NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
647522 | 6u7u | 30669 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -8.317 0.925 2.351 2 HA2 GLY 1 2HA GLY 1 -7.642 0.714 4.775 3 HA3 GLY 1 1HA GLY 1 -8.485 -0.826 4.718 4 H ARG 2 H ARG 2 -7.433 -1.111 1.855 5 HA ARG 2 HA ARG 2 -5.248 -2.734 2.544 6 HB2 ARG 2 2HB ARG 2 -6.603 -3.263 0.615 7 HB3 ARG 2 1HB ARG 2 -6.173 -1.747 -0.154 8 HG2 ARG 2 2HG ARG 2 -4.999 -3.657 -1.144 9 HG3 ARG 2 1HG ARG 2 -3.880 -2.504 -0.422 10 HD2 ARG 2 2HD ARG 2 -3.679 -3.921 1.549 11 HD3 ARG 2 1HD ARG 2 -4.825 -5.071 0.850 12 HE ARG 2 HE ARG 2 -3.092 -5.144 -1.025 13 HH11 ARG 2 1HH1 ARG 2 -2.289 -4.846 2.422 14 HH12 ARG 2 2HH1 ARG 2 -0.787 -5.626 2.250 15 HH21 ARG 2 1HH2 ARG 2 -1.082 -6.230 -1.215 16 HH22 ARG 2 2HH2 ARG 2 -0.080 -6.445 0.154 17 H ALA 3 H AZH 3 -3.305 -2.183 3.042 18 HA ALA 3 HA AZH 3 -1.983 0.077 1.729 19 HB1 ALA 3 1HB AZH 3 -0.754 0.059 4.099 20 HB2 ALA 3 2HB AZH 3 -2.314 -0.562 4.621 21 H THR 4 H THR 4 -0.009 -0.431 0.924 22 HA THR 4 HA THR 4 0.742 -3.186 1.088 23 HB THR 4 HB THR 4 2.524 -2.535 -0.534 24 HG1 THR 4 1HG THR 4 3.000 -0.529 -0.734 25 HG21 THR 4 1HG2 THR 4 0.990 -2.021 -2.394 26 HG22 THR 4 2HG2 THR 4 -0.262 -1.588 -1.232 27 HG23 THR 4 3HG2 THR 4 0.314 -3.252 -1.327 28 H LYS 5 H LYS 5 2.565 -4.014 1.976 29 HA LYS 5 HA LYS 5 3.737 -2.419 4.095 30 HB2 LYS 5 2HB LYS 5 4.368 -5.278 3.332 31 HB3 LYS 5 1HB LYS 5 4.778 -4.477 4.839 32 HG2 LYS 5 2HG LYS 5 2.004 -5.164 3.884 33 HG3 LYS 5 1HG LYS 5 2.908 -5.983 5.154 34 HD2 LYS 5 2HD LYS 5 2.837 -3.989 6.519 35 HD3 LYS 5 1HD LYS 5 2.052 -3.090 5.216 36 HE2 LYS 5 2HE LYS 5 0.139 -4.600 5.333 37 HE3 LYS 5 1HE LYS 5 0.926 -5.499 6.627 38 HZ1 LYS 5 1HZ LYS 5 -0.687 -3.945 7.481 39 HZ2 LYS 5 2HZ LYS 5 0.123 -2.641 6.772 40 HZ3 LYS 5 3HZ LYS 5 0.855 -3.533 7.994 41 H SER 6 H SER 6 4.562 -3.678 0.982 42 HA SER 6 HA SER 6 7.305 -2.833 1.302 43 HB2 SER 6 2HB SER 6 7.496 -3.866 -1.017 44 HB3 SER 6 1HB SER 6 7.156 -4.970 0.312 45 HG SER 6 HG SER 6 5.361 -3.934 -1.628 46 H ILE 7 H ILE 7 8.273 -1.579 -0.441 47 HA ILE 7 HA ILE 7 6.725 0.732 -1.054 48 HB ILE 7 HB ILE 7 8.778 1.554 -2.176 49 HG12 ILE 7 2HG1 ILE 7 9.962 -1.139 -1.428 50 HG13 ILE 7 1HG1 ILE 7 9.542 -0.642 -3.059 51 HG21 ILE 7 1HG2 ILE 7 9.243 0.325 0.540 52 HG22 ILE 7 2HG2 ILE 7 8.521 1.901 0.216 53 HG23 ILE 7 3HG2 ILE 7 10.217 1.609 -0.176 54 HD11 ILE 7 1HD1 ILE 7 11.629 0.619 -1.298 55 HD12 ILE 7 2HD1 ILE 7 11.224 1.130 -2.935 56 HD13 ILE 7 3HD1 ILE 7 11.931 -0.462 -2.658 57 HA PRO 8 HA PRO 8 6.709 2.422 -2.585 58 HB2 PRO 8 2HB PRO 8 4.552 3.342 -3.975 59 HB3 PRO 8 1HB PRO 8 6.178 3.308 -4.661 60 HG2 PRO 8 2HG PRO 8 3.913 1.396 -5.055 61 HG3 PRO 8 1HG PRO 8 5.057 2.037 -6.247 62 HD2 PRO 8 2HD PRO 8 5.300 -0.441 -5.163 63 HD3 PRO 8 1HD PRO 8 6.692 0.530 -5.675 64 HA PRO 9 HA PRO 9 3.513 1.323 0.394 65 HB2 PRO 9 2HB PRO 9 3.752 4.073 1.418 66 HB3 PRO 9 1HB PRO 9 4.110 2.552 2.240 67 HG2 PRO 9 2HG PRO 9 6.071 4.235 1.485 68 HG3 PRO 9 1HG PRO 9 6.277 2.475 1.450 69 HD2 PRO 9 2HD PRO 9 5.677 4.352 -0.802 70 HD3 PRO 9 1HD PRO 9 6.817 2.988 -0.733 71 H ARG 10 H ARG 10 1.686 1.200 -0.743 72 HA ARG 10 HA ARG 10 0.346 3.685 -1.521 73 HB2 ARG 10 2HB ARG 10 1.103 2.335 -3.422 74 HB3 ARG 10 1HB ARG 10 0.246 0.947 -2.781 75 HG2 ARG 10 2HG ARG 10 -1.876 2.043 -3.152 76 HG3 ARG 10 1HG ARG 10 -1.048 3.508 -3.692 77 HD2 ARG 10 2HD ARG 10 -0.854 0.800 -5.005 78 HD3 ARG 10 1HD ARG 10 -1.833 2.147 -5.583 79 HE ARG 10 HE ARG 10 0.601 3.239 -5.424 80 HH11 ARG 10 1HH1 ARG 10 -0.453 0.213 -6.922 81 HH12 ARG 10 2HH1 ARG 10 0.651 0.289 -8.206 82 HH21 ARG 10 1HH2 ARG 10 2.150 3.335 -7.184 83 HH22 ARG 10 2HH2 ARG 10 2.188 2.118 -8.356 84 H ALA 11 H PRG 11 -1.645 3.998 -0.749 85 HA ALA 11 HA PRG 11 -2.865 1.748 0.625 86 HB1 ALA 11 1HB PRG 11 -3.664 3.187 2.397 87 HB2 ALA 11 2HB PRG 11 -2.944 4.601 1.688 88 H PHE 12 H PHE 12 -4.920 1.536 0.464 89 HA PHE 12 HA PHE 12 -6.311 3.273 -1.449 90 HB2 PHE 12 2HB PHE 12 -6.820 0.368 -0.735 91 HB3 PHE 12 1HB PHE 12 -7.702 1.292 -1.938 92 HD1 PHE 12 1HD PHE 12 -6.708 1.782 -4.092 93 HD2 PHE 12 2HD PHE 12 -4.573 -0.434 -1.166 94 HE1 PHE 12 1HE PHE 12 -5.102 1.061 -5.812 95 HE2 PHE 12 2HE PHE 12 -2.968 -1.161 -2.873 96 HZ PHE 12 HZ PHE 12 -3.228 -0.420 -5.201 97 HA PRO 13 HA PRO 13 -8.849 4.691 1.906 98 HB2 PRO 13 2HB PRO 13 -11.185 4.448 0.082 99 HB3 PRO 13 1HB PRO 13 -10.594 5.853 0.972 100 HG2 PRO 13 2HG PRO 13 -10.200 5.676 -1.643 101 HG3 PRO 13 1HG PRO 13 -8.925 6.301 -0.583 102 HD2 PRO 13 2HD PRO 13 -9.175 3.600 -1.853 103 HD3 PRO 13 1HD PRO 13 -7.745 4.634 -1.656 104 H ASP 14 H ASP 14 -9.667 1.723 0.389 105 HA ASP 14 HA ASP 14 -11.746 0.943 2.196 106 HB2 ASP 14 2HB ASP 14 -11.337 -1.362 1.265 107 HB3 ASP 14 1HB ASP 14 -11.750 -0.130 0.077 108 H1 WMH 101 1HG AZH 3 -2.779 1.741 4.845 109 H2 WMH 101 2HG AZH 3 -3.150 1.458 3.179 110 H5 WMH 101 HD PRG 11 -0.208 4.782 1.759 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -8.899 1.159 3.029 2 HA2 GLY 1 2HA GLY 1 -7.884 0.173 4.861 3 HA3 GLY 1 1HA GLY 1 -9.067 -1.131 4.764 4 H ARG 2 H ARG 2 -6.359 0.181 2.917 5 HA ARG 2 HA ARG 2 -5.156 -2.404 2.726 6 HB2 ARG 2 2HB ARG 2 -6.763 -2.651 0.983 7 HB3 ARG 2 1HB ARG 2 -6.412 -1.059 0.346 8 HG2 ARG 2 2HG ARG 2 -4.302 -1.806 -0.501 9 HG3 ARG 2 1HG ARG 2 -4.474 -3.361 0.320 10 HD2 ARG 2 2HD ARG 2 -5.035 -3.339 -2.154 11 HD3 ARG 2 1HD ARG 2 -6.254 -4.026 -1.083 12 HE ARG 2 HE ARG 2 -7.264 -1.670 -1.230 13 HH11 ARG 2 1HH1 ARG 2 -5.679 -3.325 -3.928 14 HH12 ARG 2 2HH1 ARG 2 -6.599 -2.531 -5.118 15 HH21 ARG 2 1HH2 ARG 2 -8.458 -0.589 -2.779 16 HH22 ARG 2 2HH2 ARG 2 -8.261 -0.886 -4.450 17 H ALA 3 H AZH 3 -3.188 -1.907 3.225 18 HA ALA 3 HA AZH 3 -1.799 0.209 1.804 19 HB1 ALA 3 1HB AZH 3 -0.484 0.233 4.147 20 HB2 ALA 3 2HB AZH 3 -2.082 -0.205 4.736 21 H THR 4 H THR 4 0.138 -0.410 1.024 22 HA THR 4 HA THR 4 0.753 -3.196 1.281 23 HB THR 4 HB THR 4 2.541 -2.704 -0.371 24 HG1 THR 4 1HG THR 4 3.163 -0.710 -0.228 25 HG21 THR 4 1HG2 THR 4 0.302 -3.337 -1.130 26 HG22 THR 4 2HG2 THR 4 1.019 -2.170 -2.239 27 HG23 THR 4 3HG2 THR 4 -0.204 -1.649 -1.078 28 H LYS 5 H LYS 5 2.553 -4.063 2.137 29 HA LYS 5 HA LYS 5 3.898 -2.551 4.178 30 HB2 LYS 5 2HB LYS 5 3.197 -4.936 4.481 31 HB3 LYS 5 1HB LYS 5 4.322 -5.390 3.214 32 HG2 LYS 5 2HG LYS 5 6.191 -4.645 4.584 33 HG3 LYS 5 1HG LYS 5 5.075 -4.133 5.849 34 HD2 LYS 5 2HD LYS 5 5.981 -6.284 6.461 35 HD3 LYS 5 1HD LYS 5 4.287 -6.497 6.030 36 HE2 LYS 5 2HE LYS 5 5.553 -8.298 5.063 37 HE3 LYS 5 1HE LYS 5 5.026 -7.243 3.760 38 HZ1 LYS 5 1HZ LYS 5 7.753 -7.334 4.958 39 HZ2 LYS 5 2HZ LYS 5 7.278 -6.223 3.803 40 HZ3 LYS 5 3HZ LYS 5 7.302 -7.847 3.425 41 H SER 6 H SER 6 4.525 -3.942 1.004 42 HA SER 6 HA SER 6 7.293 -3.190 1.016 43 HB2 SER 6 2HB SER 6 7.158 -4.098 -1.328 44 HB3 SER 6 1HB SER 6 6.671 -5.240 -0.069 45 HG SER 6 HG SER 6 4.956 -5.414 -1.202 46 H ILE 7 H ILE 7 8.164 -1.779 -0.638 47 HA ILE 7 HA ILE 7 6.510 0.561 -0.957 48 HB ILE 7 HB ILE 7 8.543 1.683 -1.796 49 HG12 ILE 7 2HG1 ILE 7 9.981 -0.923 -1.260 50 HG13 ILE 7 1HG1 ILE 7 9.556 -0.347 -2.872 51 HG21 ILE 7 1HG2 ILE 7 8.964 0.159 0.764 52 HG22 ILE 7 2HG2 ILE 7 8.102 1.686 0.580 53 HG23 ILE 7 3HG2 ILE 7 9.839 1.611 0.278 54 HD11 ILE 7 1HD1 ILE 7 11.400 1.019 -0.919 55 HD12 ILE 7 2HD1 ILE 7 10.989 1.602 -2.533 56 HD13 ILE 7 3HD1 ILE 7 11.880 0.092 -2.341 57 HA PRO 8 HA PRO 8 6.840 2.495 -2.396 58 HB2 PRO 8 2HB PRO 8 4.567 3.090 -4.162 59 HB3 PRO 8 1HB PRO 8 6.135 3.900 -4.069 60 HG2 PRO 8 2HG PRO 8 5.447 2.386 -6.182 61 HG3 PRO 8 1HG PRO 8 7.115 2.460 -5.587 62 HD2 PRO 8 2HD PRO 8 5.031 0.358 -5.103 63 HD3 PRO 8 1HD PRO 8 6.746 0.157 -5.518 64 HA PRO 9 HA PRO 9 3.450 1.655 0.412 65 HB2 PRO 9 2HB PRO 9 3.373 4.593 0.736 66 HB3 PRO 9 1HB PRO 9 3.532 3.337 1.971 67 HG2 PRO 9 2HG PRO 9 5.672 4.776 1.309 68 HG3 PRO 9 1HG PRO 9 5.816 3.029 1.559 69 HD2 PRO 9 2HD PRO 9 5.674 4.560 -1.011 70 HD3 PRO 9 1HD PRO 9 6.715 3.195 -0.542 71 H ARG 10 H ARG 10 1.802 1.071 -0.848 72 HA ARG 10 HA ARG 10 0.263 3.079 -2.289 73 HB2 ARG 10 2HB ARG 10 0.442 0.064 -2.423 74 HB3 ARG 10 1HB ARG 10 -0.767 0.989 -3.300 75 HG2 ARG 10 2HG ARG 10 0.744 1.782 -4.819 76 HG3 ARG 10 1HG ARG 10 2.081 1.743 -3.669 77 HD2 ARG 10 2HD ARG 10 0.819 -0.769 -4.741 78 HD3 ARG 10 1HD ARG 10 2.133 0.048 -5.589 79 HE ARG 10 HE ARG 10 3.036 -0.187 -3.056 80 HH11 ARG 10 1HH1 ARG 10 1.842 -2.589 -5.373 81 HH12 ARG 10 2HH1 ARG 10 2.848 -3.835 -4.820 82 HH21 ARG 10 1HH2 ARG 10 4.441 -1.906 -2.305 83 HH22 ARG 10 2HH2 ARG 10 4.387 -3.437 -3.024 84 H ALA 11 H PRG 11 -1.359 3.885 -1.008 85 HA ALA 11 HA PRG 11 -2.730 1.927 0.652 86 HB1 ALA 11 1HB PRG 11 -3.180 3.582 2.366 87 HB2 ALA 11 2HB PRG 11 -2.344 4.833 1.494 88 H PHE 12 H PHE 12 -4.800 1.883 0.638 89 HA PHE 12 HA PHE 12 -6.203 3.768 -1.124 90 HB2 PHE 12 2HB PHE 12 -6.536 0.750 -1.041 91 HB3 PHE 12 1HB PHE 12 -7.522 1.844 -2.000 92 HD1 PHE 12 1HD PHE 12 -4.305 0.162 -1.718 93 HD2 PHE 12 2HD PHE 12 -6.576 2.983 -3.948 94 HE1 PHE 12 1HE PHE 12 -2.670 0.024 -3.543 95 HE2 PHE 12 2HE PHE 12 -4.942 2.859 -5.778 96 HZ PHE 12 HZ PHE 12 -2.980 1.382 -5.577 97 HA PRO 13 HA PRO 13 -8.930 4.349 2.282 98 HB2 PRO 13 2HB PRO 13 -11.196 5.117 1.048 99 HB3 PRO 13 1HB PRO 13 -9.737 6.114 1.091 100 HG2 PRO 13 2HG PRO 13 -10.711 4.292 -1.080 101 HG3 PRO 13 1HG PRO 13 -10.129 5.963 -1.220 102 HD2 PRO 13 2HD PRO 13 -8.556 3.868 -1.786 103 HD3 PRO 13 1HD PRO 13 -7.918 5.336 -1.013 104 H ASP 14 H ASP 14 -9.132 1.631 0.683 105 HA ASP 14 HA ASP 14 -11.699 0.790 1.824 106 HB2 ASP 14 2HB ASP 14 -11.477 -1.225 0.384 107 HB3 ASP 14 1HB ASP 14 -11.536 0.273 -0.534 108 H1 WMH 101 1HG AZH 3 -2.301 2.150 4.808 109 H2 WMH 101 2HG AZH 3 -2.788 1.780 3.187 110 H5 WMH 101 HD PRG 11 0.388 4.690 1.401 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -8.718 1.249 2.647 2 HA2 GLY 1 2HA GLY 1 -7.852 1.012 4.848 3 HA3 GLY 1 1HA GLY 1 -8.920 -0.359 5.082 4 H ARG 2 H ARG 2 -6.791 0.125 2.305 5 HA ARG 2 HA ARG 2 -5.290 -2.240 3.262 6 HB2 ARG 2 2HB ARG 2 -5.633 -1.470 0.359 7 HB3 ARG 2 1HB ARG 2 -4.981 -2.961 1.000 8 HG2 ARG 2 2HG ARG 2 -7.844 -2.068 1.194 9 HG3 ARG 2 1HG ARG 2 -7.198 -3.244 0.055 10 HD2 ARG 2 2HD ARG 2 -6.671 -4.759 1.823 11 HD3 ARG 2 1HD ARG 2 -7.069 -3.547 3.047 12 HE ARG 2 HE ARG 2 -9.329 -3.686 1.689 13 HH11 ARG 2 1HH1 ARG 2 -7.310 -6.327 2.972 14 HH12 ARG 2 2HH1 ARG 2 -8.631 -7.364 3.258 15 HH21 ARG 2 1HH2 ARG 2 -11.118 -5.108 2.173 16 HH22 ARG 2 2HH2 ARG 2 -10.836 -6.650 2.825 17 H ALA 3 H AZH 3 -3.077 -2.059 3.232 18 HA ALA 3 HA AZH 3 -1.860 0.177 1.866 19 HB1 ALA 3 1HB AZH 3 -0.452 0.327 4.130 20 HB2 ALA 3 2HB AZH 3 -1.979 -0.213 4.820 21 H THR 4 H THR 4 0.093 -0.317 1.030 22 HA THR 4 HA THR 4 0.755 -3.094 1.144 23 HB THR 4 HB THR 4 2.379 -2.568 -0.636 24 HG1 THR 4 1HG THR 4 3.072 -0.601 -0.471 25 HG21 THR 4 1HG2 THR 4 0.739 -1.918 -2.352 26 HG22 THR 4 2HG2 THR 4 -0.372 -1.396 -1.085 27 HG23 THR 4 3HG2 THR 4 0.064 -3.099 -1.228 28 H LYS 5 H LYS 5 2.381 -4.003 2.149 29 HA LYS 5 HA LYS 5 4.143 -2.407 3.754 30 HB2 LYS 5 2HB LYS 5 5.128 -4.609 4.440 31 HB3 LYS 5 1HB LYS 5 3.415 -4.456 4.782 32 HG2 LYS 5 2HG LYS 5 2.939 -5.805 2.759 33 HG3 LYS 5 1HG LYS 5 4.672 -5.992 2.513 34 HD2 LYS 5 2HD LYS 5 3.232 -6.853 5.023 35 HD3 LYS 5 1HD LYS 5 3.540 -7.929 3.669 36 HE2 LYS 5 2HE LYS 5 5.679 -6.474 5.228 37 HE3 LYS 5 1HE LYS 5 5.200 -8.142 5.503 38 HZ1 LYS 5 1HZ LYS 5 5.901 -8.684 3.253 39 HZ2 LYS 5 2HZ LYS 5 7.167 -7.973 4.101 40 HZ3 LYS 5 3HZ LYS 5 6.310 -7.081 2.969 41 H SER 6 H SER 6 4.139 -3.894 0.667 42 HA SER 6 HA SER 6 6.975 -3.658 0.353 43 HB2 SER 6 2HB SER 6 6.448 -4.266 -2.045 44 HB3 SER 6 1HB SER 6 5.901 -5.451 -0.861 45 HG SER 6 HG SER 6 3.879 -4.965 -1.261 46 H ILE 7 H ILE 7 8.014 -2.004 -0.621 47 HA ILE 7 HA ILE 7 6.520 0.454 -0.809 48 HB ILE 7 HB ILE 7 8.714 1.555 -1.179 49 HG12 ILE 7 2HG1 ILE 7 9.898 -1.203 -0.768 50 HG13 ILE 7 1HG1 ILE 7 9.843 -0.358 -2.313 51 HG21 ILE 7 1HG2 ILE 7 9.607 1.165 1.067 52 HG22 ILE 7 2HG2 ILE 7 8.586 -0.266 1.210 53 HG23 ILE 7 3HG2 ILE 7 7.850 1.329 1.063 54 HD11 ILE 7 1HD1 ILE 7 11.282 1.386 -1.403 55 HD12 ILE 7 2HD1 ILE 