NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21841 | 2i9m | 7282 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA SER 1 HA SER 1 14.137 10.745 11.668 2 HG SER 1 HG SER 1 10.922 10.931 11.022 3 H1 SER 1 1H SER 1 14.127 9.647 8.943 4 HB2 SER 1 1HB SER 1 11.952 9.265 10.291 5 HB3 SER 1 2HB SER 1 12.254 8.870 11.983 6 H ALA 2 H ALA 2 14.430 9.083 13.342 7 HA ALA 2 HA ALA 2 16.625 7.437 12.826 8 HB1 ALA 2 3HB ALA 2 16.478 6.737 15.047 9 HB2 ALA 2 1HB ALA 2 15.764 8.350 15.061 10 HB3 ALA 2 2HB ALA 2 14.725 6.924 15.088 11 H ALA 3 H ALA 3 13.177 6.644 13.063 12 HA ALA 3 HA ALA 3 13.523 3.845 12.703 13 HB1 ALA 3 3HB ALA 3 11.369 5.622 13.216 14 HB2 ALA 3 1HB ALA 3 10.942 4.628 11.823 15 HB3 ALA 3 2HB ALA 3 11.401 3.863 13.345 16 H GLU 4 H GLU 4 13.626 6.495 10.562 17 HA GLU 4 HA GLU 4 12.894 4.939 8.219 18 HB2 GLU 4 1HB GLU 4 13.907 7.780 8.441 19 HB3 GLU 4 2HB GLU 4 13.297 7.021 6.977 20 HG2 GLU 4 1HG GLU 4 11.559 7.118 9.392 21 HG3 GLU 4 2HG GLU 4 11.772 8.572 8.419 22 H ALA 5 H ALA 5 15.711 5.826 9.974 23 HA ALA 5 HA ALA 5 17.498 5.251 7.742 24 HB1 ALA 5 3HB ALA 5 19.221 5.677 9.692 25 HB2 ALA 5 1HB ALA 5 18.403 7.013 8.881 26 HB3 ALA 5 2HB ALA 5 17.823 6.445 10.447 27 H TYR 6 H TYR 6 16.357 3.830 10.727 28 HA TYR 6 HA TYR 6 18.308 1.725 10.769 29 HD1 TYR 6 HD2 TYR 6 18.305 -0.287 13.007 30 HD2 TYR 6 HD1 TYR 6 14.239 0.744 12.297 31 HE1 TYR 6 HE2 TYR 6 17.625 -2.567 13.626 32 HE2 TYR 6 HE1 TYR 6 13.547 -1.533 12.915 33 HH TYR 6 HH TYR 6 14.684 -3.438 14.488 34 HB2 TYR 6 1HB TYR 6 17.529 2.094 12.900 35 HB3 TYR 6 2HB TYR 6 15.891 2.442 12.359 36 H ALA 7 H ALA 7 14.761 1.457 10.582 37 HA ALA 7 HA ALA 7 14.514 -1.077 9.662 38 HB1 ALA 7 3HB ALA 7 12.903 1.381 9.160 39 HB2 ALA 7 1HB ALA 7 12.492 -0.108 8.309 40 HB3 ALA 7 2HB ALA 7 12.491 -0.070 10.073 41 H LYS 8 H LYS 8 15.331 1.762 7.734 42 HA LYS 8 HA LYS 8 15.087 0.892 5.174 43 HB2 LYS 8 1HB LYS 8 16.273 3.032 6.322 44 HB3 LYS 8 2HB LYS 8 17.696 2.159 5.768 45 HG2 LYS 8 1HG LYS 8 17.232 3.543 3.986 46 HG3 LYS 8 2HG LYS 8 16.446 2.037 3.507 47 HD2 LYS 8 1HD LYS 8 14.368 2.914 3.679 48 HD3 LYS 8 2HD LYS 8 14.791 3.911 5.073 49 HE2 LYS 8 1HE LYS 8 16.185 4.784 2.701 50 HE3 LYS 8 2HE LYS 8 14.442 4.753 2.437 51 HZ1 LYS 8 3HZ LYS 8 14.735 5.884 4.904 52 HZ2 LYS 8 1HZ LYS 8 14.410 6.707 3.462 53 HZ3 LYS 8 2HZ LYS 8 16.003 6.555 4.008 54 H ARG 9 H ARG 9 18.065 0.439 7.092 55 HA ARG 9 HA ARG 9 19.357 -1.244 5.281 56 HE ARG 9 HE ARG 9 21.367 2.598 7.374 57 HB2 ARG 9 1HB ARG 9 19.811 -1.718 8.177 58 HB3 ARG 9 2HB ARG 9 20.974 -1.479 6.879 59 HG2 ARG 9 1HG ARG 9 19.882 0.971 6.963 60 HG3 ARG 9 2HG ARG 9 19.673 0.485 8.647 61 HD2 ARG 9 1HD ARG 9 21.878 0.581 9.076 62 HD3 ARG 9 2HD ARG 9 22.311 -0.121 7.518 63 HH11 ARG 9 2HH1 ARG 9 24.130 0.522 7.795 64 HH12 ARG 9 1HH1 ARG 9 25.271 1.716 7.270 65 HH21 ARG 9 2HH2 ARG 9 22.859 4.178 6.681 66 HH22 ARG 9 1HH2 ARG 9 24.547 3.796 6.638 67 H ILE 10 H ILE 10 17.708 -2.213 8.296 68 HA ILE 10 HA ILE 10 17.804 -4.883 8.220 69 HB ILE 10 HB ILE 10 15.078 -3.709 8.593 70 HG12 ILE 10 1HG1 ILE 10 16.377 -2.016 9.627 71 HG13 ILE 10 2HG1 ILE 10 15.861 -3.075 10.935 72 HG21 ILE 10 1HG2 ILE 10 15.183 -5.237 10.596 73 HG22 ILE 10 2HG2 ILE 10 15.234 -6.032 9.024 74 HG23 ILE 10 3HG2 ILE 10 16.716 -5.831 9.959 75 HD11 ILE 10 3HD1 ILE 10 18.493 -2.316 10.169 76 HD12 ILE 10 1HD1 ILE 10 17.970 -3.282 11.548 77 HD13 ILE 10 2HD1 ILE 10 18.326 -4.064 10.008 78 H ALA 11 H ALA 11 14.965 -3.305 6.753 79 HA ALA 11 HA ALA 11 13.845 -5.306 5.380 80 HB1 ALA 11 3HB ALA 11 14.120 -2.429 4.848 81 HB2 ALA 11 1HB ALA 11 13.665 -3.413 3.457 82 HB3 ALA 11 2HB ALA 11 12.677 -3.440 4.919 83 H GLU 12 H GLU 12 16.675 -3.489 4.233 84 HA GLU 12 HA GLU 12 16.969 -4.841 1.786 85 HB2 GLU 12 1HB GLU 12 18.544 -2.988 3.410 86 HB3 GLU 12 2HB GLU 12 19.535 -4.115 2.495 87 HG2 GLU 12 1HG GLU 12 17.893 -3.388 0.546 88 HG3 GLU 12 2HG GLU 12 17.760 -1.944 1.547 89 H ALA 13 H ALA 13 18.944 -5.231 4.734 90 HA ALA 13 HA ALA 13 20.334 -7.492 3.972 91 HB1 ALA 13 3HB ALA 13 19.695 -6.179 6.514 92 HB2 ALA 13 1HB ALA 13 20.071 -7.898 6.646 93 HB3 ALA 13 2HB ALA 13 21.232 -6.795 5.906 94 H MET 14 H MET 14 17.024 -7.196 4.914 95 HA MET 14 HA MET 14 16.699 -10.024 5.459 96 HB2 MET 14 1HB MET 14 14.697 -7.767 5.283 97 HB3 MET 14 2HB MET 14 14.290 -9.423 5.712 98 HG2 MET 14 1HG MET 14 16.376 -8.723 7.419 99 HG3 MET 14 2HG MET 14 15.335 -7.303 7.350 100 HE1 MET 14 3HE MET 14 15.770 -9.135 10.147 101 HE2 MET 14 1HE MET 14 14.832 -10.629 10.111 102 HE3 MET 14 2HE MET 14 16.160 -10.394 8.973 103 H ALA 15 H ALA 15 17.521 -8.890 2.763 104 HA ALA 15 HA ALA 15 15.498 -10.341 1.190 105 HB1 ALA 15 3HB ALA 15 15.419 -7.808 0.946 106 HB2 ALA 15 1HB ALA 15 16.968 -7.952 0.115 107 HB3 ALA 15 2HB ALA 15 15.539 -8.752 -0.539 108 H LYS 16 H LYS 16 18.691 -8.845 0.638 109 HA LYS 16 HA LYS 16 20.452 -9.612 -0.633 110 HB2 LYS 16 1HB LYS 16 20.753 -10.518 1.702 111 HB3 LYS 16 2HB LYS 16 20.082 -12.039 1.127 112 HG2 LYS 16 1HG LYS 16 21.911 -12.189 -0.519 113 HG3 LYS 16 2HG LYS 16 22.602 -10.710 0.152 114 HD2 LYS 16 1HD LYS 16 23.640 -11.901 1.715 115 HD3 LYS 16 2HD LYS 16 22.087 -12.502 2.298 116 HE2 LYS 16 1HE LYS 16 22.891 -14.513 1.711 117 HE3 LYS 16 2HE LYS 16 22.452 -14.024 0.075 118 HZ1 LYS 16 3HZ LYS 16 24.585 -14.405 -0.390 119 HZ2 LYS 16 1HZ LYS 16 25.053 -14.405 1.236 120 HZ3 LYS 16 2HZ LYS 16 24.911 -12.943 0.397 121 H GLY 17 H GLY 17 18.327 -9.931 -2.211 122 HA2 GLY 17 1HA GLY 17 18.492 -12.701 -3.216 123 HA3 GLY 17 2HA GLY 17 17.128 -11.624 -3.478 Start of MODEL 2 1 HA SER 1 HA SER 1 15.068 10.634 12.269 2 HG SER 1 HG SER 1 12.809 10.483 13.853 3 H1 SER 1 1H SER 1 13.878 10.118 9.754 4 HB2 SER 1 1HB SER 1 12.579 10.391 11.744 5 HB3 SER 1 2HB SER 1 12.848 8.648 11.777 6 H ALA 2 H ALA 2 15.061 8.680 13.928 7 HA ALA 2 HA ALA 2 17.226 6.992 13.119 8 HB1 ALA 2 3HB ALA 2 16.806 5.992 15.457 9 HB2 ALA 2 1HB ALA 2 17.361 7.663 15.340 10 HB3 ALA 2 2HB ALA 2 15.659 7.318 15.651 11 H ALA 3 H ALA 3 13.803 6.705 13.148 12 HA ALA 3 HA ALA 3 13.868 3.791 13.033 13 HB1 ALA 3 3HB ALA 3 11.502 3.854 13.204 14 HB2 ALA 3 1HB ALA 3 12.127 5.048 14.343 15 HB3 ALA 3 2HB ALA 3 11.451 5.570 12.799 16 H GLU 4 H GLU 4 13.959 6.446 10.924 17 HA GLU 4 HA GLU 4 12.802 4.977 8.684 18 HB2 GLU 4 1HB GLU 4 12.621 6.982 7.576 19 HB3 GLU 4 2HB GLU 4 12.524 7.535 9.242 20 HG2 GLU 4 1HG GLU 4 14.831 8.195 9.216 21 HG3 GLU 4 2HG GLU 4 15.050 7.503 7.610 22 H ALA 5 H ALA 5 15.859 5.768 10.049 23 HA ALA 5 HA ALA 5 17.305 5.147 7.592 24 HB1 ALA 5 3HB ALA 5 19.243 5.951 8.653 25 HB2 ALA 5 1HB ALA 5 17.950 7.035 9.169 26 HB3 ALA 5 2HB ALA 5 18.535 5.778 10.260 27 H TYR 6 H TYR 6 16.395 3.697 10.604 28 HA TYR 6 HA TYR 6 18.339 1.573 10.466 29 HD1 TYR 6 HD2 TYR 6 18.503 -0.488 12.614 30 HD2 TYR 6 HD1 TYR 6 14.418 0.689 12.442 31 HE1 TYR 6 HE2 TYR 6 17.827 -2.758 13.278 32 HE2 TYR 6 HE1 TYR 6 13.731 -1.577 13.106 33 HH TYR 6 HH TYR 6 15.761 -4.214 13.015 34 HB2 TYR 6 1HB TYR 6 17.785 1.930 12.667 35 HB3 TYR 6 2HB TYR 6 16.110 2.325 12.294 36 H ALA 7 H ALA 7 14.783 1.394 10.607 37 HA ALA 7 HA ALA 7 14.419 -1.140 9.685 38 HB1 ALA 7 3HB ALA 7 12.219 -0.345 8.783 39 HB2 ALA 7 1HB ALA 7 12.548 0.113 10.455 40 HB3 ALA 7 2HB ALA 7 12.733 1.299 9.162 41 H LYS 8 H LYS 8 15.248 1.691 7.806 42 HA LYS 8 HA LYS 8 14.636 0.868 5.240 43 HB2 LYS 8 1HB LYS 8 15.681 3.085 6.112 44 HB3 LYS 8 2HB LYS 8 17.220 2.281 5.828 45 HG2 LYS 8 1HG LYS 8 16.850 3.482 3.877 46 HG3 LYS 8 2HG LYS 8 16.333 1.846 3.462 47 HD2 LYS 8 1HD LYS 8 13.991 2.700 4.248 48 HD3 LYS 8 2HD LYS 8 14.689 4.294 3.949 49 HE2 LYS 8 1HE LYS 8 14.886 3.928 1.682 50 HE3 LYS 8 2HE LYS 8 14.942 2.175 1.863 51 HZ1 LYS 8 3HZ LYS 8 12.743 2.032 1.673 52 HZ2 LYS 8 1HZ LYS 8 12.771 3.630 1.118 53 HZ3 LYS 8 2HZ LYS 8 12.463 3.306 2.749 54 H ARG 9 H ARG 9 17.808 0.484 6.835 55 HA ARG 9 HA ARG 9 18.970 -1.125 4.882 56 HE ARG 9 HE ARG 9 20.979 2.634 8.167 57 HB2 ARG 9 1HB ARG 9 19.689 -1.653 7.716 58 HB3 ARG 9 2HB ARG 9 20.727 -1.361 6.327 59 HG2 ARG 9 1HG ARG 9 19.595 1.060 6.560 60 HG3 ARG 9 2HG ARG 9 19.545 0.536 8.244 61 HD2 ARG 9 1HD ARG 9 21.995 -0.065 7.978 62 HD3 ARG 9 2HD ARG 9 21.944 0.821 6.454 63 HH11 ARG 9 2HH1 ARG 9 23.770 0.559 8.333 64 HH12 ARG 9 1HH1 ARG 9 24.696 1.664 9.294 65 HH21 ARG 9 2HH2 ARG 9 22.189 4.097 9.432 66 HH22 ARG 9 1HH2 ARG 9 23.796 3.676 9.919 67 H ILE 10 H ILE 10 17.537 -2.183 7.976 68 HA ILE 10 HA ILE 10 17.716 -4.848 7.873 69 HB ILE 10 HB ILE 10 14.974 -3.767 8.380 70 HG12 ILE 10 1HG1 ILE 10 16.263 -2.039 9.368 71 HG13 ILE 10 2HG1 ILE 10 15.842 -3.123 10.689 72 HG21 ILE 10 1HG2 ILE 10 15.218 -5.304 10.363 73 HG22 ILE 10 2HG2 ILE 10 15.227 -6.087 8.784 74 HG23 ILE 10 3HG2 ILE 10 16.740 -5.843 9.654 75 HD11 ILE 10 3HD1 ILE 10 18.251 -4.109 9.780 76 HD12 ILE 10 1HD1 ILE 10 18.438 -2.359 9.668 77 HD13 ILE 10 2HD1 ILE 10 17.998 -3.102 11.206 78 H ALA 11 H ALA 11 14.764 -3.355 6.550 79 HA ALA 11 HA ALA 11 13.647 -5.383 5.214 80 HB1 ALA 11 3HB ALA 11 13.695 -2.513 4.848 81 HB2 ALA 11 1HB ALA 11 13.467 -3.364 3.319 82 HB3 ALA 11 2HB ALA 11 12.361 -3.652 4.663 83 H GLU 12 H GLU 12 16.358 -3.464 3.951 84 HA GLU 12 HA GLU 12 16.584 -4.789 1.483 85 HB2 GLU 12 1HB GLU 12 18.172 -2.899 3.049 86 HB3 GLU 12 2HB GLU 12 19.157 -3.989 2.084 87 HG2 GLU 12 1HG GLU 12 17.408 -3.301 0.214 88 HG3 GLU 12 2HG GLU 12 17.275 -1.868 1.232 89 H ALA 13 H ALA 13 18.701 -5.141 4.336 90 HA ALA 13 HA ALA 13 20.126 -7.350 3.491 91 HB1 ALA 13 3HB ALA 13 21.069 -6.581 5.388 92 HB2 ALA 13 1HB ALA 13 19.521 -6.121 6.099 93 HB3 ALA 13 2HB ALA 13 20.048 -7.804 6.147 94 H MET 14 H MET 14 16.831 -7.171 4.331 95 HA MET 14 HA MET 14 16.615 -10.007 4.962 96 HB2 MET 14 1HB MET 14 14.540 -7.814 4.833 97 HB3 MET 14 2HB MET 14 14.191 -9.484 5.260 98 HG2 MET 14 1HG MET 14 16.107 -9.026 7.036 99 HG3 MET 14 2HG MET 14 15.553 -7.367 6.816 100 HE1 MET 14 3HE MET 14 12.587 -7.509 6.265 101 HE2 MET 14 1HE MET 14 11.805 -7.575 7.845 102 HE3 MET 14 2HE MET 14 13.158 -6.476 7.577 103 H ALA 15 H ALA 15 17.375 -8.897 2.261 104 HA ALA 15 HA ALA 15 15.373 -10.407 0.724 105 HB1 ALA 15 3HB ALA 15 16.556 -7.731 0.016 106 HB2 ALA 15 1HB ALA 15 15.729 -8.767 -1.148 107 HB3 ALA 15 2HB ALA 15 14.856 -8.138 0.251 108 H LYS 16 H LYS 16 18.048 -11.072 1.816 109 HA LYS 16 HA LYS 16 19.399 -11.693 -0.729 110 HB2 LYS 16 1HB LYS 16 20.420 -10.272 1.452 111 HB3 LYS 16 2HB LYS 16 21.133 -11.874 1.587 112 HG2 LYS 16 1HG LYS 16 21.430 -11.305 -1.081 113 HG3 LYS 16 2HG LYS 16 21.679 -9.737 -0.310 114 HD2 LYS 16 1HD LYS 16 23.084 -11.557 1.271 115 HD3 LYS 16 2HD LYS 16 23.414 -12.045 -0.393 116 HE2 LYS 16 1HE LYS 16 25.075 -10.490 -0.031 117 HE3 LYS 16 2HE LYS 16 23.817 -9.494 -0.761 118 HZ1 LYS 16 3HZ LYS 16 24.909 -9.414 1.905 119 HZ2 LYS 16 1HZ LYS 16 23.218 -9.356 1.861 120 HZ3 LYS 16 2HZ LYS 16 24.127 -8.204 1.019 121 H GLY 17 H GLY 17 20.977 -13.639 -0.361 122 HA2 GLY 17 1HA GLY 17 20.187 -15.608 1.554 123 HA3 GLY 17 2HA GLY 17 19.506 -15.941 -0.032 Start of MODEL 3 1 HA SER 1 HA SER 1 14.022 10.407 12.270 2 HG SER 1 HG SER 1 12.252 10.182 13.593 3 H1 SER 1 1H SER 1 13.241 9.839 9.584 4 HB2 SER 1 1HB SER 1 11.720 9.345 10.938 5 HB3 SER 1 2HB SER 1 12.179 8.245 12.236 6 H ALA 2 H ALA 2 14.048 8.469 13.876 7 HA ALA 2 HA ALA 2 16.361 6.911 13.236 8 HB1 ALA 2 3HB ALA 2 15.868 5.893 15.531 9 HB2 ALA 2 1HB ALA 2 16.254 7.613 15.463 10 HB3 ALA 2 2HB ALA 2 14.578 7.091 15.642 11 H ALA 3 H ALA 3 12.961 6.422 13.031 12 HA ALA 3 HA ALA 3 13.190 3.521 12.935 13 HB1 ALA 3 3HB ALA 3 11.155 5.278 13.672 14 HB2 ALA 3 1HB ALA 3 10.603 4.536 12.170 15 HB3 ALA 3 2HB ALA 3 11.052 3.522 13.542 16 H GLU 4 H GLU 4 13.454 6.119 10.810 17 HA GLU 4 HA GLU 4 12.590 4.551 8.490 18 HB2 GLU 4 1HB GLU 4 12.303 6.515 7.347 19 HB3 GLU 4 2HB GLU 4 12.040 7.091 8.987 20 HG2 GLU 4 1HG GLU 4 14.283 7.943 9.105 21 HG3 GLU 4 2HG GLU 4 14.670 7.243 7.534 22 H ALA 5 H ALA 5 15.405 5.641 10.137 23 HA ALA 5 HA ALA 5 17.149 5.170 7.850 24 HB1 ALA 5 3HB ALA 5 18.544 6.579 8.854 25 HB2 ALA 5 1HB ALA 5 17.294 6.848 10.069 26 HB3 ALA 5 2HB ALA 5 18.536 5.625 10.337 27 H TYR 6 H TYR 6 15.995 3.554 10.667 28 HA TYR 6 HA TYR 6 18.139 1.603 10.702 29 HD1 TYR 6 HD1 TYR 6 18.302 -0.534 12.555 30 HD2 TYR 6 HD2 TYR 6 14.174 0.491 12.687 31 HE1 TYR 6 HE1 TYR 6 17.751 -2.854 13.159 32 HE2 TYR 6 HE2 TYR 6 13.612 -1.826 13.292 33 HH TYR 6 HH TYR 6 15.870 -4.049 14.350 34 HB2 TYR 6 1HB TYR 6 17.411 1.899 12.861 35 HB3 TYR 6 2HB TYR 6 15.742 2.175 12.377 36 H ALA 7 H ALA 7 14.611 1.127 10.649 37 HA ALA 7 HA ALA 7 14.522 -1.405 9.649 38 HB1 ALA 7 3HB ALA 7 12.505 -0.390 10.361 39 HB2 ALA 7 1HB ALA 7 12.644 0.894 9.159 40 HB3 ALA 7 2HB ALA 7 12.297 -0.759 8.649 41 H LYS 8 H LYS 8 15.039 1.569 7.848 42 HA LYS 8 HA LYS 8 14.630 0.834 5.258 43 HB2 LYS 8 1HB LYS 8 15.344 3.055 5.724 44 HB3 LYS 8 2HB LYS 8 16.844 2.496 6.453 45 HG2 LYS 8 1HG LYS 8 17.892 2.326 4.477 46 HG3 LYS 8 2HG LYS 8 16.461 1.701 3.654 47 HD2 LYS 8 1HD LYS 8 15.607 3.838 3.261 48 HD3 LYS 8 2HD LYS 8 16.627 4.574 4.500 49 HE2 LYS 8 1HE LYS 8 18.608 4.060 3.098 50 HE3 LYS 8 2HE LYS 8 17.524 3.464 1.843 51 HZ1 LYS 8 3HZ LYS 8 16.528 5.660 1.709 52 HZ2 LYS 8 1HZ LYS 8 18.194 5.746 1.426 53 HZ3 LYS 8 2HZ LYS 8 17.563 6.232 2.918 54 H ARG 9 H ARG 9 17.808 0.521 6.857 55 HA ARG 9 HA ARG 9 19.018 -1.008 4.871 56 HE ARG 9 HE ARG 9 21.209 2.332 5.927 57 HB2 ARG 9 1HB ARG 9 19.775 -1.556 7.692 58 HB3 ARG 9 2HB ARG 9 20.793 -1.202 6.302 59 HG2 ARG 9 1HG ARG 9 19.570 1.170 6.581 60 HG3 ARG 9 2HG ARG 9 19.551 0.618 8.257 61 HD2 ARG 9 1HD ARG 9 21.701 1.127 8.479 62 HD3 ARG 9 2HD ARG 9 22.114 