NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
10737 | 1q71 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 2H GLY 1 HN2 GLY 1 -7.167 -1.069 -0.226 2 1HA GLY 1 2HA GLY 1 -9.087 -1.664 0.893 3 2HA GLY 1 1HA GLY 1 -9.393 -2.841 -0.374 4 H GLY 2 H GLY 2 -6.565 -2.683 1.750 5 1HA GLY 2 2HA GLY 2 -7.359 -4.519 3.682 6 2HA GLY 2 1HA GLY 2 -6.680 -5.443 2.349 7 H ALA 3 H ALA 3 -4.794 -6.142 3.194 8 HA ALA 3 HA ALA 3 -2.756 -4.126 3.723 9 1HB ALA 3 1HB ALA 3 -2.016 -5.574 5.730 10 2HB ALA 3 2HB ALA 3 -3.677 -6.167 5.716 11 3HB ALA 3 3HB ALA 3 -3.357 -4.449 5.948 12 H GLY 4 H GLY 4 -0.710 -4.784 3.154 13 1HA GLY 4 2HA GLY 4 0.239 -7.366 2.860 14 2HA GLY 4 1HA GLY 4 -0.515 -6.944 1.329 15 H HIS 5 H HIS 5 1.004 -6.418 -0.092 16 HA HIS 5 HA HIS 5 3.236 -4.717 0.825 17 1HB HIS 5 2HB HIS 5 3.254 -6.646 -1.508 18 2HB HIS 5 1HB HIS 5 4.617 -5.702 -0.919 19 HD1 HIS 5 1HD HIS 5 2.395 -8.602 0.103 20 HD2 HIS 5 2HD HIS 5 6.072 -6.888 1.075 21 HE1 HIS 5 1HE HIS 5 3.484 -10.187 1.729 22 HE2 HIS 5 2HE HIS 5 5.643 -9.071 2.396 23 H VAL 6 H VAL 6 0.889 -5.348 -1.735 24 HA VAL 6 HA VAL 6 1.739 -2.990 -3.222 25 HB VAL 6 HB VAL 6 -0.581 -4.860 -3.751 26 1HG1 VAL 6 1HG1 VAL 6 0.645 -3.321 -5.941 27 2HG1 VAL 6 2HG1 VAL 6 -0.278 -2.383 -4.769 28 3HG1 VAL 6 3HG1 VAL 6 -1.046 -3.714 -5.635 29 1HG2 VAL 6 1HG2 VAL 6 2.190 -4.838 -4.940 30 2HG2 VAL 6 2HG2 VAL 6 0.859 -5.877 -5.450 31 3HG2 VAL 6 3HG2 VAL 6 1.543 -6.047 -3.834 32 HA PRO 7 HA PRO 7 -1.072 -0.466 -0.822 33 1HB PRO 7 2HB PRO 7 -0.656 1.835 -2.219 34 2HB PRO 7 1HB PRO 7 0.460 1.220 -0.994 35 1HG PRO 7 2HG PRO 7 0.604 0.996 -3.973 36 2HG PRO 7 1HG PRO 7 1.898 1.348 -2.812 37 1HD PRO 7 2HD PRO 7 1.551 -1.103 -3.899 38 2HD PRO 7 1HD PRO 7 2.171 -0.871 -2.252 39 H GLU 8 H GLU 8 -3.170 0.043 -0.993 40 HA GLU 8 HA GLU 8 -4.460 -0.326 -3.589 41 1HB GLU 8 2HB GLU 8 -5.362 -0.493 -0.755 42 2HB GLU 8 1HB GLU 8 -6.552 -0.068 -1.974 43 1HG GLU 8 2HG GLU 8 -5.956 -2.135 -3.202 44 2HG GLU 8 1HG GLU 8 -4.887 -2.570 -1.868 45 H TYR 9 H TYR 9 -5.355 1.781 -0.856 46 HA TYR 9 HA TYR 9 -5.848 3.912 -2.821 47 1HB TYR 9 2HB TYR 9 -7.004 3.558 -0.053 48 2HB TYR 9 1HB TYR 9 -7.364 4.893 -1.135 49 HD1 TYR 9 1HD TYR 9 -7.562 1.169 -0.934 50 HD2 TYR 9 2HD TYR 9 -9.170 4.745 -2.588 51 HE1 TYR 9 1HE TYR 9 -9.406 -0.122 -1.917 52 HE2 TYR 9 2HE TYR 9 -11.020 3.461 -3.576 53 HH TYR 9 HH TYR 9 -11.821 1.413 -4.000 54 H PHE 10 H PHE 10 -5.046 5.906 -2.591 55 HA PHE 10 HA PHE 10 -3.097 6.363 -0.428 56 1HB PHE 10 2HB PHE 10 -3.070 7.618 -3.183 57 2HB PHE 10 1HB PHE 10 -1.853 7.804 -1.936 58 HD1 PHE 10 1HD PHE 10 -3.487 5.027 -3.848 59 HD2 PHE 10 2HD PHE 10 0.088 6.652 -2.209 60 HE1 PHE 10 1HE PHE 10 -2.203 3.170 -4.820 61 HE2 PHE 10 2HE PHE 10 1.378 4.796 -3.177 62 HZ PHE 10 HZ PHE 10 0.234 3.054 -4.485 63 H VAL 11 H VAL 11 -3.087 8.436 0.513 64 HA VAL 11 HA VAL 11 -5.635 9.816 0.310 65 HB VAL 11 HB VAL 11 -4.841 11.182 2.216 66 1HG1 VAL 11 1HG1 VAL 11 -5.600 8.500 2.187 67 2HG1 VAL 11 2HG1 VAL 11 -5.696 9.622 3.544 68 3HG1 VAL 11 3HG1 VAL 11 -4.277 8.593 3.349 69 1HG2 VAL 11 1HG2 VAL 11 -2.773 10.485 3.388 70 2HG2 VAL 11 2HG2 VAL 11 -2.464 11.194 1.803 71 3HG2 VAL 11 3HG2 VAL 11 -2.382 9.445 2.018 72 H GLY 12 H GLY 12 -4.981 12.412 0.922 73 1HA GLY 12 2HA GLY 12 -4.520 13.548 -1.568 74 2HA GLY 12 1HA GLY 12 -4.427 14.410 -0.050 75 H ILE 13 H ILE 13 -2.243 13.083 1.071 76 HA ILE 13 HA ILE 13 -0.118 14.312 -0.465 77 HB ILE 13 HB ILE 13 1.314 13.698 1.527 78 1HG1 ILE 13 2HG1 ILE 13 -1.379 13.006 2.728 79 2HG1 ILE 13 1HG1 ILE 13 -0.105 11.849 2.356 80 1HG2 ILE 13 1HG2 ILE 13 0.072 15.894 1.083 81 2HG2 ILE 13 2HG2 ILE 13 0.645 15.589 2.722 82 3HG2 ILE 13 3HG2 ILE 13 -1.057 15.354 2.323 83 1HD1 ILE 13 1HD1 ILE 13 0.282 14.134 4.263 84 2HD1 ILE 13 2HD1 ILE 13 1.295 12.707 4.047 85 3HD1 ILE 13 3HD1 ILE 13 -0.310 12.550 4.762 86 H GLY 14 H GLY 14 -1.292 11.940 -1.540 87 1HA GLY 14 2HA GLY 14 -0.721 9.959 -2.538 88 2HA GLY 14 1HA GLY 14 0.902 10.625 -2.559 89 H THR 15 H THR 15 -0.765 9.909 0.435 90 HA THR 15 HA THR 15 1.240 7.831 0.946 91 HB THR 15 HB THR 15 -0.548 9.199 2.964 92 HG1 THR 15 1HG THR 15 1.539 10.194 1.606 93 1HG2 THR 15 1HG2 THR 15 2.108 7.943 3.535 94 2HG2 THR 15 2HG2 THR 15 0.670 6.930 3.407 95 3HG2 THR 15 3HG2 THR 15 0.741 8.211 4.617 96 HA PRO 16 HA PRO 16 -2.202 5.012 0.536 97 1HB PRO 16 2HB PRO 16 -0.777 2.732 0.600 98 2HB PRO 16 1HB PRO 16 -0.804 3.789 -0.814 99 1HG PRO 16 2HG PRO 16 1.295 3.471 1.279 100 