7 12.035 -0.203 -1.260 56 HD13 ILE 7 3HD1 ILE 7 11.306 0.559 0.153 57 HA PRO 8 HA PRO 8 7.107 2.624 -1.851 58 HB2 PRO 8 2HB PRO 8 5.296 4.000 -3.330 59 HB3 PRO 8 1HB PRO 8 7.009 3.946 -3.751 60 HG2 PRO 8 2HG PRO 8 4.737 2.343 -4.859 61 HG3 PRO 8 1HG PRO 8 6.064 3.144 -5.720 62 HD2 PRO 8 2HD PRO 8 6.080 0.495 -5.213 63 HD3 PRO 8 1HD PRO 8 7.570 1.462 -5.221 64 HA PRO 9 HA PRO 9 3.494 1.611 0.515 65 HB2 PRO 9 2HB PRO 9 3.015 4.029 1.713 66 HB3 PRO 9 1HB PRO 9 4.277 2.907 2.239 67 HG2 PRO 9 2HG PRO 9 4.503 5.344 0.520 68 HG3 PRO 9 1HG PRO 9 5.583 4.779 1.807 69 HD2 PRO 9 2HD PRO 9 6.148 4.423 -0.809 70 HD3 PRO 9 1HD PRO 9 6.622 3.242 0.430 71 H ARG 10 H ARG 10 1.829 1.232 -0.780 72 HA ARG 10 HA ARG 10 0.358 3.467 -1.968 73 HB2 ARG 10 2HB ARG 10 0.588 0.540 -2.669 74 HB3 ARG 10 1HB ARG 10 -0.604 1.609 -3.391 75 HG2 ARG 10 2HG ARG 10 0.945 2.697 -4.669 76 HG3 ARG 10 1HG ARG 10 2.250 2.422 -3.511 77 HD2 ARG 10 2HD ARG 10 0.992 0.232 -5.147 78 HD3 ARG 10 1HD ARG 10 2.437 1.110 -5.657 79 HE ARG 10 HE ARG 10 3.256 0.386 -3.328 80 HH11 ARG 10 1HH1 ARG 10 1.325 -1.649 -5.494 81 HH12 ARG 10 2HH1 ARG 10 1.978 -3.111 -4.943 82 HH21 ARG 10 1HH2 ARG 10 4.175 -1.602 -2.571 83 HH22 ARG 10 2HH2 ARG 10 3.680 -3.090 -3.185 84 H ALA 11 H PRG 11 -1.599 3.841 -1.075 85 HA ALA 11 HA PRG 11 -2.687 1.668 0.515 86 HB1 ALA 11 1HB PRG 11 -3.496 3.183 2.217 87 HB2 ALA 11 2HB PRG 11 -2.891 4.589 1.400 88 H PHE 12 H PHE 12 -4.872 1.587 0.735 89 HA PHE 12 HA PHE 12 -6.312 2.814 -1.518 90 HB2 PHE 12 2HB PHE 12 -6.636 0.006 -0.428 91 HB3 PHE 12 1HB PHE 12 -7.536 0.707 -1.756 92 HD1 PHE 12 1HD PHE 12 -6.573 0.967 -3.930 93 HD2 PHE 12 2HD PHE 12 -4.248 -0.634 -0.744 94 HE1 PHE 12 1HE PHE 12 -4.883 0.208 -5.531 95 HE2 PHE 12 2HE PHE 12 -2.567 -1.395 -2.343 96 HZ PHE 12 HZ PHE 12 -2.878 -0.972 -4.744 97 HA PRO 13 HA PRO 13 -8.982 4.482 1.539 98 HB2 PRO 13 2HB PRO 13 -11.283 4.700 0.107 99 HB3 PRO 13 1HB PRO 13 -9.900 5.785 -0.074 100 HG2 PRO 13 2HG PRO 13 -10.654 3.392 -1.713 101 HG3 PRO 13 1HG PRO 13 -10.124 4.993 -2.262 102 HD2 PRO 13 2HD PRO 13 -8.428 2.935 -2.200 103 HD3 PRO 13 1HD PRO 13 -7.896 4.566 -1.740 104 H ASP 14 H ASP 14 -9.520 1.312 0.464 105 HA ASP 14 HA ASP 14 -11.850 1.071 2.207 106 HB2 ASP 14 2HB ASP 14 -12.255 -1.106 1.301 107 HB3 ASP 14 1HB ASP 14 -11.867 -0.068 -0.056 108 H1 WMH 101 1HG AZH 3 -2.369 2.134 4.868 109 H2 WMH 101 2HG AZH 3 -2.911 1.687 3.292 110 H5 WMH 101 HD PRG 11 -0.140 4.859 1.274 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -8.813 0.917 2.840 2 HA2 GLY 1 2HA GLY 1 -7.871 0.038 4.812 3 HA3 GLY 1 1HA GLY 1 -8.942 -1.349 4.652 4 H ARG 2 H ARG 2 -6.404 0.232 2.758 5 HA ARG 2 HA ARG 2 -5.136 -2.362 2.411 6 HB2 ARG 2 2HB ARG 2 -6.844 -1.954 0.592 7 HB3 ARG 2 1HB ARG 2 -5.844 -0.609 0.089 8 HG2 ARG 2 2HG ARG 2 -3.974 -2.145 -0.313 9 HG3 ARG 2 1HG ARG 2 -5.007 -3.499 0.151 10 HD2 ARG 2 2HD ARG 2 -5.343 -1.653 -2.215 11 HD3 ARG 2 1HD ARG 2 -5.011 -3.387 -2.223 12 HE ARG 2 HE ARG 2 -7.507 -2.435 -1.028 13 HH11 ARG 2 1HH1 ARG 2 -5.950 -4.071 -3.746 14 HH12 ARG 2 2HH1 ARG 2 -7.373 -4.782 -4.324 15 HH21 ARG 2 1HH2 ARG 2 -9.391 -3.330 -1.756 16 HH22 ARG 2 2HH2 ARG 2 -9.461 -4.326 -3.160 17 H ALA 3 H AZH 3 -3.129 -1.903 2.993 18 HA ALA 3 HA AZH 3 -1.792 0.364 1.739 19 HB1 ALA 3 1HB AZH 3 -0.470 0.308 4.060 20 HB2 ALA 3 2HB AZH 3 -2.025 -0.263 4.651 21 H THR 4 H THR 4 0.100 -0.228 0.846 22 HA THR 4 HA THR 4 0.850 -2.972 1.181 23 HB THR 4 HB THR 4 2.522 -2.416 -0.635 24 HG1 THR 4 1HG THR 4 2.736 -0.445 -1.245 25 HG21 THR 4 1HG2 THR 4 0.834 -2.295 -2.424 26 HG22 THR 4 2HG2 THR 4 -0.386 -1.841 -1.234 27 HG23 THR 4 3HG2 THR 4 0.360 -3.438 -1.168 28 H LYS 5 H LYS 5 2.468 -3.646 2.322 29 HA LYS 5 HA LYS 5 3.954 -1.782 3.954 30 HB2 LYS 5 2HB LYS 5 4.171 -4.802 3.749 31 HB3 LYS 5 1HB LYS 5 4.861 -3.795 5.020 32 HG2 LYS 5 2HG LYS 5 2.654 -3.138 5.747 33 HG3 LYS 5 1HG LYS 5 1.928 -4.054 4.428 34 HD2 LYS 5 2HD LYS 5 1.716 -5.310 6.469 35 HD3 LYS 5 1HD LYS 5 2.885 -6.116 5.430 36 HE2 LYS 5 2HE LYS 5 4.711 -5.260 6.706 37 HE3 LYS 5 1HE LYS 5 3.631 -4.237 7.658 38 HZ1 LYS 5 1HZ LYS 5 4.250 -6.254 8.852 39 HZ2 LYS 5 2HZ LYS 5 3.595 -7.206 7.623 40 HZ3 LYS 5 3HZ LYS 5 2.593 -6.209 8.537 41 H SER 6 H SER 6 4.372 -3.855 1.202 42 HA SER 6 HA SER 6 7.156 -3.516 0.964 43 HB2 SER 6 2HB SER 6 6.544 -4.516 -1.333 44 HB3 SER 6 1HB SER 6 6.229 -5.502 0.099 45 HG SER 6 HG SER 6 4.525 -5.119 -1.646 46 H ILE 7 H ILE 7 8.194 -2.063 -0.412 47 HA ILE 7 HA ILE 7 6.710 0.310 -1.003 48 HB ILE 7 HB ILE 7 8.834 1.277 -1.750 49 HG12 ILE 7 2HG1 ILE 7 10.052 -1.449 -1.217 50 HG13 ILE 7 1HG1 ILE 7 9.748 -0.796 -2.821 51 HG21 ILE 7 1HG2 ILE 7 8.319 1.263 0.626 52 HG22 ILE 7 2HG2 ILE 7 10.054 1.099 0.366 53 HG23 ILE 7 3HG2 ILE 7 9.091 -0.313 0.798 54 HD11 ILE 7 1HD1 ILE 7 11.317 1.020 -2.373 55 HD12 ILE 7 2HD1 ILE 7 12.082 -0.558 -2.186 56 HD13 ILE 7 3HD1 ILE 7 11.608 0.369 -0.762 57 HA PRO 8 HA PRO 8 6.904 2.132 -2.448 58 HB2 PRO 8 2HB PRO 8 4.900 3.146 -3.945 59 HB3 PRO 8 1HB PRO 8 6.565 3.063 -4.531 60 HG2 PRO 8 2HG PRO 8 4.269 1.215 -5.069 61 HG3 PRO 8 1HG PRO 8 5.449 1.875 -6.213 62 HD2 PRO 8 2HD PRO 8 5.644 -0.623 -5.206 63 HD3 PRO 8 1HD PRO 8 7.071 0.350 -5.605 64 HA PRO 9 HA PRO 9 3.387 1.158 0.215 65 HB2 PRO 9 2HB PRO 9 3.695 3.753 1.482 66 HB3 PRO 9 1HB PRO 9 4.064 2.159 2.139 67 HG2 PRO 9 2HG PRO 9 5.975 4.010 1.517 68 HG3 PRO 9 1HG PRO 9 6.259 2.262 1.500 69 HD2 PRO 9 2HD PRO 9 5.736 4.124 -0.780 70 HD3 PRO 9 1HD PRO 9 6.859 2.748 -0.653 71 H ARG 10 H ARG 10 1.600 1.270 -0.974 72 HA ARG 10 HA ARG 10 0.463 3.901 -1.585 73 HB2 ARG 10 2HB ARG 10 0.080 1.245 -2.984 74 HB3 ARG 10 1HB ARG 10 -0.778 2.724 -3.391 75 HG2 ARG 10 2HG ARG 10 1.303 3.785 -4.046 76 HG3 ARG 10 1HG ARG 10 2.206 2.348 -3.566 77 HD2 ARG 10 2HD ARG 10 1.023 1.039 -5.247 78 HD3 ARG 10 1HD ARG 10 0.103 2.469 -5.718 79 HE ARG 10 HE ARG 10 2.674 3.239 -5.974 80 HH11 ARG 10 1HH1 ARG 10 0.818 0.520 -7.314 81 HH12 ARG 10 2HH1 ARG 10 1.725 0.429 -8.752 82 HH21 ARG 10 1HH2 ARG 10 3.935 3.091 -7.983 83 HH22 ARG 10 2HH2 ARG 10 3.543 1.910 -9.127 84 H ALA 11 H PRG 11 -1.518 4.298 -0.722 85 HA ALA 11 HA PRG 11 -2.780 2.053 0.639 86 HB1 ALA 11 1HB PRG 11 -3.452 3.464 2.475 87 HB2 ALA 11 2HB PRG 11 -2.781 4.893 1.746 88 H PHE 12 H PHE 12 -4.966 2.074 0.805 89 HA PHE 12 HA PHE 12 -6.397 3.882 -0.995 90 HB2 PHE 12 2HB PHE 12 -6.674 0.856 -1.008 91 HB3 PHE 12 1HB PHE 12 -7.618 1.977 -1.965 92 HD1 PHE 12 1HD PHE 12 -4.467 0.217 -1.654 93 HD2 PHE 12 2HD PHE 12 -6.569 3.195 -3.846 94 HE1 PHE 12 1HE PHE 12 -2.797 0.062 -3.452 95 HE2 PHE 12 2HE PHE 12 -4.898 3.046 -5.645 96 HZ PHE 12 HZ PHE 12 -3.014 1.479 -5.447 97 HA PRO 13 HA PRO 13 -9.165 4.184 2.381 98 HB2 PRO 13 2HB PRO 13 -11.489 4.826 1.181 99 HB3 PRO 13 1HB PRO 13 -10.105 5.925 1.231 100 HG2 PRO 13 2HG PRO 13 -10.989 4.100 -0.976 101 HG3 PRO 13 1HG PRO 13 -10.479 5.797 -1.065 102 HD2 PRO 13 2HD PRO 13 -8.821 3.767 -1.684 103 HD3 PRO 13 1HD PRO 13 -8.239 5.263 -0.930 104 H ASP 14 H ASP 14 -9.258 1.439 0.666 105 HA ASP 14 HA ASP 14 -11.790 0.490 1.814 106 HB2 ASP 14 2HB ASP 14 -11.618 -1.427 0.367 107 HB3 ASP 14 1HB ASP 14 -11.280 -0.005 -0.606 108 H1 WMH 101 1HG AZH 3 -2.357 2.062 4.911 109 H2 WMH 101 2HG AZH 3 -2.891 1.781 3.290 110 H5 WMH 101 HD PRG 11 -0.053 5.082 1.630 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -8.778 0.960 2.405 2 HA2 GLY 1 2HA GLY 1 -7.959 0.552 4.610 3 HA3 GLY 1 1HA GLY 1 -9.077 -0.803 4.716 4 H ARG 2 H ARG 2 -6.627 0.169 2.361 5 HA ARG 2 HA ARG 2 -5.301 -2.424 2.829 6 HB2 ARG 2 2HB ARG 2 -5.574 -1.090 0.155 7 HB3 ARG 2 1HB ARG 2 -4.881 -2.672 0.468 8 HG2 ARG 2 2HG ARG 2 -7.775 -1.898 0.740 9 HG3 ARG 2 1HG ARG 2 -7.061 -2.818 -0.582 10 HD2 ARG 2 2HD ARG 2 -6.528 -4.625 0.899 11 HD3 ARG 2 1HD ARG 2 -7.061 -3.681 2.298 12 HE ARG 2 HE ARG 2 -9.218 -3.641 0.770 13 HH11 ARG 2 1HH1 ARG 2 -7.192 -6.338 1.883 14 HH12 ARG 2 2HH1 ARG 2 -8.438 -7.490 1.771 15 HH21 ARG 2 1HH2 ARG 2 -10.918 -5.206 0.687 16 HH22 ARG 2 2HH2 ARG 2 -10.616 -6.823 1.116 17 H ALA 3 H AZH 3 -3.065 -2.251 2.718 18 HA ALA 3 HA AZH 3 -1.827 0.219 1.867 19 HB1 ALA 3 1HB AZH 3 -0.542 0.047 4.211 20 HB2 ALA 3 2HB AZH 3 -2.093 -0.613 4.713 21 H THR 4 H THR 4 0.134 -0.191 0.991 22 HA THR 4 HA THR 4 0.948 -2.929 1.086 23 HB THR 4 HB THR 4 2.685 -2.216 -0.593 24 HG1 THR 4 1HG THR 4 2.934 -0.194 -1.038 25 HG21 THR 4 1HG2 THR 4 -0.184 -1.544 -1.266 26 HG22 THR 4 2HG2 THR 4 0.543 -3.150 -1.325 27 HG23 THR 4 3HG2 THR 4 1.088 -1.893 -2.436 28 H LYS 5 H LYS 5 2.522 -3.732 2.155 29 HA LYS 5 HA LYS 5 4.012 -2.048 3.998 30 HB2 LYS 5 2HB LYS 5 2.791 -4.101 4.700 31 HB3 LYS 5 1HB LYS 5 3.857 -5.055 3.692 32 HG2 LYS 5 2HG LYS 5 5.760 -4.450 5.089 33 HG3 LYS 5 1HG LYS 5 4.720 -3.421 6.079 34 HD2 LYS 5 2HD LYS 5 4.362 -6.399 5.717 35 HD3 LYS 5 1HD LYS 5 5.150 -5.645 7.101 36 HE2 LYS 5 2HE LYS 5 3.096 -4.518 7.709 37 HE3 LYS 5 1HE LYS 5 2.289 -5.109 6.265 38 HZ1 LYS 5 1HZ LYS 5 1.692 -6.378 8.194 39 HZ2 LYS 5 2HZ LYS 5 3.295 -6.820 8.474 40 HZ3 LYS 5 3HZ LYS 5 2.495 -7.349 7.093 41 H SER 6 H SER 6 4.208 -3.131 0.953 42 HA SER 6 HA SER 6 7.103 -3.249 0.909 43 HB2 SER 6 2HB SER 6 6.720 -4.284 -1.363 44 HB3 SER 6 1HB SER 6 6.149 -5.255 -0.006 45 HG SER 6 HG SER 6 4.696 -3.788 -1.902 46 H ILE 7 H ILE 7 8.147 -2.019 -0.697 47 HA ILE 7 HA ILE 7 6.904 0.495 -1.212 48 HB ILE 7 HB ILE 7 9.011 1.082 -2.403 49 HG12 ILE 7 2HG1 ILE 7 9.881 -1.740 -1.692 50 HG13 ILE 7 1HG1 ILE 7 9.527 -1.165 -3.315 51 HG21 ILE 7 1HG2 ILE 7 8.856 1.470 -0.029 52 HG22 ILE 7 2HG2 ILE 7 10.496 0.951 -0.434 53 HG23 ILE 7 3HG2 ILE 7 9.366 -0.185 0.301 54 HD11 ILE 7 1HD1 ILE 7 11.752 -0.203 -1.533 55 HD12 ILE 7 2HD1 ILE 7 11.408 0.395 -3.153 56 HD13 ILE 7 3HD1 ILE 7 11.919 -1.278 -2.921 57 HA PRO 8 HA PRO 8 6.940 2.157 -2.608 58 HB2 PRO 8 2HB PRO 8 4.931 3.394 -3.943 59 HB3 PRO 8 1HB PRO 8 6.533 3.170 -4.652 60 HG2 PRO 8 2HG PRO 8 4.021 1.633 -5.112 61 HG3 PRO 8 1HG PRO 8 5.273 2.107 -6.271 62 HD2 PRO 8 2HD PRO 8 5.058 -0.398 -5.149 63 HD3 PRO 8 1HD PRO 8 6.566 0.275 -5.792 64 HA PRO 9 HA PRO 9 3.640 1.351 0.347 65 HB2 PRO 9 2HB PRO 9 4.178 4.042 1.412 66 HB3 PRO 9 1HB PRO 9 4.347 2.479 2.215 67 HG2 PRO 9 2HG PRO 9 6.492 3.928 1.503 68 HG3 PRO 9 1HG PRO 9 6.493 2.157 1.428 69 HD2 PRO 9 2HD PRO 9 6.128 4.140 -0.791 70 HD3 PRO 9 1HD PRO 9 7.098 2.649 -0.744 71 H ARG 10 H ARG 10 1.763 1.441 -0.646 72 HA ARG 10 HA ARG 10 0.518 4.048 -1.153 73 HB2 ARG 10 2HB ARG 10 0.278 1.493 -2.733 74 HB3 ARG 10 1HB ARG 10 -0.736 2.905 -2.960 75 HG2 ARG 10 2HG ARG 10 1.236 4.203 -3.609 76 HG3 ARG 10 1HG ARG 10 2.239 2.766 -3.390 77 HD2 ARG 10 2HD ARG 10 1.626 3.120 -5.741 78 HD3 ARG 10 1HD ARG 10 1.003 1.602 -5.102 79 HE ARG 10 HE ARG 10 -1.012 3.412 -4.714 80 HH11 ARG 10 1HH1 ARG 10 0.772 2.323 -7.542 81 HH12 ARG 10 2HH1 ARG 10 -0.569 2.410 -8.599 82 HH21 ARG 10 1HH2 ARG 10 -2.815 3.598 -6.124 83 HH22 ARG 10 2HH2 ARG 10 -2.676 3.179 -7.770 84 H ALA 11 H PRG 11 -1.718 4.099 -0.664 85 HA ALA 11 HA PRG 11 -2.687 1.733 0.698 86 HB1 ALA 11 1HB PRG 11 -3.606 3.012 2.547 87 HB2 ALA 11 2HB PRG 11 -3.028 4.521 1.922 88 H PHE 12 H PHE 12 -4.915 1.628 0.852 89 HA PHE 12 HA PHE 12 -6.233 3.189 -1.238 90 HB2 PHE 12 2HB PHE 12 -6.643 0.221 -0.719 91 HB3 PHE 12 1HB PHE 12 -7.498 1.189 -1.897 92 HD1 PHE 12 1HD PHE 12 -4.431 -0.689 -1.270 93 HD2 PHE 12 2HD PHE 12 -6.290 2.156 -3.840 94 HE1 PHE 12 1HE PHE 12 -2.746 -1.134 -2.969 95 HE2 PHE 12 2HE PHE 12 -4.592 1.701 -5.554 96 HZ PHE 12 HZ PHE 12 -2.812 0.056 -5.119 97 HA PRO 13 HA PRO 13 -9.030 4.495 1.866 98 HB2 PRO 13 2HB PRO 13 -11.197 4.249 -0.146 99 HB3 PRO 13 1HB PRO 13 -10.693 5.645 0.808 100 HG2 PRO 13 2HG PRO 13 -10.071 5.501 -1.765 101 HG3 PRO 13 1HG PRO 13 -8.906 6.130 -0.587 102 HD2 PRO 13 2HD PRO 13 -9.002 3.446 -1.906 103 HD3 PRO 13 1HD PRO 13 -7.612 4.496 -1.557 104 H ASP 14 H ASP 14 -9.842 1.520 0.204 105 HA ASP 14 HA ASP 14 -12.003 0.938 2.026 106 HB2 ASP 14 2HB ASP 14 -12.296 -1.144 0.893 107 HB3 ASP 14 1HB ASP 14 -11.969 0.062 -0.334 108 H1 WMH 101 1HG AZH 3 -2.530 1.705 5.101 109 H2 WMH 101 2HG AZH 3 -3.003 1.456 3.469 110 H5 WMH 101 HD