726 5.140 177 HB2 CYS 24 HB2 CYS 24 -2.459 38.129 3.299 178 HB3 CYS 24 HB3 CYS 24 -1.010 38.753 4.080 179 H VAL 25 H VAL 25 -3.893 36.195 4.080 180 HA VAL 25 HA VAL 25 -4.827 37.133 6.707 181 HB VAL 25 HB VAL 25 -5.732 38.029 4.396 182 HG11 VAL 25 HG11 VAL 25 -7.776 35.901 4.800 183 HG12 VAL 25 HG12 VAL 25 -7.385 36.831 3.352 184 HG13 VAL 25 HG13 VAL 25 -6.324 35.522 3.875 185 HG21 VAL 25 HG21 VAL 25 -6.620 38.062 7.004 186 HG22 VAL 25 HG22 VAL 25 -7.254 39.040 5.681 187 HG23 VAL 25 HG23 VAL 25 -8.033 37.515 6.101 188 H TYR 26 H TYR 26 -7.059 35.967 7.228 189 HA TYR 26 HA TYR 26 -6.535 33.462 8.173 190 HB2 TYR 26 HB2 TYR 26 -9.277 34.270 7.207 191 HB3 TYR 26 HB3 TYR 26 -8.877 33.186 8.534 192 HD1 TYR 26 HD1 TYR 26 -8.014 34.095 10.661 193 HD2 TYR 26 HD2 TYR 26 -9.297 36.648 7.507 194 HE1 TYR 26 HE1 TYR 26 -8.127 35.979 12.239 195 HE2 TYR 26 HE2 TYR 26 -9.412 38.538 9.076 196 HH TYR 26 HH TYR 26 -9.200 39.197 11.184 197 H ALA 27 H ALA 27 -8.406 34.125 5.206 198 HA ALA 27 HA ALA 27 -8.497 31.429 4.367 199 HB1 ALA 27 HB1 ALA 27 -10.141 32.790 3.442 200 HB2 ALA 27 HB2 ALA 27 -8.986 34.045 2.989 201 HB3 ALA 27 HB3 ALA 27 -9.030 32.524 2.098 202 H VAL 28 H VAL 28 -7.151 33.727 2.115 203 HA VAL 28 HA VAL 28 -4.489 32.589 2.261 204 HB VAL 28 HB VAL 28 -5.616 30.955 0.847 205 HG11 VAL 28 HG11 VAL 28 -7.272 31.568 -0.497 206 HG12 VAL 28 HG12 VAL 28 -6.913 33.271 -0.204 207 HG13 VAL 28 HG13 VAL 28 -6.109 32.412 -1.518 208 HG21 VAL 28 HG21 VAL 28 -3.271 32.256 0.280 209 HG22 VAL 28 HG22 VAL 28 -3.828 30.769 -0.488 210 HG23 VAL 28 HG23 VAL 28 -4.130 32.327 -1.259 211 H CYS 29 H CYS 29 -4.691 35.039 2.872 212 HA CYS 29 HA CYS 29 -3.884 37.117 2.390 213 HB2 CYS 29 HB2 CYS 29 -2.470 35.637 0.706 214 HB3 CYS 29 HB3 CYS 29 -3.464 36.459 -0.492 215 H VAL 30 H VAL 30 -6.604 35.788 1.254 216 HA VAL 30 HA VAL 30 -7.699 38.366 0.486 217 HB VAL 30 HB VAL 30 -8.076 35.997 -1.345 218 HG11 VAL 30 HG11 VAL 30 -9.950 37.416 -1.491 219 HG12 VAL 30 HG12 VAL 30 -8.953 38.871 -1.433 220 HG13 VAL 30 HG13 VAL 30 -8.930 37.842 -2.865 221 HG21 VAL 30 HG21 VAL 30 -6.669 37.269 -2.948 222 HG22 VAL 30 HG22 VAL 30 -6.267 38.392 -1.649 223 HG23 VAL 30 HG23 VAL 30 -5.782 36.701 -1.534 224 H SER 31 H SER 31 -9.812 38.595 1.041 225 HA SER 31 HA SER 31 -11.171 36.207 2.111 226 HB2 SER 31 HB2 SER 31 -12.364 37.954 3.608 227 HB3 SER 31 HB3 SER 31 -10.710 37.497 4.015 228 HG SER 31 HG SER 31 -11.304 39.729 2.383 229 H HIS 32 H HIS 32 -13.014 35.696 1.144 230 HA HIS 32 HA HIS 32 -14.072 37.060 -1.036 231 HB2 HIS 32 HB2 HIS 32 -15.256 34.996 0.812 232 HB3 HIS 32 HB3 HIS 32 -16.155 35.640 -0.559 233 HD1 HIS 32 HD1 HIS 32 -16.155 33.236 -1.598 234 HD2 HIS 32 HD2 HIS 32 -12.396 34.952 -1.168 235 HE1 HIS 32 HE1 HIS 32 -14.612 31.834 -3.003 236 H LYS 33 H LYS 33 -14.743 37.380 2.378 237 HA LYS 33 HA LYS 33 -17.168 38.762 2.271 238 HB2 LYS 33 HB2 LYS 33 -14.920 39.113 4.264 239 HB3 LYS 33 HB3 LYS 33 -16.592 39.606 4.500 240 HG2 LYS 33 HG2 LYS 33 -15.628 36.776 4.140 241 HG3 LYS 33 HG3 LYS 33 -16.098 37.527 5.667 242 HD2 LYS 33 HD2 LYS 33 -18.354 37.967 4.578 243 HD3 LYS 33 HD3 LYS 33 -17.833 36.868 3.298 244 HE2 LYS 33 HE2 LYS 33 -19.017 35.489 4.753 245 HE3 LYS 33 HE3 LYS 33 -17.335 35.218 5.207 246 HZ1 LYS 33 HZ1 LYS 33 -19.026 35.608 7.056 247 HZ2 LYS 33 HZ2 LYS 33 -18.986 37.235 6.596 248 HZ3 LYS 33 HZ3 LYS 33 -17.574 36.474 7.132 Start of MODEL 18 1 H1 GLY 1 H GLY 1 6.489 -0.020 -3.245 2 HA2 GLY 1 HA2 GLY 1 6.361 2.019 -4.688 3 HA3 GLY 1 HA3 GLY 1 5.059 2.538 -3.628 4 H PHE 2 H PHE 2 5.536 3.638 -1.807 5 HA PHE 2 HA PHE 2 6.742 4.746 -0.227 6 HB2 PHE 2 HB2 PHE 2 7.673 2.825 0.684 7 HB3 PHE 2 HB3 PHE 2 8.529 2.413 -0.799 8 HD1 PHE 2 HD1 PHE 2 8.475 5.006 1.874 9 HD2 PHE 2 HD2 PHE 2 10.795 2.798 -0.929 10 HE1 PHE 2 HE1 PHE 2 10.527 6.012 2.785 11 HE2 PHE 2 HE2 PHE 2 12.851 3.799 -0.021 12 HZ PHE 2 HZ PHE 2 12.719 5.408 1.839 13 H TRP 3 H TRP 3 9.305 3.726 -2.482 14 HA TRP 3 HA TRP 3 10.712 6.115 -2.472 15 HB2 TRP 3 HB2 TRP 3 10.553 3.782 -4.310 16 HB3 TRP 3 HB3 TRP 3 11.319 5.242 -4.929 17 HD1 TRP 3 HD1 TRP 3 12.470 2.194 -3.703 18 HE1 TRP 3 HE1 TRP 3 14.640 2.372 -2.331 19 HE3 TRP 3 HE3 TRP 3 12.379 7.204 -2.686 20 HZ2 TRP 3 HZ2 TRP 3 16.118 4.372 -0.994 21 HZ3 TRP 3 HZ3 TRP 3 14.208 8.170 -1.354 22 HH2 TRP 3 HH2 TRP 3 16.038 6.782 -0.526 23 H SER 4 H SER 4 7.758 5.318 -4.054 24 HA SER 4 HA SER 4 7.923 7.610 -5.853 25 HB2 SER 4 HB2 SER 4 6.890 5.208 -6.333 26 HB3 SER 4 HB3 SER 4 5.452 5.949 -5.632 27 HG SER 4 HG SER 4 5.552 6.238 -7.901 28 H SER 5 H SER 5 6.244 6.532 -2.971 29 HA SER 5 HA SER 5 4.443 8.780 -2.925 30 HB2 SER 5 HB2 SER 