2HG PRO 16 1HG PRO 16 1.476 3.755 -0.461 101 1HD PRO 16 2HD PRO 16 1.690 5.699 1.507 102 2HD PRO 16 1HD PRO 16 1.365 6.014 -0.207 103 H ILE 17 H ILE 17 -3.522 4.488 2.140 104 HA ILE 17 HA ILE 17 -2.354 3.482 4.654 105 HB ILE 17 HB ILE 17 -5.037 4.866 4.466 106 1HG1 ILE 17 2HG1 ILE 17 -2.341 6.057 5.175 107 2HG1 ILE 17 1HG1 ILE 17 -3.322 6.467 3.773 108 1HG2 ILE 17 1HG2 ILE 17 -3.242 4.504 6.858 109 2HG2 ILE 17 2HG2 ILE 17 -4.481 3.335 6.408 110 3HG2 ILE 17 3HG2 ILE 17 -4.938 4.984 6.835 111 1HD1 ILE 17 1HD1 ILE 17 -4.207 8.099 4.970 112 2HD1 ILE 17 2HD1 ILE 17 -3.407 7.529 6.434 113 3HD1 ILE 17 3HD1 ILE 17 -4.980 6.875 5.977 114 H SER 18 H SER 18 -2.825 1.903 2.472 115 HA SER 18 HA SER 18 -4.304 -0.219 3.541 116 1HB SER 18 2HB SER 18 -6.086 -0.324 1.747 117 2HB SER 18 1HB SER 18 -6.318 0.943 2.948 118 HG SER 18 HG SER 18 -5.363 2.405 1.434 119 H PHE 19 H PHE 19 -3.960 -2.107 2.375 120 HA PHE 19 HA PHE 19 -2.411 -1.829 -0.113 121 1HB PHE 19 2HB PHE 19 -1.737 -3.657 2.203 122 2HB PHE 19 1HB PHE 19 -0.948 -3.697 0.632 123 HD1 PHE 19 1HD PHE 19 0.881 -2.328 0.186 124 HD2 PHE 19 2HD PHE 19 -1.546 -1.529 3.590 125 HE1 PHE 19 1HE PHE 19 2.526 -0.676 0.969 126 HE2 PHE 19 2HE PHE 19 0.093 0.127 4.376 127 HZ PHE 19 HZ PHE 19 2.134 0.556 3.064 128 H TYR 20 H TYR 20 -2.070 -4.431 -0.796 129 HA TYR 20 HA TYR 20 -4.823 -5.513 -0.800 130 1HB TYR 20 2HB TYR 20 -4.016 -4.489 -2.975 131 2HB TYR 20 1HB TYR 20 -2.820 -5.768 -3.042 132 HD1 TYR 20 1HD TYR 20 -3.424 -7.127 -4.821 133 HD2 TYR 20 2HD TYR 20 -6.414 -5.903 -2.052 134 HE1 TYR 20 1HE TYR 20 -5.045 -8.610 -5.925 135 HE2 TYR 20 2HE TYR 20 -8.042 -7.383 -3.147 136 HH TYR 20 HH TYR 20 -8.323 -9.017 -4.655 137 H GLY 21 H GLY 21 -1.559 -6.454 -1.702 138 1HA GLY 21 2HA GLY 21 -1.510 -8.641 0.181 139 2HA GLY 21 1HA GLY 21 -1.617 -9.143 -1.504 Start of MODEL 2 1 2H GLY 1 HN2 GLY 1 -7.266 -0.962 -0.381 2 1HA GLY 1 2HA GLY 1 -9.112 -1.574 0.836 3 2HA GLY 1 1HA GLY 1 -9.338 -2.873 -0.324 4 H GLY 2 H GLY 2 -6.563 -2.400 1.817 5 1HA GLY 2 2HA GLY 2 -7.298 -4.066 3.907 6 2HA GLY 2 1HA GLY 2 -6.597 -5.101 2.670 7 H ALA 3 H ALA 3 -4.679 -5.656 3.537 8 HA ALA 3 HA ALA 3 -2.709 -3.534 3.874 9 1HB ALA 3 1HB ALA 3 -3.475 -5.477 6.036 10 2HB ALA 3 2HB ALA 3 -3.350 -3.720 6.129 11 3HB ALA 3 3HB ALA 3 -1.891 -4.703 5.991 12 H GLY 4 H GLY 4 -0.688 -4.143 3.238 13 1HA GLY 4 2HA GLY 4 0.379 -6.707 3.193 14 2HA GLY 4 1HA GLY 4 -0.441 -6.474 1.654 15 H HIS 5 H HIS 5 1.015 -6.045 0.133 16 HA HIS 5 HA HIS 5 3.195 -4.167 0.798 17 1HB HIS 5 2HB HIS 5 3.341 -6.239 -1.387 18 2HB HIS 5 1HB HIS 5 4.661 -5.329 -0.659 19 HD1 HIS 5 1HD HIS 5 4.441 -5.897 2.249 20 HD2 HIS 5 2HD HIS 5 3.647 -8.790 -0.622 21 HE1 HIS 5 1HE HIS 5 4.727 -8.101 3.419 22 HE2 HIS 5 2HE HIS 5 3.963 -9.805 1.729 23 H VAL 6 H VAL 6 0.861 -5.182 -1.668 24 HA VAL 6 HA VAL 6 1.644 -2.984 -3.415 25 HB VAL 6 HB VAL 6 -0.653 -4.924 -3.751 26 1HG1 VAL 6 1HG1 VAL 6 0.726 -3.059 -5.675 27 2HG1 VAL 6 2HG1 VAL 6 -0.946 -2.977 -5.119 28 3HG1 VAL 6 3HG1 VAL 6 -0.425 -4.307 -6.152 29 1HG2 VAL 6 1HG2 VAL 6 1.068 -5.873 -5.494 30 2HG2 VAL 6 2HG2 VAL 6 1.119 -6.378 -3.805 31 3HG2 VAL 6 3HG2 VAL 6 2.246 -5.155 -4.394 32 HA PRO 7 HA PRO 7 -1.150 -0.262 -1.204 33 1HB PRO 7 2HB PRO 7 -0.492 1.540 -3.451 34 2HB PRO 7 1HB PRO 7 -0.315 1.793 -1.713 35 1HG PRO 7 2HG PRO 7 1.814 1.360 -3.262 36 2HG PRO 7 1HG PRO 7 1.717 0.683 -1.625 37 1HD PRO 7 2HD PRO 7 1.265 -0.661 -4.263 38 2HD PRO 7 1HD PRO 7 2.110 -1.263 -2.821 39 H GLU 8 H GLU 8 -3.248 0.144 -1.339 40 HA GLU 8 HA GLU 8 -4.644 -0.406 -3.855 41 1HB GLU 8 2HB GLU 8 -5.569 -0.234 -0.988 42 2HB GLU 8 1HB GLU 8 -6.698 -0.281 -2.332 43 1HG GLU 8 2HG GLU 8 -5.694 -2.448 -3.014 44 2HG GLU 8 1HG GLU 8 -4.725 -2.404 -1.542 45 H TYR 9 H TYR 9 -5.314 1.789 -1.137 46 HA TYR 9 HA TYR 9 -5.809 3.930 -3.099 47 1HB TYR 9 2HB TYR 9 -7.130 3.502 -0.413 48 2HB TYR 9 1HB TYR 9 -7.397 4.891 -1.455 49 HD1 TYR 9 1HD TYR 9 -9.139 4.851 -2.986 50 HD2 TYR 9 2HD TYR 9 -7.679 1.165 -1.447 51 HE1 TYR 9 1HE TYR 9 -10.973 3.662 -4.109 52 HE2 TYR 9 2HE TYR 9 -9.506 -0.035 -2.571 53 HH TYR 9 HH TYR 9 -11.170 0.977 -4.971 54 H PHE 10 H PHE 10 -5.003 5.938 -2.708 55 HA PHE 10 HA PHE 10 -3.067 6.153 -0.504 56 1HB PHE 10 2HB PHE 10 -3.091 7.699 -3.103 57 2HB PHE 10 1HB PHE 10 -1.861 7.783 -1.855 58 HD1 PHE 10 1HD PHE 10 0.065 6.588 -2.147 59 HD2 PHE 10 2HD PHE 10 -3.476 5.263 -4.099 60 HE1 PHE 10 1HE PHE 10 1.357 4.840 -3.297 61 HE2 PHE 10 2HE PHE 10 -2.191 