PRG 11 -0.281 4.860 1.892 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -8.551 1.125 2.486 2 HA2 GLY 1 2HA GLY 1 -7.901 1.303 4.794 3 HA3 GLY 1 1HA GLY 1 -9.028 0.009 5.172 4 H ARG 2 H ARG 2 -6.773 0.002 2.498 5 HA ARG 2 HA ARG 2 -5.162 -1.966 3.904 6 HB2 ARG 2 2HB ARG 2 -6.540 -2.306 1.278 7 HB3 ARG 2 1HB ARG 2 -5.026 -3.144 1.590 8 HG2 ARG 2 2HG ARG 2 -5.953 -4.384 3.365 9 HG3 ARG 2 1HG ARG 2 -7.371 -3.341 3.455 10 HD2 ARG 2 2HD ARG 2 -7.747 -5.568 2.383 11 HD3 ARG 2 1HD ARG 2 -8.227 -4.181 1.413 12 HE ARG 2 HE ARG 2 -5.767 -5.753 1.019 13 HH11 ARG 2 1HH1 ARG 2 -8.355 -3.682 -0.236 14 HH12 ARG 2 2HH1 ARG 2 -7.970 -3.959 -1.873 15 HH21 ARG 2 1HH2 ARG 2 -5.236 -6.108 -1.209 16 HH22 ARG 2 2HH2 ARG 2 -6.127 -5.367 -2.462 17 H ALA 3 H AZH 3 -3.073 -1.892 3.556 18 HA ALA 3 HA AZH 3 -2.000 0.078 1.675 19 HB1 ALA 3 1HB AZH 3 -0.247 0.366 3.599 20 HB2 ALA 3 2HB AZH 3 -1.534 -0.255 4.622 21 H THR 4 H THR 4 0.046 -0.467 0.835 22 HA THR 4 HA THR 4 0.653 -3.277 0.987 23 HB THR 4 HB THR 4 2.365 -2.772 -0.738 24 HG1 THR 4 1HG THR 4 3.101 -0.811 -0.524 25 HG21 THR 4 1HG2 THR 4 -0.322 -1.518 -1.331 26 HG22 THR 4 2HG2 THR 4 0.070 -3.231 -1.475 27 HG23 THR 4 3HG2 THR 4 0.845 -2.056 -2.538 28 H LYS 5 H LYS 5 2.490 -4.141 1.887 29 HA LYS 5 HA LYS 5 3.957 -2.399 3.689 30 HB2 LYS 5 2HB LYS 5 4.121 -5.392 3.259 31 HB3 LYS 5 1HB LYS 5 5.074 -4.520 4.442 32 HG2 LYS 5 2HG LYS 5 2.960 -3.791 5.537 33 HG3 LYS 5 1HG LYS 5 2.070 -4.797 4.403 34 HD2 LYS 5 2HD LYS 5 2.317 -5.996 6.479 35 HD3 LYS 5 1HD LYS 5 3.317 -6.773 5.260 36 HE2 LYS 5 2HE LYS 5 4.470 -6.603 7.416 37 HE3 LYS 5 1HE LYS 5 5.312 -5.696 6.169 38 HZ1 LYS 5 1HZ LYS 5 5.148 -4.520 8.313 39 HZ2 LYS 5 2HZ LYS 5 3.475 -4.465 8.185 40 HZ3 LYS 5 3HZ LYS 5 4.445 -3.656 7.075 41 H SER 6 H SER 6 4.101 -3.543 0.577 42 HA SER 6 HA SER 6 6.918 -3.563 0.238 43 HB2 SER 6 2HB SER 6 6.219 -3.692 -2.174 44 HB3 SER 6 1HB SER 6 5.550 -4.957 -1.136 45 HG SER 6 HG SER 6 3.918 -4.180 -2.386 46 H ILE 7 H ILE 7 8.097 -1.939 -0.842 47 HA ILE 7 HA ILE 7 6.877 0.699 -0.777 48 HB ILE 7 HB ILE 7 9.189 1.565 -1.134 49 HG12 ILE 7 2HG1 ILE 7 10.039 -1.331 -0.832 50 HG13 ILE 7 1HG1 ILE 7 10.106 -0.413 -2.331 51 HG21 ILE 7 1HG2 ILE 7 8.865 -0.298 1.211 52 HG22 ILE 7 2HG2 ILE 7 8.333 1.381 1.118 53 HG23 ILE 7 3HG2 ILE 7 10.054 0.999 1.103 54 HD11 ILE 7 1HD1 ILE 7 11.661 0.151 0.182 55 HD12 ILE 7 2HD1 ILE 7 11.744 1.093 -1.306 56 HD13 ILE 7 3HD1 ILE 7 12.291 -0.585 -1.292 57 HA PRO 8 HA PRO 8 7.018 2.700 -1.741 58 HB2 PRO 8 2HB PRO 8 4.988 3.584 -3.626 59 HB3 PRO 8 1HB PRO 8 6.513 4.367 -3.209 60 HG2 PRO 8 2HG PRO 8 6.026 3.240 -5.639 61 HG3 PRO 8 1HG PRO 8 7.642 3.369 -4.936 62 HD2 PRO 8 2HD PRO 8 5.804 1.016 -5.042 63 HD3 PRO 8 1HD PRO 8 7.564 1.082 -5.269 64 HA PRO 9 HA PRO 9 3.383 1.042 0.161 65 HB2 PRO 9 2HB PRO 9 2.843 3.064 1.903 66 HB3 PRO 9 1HB PRO 9 4.135 1.885 2.164 67 HG2 PRO 9 2HG PRO 9 4.299 4.688 1.158 68 HG3 PRO 9 1HG PRO 9 5.414 3.810 2.218 69 HD2 PRO 9 2HD PRO 9 5.854 4.227 -0.450 70 HD3 PRO 9 1HD PRO 9 6.523 2.859 0.459 71 H ARG 10 H ARG 10 1.678 0.956 -1.088 72 HA ARG 10 HA ARG 10 0.309 3.412 -1.894 73 HB2 ARG 10 2HB ARG 10 -0.098 0.543 -2.759 74 HB3 ARG 10 1HB ARG 10 -1.007 1.913 -3.363 75 HG2 ARG 10 2HG ARG 10 1.088 2.838 -4.290 76 HG3 ARG 10 1HG ARG 10 1.930 1.379 -3.755 77 HD2 ARG 10 2HD ARG 10 1.306 1.203 -6.113 78 HD3 ARG 10 1HD ARG 10 0.435 0.015 -5.145 79 HE ARG 10 HE ARG 10 -1.104 2.339 -5.345 80 HH11 ARG 10 1HH1 ARG 10 -0.002 -0.266 -7.494 81 HH12 ARG 10 2HH1 ARG 10 -1.388 -0.213 -8.477 82 HH21 ARG 10 1HH2 ARG 10 -2.964 2.423 -6.723 83 HH22 ARG 10 2HH2 ARG 10 -3.102 1.354 -8.033 84 H ALA 11 H PRG 11 -1.591 3.925 -0.911 85 HA ALA 11 HA PRG 11 -2.738 1.797 0.697 86 HB1 ALA 11 1HB PRG 11 -3.447 3.356 2.390 87 HB2 ALA 11 2HB PRG 11 -2.840 4.734 1.529 88 H PHE 12 H PHE 12 -4.777 1.472 0.603 89 HA PHE 12 HA PHE 12 -6.177 2.943 -1.499 90 HB2 PHE 12 2HB PHE 12 -6.494 0.061 -0.624 91 HB3 PHE 12 1HB PHE 12 -7.410 0.847 -1.903 92 HD1 PHE 12 1HD PHE 12 -6.342 1.419 -4.027 93 HD2 PHE 12 2HD PHE 12 -4.216 -0.635 -0.971 94 HE1 PHE 12 1HE PHE 12 -4.618 0.786 -5.658 95 HE2 PHE 12 2HE PHE 12 -2.488 -1.276 -2.598 96 HZ PHE 12 HZ PHE 12 -2.683 -0.566 -4.943 97 HA PRO 13 HA PRO 13 -8.980 4.456 1.485 98 HB2 PRO 13 2HB PRO 13 -11.251 4.704 0.000 99 HB3 PRO 13 1HB PRO 13 -9.862 5.787 -0.134 100 HG2 PRO 13 2HG PRO 13 -10.590 3.434 -1.836 101 HG3 PRO 13 1HG PRO 13 -10.032 5.043 -2.335 102 HD2 PRO 13 2HD PRO 13 -8.359 2.953 -2.265 103 HD3 PRO 13 1HD PRO 13 -7.827 4.581 -1.802 104 H ASP 14 H ASP 14 -9.418 1.325 0.320 105 HA ASP 14 HA ASP 14 -11.824 0.861 1.839 106 HB2 ASP 14 2HB ASP 14 -11.627 -1.482 1.194 107 HB3 ASP 14 1HB ASP 14 -11.414 -0.464 -0.216 108 H1 WMH 101 1HG AZH 3 -2.294 1.954 4.761 109 H2 WMH 101 2HG AZH 3 -2.764 1.658 3.129 110 H5 WMH 101 HD PRG 11 -0.169 5.128 1.501 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -8.560 0.995 2.464 2 HA2 GLY 1 2HA GLY 1 -7.481 0.911 4.573 3 HA3 GLY 1 1HA GLY 1 -8.458 -0.488 4.987 4 H ARG 2 H ARG 2 -6.636 0.050 2.034 5 HA ARG 2 HA ARG 2 -5.002 -2.278 2.786 6 HB2 ARG 2 2HB ARG 2 -5.709 -1.362 -0.003 7 HB3 ARG 2 1HB ARG 2 -4.699 -2.735 0.405 8 HG2 ARG 2 2HG ARG 2 -6.623 -3.803 1.479 9 HG3 ARG 2 1HG ARG 2 -7.626 -2.432 0.996 10 HD2 ARG 2 2HD ARG 2 -7.023 -2.886 -1.360 11 HD3 ARG 2 1HD ARG 2 -6.147 -4.318 -0.820 12 HE ARG 2 HE ARG 2 -8.979 -3.946 -0.248 13 HH11 ARG 2 1HH1 ARG 2 -6.349 -5.901 -1.635 14 HH12 ARG 2 2HH1 ARG 2 -7.325 -7.200 -2.104 15 HH21 ARG 2 1HH2 ARG 2 -10.383 -5.755 -0.972 16 HH22 ARG 2 2HH2 ARG 2 -9.682 -7.109 -1.734 17 H ALA 3 H AZH 3 -3.155 -1.528 3.457 18 HA ALA 3 HA AZH 3 -1.770 0.485 1.840 19 HB1 ALA 3 1HB AZH 3 -0.397 0.639 4.073 20 HB2 ALA 3 2HB AZH 3 -1.837 -0.071 4.787 21 H THR 4 H THR 4 0.136 -0.096 0.955 22 HA THR 4 HA THR 4 0.736 -2.866 0.977 23 HB THR 4 HB THR 4 2.576 -2.117 -0.619 24 HG1 THR 4 1HG THR 4 2.798 -0.064 -1.027 25 HG21 THR 4 1HG2 THR 4 0.988 -1.639 -2.435 26 HG22 THR 4 2HG2 THR 4 -0.273 -1.316 -1.245 27 HG23 THR 4 3HG2 THR 4 0.396 -2.939 -1.400 28 H LYS 5 H LYS 5 2.296 -3.920 2.004 29 HA LYS 5 HA LYS 5 3.883 -2.492 3.951 30 HB2 LYS 5 2HB LYS 5 4.625 -4.696 4.722 31 HB3 LYS 5 1HB LYS 5 2.880 -4.660 4.590 32 HG2 LYS 5 2HG LYS 5 3.018 -5.900 2.478 33 HG3 LYS 5 1HG LYS 5 4.775 -5.930 2.613 34 HD2 LYS 5 2HD LYS 5 4.515 -7.110 4.795 35 HD3 LYS 5 1HD LYS 5 2.781 -7.193 4.495 36 HE2 LYS 5 2HE LYS 5 3.832 -9.292 3.869 37 HE3 LYS 5 1HE LYS 5 3.218 -8.475 2.434 38 HZ1 LYS 5 1HZ LYS 5 6.060 -8.419 3.326 39 HZ2 LYS 5 2HZ LYS 5 5.442 -7.756 1.899 40 HZ3 LYS 5 3HZ LYS 5 5.446 -9.410 2.117 41 H SER 6 H SER 6 4.236 -3.874 0.824 42 HA SER 6 HA SER 6 7.113 -3.681 0.869 43 HB2 SER 6 2HB SER 6 6.821 -4.454 -1.527 44 HB3 SER 6 1HB SER 6 6.205 -5.570 -0.307 45 HG SER 6 HG SER 6 4.951 -4.578 -2.339 46 H ILE 7 H ILE 7 8.089 -2.424 -1.074 47 HA ILE 7 HA ILE 7 6.859 0.180 -0.965 48 HB ILE 7 HB ILE 7 8.893 1.022 -2.097 49 HG12 ILE 7 2HG1 ILE 7 9.923 -1.813 -1.874 50 HG13 ILE 7 1HG1 ILE 7 9.403 -1.067 -3.383 51 HG21 ILE 7 1HG2 ILE 7 8.810 0.972 0.319 52 HG22 ILE 7 2HG2 ILE 7 10.450 0.641 -0.236 53 HG23 ILE 7 3HG2 ILE 7 9.429 -0.680 0.333 54 HD11 ILE 7 1HD1 ILE 7 11.198 0.584 -3.142 55 HD12 ILE 7 2HD1 ILE 7 11.813 -1.069 -3.183 56 HD13 ILE 7 3HD1 ILE 7 11.704 -0.207 -1.649 57 HA PRO 8 HA PRO 8 6.952 1.996 -1.976 58 HB2 PRO 8 2HB PRO 8 5.059 3.461 -3.541 59 HB3 PRO 8 1HB PRO 8 6.814 3.618 -3.563 60 HG2 PRO 8 2HG PRO 8 5.311 2.669 -5.680 61 HG3 PRO 8 1HG PRO 8 7.028 2.320 -5.422 62 HD2 PRO 8 2HD PRO 8 4.641 0.643 -4.743 63 HD3 PRO 8 1HD PRO 8 6.195 0.153 -5.459 64 HA PRO 9 HA PRO 9 3.277 1.533 0.502 65 HB2 PRO 9 2HB PRO 9 3.295 3.888 1.860 66 HB3 PRO 9 1HB PRO 9 4.372 2.549 2.258 67 HG2 PRO 9 2HG PRO 9 4.925 5.039 0.717 68 HG3 PRO 9 1HG PRO 9 5.970 4.165 1.848 69 HD2 PRO 9 2HD PRO 9 6.214 3.998 -0.866 70 HD3 PRO 9 1HD PRO 9 6.684 2.691 0.238 71 H ARG 10 H ARG 10 1.532 1.567 -0.747 72 HA ARG 10 HA ARG 10 0.331 4.168 -1.367 73 HB2 ARG 10 2HB ARG 10 0.054 1.595 -2.954 74 HB3 ARG 10 1HB ARG 10 -0.746 3.114 -3.319 75 HG2 ARG 10 2HG ARG 10 2.208 2.543 -3.459 76 HG3 ARG 10 1HG ARG 10 1.108 2.821 -4.813 77 HD2 ARG 10 2HD ARG 10 0.725 5.100 -4.061 78 HD3 ARG 10 1HD ARG 10 1.738 4.827 -2.652 79 HE ARG 10 HE ARG 10 2.712 4.770 -5.412 80 HH11 ARG 10 1HH1 ARG 10 3.243 5.472 -1.963 81 HH12 ARG 10 2HH1 ARG 10 4.725 6.266 -2.214 82 HH21 ARG 10 1HH2 ARG 10 4.769 5.900 -5.735 83 HH22 ARG 10 2HH2 ARG 10 5.599 6.541 -4.410 84 H ALA 11 H PRG 11 -1.666 4.418 -0.622 85 HA ALA 11 HA PRG 11 -2.769 2.072 0.697 86 HB1 ALA 11 1HB PRG 11 -3.643 3.448 2.472 87 HB2 ALA 11 2HB PRG 11 -3.088 4.919 1.724 88 H PHE 12 H PHE 12 -4.845 1.739 0.635 89 HA PHE 12 HA PHE 12 -6.308 3.274 -1.393 90 HB2 PHE 12 2HB PHE 12 -6.440 0.288 -0.890 91 HB3 PHE 12 1HB PHE 12 -7.400 1.168 -2.069 92 HD1 PHE 12 1HD PHE 12 -4.260 -0.458 -1.426 93 HD2 PHE 12 2HD PHE 12 -6.232 2.334 -3.966 94 HE1 PHE 12 1HE PHE 12 -2.493 -0.746 -3.108 95 HE2 PHE 12 2HE PHE 12 -4.466 2.049 -5.655 96 HZ PHE 12 HZ PHE 12 -2.594 0.505 -5.227 97 HA PRO 13 HA PRO 13 -9.507 4.483 1.305 98 HB2 PRO 13 2HB PRO 13 -11.298 3.102 -0.631 99 HB3 PRO 13 1HB PRO 13 -11.456 4.706 0.097 100 HG2 PRO 13 2HG PRO 13 -10.553 4.430 -2.380 101 HG3 PRO 13 1HG PRO 13 -9.844 5.629 -1.286 102 HD2 PRO 13 2HD PRO 13 -8.728 3.062 -2.254 103 HD3 PRO 13 1HD PRO 13 -7.900 4.540 -1.739 104 H ASP 14 H ASP 14 -9.977 1.118 0.190 105 HA ASP 14 HA ASP 14 -11.751 0.589 2.384 106 HB2 ASP 14 2HB ASP 14 -11.981 -1.678 1.621 107 HB3 ASP 14 1HB ASP 14 -11.964 -0.641 0.208 108 H1 WMH 101 1HG AZH 3 -2.534 2.189 4.945 109 H2 WMH 101 2HG AZH 3 -2.930 1.827 3.311 110 H5 WMH 101 HD PRG 11 -0.359 5.337 1.678 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -8.675 1.540 2.747 2 HA2 GLY 1 2HA GLY 1 -7.557 0.982 4.709 3 HA3 GLY 1 1HA GLY 1 -8.862 -0.124 5.119 4 H ARG 2 H ARG 2 -6.231 0.294 2.812 5 HA ARG 2 HA ARG 2 -5.447 -2.465 3.192 6 HB2 ARG 2 2HB ARG 2 -7.223 -2.266 1.320 7 HB3 ARG 2 1HB ARG 2 -5.965 -1.442 0.424 8 HG2 ARG 2 2HG ARG 2 -4.535 -3.416 0.575 9 HG3 ARG 2 1HG ARG 2 -5.829 -4.271 1.422 10 HD2 ARG 2 2HD ARG 2 -5.883 -3.190 -1.393 11 HD3 ARG 2 1HD ARG 2 -5.944 -4.881 -0.893 12 HE ARG 2 HE ARG 2 -8.088 -3.408 0.237 13 HH11 ARG 2 1HH1 ARG 2 -7.101 -4.900 -2.817 14 HH12 ARG 2 2HH1 ARG 2 -8.683 -5.076 -3.401 15 HH21 ARG 2 1HH2 ARG 2 -10.185 -3.514 -0.565 16 HH22 ARG 2 2HH2 ARG 2 -10.522 -4.264 -2.076 17 H ALA 3 H AZH 3 -3.303 -2.290 3.394 18 HA ALA 3 HA AZH 3 -1.936 -0.225 1.848 19 HB1 ALA 3 1HB AZH 3 -0.468 -0.170 4.070 20 HB2 ALA 3 2HB AZH 3 -2.006 -0.617 4.789 21 H THR 4 H THR 4 -0.159 -0.886 0.876 22 HA THR 4 HA THR 4 0.676 -3.590 1.356 23 HB THR 4 HB THR 4 2.155 -3.168 -0.644 24 HG1 THR 4 1HG THR 4 2.157 -1.326 -1.629 25 HG21 THR 4 1HG2 THR 4 -0.055 -4.172 -0.944 26 HG22 THR 4 2HG2 THR 4 0.331 -3.100 -2.294 27 HG23 THR 4 3HG2 THR 4 -0.778 -2.566 -1.033 28 H LYS 5 H LYS 5 2.688 -4.120 2.102 29 HA LYS 5 HA LYS 5 3.939 -2.015 3.629 30 HB2 LYS 5 2HB LYS 5 5.273 -3.815 4.654 31 HB3 LYS 5 1HB LYS 5 3.550 -4.092 4.797 32 HG2 LYS 5 2HG LYS 5 3.672 -5.711 2.950 33 HG3 LYS 5 1HG LYS 5 5.407 -5.428 2.837 34 HD2 LYS 5 2HD LYS 5 5.720 -6.238 5.100 35 HD3 LYS 5 1HD LYS 5 3.978 -6.437 5.291 36 HE2 LYS 5 2HE LYS 5 3.965 -8.113 3.532 37 HE3 LYS 5 1HE LYS 5 5.696 -7.898 3.289 38 HZ1 LYS 5 1HZ LYS 5 6.086 -8.696 5.515 39 HZ2 LYS 5 2HZ LYS 5 5.169 -9.830 4.667 40 HZ3 LYS 5 3HZ LYS 5 4.436 -8.843 5.805 41 H SER 6 H SER 6 4.344 -3.613 0.672 42 HA SER 6 HA SER 6 7.134 -3.248 0.383 43 HB2 SER 6 2HB SER 6 6.567 -3.657 -2.041 44 HB3 SER 6 1HB SER 6 6.034 -4.921 -0.929 45 HG SER 6 HG SER 6 4.352 -2.780 -1.675 46 H ILE 7 H ILE 7 8.209 -1.543 -0.478 47 HA ILE 7 HA ILE 7 6.739 0.966 -0.667 48 HB ILE 7 HB ILE 7 9.725 0.398 -0.424 49 HG12 ILE 7 2HG1 ILE 7 7.739 1.354 1.651 50 HG13 ILE 7 1HG1 ILE 7 8.438 -0.256 1.568 51 HG21 ILE 7 1HG2 ILE 7 9.992 2.767 0.068 52 HG22 ILE 7 2HG2 ILE 7 8.268 3.028 -0.157 53 HG23 ILE 7 3HG2 ILE 7 9.271 2.551 -1.532 54 HD11 ILE 7 1HD1 ILE 7 9.505 1.103 3.277 55 HD12 ILE 7 2HD1 ILE 7 9.948 2.302 2.060 56 HD13 ILE 7 3HD1 ILE 