5 4.117 6.388 -1.907 31 HB3 SER 5 HB3 SER 5 4.990 7.058 -0.530 32 HG SER 5 HG SER 5 2.556 7.237 -0.654 33 H VAL 6 H VAL 6 7.665 8.271 -2.070 34 HA VAL 6 HA VAL 6 7.784 10.082 0.158 35 HB VAL 6 HB VAL 6 9.414 8.164 -0.356 36 HG11 VAL 6 HG11 VAL 6 11.226 8.555 -1.807 37 HG12 VAL 6 HG12 VAL 6 9.790 9.020 -2.721 38 HG13 VAL 6 HG13 VAL 6 10.814 10.259 -1.994 39 HG21 VAL 6 HG21 VAL 6 11.337 10.076 0.259 40 HG22 VAL 6 HG22 VAL 6 9.822 10.763 0.845 41 HG23 VAL 6 HG23 VAL 6 10.342 9.173 1.401 42 H TRP 7 H TRP 7 8.442 10.256 -3.305 43 HA TRP 7 HA TRP 7 9.355 12.994 -3.138 44 HB2 TRP 7 HB2 TRP 7 8.719 11.331 -5.584 45 HB3 TRP 7 HB3 TRP 7 9.601 12.855 -5.558 46 HD1 TRP 7 HD1 TRP 7 10.398 9.478 -6.108 47 HE1 TRP 7 HE1 TRP 7 12.754 8.837 -5.294 48 HE3 TRP 7 HE3 TRP 7 11.296 13.447 -3.014 49 HZ2 TRP 7 HZ2 TRP 7 14.731 9.876 -3.568 50 HZ3 TRP 7 HZ3 TRP 7 13.444 13.548 -1.818 51 HH2 TRP 7 HH2 TRP 7 15.124 11.798 -2.090 52 H ASP 8 H ASP 8 6.467 11.261 -4.192 53 HA ASP 8 HA ASP 8 5.139 13.632 -5.123 54 HB2 ASP 8 HB2 ASP 8 4.625 11.446 -6.103 55 HB3 ASP 8 HB3 ASP 8 4.052 10.869 -4.540 56 H GLY 9 H GLY 9 4.944 11.576 -2.240 57 HA2 GLY 9 HA2 GLY 9 2.791 12.947 -1.022 58 HA3 GLY 9 HA3 GLY 9 3.947 11.912 -0.198 59 H ALA 10 H ALA 10 6.303 13.199 -0.486 60 HA ALA 10 HA ALA 10 6.155 15.228 1.458 61 HB1 ALA 10 HB1 ALA 10 8.134 13.757 0.965 62 HB2 ALA 10 HB2 ALA 10 8.457 14.786 -0.431 63 HB3 ALA 10 HB3 ALA 10 8.502 15.466 1.195 64 H LYS 11 H LYS 11 6.665 15.385 -2.054 65 HA LYS 11 HA LYS 11 7.097 18.089 -2.361 66 HB2 LYS 11 HB2 LYS 11 7.280 16.537 -4.218 67 HB3 LYS 11 HB3 LYS 11 5.552 16.215 -4.160 68 HG2 LYS 11 HG2 LYS 11 5.913 17.683 -5.973 69 HG3 LYS 11 HG3 LYS 11 5.185 18.644 -4.683 70 HD2 LYS 11 HD2 LYS 11 6.881 20.052 -5.250 71 HD3 LYS 11 HD3 LYS 11 7.746 19.050 -4.081 72 HE2 LYS 11 HE2 LYS 11 7.694 18.317 -6.985 73 HE3 LYS 11 HE3 LYS 11 8.828 19.527 -6.386 74 HZ1 LYS 11 HZ1 LYS 11 10.127 17.776 -5.971 75 HZ2 LYS 11 HZ2 LYS 11 8.855 16.665 -6.061 76 HZ3 LYS 11 HZ3 LYS 11 9.138 17.511 -4.624 77 H ASN 12 H ASN 12 4.000 16.381 -2.130 78 HA ASN 12 HA ASN 12 2.470 18.808 -2.374 79 HB2 ASN 12 HB2 ASN 12 1.832 16.301 -2.962 80 HB3 ASN 12 HB3 ASN 12 1.275 16.294 -1.291 81 HD21 ASN 12 HD21 ASN 12 0.664 17.328 -4.486 82 HD22 ASN 12 HD22 ASN 12 -0.831 18.139 -4.182 83 H VAL 13 H VAL 13 3.665 16.776 0.213 84 HA VAL 13 HA VAL 13 2.082 17.805 2.307 85 HB VAL 13 HB VAL 13 4.729 16.398 2.223 86 HG11 VAL 13 HG11 VAL 13 4.435 16.332 4.797 87 HG12 VAL 13 HG12 VAL 13 5.172 17.752 4.052 88 HG13 VAL 13 HG13 VAL 13 3.483 17.796 4.557 89 HG21 VAL 13 HG21 VAL 13 2.393 15.496 3.815 90 HG22 VAL 13 HG22 VAL 13 2.270 15.408 2.058 91 HG23 VAL 13 HG23 VAL 13 3.567 14.556 2.895 92 H GLY 14 H GLY 14 5.431 18.600 1.356 93 HA2 GLY 14 HA2 GLY 14 5.750 20.712 3.193 94 HA3 GLY 14 HA3 GLY 14 6.706 20.470 1.739 95 H THR 15 H THR 15 5.130 20.882 -0.316 96 HA THR 15 HA THR 15 4.893 23.596 -0.602 97 HB THR 15 HB THR 15 4.755 21.894 -2.448 98 HG1 THR 15 HG1 THR 15 2.702 23.875 -2.444 99 HG21 THR 15 HG21 THR 15 3.009 20.478 -1.449 100 HG22 THR 15 HG22 THR 15 2.560 21.029 -3.063 101 HG23 THR 15 HG23 THR 15 1.846 21.790 -1.640 102 H ALA 16 H ALA 16 2.554 21.356 0.739 103 HA ALA 16 HA ALA 16 0.332 23.109 0.756 104 HB1 ALA 16 HB1 ALA 16 -0.425 21.510 2.649 105 HB2 ALA 16 HB2 ALA 16 -0.245 20.881 1.011 106 HB3 ALA 16 HB3 ALA 16 1.012 20.586 2.212 107 H ILE 17 H ILE 17 2.750 22.295 3.230 108 HA ILE 17 HA ILE 17 1.771 23.748 5.357 109 HB ILE 17 HB ILE 17 4.674 23.424 4.586 110 HG12 ILE 17 HG12 ILE 17 3.387 21.299 4.801 111 HG13 ILE 17 HG13 ILE 17 4.663 21.464 6.002 112 HG21 ILE 17 HG21 ILE 17 3.341 24.667 6.879 113 HG22 ILE 17 HG22 ILE 17 4.591 23.499 7.305 114 HG23 ILE 17 HG23 ILE 17 4.983 24.872 6.271 115 HD11 ILE 17 HD11 ILE 17 3.080 22.012 7.701 116 HD12 ILE 17 HD12 ILE 17 1.771 22.095 6.522 117 HD13 ILE 17 HD13 ILE 17 2.535 20.548 6.883 118 H ILE 18 H ILE 18 3.743 24.882 2.647 119 HA ILE 18 HA ILE 18 4.025 27.542 3.629 120 HB ILE 18 HB ILE 18 4.379 26.397 0.860 121 HG12 ILE 18 HG12 ILE 18 6.828 27.027 1.525 122 HG13 ILE 18 HG13 ILE 18 6.199 26.999 3.169 123 HG21 ILE 18 HG21 ILE 18 5.662 28.579 0.496 124 HG22 ILE 18 HG22 ILE 18 3.901 28.650 0.454 125 HG23 ILE 18 HG23 ILE 18 4.771 29.187 1.891 126 HD11 ILE 18 HD11 ILE 18 5.787 24.680 1.327 127 HD12 ILE 18 HD12 ILE 18 7.289 24.879 2.230 128 HD13 ILE 18 HD13 ILE 18 5.757 24.724 3.089 129 H LYS 19 H LYS 19 1.678 25.894 1.626 130 HA LYS 19 HA LYS 19 0.383 28.260 0.681 131 HB2 LYS 19 HB2 LYS 19 -0.384 25.348 0.734 132 HB3 LYS 19 HB3 LYS 19 -1.488 26.585 0.146 133 HG2 LYS 19 HG2 LYS 19 1.226 25.911 -0.969 