3.509 -5.247 62 HZ PHE 10 HZ PHE 10 0.228 3.297 -4.847 63 H VAL 11 H VAL 11 -2.967 8.098 0.656 64 HA VAL 11 HA VAL 11 -5.507 9.476 0.842 65 HB VAL 11 HB VAL 11 -4.517 10.656 2.770 66 1HG1 VAL 11 1HG1 VAL 11 -5.641 8.542 3.135 67 2HG1 VAL 11 2HG1 VAL 11 -4.268 8.695 4.231 68 3HG1 VAL 11 3HG1 VAL 11 -4.147 7.665 2.805 69 1HG2 VAL 11 1HG2 VAL 11 -2.246 10.905 2.277 70 2HG2 VAL 11 2HG2 VAL 11 -2.043 9.190 1.916 71 3HG2 VAL 11 3HG2 VAL 11 -2.273 9.719 3.583 72 H GLY 12 H GLY 12 -4.781 12.015 1.623 73 1HA GLY 12 2HA GLY 12 -4.601 13.380 -0.796 74 2HA GLY 12 1HA GLY 12 -4.365 14.103 0.779 75 H ILE 13 H ILE 13 -2.068 12.711 1.549 76 HA ILE 13 HA ILE 13 -0.117 14.112 -0.072 77 HB ILE 13 HB ILE 13 1.510 13.365 1.711 78 1HG1 ILE 13 2HG1 ILE 13 -1.041 12.521 3.109 79 2HG1 ILE 13 1HG1 ILE 13 0.203 11.425 2.516 80 1HG2 ILE 13 1HG2 ILE 13 -0.886 15.027 2.466 81 2HG2 ILE 13 2HG2 ILE 13 0.612 15.587 1.721 82 3HG2 ILE 13 3HG2 ILE 13 0.623 14.982 3.378 83 1HD1 ILE 13 1HD1 ILE 13 0.719 13.546 4.580 84 2HD1 ILE 13 2HD1 ILE 13 1.765 12.204 4.119 85 3HD1 ILE 13 3HD1 ILE 13 0.254 11.892 4.972 86 H GLY 14 H GLY 14 -1.346 11.830 -1.255 87 1HA GLY 14 2HA GLY 14 -0.840 9.952 -2.468 88 2HA GLY 14 1HA GLY 14 0.765 10.651 -2.568 89 H THR 15 H THR 15 -0.680 9.594 0.450 90 HA THR 15 HA THR 15 1.401 7.529 0.616 91 HB THR 15 HB THR 15 -0.230 8.675 2.889 92 HG1 THR 15 1HG THR 15 1.724 9.834 1.462 93 1HG2 THR 15 1HG2 THR 15 1.227 7.589 4.336 94 2HG2 THR 15 2HG2 THR 15 2.482 7.420 3.109 95 3HG2 THR 15 3HG2 THR 15 1.040 6.407 3.041 96 HA PRO 16 HA PRO 16 -1.887 4.565 0.049 97 1HB PRO 16 2HB PRO 16 -0.444 2.352 0.775 98 2HB PRO 16 1HB PRO 16 -0.361 3.105 -0.822 99 1HG PRO 16 2HG PRO 16 1.497 3.383 1.504 100 2HG PRO 16 1HG PRO 16 1.875 3.237 -0.222 101 1HD PRO 16 2HD PRO 16 1.935 5.606 1.070 102 2HD PRO 16 1HD PRO 16 1.451 5.469 -0.633 103 H ILE 17 H ILE 17 -3.488 4.199 1.429 104 HA ILE 17 HA ILE 17 -2.814 3.650 4.244 105 HB ILE 17 HB ILE 17 -3.967 5.837 3.828 106 1HG1 ILE 17 2HG1 ILE 17 -5.685 5.560 5.602 107 2HG1 ILE 17 1HG1 ILE 17 -5.497 3.814 5.477 108 1HG2 ILE 17 1HG2 ILE 17 -5.557 4.375 2.119 109 2HG2 ILE 17 2HG2 ILE 17 -5.831 6.038 2.638 110 3HG2 ILE 17 3HG2 ILE 17 -6.615 4.708 3.491 111 1HD1 ILE 17 1HD1 ILE 17 -3.333 3.876 6.368 112 2HD1 ILE 17 2HD1 ILE 17 -4.275 4.989 7.362 113 3HD1 ILE 17 3HD1 ILE 17 -3.190 5.616 6.121 114 H SER 18 H SER 18 -3.019 1.837 2.054 115 HA SER 18 HA SER 18 -4.357 -0.300 3.223 116 1HB SER 18 2HB SER 18 -6.183 -0.599 1.477 117 2HB SER 18 1HB SER 18 -6.466 0.681 2.654 118 HG SER 18 HG SER 18 -5.872 2.194 1.129 119 H PHE 19 H PHE 19 -4.018 -2.244 2.057 120 HA PHE 19 HA PHE 19 -2.630 -2.012 -0.512 121 1HB PHE 19 2HB PHE 19 -1.523 -3.755 1.686 122 2HB PHE 19 1HB PHE 19 -0.800 -3.404 0.129 123 HD1 PHE 19 1HD PHE 19 -1.637 -1.925 3.419 124 HD2 PHE 19 2HD PHE 19 0.620 -1.566 -0.170 125 HE1 PHE 19 1HE PHE 19 -0.341 -0.091 4.423 126 HE2 PHE 19 2HE PHE 19 1.921 0.267 0.828 127 HZ PHE 19 HZ PHE 19 1.441 1.007 3.126 128 H TYR 20 H TYR 20 -2.242 -4.326 -1.398 129 HA TYR 20 HA TYR 20 -4.788 -5.736 -1.143 130 1HB TYR 20 2HB TYR 20 -2.502 -6.098 -3.090 131 2HB TYR 20 1HB TYR 20 -3.972 -7.060 -3.104 132 HD1 TYR 20 1HD TYR 20 -6.013 -6.185 -4.010 133 HD2 TYR 20 2HD TYR 20 -2.558 -3.720 -3.733 134 HE1 TYR 20 1HE TYR 20 -7.072 -4.545 -5.504 135 HE2 TYR 20 2HE TYR 20 -3.610 -2.069 -5.220 136 HH TYR 20 HH TYR 20 -5.404 -1.535 -6.401 137 H GLY 21 H GLY 21 -1.364 -6.566 -1.228 138 1HA GLY 21 2HA GLY 21 -1.438 -8.241 1.041 139 2HA GLY 21 1HA GLY 21 -1.526 -9.210 -0.430 Start of MODEL 3 1 2H GLY 1 HN2 GLY 1 -7.082 -1.080 -0.008 2 1HA GLY 1 2HA GLY 1 -9.075 -1.801 0.966 3 2HA GLY 1 1HA GLY 1 -8.884 -3.347 0.159 4 H GLY 2 H GLY 2 -6.371 -4.122 1.088 5 1HA GLY 2 2HA GLY 2 -6.994 -4.524 3.944 6 2HA GLY 2 1HA GLY 2 -6.112 -5.663 2.937 7 H ALA 3 H ALA 3 -4.162 -5.816 3.866 8 HA ALA 3 HA ALA 3 -2.528 -3.406 3.965 9 1HB ALA 3 1HB ALA 3 -2.837 -3.236 6.180 10 2HB ALA 3 2HB ALA 3 -1.714 -4.593 6.276 11 3HB ALA 3 3HB ALA 3 -3.454 -4.883 6.320 12 H GLY 4 H GLY 4 -2.335 -5.300 2.061 13 1HA GLY 4 2HA GLY 4 -0.401 -7.320 2.748 14 2HA GLY 4 1HA GLY 4 -1.017 -6.964 1.143 15 H HIS 5 H HIS 5 0.605 -6.476 -0.184 16 HA HIS 5 HA HIS 5 2.845 -4.903 0.912 17 1HB HIS 5 2HB HIS 5 2.816 -6.782 -1.456 18 2HB HIS 5 1HB HIS 5 4.211 -5.860 -0.907 19 HD1 HIS 5 1HD HIS 5 1.885 -8.618 0.319 20 HD2 HIS 5 2HD HIS 5 5.706 -7.094 1.007 21 HE1 HIS 5 1HE HIS 5 2.970 -10.196 1.947 22 HE2 HIS 5 2HE