0.073 7.127 63 HH11 ARG 9 2HH1 ARG 9 23.631 1.679 8.341 64 HH12 ARG 9 1HH1 ARG 9 24.634 3.016 7.884 65 HH21 ARG 9 2HH2 ARG 9 22.521 4.095 5.315 66 HH22 ARG 9 1HH2 ARG 9 24.001 4.390 6.163 67 H ILE 10 H ILE 10 17.675 -2.185 7.963 68 HA ILE 10 HA ILE 10 17.952 -4.838 7.795 69 HB ILE 10 HB ILE 10 15.183 -3.874 8.381 70 HG12 ILE 10 1HG1 ILE 10 16.426 -2.121 9.383 71 HG13 ILE 10 2HG1 ILE 10 16.073 -3.250 10.687 72 HG21 ILE 10 1HG2 ILE 10 15.527 -5.445 10.323 73 HG22 ILE 10 2HG2 ILE 10 15.527 -6.191 8.726 74 HG23 ILE 10 3HG2 ILE 10 17.051 -5.911 9.568 75 HD11 ILE 10 3HD1 ILE 10 18.524 -4.063 9.608 76 HD12 ILE 10 1HD1 ILE 10 18.598 -2.306 9.733 77 HD13 ILE 10 2HD1 ILE 10 18.230 -3.277 11.159 78 H ALA 11 H ALA 11 14.919 -3.429 6.566 79 HA ALA 11 HA ALA 11 13.850 -5.466 5.205 80 HB1 ALA 11 3HB ALA 11 13.472 -3.490 3.355 81 HB2 ALA 11 1HB ALA 11 12.511 -3.716 4.817 82 HB3 ALA 11 2HB ALA 11 13.852 -2.570 4.811 83 H GLU 12 H GLU 12 16.464 -3.421 3.932 84 HA GLU 12 HA GLU 12 16.688 -4.683 1.431 85 HB2 GLU 12 1HB GLU 12 18.237 -2.770 3.009 86 HB3 GLU 12 2HB GLU 12 19.241 -3.802 2.000 87 HG2 GLU 12 1HG GLU 12 17.431 -3.139 0.181 88 HG3 GLU 12 2HG GLU 12 17.268 -1.733 1.232 89 H ALA 13 H ALA 13 18.875 -5.018 4.233 90 HA ALA 13 HA ALA 13 20.332 -7.181 3.289 91 HB1 ALA 13 3HB ALA 13 20.314 -7.598 5.996 92 HB2 ALA 13 1HB ALA 13 21.393 -6.500 5.134 93 HB3 ALA 13 2HB ALA 13 19.913 -5.885 5.870 94 H MET 14 H MET 14 17.089 -7.079 4.348 95 HA MET 14 HA MET 14 17.008 -9.964 4.844 96 HB2 MET 14 1HB MET 14 15.009 -7.756 5.319 97 HB3 MET 14 2HB MET 14 14.605 -9.458 5.498 98 HG2 MET 14 1HG MET 14 16.954 -9.073 6.969 99 HG3 MET 14 2HG MET 14 15.920 -7.693 7.331 100 HE1 MET 14 3HE MET 14 16.468 -11.277 7.081 101 HE2 MET 14 1HE MET 14 15.777 -11.921 8.571 102 HE3 MET 14 2HE MET 14 14.813 -11.889 7.094 103 H ALA 15 H ALA 15 17.383 -8.738 2.172 104 HA ALA 15 HA ALA 15 15.056 -9.975 0.856 105 HB1 ALA 15 3HB ALA 15 14.674 -8.203 -0.467 106 HB2 ALA 15 1HB ALA 15 15.536 -7.305 0.782 107 HB3 ALA 15 2HB ALA 15 16.390 -7.849 -0.662 108 H LYS 16 H LYS 16 18.478 -9.115 0.628 109 HA LYS 16 HA LYS 16 19.281 -10.154 -1.726 110 HB2 LYS 16 1HB LYS 16 21.417 -10.403 -0.832 111 HB3 LYS 16 2HB LYS 16 20.677 -9.231 0.251 112 HG2 LYS 16 1HG LYS 16 20.042 -11.454 1.571 113 HG3 LYS 16 2HG LYS 16 21.494 -12.029 0.749 114 HD2 LYS 16 1HD LYS 16 21.582 -9.387 2.122 115 HD3 LYS 16 2HD LYS 16 21.628 -10.852 3.105 116 HE2 LYS 16 1HE LYS 16 23.415 -11.142 0.894 117 HE3 LYS 16 2HE LYS 16 23.747 -9.614 1.707 118 HZ1 LYS 16 3HZ LYS 16 24.897 -11.757 2.523 119 HZ2 LYS 16 1HZ LYS 16 23.421 -12.077 3.286 120 HZ3 LYS 16 2HZ LYS 16 24.281 -10.672 3.666 121 H GLY 17 H GLY 17 18.196 -11.984 1.060 122 HA2 GLY 17 1HA GLY 17 19.066 -14.536 0.242 123 HA3 GLY 17 2HA GLY 17 17.736 -14.214 1.345 Start of MODEL 4 1 HA SER 1 HA SER 1 14.483 10.598 11.285 2 HG SER 1 HG SER 1 12.277 11.491 11.849 3 H1 SER 1 1H SER 1 13.161 9.785 8.969 4 HB2 SER 1 1HB SER 1 11.901 9.654 10.607 5 HB3 SER 1 2HB SER 1 12.468 8.663 11.951 6 H ALA 2 H ALA 2 14.464 8.949 13.278 7 HA ALA 2 HA ALA 2 16.684 7.277 12.924 8 HB1 ALA 2 3HB ALA 2 16.431 6.665 15.178 9 HB2 ALA 2 1HB ALA 2 15.813 8.314 15.078 10 HB3 ALA 2 2HB ALA 2 14.692 6.954 15.149 11 H ALA 3 H ALA 3 13.223 6.528 13.089 12 HA ALA 3 HA ALA 3 13.605 3.703 12.838 13 HB1 ALA 3 3HB ALA 3 11.588 5.069 13.811 14 HB2 ALA 3 1HB ALA 3 11.017 5.005 12.144 15 HB3 ALA 3 2HB ALA 3 11.327 3.511 13.028 16 H GLU 4 H GLU 4 13.579 6.314 10.645 17 HA GLU 4 HA GLU 4 12.783 4.711 8.358 18 HB2 GLU 4 1HB GLU 4 13.773 7.563 8.522 19 HB3 GLU 4 2HB GLU 4 13.171 6.782 7.067 20 HG2 GLU 4 1HG GLU 4 11.203 6.446 9.056 21 HG3 GLU 4 2HG GLU 4 11.723 8.130 9.114 22 H ALA 5 H ALA 5 15.662 5.660 9.985 23 HA ALA 5 HA ALA 5 17.372 5.055 7.705 24 HB1 ALA 5 3HB ALA 5 18.714 5.472 10.254 25 HB2 ALA 5 1HB ALA 5 18.915 6.311 8.715 26 HB3 ALA 5 2HB ALA 5 17.628 6.793 9.822 27 H TYR 6 H TYR 6 16.289 3.627 10.698 28 HA TYR 6 HA TYR 6 18.260 1.543 10.735 29 HD1 TYR 6 HD2 TYR 6 18.272 -0.542 12.769 30 HD2 TYR 6 HD1 TYR 6 14.181 0.576 12.434 31 HE1 TYR 6 HE2 TYR 6 17.603 -2.830 13.374 32 HE2 TYR 6 HE1 TYR 6 13.500 -1.709 13.039 33 HH TYR 6 HH TYR 6 15.264 -4.269 12.829 34 HB2 TYR 6 1HB TYR 6 17.471 1.889 12.864 35 HB3 TYR 6 2HB TYR 6 15.832 2.229 12.320 36 H ALA 7 H ALA 7 14.725 1.175 10.596 37 HA ALA 7 HA ALA 7 14.527 -1.342 9.638 38 HB1 ALA 7 3HB ALA 7 12.851 1.079 9.124 39 HB2 ALA 7 1HB ALA 7 12.458 -0.454 8.345 40 HB3 ALA 7 2HB ALA 7 12.497 -0.343 10.105 41 H LYS 8 H LYS 8 15.035 1.555 7.650 42 HA LYS 8 HA LYS 8 14.852 0.694 5.120 43 HB2 LYS 8 1HB LYS 8 16.090 2.825 6.332 44 HB3 LYS 8 2HB LYS 8 17.440 2.008 5.555 45 HG2 LYS 8 1HG LYS 8 15.685 2.004 3.526 46 HG3 LYS 8 2HG LYS 8 15.166 3.463 4.373 47 HD2 LYS 8 1HD LYS 8 18.039 3.362 4.197 48 HD3 LYS 8 2HD LYS 8 17.315 3.195 2.596 49 HE2 LYS 8 1HE LYS 8 16.280 5.266 2.708 50 HE3 LYS 8 2HE LYS 8 16.344 5.314 4.470 51 HZ1 LYS 8 3HZ LYS 8 18.263 6.387 4.378 52 HZ2 LYS 8 1HZ LYS 8 18.116 6.479 2.695 53 HZ3 LYS 8 2HZ LYS 8 18.959 5.194 3.401 54 H ARG 9 H ARG 9 17.922 0.360 6.914 55 HA ARG 9 HA ARG 9 19.208 -1.280 5.077 56 HE ARG 9 HE ARG 9 20.985 2.612 8.113 57 HB2 ARG 9 1HB ARG 9 19.739 -1.757 7.963 58 HB3 ARG 9 2HB ARG 9 20.867 -1.493 6.640 59 HG2 ARG 9 1HG ARG 9 19.724 0.932 6.747 60 HG3 ARG 9 2HG ARG 9 19.560 0.443 8.435 61 HD2 ARG 9 1HD ARG 9 21.914 0.101 8.639 62 HD3 ARG 9 2HD ARG 9 22.149 0.303 6.903 63 HH11 ARG 9 2HH1 ARG 9 23.985 0.933 7.566 64 HH12 ARG 9 1HH1 ARG 9 24.957 2.362 7.685 65 HH21 ARG 9 2HH2 ARG 9 22.254 4.501 8.271 66 HH22 ARG 9 1HH2 ARG 9 23.971 4.391 8.086 67 H ILE 10 H ILE 10 17.704 -2.349 8.135 68 HA ILE 10 HA ILE 10 17.876 -5.013 7.999 69 HB ILE 10 HB ILE 10 15.136 -3.931 8.516 70 HG12 ILE 10 1HG1 ILE 10 16.428 -2.218 9.526 71 HG13 ILE 10 2HG1 ILE 10 16.002 -3.318 10.834 72 HG21 ILE 10 1HG2 ILE 10 15.379 -5.492 10.483 73 HG22 ILE 10 2HG2 ILE 10 15.375 -6.254 8.894 74 HG23 ILE 10 3HG2 ILE 10 16.895 -6.030 9.760 75 HD11 ILE 10 3HD1 ILE 10 18.442 -4.235 9.808 76 HD12 ILE 10 1HD1 ILE 10 18.581 -2.482 9.935 77 HD13 ILE 10 2HD1 ILE 10 18.144 -3.437 11.352 78 H ALA 11 H ALA 11 14.929 -3.495 6.691 79 HA ALA 11 HA ALA 11 13.809 -5.503 5.327 80 HB1 ALA 11 3HB ALA 11 14.086 -2.617 4.619 81 HB2 ALA 11 1HB ALA 11 13.287 -3.719 3.497 82 HB3 ALA 11 2HB ALA 11 12.659 -3.518 5.133 83 H GLU 12 H GLU 12 16.528 -3.577 4.092 84 HA GLU 12 HA GLU 12 16.754 -4.872 1.608 85 HB2 GLU 12 1HB GLU 12 18.345 -3.006 3.201 86 HB3 GLU 12 2HB GLU 12 19.328 -4.086 2.223 87 HG2 GLU 12 1HG GLU 12 17.586 -3.371 0.359 88 HG3 GLU 12 2HG GLU 12 17.454 -1.950 1.394 89 H ALA 13 H ALA 13 18.866 -5.265 4.460 90 HA ALA 13 HA ALA 13 20.289 -7.464 3.593 91 HB1 ALA 13 3HB ALA 13 20.340 -7.987 6.173 92 HB2 ALA 13 1HB ALA 13 21.163 -6.575 5.510 93 HB3 ALA 13 2HB ALA 13 19.586 -6.396 6.280 94 H MET 14 H MET 14 17.044 -7.308 4.860 95 HA MET 14 HA MET 14 16.838 -10.173 5.211 96 HB2 MET 14 1HB MET 14 14.805 -7.949 5.422 97 HB3 MET 14 2HB MET 14 14.433 -9.644 5.710 98 HG2 MET 14 1HG MET 14 16.670 -9.086 7.289 99 HG3 MET 14 2HG MET 14 15.595 -7.702 7.472 100 HE1 MET 14 3HE MET 14 12.611 -8.809 9.249 101 HE2 MET 14 1HE MET 14 14.036 -8.011 9.914 102 HE3 MET 14 2HE MET 14 13.478 -7.609 8.290 103 H ALA 15 H ALA 15 17.275 -8.690 2.534 104 HA ALA 15 HA ALA 15 15.156 -10.121 1.068 105 HB1 ALA 15 3HB ALA 15 16.218 -7.370 0.706 106 HB2 ALA 15 1HB ALA 15 15.751 -8.280 -0.731 107 HB3 ALA 15 2HB ALA 15 14.571 -7.979 0.545 108 H LYS 16 H LYS 16 17.871 -10.969 1.896 109 HA LYS 16 HA LYS 16 18.950 -11.527 -0.789 110 HB2 LYS 16 1HB LYS 16 20.234 -10.137 1.272 111 HB3 LYS 16 2HB LYS 16 20.941 -11.747 1.305 112 HG2 LYS 16 1HG LYS 16 21.935 -11.507 -0.721 113 HG3 LYS 16 2HG LYS 16 20.680 -10.429 -1.335 114 HD2 LYS 16 1HD LYS 16 21.801 -8.603 -0.696 115 HD3 LYS 16 2HD LYS 16 22.152 -9.280 0.897 116 HE2 LYS 16 1HE LYS 16 23.633 -10.400 -1.413 117 HE3 LYS 16 2HE LYS 16 24.050 -8.764 -0.907 118 HZ1 LYS 16 3HZ LYS 16 23.824 -10.589 1.292 119 HZ2 LYS 16 1HZ LYS 16 25.077 -9.523 0.898 120 HZ3 LYS 16 2HZ LYS 16 25.015 -11.055 0.184 121 H GLY 17 H GLY 17 18.656 -13.598 -1.268 122 HA2 GLY 17 1HA GLY 17 18.724 -15.567 0.930 123 HA3 GLY 17 2HA GLY 17 17.822 -15.771 -0.565 Start of MODEL 5 1 HA SER 1 HA SER 1 14.334 10.535 11.696 2 HG SER 1 HG SER 1 12.676 10.471 12.893 3 H1 SER 1 1H SER 1 14.712 9.161 9.167 4 HB2 SER 1 1HB SER 1 12.097 9.554 10.329 5 HB3 SER 1 2HB SER 1 12.441 8.343 11.564 6 H ALA 2 H ALA 2 14.240 8.854 13.526 7 HA ALA 2 HA ALA 2 16.560 7.252 13.366 8 HB1 ALA 2 3HB ALA 2 15.771 6.378 15.599 9 HB2 ALA 2 1HB ALA 2 15.975 8.126 15.485 10 HB3 ALA 2 2HB ALA 2 14.360 7.420 15.411 11 H ALA 3 H ALA 3 13.119 6.508 13.139 12 HA ALA 3 HA ALA 3 13.608 3.660 12.944 13 HB1 ALA 3 3HB ALA 3 11.089 5.297 12.713 14 HB2 ALA 3 1HB ALA 3 11.142 3.539 12.583 15 HB3 ALA 3 2HB ALA 3 11.617 4.326 14.088 16 H GLU 4 H GLU 4 13.528 6.321 10.832 17 HA GLU 4 HA GLU 4 12.765 4.768 8.498 18 HB2 GLU 4 1HB GLU 4 13.588 7.652 8.845 19 HB3 GLU 4 2HB GLU 4 13.214 6.931 7.286 20 HG2 GLU 4 1HG GLU 4 11.029 6.268 8.814 21 HG3 GLU 4 2HG GLU 4 11.439 7.887 9.377 22 H ALA 5 H ALA 5 15.612 5.726 10.163 23 HA ALA 5 HA ALA 5 17.345 5.266 7.869 24 HB1 ALA 5 3HB ALA 5 19.070 5.610 9.897 25 HB2 ALA 5 1HB ALA 5 18.339 6.945 9.006 26 HB3 ALA 5 2HB ALA 5 17.662 6.444 10.556 27 H TYR 6 H TYR 6 16.222 3.639 10.725 28 HA TYR 6 HA TYR 6 18.253 1.586 10.625 29 HD1 TYR 6 HD1 TYR 6 18.379 -0.584 12.527 30 HD2 TYR 6 HD2 TYR 6 14.279 0.555 12.553 31 HE1 TYR 6 HE1 TYR 6 17.746 -2.896 13.078 32 HE2 TYR 6 HE2 TYR 6 13.635 -1.754 13.105 33 HH TYR 6 HH TYR 6 14.346 -3.860 13.328 34 HB2 TYR 6 1HB TYR 6 17.585 1.849 12.808 35 HB3 TYR 6 2HB TYR 6 15.918 2.206 12.370 36 H ALA 7 H ALA 7 14.702 1.300 10.596 37 HA ALA 7 HA ALA 7 14.412 -1.196 9.597 38 HB1 ALA 7 3HB ALA 7 12.793 1.278 9.289 39 HB2 ALA 7 1HB ALA 7 12.357 -0.134 8.326 40 HB3 ALA 7 2HB ALA 7 12.395 -0.243 10.087 41 H LYS 8 H LYS 8 15.116 1.711 7.715 42 HA LYS 8 HA LYS 8 14.793 0.889 5.147 43 HB2 LYS 8 1HB LYS 8 15.580 3.113 5.661 44 HB3 LYS 8 2HB LYS 8 17.090 2.477 6.301 45 HG2 LYS 8 1HG LYS 8 17.296 1.484 3.864 46 HG3 LYS 8 2HG LYS 8 16.214 2.827 3.487 47 HD2 LYS 8 1HD LYS 8 17.790 4.397 4.475 48 HD3 LYS 8 2HD LYS 8 18.858 3.065 4.926 49 HE2 LYS 8 1HE LYS 8 18.226 2.920 2.129 50 HE3 LYS 8 2HE LYS 8 18.836 4.526 2.524 51 HZ1 LYS 8 3HZ LYS 8 20.876 3.732 2.998 52 HZ2 LYS 8 1HZ LYS 8 20.410 2.466 1.977 53 HZ3 LYS 8 2HZ LYS 8 20.300 2.283 3.654 54 H ARG 9 H ARG 9 17.832 0.453 6.969 55 HA ARG 9 HA ARG 9 19.124 -1.132 5.072 56 HE ARG 9 HE ARG 9 21.819 2.439 8.936 57 HB2 ARG 9 1HB ARG 9 19.648 -1.701 7.939 58 HB3 ARG 9 2HB ARG 9 20.778 -1.389 6.629 59 HG2 ARG 9 1HG ARG 9 19.634 1.031 6.824 60 HG3 ARG 9 2HG ARG 9 19.470 0.479 8.493 61 HD2 ARG 9 1HD ARG 9 21.812 0.162 8.708 62 HD3 ARG 9 2HD ARG 9 22.065 0.360 6.974 63 HH11 ARG 9 2HH1 ARG 9 21.411 1.628 5.575 64 HH12 ARG 9 1HH1 ARG 9 21.582 3.261 5.025 65 HH21 ARG 9 2HH2 ARG 9 22.047 4.594 8.224 66 HH22 ARG 9 1HH2 ARG 9 21.945 4.948 6.533 67 H ILE 10 H ILE 10 17.595 -2.264 8.094 68 HA ILE 10 HA ILE 10 17.739 -4.919 7.914 69 HB ILE 10 HB ILE 10 14.993 -3.829 8.378 70 HG12 ILE 10 1HG1 ILE 10 16.283 -2.143 9.445 71 HG13 ILE 10 2HG1 ILE 10 15.794 -3.251 10.722 72 HG21 ILE 10 1HG2 ILE 10 15.205 -6.159 8.723 73 HG22 ILE 10 2HG2 ILE 10 16.706 -5.962 9.626 74 HG23 ILE 10 3HG2 ILE 10 15.179 -5.425 10.326 75 HD11 ILE 10 3HD1 ILE 10 18.199 -2.406 10.718 76 HD12 ILE 10 1HD1 ILE 10 17.936 -4.137 10.932 77 HD13 ILE 10 2HD1 ILE 10 18.449 -3.509 9.365 78 H ALA 11 H ALA 11 14.836 -3.364 6.554 79 HA ALA 11 HA ALA 11 13.734 -5.338 5.133 80 HB1 ALA 11 3HB ALA 11 13.148 -3.605 3.367 81 HB2 ALA 11 1HB ALA 11 12.698 -3.231 5.031 82 HB3 ALA 11 2HB ALA 11 14.119 -2.475 4.310 83 H GLU 12 H GLU 12 16.500 -3.423 3.984 84 HA GLU 12 HA GLU 12 16.781 -4.708 1.500 85 HB2 GLU 12 1HB GLU 12 18.340 -2.857 3.140 86 HB3 GLU 12 2HB GLU 12 19.342 -3.937 2.182 87 HG2 GLU 12 1HG GLU 12 17.648 -3.204 0.280 88 HG3 GLU 12 2HG GLU 12 17.500 -1.787 1.318 89 H ALA 13 H ALA 13 18.822 -5.123 4.399 90 HA ALA 13 HA ALA 13 20.232 -7.345 3.540 91 HB1 ALA 13 3HB ALA 13 21.152 -6.504 5.441 92 HB2 ALA 13 1HB ALA 13 19.587 -6.182 6.189 93 HB3 ALA 13 2HB ALA 13 20.227 -7.825 6.154 94 H MET 14 H MET 14 16.942 -7.113 4.438 95 HA MET 14 HA MET 14 16.699 -9.971 4.978 96 HB2 MET 14 1HB MET 14 14.662 -7.740 5.051 97 HB3 MET 14 2HB MET 14 14.309 -9.420 5.430 98 HG2 MET 14 1HG MET 14 16.207 -9.172 7.169 99 HG3 MET 14 2HG MET 14 15.941 -7.443 6.959 100 HE1 MET 14 3HE MET 14 14.162 -9.856 9.980 101 HE2 MET 14 1HE MET 14 14.018 -10.826 8.514 102 HE3 MET 14 2HE MET 14 15.572 -10.117 8.952 103 H ALA 15 H ALA 15 17.307 -8.668 2.291 104 HA ALA 15 HA ALA 15 15.068 -9.842 0.777 105 HB1 ALA 15 3HB ALA 15 15.447 -8.320 -0.965 106 HB2 ALA 15 1HB ALA 15 15.586 -7.360 0.508 107 HB3 ALA 15 2HB ALA 15 17.039 -7.877 -0.349 108 H LYS 16 H LYS 16 18.551 -9.709 1.159 109 HA LYS 16 HA LYS 16 19.501 -11.009 -1.039 110 HB2 LYS 16 1HB LYS 16 20.524 -10.340 1.426 111 HB3 LYS 16 2HB LYS 16 20.626 -12.096 1.440 112 HG2 LYS 16 1HG LYS 16 22.064 -12.147 -0.396 113 HG3 LYS 16 2HG LYS 16 21.660 -10.496 -0.872 114 HD2 LYS 16 1HD LYS 16 22.647 -10.251 1.714 115 HD3 LYS 16 2HD LYS 16 23.696 -11.451 0.954 116 HE2 LYS 16 1HE LYS 16 24.802 -9.721 0.081 117 HE3 LYS 16 2HE LYS 16 23.420 -9.523 -0.995 118 HZ1 LYS 16 3HZ LYS 16 23.344 -8.277 1.662 119 HZ2 LYS 16 1HZ LYS 16 22.600 -7.787 0.223 120 HZ3 LYS 16 2HZ LYS 16 24.260 -7.544 0.443 121 H GLY 17 H GLY 17 18.393 -12.649 1.935 122 HA2 GLY 17 1HA GLY 17 16.906 -14.634 0.685 123 HA3 GLY 17 2HA GLY 17 18.546 -15.252 0.813 Start of MODEL 6 1 HA SER 1 HA SER 1 13.105 10.500 10.732 2 HG SER 1 HG SER 1 11.491 9.890 12.017 3 H1 SER 1 1H SER 1 12.813 9.717 8.111 4 HB2 SER 1 1HB SER 1 11.100 9.349 9.315 5 HB3 SER 1 2HB SER 1 11.568 8.000 10.350 6 H ALA 2 H ALA 2 12.898 8.748 12.605 7 HA ALA 2 HA ALA 2 15.475 7.598 12.865 8 HB1 ALA 2 3HB ALA 2 14.933 7.244 15.041 9 HB2 ALA 2 1HB ALA 2 13.676 8.418 14.647 10 HB3 ALA 2 2HB ALA 2 13.301 6.694 14.662 11 H ALA 3 H ALA 3 12.248 6.163 12.440 12 HA ALA 3 HA ALA 3 13.194 3.480 12.368 13 HB1 ALA 3 3HB ALA 3 10.850 4.235 12.930 14 HB2 ALA 3 1HB ALA 3 10.604 4.466 11.199 15 HB3 ALA 3 2HB ALA 3 10.976 2.862 11.831 16 H GLU 4 H GLU 4 13.173 6.013 10.085 17 HA GLU 4 HA GLU 4 13.177 4.282 7.761 18 HB2 GLU 4 1HB GLU 4 13.723 7.249 7.966 19 HB3 GLU 4 2HB GLU 4 13.468 6.346 6.480 20 HG2 GLU 4 1HG GLU 4 11.297 5.992 8.369 21 HG3 GLU 4 2HG GLU 4 11.552 7.682 7.939 22 H ALA 5 H ALA 5 15.453 5.680 9.929 23 HA ALA 5 HA ALA 5 17.699 5.393 8.112 24 HB1 ALA 5 3HB ALA 5 17.736 6.093 11.043 25 HB2 ALA 5 1HB ALA 5 19.040 6.312 9.876 26 HB3 ALA 5 2HB ALA 5 17.563 7.266 9.738 27 H TYR 6 H TYR 6 16.297 3.743 10.880 28 HA TYR 6 HA TYR 6 18.482 1.862 11.081 29 HD1 TYR 6 HD1 TYR 6 18.577 -0.248 12.976 30 HD2 TYR 6 HD2 TYR 6 14.418 0.628 12.771 31 HE1 TYR 6 HE1 TYR 6 18.063 -2.578 13.571 32 HE2 TYR 6 HE2 TYR 6 13.893 -1.700 13.367 33 HH TYR 6 HH TYR 6 16.010 -4.171 13.166 34 HB2 TYR 6 1HB TYR 6 17.581 2.154 13.173 35 HB3 TYR 6 2HB TYR 6 15.945 2.364 12.559 36 H ALA 7 H ALA 7 14.984 1.295 10.707 37 HA ALA 7 HA ALA 7 15.064 -1.270 9.768 38 HB1 ALA 7 3HB ALA 7 13.114 0.634 8.546 39 HB2 ALA 7 1HB ALA 7 12.865 -1.015 9.121 40 HB3 ALA 7 2HB ALA 7 13.055 0.303 10.277 41 H LYS 8 H LYS 8 16.113 1.563 8.146 42 HA LYS 8 HA LYS 8 15.786 1.042 5.480 43 HB2 LYS 8 1HB LYS 8 17.452 2.709 7.056 44 HB3 LYS 8 2HB LYS 8 18.485 1.921 5.870 45 HG2 LYS 8 1HG LYS 8 15.966 3.018 4.820 46 HG3 LYS 8 2HG LYS 8 17.129 4.203 5.421 47 HD2 LYS 8 1HD LYS 8 18.305 2.098 3.755 48 HD3 LYS 8 2HD LYS 8 17.140 3.123 2.913 49 HE2 LYS 8 1HE LYS 8 19.477 4.141 4.524 50 HE3 LYS 8 2HE LYS 8 19.478 3.945 2.772 51 HZ1 LYS 8 3HZ LYS 8 17.329 5.527 3.967 52 HZ2 LYS 8 1HZ LYS 8 18.109 5.716 2.478 53 HZ3 LYS 8 2HZ LYS 8 18.870 6.222 3.902 54 H ARG 9 H ARG 9 18.872 0.282 7.086 55 HA ARG 9 HA ARG 9 19.805 -1.467 5.145 56 HE ARG 9 HE ARG 9 22.881 0.142 8.643 57 HB2 ARG 9 1HB ARG 9 21.019 -2.459 7.340 58 HB3 ARG 9 2HB ARG 9 21.521 -0.976 6.539 59 HG2 ARG 9 1HG ARG 9 19.431 -0.708 8.606 60 HG3 ARG 9 2HG ARG 9 21.048 -1.144 9.163 61 HD2 ARG 9 1HD ARG 9 20.604 1.138 7.266 62 HD3 ARG 9 2HD ARG 9 20.442 1.349 9.009 63 HH11 ARG 9 2HH1 ARG 9 21.347 3.079 7.574 64 HH12 ARG 9 1HH1 ARG 9 22.829 3.969 7.467 65 HH21 ARG 9 2HH2 ARG 9 24.840 1.303 8.506 66 HH22 ARG 9 1HH2 ARG 9 24.816 2.958 7.997 67 H ILE 10 H ILE 10 18.374 -2.365 8.290 68 HA ILE 10 HA ILE 10 18.274 -5.037 8.180 69 HB ILE 10 HB ILE 10 15.689 -3.675 8.819 70 HG12 ILE 10 1HG1 ILE 10 17.196 -2.099 9.747 71 HG13 ILE 10 2HG1 ILE 10 16.732 -3.144 11.085 72 HG21 ILE 10 1HG2 ILE 10 17.283 -5.936 9.999 73 HG22 ILE 10 2HG2 ILE 10 15.869 -5.241 10.789 74 HG23 ILE 10 3HG2 ILE 10 15.708 -6.010 9.210 75 HD11 ILE 10 3HD1 ILE 10 18.968 -4.381 10.085 76 HD12 ILE 10 1HD1 ILE 10 19.340 -2.666 9.908 77 HD13 ILE 10 2HD1 ILE 10 18.908 -3.317 11.490 78 H ALA 11 H ALA 11 15.438 -3.232 7.000 79 HA ALA 11 HA ALA 11 14.046 -5.118 5.719 80 HB1 ALA 11 3HB ALA 11 14.563 -2.273 5.044 81 HB2 ALA 11 1HB ALA 11 13.710 -3.265 3.861 82 HB3 ALA 11 2HB ALA 11 13.058 -3.077 5.489 83 H GLU 12 H GLU 12 16.894 -3.510 4.329 84 HA GLU 12 HA GLU 12 16.858 -4.846 1.856 85 HB2 GLU 12 1HB GLU 12 18.715 -3.147 3.344 86 HB3 GLU 12 2HB GLU 12 19.528 -4.336 2.336 87 HG2 GLU 12 1HG GLU 12 17.780 -3.452 0.549 88 HG3 GLU 12 2HG GLU 12 17.856 -2.017 1.568 89 H ALA 13 H ALA 13 19.059 -5.434 4.604 90 HA ALA 13 HA ALA 13 20.152 -7.810 3.681 91 HB1 ALA 13 3HB ALA 13 19.665 -7.338 6.600 92 HB2 ALA 13 1HB ALA 13 21.041 -8.110 5.813 93 HB3 ALA 13 2HB ALA 13 20.824 -6.364 5.696 94 H MET 14 H MET 14 16.981 -7.214 4.719 95 HA MET 14 HA MET 14 16.490 -10.020 5.395 96 HB2 MET 14 1HB MET 14 14.824 -7.523 5.684 97 HB3 MET 14 2HB MET 14 14.167 -9.133 5.948 98 HG2 MET 14 1HG MET 14 16.552 -8.946 7.445 99 HG3 MET 14 2HG MET 14 15.626 -7.476 7.738 100 HE1 MET 14 3HE MET 14 14.079 -7.180 9.267 101 HE2 MET 14 1HE MET 14 13.190 -8.357 10.235 102 HE3 MET 14 2HE MET 14 14.918 -8.123 10.500 103 H ALA 15 H ALA 15 17.057 -9.004 2.653 104 HA ALA 15 HA ALA 15 14.566 -9.917 1.365 105 HB1 ALA 15 3HB ALA 15 14.543 -8.101 0.094 106 HB2 ALA 15 1HB ALA 15 15.921 -7.475 1.000 107 HB3 ALA 15 2HB ALA 15 16.185 -8.429 -0.460 108 H LYS 16 H LYS 16 18.094 -9.686 0.931 109 HA LYS 16 HA LYS 16 18.446 -11.368 -1.203 110 HB2 LYS 16 1HB LYS 16 20.093 -10.608 1.138 111 HB3 LYS 16 2HB LYS 16 20.603 -12.051 0.271 112 HG2 LYS 16 1HG LYS 16 20.702 -10.763 -1.807 113 HG3 LYS 16 2HG LYS 16 20.205 -9.316 -0.927 114 HD2 LYS 16 1HD LYS 16 22.271 -9.918 0.583 115 HD3 LYS 16 2HD LYS 16 22.797 -10.791 -0.858 116 HE2 LYS 16 1HE LYS 16 23.749 -8.645 -1.039 117 HE3 LYS 16 2HE LYS 16 22.370 -8.642 -2.137 118 HZ1 LYS 16 3HZ LYS 16 21.743 -7.770 0.536 119 HZ2 LYS 16 1HZ LYS 16 21.339 -7.074 -0.952 120 HZ3 LYS 16 2HZ LYS 16 22.852 -6.772 -0.260 121 H GLY 17 H GLY 17 18.430 -13.526 -1.579 122 HA2 GLY 17 1HA GLY 17 18.618 -15.516 0.424 123 HA3 GLY 17 2HA GLY 17 16.928 -15.235 0.031 Start of MODEL 7 1 HA SER 1 HA SER 1 12.301 10.090 11.410 2 HG SER 1 HG SER 1 9.604 8.412 12.306 3 H1 SER 1 1H SER 1 12.896 8.998 8.758 4 HB2 SER 1 1HB SER 1 10.190 9.161 10.397 5 HB3 SER 1 2HB SER 1 10.972 7.580 10.369 6 H ALA 2 H ALA 2 12.891 8.609 13.165 7 HA ALA 2 HA ALA 2 15.471 7.601 12.898 8 HB1 ALA 2 3HB ALA 2 13.777 6.409 15.008 9 HB2 ALA 2 1HB ALA 2 15.368 7.163 15.117 10 HB3 ALA 2 2HB ALA 2 13.921 8.166 15.001 11 H ALA 3 H ALA 3 12.414 5.781 13.150 12 HA ALA 3 HA ALA 3 13.569 3.239 12.757 13 HB1 ALA 3 3HB ALA 3 11.496 2.497 13.120 14 HB2 ALA 3 1HB ALA 3 11.066 4.185 13.398 15 HB3 ALA 3 2HB ALA 3 10.828 3.464 11.805 16 H GLU 4 H GLU 4 12.944 5.793 10.588 17 HA GLU 4 HA GLU 4 12.735 4.106 8.240 18 HB2 GLU 4 1HB GLU 4 12.855 7.097 8.616 19 HB3 GLU 4 2HB GLU 4 12.810 6.334 7.033 20 HG2 GLU 4 1HG GLU 4 10.715 5.437 8.871 21 HG3 GLU 4 2HG GLU 4 10.635 7.143 8.438 22 H ALA 5 H ALA 5 15.186 5.691 10.059 23 HA ALA 5 HA ALA 5 17.125 5.671 7.901 24 HB1 ALA 5 3HB ALA 5 16.974 7.420 9.765 25 HB2 ALA 5 1HB ALA 5 17.746 6.208 10.787 26 HB3 ALA 5 2HB ALA 5 18.572 6.803 9.346 27 H TYR 6 H TYR 6 16.407 3.849 10.832 28 HA TYR 6 HA TYR 6 18.747 2.192 10.610 29 HD1 TYR 6 HD1 TYR 6 19.329 0.053 12.437 30 HD2 TYR 6 HD2 TYR 6 15.099 0.438 12.689 31 HE1 TYR 6 HE1 TYR 6 19.149 -2.339 12.977 32 HE2 TYR 6 HE2 TYR 6 14.908 -1.954 13.231 33 HH TYR 6 HH TYR 6 17.713 -3.920 13.884 34 HB2 TYR 6 1HB TYR 6 18.115 2.306 12.815 35 HB3 TYR 6 2HB TYR 6 16.398 2.354 12.434 36 H ALA 7 H ALA 7 15.312 1.249 10.673 37 HA ALA 7 HA ALA 7 15.525 -1.256 9.613 38 HB1 ALA 7 3HB ALA 7 13.205 -1.011 8.840 39 HB2 ALA 7 1HB ALA 7 13.435 -0.380 10.470 40 HB3 ALA 7 2HB ALA 7 13.314 0.729 9.104 41 H LYS 8 H LYS 8 16.054 1.724 7.995 42 HA LYS 8 HA LYS 8 15.449 1.282 5.376 43 HB2 LYS 8 1HB LYS 8 16.865 3.175 6.679 44 HB3 LYS 8 2HB LYS 8 18.172 2.348 5.842 45 HG2 LYS 8 1HG LYS 8 16.047 2.766 3.999 46 HG3 LYS 8 2HG LYS 8 16.383 4.286 4.831 47 HD2 LYS 8 1HD LYS 8 18.898 3.445 4.319 48 HD3 LYS 8 2HD LYS 8 18.044 2.746 2.941 49 HE2 LYS 8 1HE LYS 8 18.860 4.943 2.360 50 HE3 LYS 8 2HE LYS 8 17.100 4.971 2.441 51 HZ1 LYS 8 3HZ LYS 8 17.181 6.046 4.540 52 HZ2 LYS 8 1HZ LYS 8 18.223 6.896 3.513 53 HZ3 LYS 8 2HZ LYS 8 18.855 5.836 4.670 54 H ARG 9 H ARG 9 18.746 0.659 6.578 55 HA ARG 9 HA ARG 9 19.547 -0.918 4.431 56 HE ARG 9 HE ARG 9 22.663 1.853 6.551 57 HB2 ARG 9 1HB ARG 9 21.106 -1.906 6.392 58 HB3 ARG 9 2HB ARG 9 21.386 -0.347 5.628 59 HG2 ARG 9 1HG ARG 9 19.568 -0.360 7.953 60 HG3 ARG 9 2HG ARG 9 21.271 -0.691 8.275 61 HD2 ARG 9 1HD ARG 9 20.398 1.648 6.607 62 HD3 ARG 9 2HD ARG 9 20.487 1.745 8.365 63 HH11 ARG 9 2HH1 ARG 9 21.746 0.654 9.688 64 HH12 ARG 9 1HH1 ARG 9 23.358 0.701 10.321 65 HH21 ARG 9 2HH2 ARG 9 24.789 1.920 7.373 66 HH22 ARG 9 1HH2 ARG 9 25.088 1.422 9.004 67 H ILE 10 H ILE 10 18.661 -2.076 7.690 68 HA ILE 10 HA ILE 10 18.712 -4.733 7.443 69 HB ILE 10 HB ILE 10 16.154 -3.600 8.501 70 HG12 ILE 10 1HG1 ILE 10 17.681 -1.963 9.296 71 HG13 ILE 10 2HG1 ILE 10 17.452 -3.089 10.629 72 HG21 ILE 10 1HG2 ILE 10 16.383 -5.942 8.752 73 HG22 ILE 10 2HG2 ILE 10 18.044 -5.790 9.322 74 HG23 ILE 10 3HG2 ILE 10 16.710 -5.240 10.336 75 HD11 ILE 10 3HD1 ILE 10 19.818 -2.288 10.122 76 HD12 ILE 10 1HD1 ILE 10 19.568 -4.018 10.359 77 HD13 ILE 10 2HD1 ILE 10 19.747 -3.368 8.729 78 H ALA 11 H ALA 11 15.622 -3.095 6.759 79 HA ALA 11 HA ALA 11 14.191 -5.012 5.580 80 HB1 ALA 11 3HB ALA 11 13.547 -3.080 3.852 81 HB2 ALA 11 1HB ALA 11 13.026 -3.070 5.537 82 HB3 ALA 11 2HB ALA 11 14.422 -2.113 5.040 83 H GLU 12 H GLU 12 16.707 -3.155 3.889 84 HA GLU 12 HA GLU 12 16.419 -4.412 1.391 85 HB2 GLU 12 1HB GLU 12 18.343 -2.625 2.679 86 HB3 GLU 12 2HB GLU 12 19.087 -3.716 1.519 87 HG2 GLU 12 1HG GLU 12 17.048 -2.912 0.028 88 HG3 GLU 12 2HG GLU 12 17.163 -1.508 1.087 89 H ALA 13 H ALA 13 19.024 -4.914 3.780 90 HA ALA 13 HA ALA 13 20.209 -7.122 2.655 91 HB1 ALA 13 3HB ALA 13 21.499 -6.747 4.423 92 HB2 ALA 13 1HB ALA 13 20.218 -5.841 5.229 93 HB3 ALA 13 2HB ALA 13 20.308 -7.594 5.410 94 H MET 14 H MET 14 17.219 -6.944 4.447 95 HA MET 14 HA MET 14 16.996 -9.815 4.728 96 HB2 MET 14 1HB MET 14 15.062 -7.573 5.330 97 HB3 MET 14 2HB MET 14 14.736 -9.270 5.652 98 HG2 MET 14 1HG MET 14 16.763 -9.298 7.110 99 HG3 MET 14 2HG MET 14 16.863 -7.551 6.897 100 HE1 MET 14 3HE MET 14 14.965 -10.516 8.658 101 HE2 MET 14 1HE MET 14 13.413 -9.757 9.016 102 HE3 MET 14 2HE MET 14 13.890 -10.041 7.342 103 H ALA 15 H ALA 15 17.099 -8.370 2.051 104 HA ALA 15 HA ALA 15 14.654 -9.573 0.926 105 HB1 ALA 15 3HB ALA 15 16.106 -7.099 0.000 106 HB2 ALA 15 1HB ALA 15 14.782 -7.873 -0.871 107 HB3 ALA 15 2HB ALA 15 14.500 -7.179 0.726 108 H LYS 16 H LYS 16 18.098 -9.023 0.587 109 HA LYS 16 HA LYS 16 18.662 -9.975 -1.907 110 HB2 LYS 16 1HB LYS 16 20.840 -10.474 -1.147 111 HB3 LYS 16 2HB LYS 16 20.281 -9.164 -0.115 112 HG2 LYS 16 1HG LYS 16 19.558 -11.070 1.486 113 HG3 LYS 16 2HG LYS 16 20.682 -12.050 0.542 114 HD2 LYS 16 1HD LYS 16 22.393 -10.213 0.974 115 HD3 LYS 16 2HD LYS 16 21.262 -9.594 2.180 116 HE2 LYS 16 1HE LYS 16 21.746 -12.462 2.409 117 HE3 LYS 16 2HE LYS 16 23.204 -11.493 2.611 118 HZ1 LYS 16 3HZ LYS 16 22.189 -11.773 4.731 119 HZ2 LYS 16 1HZ LYS 16 20.681 -11.266 4.156 120 HZ3 LYS 16 2HZ LYS 16 21.957 -10.162 4.271 121 H GLY 17 H GLY 17 17.807 -11.852 0.950 122 HA2 GLY 17 1HA GLY 17 16.699 -13.935 0.864 123 HA3 GLY 17 2HA GLY 17 17.261 -14.140 -0.788 Start of MODEL 8 1 HA SER 1 HA SER 1 12.748 10.458 10.732 2 HG SER 1 HG SER 1 10.856 10.106 11.319 3 H1 SER 1 1H SER 1 12.877 9.998 7.994 4 HB2 SER 1 1HB SER 1 11.251 8.991 8.794 5 HB3 SER 1 2HB SER 1 11.499 7.952 10.197 6 H ALA 2 H ALA 2 13.182 9.165 12.546 7 HA ALA 2 HA ALA 2 15.653 7.920 12.640 8 HB1 ALA 2 3HB ALA 2 15.264 7.686 14.846 9 HB2 ALA 2 1HB ALA 2 13.861 8.697 14.500 10 HB3 ALA 2 2HB ALA 2 13.683 6.945 14.598 11 H ALA 3 H ALA 3 12.458 6.331 12.676 12 HA ALA 3 HA ALA 3 13.469 3.703 12.497 13 HB1 ALA 3 3HB ALA 3 11.138 3.112 11.823 14 HB2 ALA 3 1HB ALA 3 11.252 4.047 13.314 15 HB3 ALA 3 2HB ALA 3 10.762 4.835 11.813 16 H GLU 4 H GLU 4 13.175 6.179 10.172 17 HA GLU 4 HA GLU 4 13.004 4.415 7.887 18 HB2 GLU 4 1HB GLU 4 13.358 7.393 8.185 19 HB3 GLU 4 2HB GLU 4 13.432 6.591 6.622 20 HG2 GLU 4 1HG GLU 4 11.122 5.606 7.366 21 HG3 GLU 4 2HG GLU 4 11.109 7.011 8.430 22 H ALA 5 H ALA 5 15.461 5.833 9.832 23 HA ALA 5 HA ALA 5 17.539 5.482 7.830 24 HB1 ALA 5 3HB ALA 5 17.448 7.400 9.502 25 HB2 ALA 5 1HB ALA 5 17.968 6.224 10.709 26 HB3 ALA 5 2HB ALA 5 18.994 6.572 9.317 27 H TYR 6 H TYR 6 16.333 3.918 10.723 28 HA TYR 6 HA TYR 6 18.546 2.075 10.890 29 HD1 TYR 6 HD2 TYR 6 18.738 0.052 12.957 30 HD2 TYR 6 HD1 TYR 6 14.558 0.765 12.601 31 HE1 TYR 6 HE2 TYR 6 18.290 -2.274 13.621 32 HE2 TYR 6 HE1 TYR 6 14.099 -1.558 13.265 33 HH TYR 6 HH TYR 6 16.268 -3.512 14.734 34 HB2 TYR 6 1HB TYR 6 17.698 2.401 13.000 35 HB3 TYR 6 2HB TYR 6 16.042 2.562 12.428 36 H ALA 7 H ALA 7 15.051 1.433 10.630 37 HA ALA 7 HA ALA 7 15.145 -1.150 9.755 38 HB1 ALA 7 3HB ALA 7 13.048 -0.166 10.300 39 HB2 ALA 7 1HB ALA 7 13.197 1.020 9.003 40 HB3 ALA 7 2HB ALA 7 12.959 -0.685 8.617 41 H LYS 8 H LYS 8 16.109 1.654 8.027 42 HA LYS 8 HA LYS 8 15.743 1.080 5.388 43 HB2 LYS 8 1HB LYS 8 17.221 2.911 6.756 44 HB3 LYS 8 2HB LYS 8 18.492 1.938 6.028 45 HG2 LYS 8 1HG LYS 8 16.907 2.293 3.889 46 HG3 LYS 8 2HG LYS 8 16.560 3.777 4.780 47 HD2 LYS 8 1HD LYS 8 18.475 4.648 4.064 48 HD3 LYS 8 2HD LYS 8 19.363 3.349 4.864 49 HE2 LYS 8 1HE LYS 8 18.104 2.616 2.311 50 HE3 LYS 8 2HE LYS 8 19.388 3.818 2.190 51 HZ1 LYS 8 3HZ LYS 8 19.568 1.013 2.732 52 HZ2 LYS 8 1HZ LYS 8 20.409 1.938 3.871 53 HZ3 LYS 8 2HZ LYS 8 20.768 2.092 2.226 54 H ARG 9 H ARG 9 18.827 0.272 6.982 55 HA ARG 9 HA ARG 9 19.702 -1.515 5.037 56 HE ARG 9 HE ARG 9 22.656 0.288 9.142 57 HB2 ARG 9 1HB ARG 9 20.953 -2.487 7.214 58 HB3 ARG 9 2HB ARG 9 21.450 -1.015 6.391 59 HG2 ARG 9 1HG ARG 9 19.406 -0.712 8.499 60 HG3 ARG 9 2HG ARG 9 21.030 -1.160 9.025 61 HD2 ARG 9 1HD ARG 9 21.118 0.935 7.042 62 HD3 ARG 9 2HD ARG 9 20.097 1.395 8.404 63 HH11 ARG 9 2HH1 ARG 9 20.869 3.171 8.359 64 HH12 