134 HG3 LYS 19 HG3 LYS 19 -0.342 25.581 -1.710 135 HD2 LYS 19 HD2 LYS 19 -0.744 28.068 -1.702 136 HD3 LYS 19 HD3 LYS 19 0.944 28.263 -1.226 137 HE2 LYS 19 HE2 LYS 19 1.712 27.286 -3.252 138 HE3 LYS 19 HE3 LYS 19 0.091 26.744 -3.681 139 HZ1 LYS 19 HZ1 LYS 19 -0.036 28.614 -4.852 140 HZ2 LYS 19 HZ2 LYS 19 1.336 29.282 -4.124 141 HZ3 LYS 19 HZ3 LYS 19 -0.176 29.436 -3.380 142 H ASN 20 H ASN 20 0.108 26.248 3.508 143 HA ASN 20 HA ASN 20 -2.416 27.431 4.316 144 HB2 ASN 20 HB2 ASN 20 -0.666 25.239 5.315 145 HB3 ASN 20 HB3 ASN 20 -1.706 26.044 6.487 146 HD21 ASN 20 HD21 ASN 20 -2.235 25.282 3.074 147 HD22 ASN 20 HD22 ASN 20 -3.637 24.306 3.329 148 H ALA 21 H ALA 21 0.982 27.830 4.910 149 HA ALA 21 HA ALA 21 0.571 29.499 7.247 150 HB1 ALA 21 HB1 ALA 21 3.217 29.390 5.923 151 HB2 ALA 21 HB2 ALA 21 2.799 29.307 7.634 152 HB3 ALA 21 HB3 ALA 21 2.596 27.888 6.608 153 H LYS 22 H LYS 22 1.347 29.858 3.838 154 HA LYS 22 HA LYS 22 2.160 32.511 3.783 155 HB2 LYS 22 HB2 LYS 22 0.890 30.662 1.831 156 HB3 LYS 22 HB3 LYS 22 0.874 32.376 1.440 157 HG2 LYS 22 HG2 LYS 22 3.269 32.481 1.538 158 HG3 LYS 22 HG3 LYS 22 3.358 30.818 2.122 159 HD2 LYS 22 HD2 LYS 22 3.855 30.670 -0.165 160 HD3 LYS 22 HD3 LYS 22 2.164 30.179 -0.045 161 HE2 LYS 22 HE2 LYS 22 1.406 32.277 -0.846 162 HE3 LYS 22 HE3 LYS 22 3.004 33.000 -0.667 163 HZ1 LYS 22 HZ1 LYS 22 3.440 30.907 -2.338 164 HZ2 LYS 22 HZ2 LYS 22 3.253 32.520 -2.813 165 HZ3 LYS 22 HZ3 LYS 22 1.926 31.471 -2.841 166 H VAL 23 H VAL 23 -0.946 31.186 4.418 167 HA VAL 23 HA VAL 23 -2.701 33.147 3.610 168 HB VAL 23 HB VAL 23 -4.174 32.464 5.422 169 HG11 VAL 23 HG11 VAL 23 -2.714 30.007 4.490 170 HG12 VAL 23 HG12 VAL 23 -4.437 30.201 4.820 171 HG13 VAL 23 HG13 VAL 23 -3.714 30.981 3.413 172 HG21 VAL 23 HG21 VAL 23 -3.233 30.657 7.002 173 HG22 VAL 23 HG22 VAL 23 -1.654 31.307 6.562 174 HG23 VAL 23 HG23 VAL 23 -2.851 32.346 7.336 175 H CYS 24 H CYS 24 -3.143 35.186 4.179 176 HA CYS 24 HA CYS 24 -1.418 36.505 6.079 177 HB2 CYS 24 HB2 CYS 24 -3.750 37.822 4.721 178 HB3 CYS 24 HB3 CYS 24 -2.205 38.521 5.194 179 H VAL 25 H VAL 25 -4.853 35.713 5.816 180 HA VAL 25 HA VAL 25 -5.236 36.646 8.582 181 HB VAL 25 HB VAL 25 -7.648 35.923 7.084 182 HG11 VAL 25 HG11 VAL 25 -7.937 38.493 7.904 183 HG12 VAL 25 HG12 VAL 25 -8.273 37.081 8.908 184 HG13 VAL 25 HG13 VAL 25 -6.720 37.909 9.038 185 HG21 VAL 25 HG21 VAL 25 -7.626 37.979 5.705 186 HG22 VAL 25 HG22 VAL 25 -5.935 38.220 6.142 187 HG23 VAL 25 HG23 VAL 25 -6.410 36.802 5.209 188 H TYR 26 H TYR 26 -7.470 35.301 9.308 189 HA TYR 26 HA TYR 26 -6.517 32.854 10.214 190 HB2 TYR 26 HB2 TYR 26 -9.404 33.677 9.841 191 HB3 TYR 26 HB3 TYR 26 -8.832 32.372 10.873 192 HD1 TYR 26 HD1 TYR 26 -7.245 33.000 12.794 193 HD2 TYR 26 HD2 TYR 26 -9.596 35.848 10.681 194 HE1 TYR 26 HE1 TYR 26 -6.999 34.580 14.662 195 HE2 TYR 26 HE2 TYR 26 -9.356 37.436 12.543 196 HH TYR 26 HH TYR 26 -7.097 37.177 14.902 197 H ALA 27 H ALA 27 -8.666 33.544 7.474 198 HA ALA 27 HA ALA 27 -8.793 30.772 6.694 199 HB1 ALA 27 HB1 ALA 27 -9.816 33.308 5.442 200 HB2 ALA 27 HB2 ALA 27 -9.990 31.726 4.682 201 HB3 ALA 27 HB3 ALA 27 -10.737 32.038 6.248 202 H VAL 28 H VAL 28 -8.298 33.162 4.228 203 HA VAL 28 HA VAL 28 -5.532 32.405 3.779 204 HB VAL 28 HB VAL 28 -7.674 31.779 1.743 205 HG11 VAL 28 HG11 VAL 28 -5.940 32.522 0.416 206 HG12 VAL 28 HG12 VAL 28 -4.700 31.971 1.544 207 HG13 VAL 28 HG13 VAL 28 -5.572 30.803 0.551 208 HG21 VAL 28 HG21 VAL 28 -6.578 29.470 1.959 209 HG22 VAL 28 HG22 VAL 28 -5.895 30.083 3.465 210 HG23 VAL 28 HG23 VAL 28 -7.644 30.000 3.261 211 H CYS 29 H CYS 29 -5.248 34.660 4.187 212 HA CYS 29 HA CYS 29 -4.974 36.842 3.604 213 HB2 CYS 29 HB2 CYS 29 -4.909 35.371 1.019 214 HB3 CYS 29 HB3 CYS 29 -5.048 37.125 0.945 215 H VAL 30 H VAL 30 -7.741 35.649 3.894 216 HA VAL 30 HA VAL 30 -9.167 38.018 2.993 217 HB VAL 30 HB VAL 30 -10.962 36.812 1.918 218 HG11 VAL 30 HG11 VAL 30 -9.797 35.991 -0.076 219 HG12 VAL 30 HG12 VAL 30 -9.097 37.501 0.511 220 HG13 VAL 30 HG13 VAL 30 -8.280 35.969 0.824 221 HG21 VAL 30 HG21 VAL 30 -9.719 34.537 3.195 222 HG22 VAL 30 HG22 VAL 30 -11.345 34.705 2.531 223 HG23 VAL 30 HG23 VAL 30 -10.008 34.237 1.481 224 H SER 31 H SER 31 -11.717 37.354 3.584 225 HA SER 31 HA SER 31 -11.679 36.271 6.313 226 HB2 SER 31 HB2 SER 31 -13.303 38.170 6.911 227 HB3 SER 31 HB3 SER 31 -11.597 38.590 6.758 228 HG SER 31 HG SER 31 -12.243 39.990 5.343 229 H HIS 32 H HIS 32 -13.214 34.802 6.601 230 HA HIS 32 HA HIS 32 -15.020 34.038 4.614 231 HB2 HIS 32 HB2 HIS 32 -14.701 33.407 7.515 232 HB3 HIS 32 HB3 HIS 32 -16.186 32.910 6.709 233 HD1 HIS 32 HD1 HIS 32 -14.942 30.526 