HIS 5 5.212 -9.171 2.466 23 H VAL 6 H VAL 6 0.801 -5.242 -1.998 24 HA VAL 6 HA VAL 6 1.877 -2.738 -3.027 25 HB VAL 6 HB VAL 6 0.225 -3.179 -4.937 26 1HG1 VAL 6 1HG1 VAL 6 2.803 -3.932 -4.523 27 2HG1 VAL 6 2HG1 VAL 6 1.932 -4.138 -6.043 28 3HG1 VAL 6 3HG1 VAL 6 2.047 -5.480 -4.904 29 1HG2 VAL 6 1HG2 VAL 6 0.212 -5.977 -3.834 30 2HG2 VAL 6 2HG2 VAL 6 -0.718 -5.324 -5.184 31 3HG2 VAL 6 3HG2 VAL 6 -1.103 -4.840 -3.532 32 HA PRO 7 HA PRO 7 -1.159 -0.305 -0.899 33 1HB PRO 7 2HB PRO 7 -0.444 1.671 -2.993 34 2HB PRO 7 1HB PRO 7 -0.434 1.833 -1.234 35 1HG PRO 7 2HG PRO 7 1.843 1.582 -2.587 36 2HG PRO 7 1HG PRO 7 1.623 0.784 -1.018 37 1HD PRO 7 2HD PRO 7 1.510 -0.381 -3.771 38 2HD PRO 7 1HD PRO 7 2.200 -1.065 -2.284 39 H GLU 8 H GLU 8 -3.253 0.100 -1.083 40 HA GLU 8 HA GLU 8 -4.578 -0.401 -3.640 41 1HB GLU 8 2HB GLU 8 -5.594 -0.240 -0.800 42 2HB GLU 8 1HB GLU 8 -6.663 -0.365 -2.186 43 1HG GLU 8 2HG GLU 8 -5.602 -2.498 -2.780 44 2HG GLU 8 1HG GLU 8 -4.597 -2.374 -1.339 45 H TYR 9 H TYR 9 -5.355 1.750 -0.921 46 HA TYR 9 HA TYR 9 -5.992 3.859 -2.869 47 1HB TYR 9 2HB TYR 9 -6.983 3.487 -0.034 48 2HB TYR 9 1HB TYR 9 -7.400 4.841 -1.074 49 HD1 TYR 9 1HD TYR 9 -9.327 4.730 -2.354 50 HD2 TYR 9 2HD TYR 9 -7.572 1.108 -0.974 51 HE1 TYR 9 1HE TYR 9 -11.249 3.470 -3.228 52 HE2 TYR 9 2HE TYR 9 -9.485 -0.159 -1.849 53 HH TYR 9 HH TYR 9 -11.548 0.900 -4.042 54 H PHE 10 H PHE 10 -5.231 5.932 -2.581 55 HA PHE 10 HA PHE 10 -3.157 6.269 -0.519 56 1HB PHE 10 2HB PHE 10 -3.076 7.573 -3.236 57 2HB PHE 10 1HB PHE 10 -1.809 7.544 -2.027 58 HD1 PHE 10 1HD PHE 10 -3.774 5.222 -4.196 59 HD2 PHE 10 2HD PHE 10 -0.082 6.056 -2.251 60 HE1 PHE 10 1HE PHE 10 -2.753 3.283 -5.312 61 HE2 PHE 10 2HE PHE 10 0.944 4.118 -3.360 62 HZ PHE 10 HZ PHE 10 -0.390 2.729 -4.896 63 H VAL 11 H VAL 11 -3.087 8.201 0.510 64 HA VAL 11 HA VAL 11 -5.443 9.866 0.393 65 HB VAL 11 HB VAL 11 -2.913 10.280 2.018 66 1HG1 VAL 11 1HG1 VAL 11 -5.661 11.305 2.666 67 2HG1 VAL 11 2HG1 VAL 11 -4.524 12.229 1.685 68 3HG1 VAL 11 3HG1 VAL 11 -4.111 11.801 3.345 69 1HG2 VAL 11 1HG2 VAL 11 -5.475 9.000 2.942 70 2HG2 VAL 11 2HG2 VAL 11 -3.963 9.154 3.834 71 3HG2 VAL 11 3HG2 VAL 11 -4.053 8.092 2.430 72 H GLY 12 H GLY 12 -5.346 12.179 -0.030 73 1HA GLY 12 2HA GLY 12 -4.156 12.902 -2.398 74 2HA GLY 12 1HA GLY 12 -4.707 14.050 -1.197 75 H ILE 13 H ILE 13 -2.765 13.076 0.788 76 HA ILE 13 HA ILE 13 -0.526 14.674 -0.095 77 HB ILE 13 HB ILE 13 0.345 14.328 2.216 78 1HG1 ILE 13 2HG1 ILE 13 -2.295 12.903 2.640 79 2HG1 ILE 13 1HG1 ILE 13 -0.717 12.122 2.608 80 1HG2 ILE 13 1HG2 ILE 13 -0.915 16.030 3.019 81 2HG2 ILE 13 2HG2 ILE 13 -2.441 15.248 2.602 82 3HG2 ILE 13 3HG2 ILE 13 -1.493 16.059 1.354 83 1HD1 ILE 13 1HD1 ILE 13 -1.545 12.456 4.881 84 2HD1 ILE 13 2HD1 ILE 13 -1.589 14.197 4.604 85 3HD1 ILE 13 3HD1 ILE 13 -0.047 13.342 4.589 86 H GLY 14 H GLY 14 -0.943 12.110 -1.372 87 1HA GLY 14 2HA GLY 14 0.264 10.312 -2.127 88 2HA GLY 14 1HA GLY 14 1.675 11.243 -1.660 89 H THR 15 H THR 15 -0.895 9.636 0.239 90 HA THR 15 HA THR 15 1.211 7.988 1.469 91 HB THR 15 HB THR 15 -1.019 9.275 3.050 92 HG1 THR 15 1HG THR 15 1.287 10.359 2.141 93 1HG2 THR 15 1HG2 THR 15 0.710 7.146 3.627 94 2HG2 THR 15 2HG2 THR 15 -0.319 8.024 4.759 95 3HG2 THR 15 3HG2 THR 15 1.352 8.531 4.510 96 HA PRO 16 HA PRO 16 -1.944 4.940 0.445 97 1HB PRO 16 2HB PRO 16 -0.027 2.925 1.236 98 2HB PRO 16 1HB PRO 16 -0.592 3.327 -0.386 99 1HG PRO 16 2HG PRO 16 1.958 3.783 0.493 100 2HG PRO 16 1HG PRO 16 1.173 4.719 -0.791 101 1HD PRO 16 2HD PRO 16 1.563 5.412 2.095 102 2HD PRO 16 1HD PRO 16 1.695 6.449 0.658 103 H ILE 17 H ILE 17 -3.501 4.175 1.773 104 HA ILE 17 HA ILE 17 -2.723 3.451 4.518 105 HB ILE 17 HB ILE 17 -4.838 4.273 5.385 106 1HG1 ILE 17 2HG1 ILE 17 -6.153 3.961 3.255 107 2HG1 ILE 17 1HG1 ILE 17 -6.465 5.466 4.106 108 1HG2 ILE 17 1HG2 ILE 17 -3.431 5.978 5.744 109 2HG2 ILE 17 2HG2 ILE 17 -4.426 6.798 4.541 110 3HG2 ILE 17 3HG2 ILE 17 -2.906 6.043 4.061 111 1HD1 ILE 17 1HD1 ILE 17 -5.514 6.743 2.464 112 2HD1 ILE 17 2HD1 ILE 17 -6.178 5.415 1.513 113 3HD1 ILE 17 3HD1 ILE 17 -4.459 5.443 1.908 114 H SER 18 H SER 18 -2.916 1.753 2.284 115 HA SER 18 HA SER 18 -4.266 -0.433 3.351 116 1HB SER 18 2HB SER 18 -6.065 -0.665 1.564 117 2HB SER 18 1HB SER 18 -6.371 0.563 2.792 118 HG SER 18 HG SER 18 -5.910 2.137 1.357 119 H PHE 19 H PHE 19 -3.976 -2.340 2.047 120 HA PHE 19 HA PHE 19 -2.532 -1.997 -0.473 121 1HB PHE 19 2HB PHE 19 -1.398 -3.821 1.641 122 2HB PHE 19 