ARG 9 1HH1 ARG 9 21.964 4.231 9.184 65 HH21 ARG 9 2HH2 ARG 9 24.105 1.673 10.231 66 HH22 ARG 9 1HH2 ARG 9 23.805 3.377 10.247 67 H ILE 10 H ILE 10 18.378 -2.360 8.243 68 HA ILE 10 HA ILE 10 18.216 -5.023 8.169 69 HB ILE 10 HB ILE 10 15.673 -3.608 8.865 70 HG12 ILE 10 1HG1 ILE 10 17.251 -2.052 9.721 71 HG13 ILE 10 2HG1 ILE 10 16.781 -3.056 11.088 72 HG21 ILE 10 1HG2 ILE 10 17.259 -5.886 10.021 73 HG22 ILE 10 2HG2 ILE 10 15.887 -5.153 10.850 74 HG23 ILE 10 3HG2 ILE 10 15.657 -5.935 9.287 75 HD11 ILE 10 3HD1 ILE 10 19.228 -3.659 9.474 76 HD12 ILE 10 1HD1 ILE 10 19.251 -2.497 10.800 77 HD13 ILE 10 2HD1 ILE 10 18.821 -4.180 11.109 78 H ALA 11 H ALA 11 15.375 -3.187 7.046 79 HA ALA 11 HA ALA 11 13.906 -5.057 5.838 80 HB1 ALA 11 3HB ALA 11 14.459 -2.235 5.144 81 HB2 ALA 11 1HB ALA 11 13.630 -3.209 3.929 82 HB3 ALA 11 2HB ALA 11 12.936 -3.031 5.541 83 H GLU 12 H GLU 12 16.744 -3.545 4.320 84 HA GLU 12 HA GLU 12 16.609 -4.953 1.892 85 HB2 GLU 12 1HB GLU 12 18.541 -3.245 3.270 86 HB3 GLU 12 2HB GLU 12 19.301 -4.479 2.274 87 HG2 GLU 12 1HG GLU 12 17.515 -3.617 0.515 88 HG3 GLU 12 2HG GLU 12 17.647 -2.153 1.488 89 H ALA 13 H ALA 13 18.890 -5.499 4.583 90 HA ALA 13 HA ALA 13 20.009 -7.854 3.760 91 HB1 ALA 13 3HB ALA 13 20.156 -8.379 6.281 92 HB2 ALA 13 1HB ALA 13 20.944 -6.924 5.671 93 HB3 ALA 13 2HB ALA 13 19.389 -6.805 6.495 94 H MET 14 H MET 14 16.799 -7.345 4.991 95 HA MET 14 HA MET 14 16.326 -10.217 5.247 96 HB2 MET 14 1HB MET 14 14.481 -7.891 5.820 97 HB3 MET 14 2HB MET 14 14.157 -9.580 6.189 98 HG2 MET 14 1HG MET 14 16.579 -9.113 7.414 99 HG3 MET 14 2HG MET 14 15.692 -7.610 7.662 100 HE1 MET 14 3HE MET 14 14.285 -11.321 7.378 101 HE2 MET 14 1HE MET 14 15.821 -11.443 8.235 102 HE3 MET 14 2HE MET 14 14.310 -11.774 9.083 103 H ALA 15 H ALA 15 16.816 -8.993 2.642 104 HA ALA 15 HA ALA 15 14.275 -9.729 1.351 105 HB1 ALA 15 3HB ALA 15 16.107 -7.508 0.452 106 HB2 ALA 15 1HB ALA 15 14.612 -8.016 -0.334 107 HB3 ALA 15 2HB ALA 15 14.561 -7.291 1.273 108 H LYS 16 H LYS 16 17.779 -9.344 0.937 109 HA LYS 16 HA LYS 16 18.083 -10.641 -1.497 110 HB2 LYS 16 1HB LYS 16 19.790 -9.843 0.703 111 HB3 LYS 16 2HB LYS 16 20.319 -11.375 0.021 112 HG2 LYS 16 1HG LYS 16 21.058 -10.421 -1.862 113 HG3 LYS 16 2HG LYS 16 19.670 -9.337 -1.976 114 HD2 LYS 16 1HD LYS 16 21.198 -7.750 -1.491 115 HD3 LYS 16 2HD LYS 16 20.939 -8.290 0.170 116 HE2 LYS 16 1HE LYS 16 22.992 -9.179 0.320 117 HE3 LYS 16 2HE LYS 16 22.907 -9.878 -1.296 118 HZ1 LYS 16 3HZ LYS 16 23.501 -7.031 -0.692 119 HZ2 LYS 16 1HZ LYS 16 23.461 -7.732 -2.231 120 HZ3 LYS 16 2HZ LYS 16 24.647 -8.200 -1.119 121 H GLY 17 H GLY 17 18.321 -12.055 1.772 122 HA2 GLY 17 1HA GLY 17 16.945 -14.402 1.191 123 HA3 GLY 17 2HA GLY 17 18.642 -14.719 0.861 Start of MODEL 9 1 HA SER 1 HA SER 1 12.972 10.304 11.734 2 HG SER 1 HG SER 1 11.140 10.023 12.611 3 H1 SER 1 1H SER 1 13.308 9.369 8.959 4 HB2 SER 1 1HB SER 1 10.935 9.386 10.233 5 HB3 SER 1 2HB SER 1 11.532 7.854 10.872 6 H ALA 2 H ALA 2 13.329 8.621 13.383 7 HA ALA 2 HA ALA 2 15.828 7.381 13.073 8 HB1 ALA 2 3HB ALA 2 15.333 6.301 15.244 9 HB2 ALA 2 1HB ALA 2 15.036 8.040 15.250 10 HB3 ALA 2 2HB ALA 2 13.682 6.914 15.138 11 H ALA 3 H ALA 3 12.551 6.001 13.102 12 HA ALA 3 HA ALA 3 13.388 3.323 12.697 13 HB1 ALA 3 3HB ALA 3 11.101 4.315 13.515 14 HB2 ALA 3 1HB ALA 3 10.702 4.247 11.798 15 HB3 ALA 3 2HB ALA 3 11.161 2.776 12.657 16 H GLU 4 H GLU 4 13.295 5.992 10.626 17 HA GLU 4 HA GLU 4 12.947 4.395 8.210 18 HB2 GLU 4 1HB GLU 4 13.309 7.363 8.639 19 HB3 GLU 4 2HB GLU 4 13.177 6.614 7.054 20 HG2 GLU 4 1HG GLU 4 11.032 5.942 8.948 21 HG3 GLU 4 2HG GLU 4 11.099 7.628 8.436 22 H ALA 5 H ALA 5 15.436 5.745 10.161 23 HA ALA 5 HA ALA 5 17.444 5.603 8.063 24 HB1 ALA 5 3HB ALA 5 17.397 7.411 9.820 25 HB2 ALA 5 1HB ALA 5 17.908 6.183 10.979 26 HB3 ALA 5 2HB ALA 5 18.943 6.589 9.609 27 H TYR 6 H TYR 6 16.427 3.824 10.912 28 HA TYR 6 HA TYR 6 18.688 2.047 10.876 29 HD1 TYR 6 HD2 TYR 6 19.002 -0.113 12.784 30 HD2 TYR 6 HD1 TYR 6 14.791 0.456 12.557 31 HE1 TYR 6 HE2 TYR 6 18.659 -2.497 13.282 32 HE2 TYR 6 HE1 TYR 6 14.436 -1.926 13.055 33 HH TYR 6 HH TYR 6 17.085 -4.194 13.165 34 HB2 TYR 6 1HB TYR 6 17.873 2.183 13.019 35 HB3 TYR 6 2HB TYR 6 16.200 2.319 12.491 36 H ALA 7 H ALA 7 15.215 1.289 10.633 37 HA ALA 7 HA ALA 7 15.386 -1.217 9.567 38 HB1 ALA 7 3HB ALA 7 13.251 -0.481 10.172 39 HB2 ALA 7 1HB ALA 7 13.352 0.947 9.142 40 HB3 ALA 7 2HB ALA 7 13.170 -0.651 8.419 41 H LYS 8 H LYS 8 16.210 1.741 8.033 42 HA LYS 8 HA LYS 8 15.814 1.348 5.367 43 HB2 LYS 8 1HB LYS 8 16.948 3.312 6.472 44 HB3 LYS 8 2HB LYS 8 18.422 2.354 6.510 45 HG2 LYS 8 1HG LYS 8 18.572 3.762 4.621 46 HG3 LYS 8 2HG LYS 8 18.225 2.142 4.014 47 HD2 LYS 8 1HD LYS 8 15.720 3.061 4.279 48 HD3 LYS 8 2HD LYS 8 16.557 4.586 3.983 49 HE2 LYS 8 1HE LYS 8 17.605 3.499 1.974 50 HE3 LYS 8 2HE LYS 8 16.519 2.134 2.232 51 HZ1 LYS 8 3HZ LYS 8 15.208 3.306 0.852 52 HZ2 LYS 8 1HZ LYS 8 15.949 4.787 1.200 53 HZ3 LYS 8 2HZ LYS 8 14.790 4.153 2.256 54 H ARG 9 H ARG 9 18.955 0.539 6.845 55 HA ARG 9 HA ARG 9 19.854 -1.067 4.757 56 HE ARG 9 HE ARG 9 22.859 0.543 8.866 57 HB2 ARG 9 1HB ARG 9 21.183 -2.149 6.834 58 HB3 ARG 9 2HB ARG 9 21.610 -0.603 6.113 59 HG2 ARG 9 1HG ARG 9 19.600 -0.532 8.274 60 HG3 ARG 9 2HG ARG 9 21.250 -0.955 8.737 61 HD2 ARG 9 1HD ARG 9 21.203 1.285 6.910 62 HD3 ARG 9 2HD ARG 9 20.219 1.600 8.339 63 HH11 ARG 9 2HH1 ARG 9 20.876 3.380 8.496 64 HH12 ARG 9 1HH1 ARG 9 21.948 4.406 9.391 65 HH21 ARG 9 2HH2 ARG 9 24.278 1.883 10.047 66 HH22 ARG 9 1HH2 ARG 9 23.883 3.553 10.273 67 H ILE 10 H ILE 10 18.626 -2.192 7.916 68 HA ILE 10 HA ILE 10 18.557 -4.847 7.648 69 HB ILE 10 HB ILE 10 15.982 -3.582 8.493 70 HG12 ILE 10 1HG1 ILE 10 17.521 -2.035 9.432 71 HG13 ILE 10 2HG1 ILE 10 17.116 -3.153 10.730 72 HG21 ILE 10 1HG2 ILE 10 16.289 -5.260 10.354 73 HG22 ILE 10 2HG2 ILE 10 16.058 -5.933 8.741 74 HG23 ILE 10 3HG2 ILE 10 17.672 -5.878 9.450 75 HD11 ILE 10 3HD1 ILE 10 19.548 -3.547 9.031 76 HD12 ILE 10 1HD1 ILE 10 19.558 -2.483 10.437 77 HD13 ILE 10 2HD1 ILE 10 19.195 -4.198 10.631 78 H ALA 11 H ALA 11 15.631 -3.040 6.716 79 HA ALA 11 HA ALA 11 14.205 -4.869 5.400 80 HB1 ALA 11 3HB ALA 11 13.821 -2.896 3.641 81 HB2 ALA 11 1HB ALA 11 13.155 -2.867 5.274 82 HB3 ALA 11 2HB ALA 11 14.639 -1.985 4.910 83 H GLU 12 H GLU 12 16.956 -3.147 3.951 84 HA GLU 12 HA GLU 12 16.818 -4.376 1.426 85 HB2 GLU 12 1HB GLU 12 18.717 -2.701 2.890 86 HB3 GLU 12 2HB GLU 12 19.498 -3.827 1.789 87 HG2 GLU 12 1HG GLU 12 17.643 -2.906 0.135 88 HG3 GLU 12 2HG GLU 12 17.741 -1.515 1.213 89 H ALA 13 H ALA 13 19.177 -5.028 4.024 90 HA ALA 13 HA ALA 13 20.285 -7.325 2.956 91 HB1 ALA 13 3HB ALA 13 20.675 -7.911 5.461 92 HB2 ALA 13 1HB ALA 13 21.443 -6.483 4.765 93 HB3 ALA 13 2HB ALA 13 19.990 -6.312 5.751 94 H MET 14 H MET 14 17.172 -6.876 4.333 95 HA MET 14 HA MET 14 16.772 -9.735 4.765 96 HB2 MET 14 1HB MET 14 15.018 -7.336 5.303 97 HB3 MET 14 2HB MET 14 14.503 -8.996 5.572 98 HG2 MET 14 1HG MET 14 16.946 -8.778 6.887 99 HG3 MET 14 2HG MET 14 16.100 -7.271 7.232 100 HE1 MET 14 3HE MET 14 16.507 -9.734 9.887 101 HE2 MET 14 1HE MET 14 16.602 -8.020 9.481 102 HE3 MET 14 2HE MET 14 15.267 -8.620 10.465 103 H ALA 15 H ALA 15 17.054 -8.278 2.088 104 HA ALA 15 HA ALA 15 14.602 -9.377 0.875 105 HB1 ALA 15 3HB ALA 15 15.073 -7.629 -0.959 106 HB2 ALA 15 1HB ALA 15 14.345 -7.090 0.555 107 HB3 ALA 15 2HB ALA 15 16.067 -6.837 0.264 108 H LYS 16 H LYS 16 18.067 -8.989 0.710 109 HA LYS 16 HA LYS 16 18.795 -9.800 -1.757 110 HB2 LYS 16 1HB LYS 16 20.805 -10.649 -0.845 111 HB3 LYS 16 2HB LYS 16 20.289 -9.377 0.254 112 HG2 LYS 16 1HG LYS 16 19.429 -11.017 1.807 113 HG3 LYS 16 2HG LYS 16 19.825 -12.322 0.686 114 HD2 LYS 16 1HD LYS 16 22.027 -12.269 1.201 115 HD3 LYS 16 2HD LYS 16 22.048 -10.514 1.390 116 HE2 LYS 16 1HE LYS 16 22.248 -10.981 3.578 117 HE3 LYS 16 2HE LYS 16 20.508 -11.251 3.499 118 HZ1 LYS 16 3HZ LYS 16 22.048 -13.047 4.518 119 HZ2 LYS 16 1HZ LYS 16 22.344 -13.470 2.907 120 HZ3 LYS 16 2HZ LYS 16 20.768 -13.518 3.519 121 H GLY 17 H GLY 17 19.129 -11.760 -2.856 122 HA2 GLY 17 1HA GLY 17 18.809 -14.329 -2.105 123 HA3 GLY 17 2HA GLY 17 17.146 -13.779 -2.246 Start of MODEL 10 1 HA SER 1 HA SER 1 12.864 10.590 11.001 2 HG SER 1 HG SER 1 9.971 9.113 11.935 3 H1 SER 1 1H SER 1 13.451 9.345 8.438 4 HB2 SER 1 1HB SER 1 10.673 9.801 9.988 5 HB3 SER 1 2HB SER 1 11.297 8.158 10.131 6 H ALA 2 H ALA 2 13.283 9.118 12.826 7 HA ALA 2 HA ALA 2 15.759 7.863 12.628 8 HB1 ALA 2 3HB ALA 2 14.168 8.610 14.684 9 HB2 ALA 2 1HB ALA 2 14.004 6.855 14.761 10 HB3 ALA 2 2HB ALA 2 15.602 7.598 14.856 11 H ALA 3 H ALA 3 12.503 6.454 12.600 12 HA ALA 3 HA ALA 3 13.382 3.756 12.449 13 HB1 ALA 3 3HB ALA 3 11.070 4.721 13.132 14 HB2 ALA 3 1HB ALA 3 10.725 4.641 11.404 15 HB3 ALA 3 2HB ALA 3 11.151 3.175 12.288 16 H GLU 4 H GLU 4 13.236 6.278 10.165 17 HA GLU 4 HA GLU 4 13.021 4.519 7.864 18 HB2 GLU 4 1HB GLU 4 13.558 7.492 7.976 19 HB3 GLU 4 2HB GLU 4 13.167 6.563 6.536 20 HG2 GLU 4 1HG GLU 4 11.192 6.237 8.637 21 HG3 GLU 4 2HG GLU 4 11.390 7.917 8.143 22 H ALA 5 H ALA 5 15.461 5.963 9.810 23 HA ALA 5 HA ALA 5 17.543 5.669 7.806 24 HB1 ALA 5 3HB ALA 5 17.319 6.918 10.467 25 HB2 ALA 5 1HB ALA 5 18.900 6.251 10.056 26 HB3 ALA 5 2HB ALA 5 18.159 7.469 9.017 27 H TYR 6 H TYR 6 16.336 4.010 10.641 28 HA TYR 6 HA TYR 6 18.579 2.205 10.801 29 HD1 TYR 6 HD2 TYR 6 18.754 0.079 12.682 30 HD2 TYR 6 HD1 TYR 6 14.566 0.804 12.486 31 HE1 TYR 6 HE2 TYR 6 18.326 -2.274 13.256 32 HE2 TYR 6 HE1 TYR 6 14.126 -1.547 13.060 33 HH TYR 6 HH TYR 6 15.280 -3.720 12.933 34 HB2 TYR 6 1HB TYR 6 17.674 2.440 12.897 35 HB3 TYR 6 2HB TYR 6 16.030 2.596 12.290 36 H ALA 7 H ALA 7 15.107 1.495 10.434 37 HA ALA 7 HA ALA 7 15.215 -1.049 9.520 38 HB1 ALA 7 3HB ALA 7 13.180 -0.325 8.038 39 HB2 ALA 7 1HB ALA 7 13.067 -0.293 9.798 40 HB3 ALA 7 2HB ALA 7 13.359 1.200 8.906 41 H LYS 8 H LYS 8 16.272 1.769 7.829 42 HA LYS 8 HA LYS 8 16.127 1.209 5.190 43 HB2 LYS 8 1HB LYS 8 17.443 3.065 6.527 44 HB3 LYS 8 2HB LYS 8 18.812 1.998 6.243 45 HG2 LYS 8 1HG LYS 8 19.021 3.225 4.373 46 HG3 LYS 8 2HG LYS 8 17.798 2.110 3.758 47 HD2 LYS 8 1HD LYS 8 16.242 3.982 4.961 48 HD3 LYS 8 2HD LYS 8 17.598 4.971 4.413 49 HE2 LYS 8 1HE LYS 8 17.214 4.485 2.180 50 HE3 LYS 8 2HE LYS 8 16.321 3.010 2.550 51 HZ1 LYS 8 3HZ LYS 8 14.495 4.216 2.266 52 HZ2 LYS 8 1HZ LYS 8 15.355 5.672 2.226 53 HZ3 LYS 8 2HZ LYS 8 14.866 5.020 3.707 54 H ARG 9 H ARG 9 18.996 0.216 7.065 55 HA ARG 9 HA ARG 9 19.959 -1.575 5.142 56 HE ARG 9 HE ARG 9 21.488 1.413 10.197 57 HB2 ARG 9 1HB ARG 9 21.031 -2.604 7.376 58 HB3 ARG 9 2HB ARG 9 21.621 -1.127 6.624 59 HG2 ARG 9 1HG ARG 9 19.445 -0.818 8.595 60 HG3 ARG 9 2HG ARG 9 21.018 -1.318 9.220 61 HD2 ARG 9 1HD ARG 9 21.535 0.739 7.387 62 HD3 ARG 9 2HD ARG 9 20.144 1.273 8.330 63 HH11 ARG 9 2HH1 ARG 9 23.196 -0.179 7.615 64 HH12 ARG 9 1HH1 ARG 9 24.731 -0.115 8.416 65 HH21 ARG 9 2HH2 ARG 9 23.503 1.504 11.262 66 HH22 ARG 9 1HH2 ARG 9 24.904 0.842 10.490 67 H ILE 10 H ILE 10 18.417 -2.393 8.257 68 HA ILE 10 HA ILE 10 18.145 -5.046 8.128 69 HB ILE 10 HB ILE 10 15.638 -3.529 8.730 70 HG12 ILE 10 1HG1 ILE 10 17.240 -2.060 9.688 71 HG13 ILE 10 2HG1 ILE 10 16.663 -3.065 11.013 72 HG21 ILE 10 1HG2 ILE 10 17.064 -5.897 9.915 73 HG22 ILE 10 2HG2 ILE 10 15.691 -5.114 10.696 74 HG23 ILE 10 3HG2 ILE 10 15.495 -5.859 9.110 75 HD11 ILE 10 3HD1 ILE 10 19.166 -2.611 10.848 76 HD12 ILE 10 1HD1 ILE 10 18.649 -4.276 11.110 77 HD13 ILE 10 2HD1 ILE 10 19.154 -3.751 9.503 78 H ALA 11 H ALA 11 15.446 -3.065 6.907 79 HA ALA 11 HA ALA 11 13.950 -4.842 5.600 80 HB1 ALA 11 3HB ALA 11 13.103 -2.761 5.296 81 HB2 ALA 11 1HB ALA 11 14.680 -2.045 4.964 82 HB3 ALA 11 2HB ALA 11 13.846 -2.964 3.710 83 H GLU 12 H GLU 12 16.927 -3.452 4.238 84 HA GLU 12 HA GLU 12 16.841 -4.821 1.787 85 HB2 GLU 12 1HB GLU 12 18.786 -3.230 3.282 86 HB3 GLU 12 2HB GLU 12 19.532 -4.488 2.306 87 HG2 GLU 12 1HG GLU 12 17.880 -3.517 0.475 88 HG3 GLU 12 2HG GLU 12 18.035 -2.073 1.474 89 H ALA 13 H ALA 13 18.964 -5.515 4.572 90 HA ALA 13 HA ALA 13 19.955 -7.942 3.736 91 HB1 ALA 13 3HB ALA 13 19.618 -6.611 6.336 92 HB2 ALA 13 1HB ALA 13 19.817 -8.363 6.402 93 HB3 ALA 13 2HB ALA 13 21.042 -7.364 5.619 94 H MET 14 H MET 14 16.758 -7.194 4.703 95 HA MET 14 HA MET 14 16.095 -10.011 5.156 96 HB2 MET 14 1HB MET 14 14.457 -7.501 5.548 97 HB3 MET 14 2HB MET 14 13.880 -9.131 5.869 98 HG2 MET 14 1HG MET 14 15.832 -9.343 7.476 99 HG3 MET 14 2HG MET 14 16.022 -7.600 7.303 100 HE1 MET 14 3HE MET 14 15.996 -8.295 9.859 101 HE2 MET 14 1HE MET 14 14.558 -7.952 10.820 102 HE3 MET 14 2HE MET 14 14.852 -9.586 10.227 103 H ALA 15 H ALA 15 16.767 -8.866 2.511 104 HA ALA 15 HA ALA 15 14.299 -9.667 1.127 105 HB1 ALA 15 3HB ALA 15 14.115 -7.474 0.596 106 HB2 ALA 15 1HB ALA 15 15.837 -7.161 0.817 107 HB3 ALA 15 2HB ALA 15 15.263 -7.931 -0.663 108 H LYS 16 H LYS 16 17.802 -9.392 1.098 109 HA LYS 16 HA LYS 16 18.109 -10.837 -1.371 110 HB2 LYS 16 1HB LYS 16 19.795 -9.222 -0.806 111 HB3 LYS 16 2HB LYS 16 20.075 -9.980 0.756 112 HG2 LYS 16 1HG LYS 16 20.850 -12.020 -0.487 113 HG3 LYS 16 2HG LYS 16 20.783 -11.052 -1.962 114 HD2 LYS 16 1HD LYS 16 22.262 -9.384 -0.640 115 HD3 LYS 16 2HD LYS 16 22.587 -10.764 0.412 116 HE2 LYS 16 1HE LYS 16 24.112 -11.487 -1.030 117 HE3 LYS 16 2HE LYS 16 22.859 -11.654 -2.258 118 HZ1 LYS 16 3HZ LYS 16 23.625 -9.889 -3.339 119 HZ2 LYS 16 1HZ LYS 16 24.988 -9.942 -2.337 120 HZ3 LYS 16 2HZ LYS 16 23.683 -8.942 -1.939 121 H GLY 17 H GLY 17 19.035 -11.564 2.004 122 HA2 GLY 17 1HA GLY 17 18.699 -14.426 1.342 123 HA3 GLY 17 2HA GLY 17 19.943 -13.832 2.432 Start of MODEL 11 1 HA SER 1 HA SER 1 12.767 10.336 11.375 2 HG SER 1 HG SER 1 9.345 9.640 11.631 3 H1 SER 1 1H SER 1 11.886 9.005 8.940 4 HB2 SER 1 1HB SER 1 10.882 8.004 10.955 5 HB3 SER 1 2HB SER 1 11.223 8.760 12.511 6 H ALA 2 H ALA 2 13.357 8.794 13.238 7 HA ALA 2 HA ALA 2 15.821 7.631 12.730 8 HB1 ALA 2 3HB ALA 2 15.173 6.341 14.970 9 HB2 ALA 2 1HB ALA 2 15.603 8.051 14.948 10 HB3 ALA 2 2HB ALA 2 13.907 7.569 14.988 11 H ALA 3 H ALA 3 12.669 6.025 13.129 12 HA ALA 3 HA ALA 3 13.616 3.400 12.728 13 HB1 ALA 3 3HB ALA 3 11.397 2.733 12.744 14 HB2 ALA 3 1HB ALA 3 11.355 4.230 13.675 15 HB3 ALA 3 2HB ALA 3 10.837 4.225 11.989 16 H GLU 4 H GLU 4 13.128 5.983 10.555 17 HA GLU 4 HA GLU 4 12.765 4.285 8.228 18 HB2 GLU 4 1HB GLU 4 13.100 7.277 8.494 19 HB3 GLU 4 2HB GLU 4 12.812 6.439 6.975 20 HG2 GLU 4 1HG GLU 4 10.765 5.501 8.482 21 HG3 GLU 4 2HG GLU 4 10.956 7.127 9.135 22 H ALA 5 H ALA 5 15.324 5.782 9.972 23 HA ALA 5 HA ALA 5 17.206 5.616 7.761 24 HB1 ALA 5 3HB ALA 5 18.097 6.213 10.533 25 HB2 ALA 5 1HB ALA 5 18.622 6.908 8.999 26 HB3 ALA 5 2HB ALA 5 17.082 7.396 9.708 27 H TYR 6 H TYR 6 16.285 3.823 10.597 28 HA TYR 6 HA TYR 6 18.641 2.147 10.559 29 HD1 TYR 6 HD2 TYR 6 19.116 0.065 12.486 30 HD2 TYR 6 HD1 TYR 6 14.879 0.454 12.446 31 HE1 TYR 6 HE2 TYR 6 18.898 -2.318 13.057 32 HE2 TYR 6 HE1 TYR 6 14.649 -1.927 13.019 33 HH TYR 6 HH TYR 6 16.053 -3.692 14.151 34 HB2 TYR 6 1HB TYR 6 17.894 2.321 12.727 35 HB3 TYR 6 2HB TYR 6 16.199 2.368 12.255 36 H ALA 7 H ALA 7 15.185 1.282 10.457 37 HA ALA 7 HA ALA 7 15.396 -1.243 9.443 38 HB1 ALA 7 3HB ALA 7 13.210 -0.981 9.777 39 HB2 ALA 7 1HB ALA 7 13.315 0.769 9.582 40 HB3 ALA 7 2HB ALA 7 13.142 -0.269 8.166 41 H LYS 8 H LYS 8 16.077 1.700 7.817 42 HA LYS 8 HA LYS 8 15.595 1.233 5.175 43 HB2 LYS 8 1HB LYS 8 16.917 3.151 6.469 44 HB3 LYS 8 2HB LYS 8 18.306 2.262 5.858 45 HG2 LYS 8 1HG LYS 8 16.965 2.419 3.590 46 HG3 LYS 8 2HG LYS 8 16.252 3.822 4.391 47 HD2 LYS 8 1HD LYS 8 18.964 4.074 4.892 48 HD3 LYS 8 2HD LYS 8 18.894 3.483 3.230 49 HE2 LYS 8 1HE LYS 8 17.152 5.747 4.137 50 HE3 LYS 8 2HE LYS 8 18.825 6.030 3.657 51 HZ1 LYS 8 3HZ LYS 8 17.677 6.337 1.701 52 HZ2 LYS 8 1HZ LYS 8 16.560 5.106 2.018 53 HZ3 LYS 8 2HZ LYS 8 18.142 4.716 1.562 54 H ARG 9 H ARG 9 18.815 0.565 6.547 55 HA ARG 9 HA ARG 9 19.687 -1.064 4.467 56 HE ARG 9 HE ARG 9 19.913 2.393 8.890 57 HB2 ARG 9 1HB ARG 9 21.142 -2.048 6.495 58 HB3 ARG 9 2HB ARG 9 21.468 -0.487 5.753 59 HG2 ARG 9 1HG ARG 9 19.533 -0.452 7.966 60 HG3 ARG 9 2HG ARG 9 21.190 -0.876 8.402 61 HD2 ARG 9 1HD ARG 9 22.015 1.162 7.402 62 HD3 ARG 9 2HD ARG 9 20.400 1.566 6.820 63 HH11 ARG 9 2HH1 ARG 9 22.687 0.305 9.142 64 HH12 ARG 9 1HH1 ARG 9 22.990 0.691 10.803 65 HH21 ARG 9 2HH2 ARG 9 20.301 2.909 11.078 66 HH22 ARG 9 1HH2 ARG 9 21.632 2.171 11.904 67 H ILE 10 H ILE 10 18.610 -2.145 7.695 68 HA ILE 10 HA ILE 10 18.623 -4.808 7.496 69 HB ILE 10 HB ILE 10 16.038 -3.606 8.402 70 HG12 ILE 10 1HG1 ILE 10 17.555 -1.985 9.247 71 HG13 ILE 10 2HG1 ILE 10 17.235 -3.083 10.585 72 HG21 ILE 10 1HG2 ILE 10 16.204 -5.947 8.703 73 HG22 ILE 10 2HG2 ILE 10 17.837 -5.819 9.354 74 HG23 ILE 10 3HG2 ILE 10 16.466 -5.224 10.290 75 HD11 ILE 10 3HD1 ILE 10 19.342 -4.062 10.436 76 HD12 ILE 10 1HD1 ILE 10 19.618 -3.439 8.810 77 HD13 ILE 10 2HD1 ILE 10 19.640 -2.341 10.190 78 H ALA 11 H ALA 11 15.606 -3.122 6.626 79 HA ALA 11 HA ALA 11 14.196 -5.030 5.409 80 HB1 ALA 11 3HB ALA 11 13.070 -3.074 5.256 81 HB2 ALA 11 1HB ALA 11 14.514 -2.148 4.844 82 HB3 ALA 11 2HB ALA 11 13.700 -3.109 3.609 83 H GLU 12 H GLU 12 16.835 -3.259 3.814 84 HA GLU 12 HA GLU 12 16.650 -4.559 1.330 85 HB2 GLU 12 1HB GLU 12 18.544 -2.789 2.683 86 HB3 GLU 12 2HB GLU 12 19.323 -3.919 1.586 87 HG2 GLU 12 1HG GLU 12 17.385 -3.101 -0.027 88 HG3 GLU 12 2HG GLU 12 17.475 -1.679 1.010 89 H ALA 13 H ALA 13 19.117 -5.071 3.859 90 HA ALA 13 HA ALA 13 20.329 -7.310 2.853 91 HB1 ALA 13 3HB ALA 13 21.424 -6.607 4.708 92 HB2 ALA 13 1HB ALA 13 19.937 -6.231 5.579 93 HB3 ALA 13 2HB ALA 13 20.486 -7.902 5.451 94 H MET 14 H MET 14 17.226 -7.082 4.448 95 HA MET 14 HA MET 14 16.940 -9.972 4.597 96 HB2 MET 14 1HB MET 14 15.027 -7.748 5.328 97 HB3 MET 14 2HB MET 14 14.735 -9.460 5.603 98 HG2 MET 14 1HG MET 14 17.136 -9.140 6.817 99 HG3 MET 14 2HG MET 14 16.397 -7.564 7.091 100 HE1 MET 14 3HE MET 14 16.262 -9.985 10.250 101 HE2 MET 14 1HE MET 14 17.376 -9.094 9.213 102 HE3 MET 14 2HE MET 14 16.148 -8.228 10.136 103 H ALA 15 H ALA 15 17.160 -8.518 2.004 104 HA ALA 15 HA ALA 15 14.658 -9.517 0.811 105 HB1 ALA 15 3HB ALA 15 14.276 -7.622 -0.336 106 HB2 ALA 15 1HB ALA 15 15.270 -6.882 0.919 107 HB3 ALA 15 2HB ALA 15 15.990 -7.328 -0.628 108 H LYS 16 H LYS 16 18.114 -9.124 0.597 109 HA LYS 16 HA LYS 16 18.687 -9.870 -1.978 110 HB2 LYS 16 1HB LYS 16 20.830 -10.511 -1.228 111 HB3 LYS 16 2HB LYS 16 20.302 -9.267 -0.103 112 HG2 LYS 16 1HG LYS 16 19.882 -10.830 1.599 113 HG3 LYS 16 2HG LYS 16 19.950 -12.190 0.476 114 HD2 LYS 16 1HD LYS 16 22.207 -12.283 0.524 115 HD3 LYS 16 2HD LYS 16 22.380 -10.528 0.609 116 HE2 LYS 16 1HE LYS 16 22.818 -10.708 2.778 117 HE3 LYS 16 2HE LYS 16 21.193 -11.344 3.030 118 HZ1 LYS 16 3HZ LYS 16 22.006 -13.562 2.685 119 HZ2 LYS 16 1HZ LYS 16 22.945 -12.818 3.879 120 HZ3 LYS 16 2HZ LYS 16 23.555 -12.993 2.312 121 H GLY 17 H GLY 17 17.544 -11.877 0.652 122 HA2 GLY 17 1HA GLY 17 16.349 -13.838 -0.778 123 HA3 GLY 17 2HA GLY 17 18.029 -14.352 -0.760 Start of MODEL 12 1 HA SER 1 HA SER 1 16.577 10.013 10.381 2 HG SER 1 HG SER 1 14.562 11.333 10.420 3 H1 SER 1 1H SER 1 16.328 7.743 8.528 4 HB2 SER 1 1HB SER 1 14.296 9.624 9.000 5 HB3 SER 1 2HB SER 1 13.990 8.558 10.372 6 H ALA 2 H ALA 2 15.335 9.193 12.550 7 HA ALA 2 HA ALA 2 17.039 7.377 13.765 8 HB1 ALA 2 3HB ALA 2 14.912 8.976 14.567 9 HB2 ALA 2 1HB ALA 2 14.428 7.337 15.003 10 HB3 ALA 2 2HB ALA 2 15.950 7.998 15.603 11 H ALA 3 H ALA 3 13.866 6.820 12.295 12 HA ALA 3 HA ALA 3 14.327 3.921 12.566 13 HB1 ALA 3 3HB ALA 3 11.884 5.580 12.794 14 HB2 ALA 3 1HB ALA 3 11.716 3.994 12.039 15 HB3 ALA 3 2HB ALA 3 12.359 4.129 13.677 16 H GLU 4 H GLU 4 14.094 6.506 10.388 17 HA GLU 4 HA GLU 4 13.162 4.970 8.132 18 HB2 GLU 4 1HB GLU 4 14.398 7.726 8.266 19 HB3 GLU 4 2HB GLU 4 13.674 7.010 6.833 20 HG2 GLU 4 1HG GLU 4 11.672 6.764 8.675 21 HG3 GLU 4 2HG GLU 4 12.420 8.294 9.130 22 H ALA 5 H ALA 5 16.171 5.633 9.649 23 HA ALA 5 HA ALA 5 17.715 4.870 7.291 24 HB1 ALA 5 3HB ALA 5 18.252 6.720 9.145 25 HB2 ALA 5 1HB ALA 5 19.075 5.341 9.874 26 HB3 ALA 5 2HB ALA 5 19.508 5.869 8.247 27 H TYR 6 H TYR 6 16.679 3.616 10.375 28 HA TYR 6 HA TYR 6 18.488 1.393 10.398 29 HD1 TYR 6 HD2 TYR 6 18.433 -0.599 12.592 30 HD2 TYR 6 HD1 TYR 6 14.416 0.740 12.172 31 HE1 TYR 6 HE2 TYR 6 17.628 -2.815 13.289 32 HE2 TYR 6 HE1 TYR 6 13.599 -1.473 12.869 33 HH TYR 6 HH TYR 6 14.862 -3.489 14.439 34 HB2 TYR 6 1HB TYR 6 17.808 1.855 12.543 35 HB3 TYR 6 2HB TYR 6 16.178 2.297 12.048 36 H ALA 7 H ALA 7 14.927 1.357 10.308 37 HA ALA 7 HA ALA 7 14.472 -1.178 9.489 38 HB1 ALA 7 3HB ALA 7 13.046 1.366 8.823 39 HB2 ALA 7 1HB ALA 7 12.490 -0.173 8.164 40 HB3 ALA 7 2HB ALA 7 12.563 0.065 9.911 41 H LYS 8 H LYS 8 15.316 1.537 7.372 42 HA LYS 8 HA LYS 8 15.030 0.434 4.891 43 HB2 LYS 8 1HB LYS 8 16.143 2.721 5.833 44 HB3 LYS 8 2HB LYS 8 17.581 1.872 5.283 45 HG2 LYS 8 1HG LYS 8 17.092 2.878 3.336 46 HG3 LYS 8 2HG LYS 8 15.992 1.510 3.147 47 HD2 LYS 8 1HD LYS 8 14.691 3.538 4.677 48 HD3 LYS 8 2HD LYS 8 15.366 4.269 3.219 49 HE2 LYS 8 1HE LYS 8 14.184 2.752 1.818 50 HE3 LYS 8 2HE LYS 8 13.708 1.756 3.192 51 HZ1 LYS 8 3HZ LYS 8 12.875 4.517 3.362 52 HZ2 LYS 8 1HZ LYS 8 12.004 3.101 3.675 53 HZ3 LYS 8 2HZ LYS 8 12.172 3.656 2.087 54 H ARG 9 H ARG 9 17.999 0.237 6.863 55 HA ARG 9 HA ARG 9 19.408 -1.476 5.166 56 HE ARG 9 HE ARG 9 22.376 -0.305 9.555 57 HB2 ARG 9 1HB ARG 9 19.818 -1.778 8.091 58 HB3 ARG 9 2HB ARG 9 20.997 -1.550 6.807 59 HG2 ARG 9 1HG ARG 9 19.792 0.847 6.743 60 HG3 ARG 9 2HG ARG 9 19.568 0.437 8.445 61 HD2 ARG 9 1HD ARG 9 22.256 -0.008 7.274 62 HD3 ARG 9 2HD ARG 9 21.753 1.663 7.533 63 HH11 ARG 9 2HH1 ARG 9 20.835 2.731 8.831 64 HH12 ARG 9 1HH1 ARG 9 20.894 3.301 10.466 65 HH21 ARG 9 2HH2 ARG 9 22.460 0.433 11.712 66 HH22 ARG 9 1HH2 ARG 9 21.820 1.993 12.104 67 H ILE 10 H ILE 10 17.683 -2.338 8.171 68 HA ILE 10 HA ILE 10 17.901 -4.990 8.300 69 HB ILE 10 HB ILE 10 15.100 -3.944 8.397 70 HG12 ILE 10 1HG1 ILE 10 16.252 -2.113 9.380 71 HG13 ILE 10 2HG1 ILE 10 15.671 -3.090 10.723 72 HG21 ILE 10 1HG2 ILE 10 16.738 -5.872 10.023 73 HG22 ILE 10 2HG2 ILE 10 15.141 -5.313 10.516 74 HG23 ILE 10 3HG2 ILE 10 15.333 -6.217 9.015 75 HD11 ILE 10 3HD1 ILE 10 18.444 -3.409 9.642 76 HD12 ILE 10 1HD1 ILE 10 18.048 -2.178 10.841 77 HD13 ILE 10 2HD1 ILE 10 17.805 -3.884 11.216 78 H ALA 11 H ALA 11 15.099 -3.686 6.526 79 HA ALA 11 HA ALA 11 14.174 -5.836 5.242 80 HB1 ALA 11 3HB ALA 11 12.977 -4.040 4.580 81 HB2 ALA 11 1HB ALA 11 14.397 -3.001 4.460 82 HB3 ALA 11 2HB ALA 11 14.023 -4.138 3.164 83 H GLU 12 H GLU 12 16.992 -3.972 4.134 84 HA GLU 12 HA GLU 12 17.525 -5.513 1.844 85 HB2 GLU 12 1HB GLU 12 18.888 -3.443 3.397 86 HB3 GLU 12 2HB GLU 12 19.996 -4.590 2.656 87 HG2 GLU 12 1HG GLU 12 18.466 -4.125 0.543 88 HG3 GLU 12 2HG GLU 12 18.191 -2.608 1.399 89 H ALA 13 H ALA 13 19.304 -5.539 4.939 90 HA ALA 13 HA ALA 13 20.753 -7.880 4.404 91 HB1 ALA 13 3HB ALA 13 20.780 -7.902 7.061 92 HB2 ALA 13 1HB ALA 13 21.713 -6.739 6.119 93 HB3 ALA 13 2HB ALA 13 20.165 -6.266 6.821 94 H MET 14 H MET 14 17.474 -7.507 4.993 95 HA MET 14 HA MET 14 17.226 -10.297 5.907 96 HB2 MET 14 1HB MET 14 15.434 -9.752 7.212 97 HB3 MET 14 2HB MET 14 16.274 -8.208 7.255 98 HG2 MET 14 1HG MET 14 14.305 -7.357 6.653 99 HG3 MET 14 2HG MET 14 14.739 -7.913 5.039 100 HE1 MET 14 3HE MET 14 12.665 -8.122 8.059 101 HE2 MET 14 1HE MET 14 11.515 -7.677 6.798 102 HE3 MET 14 2HE MET 14 11.337 -9.210 7.652 103 H ALA 15 H ALA 15 17.256 -8.704 3.170 104 HA ALA 15 HA ALA 15 14.916 -10.097 2.039 105 HB1 ALA 15 3HB ALA 15 14.462 -7.879 1.607 106 HB2 ALA 15 1HB ALA 15 16.161 -7.464 1.379 107 HB3 ALA 15 2HB ALA 15 15.297 -8.364 0.131 108 H LYS 16 H LYS 16 18.313 -9.261 1.561 109 HA LYS 16 HA LYS 16 18.567 -10.820 -0.839 110 HB2 LYS 16 1HB LYS 16 20.002 -8.901 -0.549 111 HB3 LYS 16 2HB LYS 16 20.619 -9.537 0.971 112 HG2 LYS 16 1HG LYS 16 21.643 -11.407 -0.243 113 HG3 LYS 16 2HG LYS 16 21.054 -10.727 -1.762 114 HD2 LYS 16 1HD LYS 16 22.561 -8.848 -0.087 115 HD3 LYS 16 2HD LYS 16 23.500 -10.223 -0.672 116 HE2 LYS 16 1HE LYS 16 23.238 -9.631 -2.883 117 HE3 LYS 16 2HE LYS 16 21.751 -8.735 -2.576 118 HZ1 LYS 16 3HZ LYS 16 23.848 -7.412 -3.089 119 HZ2 LYS 16 1HZ LYS 16 24.349 -7.804 -1.522 120 HZ3 LYS 16 2HZ LYS 16 22.928 -6.919 -1.758 121 H GLY 17 H GLY 17 19.798 -11.168 2.493 122 HA2 GLY 17 1HA GLY 17 20.824 -13.793 2.038 123 HA3 GLY 17 2HA GLY 17 20.626 -13.011 3.599 Start of MODEL 13 1 HA SER 1 HA SER 1 15.356 9.841 10.500 2 HG SER 1 HG SER 1 14.765 11.678 11.738 3 H1 SER 1 1H SER 1 12.999 8.524 9.549 4 HB2 SER 1 1HB SER 1 12.553 10.215 10.731 5 HB3 SER 1 2HB SER 1 13.191 10.062 12.368 6 H ALA 2 H ALA 2 12.992 8.069 12.474 7 HA ALA 2 HA ALA 2 15.239 6.980 14.031 8 HB1 ALA 2 3HB ALA 2 14.031 8.063 15.619 9 HB2 ALA 2 1HB ALA 2 12.510 7.884 14.745 10 HB3 ALA 2 2HB ALA 2 13.174 6.522 15.648 11 H ALA 3 H ALA 3 12.614 6.146 11.982 12 HA ALA 3 HA ALA 3 13.153 3.295 12.477 13 HB1 ALA 3 3HB ALA 3 10.509 3.482 11.551 14 HB2 ALA 3 1HB ALA 3 11.063 2.991 13.152 15 HB3 ALA 3 2HB ALA 3 10.672 4.682 12.834 16 H GLU 4 H GLU 4 13.194 5.811 10.316 17 HA GLU 4 HA GLU 4 12.693 4.112 7.980 18 HB2 GLU 4 1HB GLU 4 13.313 7.048 7.861 19 HB3 GLU 4 2HB GLU 4 12.425 6.062 6.708 20 HG2 GLU 4 1HG GLU 4 10.971 5.880 9.074 21 HG3 GLU 4 2HG GLU 4 11.463 7.569 8.964 22 H ALA 5 H ALA 5 15.217 5.595 9.787 23 HA ALA 5 HA ALA 5 17.168 5.372 7.645 24 HB1 ALA 5 3HB ALA 5 16.991 6.781 10.159 25 HB2 ALA 5 1HB ALA 5 18.528 5.931 10.006 26 HB3 ALA 5 2HB ALA 5 18.032 7.086 8.768 27 H TYR 6 H TYR 6 16.228 3.698 10.577 28 HA TYR 6 HA TYR 6 18.513 1.929 10.511 29 HD1 TYR 6 HD1 TYR 6 18.952 -0.149 12.394 30 HD2 TYR 6 HD2 TYR 6 14.764 0.524 12.716 31 HE1 TYR 6 HE1 TYR 6 18.633 -2.494 13.065 32 HE2 TYR 6 HE2 TYR 6 14.433 -1.818 13.389 33 HH TYR 6 HH TYR 6 17.181 -4.002 13.853 34 HB2 TYR 6 1HB TYR 6 17.874 2.205 12.700 35 HB3 TYR 6 2HB TYR 6 16.165 2.329 12.300 36 H ALA 7 H ALA 7 15.030 1.187 10.601 37 HA ALA 7 HA ALA 7 15.117 -1.381 9.669 38 HB1 ALA 7 3HB ALA 7 12.800 -0.839 8.675 39 HB2 ALA 7 1HB ALA 7 13.037 -0.662 10.414 40 HB3 ALA 7 2HB ALA 7 13.046 0.762 9.372 41 H LYS 8 H LYS 8 15.794 1.485 7.912 42 HA LYS 8 HA LYS 8 15.159 0.776 5.302 43 HB2 LYS 8 1HB LYS 8 16.787 2.756 6.612 44 HB3 LYS 8 2HB LYS 8 17.624 2.144 5.192 45 HG2 LYS 8 1HG LYS 8 14.765 3.005 5.022 46 HG3 LYS 8 2HG LYS 8 16.075 4.186 4.949 47 HD2 LYS 8 1HD LYS 8 16.943 2.305 3.183 48 HD3 LYS 8 2HD LYS 8 15.194 2.213 2.961 49 HE2 LYS 8 1HE LYS 8 15.757 3.855 1.450 50 HE3 LYS 8 2HE LYS 8 15.359 4.817 2.872 51 HZ1 LYS 8 3HZ LYS 8 17.494 5.439 3.161 52 HZ2 LYS 8 1HZ LYS 8 17.597 5.130 1.501 53 HZ3 LYS 8 2HZ LYS 8 18.132 3.972 2.611 54 H ARG 9 H ARG 9 18.476 0.644 6.601 55 HA ARG 9 HA ARG 9 19.565 -0.955 4.637 56 HE ARG 9 HE ARG 9 22.728 2.591 8.306 57 HB2 ARG 9 1HB ARG 9 20.502 -1.393 7.428 58 HB3 ARG 9 2HB ARG 9 21.431 -1.101 5.964 59 HG2 ARG 9 1HG ARG 9 20.219 1.277 6.199 60 HG3 ARG 9 2HG ARG 9 20.287 0.805 7.899 61 HD2 ARG 9 1HD ARG 9 22.797 0.180 6.792 62 HD3 ARG 9 2HD ARG 9 22.378 1.788 6.201 63 HH11 ARG 9 2HH1 ARG 9 22.198 -0.844 8.501 64 HH12 ARG 9 1HH1 ARG 9 22.541 -0.933 