7.502 234 HD2 HIS 32 HD2 HIS 32 -13.469 32.528 4.173 235 HE1 HIS 32 HE1 HIS 32 -13.626 28.812 6.214 236 H LYS 33 H LYS 33 -15.337 36.306 7.254 237 HA LYS 33 HA LYS 33 -18.104 36.561 7.387 238 HB2 LYS 33 HB2 LYS 33 -17.742 38.652 8.459 239 HB3 LYS 33 HB3 LYS 33 -16.392 37.620 8.913 240 HG2 LYS 33 HG2 LYS 33 -15.300 38.788 6.788 241 HG3 LYS 33 HG3 LYS 33 -16.442 40.057 7.236 242 HD2 LYS 33 HD2 LYS 33 -14.490 38.793 9.155 243 HD3 LYS 33 HD3 LYS 33 -14.172 40.284 8.266 244 HE2 LYS 33 HE2 LYS 33 -15.652 41.499 9.504 245 HE3 LYS 33 HE3 LYS 33 -16.704 40.116 9.803 246 HZ1 LYS 33 HZ1 LYS 33 -14.032 40.395 11.050 247 HZ2 LYS 33 HZ2 LYS 33 -15.269 39.323 11.476 248 HZ3 LYS 33 HZ3 LYS 33 -15.445 40.978 11.775 Start of MODEL 19 1 H1 GLY 1 H GLY 1 3.719 2.421 -5.444 2 HA2 GLY 1 HA2 GLY 1 5.418 1.553 -3.716 3 HA3 GLY 1 HA3 GLY 1 6.063 2.542 -5.018 4 H PHE 2 H PHE 2 6.978 2.137 -2.225 5 HA PHE 2 HA PHE 2 6.455 4.471 -0.715 6 HB2 PHE 2 HB2 PHE 2 7.302 2.725 0.566 7 HB3 PHE 2 HB3 PHE 2 8.538 2.320 -0.621 8 HD1 PHE 2 HD1 PHE 2 10.561 2.447 0.484 9 HD2 PHE 2 HD2 PHE 2 7.717 5.572 0.990 10 HE1 PHE 2 HE1 PHE 2 12.216 3.741 1.766 11 HE2 PHE 2 HE2 PHE 2 9.366 6.871 2.272 12 HZ PHE 2 HZ PHE 2 11.620 5.956 2.661 13 H TRP 3 H TRP 3 9.307 3.545 -2.645 14 HA TRP 3 HA TRP 3 10.747 5.895 -2.379 15 HB2 TRP 3 HB2 TRP 3 10.696 3.656 -4.303 16 HB3 TRP 3 HB3 TRP 3 11.403 5.150 -4.911 17 HD1 TRP 3 HD1 TRP 3 12.696 2.152 -3.739 18 HE1 TRP 3 HE1 TRP 3 14.847 2.405 -2.349 19 HE3 TRP 3 HE3 TRP 3 12.348 7.125 -2.603 20 HZ2 TRP 3 HZ2 TRP 3 16.215 4.443 -0.954 21 HZ3 TRP 3 HZ3 TRP 3 14.119 8.149 -1.236 22 HH2 TRP 3 HH2 TRP 3 16.012 6.834 -0.429 23 H SER 4 H SER 4 7.853 5.314 -4.129 24 HA SER 4 HA SER 4 8.177 7.712 -5.767 25 HB2 SER 4 HB2 SER 4 7.115 5.380 -6.472 26 HB3 SER 4 HB3 SER 4 5.659 6.107 -5.793 27 HG SER 4 HG SER 4 5.595 6.823 -7.815 28 H SER 5 H SER 5 6.299 6.470 -3.075 29 HA SER 5 HA SER 5 4.493 8.681 -2.954 30 HB2 SER 5 HB2 SER 5 3.561 6.860 -1.901 31 HB3 SER 5 HB3 SER 5 5.104 6.316 -1.243 32 HG SER 5 HG SER 5 4.764 7.470 0.485 33 H VAL 6 H VAL 6 7.724 8.223 -2.020 34 HA VAL 6 HA VAL 6 7.761 10.049 0.192 35 HB VAL 6 HB VAL 6 9.442 8.186 -0.234 36 HG11 VAL 6 HG11 VAL 6 11.207 8.488 -1.736 37 HG12 VAL 6 HG12 VAL 6 9.779 8.979 -2.650 38 HG13 VAL 6 HG13 VAL 6 10.847 10.200 -1.957 39 HG21 VAL 6 HG21 VAL 6 11.341 10.150 0.272 40 HG22 VAL 6 HG22 VAL 6 9.820 10.852 0.825 41 HG23 VAL 6 HG23 VAL 6 10.359 9.299 1.465 42 H TRP 7 H TRP 7 8.466 10.240 -3.260 43 HA TRP 7 HA TRP 7 9.332 12.991 -3.084 44 HB2 TRP 7 HB2 TRP 7 8.715 11.340 -5.543 45 HB3 TRP 7 HB3 TRP 7 9.600 12.863 -5.497 46 HD1 TRP 7 HD1 TRP 7 10.378 9.471 -6.046 47 HE1 TRP 7 HE1 TRP 7 12.735 8.825 -5.236 48 HE3 TRP 7 HE3 TRP 7 11.303 13.455 -2.979 49 HZ2 TRP 7 HZ2 TRP 7 14.722 9.867 -3.524 50 HZ3 TRP 7 HZ3 TRP 7 13.455 13.555 -1.791 51 HH2 TRP 7 HH2 TRP 7 15.128 11.796 -2.059 52 H ASP 8 H ASP 8 6.457 11.223 -4.091 53 HA ASP 8 HA ASP 8 5.099 13.560 -5.064 54 HB2 ASP 8 HB2 ASP 8 4.742 11.040 -5.691 55 HB3 ASP 8 HB3 ASP 8 3.673 11.040 -4.291 56 H GLY 9 H GLY 9 4.894 11.546 -2.145 57 HA2 GLY 9 HA2 GLY 9 2.772 12.965 -0.935 58 HA3 GLY 9 HA3 GLY 9 3.923 11.933 -0.100 59 H ALA 10 H ALA 10 6.290 13.197 -0.434 60 HA ALA 10 HA ALA 10 6.183 15.250 1.485 61 HB1 ALA 10 HB1 ALA 10 8.557 15.577 1.009 62 HB2 ALA 10 HB2 ALA 10 8.162 13.863 1.148 63 HB3 ALA 10 HB3 ALA 10 8.406 14.586 -0.443 64 H LYS 11 H LYS 11 6.634 15.369 -2.037 65 HA LYS 11 HA LYS 11 7.069 18.069 -2.378 66 HB2 LYS 11 HB2 LYS 11 7.225 16.513 -4.227 67 HB3 LYS 11 HB3 LYS 11 5.503 16.168 -4.129 68 HG2 LYS 11 HG2 LYS 11 5.892 17.631 -5.979 69 HG3 LYS 11 HG3 LYS 11 5.045 18.531 -4.719 70 HD2 LYS 11 HD2 LYS 11 6.948 19.747 -4.139 71 HD3 LYS 11 HD3 LYS 11 8.037 18.585 -4.901 72 HE2 LYS 11 HE2 LYS 11 8.033 20.404 -6.365 73 HE3 LYS 11 HE3 LYS 11 6.910 19.261 -7.100 74 HZ1 LYS 11 HZ1 LYS 11 5.442 20.905 -7.110 75 HZ2 LYS 11 HZ2 LYS 11 6.429 21.903 -6.167 76 HZ3 LYS 11 HZ3 LYS 11 5.378 20.806 -5.423 77 H ASN 12 H ASN 12 3.976 16.370 -2.061 78 HA ASN 12 HA ASN 12 2.446 18.799 -2.311 79 HB2 ASN 12 HB2 ASN 12 1.794 16.288 -2.865 80 HB3 ASN 12 HB3 ASN 12 1.261 16.300 -1.187 81 HD21 ASN 12 HD21 ASN 12 -0.713 16.995 -0.792 82 HD22 ASN 12 HD22 ASN 12 -1.690 17.933 -1.866 83 H VAL 13 H VAL 13 3.693 16.799 0.272 84 HA VAL 13 HA VAL 13 2.142 17.841 2.384 85 HB VAL 13 HB VAL 13 4.794 16.445 2.272 86 HG11 VAL 13 HG11 VAL 13 5.195 17.882 4.079 87 HG12 VAL 13 HG12 VAL 13 3.530 17.769 4.652 88 HG13 VAL 13 HG13 VAL 13 4.617 16.390 4.820 89 HG21 VAL 13 HG21 VAL 13 2.232 15.528 2.242 90 HG22 VAL 13 HG22 VAL 13 3.626 14.597 2.789 91 HG23 