1HB PHE 19 -0.676 -3.365 0.115 123 HD1 PHE 19 1HD PHE 19 0.824 -1.609 -0.015 124 HD2 PHE 19 2HD PHE 19 -1.635 -1.982 3.435 125 HE1 PHE 19 1HE PHE 19 2.125 0.154 1.099 126 HE2 PHE 19 2HE PHE 19 -0.346 -0.212 4.552 127 HZ PHE 19 HZ PHE 19 1.539 0.859 3.384 128 H TYR 20 H TYR 20 -2.193 -4.188 -1.516 129 HA TYR 20 HA TYR 20 -4.660 -5.720 -1.222 130 1HB TYR 20 2HB TYR 20 -2.476 -5.891 -3.316 131 2HB TYR 20 1HB TYR 20 -3.946 -6.853 -3.322 132 HD1 TYR 20 1HD TYR 20 -2.537 -3.503 -3.850 133 HD2 TYR 20 2HD TYR 20 -6.057 -5.888 -3.986 134 HE1 TYR 20 1HE TYR 20 -3.668 -1.748 -5.147 135 HE2 TYR 20 2HE TYR 20 -7.199 -4.138 -5.282 136 HH TYR 20 HH TYR 20 -5.579 -1.071 -6.053 137 H GLY 21 H GLY 21 -2.288 -7.617 -2.587 138 1HA GLY 21 2HA GLY 21 -2.117 -9.258 -0.176 139 2HA GLY 21 1HA GLY 21 -1.679 -9.754 -1.809 Start of MODEL 4 1 2H GLY 1 HN2 GLY 1 -7.405 -1.044 -0.144 2 1HA GLY 1 2HA GLY 1 -9.170 -1.625 1.199 3 2HA GLY 1 1HA GLY 1 -9.488 -2.926 0.063 4 H GLY 2 H GLY 2 -6.545 -2.516 1.966 5 1HA GLY 2 2HA GLY 2 -7.172 -4.151 4.126 6 2HA GLY 2 1HA GLY 2 -6.562 -5.196 2.850 7 H ALA 3 H ALA 3 -4.615 -5.772 3.659 8 HA ALA 3 HA ALA 3 -2.604 -3.663 3.843 9 1HB ALA 3 1HB ALA 3 -2.227 -5.671 5.921 10 2HB ALA 3 2HB ALA 3 -3.686 -4.707 6.148 11 3HB ALA 3 3HB ALA 3 -2.117 -3.913 6.012 12 H GLY 4 H GLY 4 -0.610 -4.296 3.132 13 1HA GLY 4 2HA GLY 4 0.399 -6.882 2.994 14 2HA GLY 4 1HA GLY 4 -0.463 -6.588 1.490 15 H HIS 5 H HIS 5 0.980 -6.176 -0.055 16 HA HIS 5 HA HIS 5 3.224 -4.382 0.604 17 1HB HIS 5 2HB HIS 5 3.095 -6.502 -1.551 18 2HB HIS 5 1HB HIS 5 4.469 -5.452 -1.226 19 HD1 HIS 5 1HD HIS 5 2.497 -8.280 0.372 20 HD2 HIS 5 2HD HIS 5 6.191 -6.369 0.690 21 HE1 HIS 5 1HE HIS 5 3.830 -9.631 2.024 22 HE2 HIS 5 2HE HIS 5 6.003 -8.386 2.297 23 H VAL 6 H VAL 6 0.853 -5.215 -1.932 24 HA VAL 6 HA VAL 6 1.593 -2.804 -3.398 25 HB VAL 6 HB VAL 6 -0.265 -3.591 -4.984 26 1HG1 VAL 6 1HG1 VAL 6 1.216 -5.152 -6.078 27 2HG1 VAL 6 2HG1 VAL 6 2.104 -5.413 -4.577 28 3HG1 VAL 6 3HG1 VAL 6 2.166 -3.842 -5.376 29 1HG2 VAL 6 1HG2 VAL 6 -0.427 -6.210 -4.726 30 2HG2 VAL 6 2HG2 VAL 6 -1.556 -5.141 -3.893 31 3HG2 VAL 6 3HG2 VAL 6 -0.187 -5.830 -3.020 32 HA PRO 7 HA PRO 7 -1.386 -0.446 -1.084 33 1HB PRO 7 2HB PRO 7 -0.805 1.583 -3.146 34 2HB PRO 7 1HB PRO 7 -0.637 1.677 -1.391 35 1HG PRO 7 2HG PRO 7 1.505 1.493 -2.979 36 2HG PRO 7 1HG PRO 7 1.450 0.680 -1.403 37 1HD PRO 7 2HD PRO 7 1.062 -0.465 -4.143 38 2HD PRO 7 1HD PRO 7 1.936 -1.141 -2.751 39 H GLU 8 H GLU 8 -3.489 -0.055 -1.219 40 HA GLU 8 HA GLU 8 -4.872 -0.600 -3.731 41 1HB GLU 8 2HB GLU 8 -5.803 -0.328 -0.873 42 2HB GLU 8 1HB GLU 8 -6.928 -0.418 -2.220 43 1HG GLU 8 2HG GLU 8 -5.974 -2.608 -2.824 44 2HG GLU 8 1HG GLU 8 -4.936 -2.515 -1.402 45 H TYR 9 H TYR 9 -5.547 1.688 -1.095 46 HA TYR 9 HA TYR 9 -6.077 3.746 -3.135 47 1HB TYR 9 2HB TYR 9 -7.229 3.531 -0.346 48 2HB TYR 9 1HB TYR 9 -7.585 4.803 -1.504 49 HD1 TYR 9 1HD TYR 9 -9.375 4.577 -2.977 50 HD2 TYR 9 2HD TYR 9 -7.856 1.114 -1.026 51 HE1 TYR 9 1HE TYR 9 -11.260 3.261 -3.853 52 HE2 TYR 9 2HE TYR 9 -9.732 -0.210 -1.902 53 HH TYR 9 HH TYR 9 -11.607 0.667 -4.377 54 H PHE 10 H PHE 10 -5.156 5.718 -2.941 55 HA PHE 10 HA PHE 10 -3.152 6.020 -0.811 56 1HB PHE 10 2HB PHE 10 -3.162 7.396 -3.498 57 2HB PHE 10 1HB PHE 10 -1.888 7.450 -2.297 58 HD1 PHE 10 1HD PHE 10 -0.054 6.127 -2.603 59 HD2 PHE 10 2HD PHE 10 -3.747 4.937 -4.352 60 HE1 PHE 10 1HE PHE 10 1.080 4.251 -3.715 61 HE2 PHE 10 2HE PHE 10 -2.619 3.053 -5.460 62 HZ PHE 10 HZ PHE 10 -0.203 2.709 -5.143 63 H VAL 11 H VAL 11 -3.011 7.919 0.282 64 HA VAL 11 HA VAL 11 -5.391 9.586 0.282 65 HB VAL 11 HB VAL 11 -2.931 9.763 2.046 66 1HG1 VAL 11 1HG1 VAL 11 -4.537 11.772 1.801 67 2HG1 VAL 11 2HG1 VAL 11 -4.087 11.237 3.420 68 3HG1 VAL 11 3HG1 VAL 11 -5.656 10.789 2.747 69 1HG2 VAL 11 1HG2 VAL 11 -3.853 8.300 3.533 70 2HG2 VAL 11 2HG2 VAL 11 -4.474 7.621 2.028 71 3HG2 VAL 11 3HG2 VAL 11 -5.505 8.649 3.024 72 H GLY 12 H GLY 12 -5.305 11.873 -0.007 73 1HA GLY 12 2HA GLY 12 -3.882 12.788 -2.187 74 2HA GLY 12 1HA GLY 12 -4.639 13.830 -1.000 75 H ILE 13 H ILE 13 -2.830 12.632 1.098 76 HA ILE 13 HA ILE 13 -0.670 14.513 0.740 77 HB ILE 13 HB ILE 13 -0.861 12.595 3.048 78 1HG1 ILE 13 2HG1 ILE 13 -2.386 15.199 2.783 79 2HG1 ILE 13 1HG1 ILE 13 -3.112 13.599 2.684 80 1HG2 ILE 13 1HG2 ILE 13 0.600 15.034 2.400 81 2HG2 ILE 13 2HG2 ILE 13 0.941 13.800 3.611 82 3HG2 ILE 13 3HG2 ILE 13 -0.191 15.101 3.974 83 1HD1 ILE 13 1HD1 ILE 13 -2.131 15.101 