7 10.647 0.683 1.997 57 HA PRO 8 HA PRO 8 6.871 3.073 -1.696 58 HB2 PRO 8 2HB PRO 8 5.160 3.501 -4.056 59 HB3 PRO 8 1HB PRO 8 6.286 4.620 -3.288 60 HG2 PRO 8 2HG PRO 8 6.821 3.546 -5.677 61 HG3 PRO 8 1HG PRO 8 8.101 3.822 -4.483 62 HD2 PRO 8 2HD PRO 8 6.666 1.273 -5.154 63 HD3 PRO 8 1HD PRO 8 8.404 1.559 -4.915 64 HA PRO 9 HA PRO 9 3.405 0.634 -0.411 65 HB2 PRO 9 2HB PRO 9 2.548 2.223 1.604 66 HB3 PRO 9 1HB PRO 9 4.008 1.233 1.733 67 HG2 PRO 9 2HG PRO 9 3.745 4.150 1.129 68 HG3 PRO 9 1HG PRO 9 4.908 3.330 2.184 69 HD2 PRO 9 2HD PRO 9 5.506 4.142 -0.330 70 HD3 PRO 9 1HD PRO 9 6.261 2.737 0.452 71 H ARG 10 H ARG 10 1.353 0.519 -1.043 72 HA ARG 10 HA ARG 10 0.089 2.953 -2.076 73 HB2 ARG 10 2HB ARG 10 0.588 1.195 -3.762 74 HB3 ARG 10 1HB ARG 10 -0.372 0.060 -2.830 75 HG2 ARG 10 2HG ARG 10 -2.361 1.470 -3.211 76 HG3 ARG 10 1HG ARG 10 -1.379 2.544 -4.211 77 HD2 ARG 10 2HD ARG 10 -0.856 0.618 -5.686 78 HD3 ARG 10 1HD ARG 10 -1.922 -0.374 -4.699 79 HE ARG 10 HE ARG 10 -3.216 1.964 -5.699 80 HH11 ARG 10 1HH1 ARG 10 -2.298 -1.365 -6.540 81 HH12 ARG 10 2HH1 ARG 10 -3.518 -1.544 -7.712 82 HH21 ARG 10 1HH2 ARG 10 -4.857 1.718 -7.307 83 HH22 ARG 10 2HH2 ARG 10 -5.000 0.264 -8.187 84 H ALA 11 H PRG 11 -1.549 3.617 -0.816 85 HA ALA 11 HA PRG 11 -2.833 1.553 0.761 86 HB1 ALA 11 1HB PRG 11 -3.321 3.164 2.499 87 HB2 ALA 11 2HB PRG 11 -2.562 4.458 1.602 88 H PHE 12 H PHE 12 -4.763 1.272 0.585 89 HA PHE 12 HA PHE 12 -6.200 2.716 -1.487 90 HB2 PHE 12 2HB PHE 12 -6.872 0.163 -0.024 91 HB3 PHE 12 1HB PHE 12 -7.822 0.852 -1.317 92 HD1 PHE 12 1HD PHE 12 -7.439 0.243 -3.499 93 HD2 PHE 12 2HD PHE 12 -4.371 -0.458 -0.637 94 HE1 PHE 12 1HE PHE 12 -6.166 -1.016 -5.171 95 HE2 PHE 12 2HE PHE 12 -3.095 -1.717 -2.307 96 HZ PHE 12 HZ PHE 12 -3.994 -1.998 -4.580 97 HA PRO 13 HA PRO 13 -8.774 4.897 1.405 98 HB2 PRO 13 2HB PRO 13 -11.068 4.541 -0.386 99 HB3 PRO 13 1HB PRO 13 -10.238 6.023 0.082 100 HG2 PRO 13 2HG PRO 13 -10.029 4.996 -2.401 101 HG3 PRO 13 1HG PRO 13 -8.697 5.864 -1.622 102 HD2 PRO 13 2HD PRO 13 -9.088 2.928 -1.994 103 HD3 PRO 13 1HD PRO 13 -7.613 3.909 -2.102 104 H ASP 14 H ASP 14 -9.528 1.683 0.478 105 HA ASP 14 HA ASP 14 -11.778 1.531 2.344 106 HB2 ASP 14 2HB ASP 14 -12.184 -0.708 1.468 107 HB3 ASP 14 1HB ASP 14 -12.121 0.465 0.163 108 H1 WMH 101 1HG AZH 3 -2.319 1.720 4.829 109 H2 WMH 101 2HG AZH 3 -2.819 1.332 3.225 110 H5 WMH 101 HD PRG 11 0.134 4.447 1.419 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -8.357 1.234 2.631 2 HA2 GLY 1 2HA GLY 1 -7.309 0.941 4.768 3 HA3 GLY 1 1HA GLY 1 -8.265 -0.523 4.973 4 H ARG 2 H ARG 2 -7.387 -0.676 1.869 5 HA ARG 2 HA ARG 2 -5.390 -2.625 2.339 6 HB2 ARG 2 2HB ARG 2 -6.925 -2.754 0.416 7 HB3 ARG 2 1HB ARG 2 -6.223 -1.296 -0.243 8 HG2 ARG 2 2HG ARG 2 -4.121 -2.404 -0.616 9 HG3 ARG 2 1HG ARG 2 -4.714 -3.861 0.186 10 HD2 ARG 2 2HD ARG 2 -6.400 -4.153 -1.526 11 HD3 ARG 2 1HD ARG 2 -5.894 -2.657 -2.314 12 HE ARG 2 HE ARG 2 -3.702 -3.798 -2.617 13 HH11 ARG 2 1HH1 ARG 2 -6.675 -5.716 -2.390 14 HH12 ARG 2 2HH1 ARG 2 -6.095 -6.980 -3.359 15 HH21 ARG 2 1HH2 ARG 2 -2.921 -5.563 -3.982 16 HH22 ARG 2 2HH2 ARG 2 -3.947 -6.879 -4.304 17 H ALA 3 H AZH 3 -3.327 -2.357 2.670 18 HA ALA 3 HA AZH 3 -1.900 -0.088 1.563 19 HB1 ALA 3 1HB AZH 3 -0.691 -0.217 3.959 20 HB2 ALA 3 2HB AZH 3 -2.314 -0.681 4.444 21 H THR 4 H THR 4 0.099 -0.567 0.904 22 HA THR 4 HA THR 4 0.807 -3.315 0.765 23 HB THR 4 HB THR 4 2.815 -2.397 -0.441 24 HG1 THR 4 1HG THR 4 3.231 -0.427 0.002 25 HG21 THR 4 1HG2 THR 4 0.111 -1.428 -1.356 26 HG22 THR 4 2HG2 THR 4 0.804 -3.021 -1.659 27 HG23 THR 4 3HG2 THR 4 1.536 -1.589 -2.380 28 H LYS 5 H LYS 5 2.547 -4.320 1.731 29 HA LYS 5 HA LYS 5 3.496 -3.109 4.170 30 HB2 LYS 5 2HB LYS 5 4.616 -5.257 4.591 31 HB3 LYS 5 1HB LYS 5 2.936 -5.524 4.160 32 HG2 LYS 5 2HG LYS 5 3.614 -6.130 1.891 33 HG3 LYS 5 1HG LYS 5 5.299 -5.845 2.320 34 HD2 LYS 5 2HD LYS 5 5.121 -7.625 4.030 35 HD3 LYS 5 1HD LYS 5 3.465 -7.924 3.508 36 HE2 LYS 5 2HE LYS 5 4.260 -8.463 1.263 37 HE3 LYS 5 1HE LYS 5 5.915 -8.141 1.774 38 HZ1 LYS 5 1HZ LYS 5 5.426 -10.485 1.753 39 HZ2 LYS 5 2HZ LYS 5 4.160 -10.278 2.837 40 HZ3 LYS 5 3HZ LYS 5 5.740 -9.991 3.332 41 H SER 6 H SER 6 4.498 -3.558 0.949 42 HA SER 6 HA SER 6 7.228 -2.825 1.581 43 HB2 SER 6 2HB SER 6 7.617 -3.678 -0.789 44 HB3 SER 6 1HB SER 6 7.148 -4.882 0.411 45 HG SER 6 HG SER 6 5.831 -4.019 -1.820 46 H ILE 7 H ILE 7 8.250 -1.409 -0.089 47 HA ILE 7 HA ILE 7 6.476 0.796 -0.739 48 HB ILE 7 HB ILE 7 8.556 2.065 -1.224 49 HG12 ILE 7 2HG1 ILE 7 9.996 -0.464 -0.359 50 HG13 ILE 7 1HG1 ILE 7 9.955 0.176 -1.995 51 HG21 ILE 7 1HG2 ILE 7 9.394 2.169 1.068 52 HG22 ILE 7 2HG2 ILE 7 8.549 0.666 1.436 53 HG23 ILE 7 3HG2 ILE 7 7.632 2.113 1.011 54 HD11 ILE 7 1HD1 ILE 7 11.163 2.168 -1.239 55 HD12 ILE 7 2HD1 ILE 7 12.061 0.686 -0.902 56 HD13 ILE 7 3HD1 ILE 7 11.201 1.512 0.397 57 HA PRO 8 HA PRO 8 6.927 2.737 -2.289 58 HB2 PRO 8 2HB PRO 8 5.041 3.517 -4.082 59 HB3 PRO 8 1HB PRO 8 6.769 3.566 -4.437 60 HG2 PRO 8 2HG PRO 8 4.743 1.500 -5.183 61 HG3 PRO 8 1HG PRO 8 6.017 2.222 -6.183 62 HD2 PRO 8 2HD PRO 8 6.294 -0.213 -5.058 63 HD3 PRO 8 1HD PRO 8 7.669 0.893 -5.264 64 HA PRO 9 HA PRO 9 3.356 1.679 0.180 65 HB2 PRO 9 2HB PRO 9 3.039 4.582 0.595 66 HB3 PRO 9 1HB PRO 9 3.324 3.297 1.776 67 HG2 PRO 9 2HG PRO 9 5.239 5.056 1.142 68 HG3 PRO 9 1HG PRO 9 5.610 3.358 1.498 69 HD2 PRO 9 2HD PRO 9 5.428 4.741 -1.149 70 HD3 PRO 9 1HD PRO 9 6.581 3.517 -0.565 71 H ARG 10 H ARG 10 1.614 1.104 -0.906 72 HA ARG 10 HA ARG 10 0.154 3.211 -2.291 73 HB2 ARG 10 2HB ARG 10 0.992 1.436 -3.831 74 HB3 ARG 10 1HB ARG 10 0.090 0.245 -2.910 75 HG2 ARG 10 2HG ARG 10 -1.106 0.848 -4.935 76 HG3 ARG 10 1HG ARG 10 -2.003 1.359 -3.505 77 HD2 ARG 10 2HD ARG 10 -1.028 3.637 -3.780 78 HD3 ARG 10 1HD ARG 10 -0.294 3.096 -5.284 79 HE ARG 10 HE ARG 10 -2.602 2.684 -6.061 80 HH11 ARG 10 1HH1 ARG 10 -2.040 5.015 -3.428 81 HH12 ARG 10 2HH1 ARG 10 -3.399 5.954 -3.809 82 HH21 ARG 10 1HH2 ARG 10 -4.431 4.029 -6.568 83 HH22 ARG 10 2HH2 ARG 10 -4.789 5.407 -5.636 84 H ALA 11 H PRG 11 -1.543 3.821 -1.074 85 HA ALA 11 HA PRG 11 -2.876 1.674 0.351 86 HB1 ALA 11 1HB PRG 11 -3.403 3.112 2.203 87 HB2 ALA 11 2HB PRG 11 -2.626 4.493 1.496 88 H PHE 12 H PHE 12 -4.972 1.710 0.566 89 HA PHE 12 HA PHE 12 -6.456 3.453 -1.275 90 HB2 PHE 12 2HB PHE 12 -6.875 0.522 -0.662 91 HB3 PHE 12 1HB PHE 12 -7.964 1.496 -1.628 92 HD1 PHE 12 1HD PHE 12 -4.761 -0.235 -1.538 93 HD2 PHE 12 2HD PHE 12 -7.326 2.254 -3.847 94 HE1 PHE 12 1HE PHE 12 -3.450 -0.757 -3.548 95 HE2 PHE 12 2HE PHE 12 -6.020 1.737 -5.857 96 HZ PHE 12 HZ PHE 12 -4.083 0.227 -5.707 97 HA PRO 13 HA PRO 13 -8.956 4.703 2.100 98 HB2 PRO 13 2HB PRO 13 -11.429 4.859 0.986 99 HB3 PRO 13 1HB PRO 13 -10.144 6.034 0.678 100 HG2 PRO 13 2HG PRO 13 -10.992 3.678 -0.968 101 HG3 PRO 13 1HG PRO 13 -10.623 5.330 -1.498 102 HD2 PRO 13 2HD PRO 13 -8.840 3.360 -1.767 103 HD3 PRO 13 1HD PRO 13 -8.326 5.001 -1.332 104 H ASP 14 H ASP 14 -9.548 1.644 0.693 105 HA ASP 14 HA ASP 14 -11.666 0.971 2.568 106 HB2 ASP 14 2HB ASP 14 -11.762 -1.181 1.550 107 HB3 ASP 14 1HB ASP 14 -11.533 -0.029 0.237 108 H1 WMH 101 1HG AZH 3 -2.425 1.677 4.692 109 H2 WMH 101 2HG AZH 3 -3.020 1.394 3.082 110 H5 WMH 101 HD PRG 11 0.140 4.351 1.265 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -8.388 0.994 2.476 2 HA2 GLY 1 2HA GLY 1 -7.682 0.926 4.928 3 HA3 GLY 1 1HA GLY 1 -8.477 -0.636 4.914 4 H ARG 2 H ARG 2 -7.495 -0.910 2.034 5 HA ARG 2 HA ARG 2 -5.257 -2.479 2.619 6 HB2 ARG 2 2HB ARG 2 -6.215 -1.404 -0.017 7 HB3 ARG 2 1HB ARG 2 -4.867 -2.517 0.144 8 HG2 ARG 2 2HG ARG 2 -7.678 -3.045 1.038 9 HG3 ARG 2 1HG ARG 2 -6.965 -3.623 -0.466 10 HD2 ARG 2 2HD ARG 2 -5.264 -4.834 0.846 11 HD3 ARG 2 1HD ARG 2 -6.055 -4.300 2.328 12 HE ARG 2 HE ARG 2 -7.940 -5.503 0.702 13 HH11 ARG 2 1HH1 ARG 2 -5.083 -6.411 2.610 14 HH12 ARG 2 2HH1 ARG 2 -5.657 -7.985 2.938 15 HH21 ARG 2 1HH2 ARG 2 -8.656 -7.709 1.118 16 HH22 ARG 2 2HH2 ARG 2 -7.679 -8.729 2.068 17 H ALA 3 H AZH 3 -3.244 -2.125 2.823 18 HA ALA 3 HA AZH 3 -1.885 0.068 1.511 19 HB1 ALA 3 1HB AZH 3 -0.589 0.168 3.865 20 HB2 ALA 3 2HB AZH 3 -2.158 -0.329 4.476 21 H THR 4 H THR 4 0.046 -0.670 0.727 22 HA THR 4 HA THR 4 0.633 -3.439 1.279 23 HB THR 4 HB THR 4 2.323 -3.147 -0.590 24 HG1 THR 4 1HG THR 4 2.547 -1.311 -1.525 25 HG21 THR 4 1HG2 THR 4 0.634 -3.073 -2.376 26 HG22 THR 4 2HG2 THR 4 -0.548 -2.442 -1.228 27 HG23 THR 4 3HG2 THR 4 0.094 -4.072 -1.025 28 H LYS 5 H LYS 5 2.664 -4.165 1.976 29 HA LYS 5 HA LYS 5 3.886 -2.263 3.761 30 HB2 LYS 5 2HB LYS 5 5.046 -4.140 4.783 31 HB3 LYS 5 1HB LYS 5 3.329 -4.463 4.667 32 HG2 LYS 5 2HG LYS 5 3.759 -5.893 2.702 33 HG3 LYS 5 1HG LYS 5 5.487 -5.594 2.895 34 HD2 LYS 5 2HD LYS 5 3.687 -6.894 4.947 35 HD3 LYS 5 1HD LYS 5 4.777 -7.756 3.874 36 HE2 LYS 5 2HE LYS 5 5.586 -5.752 5.998 37 HE3 LYS 5 1HE LYS 5 5.718 -7.495 6.124 38 HZ1 LYS 5 1HZ LYS 5 7.179 -5.826 4.137 39 HZ2 LYS 5 2HZ LYS 5 7.341 -7.494 4.332 40 HZ3 LYS 5 3HZ LYS 5 7.827 -6.454 5.545 41 H SER 6 H SER 6 4.598 -3.734 0.732 42 HA SER 6 HA SER 6 7.388 -3.189 0.818 43 HB2 SER 6 2HB SER 6 6.973 -3.687 -1.722 44 HB3 SER 6 1HB SER 6 6.844 -4.994 -0.545 45 HG SER 6 HG SER 6 4.989 -4.101 -2.218 46 H ILE 7 H ILE 7 8.434 -1.482 -0.242 47 HA ILE 7 HA ILE 7 6.802 0.883 -0.566 48 HB ILE 7 HB ILE 7 8.958 2.101 -0.865 49 HG12 ILE 7 2HG1 ILE 7 10.214 -0.612 -0.338 50 HG13 ILE 7 1HG1 ILE 7 10.294 0.284 -1.847 51 HG21 ILE 7 1HG2 ILE 7 7.974 1.927 1.337 52 HG22 ILE 7 2HG2 ILE 7 9.732 1.843 1.452 53 HG23 ILE 7 3HG2 ILE 7 8.769 0.374 1.588 54 HD11 ILE 7 1HD1 ILE 7 11.497 1.118 0.784 55 HD12 ILE 7 2HD1 ILE 7 11.576 2.044 -0.713 56 HD13 ILE 7 3HD1 ILE 7 12.370 0.472 -0.607 57 HA PRO 8 HA PRO 8 6.790 2.870 -1.569 58 HB2 PRO 8 2HB PRO 8 4.888 3.491 -3.705 59 HB3 PRO 8 1HB PRO 8 6.232 4.467 -3.115 60 HG2 PRO 8 2HG PRO 8 6.256 3.324 -5.550 61 HG3 PRO 8 1HG PRO 8 7.730 3.538 -4.587 62 HD2 PRO 8 2HD PRO 8 6.036 1.081 -4.923 63 HD3 PRO 8 1HD PRO 8 7.806 1.239 -4.989 64 HA PRO 9 HA PRO 9 3.217 0.580 -0.076 65 HB2 PRO 9 2HB PRO 9 2.720 2.942 1.617 66 HB3 PRO 9 1HB PRO 9 3.051 1.277 2.104 67 HG2 PRO 9 2HG PRO 9 4.875 3.201 2.450 68 HG3 PRO 9 1HG PRO 9 5.345 1.556 1.982 69 HD2 PRO 9 2HD PRO 9 5.056 3.995 0.275 70 HD3 PRO 9 1HD PRO 9 6.352 2.773 0.295 71 H ARG 10 H ARG 10 1.441 0.496 -1.190 72 HA ARG 10 HA ARG 10 0.198 2.941 -2.203 73 HB2 ARG 10 2HB ARG 10 -0.363 0.053 -2.913 74 HB3 ARG 10 1HB ARG 10 -1.006 1.471 -3.725 75 HG2 ARG 10 2HG ARG 10 1.877 0.610 -3.665 76 HG3 ARG 10 1HG ARG 10 0.767 0.448 -5.024 77 HD2 ARG 10 2HD ARG 10 0.577 2.873 -5.175 78 HD3 ARG 10 1HD ARG 10 1.629 3.054 -3.769 79 HE ARG 10 HE ARG 10 2.977 1.509 -5.588 80 HH11 ARG 10 1HH1 ARG 10 1.782 4.832 -5.462 81 HH12 ARG 10 2HH1 ARG 10 2.983 5.439 -6.507 82 HH21 ARG 10 1HH2 ARG 10 4.581 2.323 -6.974 83 HH22 ARG 10 2HH2 ARG 10 4.619 3.981 -7.401 84 H ALA 11 H PRG 11 -1.712 3.568 -1.352 85 HA ALA 11 HA PRG 11 -2.992 1.622 0.378 86 HB1 ALA 11 1HB PRG 11 -3.547 3.250 2.043 87 HB2 ALA 11 2HB PRG 11 -2.868 4.570 1.146 88 H PHE 12 H PHE 12 -5.068 1.656 0.517 89 HA PHE 12 HA PHE 12 -6.507 3.200 -1.508 90 HB2 PHE 12 2HB PHE 12 -7.002 0.316 -0.655 91 HB3 PHE 12 1HB PHE 12 -7.872 1.196 -1.896 92 HD1 PHE 12 1HD PHE 12 -7.040 1.373 -4.108 93 HD2 PHE 12 2HD PHE 12 -4.605 -0.359 -1.087 94 HE1 PHE 12 1HE PHE 12 -5.480 0.580 -5.830 95 HE2 PHE 12 2HE PHE 12 -3.035 -1.160 -2.797 96 HZ PHE 12 HZ PHE 12 -3.467 -0.690 -5.180 97 HA PRO 13 HA PRO 13 -8.771 4.792 1.998 98 HB2 PRO 13 2HB PRO 13 -11.133 4.557 0.191 99 HB3 PRO 13 1HB PRO 13 -10.589 5.935 1.158 100 HG2 PRO 13 2HG PRO 13 -10.102 5.956 -1.415 101 HG3 PRO 13 1HG PRO 13 -8.809 6.405 -0.289 102 HD2 PRO 13 2HD PRO 13 -9.219 3.822 -1.748 103 HD3 PRO 13 1HD PRO 13 -7.728 4.760 -1.507 104 H ASP 14 H ASP 14 -9.846 1.818 0.540 105 HA ASP 14 HA ASP 14 -11.845 1.181 2.483 106 HB2 ASP 14 2HB ASP 14 -11.789 -1.088 1.656 107 HB3 ASP 14 1HB ASP 14 -11.675 -0.002 0.279 108 H1 WMH 101 1HG AZH 3 -2.429 2.037 4.580 109 H2 WMH 101 2HG AZH 3 -2.999 1.631 3.003 110 H5 WMH 101 HD PRG 11 -0.184 4.746 0.987 