10.197 65 HH21 ARG 9 2HH2 ARG 9 23.182 2.487 10.539 66 HH22 ARG 9 1HH2 ARG 9 23.099 0.963 11.355 67 H ILE 10 H ILE 10 18.455 -2.082 7.838 68 HA ILE 10 HA ILE 10 18.781 -4.732 7.715 69 HB ILE 10 HB ILE 10 16.034 -3.813 8.458 70 HG12 ILE 10 1HG1 ILE 10 17.298 -2.009 9.334 71 HG13 ILE 10 2HG1 ILE 10 17.057 -3.111 10.685 72 HG21 ILE 10 1HG2 ILE 10 16.452 -6.112 8.836 73 HG22 ILE 10 2HG2 ILE 10 18.022 -5.779 9.565 74 HG23 ILE 10 3HG2 ILE 10 16.543 -5.326 10.412 75 HD11 ILE 10 3HD1 ILE 10 19.470 -3.817 9.358 76 HD12 ILE 10 1HD1 ILE 10 19.475 -2.081 9.672 77 HD13 ILE 10 2HD1 ILE 10 19.238 -3.217 11.001 78 H ALA 11 H ALA 11 15.643 -3.420 6.653 79 HA ALA 11 HA ALA 11 14.537 -5.514 5.414 80 HB1 ALA 11 3HB ALA 11 13.683 -3.841 3.653 81 HB2 ALA 11 1HB ALA 11 13.295 -3.549 5.349 82 HB3 ALA 11 2HB ALA 11 14.592 -2.640 4.571 83 H GLU 12 H GLU 12 17.016 -3.447 3.928 84 HA GLU 12 HA GLU 12 17.106 -4.768 1.448 85 HB2 GLU 12 1HB GLU 12 18.707 -2.777 2.873 86 HB3 GLU 12 2HB GLU 12 19.667 -3.810 1.823 87 HG2 GLU 12 1HG GLU 12 17.724 -3.237 0.114 88 HG3 GLU 12 2HG GLU 12 17.594 -1.810 1.141 89 H ALA 13 H ALA 13 19.480 -4.974 4.107 90 HA ALA 13 HA ALA 13 20.841 -7.204 3.080 91 HB1 ALA 13 3HB ALA 13 21.955 -5.884 4.689 92 HB2 ALA 13 1HB ALA 13 20.649 -6.073 5.859 93 HB3 ALA 13 2HB ALA 13 21.677 -7.448 5.455 94 H MET 14 H MET 14 17.760 -6.999 4.413 95 HA MET 14 HA MET 14 17.773 -9.859 5.118 96 HB2 MET 14 1HB MET 14 16.266 -9.477 6.790 97 HB3 MET 14 2HB MET 14 17.055 -7.906 6.779 98 HG2 MET 14 1HG MET 14 14.983 -7.098 6.645 99 HG3 MET 14 2HG MET 14 15.098 -7.527 4.940 100 HE1 MET 14 3HE MET 14 12.400 -9.238 8.118 101 HE2 MET 14 1HE MET 14 14.110 -9.529 8.436 102 HE3 MET 14 2HE MET 14 13.524 -7.881 8.209 103 H ALA 15 H ALA 15 17.207 -8.088 2.554 104 HA ALA 15 HA ALA 15 14.740 -9.519 1.805 105 HB1 ALA 15 3HB ALA 15 14.253 -7.199 1.797 106 HB2 ALA 15 1HB ALA 15 15.743 -6.820 0.932 107 HB3 ALA 15 2HB ALA 15 14.440 -7.681 0.111 108 H LYS 16 H LYS 16 18.040 -8.842 1.040 109 HA LYS 16 HA LYS 16 18.230 -9.429 -1.640 110 HB2 LYS 16 1HB LYS 16 20.505 -9.838 -1.293 111 HB3 LYS 16 2HB LYS 16 20.071 -8.781 0.044 112 HG2 LYS 16 1HG LYS 16 19.800 -10.833 1.457 113 HG3 LYS 16 2HG LYS 16 20.490 -11.758 0.121 114 HD2 LYS 16 1HD LYS 16 22.466 -10.176 0.226 115 HD3 LYS 16 2HD LYS 16 21.796 -9.589 1.750 116 HE2 LYS 16 1HE LYS 16 22.017 -11.731 2.763 117 HE3 LYS 16 2HE LYS 16 22.392 -12.492 1.217 118 HZ1 LYS 16 3HZ LYS 16 24.516 -12.175 1.713 119 HZ2 LYS 16 1HZ LYS 16 24.141 -11.227 3.063 120 HZ3 LYS 16 2HZ LYS 16 24.273 -10.510 1.537 121 H GLY 17 H GLY 17 17.867 -11.652 1.068 122 HA2 GLY 17 1HA GLY 17 18.106 -13.974 -0.669 123 HA3 GLY 17 2HA GLY 17 17.849 -13.993 1.069 Start of MODEL 14 1 HA SER 1 HA SER 1 13.732 10.640 12.524 2 HG SER 1 HG SER 1 10.380 10.324 12.888 3 H1 SER 1 1H SER 1 12.974 9.870 9.854 4 HB2 SER 1 1HB SER 1 11.492 9.225 11.255 5 HB3 SER 1 2HB SER 1 11.937 8.584 12.836 6 H ALA 2 H ALA 2 13.571 8.561 14.124 7 HA ALA 2 HA ALA 2 16.022 7.152 13.659 8 HB1 ALA 2 3HB ALA 2 15.666 7.727 15.893 9 HB2 ALA 2 1HB ALA 2 14.001 7.144 15.875 10 HB3 ALA 2 2HB ALA 2 15.339 5.995 15.843 11 H ALA 3 H ALA 3 12.722 6.547 12.991 12 HA ALA 3 HA ALA 3 13.092 3.657 12.819 13 HB1 ALA 3 3HB ALA 3 10.647 3.731 12.125 14 HB2 ALA 3 1HB ALA 3 11.023 4.224 13.776 15 HB3 ALA 3 2HB ALA 3 10.693 5.443 12.544 16 H GLU 4 H GLU 4 13.260 6.426 10.837 17 HA GLU 4 HA GLU 4 12.744 4.960 8.374 18 HB2 GLU 4 1HB GLU 4 12.581 6.991 7.315 19 HB3 GLU 4 2HB GLU 4 12.122 7.457 8.947 20 HG2 GLU 4 1HG GLU 4 14.311 8.327 9.379 21 HG3 GLU 4 2HG GLU 4 14.906 7.712 7.838 22 H ALA 5 H ALA 5 15.385 5.949 10.343 23 HA ALA 5 HA ALA 5 17.338 5.598 8.207 24 HB1 ALA 5 3HB ALA 5 17.899 6.191 11.103 25 HB2 ALA 5 1HB ALA 5 18.960 6.442 9.717 26 HB3 ALA 5 2HB ALA 5 17.517 7.437 9.915 27 H TYR 6 H TYR 6 15.948 3.858 10.843 28 HA TYR 6 HA TYR 6 18.087 1.912 10.988 29 HD1 TYR 6 HD1 TYR 6 18.093 -0.260 12.923 30 HD2 TYR 6 HD2 TYR 6 13.974 0.637 12.351 31 HE1 TYR 6 HE1 TYR 6 17.525 -2.612 13.368 32 HE2 TYR 6 HE2 TYR 6 13.394 -1.711 12.796 33 HH TYR 6 HH TYR 6 14.237 -3.810 12.990 34 HB2 TYR 6 1HB TYR 6 17.144 2.111 13.076 35 HB3 TYR 6 2HB TYR 6 15.527 2.387 12.439 36 H ALA 7 H ALA 7 14.585 1.453 10.535 37 HA ALA 7 HA ALA 7 14.587 -1.036 9.440 38 HB1 ALA 7 3HB ALA 7 12.520 -0.278 8.161 39 HB2 ALA 7 1HB ALA 7 12.501 -0.071 9.913 40 HB3 ALA 7 2HB ALA 7 12.808 1.314 8.863 41 H LYS 8 H LYS 8 15.061 2.013 7.690 42 HA LYS 8 HA LYS 8 15.046 1.383 5.102 43 HB2 LYS 8 1HB LYS 8 16.557 3.229 6.711 44 HB3 LYS 8 2HB LYS 8 17.558 2.637 5.391 45 HG2 LYS 8 1HG LYS 8 14.790 3.703 4.939 46 HG3 LYS 8 2HG LYS 8 16.212 4.748 4.975 47 HD2 LYS 8 1HD LYS 8 16.934 4.041 2.961 48 HD3 LYS 8 2HD LYS 8 16.464 2.367 3.269 49 HE2 LYS 8 1HE LYS 8 14.136 2.929 2.804 50 HE3 LYS 8 2HE LYS 8 14.586 4.611 2.531 51 HZ1 LYS 8 3HZ LYS 8 14.309 3.153 0.500 52 HZ2 LYS 8 1HZ LYS 8 15.756 2.402 0.949 53 HZ3 LYS 8 2HZ LYS 8 15.737 4.054 0.589 54 H ARG 9 H ARG 9 17.913 0.740 7.129 55 HA ARG 9 HA ARG 9 19.273 -0.751 5.150 56 HE ARG 9 HE ARG 9 23.384 -1.585 6.782 57 HB2 ARG 9 1HB ARG 9 19.580 -0.458 8.123 58 HB3 ARG 9 2HB ARG 9 20.553 -1.623 7.234 59 HG2 ARG 9 1HG ARG 9 20.466 1.172 6.237 60 HG3 ARG 9 2HG ARG 9 21.396 0.830 7.697 61 HD2 ARG 9 1HD ARG 9 21.757 -0.936 5.328 62 HD3 ARG 9 2HD ARG 9 22.486 0.669 5.301 63 HH11 ARG 9 2HH1 ARG 9 23.134 1.886 6.879 64 HH12 ARG 9 1HH1 ARG 9 24.490 2.084 7.939 65 HH21 ARG 9 2HH2 ARG 9 25.171 -1.337 8.178 66 HH22 ARG 9 1HH2 ARG 9 25.648 0.250 8.677 67 H ILE 10 H ILE 10 17.900 -1.962 8.213 68 HA ILE 10 HA ILE 10 18.033 -4.607 7.944 69 HB ILE 10 HB ILE 10 15.318 -3.546 8.612 70 HG12 ILE 10 1HG1 ILE 10 16.661 -1.882 9.645 71 HG13 ILE 10 2HG1 ILE 10 16.265 -3.032 10.918 72 HG21 ILE 10 1HG2 ILE 10 15.571 -5.887 8.871 73 HG22 ILE 10 2HG2 ILE 10 17.116 -5.697 9.699 74 HG23 ILE 10 3HG2 ILE 10 15.624 -5.196 10.493 75 HD11 ILE 10 3HD1 ILE 10 18.676 -3.893 9.736 76 HD12 ILE 10 1HD1 ILE 10 18.816 -2.159 10.026 77 HD13 ILE 10 2HD1 ILE 10 18.417 -3.247 11.356 78 H ALA 11 H ALA 11 15.044 -3.027 6.818 79 HA ALA 11 HA ALA 11 13.855 -4.959 5.413 80 HB1 ALA 11 3HB ALA 11 12.721 -2.963 5.319 81 HB2 ALA 11 1HB ALA 11 14.146 -2.051 4.821 82 HB3 ALA 11 2HB ALA 11 13.315 -3.090 3.663 83 H GLU 12 H GLU 12 16.541 -3.009 4.137 84 HA GLU 12 HA GLU 12 16.668 -4.236 1.612 85 HB2 GLU 12 1HB GLU 12 18.324 -2.417 3.193 86 HB3 GLU 12 2HB GLU 12 19.266 -3.471 2.148 87 HG2 GLU 12 1HG GLU 12 17.453 -2.701 0.374 88 HG3 GLU 12 2HG GLU 12 17.367 -1.309 1.452 89 H ALA 13 H ALA 13 18.892 -4.708 4.364 90 HA ALA 13 HA ALA 13 20.261 -6.896 3.375 91 HB1 ALA 13 3HB ALA 13 20.163 -7.380 6.089 92 HB2 ALA 13 1HB ALA 13 21.340 -6.366 5.252 93 HB3 ALA 13 2HB ALA 13 19.901 -5.640 5.969 94 H MET 14 H MET 14 17.014 -6.719 4.406 95 HA MET 14 HA MET 14 16.788 -9.555 4.991 96 HB2 MET 14 1HB MET 14 14.709 -7.363 4.871 97 HB3 MET 14 2HB MET 14 14.379 -9.027 5.335 98 HG2 MET 14 1HG MET 14 16.505 -8.215 6.951 99 HG3 MET 14 2HG MET 14 15.391 -6.851 6.911 100 HE1 MET 14 3HE MET 14 16.083 -10.419 7.613 101 HE2 MET 14 1HE MET 14 14.858 -10.949 8.767 102 HE3 MET 14 2HE MET 14 14.500 -10.949 7.040 103 H ALA 15 H ALA 15 17.444 -8.314 2.260 104 HA ALA 15 HA ALA 15 15.300 -9.632 0.728 105 HB1 ALA 15 3HB ALA 15 16.005 -7.089 0.440 106 HB2 ALA 15 1HB ALA 15 17.208 -7.811 -0.629 107 HB3 ALA 15 2HB ALA 15 15.490 -8.080 -0.925 108 H LYS 16 H LYS 16 18.480 -9.941 1.740 109 HA LYS 16 HA LYS 16 19.483 -11.310 -0.597 110 HB2 LYS 16 1HB LYS 16 20.683 -10.011 1.497 111 HB3 LYS 16 2HB LYS 16 20.918 -11.697 1.938 112 HG2 LYS 16 1HG LYS 16 21.757 -11.948 -0.507 113 HG3 LYS 16 2HG LYS 16 21.957 -10.196 -0.423 114 HD2 LYS 16 1HD LYS 16 23.594 -10.329 1.200 115 HD3 LYS 16 2HD LYS 16 23.049 -11.909 1.768 116 HE2 LYS 16 1HE LYS 16 23.876 -12.917 -0.320 117 HE3 LYS 16 2HE LYS 16 24.459 -11.336 -0.838 118 HZ1 LYS 16 3HZ LYS 16 25.371 -12.193 1.774 119 HZ2 LYS 16 1HZ LYS 16 26.226 -11.451 0.517 120 HZ3 LYS 16 2HZ LYS 16 25.945 -13.119 0.480 121 H GLY 17 H GLY 17 17.220 -12.583 -0.044 122 HA2 GLY 17 1HA GLY 17 17.750 -15.230 0.045 123 HA3 GLY 17 2HA GLY 17 17.652 -14.812 1.749 Start of MODEL 15 1 HA SER 1 HA SER 1 13.991 10.856 11.439 2 HG SER 1 HG SER 1 11.208 11.220 10.252 3 H1 SER 1 1H SER 1 13.022 10.488 8.922 4 HB2 SER 1 1HB SER 1 11.716 9.114 10.492 5 HB3 SER 1 2HB SER 1 12.051 9.376 12.204 6 H ALA 2 H ALA 2 13.980 9.106 13.234 7 HA ALA 2 HA ALA 2 16.224 7.475 12.880 8 HB1 ALA 2 3HB ALA 2 16.092 7.349 15.091 9 HB2 ALA 2 1HB ALA 2 14.565 8.229 15.012 10 HB3 ALA 2 2HB ALA 2 14.569 6.465 14.993 11 H ALA 3 H ALA 3 12.777 6.591 13.024 12 HA ALA 3 HA ALA 3 13.154 3.833 12.596 13 HB1 ALA 3 3HB ALA 3 11.066 5.124 13.415 14 HB2 ALA 3 1HB ALA 3 10.683 5.262 11.699 15 HB3 ALA 3 2HB ALA 3 10.848 3.670 12.441 16 H GLU 4 H GLU 4 13.407 6.493 10.480 17 HA GLU 4 HA GLU 4 12.873 4.933 8.084 18 HB2 GLU 4 1HB GLU 4 13.727 7.807 8.462 19 HB3 GLU 4 2HB GLU 4 13.423 7.062 6.899 20 HG2 GLU 4 1HG GLU 4 11.174 6.587 8.567 21 HG3 GLU 4 2HG GLU 4 11.585 8.299 8.653 22 H ALA 5 H ALA 5 15.532 5.891 10.042 23 HA ALA 5 HA ALA 5 17.491 5.346 7.950 24 HB1 ALA 5 3HB ALA 5 17.975 6.130 10.820 25 HB2 ALA 5 1HB ALA 5 19.146 6.139 9.500 26 HB3 ALA 5 2HB ALA 5 17.793 7.271 9.487 27 H TYR 6 H TYR 6 16.040 3.844 10.713 28 HA TYR 6 HA TYR 6 18.075 1.818 10.993 29 HD1 TYR 6 HD1 TYR 6 17.928 -0.256 13.047 30 HD2 TYR 6 HD2 TYR 6 13.873 0.776 12.272 31 HE1 TYR 6 HE1 TYR 6 17.245 -2.556 13.591 32 HE2 TYR 6 HE2 TYR 6 13.179 -1.520 12.815 33 HH TYR 6 HH TYR 6 14.247 -3.456 14.334 34 HB2 TYR 6 1HB TYR 6 17.081 2.154 13.037 35 HB3 TYR 6 2HB TYR 6 15.496 2.465 12.337 36 H ALA 7 H ALA 7 14.574 1.475 10.430 37 HA ALA 7 HA ALA 7 14.498 -1.072 9.490 38 HB1 ALA 7 3HB ALA 7 12.391 -0.261 9.631 39 HB2 ALA 7 1HB ALA 7 12.843 1.328 9.012 40 HB3 ALA 7 2HB ALA 7 12.618 -0.022 7.898 41 H LYS 8 H LYS 8 15.221 1.829 7.582 42 HA LYS 8 HA LYS 8 15.289 1.039 5.040 43 HB2 LYS 8 1HB LYS 8 16.182 3.205 5.941 44 HB3 LYS 8 2HB LYS 8 17.682 2.369 6.319 45 HG2 LYS 8 1HG LYS 8 18.385 2.411 4.196 46 HG3 LYS 8 2HG LYS 8 16.785 2.035 3.553 47 HD2 LYS 8 1HD LYS 8 17.072 4.711 4.748 48 HD3 LYS 8 2HD LYS 8 18.011 4.433 3.280 49 HE2 LYS 8 1HE LYS 8 16.004 5.218 2.441 50 HE3 LYS 8 2HE LYS 8 15.790 3.471 2.347 51 HZ1 LYS 8 3HZ LYS 8 14.406 5.413 3.978 52 HZ2 LYS 8 1HZ LYS 8 14.857 4.006 4.802 53 HZ3 LYS 8 2HZ LYS 8 13.889 3.903 3.419 54 H ARG 9 H ARG 9 18.022 0.374 7.237 55 HA ARG 9 HA ARG 9 19.383 -1.310 5.423 56 HE ARG 9 HE ARG 9 23.344 -0.763 8.095 57 HB2 ARG 9 1HB ARG 9 19.568 -0.849 8.384 58 HB3 ARG 9 2HB ARG 9 20.512 -2.119 7.618 59 HG2 ARG 9 1HG ARG 9 20.633 0.608 6.452 60 HG3 ARG 9 2HG ARG 9 21.474 0.307 7.974 61 HD2 ARG 9 1HD ARG 9 21.921 -1.779 5.992 62 HD3 ARG 9 2HD ARG 9 22.456 -0.190 5.448 63 HH11 ARG 9 2HH1 ARG 9 23.990 -1.385 4.731 64 HH12 ARG 9 1HH1 ARG 9 25.677 -1.692 4.977 65 HH21 ARG 9 2HH2 ARG 9 25.564 -1.166 8.432 66 HH22 ARG 9 1HH2 ARG 9 26.571 -1.569 7.083 67 H ILE 10 H ILE 10 17.807 -2.255 8.482 68 HA ILE 10 HA ILE 10 17.799 -4.913 8.379 69 HB ILE 10 HB ILE 10 15.119 -3.667 8.840 70 HG12 ILE 10 1HG1 ILE 10 16.510 -2.018 9.837 71 HG13 ILE 10 2HG1 ILE 10 15.978 -3.058 11.155 72 HG21 ILE 10 1HG2 ILE 10 15.228 -5.999 9.250 73 HG22 ILE 10 2HG2 ILE 10 16.737 -5.840 10.148 74 HG23 ILE 10 3HG2 ILE 10 15.236 -5.211 10.827 75 HD11 ILE 10 3HD1 ILE 10 18.072 -4.053 11.368 76 HD12 ILE 10 1HD1 ILE 10 18.599 -3.498 9.779 77 HD13 ILE 10 2HD1 ILE 10 18.423 -2.345 11.102 78 H ALA 11 H ALA 11 14.963 -3.249 7.005 79 HA ALA 11 HA ALA 11 13.737 -5.201 5.660 80 HB1 ALA 11 3HB ALA 11 13.435 -3.392 3.762 81 HB2 ALA 11 1HB ALA 11 12.694 -3.194 5.350 82 HB3 ALA 11 2HB ALA 11 14.192 -2.347 4.963 83 H GLU 12 H GLU 12 16.586 -3.477 4.410 84 HA GLU 12 HA GLU 12 16.766 -4.865 1.973 85 HB2 GLU 12 1HB GLU 12 18.441 -3.039 3.524 86 HB3 GLU 12 2HB GLU 12 19.373 -4.204 2.594 87 HG2 GLU 12 1HG GLU 12 17.692 -3.454 0.687 88 HG3 GLU 12 2HG GLU 12 17.631 -1.994 1.673 89 H ALA 13 H ALA 13 18.824 -5.279 4.860 90 HA ALA 13 HA ALA 13 20.138 -7.575 4.091 91 HB1 ALA 13 3HB ALA 13 20.009 -8.004 6.728 92 HB2 ALA 13 1HB ALA 13 21.053 -6.782 6.003 93 HB3 ALA 13 2HB ALA 13 19.496 -6.318 6.689 94 H MET 14 H MET 14 16.838 -7.206 4.917 95 HA MET 14 HA MET 14 16.484 -10.058 5.448 96 HB2 MET 14 1HB MET 14 14.607 -7.702 5.617 97 HB3 MET 14 2HB MET 14 14.078 -9.365 5.834 98 HG2 MET 14 1HG MET 14 15.819 -9.528 7.666 99 HG3 MET 14 2HG MET 14 15.958 -7.775 7.547 100 HE1 MET 14 3HE MET 14 14.823 -10.491 9.215 101 HE2 MET 14 1HE MET 14 14.619 -9.356 10.550 102 HE3 MET 14 2HE MET 14 13.224 -10.226 9.912 103 H ALA 15 H ALA 15 17.185 -8.852 2.782 104 HA ALA 15 HA ALA 15 14.979 -10.082 1.268 105 HB1 ALA 15 3HB ALA 15 15.847 -7.372 1.147 106 HB2 ALA 15 1HB ALA 15 16.227 -8.157 -0.386 107 HB3 ALA 15 2HB ALA 15 14.572 -8.168 0.225 108 H LYS 16 H LYS 16 18.343 -8.938 0.930 109 HA LYS 16 HA LYS 16 19.110 -10.421 -1.251 110 HB2 LYS 16 1HB LYS 16 20.547 -8.738 -0.220 111 HB3 LYS 16 2HB LYS 16 20.754 -9.756 1.199 112 HG2 LYS 16 1HG LYS 16 22.587 -10.542 0.232 113 HG3 LYS 16 2HG LYS 16 21.529 -11.376 -0.909 114 HD2 LYS 16 1HD LYS 16 22.666 -10.211 -2.461 115 HD3 LYS 16 2HD LYS 16 21.605 -8.883 -1.986 116 HE2 LYS 16 1HE LYS 16 23.699 -7.911 -1.857 117 HE3 LYS 16 2HE LYS 16 23.416 -8.413 -0.191 118 HZ1 LYS 16 3HZ LYS 16 25.660 -8.959 -1.083 119 HZ2 LYS 16 1HZ LYS 16 24.926 -10.044 -2.154 120 HZ3 LYS 16 2HZ LYS 16 24.808 -10.293 -0.485 121 H GLY 17 H GLY 17 19.632 -11.400 2.148 122 HA2 GLY 17 1HA GLY 17 19.228 -14.191 1.311 123 HA3 GLY 17 2HA GLY 17 20.691 -13.762 2.186 Start of