VAL 13 HG23 VAL 13 2.616 15.444 3.961 92 H GLY 14 H GLY 14 5.339 18.752 1.125 93 HA2 GLY 14 HA2 GLY 14 5.762 20.836 3.019 94 HA3 GLY 14 HA3 GLY 14 6.653 20.599 1.523 95 H THR 15 H THR 15 4.961 20.973 -0.454 96 HA THR 15 HA THR 15 4.671 23.695 -0.719 97 HB THR 15 HB THR 15 4.528 22.009 -2.575 98 HG1 THR 15 HG1 THR 15 3.300 23.386 -3.802 99 HG21 THR 15 HG21 THR 15 2.405 21.012 -3.120 100 HG22 THR 15 HG22 THR 15 1.625 21.828 -1.765 101 HG23 THR 15 HG23 THR 15 2.822 20.568 -1.466 102 H ALA 16 H ALA 16 2.446 21.391 0.694 103 HA ALA 16 HA ALA 16 0.190 23.118 0.793 104 HB1 ALA 16 HB1 ALA 16 0.850 20.662 2.412 105 HB2 ALA 16 HB2 ALA 16 -0.715 21.475 2.399 106 HB3 ALA 16 HB3 ALA 16 -0.099 20.725 0.926 107 H ILE 17 H ILE 17 2.627 22.187 3.212 108 HA ILE 17 HA ILE 17 1.682 23.586 5.391 109 HB ILE 17 HB ILE 17 4.573 23.219 4.595 110 HG12 ILE 17 HG12 ILE 17 3.232 21.553 6.666 111 HG13 ILE 17 HG13 ILE 17 2.835 21.224 4.982 112 HG21 ILE 17 HG21 ILE 17 4.983 23.423 7.049 113 HG22 ILE 17 HG22 ILE 17 4.439 24.911 6.277 114 HG23 ILE 17 HG23 ILE 17 3.310 23.948 7.230 115 HD11 ILE 17 HD11 ILE 17 5.242 20.613 6.493 116 HD12 ILE 17 HD12 ILE 17 4.614 19.892 5.011 117 HD13 ILE 17 HD13 ILE 17 5.568 21.373 4.936 118 H ILE 18 H ILE 18 3.578 24.774 2.664 119 HA ILE 18 HA ILE 18 3.916 27.403 3.759 120 HB ILE 18 HB ILE 18 4.168 26.722 0.843 121 HG12 ILE 18 HG12 ILE 18 5.387 24.977 1.973 122 HG13 ILE 18 HG13 ILE 18 6.551 26.137 1.342 123 HG21 ILE 18 HG21 ILE 18 4.580 28.951 0.978 124 HG22 ILE 18 HG22 ILE 18 5.106 28.865 2.658 125 HG23 ILE 18 HG23 ILE 18 6.197 28.365 1.366 126 HD11 ILE 18 HD11 ILE 18 5.921 26.978 3.945 127 HD12 ILE 18 HD12 ILE 18 6.172 25.233 4.019 128 HD13 ILE 18 HD13 ILE 18 7.431 26.279 3.360 129 H LYS 19 H LYS 19 1.640 25.841 1.596 130 HA LYS 19 HA LYS 19 0.399 28.086 0.502 131 HB2 LYS 19 HB2 LYS 19 -0.433 25.268 1.018 132 HB3 LYS 19 HB3 LYS 19 -1.676 26.431 0.578 133 HG2 LYS 19 HG2 LYS 19 0.777 25.745 -1.027 134 HG3 LYS 19 HG3 LYS 19 -0.884 25.268 -1.383 135 HD2 LYS 19 HD2 LYS 19 -0.836 28.087 -1.056 136 HD3 LYS 19 HD3 LYS 19 0.488 27.645 -2.137 137 HE2 LYS 19 HE2 LYS 19 -1.535 28.076 -3.407 138 HE3 LYS 19 HE3 LYS 19 -1.087 26.375 -3.525 139 HZ1 LYS 19 HZ1 LYS 19 -3.541 27.210 -2.944 140 HZ2 LYS 19 HZ2 LYS 19 -2.919 27.058 -1.378 141 HZ3 LYS 19 HZ3 LYS 19 -2.920 25.725 -2.421 142 H ASN 20 H ASN 20 0.046 26.582 3.641 143 HA ASN 20 HA ASN 20 -2.137 28.417 4.320 144 HB2 ASN 20 HB2 ASN 20 -1.165 25.821 5.423 145 HB3 ASN 20 HB3 ASN 20 -1.951 26.944 6.529 146 HD21 ASN 20 HD21 ASN 20 -2.472 25.898 3.175 147 HD22 ASN 20 HD22 ASN 20 -4.150 25.535 3.372 148 H ALA 21 H ALA 21 1.172 27.598 5.141 149 HA ALA 21 HA ALA 21 1.229 29.680 7.201 150 HB1 ALA 21 HB1 ALA 21 3.385 28.764 7.838 151 HB2 ALA 21 HB2 ALA 21 2.171 27.486 7.770 152 HB3 ALA 21 HB3 ALA 21 3.343 27.659 6.464 153 H LYS 22 H LYS 22 1.052 30.273 4.322 154 HA LYS 22 HA LYS 22 3.409 31.025 3.119 155 HB2 LYS 22 HB2 LYS 22 0.872 31.256 2.394 156 HB3 LYS 22 HB3 LYS 22 1.093 32.903 2.968 157 HG2 LYS 22 HG2 LYS 22 1.487 32.840 0.608 158 HG3 LYS 22 HG3 LYS 22 3.020 33.134 1.433 159 HD2 LYS 22 HD2 LYS 22 3.901 31.164 0.770 160 HD3 LYS 22 HD3 LYS 22 2.369 30.304 0.941 161 HE2 LYS 22 HE2 LYS 22 2.719 30.261 -1.348 162 HE3 LYS 22 HE3 LYS 22 1.658 31.655 -1.150 163 HZ1 LYS 22 HZ1 LYS 22 3.228 33.033 -1.883 164 HZ2 LYS 22 HZ2 LYS 22 4.030 31.658 -2.456 165 HZ3 LYS 22 HZ3 LYS 22 4.445 32.315 -0.953 166 H VAL 23 H VAL 23 1.788 32.490 5.823 167 HA VAL 23 HA VAL 23 2.926 35.038 5.798 168 HB VAL 23 HB VAL 23 2.612 34.971 8.303 169 HG11 VAL 23 HG11 VAL 23 0.003 34.103 7.539 170 HG12 VAL 23 HG12 VAL 23 0.591 35.745 7.806 171 HG13 VAL 23 HG13 VAL 23 0.720 35.010 6.208 172 HG21 VAL 23 HG21 VAL 23 2.929 32.383 8.245 173 HG22 VAL 23 HG22 VAL 23 1.806 33.105 9.397 174 HG23 VAL 23 HG23 VAL 23 1.196 32.369 7.915 175 H CYS 24 H CYS 24 4.379 35.601 7.913 176 HA CYS 24 HA CYS 24 6.950 34.452 7.290 177 HB2 CYS 24 HB2 CYS 24 6.499 36.368 9.551 178 HB3 CYS 24 HB3 CYS 24 7.882 36.228 8.471 179 H VAL 25 H VAL 25 5.001 34.778 10.259 180 HA VAL 25 HA VAL 25 6.577 32.614 11.465 181 HB VAL 25 HB VAL 25 4.583 33.955 13.154 182 HG11 VAL 25 HG11 VAL 25 7.040 34.205 14.331 183 HG12 VAL 25 HG12 VAL 25 5.946 32.835 14.534 184 HG13 VAL 25 HG13 VAL 25 7.243 32.760 13.341 185 HG21 VAL 25 HG21 VAL 25 6.147 35.953 13.427 186 HG22 VAL 25 HG22 VAL 25 6.813 35.497 11.860 187 HG23 VAL 25 HG23 VAL 25 5.110 35.932 12.001 188 H TYR 26 H TYR 26 4.905 31.606 13.318 189 HA TYR 26 HA TYR 26 3.362 29.762 11.892 190 HB2 TYR 26 HB2 TYR 26 2.962 30.505 14.793 191 HB3 TYR 26 HB3 TYR 26 2.590 28.967 14.022 192 HD1 