5.035 84 2HD1 ILE 13 2HD1 ILE 13 -1.942 13.347 5.051 85 3HD1 ILE 13 3HD1 ILE 13 -3.544 14.060 4.856 86 H GLY 14 H GLY 14 -0.743 12.290 -1.068 87 1HA GLY 14 2HA GLY 14 0.617 10.721 -2.038 88 2HA GLY 14 1HA GLY 14 1.918 11.651 -1.325 89 H THR 15 H THR 15 -0.573 9.553 0.165 90 HA THR 15 HA THR 15 1.490 7.640 0.865 91 HB THR 15 HB THR 15 1.724 9.216 2.687 92 HG1 THR 15 1HG THR 15 1.897 7.583 4.000 93 1HG2 THR 15 1HG2 THR 15 -0.194 10.445 2.951 94 2HG2 THR 15 2HG2 THR 15 -0.372 9.309 4.288 95 3HG2 THR 15 3HG2 THR 15 -1.249 9.042 2.783 96 HA PRO 16 HA PRO 16 -2.149 5.121 0.369 97 1HB PRO 16 2HB PRO 16 -0.920 2.741 0.322 98 2HB PRO 16 1HB PRO 16 -0.767 3.890 -1.011 99 1HG PRO 16 2HG PRO 16 1.178 3.205 1.130 100 2HG PRO 16 1HG PRO 16 1.474 3.663 -0.554 101 1HD PRO 16 2HD PRO 16 1.667 5.346 1.687 102 2HD PRO 16 1HD PRO 16 1.632 5.858 -0.009 103 H ILE 17 H ILE 17 -3.578 4.397 1.842 104 HA ILE 17 HA ILE 17 -2.523 3.408 4.408 105 HB ILE 17 HB ILE 17 -4.690 4.124 5.421 106 1HG1 ILE 17 2HG1 ILE 17 -5.072 5.638 2.828 107 2HG1 ILE 17 1HG1 ILE 17 -5.957 4.178 3.260 108 1HG2 ILE 17 1HG2 ILE 17 -3.755 6.071 6.014 109 2HG2 ILE 17 2HG2 ILE 17 -3.670 6.650 4.351 110 3HG2 ILE 17 3HG2 ILE 17 -2.426 5.566 4.971 111 1HD1 ILE 17 1HD1 ILE 17 -7.023 6.507 3.650 112 2HD1 ILE 17 2HD1 ILE 17 -6.001 6.534 5.087 113 3HD1 ILE 17 3HD1 ILE 17 -7.193 5.252 4.877 114 H SER 18 H SER 18 -2.901 1.796 2.148 115 HA SER 18 HA SER 18 -4.284 -0.376 3.258 116 1HB SER 18 2HB SER 18 -6.113 -0.544 1.515 117 2HB SER 18 1HB SER 18 -6.344 0.726 2.712 118 HG SER 18 HG SER 18 -5.489 2.205 1.167 119 H PHE 19 H PHE 19 -3.983 -2.275 2.063 120 HA PHE 19 HA PHE 19 -2.625 -2.054 -0.523 121 1HB PHE 19 2HB PHE 19 -1.513 -3.846 1.634 122 2HB PHE 19 1HB PHE 19 -0.801 -3.465 0.078 123 HD1 PHE 19 1HD PHE 19 -1.576 -2.073 3.419 124 HD2 PHE 19 2HD PHE 19 0.628 -1.623 -0.194 125 HE1 PHE 19 1HE PHE 19 -0.249 -0.280 4.456 126 HE2 PHE 19 2HE PHE 19 1.959 0.170 0.837 127 HZ PHE 19 HZ PHE 19 1.521 0.843 3.164 128 H TYR 20 H TYR 20 -2.302 -4.404 -1.414 129 HA TYR 20 HA TYR 20 -4.876 -5.763 -1.029 130 1HB TYR 20 2HB TYR 20 -2.754 -6.147 -3.151 131 2HB TYR 20 1HB TYR 20 -4.258 -7.047 -3.071 132 HD1 TYR 20 1HD TYR 20 -2.761 -3.752 -3.749 133 HD2 TYR 20 2HD TYR 20 -6.317 -6.083 -3.827 134 HE1 TYR 20 1HE TYR 20 -3.848 -2.035 -5.133 135 HE2 TYR 20 2HE TYR 20 -7.416 -4.371 -5.210 136 HH TYR 20 HH TYR 20 -5.707 -1.398 -6.152 137 H GLY 21 H GLY 21 -1.483 -6.618 -1.418 138 1HA GLY 21 2HA GLY 21 -1.410 -8.362 0.812 139 2HA GLY 21 1HA GLY 21 -1.560 -9.271 -0.692 Start of MODEL 5 1 2H GLY 1 HN2 GLY 1 -7.123 -0.741 -0.192 2 1HA GLY 1 2HA GLY 1 -9.190 -1.368 0.683 3 2HA GLY 1 1HA GLY 1 -8.834 -3.036 0.268 4 H GLY 2 H GLY 2 -6.432 -3.412 1.632 5 1HA GLY 2 2HA GLY 2 -6.990 -2.706 4.419 6 2HA GLY 2 1HA GLY 2 -6.987 -4.412 4.000 7 H ALA 3 H ALA 3 -5.152 -5.412 4.396 8 HA ALA 3 HA ALA 3 -2.649 -3.864 4.266 9 1HB ALA 3 1HB ALA 3 -3.691 -5.039 6.507 10 2HB ALA 3 2HB ALA 3 -1.988 -4.653 6.258 11 3HB ALA 3 3HB ALA 3 -2.585 -6.278 5.918 12 H GLY 4 H GLY 4 -0.871 -4.827 3.318 13 1HA GLY 4 2HA GLY 4 -0.687 -7.513 2.523 14 2HA GLY 4 1HA GLY 4 -1.339 -6.575 1.184 15 H HIS 5 H HIS 5 0.287 -6.328 -0.241 16 HA HIS 5 HA HIS 5 2.840 -5.297 0.835 17 1HB HIS 5 2HB HIS 5 2.747 -6.855 -1.732 18 2HB HIS 5 1HB HIS 5 4.118 -6.548 -0.675 19 HD1 HIS 5 1HD HIS 5 3.103 -7.660 1.972 20 HD2 HIS 5 2HD HIS 5 2.471 -9.516 -1.683 21 HE1 HIS 5 1HE HIS 5 2.682 -10.079 2.510 22 HE2 HIS 5 2HE HIS 5 1.933 -11.057 0.311 23 H VAL 6 H VAL 6 0.761 -5.444 -2.046 24 HA VAL 6 HA VAL 6 2.003 -3.030 -3.102 25 HB VAL 6 HB VAL 6 -0.257 -4.669 -4.268 26 1HG1 VAL 6 1HG1 VAL 6 0.657 -2.134 -4.968 27 2HG1 VAL 6 2HG1 VAL 6 -0.359 -3.201 -5.939 28 3HG1 VAL 6 3HG1 VAL 6 1.394 -3.222 -6.145 29 1HG2 VAL 6 1HG2 VAL 6 1.629 -5.443 -5.827 30 2HG2 VAL 6 2HG2 VAL 6 1.550 -6.146 -4.212 31 3HG2 VAL 6 3HG2 VAL 6 2.720 -4.875 -4.564 32 HA PRO 7 HA PRO 7 -0.929 -0.364 -1.097 33 1HB PRO 7 2HB PRO 7 -0.623 1.783 -2.798 34 2HB PRO 7 1HB PRO 7 0.450 1.406 -1.445 35 1HG PRO 7 2HG PRO 7 0.780 0.797 -4.354 36 2HG PRO 7 1HG PRO 7 1.986 1.363 -3.183 37 1HD PRO 7 2HD PRO 7 1.871 -1.204 -3.936 38 2HD PRO 7 1HD PRO 7 2.267 -0.750 -2.266 39 H GLU 8 H GLU 8 -3.033 0.012 -1.244 40 HA GLU 8 HA GLU 8 -4.426 -0.692 -3.701 41 1HB GLU 8 2HB GLU 8 -5.475 0.011 -0.953 42 2HB GLU 8 1HB GLU 8 -6.472 -0.493 -2.308 43 1HG GLU 8 2HG GLU 8 -5.207 -2.638 -2.337 44 2HG GLU 8 1HG GLU 8 -4.414 -2.121 -0.851 45 H TYR 