MODEL 16 1 HA SER 1 HA SER 1 14.113 10.512 11.317 2 HG SER 1 HG SER 1 12.189 11.075 11.428 3 H1 SER 1 1H SER 1 14.492 8.897 8.888 4 HB2 SER 1 1HB SER 1 12.237 9.389 9.590 5 HB3 SER 1 2HB SER 1 12.236 8.313 10.987 6 H ALA 2 H ALA 2 13.359 8.976 13.218 7 HA ALA 2 HA ALA 2 15.631 7.455 13.947 8 HB1 ALA 2 3HB ALA 2 14.780 7.648 15.993 9 HB2 ALA 2 1HB ALA 2 13.458 8.567 15.271 10 HB3 ALA 2 2HB ALA 2 13.290 6.829 15.524 11 H ALA 3 H ALA 3 12.319 6.508 13.060 12 HA ALA 3 HA ALA 3 13.096 3.699 13.031 13 HB1 ALA 3 3HB ALA 3 11.008 3.522 13.785 14 HB2 ALA 3 1HB ALA 3 10.608 5.168 13.291 15 HB3 ALA 3 2HB ALA 3 10.486 3.843 12.132 16 H GLU 4 H GLU 4 12.863 6.319 10.880 17 HA GLU 4 HA GLU 4 12.374 4.699 8.524 18 HB2 GLU 4 1HB GLU 4 13.060 7.630 8.814 19 HB3 GLU 4 2HB GLU 4 12.656 6.836 7.298 20 HG2 GLU 4 1HG GLU 4 10.518 6.154 8.799 21 HG3 GLU 4 2HG GLU 4 10.919 7.725 9.491 22 H ALA 5 H ALA 5 15.050 5.850 10.345 23 HA ALA 5 HA ALA 5 16.940 5.484 8.157 24 HB1 ALA 5 3HB ALA 5 17.271 6.412 11.001 25 HB2 ALA 5 1HB ALA 5 18.625 6.159 9.899 26 HB3 ALA 5 2HB ALA 5 17.396 7.368 9.525 27 H TYR 6 H TYR 6 15.782 3.838 10.995 28 HA TYR 6 HA TYR 6 17.944 1.942 11.092 29 HD1 TYR 6 HD2 TYR 6 18.045 -0.223 12.974 30 HD2 TYR 6 HD1 TYR 6 13.884 0.609 12.661 31 HE1 TYR 6 HE2 TYR 6 17.542 -2.576 13.480 32 HE2 TYR 6 HE1 TYR 6 13.370 -1.742 13.167 33 HH TYR 6 HH TYR 6 15.956 -4.084 13.839 34 HB2 TYR 6 1HB TYR 6 17.037 2.150 13.191 35 HB3 TYR 6 2HB TYR 6 15.401 2.374 12.582 36 H ALA 7 H ALA 7 14.456 1.327 10.734 37 HA ALA 7 HA ALA 7 14.518 -1.182 9.709 38 HB1 ALA 7 3HB ALA 7 12.669 1.102 9.112 39 HB2 ALA 7 1HB ALA 7 12.427 -0.492 8.395 40 HB3 ALA 7 2HB ALA 7 12.403 -0.300 10.149 41 H LYS 8 H LYS 8 14.907 1.817 7.857 42 HA LYS 8 HA LYS 8 14.883 1.106 5.291 43 HB2 LYS 8 1HB LYS 8 15.618 3.316 6.074 44 HB3 LYS 8 2HB LYS 8 17.157 2.629 6.577 45 HG2 LYS 8 1HG LYS 8 17.197 1.877 4.023 46 HG3 LYS 8 2HG LYS 8 16.170 3.304 3.872 47 HD2 LYS 8 1HD LYS 8 17.893 4.695 4.187 48 HD3 LYS 8 2HD LYS 8 18.490 3.769 5.566 49 HE2 LYS 8 1HE LYS 8 20.159 3.773 3.829 50 HE3 LYS 8 2HE LYS 8 19.494 2.148 3.989 51 HZ1 LYS 8 3HZ LYS 8 19.785 3.033 1.657 52 HZ2 LYS 8 1HZ LYS 8 18.486 4.069 1.976 53 HZ3 LYS 8 2HZ LYS 8 18.263 2.393 2.027 54 H ARG 9 H ARG 9 17.779 0.586 7.311 55 HA ARG 9 HA ARG 9 19.154 -0.937 5.367 56 HE ARG 9 HE ARG 9 22.655 1.741 5.810 57 HB2 ARG 9 1HB ARG 9 19.479 -0.544 8.326 58 HB3 ARG 9 2HB ARG 9 20.467 -1.718 7.468 59 HG2 ARG 9 1HG ARG 9 20.319 1.039 6.379 60 HG3 ARG 9 2HG ARG 9 21.264 0.766 7.844 61 HD2 ARG 9 1HD ARG 9 22.521 -0.998 6.677 62 HD3 ARG 9 2HD ARG 9 21.599 -0.667 5.211 63 HH11 ARG 9 2HH1 ARG 9 24.032 -1.441 5.493 64 HH12 ARG 9 1HH1 ARG 9 25.574 -0.862 4.956 65 HH21 ARG 9 2HH2 ARG 9 24.681 2.516 5.104 66 HH22 ARG 9 1HH2 ARG 9 25.942 1.389 4.735 67 H ILE 10 H ILE 10 17.836 -2.083 8.480 68 HA ILE 10 HA ILE 10 18.020 -4.730 8.292 69 HB ILE 10 HB ILE 10 15.288 -3.704 8.946 70 HG12 ILE 10 1HG1 ILE 10 16.610 -1.983 9.915 71 HG13 ILE 10 2HG1 ILE 10 16.236 -3.096 11.226 72 HG21 ILE 10 1HG2 ILE 10 15.642 -5.288 10.876 73 HG22 ILE 10 2HG2 ILE 10 15.587 -6.029 9.278 74 HG23 ILE 10 3HG2 ILE 10 17.136 -5.787 10.084 75 HD11 ILE 10 3HD1 ILE 10 18.796 -3.298 9.688 76 HD12 ILE 10 1HD1 ILE 10 18.615 -2.198 11.055 77 HD13 ILE 10 2HD1 ILE 10 18.408 -3.935 11.286 78 H ALA 11 H ALA 11 14.991 -3.250 7.138 79 HA ALA 11 HA ALA 11 13.834 -5.249 5.804 80 HB1 ALA 11 3HB ALA 11 12.644 -3.301 5.631 81 HB2 ALA 11 1HB ALA 11 14.051 -2.354 5.147 82 HB3 ALA 11 2HB ALA 11 13.272 -3.432 3.988 83 H GLU 12 H GLU 12 16.472 -3.288 4.447 84 HA GLU 12 HA GLU 12 16.607 -4.598 1.963 85 HB2 GLU 12 1HB GLU 12 18.234 -2.690 3.468 86 HB3 GLU 12 2HB GLU 12 19.191 -3.759 2.452 87 HG2 GLU 12 1HG GLU 12 17.349 -3.089 0.668 88 HG3 GLU 12 2HG GLU 12 17.240 -1.664 1.699 89 H ALA 13 H ALA 13 18.860 -4.926 4.713 90 HA ALA 13 HA ALA 13 20.263 -7.123 3.784 91 HB1 ALA 13 3HB ALA 13 20.270 -7.525 6.489 92 HB2 ALA 13 1HB ALA 13 21.346 -6.434 5.615 93 HB3 ALA 13 2HB ALA 13 19.876 -5.811 6.365 94 H MET 14 H MET 14 17.036 -6.965 4.910 95 HA MET 14 HA MET 14 16.914 -9.842 5.421 96 HB2 MET 14 1HB MET 14 15.088 -7.536 5.989 97 HB3 MET 14 2HB MET 14 14.440 -9.170 5.946 98 HG2 MET 14 1HG MET 14 16.643 -9.453 7.543 99 HG3 MET 14 2HG MET 14 16.060 -7.846 7.971 100 HE1 MET 14 3HE MET 14 12.767 -7.963 8.991 101 HE2 MET 14 1HE MET 14 13.362 -7.859 7.334 102 HE3 MET 14 2HE MET 14 12.281 -9.172 7.801 103 H ALA 15 H ALA 15 17.230 -8.515 2.729 104 HA ALA 15 HA ALA 15 14.896 -9.770 1.437 105 HB1 ALA 15 3HB ALA 15 15.547 -7.105 1.310 106 HB2 ALA 15 1HB ALA 15 16.249 -7.754 -0.173 107 HB3 ALA 15 2HB ALA 15 14.531 -7.975 0.160 108 H LYS 16 H LYS 16 18.334 -9.417 1.580 109 HA LYS 16 HA LYS 16 18.985 -10.554 -0.931 110 HB2 LYS 16 1HB LYS 16 20.389 -9.443 1.216 111 HB3 LYS 16 2HB LYS 16 20.951 -11.108 1.128 112 HG2 LYS 16 1HG LYS 16 21.572 -10.808 -1.193 113 HG3 LYS 16 2HG LYS 16 20.936 -9.162 -1.170 114 HD2 LYS 16 1HD LYS 16 23.249 -8.905 -0.885 115 HD3 LYS 16 2HD LYS 16 22.583 -8.744 0.741 116 HE2 LYS 16 1HE LYS 16 24.285 -10.199 1.174 117 HE3 LYS 16 2HE LYS 16 23.012 -11.353 0.783 118 HZ1 LYS 16 3HZ LYS 16 23.900 -11.229 -1.571 119 HZ2 LYS 16 1HZ LYS 16 24.865 -12.037 -0.440 120 HZ3 LYS 16 2HZ LYS 16 25.261 -10.464 -0.920 121 H GLY 17 H GLY 17 19.454 -12.644 -1.528 122 HA2 GLY 17 1HA GLY 17 19.839 -14.849 0.091 123 HA3 GLY 17 2HA GLY 17 18.098 -14.713 -0.111 Start of MODEL 17 1 HA SER 1 HA SER 1 14.193 9.694 11.691 2 HG SER 1 HG SER 1 11.788 10.370 11.407 3 H1 SER 1 1H SER 1 14.623 9.012 9.148 4 HB2 SER 1 1HB SER 1 12.511 9.192 9.703 5 HB3 SER 1 2HB SER 1 12.245 7.703 10.609 6 H ALA 2 H ALA 2 12.792 8.210 13.305 7 HA ALA 2 HA ALA 2 14.555 6.627 14.699 8 HB1 ALA 2 3HB ALA 2 11.843 7.360 14.936 9 HB2 ALA 2 1HB ALA 2 11.923 5.609 15.131 10 HB3 ALA 2 2HB ALA 2 12.893 6.657 16.167 11 H ALA 3 H ALA 3 12.454 5.738 12.045 12 HA ALA 3 HA ALA 3 13.579 3.014 12.137 13 HB1 ALA 3 3HB ALA 3 11.021 3.352 10.729 14 HB2 ALA 3 1HB ALA 3 11.569 2.064 11.802 15 HB3 ALA 3 2HB ALA 3 10.956 3.575 12.477 16 H GLU 4 H GLU 4 13.102 5.879 10.339 17 HA GLU 4 HA GLU 4 13.435 4.706 7.735 18 HB2 GLU 4 1HB GLU 4 13.479 7.552 8.733 19 HB3 GLU 4 2HB GLU 4 13.760 7.132 7.049 20 HG2 GLU 4 1HG GLU 4 11.471 5.825 7.414 21 HG3 GLU 4 2HG GLU 4 11.262 7.085 8.628 22 H ALA 5 H ALA 5 15.504 5.913 10.234 23 HA ALA 5 HA ALA 5 17.821 5.959 8.446 24 HB1 ALA 5 3HB ALA 5 18.367 7.696 9.722 25 HB2 ALA 5 1HB ALA 5 17.105 7.312 10.893 26 HB3 ALA 5 2HB ALA 5 18.691 6.549 11.023 27 H TYR 6 H TYR 6 16.192 3.745 10.271 28 HA TYR 6 HA TYR 6 18.642 2.200 10.815 29 HD1 TYR 6 HD1 TYR 6 15.090 0.173 11.890 30 HD2 TYR 6 HD2 TYR 6 18.989 0.612 13.535 31 HE1 TYR 6 HE1 TYR 6 15.059 -2.188 12.578 32 HE2 TYR 6 HE2 TYR 6 18.969 -1.748 14.227 33 HH TYR 6 HH TYR 6 17.099 -3.992 13.058 34 HB2 TYR 6 1HB TYR 6 17.693 2.549 12.924 35 HB3 TYR 6 2HB TYR 6 16.049 2.390 12.318 36 H ALA 7 H ALA 7 15.160 1.527 10.425 37 HA ALA 7 HA ALA 7 15.301 -1.040 9.503 38 HB1 ALA 7 3HB ALA 7 13.211 0.176 10.009 39 HB2 ALA 7 1HB ALA 7 13.374 1.043 8.482 40 HB3 ALA 7 2HB ALA 7 13.139 -0.705 8.483 41 H LYS 8 H LYS 8 16.339 1.800 7.884 42 HA LYS 8 HA LYS 8 16.087 1.303 5.220 43 HB2 LYS 8 1HB LYS 8 17.349 3.196 6.488 44 HB3 LYS 8 2HB LYS 8 18.756 2.159 6.294 45 HG2 LYS 8 1HG LYS 8 19.056 2.975 4.263 46 HG3 LYS 8 2HG LYS 8 17.491 2.319 3.777 47 HD2 LYS 8 1HD LYS 8 16.471 4.415 4.794 48 HD3 LYS 8 2HD LYS 8 18.114 5.058 4.855 49 HE2 LYS 8 1HE LYS 8 17.142 5.848 2.840 50 HE3 LYS 8 2HE LYS 8 18.279 4.577 2.393 51 HZ1 LYS 8 3HZ LYS 8 16.570 3.107 1.916 52 HZ2 LYS 8 1HZ LYS 8 15.973 4.574 1.322 53 HZ3 LYS 8 2HZ LYS 8 15.420 3.974 2.803 54 H ARG 9 H ARG 9 19.090 0.406 6.918 55 HA ARG 9 HA ARG 9 20.025 -1.336 4.961 56 HE ARG 9 HE ARG 9 19.333 1.500 8.320 57 HB2 ARG 9 1HB ARG 9 21.229 -2.389 7.075 58 HB3 ARG 9 2HB ARG 9 21.684 -0.811 6.447 59 HG2 ARG 9 1HG ARG 9 19.535 -0.655 8.394 60 HG3 ARG 9 2HG ARG 9 20.997 -1.397 9.045 61 HD2 ARG 9 1HD ARG 9 21.641 0.726 9.400 62 HD3 ARG 9 2HD ARG 9 22.042 0.701 7.683 63 HH11 ARG 9 2HH1 ARG 9 22.601 2.509 7.675 64 HH12 ARG 9 1HH1 ARG 9 22.152 4.119 7.217 65 HH21 ARG 9 2HH2 ARG 9 18.729 3.616 7.720 66 HH22 ARG 9 1HH2 ARG 9 19.949 4.747 7.244 67 H ILE 10 H ILE 10 18.567 -2.267 8.085 68 HA ILE 10 HA ILE 10 18.367 -4.922 7.914 69 HB ILE 10 HB ILE 10 15.819 -3.493 8.557 70 HG12 ILE 10 1HG1 ILE 10 17.382 -1.988 9.524 71 HG13 ILE 10 2HG1 ILE 10 16.846 -3.029 10.838 72 HG21 ILE 10 1HG2 ILE 10 15.931 -5.104 10.496 73 HG22 ILE 10 2HG2 ILE 10 15.757 -5.832 8.900 74 HG23 ILE 10 3HG2 ILE 10 17.328 -5.829 9.701 75 HD11 ILE 10 3HD1 ILE 10 18.867 -4.182 10.903 76 HD12 ILE 10 1HD1 ILE 10 19.347 -3.617 9.303 77 HD13 ILE 10 2HD1 ILE 10 19.332 -2.498 10.666 78 H ALA 11 H ALA 11 15.598 -3.008 6.745 79 HA ALA 11 HA ALA 11 14.155 -4.817 5.417 80 HB1 ALA 11 3HB ALA 11 13.232 -2.755 5.183 81 HB2 ALA 11 1HB ALA 11 14.776 -1.982 4.820 82 HB3 ALA 11 2HB ALA 11 13.940 -2.912 3.575 83 H GLU 12 H GLU 12 17.063 -3.283 4.063 84 HA GLU 12 HA GLU 12 17.006 -4.599 1.581 85 HB2 GLU 12 1HB GLU 12 18.902 -2.967 3.095 86 HB3 GLU 12 2HB GLU 12 19.687 -4.172 2.083 87 HG2 GLU 12 1HG GLU 12 17.980 -3.225 0.290 88 HG3 GLU 12 2HG GLU 12 18.089 -1.799 1.321 89 H ALA 13 H ALA 13 19.171 -5.274 4.338 90 HA ALA 13 HA ALA 13 20.261 -7.634 3.442 91 HB1 ALA 13 3HB ALA 13 19.894 -7.968 6.212 92 HB2 ALA 13 1HB ALA 13 21.326 -7.376 5.369 93 HB3 ALA 13 2HB ALA 13 20.101 -6.239 5.932 94 H MET 14 H MET 14 17.083 -7.071 4.755 95 HA MET 14 HA MET 14 16.537 -9.934 4.937 96 HB2 MET 14 1HB MET 14 14.845 -7.530 5.643 97 HB3 MET 14 2HB MET 14 14.341 -9.202 5.854 98 HG2 MET 14 1HG MET 14 16.838 -8.963 7.115 99 HG3 MET 14 2HG MET 14 15.901 -7.546 7.583 100 HE1 MET 14 3HE MET 14 14.730 -8.009 10.192 101 HE2 MET 14 1HE MET 14 15.426 -9.540 10.724 102 HE3 MET 14 2HE MET 14 16.416 -8.384 9.832 103 H ALA 15 H ALA 15 16.975 -8.473 2.369 104 HA ALA 15 HA ALA 15 14.432 -9.222 1.085 105 HB1 ALA 15 3HB ALA 15 14.367 -6.919 0.870 106 HB2 ALA 15 1HB ALA 15 16.114 -6.786 0.664 107 HB3 ALA 15 2HB ALA 15 15.116 -7.419 -0.646 108 H LYS 16 H LYS 16 17.924 -9.106 0.937 109 HA LYS 16 HA LYS 16 18.506 -9.907 -1.604 110 HB2 LYS 16 1HB LYS 16 20.539 -10.808 -0.781 111 HB3 LYS 16 2HB LYS 16 20.122 -9.486 0.301 112 HG2 LYS 16 1HG LYS 16 19.927 -10.837 2.069 113 HG3 LYS 16 2HG LYS 16 19.078 -12.081 1.148 114 HD2 LYS 16 1HD LYS 16 21.140 -13.028 1.859 115 HD3 LYS 16 2HD LYS 16 21.297 -12.693 0.133 116 HE2 LYS 16 1HE LYS 16 22.720 -10.894 0.483 117 HE3 LYS 16 2HE LYS 16 22.187 -10.670 2.149 118 HZ1 LYS 16 3HZ LYS 16 23.283 -13.214 1.988 119 HZ2 LYS 16 1HZ LYS 16 23.923 -11.864 2.782 120 HZ3 LYS 16 2HZ LYS 16 24.357 -12.187 1.180 121 H GLY 17 H GLY 17 19.191 -12.113 -2.374 122 HA2 GLY 17 1HA GLY 17 18.573 -14.232 -3.004 123 HA3 GLY 17 2HA GLY 17 18.267 -14.502 -1.295 Start of MODEL 18 1 HA SER 1 HA SER 1 15.826 10.281 10.646 2 HG SER 1 HG SER 1 13.743 12.728 10.949 3 H1 SER 1 1H SER 1 13.523 9.087 9.477 4 HB2 SER 1 1HB SER 1 13.031 10.757 10.638 5 HB3 SER 1 2HB SER 1 13.522 10.600 12.325 6 H ALA 2 H ALA 2 13.246 8.618 12.435 7 HA ALA 2 HA ALA 2 15.316 7.474 14.185 8 HB1 ALA 2 3HB ALA 2 13.589 9.007 15.180 9 HB2 ALA 2 1HB ALA 2 12.389 7.765 14.822 10 HB3 ALA 2 2HB ALA 2 13.713 7.418 15.935 11 H ALA 3 H ALA 3 12.844 6.701 11.931 12 HA ALA 3 HA ALA 3 13.242 3.840 12.500 13 HB1 ALA 3 3HB ALA 3 10.747 3.869 11.422 14 HB2 ALA 3 1HB ALA 3 11.095 3.813 13.150 15 HB3 ALA 3 2HB ALA 3 10.735 5.355 12.372 16 H GLU 4 H GLU 4 13.542 6.329 10.319 17 HA GLU 4 HA GLU 4 13.093 4.700 7.944 18 HB2 GLU 4 1HB GLU 4 14.101 7.543 8.090 19 HB3 GLU 4 2HB GLU 4 13.460 6.713 6.679 20 HG2 GLU 4 1HG GLU 4 11.532 6.646 8.792 21 HG3 GLU 4 2HG GLU 4 12.075 8.302 8.527 22 H ALA 5 H ALA 5 15.648 5.693 10.009 23 HA ALA 5 HA ALA 5 17.709 5.096 8.030 24 HB1 ALA 5 3HB ALA 5 19.155 5.637 10.184 25 HB2 ALA 5 1HB ALA 5 18.459 6.911 9.181 26 HB3 ALA 5 2HB ALA 5 17.661 6.432 10.679 27 H TYR 6 H TYR 6 16.049 3.625 10.656 28 HA TYR 6 HA TYR 6 18.091 1.617 11.118 29 HD1 TYR 6 HD2 TYR 6 17.868 -0.456 13.027 30 HD2 TYR 6 HD1 TYR 6 13.815 0.718 12.483 31 HE1 TYR 6 HE2 TYR 6 17.137 -2.731 13.610 32 HE2 TYR 6 HE1 TYR 6 13.072 -1.553 13.065 33 HH TYR 6 HH TYR 6 13.697 -3.555 13.832 34 HB2 TYR 6 1HB TYR 6 17.034 2.020 13.118 35 HB3 TYR 6 2HB TYR 6 15.478 2.331 12.358 36 H ALA 7 H ALA 7 14.606 1.294 10.450 37 HA ALA 7 HA ALA 7 14.536 -1.279 9.578 38 HB1 ALA 7 3HB ALA 7 12.619 -0.536 8.082 39 HB2 ALA 7 1HB ALA 7 12.487 -0.149 9.798 40 HB3 ALA 7 2HB ALA 7 12.957 1.101 8.644 41 H LYS 8 H LYS 8 15.343 1.565 7.618 42 HA LYS 8 HA LYS 8 15.480 0.707 5.100 43 HB2 LYS 8 1HB LYS 8 16.752 2.722 6.538 44 HB3 LYS 8 2HB LYS 8 18.072 1.842 5.780 45 HG2 LYS 8 1HG LYS 8 17.300 2.301 3.627 46 HG3 LYS 8 2HG LYS 8 15.690 2.740 4.200 47 HD2 LYS 8 1HD LYS 8 17.468 4.474 5.502 48 HD3 LYS 8 2HD LYS 8 18.010 4.399 3.824 49 HE2 LYS 8 1HE LYS 8 15.330 4.621 3.491 50 HE3 LYS 8 2HE LYS 8 15.555 5.540 4.979 51 HZ1 LYS 8 3HZ LYS 8 15.787 6.673 2.651 52 HZ2 LYS 8 1HZ LYS 8 17.361 6.057 2.729 53 HZ3 LYS 8 2HZ LYS 8 16.805 7.112 3.929 54 H ARG 9 H ARG 9 18.135 0.074 7.400 55 HA ARG 9 HA ARG 9 19.536 -1.669 5.671 56 HE ARG 9 HE ARG 9 24.070 0.071 6.566 57 HB2 ARG 9 1HB ARG 9 19.638 -1.130 8.624 58 HB3 ARG 9 2HB ARG 9 20.594 -2.426 7.918 59 HG2 ARG 9 1HG ARG 9 20.770 0.268 6.684 60 HG3 ARG 9 2HG ARG 9 21.563 0.003 8.239 61 HD2 ARG 9 1HD ARG 9 22.898 -1.755 7.344 62 HD3 ARG 9 2HD ARG 9 21.968 -1.779 5.847 63 HH11 ARG 9 2HH1 ARG 9 21.374 -0.601 4.469 64 HH12 ARG 9 1HH1 ARG 9 21.907 0.477 3.222 65 HH21 ARG 9 2HH2 