TYR 26 HD1 TYR 26 4.501 27.540 13.187 193 HD2 TYR 26 HD2 TYR 26 5.098 30.924 15.695 194 HE1 TYR 26 HE1 TYR 26 6.733 26.696 13.784 195 HE2 TYR 26 HE2 TYR 26 7.332 30.091 16.298 196 HH TYR 26 HH TYR 26 8.604 27.076 14.914 197 H ALA 27 H ALA 27 2.311 32.548 13.846 198 HA ALA 27 HA ALA 27 -0.440 32.255 13.177 199 HB1 ALA 27 HB1 ALA 27 -0.610 34.591 14.126 200 HB2 ALA 27 HB2 ALA 27 0.052 33.363 15.205 201 HB3 ALA 27 HB3 ALA 27 1.129 34.507 14.405 202 H VAL 28 H VAL 28 0.957 35.394 12.681 203 HA VAL 28 HA VAL 28 0.822 35.222 9.791 204 HB VAL 28 HB VAL 28 -0.685 37.403 9.930 205 HG11 VAL 28 HG11 VAL 28 -2.132 36.135 8.800 206 HG12 VAL 28 HG12 VAL 28 -1.045 34.785 9.132 207 HG13 VAL 28 HG13 VAL 28 -2.423 35.089 10.190 208 HG21 VAL 28 HG21 VAL 28 -2.241 37.463 11.662 209 HG22 VAL 28 HG22 VAL 28 -1.900 35.804 12.156 210 HG23 VAL 28 HG23 VAL 28 -0.730 37.081 12.488 211 H CYS 29 H CYS 29 3.079 35.712 10.155 212 HA CYS 29 HA CYS 29 4.879 37.102 10.222 213 HB2 CYS 29 HB2 CYS 29 2.661 38.827 9.245 214 HB3 CYS 29 HB3 CYS 29 4.147 39.630 9.742 215 H VAL 30 H VAL 30 3.064 36.731 12.644 216 HA VAL 30 HA VAL 30 4.475 38.629 14.328 217 HB VAL 30 HB VAL 30 2.097 39.513 13.560 218 HG11 VAL 30 HG11 VAL 30 0.276 38.829 14.827 219 HG12 VAL 30 HG12 VAL 30 1.109 37.310 14.488 220 HG13 VAL 30 HG13 VAL 30 1.289 38.083 16.063 221 HG21 VAL 30 HG21 VAL 30 2.303 39.938 16.422 222 HG22 VAL 30 HG22 VAL 30 3.865 40.076 15.616 223 HG23 VAL 30 HG23 VAL 30 2.512 41.079 15.094 224 H SER 31 H SER 31 3.699 38.217 16.724 225 HA SER 31 HA SER 31 3.483 35.299 17.081 226 HB2 SER 31 HB2 SER 31 4.929 35.477 19.026 227 HB3 SER 31 HB3 SER 31 5.738 36.196 17.634 228 HG SER 31 HG SER 31 5.656 37.382 19.774 229 H HIS 32 H HIS 32 1.556 34.807 17.881 230 HA HIS 32 HA HIS 32 -0.220 36.594 19.091 231 HB2 HIS 32 HB2 HIS 32 -0.060 33.636 18.811 232 HB3 HIS 32 HB3 HIS 32 -1.173 34.275 20.018 233 HD1 HIS 32 HD1 HIS 32 -3.244 33.525 18.692 234 HD2 HIS 32 HD2 HIS 32 -0.779 36.149 16.618 235 HE1 HIS 32 HE1 HIS 32 -4.578 34.263 16.692 236 H LYS 33 H LYS 33 2.292 34.577 20.444 237 HA LYS 33 HA LYS 33 1.461 34.839 23.163 238 HB2 LYS 33 HB2 LYS 33 4.208 34.161 22.100 239 HB3 LYS 33 HB3 LYS 33 3.602 33.844 23.721 240 HG2 LYS 33 HG2 LYS 33 2.436 32.639 21.222 241 HG3 LYS 33 HG3 LYS 33 3.653 31.855 22.232 242 HD2 LYS 33 HD2 LYS 33 2.146 31.850 24.118 243 HD3 LYS 33 HD3 LYS 33 0.948 32.773 23.207 244 HE2 LYS 33 HE2 LYS 33 0.551 30.953 21.731 245 HE3 LYS 33 HE3 LYS 33 1.944 30.065 22.346 246 HZ1 LYS 33 HZ1 LYS 33 0.769 29.264 24.047 247 HZ2 LYS 33 HZ2 LYS 33 -0.602 29.723 23.170 248 HZ3 LYS 33 HZ3 LYS 33 0.014 30.743 24.371 Start of MODEL 20 1 H1 GLY 1 H GLY 1 3.459 2.406 -3.502 2 HA2 GLY 1 HA2 GLY 1 5.669 1.396 -3.165 3 HA3 GLY 1 HA3 GLY 1 6.211 2.300 -4.571 4 H PHE 2 H PHE 2 7.265 2.271 -1.833 5 HA PHE 2 HA PHE 2 6.552 4.715 -0.555 6 HB2 PHE 2 HB2 PHE 2 7.487 3.052 0.844 7 HB3 PHE 2 HB3 PHE 2 8.857 2.802 -0.233 8 HD1 PHE 2 HD1 PHE 2 10.713 4.378 -0.272 9 HD2 PHE 2 HD2 PHE 2 7.456 4.852 2.426 10 HE1 PHE 2 HE1 PHE 2 12.046 5.967 1.053 11 HE2 PHE 2 HE2 PHE 2 8.783 6.442 3.755 12 HZ PHE 2 HZ PHE 2 11.081 7.002 3.068 13 H TRP 3 H TRP 3 9.431 3.729 -2.410 14 HA TRP 3 HA TRP 3 10.813 6.108 -2.398 15 HB2 TRP 3 HB2 TRP 3 10.671 3.789 -4.244 16 HB3 TRP 3 HB3 TRP 3 11.411 5.256 -4.879 17 HD1 TRP 3 HD1 TRP 3 12.623 2.234 -3.658 18 HE1 TRP 3 HE1 TRP 3 14.801 2.450 -2.304 19 HE3 TRP 3 HE3 TRP 3 12.455 7.242 -2.641 20 HZ2 TRP 3 HZ2 TRP 3 16.255 4.474 -0.979 21 HZ3 TRP 3 HZ3 TRP 3 14.278 8.239 -1.324 22 HH2 TRP 3 HH2 TRP 3 16.137 6.883 -0.510 23 H SER 4 H SER 4 7.878 5.340 -4.041 24 HA SER 4 HA SER 4 8.070 7.648 -5.809 25 HB2 SER 4 HB2 SER 4 6.056 6.838 -6.841 26 HB3 SER 4 HB3 SER 4 7.111 5.448 -6.582 27 HG SER 4 HG SER 4 4.653 5.668 -5.802 28 H SER 5 H SER 5 6.118 6.493 -3.090 29 HA SER 5 HA SER 5 4.434 8.786 -2.991 30 HB2 SER 5 HB2 SER 5 4.919 6.405 -1.276 31 HB3 SER 5 HB3 SER 5 4.182 7.810 -0.506 32 HG SER 5 HG SER 5 3.199 6.795 -2.948 33 H VAL 6 H VAL 6 7.649 8.274 -2.111 34 HA VAL 6 HA VAL 6 7.760 10.079 0.119 35 HB VAL 6 HB VAL 6 9.400 8.167 -0.427 36 HG11 VAL 6 HG11 VAL 6 10.829 10.302 -1.979 37 HG12 VAL 6 HG12 VAL 6 11.199 8.580 -1.868 38 HG13 VAL 6 HG13 VAL 6 9.782 9.123 -2.768 39 HG21 VAL 6 HG21 VAL 6 10.293 9.141 1.366 40 HG22 VAL 6 HG22 VAL 6 11.306 10.068 0.259 41 HG23 VAL 6 HG23 VAL 6 9.783 10.744 0.836 42 H TRP 7 H TRP 7 8.390 10.279 -3.344 43 HA TRP 7 HA TRP 7 9.299 13.020 -3.161 44 HB2 TRP 7 HB2 TRP 7 8.668 11.373 -5.619 45 HB3 TRP 7 HB3 TRP 7 9.551 12.897 -5.579 46 HD1 TRP 7 HD1 TRP 7 10.351 9.530 -6.165 47 HE1 TRP 7 HE1 TRP 7 12.704 8.879 -5.352 