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -8.435 0.889 2.475 2 HA2 GLY 1 2HA GLY 1 -7.656 0.441 4.778 3 HA3 GLY 1 1HA GLY 1 -8.446 -1.123 4.624 4 H ARG 2 H ARG 2 -7.412 -0.862 1.640 5 HA ARG 2 HA ARG 2 -5.217 -2.553 2.032 6 HB2 ARG 2 2HB ARG 2 -6.280 -1.154 -0.392 7 HB3 ARG 2 1HB ARG 2 -4.746 -2.003 -0.458 8 HG2 ARG 2 2HG ARG 2 -7.332 -3.280 0.395 9 HG3 ARG 2 1HG ARG 2 -6.741 -3.282 -1.262 10 HD2 ARG 2 2HD ARG 2 -6.146 -5.384 -0.187 11 HD3 ARG 2 1HD ARG 2 -4.696 -4.450 -0.525 12 HE ARG 2 HE ARG 2 -5.936 -4.497 2.144 13 HH11 ARG 2 1HH1 ARG 2 -3.047 -4.938 0.110 14 HH12 ARG 2 2HH1 ARG 2 -1.987 -5.214 1.381 15 HH21 ARG 2 1HH2 ARG 2 -4.489 -4.869 3.919 16 HH22 ARG 2 2HH2 ARG 2 -2.831 -5.170 3.657 17 H ALA 3 H AZH 3 -3.254 -2.245 2.411 18 HA ALA 3 HA AZH 3 -1.861 0.114 1.571 19 HB1 ALA 3 1HB AZH 3 -0.767 -0.114 4.021 20 HB2 ALA 3 2HB AZH 3 -2.404 -0.621 4.408 21 H THR 4 H THR 4 0.079 -0.417 0.850 22 HA THR 4 HA THR 4 0.879 -3.162 1.092 23 HB THR 4 HB THR 4 2.742 -2.405 -0.441 24 HG1 THR 4 1HG THR 4 2.850 -0.357 -1.047 25 HG21 THR 4 1HG2 THR 4 -0.071 -1.831 -1.366 26 HG22 THR 4 2HG2 THR 4 0.685 -3.422 -1.324 27 HG23 THR 4 3HG2 THR 4 1.300 -2.180 -2.417 28 H LYS 5 H LYS 5 2.596 -3.830 2.236 29 HA LYS 5 HA LYS 5 3.850 -1.836 3.965 30 HB2 LYS 5 2HB LYS 5 3.755 -4.848 4.190 31 HB3 LYS 5 1HB LYS 5 4.517 -3.766 5.353 32 HG2 LYS 5 2HG LYS 5 2.383 -2.746 5.863 33 HG3 LYS 5 1HG LYS 5 1.590 -3.718 4.632 34 HD2 LYS 5 2HD LYS 5 1.075 -4.781 6.658 35 HD3 LYS 5 1HD LYS 5 2.371 -5.746 5.973 36 HE2 LYS 5 2HE LYS 5 2.671 -3.652 8.124 37 HE3 LYS 5 1HE LYS 5 2.607 -5.383 8.397 38 HZ1 LYS 5 1HZ LYS 5 4.849 -4.711 8.475 39 HZ2 LYS 5 2HZ LYS 5 4.783 -3.842 7.067 40 HZ3 LYS 5 3HZ LYS 5 4.700 -5.534 7.017 41 H SER 6 H SER 6 4.365 -2.838 1.113 42 HA SER 6 HA SER 6 7.258 -3.114 1.352 43 HB2 SER 6 2HB SER 6 7.007 -4.173 -0.947 44 HB3 SER 6 1HB SER 6 6.372 -5.120 0.404 45 HG SER 6 HG SER 6 5.072 -4.007 -1.727 46 H ILE 7 H ILE 7 8.232 -2.253 -0.866 47 HA ILE 7 HA ILE 7 7.241 0.431 -1.098 48 HB ILE 7 HB ILE 7 9.237 0.850 -2.537 49 HG12 ILE 7 2HG1 ILE 7 9.918 -2.049 -1.922 50 HG13 ILE 7 1HG1 ILE 7 9.471 -1.420 -3.500 51 HG21 ILE 7 1HG2 ILE 7 9.774 -0.459 0.120 52 HG22 ILE 7 2HG2 ILE 7 9.367 1.237 -0.158 53 HG23 ILE 7 3HG2 ILE 7 10.900 0.586 -0.740 54 HD11 ILE 7 1HD1 ILE 7 11.491 -0.040 -3.505 55 HD12 ILE 7 2HD1 ILE 7 11.863 -1.755 -3.338 56 HD13 ILE 7 3HD1 ILE 7 11.936 -0.694 -1.930 57 HA PRO 8 HA PRO 8 6.916 2.028 -2.155 58 HB2 PRO 8 2HB PRO 8 4.878 3.335 -3.591 59 HB3 PRO 8 1HB PRO 8 6.608 3.439 -3.916 60 HG2 PRO 8 2HG PRO 8 4.659 2.267 -5.585 61 HG3 PRO 8 1HG PRO 8 6.413 2.131 -5.759 62 HD2 PRO 8 2HD PRO 8 4.471 0.223 -4.553 63 HD3 PRO 8 1HD PRO 8 5.977 -0.103 -5.435 64 HA PRO 9 HA PRO 9 3.346 1.577 0.569 65 HB2 PRO 9 2HB PRO 9 3.465 4.482 1.092 66 HB3 PRO 9 1HB PRO 9 3.678 3.144 2.223 67 HG2 PRO 9 2HG PRO 9 5.747 4.665 1.448 68 HG3 PRO 9 1HG PRO 9 5.928 2.929 1.751 69 HD2 PRO 9 2HD PRO 9 5.690 4.382 -0.859 70 HD3 PRO 9 1HD PRO 9 6.751 3.029 -0.406 71 H ARG 10 H ARG 10 1.670 1.215 -0.750 72 HA ARG 10 HA ARG 10 0.313 3.489 -2.015 73 HB2 ARG 10 2HB ARG 10 1.235 1.865 -3.602 74 HB3 ARG 10 1HB ARG 10 0.431 0.559 -2.755 75 HG2 ARG 10 2HG ARG 10 -1.740 1.500 -3.384 76 HG3 ARG 10 1HG ARG 10 -0.909 2.792 -4.257 77 HD2 ARG 10 2HD ARG 10 -1.610 1.005 -5.774 78 HD3 ARG 10 1HD ARG 10 0.144 1.152 -5.713 79 HE ARG 10 HE ARG 10 -0.877 -0.797 -3.879 80 HH11 ARG 10 1HH1 ARG 10 -0.064 -0.327 -7.293 81 HH12 ARG 10 2HH1 ARG 10 0.347 -1.961 -7.550 82 HH21 ARG 10 1HH2 ARG 10 -0.312 -3.057 -4.266 83 HH22 ARG 10 2HH2 ARG 10 0.237 -3.512 -5.812 84 H ALA 11 H PRG 11 -1.499 3.986 -0.907 85 HA ALA 11 HA PRG 11 -2.860 1.771 0.409 86 HB1 ALA 11 1HB PRG 11 -3.482 3.170 2.261 87 HB2 ALA 11 2HB PRG 11 -2.708 4.571 1.592 88 H PHE 12 H PHE 12 -5.028 1.904 0.645 89 HA PHE 12 HA PHE 12 -6.458 3.769 -1.106 90 HB2 PHE 12 2HB PHE 12 -6.882 0.774 -0.869 91 HB3 PHE 12 1HB PHE 12 -7.908 1.860 -1.784 92 HD1 PHE 12 1HD PHE 12 -7.158 2.785 -3.902 93 HD2 PHE 12 2HD PHE 12 -4.703 0.111 -1.686 94 HE1 PHE 12 1HE PHE 12 -5.757 2.418 -5.891 95 HE2 PHE 12 2HE PHE 12 -3.305 -0.250 -3.658 96 HZ PHE 12 HZ PHE 12 -3.831 0.902 -5.775 97 HA PRO 13 HA PRO 13 -8.980 4.484 2.428 98 HB2 PRO 13 2HB PRO 13 -11.448 4.863 1.355 99 HB3 PRO 13 1HB PRO 13 -10.133 6.036 1.209 100 HG2 PRO 13 2HG PRO 13 -11.028 3.950 -0.750 101 HG3 PRO 13 1HG PRO 13 -10.645 5.658 -1.041 102 HD2 PRO 13 2HD PRO 13 -8.877 3.733 -1.601 103 HD3 PRO 13 1HD PRO 13 -8.353 5.289 -0.929 104 H ASP 14 H ASP 14 -9.526 1.640 0.639 105 HA ASP 14 HA ASP 14 -11.770 0.723 2.237 106 HB2 ASP 14 2HB ASP 14 -11.753 -1.261 0.920 107 HB3 ASP 14 1HB ASP 14 -11.344 0.028 -0.198 108 H1 WMH 101 1HG AZH 3 -2.524 1.730 4.781 109 H2 WMH 101 2HG AZH 3 -3.097 1.501 3.157 110 H5 WMH 101 HD PRG 11 0.075 4.489 1.438 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -8.648 0.918 2.643 2 HA2 GLY 1 2HA GLY 1 -8.093 -0.090 4.841 3 HA3 GLY 1 1HA GLY 1 -9.116 -1.426 4.370 4 H ARG 2 H ARG 2 -6.748 0.095 2.241 5 HA ARG 2 HA ARG 2 -5.217 -2.402 2.423 6 HB2 ARG 2 2HB ARG 2 -5.864 -0.855 -0.073 7 HB3 ARG 2 1HB ARG 2 -4.766 -2.220 0.003 8 HG2 ARG 2 2HG ARG 2 -6.562 -3.707 0.563 9 HG3 ARG 2 1HG ARG 2 -7.689 -2.356 0.693 10 HD2 ARG 2 2HD ARG 2 -7.966 -3.481 -1.448 11 HD3 ARG 2 1HD ARG 2 -7.347 -1.846 -1.664 12 HE ARG 2 HE ARG 2 -5.334 -3.906 -1.570 13 HH11 ARG 2 1HH1 ARG 2 -7.430 -1.981 -3.641 14 HH12 ARG 2 2HH1 ARG 2 -6.536 -2.273 -5.060 15 HH21 ARG 2 1HH2 ARG 2 -4.123 -4.316 -3.506 16 HH22 ARG 2 2HH2 ARG 2 -4.611 -3.651 -4.996 17 H ALA 3 H AZH 3 -3.086 -2.143 2.636 18 HA ALA 3 HA AZH 3 -1.711 0.166 1.630 19 HB1 ALA 3 1HB AZH 3 -0.476 0.145 4.014 20 HB2 ALA 3 2HB AZH 3 -2.072 -0.339 4.556 21 H THR 4 H THR 4 0.246 -0.417 0.897 22 HA THR 4 HA THR 4 0.918 -3.191 1.258 23 HB THR 4 HB THR 4 2.669 -2.717 -0.459 24 HG1 THR 4 1HG THR 4 3.148 -0.671 -0.447 25 HG21 THR 4 1HG2 THR 4 0.465 -3.535 -1.134 26 HG22 THR 4 2HG2 THR 4 1.102 -2.410 -2.330 27 HG23 THR 4 3HG2 THR 4 -0.140 -1.881 -1.197 28 H LYS 5 H LYS 5 2.429 -3.891 2.612 29 HA LYS 5 HA LYS 5 4.034 -2.077 4.139 30 HB2 LYS 5 2HB LYS 5 5.029 -4.066 5.136 31 HB3 LYS 5 1HB LYS 5 3.280 -4.232 5.098 32 HG2 LYS 5 2HG LYS 5 3.410 -5.733 3.209 33 HG3 LYS 5 1HG LYS 5 5.146 -5.474 3.081 34 HD2 LYS 5 2HD LYS 5 3.720 -6.761 5.413 35 HD3 LYS 5 1HD LYS 5 4.613 -7.619 4.159 36 HE2 LYS 5 2HE LYS 5 6.669 -6.385 4.840 37 HE3 LYS 5 1HE LYS 5 5.751 -5.641 6.141 38 HZ1 LYS 5 1HZ LYS 5 6.310 -8.544 5.851 39 HZ2 LYS 5 2HZ LYS 5 5.333 -7.864 7.033 40 HZ3 LYS 5 3HZ LYS 5 6.968 -7.501 6.993 41 H SER 6 H SER 6 4.217 -3.303 1.093 42 HA SER 6 HA SER 6 7.080 -3.337 0.856 43 HB2 SER 6 2HB SER 6 6.385 -3.954 -1.519 44 HB3 SER 6 1HB SER 6 5.963 -5.114 -0.253 45 HG SER 6 HG SER 6 3.968 -4.850 -0.779 46 H ILE 7 H ILE 7 8.125 -1.815 -0.473 47 HA ILE 7 HA ILE 7 6.669 0.658 -0.876 48 HB ILE 7 HB ILE 7 8.892 1.657 -1.401 49 HG12 ILE 7 2HG1 ILE 7 10.017 -1.039 -0.595 50 HG13 ILE 7 1HG1 ILE 7 9.978 -0.431 -2.245 51 HG21 ILE 7 1HG2 ILE 7 8.036 1.771 0.858 52 HG22 ILE 7 2HG2 ILE 7 9.786 1.567 0.889 53 HG23 ILE 7 3HG2 ILE 7 8.734 0.195 1.229 54 HD11 ILE 7 1HD1 ILE 7 11.492 0.770 0.065 55 HD12 ILE 7 2HD1 ILE 7 11.460 1.404 -1.582 56 HD13 ILE 7 3HD1 ILE 7 12.179 -0.173 -1.257 57 HA PRO 8 HA PRO 8 6.872 2.531 -2.169 58 HB2 PRO 8 2HB PRO 8 4.979 3.544 -3.800 59 HB3 PRO 8 1HB PRO 8 6.697 3.579 -4.213 60 HG2 PRO 8 2HG PRO 8 4.573 1.671 -5.115 61 HG3 PRO 8 1HG PRO 8 5.838 2.459 -6.074 62 HD2 PRO 8 2HD PRO 8 6.038 -0.096 -5.184 63 HD3 PRO 8 1HD PRO 8 7.449 0.953 -5.411 64 HA PRO 9 HA PRO 9 3.303 1.211 0.193 65 HB2 PRO 9 2HB PRO 9 3.146 4.015 1.107 66 HB3 PRO 9 1HB PRO 9 3.401 2.548 2.054 67 HG2 PRO 9 2HG PRO 9 5.378 4.301 1.642 68 HG3 PRO 9 1HG PRO 9 5.685 2.552 1.686 69 HD2 PRO 9 2HD PRO 9 5.438 4.375 -0.676 70 HD3 PRO 9 1HD PRO 9 6.596 3.061 -0.355 71 H ARG 10 H ARG 10 1.644 0.876 -1.120 72 HA ARG 10 HA ARG 10 0.219 3.158 -2.275 73 HB2 ARG 10 2HB ARG 10 -0.028 0.208 -2.872 74 HB3 ARG 10 1HB ARG 10 -0.833 1.512 -3.735 75 HG2 ARG 10 2HG ARG 10 1.312 2.347 -4.505 76 HG3 ARG 10 1HG ARG 10 2.139 1.074 -3.609 77 HD2 ARG 10 2HD ARG 10 0.220 0.716 -5.898 78 HD3 ARG 10 1HD ARG 10 1.968 0.471 -5.930 79 HE ARG 10 HE ARG 10 0.174 -1.133 -4.243 80 HH11 ARG 10 1HH1 ARG 10 2.794 -0.979 -6.628 81 HH12 ARG 10 2HH1 ARG 10 3.045 -2.665 -6.628 82 HH21 ARG 10 1HH2 ARG 10 0.513 -3.388 -4.283 83 HH22 ARG 10 2HH2 ARG 10 1.728 -4.083 -5.255 84 H ALA 11 H PRG 11 -1.483 3.791 -1.097 85 HA ALA 11 HA PRG 11 -2.795 1.719 0.468 86 HB1 ALA 11 1HB PRG 11 -3.334 3.282 2.195 87 HB2 ALA 11 2HB PRG 11 -2.635 4.630 1.353 88 H PHE 12 H PHE 12 -4.923 1.827 0.714 89 HA PHE 12 HA PHE 12 -6.372 3.586 -1.097 90 HB2 PHE 12 2HB PHE 12 -6.827 0.588 -0.850 91 HB3 PHE 12 1HB PHE 12 -7.754 1.694 -1.833 92 HD1 PHE 12 1HD PHE 12 -6.815 2.665 -3.871 93 HD2 PHE 12 2HD PHE 12 -4.638 -0.197 -1.599 94 HE1 PHE 12 1HE PHE 12 -5.297 2.306 -5.772 95 HE2 PHE 12 2HE PHE 12 -3.125 -0.557 -3.484 96 HZ PHE 12 HZ PHE 12 -3.448 0.692 -5.583 97 HA PRO 13 HA PRO 13 -8.594 4.449 2.579 98 HB2 PRO 13 2HB PRO 13 -10.945 5.324 1.543 99 HB3 PRO 13 1HB PRO 13 -9.446 6.259 1.466 100 HG2 PRO 13 2HG PRO 13 -10.665 4.478 -0.619 101 HG3 PRO 13 1HG PRO 13 -10.007 6.114 -0.808 102 HD2 PRO 13 2HD PRO 13 -8.571 3.980 -1.494 103 HD3 PRO 13 1HD PRO 13 -7.809 5.376 -0.707 104 H ASP 14 H ASP 14 -9.549 1.878 0.640 105 HA ASP 14 HA ASP 14 -11.879 1.227 2.238 106 HB2 ASP 14 2HB ASP 14 -12.159 -0.696 0.729 107 HB3 ASP 14 1HB ASP 14 -12.025 0.809 -0.167 108 H1 WMH 101 1HG AZH 3 -2.225 2.042 4.736 109 H2 WMH 101 2HG AZH 3 -2.855 1.681 3.164 110 H5 WMH 101 HD PRG 11 0.087 4.682 1.128 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -8.724 0.957 2.475 2 HA2 GLY 1 2HA GLY 1 -8.201 0.453 4.728 3 HA3 GLY 1 1HA GLY 1 -9.391 -0.831 4.698 4 H ARG 2 H ARG 2 -6.610 -0.006 2.681 5 HA ARG 2 HA ARG 2 -5.167 -2.281 3.620 6 HB2 ARG 2 2HB ARG 2 -4.824 -3.230 1.325 7 HB3 ARG 2 1HB ARG 2 -6.461 -3.412 1.934 8 HG2 ARG 2 2HG ARG 2 -7.112 -1.425 0.618 9 HG3 ARG 2 1HG ARG 2 -5.473 -1.409 -0.044 10 HD2 ARG 2 2HD ARG 2 -7.389 -3.714 -0.275 11 HD3 ARG 2 1HD ARG 2 -7.144 -2.490 -1.512 12 HE ARG 2 HE ARG 2 -4.748 -3.815 -0.674 13 HH11 ARG 2 1HH1 ARG 2 -7.495 -3.873 -2.908 14 HH12 ARG 2 2HH1 ARG 2 -6.732 -4.921 -4.018 15 HH21 ARG 2 1HH2 ARG 2 -3.716 -5.220 -2.182 16 HH22 ARG 2 2HH2 ARG 2 -4.508 -5.680 -3.623 17 H ALA 3 H AZH 3 -2.998 -2.156 3.199 18 HA ALA 3 HA AZH 3 -1.934 0.167 1.785 19 HB1 ALA 3 1HB AZH 3 -0.386 0.250 3.959 20 HB2 ALA 3 2HB AZH 3 -1.851 -0.357 4.711 21 H THR 4 H THR 4 -0.077 -0.357 0.726 22 HA THR 4 HA THR 4 0.901 -3.022 1.122 23 HB THR 4 HB THR 4 2.459 -2.474 -0.749 24 HG1 THR 4 1HG THR 4 2.742 -0.457 -1.293 25 HG21 THR 4 1HG2 THR 4 -0.444 -1.840 -1.306 26 HG22 THR 4 2HG2 THR 4 0.281 -3.448 -1.274 27 HG23 THR 4 3HG2 THR 4 0.749 -2.294 -2.520 28 H LYS 5 H LYS 5 2.496 -3.512 2.432 29 HA LYS 5 HA LYS 5 4.059 -1.395 3.641 30 HB2 LYS 5 2HB LYS 5 4.153 -4.398 4.024 31 HB3 LYS 5 1HB LYS 5 5.119 -3.249 4.932 32 HG2 LYS 5 2HG LYS 5 2.108 -3.403 4.946 33 HG3 LYS 5 1HG LYS 5 3.175 -4.027 6.201 34 HD2 LYS 5 2HD LYS 5 4.041 -1.711 6.524 35 HD3 LYS 5 1HD LYS 5 2.832 -1.141 5.376 36 HE2 LYS 5 2HE LYS 5 2.037 -0.800 7.640 37 HE3 LYS 5 1HE LYS 5 1.053 -2.020 6.840 38 HZ1 LYS 5 1HZ LYS 5 1.573 -2.705 9.072 39 HZ2 LYS 5 2HZ LYS 5 3.219 -2.527 8.827 40 HZ3 LYS 5 3HZ LYS 5 2.370 -3.738 8.022 41 H SER 6 H SER 6 4.161 -3.510 1.055 42 HA SER 6 HA SER 6 6.953 -3.596 0.568 43 HB2 SER 6 2HB SER 6 6.137 -4.361 -1.679 44 HB3 SER 6 1HB SER 6 5.458 -5.281 -0.334 45 HG SER 6 HG SER 6 4.223 -3.087 -1.602 46 H ILE 7 H ILE 7 8.047 -2.219 -0.823 47 HA ILE 7 HA ILE 7 6.910 0.397 -1.064 48 HB ILE 7 HB ILE 7 9.083 1.044 -2.116 49 HG12 ILE 7 2HG1 ILE 7 9.904 -1.817 -1.536 50 HG13 ILE 7 1HG1 ILE 7 9.561 -1.197 -3.146 51 HG21 ILE 7 1HG2 ILE 7 10.437 0.734 -0.081 52 HG22 ILE 7 2HG2 ILE 7 9.266 -0.452 0.497 53 HG23 ILE 7 3HG2 ILE 7 8.783 1.229 0.281 54 HD11 ILE 7 1HD1 ILE 7 11.954 -1.317 -2.697 55 HD12 ILE 7 2HD1 ILE 7 11.745 -0.236 -1.313 56 HD13 ILE 7 3HD1 ILE 7 11.433 0.348 -2.944 57 