9 H TYR 9 -5.113 1.850 -1.309 46 HA TYR 9 HA TYR 9 -5.381 3.752 -3.543 47 1HB TYR 9 2HB TYR 9 -7.128 3.544 -1.085 48 2HB TYR 9 1HB TYR 9 -7.203 4.857 -2.250 49 HD1 TYR 9 1HD TYR 9 -8.606 4.696 -4.101 50 HD2 TYR 9 2HD TYR 9 -7.586 1.156 -1.975 51 HE1 TYR 9 1HE TYR 9 -10.240 3.432 -5.432 52 HE2 TYR 9 2HE TYR 9 -9.213 -0.120 -3.304 53 HH TYR 9 HH TYR 9 -10.853 1.289 -6.047 54 H PHE 10 H PHE 10 -4.680 5.804 -3.231 55 HA PHE 10 HA PHE 10 -3.028 6.266 -0.847 56 1HB PHE 10 2HB PHE 10 -2.930 7.676 -3.520 57 2HB PHE 10 1HB PHE 10 -1.854 7.968 -2.169 58 HD1 PHE 10 1HD PHE 10 -2.997 4.957 -4.095 59 HD2 PHE 10 2HD PHE 10 0.249 7.176 -2.469 60 HE1 PHE 10 1HE PHE 10 -1.420 3.291 -4.979 61 HE2 PHE 10 2HE PHE 10 1.831 5.513 -3.349 62 HZ PHE 10 HZ PHE 10 0.998 3.568 -4.608 63 H VAL 11 H VAL 11 -3.183 8.245 0.245 64 HA VAL 11 HA VAL 11 -5.791 9.527 -0.054 65 HB VAL 11 HB VAL 11 -5.335 10.621 2.097 66 1HG1 VAL 11 1HG1 VAL 11 -6.019 8.028 1.666 67 2HG1 VAL 11 2HG1 VAL 11 -6.069 8.835 3.234 68 3HG1 VAL 11 3HG1 VAL 11 -4.672 7.853 2.792 69 1HG2 VAL 11 1HG2 VAL 11 -2.656 9.381 1.717 70 2HG2 VAL 11 2HG2 VAL 11 -3.294 9.527 3.354 71 3HG2 VAL 11 3HG2 VAL 11 -3.086 10.966 2.357 72 H GLY 12 H GLY 12 -5.623 12.003 0.639 73 1HA GLY 12 2HA GLY 12 -4.541 13.352 -1.553 74 2HA GLY 12 1HA GLY 12 -5.114 14.116 -0.083 75 H ILE 13 H ILE 13 -3.089 12.568 1.490 76 HA ILE 13 HA ILE 13 -0.947 14.484 1.179 77 HB ILE 13 HB ILE 13 -0.955 12.227 3.176 78 1HG1 ILE 13 2HG1 ILE 13 -3.156 13.343 3.299 79 2HG1 ILE 13 1HG1 ILE 13 -2.187 13.653 4.735 80 1HG2 ILE 13 1HG2 ILE 13 1.041 13.780 2.812 81 2HG2 ILE 13 2HG2 ILE 13 0.459 13.587 4.465 82 3HG2 ILE 13 3HG2 ILE 13 0.046 15.036 3.549 83 1HD1 ILE 13 1HD1 ILE 13 -3.520 15.577 3.617 84 2HD1 ILE 13 2HD1 ILE 13 -2.165 15.614 2.488 85 3HD1 ILE 13 3HD1 ILE 13 -1.886 15.872 4.211 86 H GLY 14 H GLY 14 -1.314 12.539 -0.912 87 1HA GLY 14 2HA GLY 14 -0.166 11.034 -2.219 88 2HA GLY 14 1HA GLY 14 1.226 11.965 -1.700 89 H THR 15 H THR 15 -0.847 9.780 0.185 90 HA THR 15 HA THR 15 1.371 7.890 0.388 91 HB THR 15 HB THR 15 0.586 7.871 2.972 92 HG1 THR 15 1HG THR 15 0.610 10.636 2.297 93 1HG2 THR 15 1HG2 THR 15 2.586 9.472 3.336 94 2HG2 THR 15 2HG2 THR 15 2.751 9.410 1.580 95 3HG2 THR 15 3HG2 THR 15 2.872 7.929 2.532 96 HA PRO 16 HA PRO 16 -2.116 5.159 0.204 97 1HB PRO 16 2HB PRO 16 -0.771 2.839 0.149 98 2HB PRO 16 1HB PRO 16 -0.764 3.955 -1.219 99 1HG PRO 16 2HG PRO 16 1.344 3.430 0.810 100 2HG PRO 16 1HG PRO 16 1.511 3.861 -0.899 101 1HD PRO 16 2HD PRO 16 1.754 5.606 1.288 102 2HD PRO 16 1HD PRO 16 1.579 6.074 -0.413 103 H ILE 17 H ILE 17 -3.418 4.544 1.803 104 HA ILE 17 HA ILE 17 -2.200 3.519 4.282 105 HB ILE 17 HB ILE 17 -4.903 4.871 4.137 106 1HG1 ILE 17 2HG1 ILE 17 -2.213 6.065 4.857 107 2HG1 ILE 17 1HG1 ILE 17 -3.215 6.508 3.479 108 1HG2 ILE 17 1HG2 ILE 17 -3.195 4.689 6.578 109 2HG2 ILE 17 2HG2 ILE 17 -4.089 3.263 6.053 110 3HG2 ILE 17 3HG2 ILE 17 -4.952 4.752 6.438 111 1HD1 ILE 17 1HD1 ILE 17 -4.272 8.014 4.699 112 2HD1 ILE 17 2HD1 ILE 17 -3.204 7.633 6.049 113 3HD1 ILE 17 3HD1 ILE 17 -4.739 6.785 5.875 114 H SER 18 H SER 18 -2.658 1.951 2.098 115 HA SER 18 HA SER 18 -4.167 -0.165 3.184 116 1HB SER 18 2HB SER 18 -5.837 -0.317 1.287 117 2HB SER 18 1HB SER 18 -6.140 0.964 2.456 118 HG SER 18 HG SER 18 -5.163 2.426 0.984 119 H PHE 19 H PHE 19 -3.732 -2.079 2.151 120 HA PHE 19 HA PHE 19 -2.283 -2.064 -0.383 121 1HB PHE 19 2HB PHE 19 -1.123 -3.466 2.033 122 2HB PHE 19 1HB PHE 19 -0.406 -3.330 0.443 123 HD1 PHE 19 1HD PHE 19 0.923 -1.471 -0.150 124 HD2 PHE 19 2HD PHE 19 -1.238 -1.461 3.516 125 HE1 PHE 19 1HE PHE 19 2.190 0.504 0.589 126 HE2 PHE 19 2HE PHE 19 0.018 0.520 4.256 127 HZ PHE 19 HZ PHE 19 1.736 1.505 2.791 128 H TYR 20 H TYR 20 -1.759 -4.455 -0.944 129 HA TYR 20 HA TYR 20 -3.533 -6.398 0.228 130 1HB TYR 20 2HB TYR 20 -4.544 -7.022 -2.010 131 2HB TYR 20 1HB TYR 20 -5.173 -5.583 -1.244 132 HD1 TYR 20 1HD TYR 20 -6.003 -4.352 -3.045 133 HD2 TYR 20 2HD TYR 20 -2.061 -5.929 -3.284 134 HE1 TYR 20 1HE TYR 20 -5.631 -3.091 -5.122 135 HE2 TYR 20 2HE TYR 20 -1.679 -4.666 -5.357 136 HH TYR 20 HH TYR 20 -3.122 -2.204 -6.300 137 H GLY 21 H GLY 21 -3.410 -8.492 -0.961 138 1HA GLY 21 2HA GLY 21 -2.200 -10.212 -1.917 139 2HA GLY 21 1HA GLY 21 -1.071 -9.020 -2.543 Start of MODEL 6 1 2H GLY 1 HN2 GLY 1 -7.346 -0.872 -0.349 2 1HA GLY 1 2HA GLY 1 -9.122 -1.279 1.045 3 2HA GLY 1 1HA GLY 1 -9.468 -2.677 0.040 4 H GLY 2 H GLY 2 -6.534 -2.132 1.930 5 