48 HE3 TRP 7 HE3 TRP 7 11.238 13.460 -3.018 49 HZ2 TRP 7 HZ2 TRP 7 14.676 9.896 -3.607 50 HZ3 TRP 7 HZ3 TRP 7 13.382 13.546 -1.814 51 HH2 TRP 7 HH2 TRP 7 15.064 11.800 -2.103 52 H ASP 8 H ASP 8 6.419 11.277 -4.217 53 HA ASP 8 HA ASP 8 5.077 13.646 -5.136 54 HB2 ASP 8 HB2 ASP 8 4.619 11.391 -6.077 55 HB3 ASP 8 HB3 ASP 8 3.926 10.915 -4.529 56 H GLY 9 H GLY 9 4.896 11.573 -2.264 57 HA2 GLY 9 HA2 GLY 9 2.737 12.927 -1.037 58 HA3 GLY 9 HA3 GLY 9 3.901 11.893 -0.219 59 H ALA 10 H ALA 10 6.249 13.194 -0.500 60 HA ALA 10 HA ALA 10 6.092 15.213 1.453 61 HB1 ALA 10 HB1 ALA 10 8.087 13.843 1.119 62 HB2 ALA 10 HB2 ALA 10 8.354 14.607 -0.449 63 HB3 ALA 10 HB3 ALA 10 8.469 15.562 1.029 64 H LYS 11 H LYS 11 6.607 15.392 -2.058 65 HA LYS 11 HA LYS 11 7.020 18.100 -2.350 66 HB2 LYS 11 HB2 LYS 11 7.239 16.641 -4.240 67 HB3 LYS 11 HB3 LYS 11 5.549 16.164 -4.140 68 HG2 LYS 11 HG2 LYS 11 5.913 17.703 -5.980 69 HG3 LYS 11 HG3 LYS 11 4.867 18.426 -4.755 70 HD2 LYS 11 HD2 LYS 11 6.522 19.885 -4.024 71 HD3 LYS 11 HD3 LYS 11 7.824 18.900 -4.696 72 HE2 LYS 11 HE2 LYS 11 5.815 20.098 -6.544 73 HE3 LYS 11 HE3 LYS 11 7.067 21.134 -5.861 74 HZ1 LYS 11 HZ1 LYS 11 7.268 19.283 -7.981 75 HZ2 LYS 11 HZ2 LYS 11 8.330 18.831 -6.745 76 HZ3 LYS 11 HZ3 LYS 11 8.427 20.380 -7.417 77 H ASN 12 H ASN 12 3.932 16.372 -2.132 78 HA ASN 12 HA ASN 12 2.388 18.790 -2.363 79 HB2 ASN 12 HB2 ASN 12 1.765 16.282 -2.961 80 HB3 ASN 12 HB3 ASN 12 1.208 16.266 -1.290 81 HD21 ASN 12 HD21 ASN 12 1.030 18.334 -4.168 82 HD22 ASN 12 HD22 ASN 12 -0.639 18.738 -3.982 83 H VAL 13 H VAL 13 3.604 16.762 0.214 84 HA VAL 13 HA VAL 13 2.013 17.778 2.312 85 HB VAL 13 HB VAL 13 4.660 16.371 2.227 86 HG11 VAL 13 HG11 VAL 13 5.038 17.794 4.053 87 HG12 VAL 13 HG12 VAL 13 3.367 17.671 4.606 88 HG13 VAL 13 HG13 VAL 13 4.454 16.292 4.768 89 HG21 VAL 13 HG21 VAL 13 2.580 15.279 3.913 90 HG22 VAL 13 HG22 VAL 13 2.006 15.541 2.267 91 HG23 VAL 13 HG23 VAL 13 3.430 14.542 2.555 92 H GLY 14 H GLY 14 5.395 18.538 1.443 93 HA2 GLY 14 HA2 GLY 14 5.695 20.656 3.262 94 HA3 GLY 14 HA3 GLY 14 6.665 20.412 1.817 95 H THR 15 H THR 15 5.048 20.807 -0.242 96 HA THR 15 HA THR 15 4.839 23.541 -0.514 97 HB THR 15 HB THR 15 4.744 21.830 -2.370 98 HG1 THR 15 HG1 THR 15 3.762 23.296 -3.660 99 HG21 THR 15 HG21 THR 15 2.559 21.001 -3.049 100 HG22 THR 15 HG22 THR 15 1.808 21.786 -1.660 101 HG23 THR 15 HG23 THR 15 2.935 20.452 -1.417 102 H ALA 16 H ALA 16 2.505 21.279 0.785 103 HA ALA 16 HA ALA 16 0.256 22.997 0.755 104 HB1 ALA 16 HB1 ALA 16 -0.392 20.830 1.057 105 HB2 ALA 16 HB2 ALA 16 0.963 20.454 2.122 106 HB3 ALA 16 HB3 ALA 16 -0.409 21.378 2.733 107 H ILE 17 H ILE 17 2.690 22.282 3.238 108 HA ILE 17 HA ILE 17 1.601 23.805 5.309 109 HB ILE 17 HB ILE 17 4.536 23.346 4.764 110 HG12 ILE 17 HG12 ILE 17 3.151 21.261 4.811 111 HG13 ILE 17 HG13 ILE 17 4.350 21.346 6.096 112 HG21 ILE 17 HG21 ILE 17 4.176 25.060 6.427 113 HG22 ILE 17 HG22 ILE 17 3.049 24.021 7.298 114 HG23 ILE 17 HG23 ILE 17 4.757 23.591 7.211 115 HD11 ILE 17 HD11 ILE 17 1.892 20.577 6.570 116 HD12 ILE 17 HD12 ILE 17 2.778 21.565 7.732 117 HD13 ILE 17 HD13 ILE 17 1.599 22.314 6.656 118 H ILE 18 H ILE 18 3.631 24.732 2.592 119 HA ILE 18 HA ILE 18 4.182 27.369 3.512 120 HB ILE 18 HB ILE 18 4.172 26.513 0.626 121 HG12 ILE 18 HG12 ILE 18 5.399 24.799 1.789 122 HG13 ILE 18 HG13 ILE 18 6.562 25.861 1.003 123 HG21 ILE 18 HG21 ILE 18 6.129 28.115 0.589 124 HG22 ILE 18 HG22 ILE 18 4.541 28.835 0.851 125 HG23 ILE 18 HG23 ILE 18 5.640 28.604 2.211 126 HD11 ILE 18 HD11 ILE 18 6.159 26.910 3.569 127 HD12 ILE 18 HD12 ILE 18 6.322 25.164 3.761 128 HD13 ILE 18 HD13 ILE 18 7.586 26.084 2.945 129 H LYS 19 H LYS 19 1.656 25.928 1.541 130 HA LYS 19 HA LYS 19 0.520 28.378 0.648 131 HB2 LYS 19 HB2 LYS 19 -0.557 25.565 0.822 132 HB3 LYS 19 HB3 LYS 19 -1.499 26.903 0.176 133 HG2 LYS 19 HG2 LYS 19 1.096 25.830 -0.907 134 HG3 LYS 19 HG3 LYS 19 -0.505 25.686 -1.635 135 HD2 LYS 19 HD2 LYS 19 -0.162 28.416 -1.223 136 HD3 LYS 19 HD3 LYS 19 1.410 27.851 -1.793 137 HE2 LYS 19 HE2 LYS 19 0.606 27.257 -3.841 138 HE3 LYS 19 HE3 LYS 19 -0.999 26.873 -3.221 139 HZ1 LYS 19 HZ1 LYS 19 -1.540 28.795 -4.210 140 HZ2 LYS 19 HZ2 LYS 19 0.046 29.382 -4.217 141 HZ3 LYS 19 HZ3 LYS 19 -0.897 29.511 -2.818 142 H ASN 20 H ASN 20 0.107 26.384 3.490 143 HA ASN 20 HA ASN 20 -2.231 27.837 4.385 144 HB2 ASN 20 HB2 ASN 20 -0.668 25.493 5.349 145 HB3 ASN 20 HB3 ASN 20 -1.583 26.406 6.546 146 HD21 ASN 20 HD21 ASN 20 -2.318 25.694 3.162 147 HD22 ASN 20 HD22 ASN 20 -3.793 24.851 3.478 148 H ALA 21 H ALA 21 1.215 27.813 4.958 149 HA ALA 21 HA ALA 21 1.135 30.395 6.164 150 HB1 ALA 21 