ARG 9 24.783 1.494 4.932 66 HH22 ARG 9 1HH2 ARG 9 23.847 1.667 3.486 67 H ILE 10 H ILE 10 17.857 -2.513 8.705 68 HA ILE 10 HA ILE 10 17.829 -5.174 8.673 69 HB ILE 10 HB ILE 10 15.151 -3.892 9.028 70 HG12 ILE 10 1HG1 ILE 10 16.525 -2.229 10.022 71 HG13 ILE 10 2HG1 ILE 10 15.957 -3.234 11.352 72 HG21 ILE 10 1HG2 ILE 10 15.223 -6.212 9.503 73 HG22 ILE 10 2HG2 ILE 10 16.711 -6.045 10.434 74 HG23 ILE 10 3HG2 ILE 10 15.201 -5.383 11.060 75 HD11 ILE 10 3HD1 ILE 10 18.626 -2.618 10.568 76 HD12 ILE 10 1HD1 ILE 10 18.055 -3.505 11.981 77 HD13 ILE 10 2HD1 ILE 10 18.374 -4.361 10.472 78 H ALA 11 H ALA 11 15.048 -3.522 7.180 79 HA ALA 11 HA ALA 11 13.838 -5.495 5.854 80 HB1 ALA 11 3HB ALA 11 14.353 -2.670 5.077 81 HB2 ALA 11 1HB ALA 11 13.594 -3.745 3.903 82 HB3 ALA 11 2HB ALA 11 12.835 -3.475 5.473 83 H GLU 12 H GLU 12 16.738 -3.836 4.636 84 HA GLU 12 HA GLU 12 16.970 -5.290 2.243 85 HB2 GLU 12 1HB GLU 12 18.623 -3.443 3.792 86 HB3 GLU 12 2HB GLU 12 19.567 -4.644 2.921 87 HG2 GLU 12 1HG GLU 12 17.951 -3.927 0.946 88 HG3 GLU 12 2HG GLU 12 17.879 -2.440 1.891 89 H ALA 13 H ALA 13 18.942 -5.653 5.196 90 HA ALA 13 HA ALA 13 20.346 -7.893 4.620 91 HB1 ALA 13 3HB ALA 13 20.874 -7.928 6.799 92 HB2 ALA 13 1HB ALA 13 19.907 -6.456 6.887 93 HB3 ALA 13 2HB ALA 13 19.188 -8.011 7.309 94 H MET 14 H MET 14 16.936 -7.733 5.432 95 HA MET 14 HA MET 14 16.690 -10.629 5.477 96 HB2 MET 14 1HB MET 14 14.542 -8.515 5.710 97 HB3 MET 14 2HB MET 14 14.353 -10.231 6.043 98 HG2 MET 14 1HG MET 14 16.275 -9.805 7.761 99 HG3 MET 14 2HG MET 14 15.737 -8.132 7.634 100 HE1 MET 14 3HE MET 14 13.226 -7.798 7.271 101 HE2 MET 14 1HE MET 14 12.037 -9.065 7.571 102 HE3 MET 14 2HE MET 14 12.382 -7.867 8.819 103 H ALA 15 H ALA 15 17.553 -9.390 3.020 104 HA ALA 15 HA ALA 15 15.364 -10.299 1.281 105 HB1 ALA 15 3HB ALA 15 17.020 -7.810 0.903 106 HB2 ALA 15 1HB ALA 15 15.977 -8.507 -0.337 107 HB3 ALA 15 2HB ALA 15 15.280 -7.908 1.169 108 H LYS 16 H LYS 16 18.823 -9.562 1.544 109 HA LYS 16 HA LYS 16 19.702 -10.736 -0.817 110 HB2 LYS 16 1HB LYS 16 20.879 -9.711 1.568 111 HB3 LYS 16 2HB LYS 16 21.622 -11.267 1.223 112 HG2 LYS 16 1HG LYS 16 22.974 -10.142 -0.137 113 HG3 LYS 16 2HG LYS 16 21.597 -10.048 -1.237 114 HD2 LYS 16 1HD LYS 16 21.242 -7.855 -0.811 115 HD3 LYS 16 2HD LYS 16 21.684 -8.007 0.891 116 HE2 LYS 16 1HE LYS 16 23.334 -6.641 -0.136 117 HE3 LYS 16 2HE LYS 16 24.073 -8.216 0.146 118 HZ1 LYS 16 3HZ LYS 16 24.653 -7.494 -2.032 119 HZ2 LYS 16 1HZ LYS 16 23.042 -7.162 -2.429 120 HZ3 LYS 16 2HZ LYS 16 23.545 -8.761 -2.201 121 H GLY 17 H GLY 17 19.957 -12.775 -1.511 122 HA2 GLY 17 1HA GLY 17 20.580 -15.077 -1.068 123 HA3 GLY 17 2HA GLY 17 19.746 -14.948 0.473 Start of MODEL 19 1 HA SER 1 HA SER 1 14.479 10.493 11.920 2 HG SER 1 HG SER 1 12.403 11.327 11.583 3 H1 SER 1 1H SER 1 13.629 9.867 9.285 4 HB2 SER 1 1HB SER 1 12.205 9.035 10.688 5 HB3 SER 1 2HB SER 1 12.583 8.635 12.364 6 H ALA 2 H ALA 2 14.403 8.607 13.616 7 HA ALA 2 HA ALA 2 16.676 6.955 13.056 8 HB1 ALA 2 3HB ALA 2 14.993 7.543 15.421 9 HB2 ALA 2 1HB ALA 2 15.882 6.019 15.419 10 HB3 ALA 2 2HB ALA 2 16.748 7.547 15.247 11 H ALA 3 H ALA 3 13.299 6.591 12.723 12 HA ALA 3 HA ALA 3 13.437 3.670 12.774 13 HB1 ALA 3 3HB ALA 3 11.231 3.661 13.214 14 HB2 ALA 3 1HB ALA 3 11.509 5.342 13.670 15 HB3 ALA 3 2HB ALA 3 10.889 4.954 12.065 16 H GLU 4 H GLU 4 13.634 6.246 10.580 17 HA GLU 4 HA GLU 4 12.710 4.647 8.315 18 HB2 GLU 4 1HB GLU 4 12.492 6.598 7.128 19 HB3 GLU 4 2HB GLU 4 12.259 7.209 8.760 20 HG2 GLU 4 1HG GLU 4 14.530 7.986 8.852 21 HG3 GLU 4 2HG GLU 4 14.883 7.249 7.290 22 H ALA 5 H ALA 5 15.595 5.599 9.902 23 HA ALA 5 HA ALA 5 17.272 5.029 7.583 24 HB1 ALA 5 3HB ALA 5 17.536 6.709 9.819 25 HB2 ALA 5 1HB ALA 5 18.775 5.464 9.982 26 HB3 ALA 5 2HB ALA 5 18.699 6.447 8.519 27 H TYR 6 H TYR 6 16.261 3.608 10.600 28 HA TYR 6 HA TYR 6 18.271 1.548 10.587 29 HD1 TYR 6 HD2 TYR 6 18.406 -0.510 12.620 30 HD2 TYR 6 HD1 TYR 6 14.300 0.606 12.563 31 HE1 TYR 6 HE2 TYR 6 17.783 -2.789 13.301 32 HE2 TYR 6 HE1 TYR 6 13.666 -1.671 13.244 33 HH TYR 6 HH TYR 6 16.081 -4.063 14.130 34 HB2 TYR 6 1HB TYR 6 17.602 1.929 12.751 35 HB3 TYR 6 2HB TYR 6 15.933 2.253 12.293 36 H ALA 7 H ALA 7 14.722 1.235 10.576 37 HA ALA 7 HA ALA 7 14.444 -1.314 9.727 38 HB1 ALA 7 3HB ALA 7 12.466 -0.068 8.271 39 HB2 ALA 7 1HB ALA 7 12.355 -0.569 9.959 40 HB3 ALA 7 2HB ALA 7 12.812 1.087 9.558 41 H LYS 8 H LYS 8 15.053 1.483 7.638 42 HA LYS 8 HA LYS 8 14.773 0.512 5.138 43 HB2 LYS 8 1HB LYS 8 15.794 2.756 5.985 44 HB3 LYS 8 2HB LYS 8 17.334 1.922 5.816 45 HG2 LYS 8 1HG LYS 8 16.868 1.522 3.457 46 HG3 LYS 8 2HG LYS 8 15.313 2.341 3.622 47 HD2 LYS 8 1HD LYS 8 17.426 4.001 4.644 48 HD3 LYS 8 2HD LYS 8 17.799 3.486 2.997 49 HE2 LYS 8 1HE LYS 8 15.087 4.548 3.702 50 HE3 LYS 8 2HE LYS 8 16.423 5.646 3.357 51 HZ1 LYS 8 3HZ LYS 8 16.115 5.327 1.203 52 HZ2 LYS 8 1HZ LYS 8 14.775 4.348 1.535 53 HZ3 LYS 8 2HZ LYS 8 16.309 3.654 1.369 54 H ARG 9 H ARG 9 17.814 0.159 6.977 55 HA ARG 9 HA ARG 9 19.085 -1.549 5.174 56 HE ARG 9 HE ARG 9 21.326 1.842 6.258 57 HB2 ARG 9 1HB ARG 9 19.620 -1.945 8.068 58 HB3 ARG 9 2HB ARG 9 20.745 -1.721 6.735 59 HG2 ARG 9 1HG ARG 9 19.619 0.714 6.788 60 HG3 ARG 9 2HG ARG 9 19.460 0.266 8.488 61 HD2 ARG 9 1HD ARG 9 21.622 0.638 8.845 62 HD3 ARG 9 2HD ARG 9 22.070 -0.436 7.520 63 HH11 ARG 9 2HH1 ARG 9 23.556 1.141 8.838 64 HH12 ARG 9 1HH1 ARG 9 24.626 2.445 8.443 65 HH21 ARG 9 2HH2 ARG 9 22.727 3.562 5.728 66 HH22 ARG 9 1HH2 ARG 9 24.153 3.822 6.674 67 H ILE 10 H ILE 10 17.559 -2.479 8.266 68 HA ILE 10 HA ILE 10 17.681 -5.135 8.270 69 HB ILE 10 HB ILE 10 14.933 -4.010 8.621 70 HG12 ILE 10 1HG1 ILE 10 16.215 -2.251 9.576 71 HG13 ILE 10 2HG1 ILE 10 15.704 -3.260 10.925 72 HG21 ILE 10 1HG2 ILE 10 15.156 -6.316 9.131 73 HG22 ILE 10 2HG2 ILE 10 16.628 -6.036 10.060 74 HG23 ILE 10 3HG2 ILE 10 15.078 -5.463 10.672 75 HD11 ILE 10 3HD1 ILE 10 18.112 -2.422 10.890 76 HD12 ILE 10 1HD1 ILE 10 17.840 -4.130 11.234 77 HD13 ILE 10 2HD1 ILE 10 18.376 -3.628 9.630 78 H ALA 11 H ALA 11 14.802 -3.669 6.768 79 HA ALA 11 HA ALA 11 13.756 -5.777 5.462 80 HB1 ALA 11 3HB ALA 11 13.893 -2.891 4.803 81 HB2 ALA 11 1HB ALA 11 13.316 -3.986 3.546 82 HB3 ALA 11 2HB ALA 11 12.494 -3.921 5.106 83 H GLU 12 H GLU 12 16.569 -3.922 4.409 84 HA GLU 12 HA GLU 12 16.849 -5.325 1.928 85 HB2 GLU 12 1HB GLU 12 18.305 -3.216 3.386 86 HB3 GLU 12 2HB GLU 12 19.307 -4.241 2.369 87 HG2 GLU 12 1HG GLU 12 17.386 -3.735 0.615 88 HG3 GLU 12 2HG GLU 12 17.204 -2.298 1.620 89 H ALA 13 H ALA 13 18.938 -5.238 4.822 90 HA ALA 13 HA ALA 13 20.514 -7.439 4.116 91 HB1 ALA 13 3HB ALA 13 19.952 -6.017 6.677 92 HB2 ALA 13 1HB ALA 13 20.854 -7.533 6.707 93 HB3 ALA 13 2HB ALA 13 21.461 -6.163 5.776 94 H MET 14 H MET 14 17.277 -7.347 5.041 95 HA MET 14 HA MET 14 17.326 -10.116 6.020 96 HB2 MET 14 1HB MET 14 15.411 -9.696 7.205 97 HB3 MET 14 2HB MET 14 16.107 -8.081 7.194 98 HG2 MET 14 1HG MET 14 14.695 -7.516 5.258 99 HG3 MET 14 2HG MET 14 13.961 -9.115 5.356 100 HE1 MET 14 3HE MET 14 11.882 -7.483 5.177 101 HE2 MET 14 1HE MET 14 11.381 -8.851 6.171 102 HE3 MET 14 2HE MET 14 10.951 -7.209 6.650 103 H ALA 15 H ALA 15 17.256 -8.739 3.163 104 HA ALA 15 HA ALA 15 15.124 -10.471 2.092 105 HB1 ALA 15 3HB ALA 15 15.417 -8.875 0.048 106 HB2 ALA 15 1HB ALA 15 14.466 -8.364 1.442 107 HB3 ALA 15 2HB ALA 15 16.122 -7.789 1.245 108 H LYS 16 H LYS 16 18.360 -9.172 1.384 109 HA LYS 16 HA LYS 16 19.133 -10.423 -0.845 110 HB2 LYS 16 1HB LYS 16 20.466 -9.358 1.382 111 HB3 LYS 16 2HB LYS 16 21.163 -10.955 1.144 112 HG2 LYS 16 1HG LYS 16 20.948 -9.695 -1.392 113 HG3 LYS 16 2HG LYS 16 21.705 -8.565 -0.266 114 HD2 LYS 16 1HD LYS 16 23.167 -10.588 0.413 115 HD3 LYS 16 2HD LYS 16 22.620 -11.292 -1.110 116 HE2 LYS 16 1HE LYS 16 23.644 -9.623 -2.384 117 HE3 LYS 16 2HE LYS 16 23.786 -8.532 -1.007 118 HZ1 LYS 16 3HZ LYS 16 25.922 -9.319 -1.254 119 HZ2 LYS 16 1HZ LYS 16 25.429 -10.879 -1.685 120 HZ3 LYS 16 2HZ LYS 16 25.313 -10.370 -0.076 121 H GLY 17 H GLY 17 19.314 -12.026 2.342 122 HA2 GLY 17 1HA GLY 17 18.208 -14.442 1.655 123 HA3 GLY 17 2HA GLY 17 19.896 -14.581 1.185 Start of MODEL 20 1 HA SER 1 HA SER 1 12.530 9.956 11.612 2 HG SER 1 HG SER 1 10.376 9.526 12.502 3 H1 SER 1 1H SER 1 13.187 9.095 8.921 4 HB2 SER 1 1HB SER 1 10.751 8.262 9.991 5 HB3 SER 1 2HB SER 1 11.129 7.604 11.583 6 H ALA 2 H ALA 2 12.849 8.054 13.177 7 HA ALA 2 HA ALA 2 15.467 7.079 12.874 8 HB1 ALA 2 3HB ALA 2 13.619 7.254 14.939 9 HB2 ALA 2 1HB ALA 2 13.917 5.525 14.755 10 HB3 ALA 2 2HB ALA 2 15.264 6.626 15.042 11 H ALA 3 H ALA 3 12.322 5.467 12.538 12 HA ALA 3 HA ALA 3 13.384 2.903 11.959 13 HB1 ALA 3 3HB ALA 3 11.251 2.445 12.383 14 HB2 ALA 3 1HB ALA 3 10.778 4.127 12.140 15 HB3 ALA 3 2HB ALA 3 10.873 3.029 10.763 16 H GLU 4 H GLU 4 13.115 5.756 10.112 17 HA GLU 4 HA GLU 4 13.117 4.378 7.551 18 HB2 GLU 4 1HB GLU 4 13.231 7.310 8.271 19 HB3 GLU 4 2HB GLU 4 13.249 6.704 6.621 20 HG2 GLU 4 1HG GLU 4 11.052 5.522 7.973 21 HG3 GLU 4 2HG GLU 4 11.025 7.257 8.279 22 H ALA 5 H ALA 5 15.352 5.718 9.800 23 HA ALA 5 HA ALA 5 17.511 5.796 7.831 24 HB1 ALA 5 3HB ALA 5 17.141 7.609 9.583 25 HB2 ALA 5 1HB ALA 5 17.769 6.446 10.751 26 HB3 ALA 5 2HB ALA 5 18.780 6.982 9.409 27 H TYR 6 H TYR 6 16.333 3.898 10.500 28 HA TYR 6 HA TYR 6 18.769 2.310 10.632 29 HD1 TYR 6 HD2 TYR 6 19.273 0.628 13.206 30 HD2 TYR 6 HD1 TYR 6 15.221 0.260 11.960 31 HE1 TYR 6 HE2 TYR 6 19.282 -1.734 13.891 32 HE2 TYR 6 HE1 TYR 6 15.219 -2.102 12.643 33 HH TYR 6 HH TYR 6 18.085 -3.789 13.436 34 HB2 TYR 6 1HB TYR 6 17.910 2.600 12.772 35 HB3 TYR 6 2HB TYR 6 16.241 2.443 12.235 36 H ALA 7 H ALA 7 15.327 1.402 10.438 37 HA ALA 7 HA ALA 7 15.504 -1.142 9.567 38 HB1 ALA 7 3HB ALA 7 13.345 -0.924 8.586 39 HB2 ALA 7 1HB ALA 7 13.403 0.159 9.977 40 HB3 ALA 7 2HB ALA 7 13.563 0.809 8.345 41 H LYS 8 H LYS 8 16.389 1.677 7.768 42 HA LYS 8 HA LYS 8 16.227 1.066 5.157 43 HB2 LYS 8 1HB LYS 8 17.497 2.991 6.354 44 HB3 LYS 8 2HB LYS 8 18.895 1.932 6.231 45 HG2 LYS 8 1HG LYS 8 19.232 2.581 4.146 46 HG3 LYS 8 2HG LYS 8 17.614 2.043 3.691 47 HD2 LYS 8 1HD LYS 8 17.839 4.623 5.139 48 HD3 LYS 8 2HD LYS 8 18.395 4.581 3.464 49 HE2 LYS 8 1HE LYS 8 15.779 3.322 4.026 50 HE3 LYS 8 2HE LYS 8 15.853 5.077 4.166 51 HZ1 LYS 8 3HZ LYS 8 15.764 5.227 1.974 52 HZ2 LYS 8 1HZ LYS 8 15.668 3.543 1.842 53 HZ3 LYS 8 2HZ LYS 8 17.176 4.309 1.817 54 H ARG 9 H ARG 9 19.103 0.091 7.034 55 HA ARG 9 HA ARG 9 20.089 -1.687 5.106 56 HE ARG 9 HE ARG 9 22.667 -0.004 9.605 57 HB2 ARG 9 1HB ARG 9 21.155 -2.717 7.342 58 HB3 ARG 9 2HB ARG 9 21.739 -1.233 6.600 59 HG2 ARG 9 1HG ARG 9 19.551 -0.945 8.560 60 HG3 ARG 9 2HG ARG 9 21.122 -1.441 9.192 61 HD2 ARG 9 1HD ARG 9 21.196 0.771 7.258 62 HD3 ARG 9 2HD ARG 9 20.368 1.133 8.772 63 HH11 ARG 9 2HH1 ARG 9 21.970 2.577 7.376 64 HH12 ARG 9 1HH1 ARG 9 23.449 3.423 7.689 65 HH21 ARG 9 2HH2 ARG 9 24.618 1.100 10.026 66 HH22 ARG 9 1HH2 ARG 9 24.955 2.581 9.196 67 H ILE 10 H ILE 10 18.627 -2.574 8.240 68 HA ILE 10 HA ILE 10 18.340 -5.216 8.057 69 HB ILE 10 HB ILE 10 15.845 -3.723 8.753 70 HG12 ILE 10 1HG1 ILE 10 17.457 -2.259 9.697 71 HG13 ILE 10 2HG1 ILE 10 16.928 -3.296 11.017 72 HG21 ILE 10 1HG2 ILE 10 15.944 -5.342 10.682 73 HG22 ILE 10 2HG2 ILE 10 15.737 -6.065 9.087 74 HG23 ILE 10 3HG2 ILE 10 17.317 -6.096 9.871 75 HD11 ILE 10 3HD1 ILE 10 19.140 -4.555 9.806 76 HD12 ILE 10 1HD1 ILE 10 19.554 -2.855 10.030 77 HD13 ILE 10 2HD1 ILE 10 19.034 -3.825 11.408 78 H ALA 11 H ALA 11 15.608 -3.216 6.947 79 HA ALA 11 HA ALA 11 14.118 -5.013 5.622 80 HB1 ALA 11 3HB ALA 11 13.775 -3.081 3.872 81 HB2 ALA 11 1HB ALA 11 13.215 -2.911 5.536 82 HB3 ALA 11 2HB ALA 11 14.730 -2.160 5.033 83 H GLU 12 H GLU 12 17.097 -3.564 4.387 84 HA GLU 12 HA GLU 12 16.926 -4.852 1.836 85 HB2 GLU 12 1HB GLU 12 18.823 -3.077 3.229 86 HB3 GLU 12 2HB GLU 12 19.555 -4.186 2.078 87 HG2 GLU 12 1HG GLU 12 17.588 -3.293 0.543 88 HG3 GLU 12 2HG GLU 12 17.727 -1.903 1.619 89 H ALA 13 H ALA 13 19.264 -5.247 4.505 90 HA ALA 13 HA ALA 13 20.389 -7.629 3.556 91 HB1 ALA 13 3HB ALA 13 21.719 -6.680 5.145 92 HB2 ALA 13 1HB ALA 13 20.358 -6.209 6.164 93 HB3 ALA 13 2HB ALA 13 20.903 -7.887 6.140 94 H MET 14 H MET 14 17.307 -7.090 4.760 95 HA MET 14 HA MET 14 17.009 -9.878 5.646 96 HB2 MET 14 1HB MET 14 15.317 -9.230 7.049 97 HB3 MET 14 2HB MET 14 16.264 -7.749 7.029 98 HG2 MET 14 1HG MET 14 14.775 -6.857 5.280 99 HG3 MET 14 2HG MET 14 13.800 -8.320 5.401 100 HE1 MET 14 3HE MET 14 11.391 -6.050 6.601 101 HE2 MET 14 1HE MET 14 11.862 -7.468 5.662 102 HE3 MET 14 2HE MET 14 11.248 -7.662 7.304 103 H ALA 15 H ALA 15 16.877 -8.348 2.872 104 HA ALA 15 HA ALA 15 14.372 -9.615 1.975 105 HB1 ALA 15 3HB ALA 15 15.638 -7.057 1.337 106 HB2 ALA 15 1HB ALA 15 15.097 -7.964 -0.076 107 HB3 ALA 15 2HB ALA 15 13.952 -7.556 1.202 108 H LYS 16 H LYS 16 17.789 -9.140 1.224 109 HA LYS 16 HA LYS 16 17.885 -10.592 -1.170 110 HB2 LYS 16 1HB LYS 16 19.701 -9.123 -0.299 111 HB3 LYS 16 2HB LYS 16 20.070 -10.350 0.905 112 HG2 LYS 16 1HG LYS 16 20.795 -11.883 -0.742 113 HG3 LYS 16 2HG LYS 16 20.139 -10.894 -2.049 114 HD2 LYS 16 1HD LYS 16 22.511 -10.583 -2.005 115 HD3 LYS 16 2HD LYS 16 21.758 -9.104 -1.404 116 HE2 LYS 16 1HE LYS 16 22.628 -11.252 0.492 117 HE3 LYS 16 2HE LYS 16 23.797 -10.098 -0.147 118 HZ1 LYS 16 3HZ LYS 16 21.683 -8.566 0.673 119 HZ2 LYS 16 1HZ LYS 16 23.153 -8.763 1.487 120 HZ3 LYS 16 2HZ LYS 16 21.829 -9.738 1.884 121 H GLY 17 H GLY 17 18.473 -11.650 2.178 122 HA2 GLY 17 1HA GLY 17 17.867 -14.397 1.302 123 HA3 GLY 17 2HA GLY 17 19.294 -14.080 2.277
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