HA PRO 8 HA PRO 8 6.912 2.169 -2.181 58 HB2 PRO 8 2HB PRO 8 4.782 3.326 -3.719 59 HB3 PRO 8 1HB PRO 8 6.500 3.722 -3.777 60 HG2 PRO 8 2HG PRO 8 5.102 2.518 -5.838 61 HG3 PRO 8 1HG PRO 8 6.858 2.426 -5.619 62 HD2 PRO 8 2HD PRO 8 4.743 0.441 -4.873 63 HD3 PRO 8 1HD PRO 8 6.349 0.152 -5.569 64 HA PRO 9 HA PRO 9 3.387 1.136 0.414 65 HB2 PRO 9 2HB PRO 9 3.735 3.830 1.589 66 HB3 PRO 9 1HB PRO 9 3.819 2.252 2.379 67 HG2 PRO 9 2HG PRO 9 6.028 3.698 1.963 68 HG3 PRO 9 1HG PRO 9 6.038 1.932 1.804 69 HD2 PRO 9 2HD PRO 9 5.927 4.023 -0.341 70 HD3 PRO 9 1HD PRO 9 6.877 2.522 -0.261 71 H ARG 10 H ARG 10 1.653 1.188 -0.870 72 HA ARG 10 HA ARG 10 0.456 3.767 -1.520 73 HB2 ARG 10 2HB ARG 10 0.104 1.058 -2.804 74 HB3 ARG 10 1HB ARG 10 -0.808 2.493 -3.238 75 HG2 ARG 10 2HG ARG 10 1.251 3.584 -3.960 76 HG3 ARG 10 1HG ARG 10 2.169 2.145 -3.511 77 HD2 ARG 10 2HD ARG 10 1.700 2.213 -5.904 78 HD3 ARG 10 1HD ARG 10 0.934 0.824 -5.131 79 HE ARG 10 HE ARG 10 -0.754 3.130 -5.325 80 HH11 ARG 10 1HH1 ARG 10 0.363 0.268 -7.060 81 HH12 ARG 10 2HH1 ARG 10 -1.010 0.164 -8.062 82 HH21 ARG 10 1HH2 ARG 10 -2.662 2.993 -6.733 83 HH22 ARG 10 2HH2 ARG 10 -2.733 1.739 -7.894 84 H ALA 11 H PRG 11 -1.472 4.167 -0.631 85 HA ALA 11 HA PRG 11 -2.657 1.921 0.765 86 HB1 ALA 11 1HB PRG 11 -3.438 3.371 2.535 87 HB2 ALA 11 2HB PRG 11 -2.769 4.786 1.774 88 H PHE 12 H PHE 12 -4.657 1.546 0.611 89 HA PHE 12 HA PHE 12 -6.120 3.166 -1.325 90 HB2 PHE 12 2HB PHE 12 -6.410 0.227 -0.670 91 HB3 PHE 12 1HB PHE 12 -7.325 1.101 -1.878 92 HD1 PHE 12 1HD PHE 12 -4.073 -0.408 -1.082 93 HD2 PHE 12 2HD PHE 12 -6.336 1.725 -3.997 94 HE1 PHE 12 1HE PHE 12 -2.394 -0.956 -2.780 95 HE2 PHE 12 2HE PHE 12 -4.645 1.179 -5.695 96 HZ PHE 12 HZ PHE 12 -2.676 -0.161 -5.089 97 HA PRO 13 HA PRO 13 -8.646 4.261 2.130 98 HB2 PRO 13 2HB PRO 13 -10.857 5.088 0.759 99 HB3 PRO 13 1HB PRO 13 -9.376 6.039 0.908 100 HG2 PRO 13 2HG PRO 13 -10.264 4.266 -1.335 101 HG3 PRO 13 1HG PRO 13 -9.567 5.895 -1.408 102 HD2 PRO 13 2HD PRO 13 -8.082 3.737 -1.886 103 HD3 PRO 13 1HD PRO 13 -7.417 5.126 -0.998 104 H ASP 14 H ASP 14 -9.313 1.573 0.247 105 HA ASP 14 HA ASP 14 -11.831 0.985 1.544 106 HB2 ASP 14 2HB ASP 14 -11.879 -1.071 0.269 107 HB3 ASP 14 1HB ASP 14 -11.419 0.240 -0.796 108 H1 WMH 101 1HG AZH 3 -2.396 1.904 4.899 109 H2 WMH 101 2HG AZH 3 -2.842 1.627 3.253 110 H5 WMH 101 HD PRG 11 -0.055 5.041 1.763 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -8.543 1.015 2.712 2 HA2 GLY 1 2HA GLY 1 -7.696 0.295 4.807 3 HA3 GLY 1 1HA GLY 1 -8.697 -1.150 4.691 4 H ARG 2 H ARG 2 -6.972 -0.101 1.950 5 HA ARG 2 HA ARG 2 -5.278 -2.476 2.165 6 HB2 ARG 2 2HB ARG 2 -6.755 -2.176 0.163 7 HB3 ARG 2 1HB ARG 2 -5.855 -0.726 -0.216 8 HG2 ARG 2 2HG ARG 2 -5.127 -2.541 -1.636 9 HG3 ARG 2 1HG ARG 2 -3.825 -2.072 -0.548 10 HD2 ARG 2 2HD ARG 2 -5.670 -4.337 0.151 11 HD3 ARG 2 1HD ARG 2 -4.320 -4.591 -0.944 12 HE ARG 2 HE ARG 2 -2.868 -3.828 0.862 13 HH11 ARG 2 1HH1 ARG 2 -6.101 -4.954 1.865 14 HH12 ARG 2 2HH1 ARG 2 -5.557 -5.573 3.346 15 HH21 ARG 2 1HH2 ARG 2 -2.157 -4.715 2.899 16 HH22 ARG 2 2HH2 ARG 2 -3.292 -5.457 3.924 17 H ALA 3 H AZH 3 -3.248 -2.206 2.627 18 HA ALA 3 HA AZH 3 -1.777 0.104 1.717 19 HB1 ALA 3 1HB AZH 3 -0.596 -0.182 4.106 20 HB2 ALA 3 2HB AZH 3 -2.227 -0.652 4.563 21 H THR 4 H THR 4 0.167 -0.414 0.962 22 HA THR 4 HA THR 4 0.850 -3.191 1.076 23 HB THR 4 HB THR 4 2.599 -2.554 -0.601 24 HG1 THR 4 1HG THR 4 3.076 -0.560 -0.739 25 HG21 THR 4 1HG2 THR 4 -0.203 -1.639 -1.271 26 HG22 THR 4 2HG2 THR 4 0.380 -3.301 -1.338 27 HG23 THR 4 3HG2 THR 4 1.039 -2.093 -2.439 28 H LYS 5 H LYS 5 2.339 -3.977 2.380 29 HA LYS 5 HA LYS 5 3.682 -2.326 4.258 30 HB2 LYS 5 2HB LYS 5 4.727 -4.356 5.064 31 HB3 LYS 5 1HB LYS 5 3.010 -4.628 4.806 32 HG2 LYS 5 2HG LYS 5 3.465 -5.850 2.774 33 HG3 LYS 5 1HG LYS 5 5.180 -5.460 2.887 34 HD2 LYS 5 2HD LYS 5 3.618 -7.117 4.875 35 HD3 LYS 5 1HD LYS 5 4.699 -7.753 3.639 36 HE2 LYS 5 2HE LYS 5 5.505 -5.951 5.943 37 HE3 LYS 5 1HE LYS 5 5.803 -7.674 5.820 38 HZ1 LYS 5 1HZ LYS 5 6.919 -5.653 3.931 39 HZ2 LYS 5 2HZ LYS 5 7.236 -7.305 3.942 40 HZ3 LYS 5 3HZ LYS 5 7.721 -6.338 5.237 41 H SER 6 H SER 6 4.424 -3.475 1.116 42 HA SER 6 HA SER 6 7.210 -2.777 1.449 43 HB2 SER 6 2HB SER 6 7.390 -3.971 -0.786 44 HB3 SER 6 1HB SER 6 6.982 -4.973 0.611 45 HG SER 6 HG SER 6 5.377 -5.559 -0.540 46 H ILE 7 H ILE 7 8.170 -1.502 -0.209 47 HA ILE 7 HA ILE 7 6.504 0.656 -1.024 48 HB ILE 7 HB ILE 7 8.570 1.639 -1.955 49 HG12 ILE 7 2HG1 ILE 7 9.897 -0.960 -1.132 50 HG13 ILE 7 1HG1 ILE 7 9.615 -0.444 -2.788 51 HG21 ILE 7 1HG2 ILE 7 8.928 0.444 0.790 52 HG22 ILE 7 2HG2 ILE 7 8.123 1.965 0.406 53 HG23 ILE 7 3HG2 ILE 7 9.857 1.793 0.140 54 HD11 ILE 7 1HD1 ILE 7 11.911 -0.067 -2.173 55 HD12 ILE 7 2HD1 ILE 7 11.412 0.883 -0.774 56 HD13 ILE 7 3HD1 ILE 7 11.100 1.486 -2.401 57 HA PRO 8 HA PRO 8 6.607 2.304 -2.731 58 HB2 PRO 8 2HB PRO 8 4.282 2.477 -4.498 59 HB3 PRO 8 1HB PRO 8 5.800 3.372 -4.579 60 HG2 PRO 8 2HG PRO 8 5.123 1.493 -6.405 61 HG3 PRO 8 1HG PRO 8 6.802 1.811 -5.938 62 HD2 PRO 8 2HD PRO 8 4.965 -0.378 -5.040 63 HD3 PRO 8 1HD PRO 8 6.683 -0.465 -5.483 64 HA PRO 9 HA PRO 9 3.312 1.198 0.107 65 HB2 PRO 9 2HB PRO 9 3.591 3.853 1.283 66 HB3 PRO 9 1HB PRO 9 3.975 2.284 1.996 67 HG2 PRO 9 2HG PRO 9 5.888 4.076 1.310 68 HG3 PRO 9 1HG PRO 9 6.145 2.325 1.252 69 HD2 PRO 9 2HD PRO 9 5.520 4.224 -0.979 70 HD3 PRO 9 1HD PRO 9 6.681 2.877 -0.921 71 H ARG 10 H ARG 10 1.575 1.203 -1.134 72 HA ARG 10 HA ARG 10 0.282 3.765 -1.763 73 HB2 ARG 10 2HB ARG 10 0.015 1.045 -3.057 74 HB3 ARG 10 1HB ARG 10 -0.996 2.426 -3.449 75 HG2 ARG 10 2HG ARG 10 1.998 2.387 -3.760 76 HG3 ARG 10 1HG ARG 10 0.855 2.026 -5.054 77 HD2 ARG 10 2HD ARG 10 0.959 4.614 -3.511 78 HD3 ARG 10 1HD ARG 10 1.673 4.354 -5.098 79 HE ARG 10 HE ARG 10 -0.701 3.728 -5.757 80 HH11 ARG 10 1HH1 ARG 10 0.031 6.228 -3.338 81 HH12 ARG 10 2HH1 ARG 10 -1.315 7.183 -3.706 82 HH21 ARG 10 1HH2 ARG 10 -2.581 5.042 -6.240 83 HH22 ARG 10 2HH2 ARG 10 -2.851 6.479 -5.373 84 H ALA 11 H PRG 11 -1.416 4.230 -0.547 85 HA ALA 11 HA PRG 11 -2.734 1.956 0.667 86 HB1 ALA 11 1HB PRG 11 -3.278 3.317 2.610 87 HB2 ALA 11 2HB PRG 11 -2.472 4.709 1.935 88 H PHE 12 H PHE 12 -4.801 1.874 0.665 89 HA PHE 12 HA PHE 12 -6.195 3.862 -0.990 90 HB2 PHE 12 2HB PHE 12 -6.588 0.850 -1.106 91 HB3 PHE 12 1HB PHE 12 -7.472 2.043 -2.036 92 HD1 PHE 12 1HD PHE 12 -4.315 0.235 -1.707 93 HD2 PHE 12 2HD PHE 12 -6.435 3.201 -3.906 94 HE1 PHE 12 1HE PHE 12 -2.642 0.095 -3.498 95 HE2 PHE 12 2HE PHE 12 -4.765 3.064 -5.697 96 HZ PHE 12 HZ PHE 12 -2.866 1.511 -5.499 97 HA PRO 13 HA PRO 13 -8.942 4.374 2.357 98 HB2 PRO 13 2HB PRO 13 -11.305 4.739 0.962 99 HB3 PRO 13 1HB PRO 13 -10.110 5.986 1.304 100 HG2 PRO 13 2HG PRO 13 -10.506 4.365 -1.168 101 HG3 PRO 13 1HG PRO 13 -10.051 6.069 -1.002 102 HD2 PRO 13 2HD PRO 13 -8.258 4.201 -1.632 103 HD3 PRO 13 1HD PRO 13 -7.838 5.563 -0.574 104 H ASP 14 H ASP 14 -9.223 1.559 0.543 105 HA ASP 14 HA ASP 14 -11.640 0.651 1.923 106 HB2 ASP 14 2HB ASP 14 -11.491 -1.397 0.635 107 HB3 ASP 14 1HB ASP 14 -11.303 -0.042 -0.460 108 H1 WMH 101 1HG AZH 3 -2.354 1.699 4.918 109 H2 WMH 101 2HG AZH 3 -2.868 1.481 3.278 110 H5 WMH 101 HD PRG 11 0.281 4.541 1.700 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -8.600 1.193 3.052 2 HA2 GLY 1 2HA GLY 1 -7.377 0.375 4.869 3 HA3 GLY 1 1HA GLY 1 -8.437 -1.025 4.908 4 H ARG 2 H ARG 2 -7.070 -0.110 1.934 5 HA ARG 2 HA ARG 2 -5.513 -2.586 1.899 6 HB2 ARG 2 2HB ARG 2 -7.232 -2.139 0.161 7 HB3 ARG 2 1HB ARG 2 -6.337 -0.710 -0.297 8 HG2 ARG 2 2HG ARG 2 -4.476 -2.088 -1.027 9 HG3 ARG 2 1HG ARG 2 -5.361 -3.542 -0.539 10 HD2 ARG 2 2HD ARG 2 -7.167 -2.964 -2.070 11 HD3 ARG 2 1HD ARG 2 -6.296 -1.513 -2.550 12 HE ARG 2 HE ARG 2 -4.615 -3.624 -3.003 13 HH11 ARG 2 1HH1 ARG 2 -7.751 -2.486 -4.163 14 HH12 ARG 2 2HH1 ARG 2 -7.684 -3.223 -5.679 15 HH21 ARG 2 1HH2 ARG 2 -4.437 -4.648 -5.090 16 HH22 ARG 2 2HH2 ARG 2 -5.685 -4.533 -6.238 17 H ALA 3 H AZH 3 -3.470 -2.320 2.433 18 HA ALA 3 HA AZH 3 -1.957 -0.021 1.436 19 HB1 ALA 3 1HB AZH 3 -0.759 -0.345 3.802 20 HB2 ALA 3 2HB AZH 3 -2.381 -0.840 4.253 21 H THR 4 H THR 4 0.001 -0.548 0.634 22 HA THR 4 HA THR 4 0.866 -3.271 0.877 23 HB THR 4 HB THR 4 2.747 -2.423 -0.624 24 HG1 THR 4 1HG THR 4 2.791 -0.400 -1.209 25 HG21 THR 4 1HG2 THR 4 -0.087 -2.004 -1.596 26 HG22 THR 4 2HG2 THR 4 0.779 -3.540 -1.567 27 HG23 THR 4 3HG2 THR 4 1.323 -2.241 -2.627 28 H LYS 5 H LYS 5 2.723 -3.890 1.957 29 HA LYS 5 HA LYS 5 3.514 -2.084 4.098 30 HB2 LYS 5 2HB LYS 5 4.229 -4.975 3.583 31 HB3 LYS 5 1HB LYS 5 4.671 -4.075 5.021 32 HG2 LYS 5 2HG LYS 5 1.845 -4.687 4.153 33 HG3 LYS 5 1HG LYS 5 2.751 -5.582 5.369 34 HD2 LYS 5 2HD LYS 5 2.068 -2.644 5.542 35 HD3 LYS 5 1HD LYS 5 1.158 -3.931 6.326 36 HE2 LYS 5 2HE LYS 5 3.154 -4.560 7.610 37 HE3 LYS 5 1HE LYS 5 4.069 -3.283 6.820 38 HZ1 LYS 5 1HZ LYS 5 2.594 -1.653 7.826 39 HZ2 LYS 5 2HZ LYS 5 3.321 -2.606 8.995 40 HZ3 LYS 5 3HZ LYS 5 1.708 -2.879 8.579 41 H SER 6 H SER 6 4.840 -3.742 1.335 42 HA SER 6 HA SER 6 7.457 -2.633 1.763 43 HB2 SER 6 2HB SER 6 7.879 -3.930 -0.386 44 HB3 SER 6 1HB SER 6 7.425 -4.888 1.025 45 HG SER 6 HG SER 6 5.563 -5.365 0.138 46 H ILE 7 H ILE 7 8.480 -1.449 -0.042 47 HA ILE 7 HA ILE 7 6.834 0.664 -0.963 48 HB ILE 7 HB ILE 7 8.851 1.457 -2.156 49 HG12 ILE 7 2HG1 ILE 7 10.163 -1.078 -1.120 50 HG13 ILE 7 1HG1 ILE 7 9.739 -0.775 -2.796 51 HG21 ILE 7 1HG2 ILE 7 8.564 2.077 0.158 52 HG22 ILE 7 2HG2 ILE 7 10.274 1.798 -0.164 53 HG23 ILE 7 3HG2 ILE 7 9.325 0.580 0.687 54 HD11 ILE 7 1HD1 ILE 7 11.729 0.781 -1.169 55 HD12 ILE 7 2HD1 ILE 7 11.322 1.073 -2.861 56 HD13 ILE 7 3HD1 ILE 7 12.104 -0.435 -2.390 57 HA PRO 8 HA PRO 8 6.716 2.161 -2.629 58 HB2 PRO 8 2HB PRO 8 4.399 2.312 -4.411 59 HB3 PRO 8 1HB PRO 8 5.924 3.189 -4.517 60 HG2 PRO 8 2HG PRO 8 5.239 1.282 -6.299 61 HG3 PRO 8 1HG PRO 8 6.919 1.575 -5.820 62 HD2 PRO 8 2HD PRO 8 5.026 -0.545 -4.855 63 HD3 PRO 8 1HD PRO 8 6.732 -0.694 -5.330 64 HA PRO 9 HA PRO 9 3.286 1.151 0.144 65 HB2 PRO 9 2HB PRO 9 3.609 3.771 1.365 66 HB3 PRO 9 1HB PRO 9 3.988 2.192 2.054 67 HG2 PRO 9 2HG PRO 9 5.901 4.014 1.383 68 HG3 PRO 9 1HG PRO 9 6.172 2.265 1.354 69 HD2 PRO 9 2HD PRO 9 5.569 4.126 -0.913 70 HD3 PRO 9 1HD PRO 9 6.733 2.783 -0.821 71 H ARG 10 H ARG 10 1.504 1.242 -1.059 72 HA ARG 10 HA ARG 10 0.363 3.874 -1.643 73 HB2 ARG 10 2HB ARG 10 1.114 2.700 -3.683 74 HB3 ARG 10 1HB ARG 10 0.137 1.318 -3.243 75 HG2 ARG 10 2HG ARG 10 -1.880 2.488 -3.621 76 HG3 ARG 10 1HG ARG 10 -1.040 4.034 -3.728 77 HD2 ARG 10 2HD ARG 10 -1.699 3.189 -5.939 78 HD3 ARG 10 1HD ARG 10 0.044 3.348 -5.775 79 HE ARG 10 HE ARG 10 -0.906 0.699 -5.192 80 HH11 ARG 10 1HH1 ARG 10 0.022 2.882 -7.821 81 HH12 ARG 10 2HH1 ARG 10 0.471 1.654 -8.893 82 HH21 ARG 10 1HH2 ARG 10 -0.280 -1.007 -6.653 83 HH22 ARG 10 2HH2 ARG 10 0.328 -0.626 -8.200 84 H ALA 11 H PRG 11 -1.527 4.230 -0.664 85 HA ALA 11 HA PRG 11 -2.871 1.885 0.428 86 HB1 ALA 11 1HB PRG 11 -3.474 3.133 2.406 87 HB2 ALA 11 2HB PRG 11 -2.697 4.577 1.820 88 H PHE 12 H PHE 12 -4.974 1.867 0.512 89 HA PHE 12 HA PHE 12 -6.379 3.928 -1.022 90 HB2 PHE 12 2HB PHE 12 -6.982 0.948 -1.052 91 HB3 PHE 12 1HB PHE 12 -7.783 2.197 -1.983 92 HD1 PHE 12 1HD PHE 12 -4.767 0.162 -1.703 93 HD2 PHE 12 2HD PHE 12 -6.750 3.195 -3.917 94 HE1 PHE 12 1HE PHE 12 -3.180 -0.159 -3.539 95 HE2 PHE 12 2HE PHE 12 -5.155 2.883 -5.767 96 HZ PHE 12 HZ PHE 12 -3.368 1.201 -5.578 97 HA PRO 13 HA PRO 13 -8.975 4.455 2.495 98 HB2 PRO 13 2HB PRO 13 -11.369 4.575 0.788 99 HB3 PRO 13 1HB PRO 13 -10.648 5.823 1.807 100 HG2 PRO 13 2HG PRO 13 -10.475 5.958 -0.853 101 HG3 PRO 13 1HG PRO 13 -9.129 6.458 0.187 102 HD2 PRO 13 2HD PRO 13 -9.503 3.917 -1.334 103 HD3 PRO 13 1HD PRO 13 -8.060 4.946 -1.190 104 H ASP 14 H ASP 14 -9.363 1.632 0.761 105 HA ASP 14 HA ASP 14 -11.602 0.715 2.413 106 HB2 ASP 14 2HB ASP 14 -11.739 -1.220 0.993 107 HB3 ASP 14 1HB ASP 14 -11.567 0.181 -0.049 108 H1 WMH 101 1HG AZH 3 -2.511 1.464 4.695 109 H2 WMH 101 2HG AZH 3 -3.063 1.335 3.054 110 H5 WMH 101 HD PRG 11 0.044 4.539 1.653 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -8.445 