HB1 ALA 21 2.438 29.200 8.241 151 HB2 ALA 21 HB2 ALA 21 0.754 29.723 8.266 152 HB3 ALA 21 HB3 ALA 21 1.150 28.044 7.903 153 H LYS 22 H LYS 22 2.523 30.508 4.242 154 HA LYS 22 HA LYS 22 4.962 29.145 4.003 155 HB2 LYS 22 HB2 LYS 22 5.611 31.032 2.496 156 HB3 LYS 22 HB3 LYS 22 4.057 30.305 2.107 157 HG2 LYS 22 HG2 LYS 22 3.125 32.227 3.623 158 HG3 LYS 22 HG3 LYS 22 4.668 32.991 3.233 159 HD2 LYS 22 HD2 LYS 22 4.183 33.096 0.962 160 HD3 LYS 22 HD3 LYS 22 2.957 31.831 1.065 161 HE2 LYS 22 HE2 LYS 22 1.873 33.956 0.743 162 HE3 LYS 22 HE3 LYS 22 1.535 33.378 2.374 163 HZ1 LYS 22 HZ1 LYS 22 3.657 34.820 2.891 164 HZ2 LYS 22 HZ2 LYS 22 2.115 35.510 2.830 165 HZ3 LYS 22 HZ3 LYS 22 3.157 35.650 1.504 166 H VAL 23 H VAL 23 6.067 29.095 5.951 167 HA VAL 23 HA VAL 23 6.591 31.257 7.631 168 HB VAL 23 HB VAL 23 8.623 29.908 8.350 169 HG11 VAL 23 HG11 VAL 23 5.864 29.498 8.750 170 HG12 VAL 23 HG12 VAL 23 6.607 27.901 8.626 171 HG13 VAL 23 HG13 VAL 23 7.194 29.058 9.821 172 HG21 VAL 23 HG21 VAL 23 9.201 27.956 7.344 173 HG22 VAL 23 HG22 VAL 23 7.553 27.605 6.824 174 HG23 VAL 23 HG23 VAL 23 8.527 28.776 5.935 175 H CYS 24 H CYS 24 9.128 31.746 8.054 176 HA CYS 24 HA CYS 24 9.909 33.332 5.778 177 HB2 CYS 24 HB2 CYS 24 11.561 32.997 8.266 178 HB3 CYS 24 HB3 CYS 24 11.421 34.402 7.215 179 H VAL 25 H VAL 25 11.383 30.692 7.655 180 HA VAL 25 HA VAL 25 13.313 30.291 5.474 181 HB VAL 25 HB VAL 25 13.670 28.694 7.913 182 HG11 VAL 25 HG11 VAL 25 15.876 30.368 7.271 183 HG12 VAL 25 HG12 VAL 25 15.712 28.625 7.046 184 HG13 VAL 25 HG13 VAL 25 15.206 29.733 5.769 185 HG21 VAL 25 HG21 VAL 25 14.668 30.721 9.103 186 HG22 VAL 25 HG22 VAL 25 13.688 31.697 8.009 187 HG23 VAL 25 HG23 VAL 25 12.911 30.563 9.114 188 H TYR 26 H TYR 26 14.035 27.717 5.782 189 HA TYR 26 HA TYR 26 11.905 26.317 4.521 190 HB2 TYR 26 HB2 TYR 26 14.416 25.083 5.654 191 HB3 TYR 26 HB3 TYR 26 13.426 24.489 4.326 192 HD1 TYR 26 HD1 TYR 26 13.383 25.802 2.167 193 HD2 TYR 26 HD2 TYR 26 16.192 26.583 5.267 194 HE1 TYR 26 HE1 TYR 26 14.814 26.995 0.561 195 HE2 TYR 26 HE2 TYR 26 17.630 27.780 3.670 196 HH TYR 26 HH TYR 26 17.570 28.841 1.574 197 H ALA 27 H ALA 27 13.200 26.390 7.778 198 HA ALA 27 HA ALA 27 11.740 24.110 8.705 199 HB1 ALA 27 HB1 ALA 27 13.710 24.612 9.892 200 HB2 ALA 27 HB2 ALA 27 13.245 26.299 10.110 201 HB3 ALA 27 HB3 ALA 27 12.386 25.028 10.980 202 H VAL 28 H VAL 28 11.479 27.091 10.489 203 HA VAL 28 HA VAL 28 8.703 27.500 9.754 204 HB VAL 28 HB VAL 28 8.128 27.493 12.296 205 HG11 VAL 28 HG11 VAL 28 8.450 24.748 11.171 206 HG12 VAL 28 HG12 VAL 28 7.073 25.468 12.008 207 HG13 VAL 28 HG13 VAL 28 7.419 25.910 10.336 208 HG21 VAL 28 HG21 VAL 28 10.058 25.247 12.478 209 HG22 VAL 28 HG22 VAL 28 10.690 26.884 12.658 210 HG23 VAL 28 HG23 VAL 28 9.426 26.303 13.741 211 H CYS 29 H CYS 29 10.580 29.267 9.198 212 HA CYS 29 HA CYS 29 10.991 31.506 9.370 213 HB2 CYS 29 HB2 CYS 29 8.589 31.451 10.386 214 HB3 CYS 29 HB3 CYS 29 9.421 31.665 11.923 215 H VAL 30 H VAL 30 11.964 29.172 11.413 216 HA VAL 30 HA VAL 30 14.100 30.826 12.478 217 HB VAL 30 HB VAL 30 12.546 29.087 14.386 218 HG11 VAL 30 HG11 VAL 30 14.739 31.123 14.684 219 HG12 VAL 30 HG12 VAL 30 13.765 30.565 16.046 220 HG13 VAL 30 HG13 VAL 30 14.757 29.420 15.142 221 HG21 VAL 30 HG21 VAL 30 11.059 30.854 13.659 222 HG22 VAL 30 HG22 VAL 30 11.600 31.170 15.308 223 HG23 VAL 30 HG23 VAL 30 12.305 32.064 13.962 224 H SER 31 H SER 31 15.987 29.767 12.467 225 HA SER 31 HA SER 31 15.936 26.906 11.836 226 HB2 SER 31 HB2 SER 31 18.483 27.472 11.416 227 HB3 SER 31 HB3 SER 31 17.259 27.894 10.219 228 HG SER 31 HG SER 31 18.669 29.543 11.991 229 H HIS 32 H HIS 32 16.008 25.662 13.594 230 HA HIS 32 HA HIS 32 17.101 26.440 16.079 231 HB2 HIS 32 HB2 HIS 32 16.096 23.880 14.913 232 HB3 HIS 32 HB3 HIS 32 17.019 23.815 16.411 233 HD1 HIS 32 HD1 HIS 32 14.221 22.908 16.670 234 HD2 HIS 32 HD2 HIS 32 15.252 26.920 16.991 235 HE1 HIS 32 HE1 HIS 32 12.352 23.981 17.967 236 H LYS 33 H LYS 33 19.216 27.099 15.891 237 HA LYS 33 HA LYS 33 21.156 25.050 15.043 238 HB2 LYS 33 HB2 LYS 33 22.722 26.916 14.641 239 HB3 LYS 33 HB3 LYS 33 21.271 27.037 13.654 240 HG2 LYS 33 HG2 LYS 33 20.365 28.639 15.360 241 HG3 LYS 33 HG3 LYS 33 21.965 28.631 16.107 242 HD2 LYS 33 HD2 LYS 33 22.949 29.427 14.016 243 HD3 LYS 33 HD3 LYS 33 21.356 29.415 13.255 244 HE2 LYS 33 HE2 LYS 33 20.580 31.077 14.886 245 HE3 LYS 33 HE3 LYS 33 22.182 31.096 15.621 246 HZ1 LYS 33 HZ1 LYS 33 22.011 31.617 12.752 247 HZ2 LYS 33 HZ2 LYS 33 23.056 32.273 13.909 248 HZ3 LYS 33 HZ3 LYS 33 21.465 32.834 13.793
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