1.233 2.499 2 HA2 GLY 1 2HA GLY 1 -7.625 1.497 4.754 3 HA3 GLY 1 1HA GLY 1 -8.451 0.005 5.167 4 H ARG 2 H ARG 2 -7.356 -0.794 2.321 5 HA ARG 2 HA ARG 2 -5.195 -2.302 3.397 6 HB2 ARG 2 2HB ARG 2 -6.054 -1.913 0.535 7 HB3 ARG 2 1HB ARG 2 -4.792 -3.014 1.046 8 HG2 ARG 2 2HG ARG 2 -7.691 -3.156 1.835 9 HG3 ARG 2 1HG ARG 2 -6.887 -4.161 0.632 10 HD2 ARG 2 2HD ARG 2 -6.249 -4.075 3.582 11 HD3 ARG 2 1HD ARG 2 -7.134 -5.343 2.744 12 HE ARG 2 HE ARG 2 -4.519 -4.860 1.664 13 HH11 ARG 2 1HH1 ARG 2 -6.322 -6.649 4.118 14 HH12 ARG 2 2HH1 ARG 2 -5.174 -7.887 4.273 15 HH21 ARG 2 1HH2 ARG 2 -2.932 -6.514 1.856 16 HH22 ARG 2 2HH2 ARG 2 -3.167 -7.808 2.940 17 H ALA 3 H AZH 3 -3.102 -2.012 3.289 18 HA ALA 3 HA AZH 3 -2.036 0.195 1.733 19 HB1 ALA 3 1HB AZH 3 -0.419 0.308 3.857 20 HB2 ALA 3 2HB AZH 3 -1.868 -0.260 4.674 21 H THR 4 H THR 4 -0.244 -0.346 0.675 22 HA THR 4 HA THR 4 0.539 -3.070 0.657 23 HB THR 4 HB THR 4 2.332 -1.017 -0.465 24 HG1 THR 4 1HG THR 4 0.017 -1.614 -1.953 25 HG21 THR 4 1HG2 THR 4 1.016 -3.481 -1.560 26 HG22 THR 4 2HG2 THR 4 2.656 -3.390 -0.894 27 HG23 THR 4 3HG2 THR 4 2.252 -2.540 -2.394 28 H LYS 5 H LYS 5 2.466 -3.886 1.362 29 HA LYS 5 HA LYS 5 3.656 -2.492 3.631 30 HB2 LYS 5 2HB LYS 5 2.774 -4.806 3.881 31 HB3 LYS 5 1HB LYS 5 3.930 -5.326 2.671 32 HG2 LYS 5 2HG LYS 5 5.771 -4.815 4.139 33 HG3 LYS 5 1HG LYS 5 4.658 -4.161 5.344 34 HD2 LYS 5 2HD LYS 5 5.304 -6.446 5.940 35 HD3 LYS 5 1HD LYS 5 3.591 -6.359 5.551 36 HE2 LYS 5 2HE LYS 5 4.085 -7.190 3.275 37 HE3 LYS 5 1HE LYS 5 5.785 -7.337 3.719 38 HZ1 LYS 5 1HZ LYS 5 3.546 -8.766 5.031 39 HZ2 LYS 5 2HZ LYS 5 5.188 -8.987 5.346 40 HZ3 LYS 5 3HZ LYS 5 4.544 -9.414 3.844 41 H SER 6 H SER 6 4.387 -3.906 0.509 42 HA SER 6 HA SER 6 7.181 -3.467 0.671 43 HB2 SER 6 2HB SER 6 6.934 -3.991 -1.852 44 HB3 SER 6 1HB SER 6 6.532 -5.259 -0.693 45 HG SER 6 HG SER 6 4.610 -5.271 -1.460 46 H ILE 7 H ILE 7 8.370 -1.858 -0.336 47 HA ILE 7 HA ILE 7 6.949 0.628 -0.627 48 HB ILE 7 HB ILE 7 9.220 1.657 -0.894 49 HG12 ILE 7 2HG1 ILE 7 10.224 -1.157 -0.353 50 HG13 ILE 7 1HG1 ILE 7 10.369 -0.313 -1.888 51 HG21 ILE 7 1HG2 ILE 7 9.939 1.283 1.432 52 HG22 ILE 7 2HG2 ILE 7 8.838 -0.088 1.534 53 HG23 ILE 7 3HG2 ILE 7 8.199 1.538 1.302 54 HD11 ILE 7 1HD1 ILE 7 12.462 -0.287 -0.656 55 HD12 ILE 7 2HD1 ILE 7 11.662 0.487 0.713 56 HD13 ILE 7 3HD1 ILE 7 11.818 1.346 -0.819 57 HA PRO 8 HA PRO 8 7.043 2.550 -1.541 58 HB2 PRO 8 2HB PRO 8 5.474 3.941 -3.214 59 HB3 PRO 8 1HB PRO 8 7.236 3.937 -3.374 60 HG2 PRO 8 2HG PRO 8 5.196 2.444 -4.952 61 HG3 PRO 8 1HG PRO 8 6.683 3.236 -5.500 62 HD2 PRO 8 2HD PRO 8 6.417 0.525 -5.018 63 HD3 PRO 8 1HD PRO 8 7.954 1.402 -5.046 64 HA PRO 9 HA PRO 9 3.245 0.713 -0.174 65 HB2 PRO 9 2HB PRO 9 2.644 2.448 1.832 66 HB3 PRO 9 1HB PRO 9 3.909 1.221 1.972 67 HG2 PRO 9 2HG PRO 9 4.156 4.139 1.384 68 HG3 PRO 9 1HG PRO 9 5.176 3.114 2.408 69 HD2 PRO 9 2HD PRO 9 5.853 3.857 -0.126 70 HD3 PRO 9 1HD PRO 9 6.402 2.349 0.629 71 H ARG 10 H ARG 10 1.257 0.882 -1.066 72 HA ARG 10 HA ARG 10 0.252 3.552 -1.764 73 HB2 ARG 10 2HB ARG 10 -0.704 0.855 -2.745 74 HB3 ARG 10 1HB ARG 10 -1.159 2.432 -3.365 75 HG2 ARG 10 2HG ARG 10 1.097 2.751 -4.214 76 HG3 ARG 10 1HG ARG 10 1.555 1.168 -3.577 77 HD2 ARG 10 2HD ARG 10 -0.253 0.170 -4.977 78 HD3 ARG 10 1HD ARG 10 -0.485 1.757 -5.711 79 HE ARG 10 HE ARG 10 2.205 0.809 -5.763 80 HH11 ARG 10 1HH1 ARG 10 -0.873 0.797 -7.529 81 HH12 ARG 10 2HH1 ARG 10 -0.139 0.394 -9.012 82 HH21 ARG 10 1HH2 ARG 10 3.161 0.229 -7.803 83 HH22 ARG 10 2HH2 ARG 10 2.180 0.091 -9.178 84 H ALA 11 H PRG 11 -1.804 4.068 -0.916 85 HA ALA 11 HA PRG 11 -2.874 1.972 0.748 86 HB1 ALA 11 1HB PRG 11 -3.519 3.496 2.518 87 HB2 ALA 11 2HB PRG 11 -2.877 4.881 1.679 88 H PHE 12 H PHE 12 -4.807 1.554 0.690 89 HA PHE 12 HA PHE 12 -6.296 2.731 -1.510 90 HB2 PHE 12 2HB PHE 12 -6.466 0.043 -0.134 91 HB3 PHE 12 1HB PHE 12 -7.462 0.545 -1.493 92 HD1 PHE 12 1HD PHE 12 -3.930 -0.254 -0.489 93 HD2 PHE 12 2HD PHE 12 -6.675 0.394 -3.706 94 HE1 PHE 12 1HE PHE 12 -2.272 -1.054 -2.062 95 HE2 PHE 12 2HE PHE 12 -4.984 -0.428 -5.283 96 HZ PHE 12 HZ PHE 12 -2.780 -1.152 -4.463 97 HA PRO 13 HA PRO 13 -9.292 4.556 1.135 98 HB2 PRO 13 2HB PRO 13 -11.609 4.038 -0.242 99 HB3 PRO 13 1HB PRO 13 -10.450 5.302 -0.672 100 HG2 PRO 13 2HG PRO 13 -10.717 2.532 -1.779 101 HG3 PRO 13 1HG PRO 13 -10.483 4.065 -2.642 102 HD2 PRO 13 2HD PRO 13 -8.436 2.425 -2.236 103 HD3 PRO 13 1HD PRO 13 -8.227 4.183 -2.072 104 H ASP 14 H ASP 14 -9.571 1.190 0.422 105 HA ASP 14 HA ASP 14 -11.724 0.821 2.318 106 HB2 ASP 14 2HB ASP 14 -11.750 -1.489 1.700 107 HB3 ASP 14 1HB ASP 14 -11.560 -0.563 0.221 108 H1 WMH 101 1HG AZH 3 -2.340 2.031 4.837 109 H2 WMH 101 2HG AZH 3 -2.896 1.725 3.229 110 H5 WMH 101 HD PRG 11 -0.183 5.112 1.528 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -8.593 1.391 2.816 2 HA2 GLY 1 2HA GLY 1 -7.466 0.855 4.849 3 HA3 GLY 1 1HA GLY 1 -8.767 -0.267 5.227 4 H ARG 2 H ARG 2 -6.245 0.303 2.856 5 HA ARG 2 HA ARG 2 -5.345 -2.404 3.059 6 HB2 ARG 2 2HB ARG 2 -7.166 -2.660 1.437 7 HB3 ARG 2 1HB ARG 2 -6.521 -1.338 0.480 8 HG2 ARG 2 2HG ARG 2 -4.565 -2.654 -0.066 9 HG3 ARG 2 1HG ARG 2 -5.138 -3.952 0.982 10 HD2 ARG 2 2HD ARG 2 -7.072 -4.282 -0.407 11 HD3 ARG 2 1HD ARG 2 -6.621 -2.913 -1.423 12 HE ARG 2 HE ARG 2 -4.500 -4.649 -1.425 13 HH11 ARG 2 1HH1 ARG 2 -7.865 -4.749 -2.467 14 HH12 ARG 2 2HH1 ARG 2 -7.599 -5.856 -3.738 15 HH21 ARG 2 1HH2 ARG 2 -4.104 -6.140 -3.215 16 HH22 ARG 2 2HH2 ARG 2 -5.400 -6.669 -4.163 17 H ALA 3 H AZH 3 -3.185 -2.229 3.012 18 HA ALA 3 HA AZH 3 -1.892 -0.185 1.369 19 HB1 ALA 3 1HB AZH 3 -0.358 0.101 3.492 20 HB2 ALA 3 2HB AZH 3 -1.780 -0.457 4.358 21 H THR 4 H THR 4 -0.092 -0.979 0.410 22 HA THR 4 HA THR 4 0.570 -3.733 0.840 23 HB THR 4 HB THR 4 2.313 -3.331 -0.918 24 HG1 THR 4 1HG THR 4 2.736 -1.433 -1.612 25 HG21 THR 4 1HG2 THR 4 0.748 -2.969 -2.771 26 HG22 THR 4 2HG2 THR 4 -0.460 -2.390 -1.627 27 HG23 THR 4 3HG2 THR 4 0.084 -4.069 -1.562 28 H LYS 5 H LYS 5 2.161 -4.524 2.109 29 HA LYS 5 HA LYS 5 3.804 -2.629 3.492 30 HB2 LYS 5 2HB LYS 5 4.738 -4.606 4.739 31 HB3 LYS 5 1HB LYS 5 3.001 -4.432 4.865 32 HG2 LYS 5 2HG LYS 5 2.719 -6.219 3.195 33 HG3 LYS 5 1HG LYS 5 4.474 -6.391 3.111 34 HD2 LYS 5 2HD LYS 5 4.514 -6.924 5.518 35 HD3 LYS 5 1HD LYS 5 2.755 -6.809 5.558 36 HE2 LYS 5 2HE LYS 5 3.461 -9.124 5.422 37 HE3 LYS 5 1HE LYS 5 2.614 -8.661 3.954 38 HZ1 LYS 5 1HZ LYS 5 4.734 -8.391 2.846 39 HZ2 LYS 5 2HZ LYS 5 4.615 -9.942 3.469 40 HZ3 LYS 5 3HZ LYS 5 5.566 -8.796 4.247 41 H SER 6 H SER 6 4.744 -1.797 1.657 42 HA SER 6 HA SER 6 7.292 -2.877 0.941 43 HB2 SER 6 2HB SER 6 6.673 -2.849 -1.530 44 HB3 SER 6 1HB SER 6 6.012 -4.194 -0.592 45 HG SER 6 HG SER 6 4.308 -2.351 -0.296 46 H ILE 7 H ILE 7 8.367 -1.252 -0.558 47 HA ILE 7 HA ILE 7 7.045 1.351 -0.468 48 HB ILE 7 HB ILE 7 10.034 0.776 -0.206 49 HG12 ILE 7 2HG1 ILE 7 9.787 2.195 1.933 50 HG13 ILE 7 1HG1 ILE 7 8.057 1.971 1.753 51 HG21 ILE 7 1HG2 ILE 7 9.713 2.700 -1.638 52 HG22 ILE 7 2HG2 ILE 7 10.404 3.189 -0.093 53 HG23 ILE 7 3HG2 ILE 7 8.693 3.466 -0.416 54 HD11 ILE 7 1HD1 ILE 7 8.365 -0.451 1.969 55 HD12 ILE 7 2HD1 ILE 7 8.984 0.422 3.370 56 HD13 ILE 7 3HD1 ILE 7 10.102 -0.208 2.158 57 HA PRO 8 HA PRO 8 6.788 3.203 -1.682 58 HB2 PRO 8 2HB PRO 8 5.064 3.109 -4.064 59 HB3 PRO 8 1HB PRO 8 5.974 4.470 -3.408 60 HG2 PRO 8 2HG PRO 8 6.726 3.306 -5.657 61 HG3 PRO 8 1HG PRO 8 7.934 3.828 -4.463 62 HD2 PRO 8 2HD PRO 8 6.817 1.078 -4.926 63 HD3 PRO 8 1HD PRO 8 8.513 1.581 -4.753 64 HA PRO 9 HA PRO 9 3.386 0.673 -0.352 65 HB2 PRO 9 2HB PRO 9 2.373 2.346 1.510 66 HB3 PRO 9 1HB PRO 9 3.864 1.437 1.773 67 HG2 PRO 9 2HG PRO 9 3.489 4.311 1.109 68 HG3 PRO 9 1HG PRO 9 4.737 3.539 2.099 69 HD2 PRO 9 2HD PRO 9 5.030 4.373 -0.548 70 HD3 PRO 9 1HD PRO 9 6.098 3.243 0.311 71 H ARG 10 H ARG 10 1.570 0.406 -1.412 72 HA ARG 10 HA ARG 10 0.151 2.735 -2.471 73 HB2 ARG 10 2HB ARG 10 -0.071 -0.200 -3.171 74 HB3 ARG 10 1HB ARG 10 -1.024 1.079 -3.899 75 HG2 ARG 10 2HG ARG 10 1.958 0.707 -4.119 76 HG3 ARG 10 1HG ARG 10 0.754 0.421 -5.377 77 HD2 ARG 10 2HD ARG 10 1.479 3.071 -4.129 78 HD3 ARG 10 1HD ARG 10 1.843 2.531 -5.764 79 HE ARG 10 HE ARG 10 -0.962 2.707 -4.962 80 HH11 ARG 10 1HH1 ARG 10 1.697 4.082 -6.869 81 HH12 ARG 10 2HH1 ARG 10 0.678 5.071 -7.801 82 HH21 ARG 10 1HH2 ARG 10 -2.317 4.095 -6.184 83 HH22 ARG 10 2HH2 ARG 10 -1.669 5.093 -7.396 84 H ALA 11 H PRG 11 -1.782 3.256 -1.622 85 HA ALA 11 HA PRG 11 -2.968 1.248 0.116 86 HB1 ALA 11 1HB PRG 11 -3.562 2.839 1.785 87 HB2 ALA 11 2HB PRG 11 -3.008 4.202 0.880 88 H PHE 12 H PHE 12 -5.156 1.533 0.510 89 HA PHE 12 HA PHE 12 -6.602 3.068 -1.503 90 HB2 PHE 12 2HB PHE 12 -7.246 0.262 -0.541 91 HB3 PHE 12 1HB PHE 12 -8.283 1.229 -1.575 92 HD1 PHE 12 1HD PHE 12 -7.503 1.839 -3.863 93 HD2 PHE 12 2HD PHE 12 -5.453 -0.976 -1.433 94 HE1 PHE 12 1HE PHE 12 -6.379 0.950 -5.852 95 HE2 PHE 12 2HE PHE 12 -4.325 -1.876 -3.409 96 HZ PHE 12 HZ PHE 12 -4.787 -0.913 -5.636 97 HA PRO 13 HA PRO 13 -8.443 4.846 2.045 98 HB2 PRO 13 2HB PRO 13 -11.002 5.110 0.601 99 HB3 PRO 13 1HB PRO 13 -9.936 6.364 1.241 100 HG2 PRO 13 2HG PRO 13 -10.107 5.938 -1.379 101 HG3 PRO 13 1HG PRO 13 -8.558 6.332 -0.613 102 HD2 PRO 13 2HD PRO 13 -9.616 3.663 -1.467 103 HD3 PRO 13 1HD PRO 13 -8.008 4.367 -1.729 104 H ASP 14 H ASP 14 -9.821 1.963 0.804 105 HA ASP 14 HA ASP 14 -11.833 1.813 2.891 106 HB2 ASP 14 2HB ASP 14 -12.516 -0.305 1.974 107 HB3 ASP 14 1HB ASP 14 -12.267 0.796 0.631 108 H1 WMH 101 1HG AZH 3 -2.285 1.850 4.406 109 H2 WMH 101 2HG AZH 3 -2.901 1.396 2.860 110 H5 WMH 101 HD PRG 11 -0.300 4.537 0.628 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -8.724 1.092 2.397 2 HA2 GLY 1 2HA GLY 1 -7.937 1.063 4.616 3 HA3 GLY 1 1HA GLY 1 -9.144 -0.161 4.997 4 H ARG 2 H ARG 2 -6.362 0.291 2.869 5 HA ARG 2 HA ARG 2 -5.137 -2.081 3.929 6 HB2 ARG 2 2HB ARG 2 -6.579 -2.933 2.059 7 HB3 ARG 2 1HB ARG 2 -5.748 -1.845 0.963 8 HG2 ARG 2 2HG ARG 2 -3.635 -3.018 1.433 9 HG3 ARG 2 1HG ARG 2 -4.512 -4.138 2.475 10 HD2 ARG 2 2HD ARG 2 -5.912 -4.768 0.542 11 HD3 ARG 2 1HD ARG 2 -4.926 -3.723 -0.483 12 HE ARG 2 HE ARG 2 -3.394 -5.620 0.990 13 HH11 ARG 2 1HH1 ARG 2 -5.214 -5.145 -2.022 14 HH12 ARG 2 2HH1 ARG 2 -4.505 -6.466 -2.820 15 HH21 ARG 2 1HH2 ARG 2 -2.427 -7.477 -0.136 16 HH22 ARG 2 2HH2 ARG 2 -2.927 -7.822 -1.720 17 H ALA 3 H AZH 3 -2.915 -1.918 3.685 18 HA ALA 3 HA AZH 3 -1.895 0.289 2.081 19 HB1 ALA 3 1HB AZH 3 -0.233 0.585 4.108 20 HB2 ALA 3 2HB AZH 3 -1.561 -0.120 5.026 21 H THR 4 H THR 4 0.045 -0.088 1.091 22 HA THR 4 HA THR 4 0.642 -2.813 0.813 23 HB THR 4 HB THR 4 2.421 -2.016 -0.756 24 HG1 THR 4 1HG THR 4 2.955 0.015 -0.808 25 HG21 THR 4 1HG2 THR 4 -0.295 -0.742 -1.124 26 HG22 THR 4 2HG2 THR 4 0.102 -2.413 -1.496 27 HG23 THR 4 3HG2 THR 4 0.849 -1.107 -2.414 28 H LYS 5 H LYS 5 2.214 -3.986 1.633 29 HA LYS 5 HA LYS 5 3.784 -2.795 3.756 30 HB2 LYS 5 2HB LYS 5 3.528 -5.681 2.883 31 HB3 LYS 5 1HB LYS 5 4.438 -5.119 4.279 32 HG2 LYS 5 2HG LYS 5 2.394 -4.278 5.303 33 HG3 LYS 5 1HG LYS 5 1.467 -4.800 3.898 34 HD2 LYS 5 2HD LYS 5 2.126 -7.125 4.348 35 HD3 LYS 5 1HD LYS 5 3.027 -6.584 5.765 36 HE2 LYS 5 2HE LYS 5 0.971 -5.749 6.771 37 HE3 LYS 5 1HE LYS 5 0.060 -6.237 5.345 38 HZ1 LYS 5 1HZ LYS 5 1.513 -8.042 7.191 39 HZ2 LYS 5 2HZ LYS 5 0.694 -8.552 5.820 40 HZ3 LYS 5 3HZ LYS 5 -0.154 -7.856 7.110 41 H SER 6 H SER 6 4.127 -3.796 0.507 42 HA SER 6 HA SER 6 7.016 -3.599 0.666 43 HB2 SER 6 2HB SER 6 6.764 -4.378 -1.766 44 HB3 SER 6 1HB SER 6 6.326 -5.537 -0.509 45 HG SER 6 HG SER 6 4.785 -4.397 -2.438 46 H ILE 7 H ILE 7 8.081 -2.142 -0.812 47 HA ILE 7 HA ILE 7 6.719 0.330 -1.029 48 HB ILE 7 HB ILE 7 8.837 1.105 -2.245 49 HG12 ILE 7 2HG1 ILE 7 10.897 -0.301 -1.723 50 HG13 ILE 7 1HG1 ILE 7 9.818 -1.624 -1.345 51 HG21 ILE 7 1HG2 ILE 7 10.106 1.273 -0.164 52 HG22 ILE 7 2HG2 ILE 7 9.001 0.108 0.571 53 HG23 ILE 7 3HG2 ILE 7 8.398 1.667 0.021 54 HD11 ILE 7 1HD1 ILE 7 10.124 -0.289 -4.031 55 HD12 ILE 7 2HD1 ILE 7 9.026 -1.618 -3.668 56 HD13 ILE 7 3HD1 ILE 7 10.769 -1.863 -3.562 57 HA PRO 8 HA PRO 8 7.124 2.257 -2.228 58 HB2 PRO 8 2HB PRO 8 5.444 3.917 -3.507 59 HB3 PRO 8 1HB PRO 8 6.972 3.420 -4.246 60 HG2 PRO 8 2HG PRO 8 4.212 2.349 -4.711 61 HG3 PRO 8 1HG PRO 8 5.455 2.780 -5.901 62 HD2 PRO 8 2HD PRO 8 4.994 0.228 -5.086 63 HD3 PRO 8 1HD PRO 8 6.587 0.798 -5.617 64 HA PRO 9 HA PRO 9 3.653 2.167 0.652 65 HB2 PRO 9 2HB PRO 9 3.972 5.105 0.883 66 HB3 PRO 9 1HB PRO 9 4.051 3.874 2.146 67 HG2 PRO 9 2HG PRO 9 6.261 5.067 1.314 68 HG3 PRO 9 1HG PRO 9 6.259 3.328 1.658 69 HD2 PRO 9 2HD PRO 9 6.112 4.731 -0.987 70 HD3 PRO 9 1HD PRO 9 7.077 3.315 -0.511 71 H ARG 10 H ARG 10 1.763 1.861 -0.264 72 HA ARG 10 HA ARG 10 0.344 4.131 -1.389 73 HB2 ARG 10 2HB ARG 10 1.241 2.943 -3.285 74 HB3 ARG 10 1HB ARG 10 0.750 1.409 -2.594 75 HG2 ARG 10 2HG ARG 10 -1.574 1.954 -2.941 76 HG3 ARG 10 1HG ARG 10 -1.133 3.550 -3.551 77 HD2 ARG 10 2HD ARG 10 -1.613 1.858 -5.320 78 HD3 ARG 10 1HD ARG 10 -0.019 2.603 -5.438 79 HE ARG 10 HE ARG 10 0.691 0.501 -4.133 80 HH11 ARG 10 1HH1 ARG 10 -1.770 0.540 -6.663 81 HH12 ARG 10 2HH1 ARG 10 -1.492 -1.063 -7.138 82 HH21 ARG 10 1HH2 ARG 10 1.075 -1.659 -4.777 83 HH22 ARG 10 2HH2 ARG 10 0.201 -2.330 -6.063 84 H ALA 11 H PRG 11 -1.734 4.164 -0.645 85 HA ALA 11 HA PRG 11 -2.560 1.765 0.752 86 HB1 ALA 11 1HB PRG 11 -3.598 3.074 2.495 87 HB2 ALA 11 2HB PRG 11 -3.191 4.585 1.740 88 H PHE 12 H PHE 12 -4.706 1.412 0.848 89 HA PHE 12 HA PHE 12 -6.078 2.424 -1.551 90 HB2 PHE 12 2HB PHE 12 -6.398 -0.236 -0.142 91 HB3 PHE 12 1HB PHE 12 -7.266 0.263 -1.585 92 HD1 PHE 12 1HD PHE 12 -6.075 0.481 -3.731 93 HD2 PHE 12 2HD PHE 12 -4.143 -1.044 -0.260 94 HE1 PHE 12 1HE PHE 12 -4.285 -0.453 -5.132 95 HE2 PHE 12 2HE PHE 12 -2.351 -1.978 -1.658 96 HZ PHE 12 HZ PHE 12 -2.420 -1.682 -4.099 97 HA PRO 13 HA PRO 13 -9.020 4.422 1.030 98 HB2 PRO 13 2HB PRO 13 -11.267 4.163 -0.551 99 HB3 PRO 13 1HB PRO 13 -10.004 5.375 -0.793 100 HG2 PRO 13 2HG PRO 13 -10.376 2.729 -2.142 101 HG3 PRO 13 1HG PRO 13 -9.925 4.290 -2.852 102 HD2 PRO 13 2HD PRO 13 -8.095 2.420 -2.399 103 HD3 PRO 13 1HD PRO 13 -7.729 4.133 -2.100 104 H ASP 14 H ASP 14 -9.524 1.128 0.112 105 HA ASP 14 HA ASP 14 -11.907 0.779 1.720 106 HB2 ASP 14 2HB ASP 14 -11.868 -1.507 0.999 107 HB3 ASP 14 1HB ASP 14 -11.518 -0.491 -0.393 108 H1 WMH 101 1HG AZH 3 -2.385 2.103 5.133 109 H2 WMH 101 2HG AZH 3 -2.829 1.688 3.539 110 H5 WMH 101 HD PRG 11 -0.509 5.228 1.647 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -8.817 0.678 2.118 2 HA2 GLY 1 2HA GLY 1 -8.154 -0.316 4.303 3 HA3 GLY 1 1HA GLY 1 -9.327 -1.574 3.948 4 H ARG 2 H ARG 2 -6.335 -0.111 2.808 5 HA ARG 2 HA ARG 2 -5.088 -2.601 2.413 6 HB2 ARG 2 2HB ARG 2 -6.405 -2.714 0.374 7 HB3 ARG 2 1HB ARG 2 -5.899 -1.100 -0.088 8 HG2 ARG 2 2HG ARG 2 -4.698 -2.760 -1.393 9 HG3 ARG 2 1HG ARG 2 -3.587 -1.897 -0.335 10 HD2 ARG 2 2HD ARG 2 -3.639 -3.751 1.247 11 HD3 ARG 2 1HD ARG 2 -4.774 -4.613 0.210 12 HE ARG 2 HE ARG 2 -2.616 -4.062 -1.362 13 HH11 ARG 2 1HH1 ARG 2 -3.183 -5.865 1.643 14 HH12 ARG 2 2HH1 ARG 2 -1.915 -6.968 1.377 15 HH21 ARG 2 1HH2 ARG 2 -0.827 -5.659 -1.727 16 HH22 ARG 2 2HH2 ARG 2 -0.590 -6.856 -0.541 17 H ALA 3 H AZH 3 -3.028 -2.246 2.786 18 HA ALA 3 HA AZH 3 -1.723 0.098 1.739 19 HB1 ALA 3 1HB AZH 3 -0.472 -0.002 4.119 20 HB2 ALA 3 2HB AZH 3 -2.070 -0.527 4.624 21 H THR 4 H THR 4 0.222 -0.366 0.951 22 HA THR 4 HA THR 4 1.067 -3.079 1.324 23 HB THR 4 HB THR 4 2.673 -2.556 -0.546 24 HG1 THR 4 1HG THR 4 2.859 -0.594 -1.163 25 HG21 THR 4 1HG2 THR 4 -0.258 -2.076 -1.100 26 HG22 THR 4 2HG2 THR 4 0.533 -3.649 -0.988 27 HG23 THR 4 3HG2 THR 4 0.954 -2.538 -2.294 28 H LYS 5 H LYS 5 2.628 -3.602 2.619 29 HA LYS 5 HA LYS 5 4.049 -1.520 4.032 30 HB2 LYS 5 2HB LYS 5 4.216 -4.527 4.314 31 HB3 LYS 5 1HB LYS 5 4.919 -3.342 5.410 32 HG2 LYS 5 2HG LYS 5 2.633 -2.525 5.933 33 HG3 LYS 5 1HG LYS 5 1.981 -3.787 4.897 34 HD2 LYS 5 2HD LYS 5 1.869 -4.482 7.218 35 HD3 LYS 5 1HD LYS 5 3.025 -5.489 6.350 36 HE2 LYS 5 2HE LYS 5 3.875 -4.848 8.548 37 HE3 LYS 5 1HE LYS 5 4.876 -4.182 7.269 38 HZ1 LYS 5 1HZ LYS 5 2.816 -2.699 8.821 39 HZ2 LYS 5 2HZ LYS 5 3.735 -2.052 7.564 40 HZ3 LYS 5 3HZ LYS 5 4.489 -2.551 8.970 41 H SER 6 H SER 6 4.389 -3.138 1.240 42 HA SER 6 HA SER 6 7.251 -3.322 1.165 43 HB2 SER 6 2HB SER 6 6.622 -4.020 -1.210 44 HB3 SER 6 1HB SER 6 6.070 -5.071 0.097 45 HG SER 6 HG SER 6 4.649 -3.962 -1.756 46 H ILE 7 H ILE 7 8.288 -2.196 -0.770 47 HA ILE 7 HA ILE 7 7.131 0.457 -1.022 48 HB ILE 7 HB ILE 7 9.422 1.139 -1.836 49 HG12 ILE 7 2HG1 ILE 7 10.214 -1.590 -0.781 50 HG13 ILE 7 1HG1 ILE 7 10.258 -1.099 -2.470 51 HG21 ILE 7 1HG2 ILE 7 9.207 0.049 0.958 52 HG22 ILE 7 2HG2 ILE 7 8.695 1.643 0.407 53 HG23 ILE 7 3HG2 ILE 7 10.407 1.219 0.417 54 HD11 ILE 7 1HD1 ILE 7 11.977 0.555 -1.923 55 HD12 ILE 7 2HD1 ILE 7 12.476 -1.079 -1.475 56 HD13 ILE 7 3HD1 ILE 7 11.923 0.047 -0.236 57 HA PRO 8 HA PRO 8 7.043 2.138 -2.192 58 HB2 PRO 8 2HB PRO 8 5.091 2.981 -4.120 59 HB3 PRO 8 1HB PRO 8 6.736 3.581 -3.915 60 HG2 PRO 8 2HG PRO 8 5.854 2.152 -6.110 61 HG3 PRO 8 1HG PRO 8 7.543 2.279 -5.598 62 HD2 PRO 8 2HD PRO 8 5.580 0.068 -5.132 63 HD3 PRO 8 1HD PRO 8 7.311 -0.027 -5.524 64 HA PRO 9 HA PRO 9 3.220 0.995 -0.194 65 HB2 PRO 9 2HB PRO 9 2.840 3.192 1.332 66 HB3 PRO 9 1HB PRO 9 4.090 1.994 1.691 67 HG2 PRO 9 2HG PRO 9 4.337 4.654 0.364 68 HG3 PRO 9 1HG PRO 9 5.418 3.876 1.533 69 HD2 PRO 9 2HD PRO 9 5.860 3.940 -1.170 70 HD3 PRO 9 1HD PRO 9 6.502 2.684 -0.092 71 H ARG 10 H ARG 10 1.302 1.011 -1.043 72 HA ARG 10 HA ARG 10 0.120 3.505 -2.080 73 HB2 ARG 10 2HB ARG 10 -0.365 0.671 -3.070 74 HB3 ARG 10 1HB ARG 10 -1.111 2.127 -3.709 75 HG2 ARG 10 2HG ARG 10 1.819 1.436 -3.852 76 HG3 ARG 10 1HG ARG 10 0.658 1.309 -5.173 77 HD2 ARG 10 2HD ARG 10 1.399 3.854 -3.735 78 HD3 ARG 10 1HD ARG 10 2.055 3.355 -5.288 79 HE ARG 10 HE ARG 10 -0.615 3.327 -5.688 80 HH11 ARG 10 1HH1 ARG 10 1.640 5.800 -4.556 81 HH12 ARG 10 2HH1 ARG 10 0.705 7.116 -5.088 82 HH21 ARG 10 1HH2 ARG 10 -1.890 5.085 -6.447 83 HH22 ARG 10 2HH2 ARG 10 -1.392 6.699 -6.242 84 H ALA 11 H PRG 11 -1.631 4.052 -0.871 85 HA ALA 11 HA PRG 11 -2.867 1.837 0.557 86 HB1 ALA 11 1HB PRG 11 -3.371 3.254 2.454 87 HB2 ALA 11 2HB PRG 11 -2.654 4.651 1.711 88 H PHE 12 H PHE 12 -4.962 1.803 0.857 89 HA PHE 12 HA PHE 12 -6.565 3.581 -0.860 90 HB2 PHE 12 2HB PHE 12 -6.903 0.609 -0.411 91 HB3 PHE 12 1HB PHE 12 -8.019 1.618 -1.302 92 HD1 PHE 12 1HD PHE 12 -4.633 0.138 -1.336 93 HD2 PHE 12 2HD PHE 12 -7.607 2.219 -3.564 94 HE1 PHE 12 1HE PHE 12 -3.405 -0.332 -3.403 95 HE2 PHE 12 2HE PHE 12 -6.378 1.760 -5.633 96 HZ PHE 12 HZ PHE 12 -4.280 0.482 -5.563 97 HA PRO 13 HA PRO 13 -8.681 4.401 2.968 98 HB2 PRO 13 2HB PRO 13 -11.038 5.341 1.900 99 HB3 PRO 13 1HB PRO 13 -9.570 6.306 2.083 100 HG2 PRO 13 2HG PRO 13 -10.627 4.897 -0.327 101 HG3 PRO 13 1HG PRO 13 -9.864 6.493 -0.210 102 HD2 PRO 13 2HD PRO 13 -8.521 4.352 -1.113 103 HD3 PRO 13 1HD PRO 13 -7.726 5.603 -0.139 104 H ASP 14 H ASP 14 -9.947 2.255 0.550 105 HA ASP 14 HA ASP 14 -12.161 1.348 2.122 106 HB2 ASP 14 2HB ASP 14 -12.448 -0.440 0.489 107 HB3 ASP 14 1HB ASP 14 -12.152 1.073 -0.349 108 H1 WMH 101 1HG AZH 3 -2.250 1.843 4.889 109 H2 WMH 101 2HG AZH 3 -2.874 1.524 3.299 110 H5 WMH 101 HD PRG 11 0.089 4.569 1.343 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -8.918 0.527 2.086 2 HA2 GLY 1 2HA GLY 1 -7.861 0.062 4.402 3 HA3 GLY 1 1HA GLY 1 -9.049 -1.229 4.437 4 H ARG 2 H ARG 2 -6.319 0.016 2.597 5 HA ARG 2 HA ARG 2 -5.158 -2.563 2.513 6 HB2 ARG 2 2HB ARG 2 -6.638 -2.843 0.576 7 HB3 ARG 2 1HB ARG 2 -6.052 -1.341 -0.120 8 HG2 ARG 2 2HG ARG 2 -3.825 -2.306 -0.374 9 HG3 ARG 2 1HG ARG 2 -4.387 -3.808 0.356 10 HD2 ARG 2 2HD ARG 2 -5.952 -4.130 -1.493 11 HD3 ARG 2 1HD ARG 2 -5.451 -2.593 -2.186 12 HE ARG 2 HE ARG 2 -3.265 -3.541 -2.544 13 HH11 ARG 2 1HH1 ARG 2 -5.818 -5.923 -1.873 14 HH12 ARG 2 2HH1 ARG 2 -5.006 -7.177 -2.712 15 HH21 ARG 2 1HH2 ARG 2 -2.221 -5.276 -3.678 16 HH22 ARG 2 2HH2 ARG 2 -2.959 -6.815 -3.739 17 H ALA 3 H AZH 3 -3.332 -1.902 3.273 18 HA ALA 3 HA AZH 3 -1.862 0.168 1.824 19 HB1 ALA 3 1HB AZH 3 -0.656 0.264 4.208 20 HB2 ALA 3 2HB AZH 3 -2.248 -0.227 4.760 21 H THR 4 H THR 4 0.064 -0.462 1.100 22 HA THR 4 HA THR 4 0.757 -3.178 1.725 23 HB THR 4 HB THR 4 2.329 -2.982 -0.221 24 HG1 THR 4 1HG THR 4 2.413 -1.210 -1.385 25 HG21 THR 4 1HG2 THR 4 -0.561 -2.300 -0.765 26 HG22 THR 4 2HG2 THR 4 0.088 -3.916 -0.496 27 HG23 THR 4 3HG2 THR 4 0.565 -3.002 -1.927 28 H LYS 5 H LYS 5 2.716 -3.795 2.498 29 HA LYS 5 HA LYS 5 4.230 -1.685 3.805 30 HB2 LYS 5 2HB LYS 5 4.377 -4.690 4.108 31 HB3 LYS 5 1HB LYS 5 5.405 -3.561 4.979 32 HG2 LYS 5 2HG LYS 5 3.346 -2.560 5.972 33 HG3 LYS 5 1HG LYS 5 2.415 -3.842 5.196 34 HD2 LYS 5 2HD LYS 5 3.638 -5.524 6.452 35 HD3 LYS 5 1HD LYS 5 4.662 -4.279 7.165 36 HE2 LYS 5 2HE LYS 5 2.992 -4.897 8.778 37 HE3 LYS 5 1HE LYS 5 2.630 -3.277 8.198 38 HZ1 LYS 5 1HZ LYS 5 1.291 -5.787 7.361 39 HZ2 LYS 5 2HZ LYS 5 0.924 -4.264 6.728 40 HZ3 LYS 5 3HZ LYS 5 0.643 -4.601 8.359 41 H SER 6 H SER 6 4.229 -3.201 0.922 42 HA SER 6 HA SER 6 7.034 -3.441 0.553 43 HB2 SER 6 2HB SER 6 6.125 -3.723 -1.870 44 HB3 SER 6 1HB SER 6 5.775 -4.974 -0.674 45 HG SER 6 HG SER 6 4.101 -3.052 -1.811 46 H ILE 7 H ILE 7 8.040 -2.173 -1.282 47 HA ILE 7 HA ILE 7 7.256 0.637 -0.973 48 HB ILE 7 HB ILE 7 9.937 -0.549 -1.786 49 HG12 ILE 7 2HG1 ILE 7 9.476 -0.971 0.578 50 HG13 ILE 7 1HG1 ILE 7 10.758 0.219 0.407 51 HG21 ILE 7 1HG2 ILE 7 9.215 2.325 -1.218 52 HG22 ILE 7 2HG2 ILE 7 9.602 1.638 -2.796 53 HG23 ILE 7 3HG2 ILE 7 10.838 1.716 -1.539 54 HD11 ILE 7 1HD1 ILE 7 9.117 2.001 0.880 55 HD12 ILE 7 2HD1 ILE 7 9.282 0.845 2.198 56 HD13 ILE 7 3HD1 ILE 7 7.882 0.763 1.127 57 HA PRO 8 HA PRO 8 7.123 2.499 -1.919 58 HB2 PRO 8 2HB PRO 8 5.070 3.516 -3.703 59 HB3 PRO 8 1HB PRO 8 6.659 4.199 -3.369 60 HG2 PRO 8 2HG PRO 8 5.982 3.137 -5.781 61 HG3 PRO 8 1HG PRO 8 7.638 3.130 -5.152 62 HD2 PRO 8 2HD PRO 8 5.597 0.931 -5.130 63 HD3 PRO 8 1HD PRO 8 7.327 0.852 -5.529 64 HA PRO 9 HA PRO 9 3.515 0.878 0.142 65 HB2 PRO 9 2HB PRO 9 2.962 3.039 1.753 66 HB3 PRO 9 1HB PRO 9 4.188 1.823 2.113 67 HG2 PRO 9 2HG PRO 9 4.504 4.544 0.929 68 HG3 PRO 9 1HG PRO 9 5.542 3.708 2.094 69 HD2 PRO 9 2HD PRO 9 6.165 3.914 -0.524 70 HD3 PRO 9 1HD PRO 9 6.623 2.504 0.452 71 H ARG 10 H ARG 10 1.640 0.734 -0.833 72 HA ARG 10 HA ARG 10 0.376 3.167 -1.885 73 HB2 ARG 10 2HB ARG 10 0.111 0.305 -2.825 74 HB3 ARG 10 1HB ARG 10 -0.775 1.669 -3.484 75 HG2 ARG 10 2HG ARG 10 2.204 1.239 -3.598 76 HG3 ARG 10 1HG ARG 10 1.059 1.108 -4.936 77 HD2 ARG 10 2HD ARG 10 0.500 3.478 -4.670 78 HD3 ARG 10 1HD ARG 10 1.665 3.599 -3.354 79 HE ARG 10 HE ARG 10 2.792 2.625 -5.773 80 HH11 ARG 10 1HH1 ARG 10 1.905 5.550 -3.980 81 HH12 ARG 10 2HH1 ARG 10 2.917 6.596 -4.840 82 HH21 ARG 10 1HH2 ARG 10 4.263 4.073 -6.969 83 HH22 ARG 10 2HH2 ARG 10 4.285 5.727 -6.585 84 H ALA 11 H PRG 11 -1.566 3.687 -1.103 85 HA ALA 11 HA PRG 11 -2.851 1.642 0.518 86 HB1 ALA 11 1HB PRG 11 -3.506 3.256 2.188 87 HB2 ALA 11 2HB PRG 11 -2.792 4.581 1.325 88 H PHE 12 H PHE 12 -4.997 1.706 0.684 89 HA PHE 12 HA PHE 12 -6.419 3.311 -1.312 90 HB2 PHE 12 2HB PHE 12 -6.854 0.372 -0.704 91 HB3 PHE 12 1HB PHE 12 -7.845 1.336 -1.780 92 HD1 PHE 12 1HD PHE 12 -7.112 1.870 -4.004 93 HD2 PHE 12 2HD PHE 12 -4.544 -0.250 -1.358 94 HE1 PHE 12 1HE PHE 12 -5.658 1.289 -5.889 95 HE2 PHE 12 2HE PHE 12 -3.076 -0.834 -3.249 96 HZ PHE 12 HZ PHE 12 -3.631 -0.067 -5.515 97 HA PRO 13 HA PRO 13 -8.966 4.969 1.854 98 HB2 PRO 13 2HB PRO 13 -11.146 4.056 0.040 99 HB3 PRO 13 1HB PRO 13 -10.974 5.592 0.887 100 HG2 PRO 13 2HG PRO 13 -10.328 5.441 -1.666 101 HG3 PRO 13 1HG PRO 13 -9.295 6.340 -0.541 102 HD2 PRO 13 2HD PRO 13 -8.827 3.709 -1.835 103 HD3 PRO 13 1HD PRO 13 -7.667 4.947 -1.319 104 H ASP 14 H ASP 14 -10.554 2.028 0.551 105 HA ASP 14 HA ASP 14 -12.062 1.683 2.927 106 HB2 ASP 14 2HB ASP 14 -13.007 -0.315 2.013 107 HB3 ASP 14 1HB ASP 14 -12.833 0.832 0.696 108 H1 WMH 101 1HG AZH 3 -2.473 2.145 4.826 109 H2 WMH 101 2HG AZH 3 -3.028 1.709 3.244 110 H5 WMH 101 HD PRG 11 -0.049 4.619 1.160
Contact the webmaster for help, if required. Sunday, June 16, 2024 2:32:01 PM GMT (wattos1)