1HA GLY 2 2HA GLY 2 -7.197 -3.527 4.234 6 2HA GLY 2 1HA GLY 2 -6.627 -4.719 3.072 7 H ALA 3 H ALA 3 -4.690 -5.271 3.905 8 HA ALA 3 HA ALA 3 -2.620 -3.211 3.905 9 1HB ALA 3 1HB ALA 3 -2.193 -5.042 6.103 10 2HB ALA 3 2HB ALA 3 -3.705 -4.153 6.290 11 3HB ALA 3 3HB ALA 3 -2.187 -3.278 6.092 12 H GLY 4 H GLY 4 -0.641 -3.961 3.227 13 1HA GLY 4 2HA GLY 4 0.262 -6.587 3.251 14 2HA GLY 4 1HA GLY 4 -0.615 -6.367 1.745 15 H HIS 5 H HIS 5 0.886 -6.245 0.201 16 HA HIS 5 HA HIS 5 3.239 -4.529 0.658 17 1HB HIS 5 2HB HIS 5 2.874 -6.661 -1.458 18 2HB HIS 5 1HB HIS 5 4.360 -5.809 -1.067 19 HD1 HIS 5 1HD HIS 5 4.434 -8.806 -1.031 20 HD2 HIS 5 2HD HIS 5 3.421 -6.568 2.316 21 HE1 HIS 5 1HE HIS 5 4.905 -10.292 0.936 22 HE2 HIS 5 2HE HIS 5 4.036 -9.003 2.916 23 H VAL 6 H VAL 6 0.820 -5.397 -1.825 24 HA VAL 6 HA VAL 6 1.618 -3.086 -3.409 25 HB VAL 6 HB VAL 6 -0.237 -3.923 -4.968 26 1HG1 VAL 6 1HG1 VAL 6 2.440 -4.659 -4.626 27 2HG1 VAL 6 2HG1 VAL 6 1.466 -4.808 -6.090 28 3HG1 VAL 6 3HG1 VAL 6 1.574 -6.158 -4.960 29 1HG2 VAL 6 1HG2 VAL 6 -0.165 -6.122 -2.933 30 2HG2 VAL 6 2HG2 VAL 6 -0.574 -6.462 -4.614 31 3HG2 VAL 6 3HG2 VAL 6 -1.559 -5.339 -3.676 32 HA PRO 7 HA PRO 7 -1.324 -0.480 -1.350 33 1HB PRO 7 2HB PRO 7 -0.739 1.332 -3.603 34 2HB PRO 7 1HB PRO 7 -0.539 1.588 -1.868 35 1HG PRO 7 2HG PRO 7 1.570 1.219 -3.474 36 2HG PRO 7 1HG PRO 7 1.537 0.573 -1.822 37 1HD PRO 7 2HD PRO 7 1.087 -0.844 -4.420 38 2HD PRO 7 1HD PRO 7 1.973 -1.383 -2.978 39 H GLU 8 H GLU 8 -3.425 -0.096 -1.509 40 HA GLU 8 HA GLU 8 -4.826 -0.816 -3.969 41 1HB GLU 8 2HB GLU 8 -5.773 -0.253 -1.155 42 2HB GLU 8 1HB GLU 8 -6.874 -0.502 -2.499 43 1HG GLU 8 2HG GLU 8 -5.914 -2.745 -2.827 44 2HG GLU 8 1HG GLU 8 -4.896 -2.485 -1.410 45 H TYR 9 H TYR 9 -5.312 1.694 -1.503 46 HA TYR 9 HA TYR 9 -5.597 3.683 -3.651 47 1HB TYR 9 2HB TYR 9 -7.324 3.452 -1.178 48 2HB TYR 9 1HB TYR 9 -7.374 4.790 -2.314 49 HD1 TYR 9 1HD TYR 9 -8.742 4.694 -4.210 50 HD2 TYR 9 2HD TYR 9 -7.932 1.119 -2.048 51 HE1 TYR 9 1HE TYR 9 -10.432 3.509 -5.545 52 HE2 TYR 9 2HE TYR 9 -9.616 -0.076 -3.382 53 HH TYR 9 HH TYR 9 -10.629 0.386 -5.908 54 H PHE 10 H PHE 10 -4.769 5.685 -3.230 55 HA PHE 10 HA PHE 10 -3.002 5.846 -0.906 56 1HB PHE 10 2HB PHE 10 -3.079 7.520 -3.419 57 2HB PHE 10 1HB PHE 10 -1.946 7.747 -2.103 58 HD1 PHE 10 1HD PHE 10 -3.117 4.814 -4.125 59 HD2 PHE 10 2HD PHE 10 0.161 7.053 -2.592 60 HE1 PHE 10 1HE PHE 10 -1.553 3.236 -5.177 61 HE2 PHE 10 2HE PHE 10 1.730 5.478 -3.642 62 HZ PHE 10 HZ PHE 10 0.875 3.567 -4.936 63 H VAL 11 H VAL 11 -2.941 7.673 0.398 64 HA VAL 11 HA VAL 11 -5.513 9.003 0.686 65 HB VAL 11 HB VAL 11 -4.255 7.978 2.645 66 1HG1 VAL 11 1HG1 VAL 11 -2.698 10.302 3.254 67 2HG1 VAL 11 2HG1 VAL 11 -2.180 9.605 1.719 68 3HG1 VAL 11 3HG1 VAL 11 -2.206 8.610 3.175 69 1HG2 VAL 11 1HG2 VAL 11 -4.966 9.658 4.206 70 2HG2 VAL 11 2HG2 VAL 11 -6.128 9.577 2.881 71 3HG2 VAL 11 3HG2 VAL 11 -4.953 10.891 2.945 72 H GLY 12 H GLY 12 -5.454 11.388 1.198 73 1HA GLY 12 2HA GLY 12 -4.498 12.844 -0.957 74 2HA GLY 12 1HA GLY 12 -5.024 13.546 0.559 75 H ILE 13 H ILE 13 -2.820 11.999 1.941 76 HA ILE 13 HA ILE 13 -0.809 14.047 1.647 77 HB ILE 13 HB ILE 13 -0.501 11.640 3.423 78 1HG1 ILE 13 2HG1 ILE 13 -2.114 14.122 4.076 79 2HG1 ILE 13 1HG1 ILE 13 -2.805 12.540 3.728 80 1HG2 ILE 13 1HG2 ILE 13 1.328 13.342 3.139 81 2HG2 ILE 13 2HG2 ILE 13 0.779 13.112 4.799 82 3HG2 ILE 13 3HG2 ILE 13 0.253 14.523 3.883 83 1HD1 ILE 13 1HD1 ILE 13 -0.797 12.680 5.892 84 2HD1 ILE 13 2HD1 ILE 13 -2.263 11.709 5.759 85 3HD1 ILE 13 3HD1 ILE 13 -2.372 13.414 6.196 86 H GLY 14 H GLY 14 -1.170 12.314 -0.605 87 1HA GLY 14 2HA GLY 14 -0.009 11.038 -2.125 88 2HA GLY 14 1HA GLY 14 1.368 11.950 -1.538 89 H THR 15 H THR 15 -0.558 9.472 0.132 90 HA THR 15 HA THR 15 1.685 7.615 -0.016 91 HB THR 15 HB THR 15 1.135 7.320 2.609 92 HG1 THR 15 1HG THR 15 1.056 10.141 2.215 93 1HG2 THR 15 1HG2 THR 15 3.264 8.099 3.001 94 2HG2 THR 15 2HG2 THR 15 3.083 9.467 1.903 95 3HG2 THR 15 3HG2 THR 15 3.332 7.846 1.257 96 HA PRO 16 HA PRO 16 -1.670 4.752 -0.397 97 1HB PRO 16 2HB PRO 16 -0.357 2.459 0.313 98 2HB PRO 16 1HB PRO 16 -0.204 3.224 -1.271 99 1HG PRO 16 2HG PRO 16 1.624 3.369 1.090 100 2HG PRO 16 1HG PRO 16 2.025 3.222 -0.632 101 1HD PRO 16 2HD PRO 16 2.189 5.569 0.701 102 2HD PRO 16 1HD PRO 16 1.752 5.479 -1.016 103 H ILE 17 H ILE 17 -3.297 4.448 0.994 104 HA ILE 17 HA ILE 17 -2.623 3.921 3.810 105 HB ILE 17 HB ILE 17 -3.712 6.127 3.361 106 1HG1 ILE 17 2HG1 ILE 17 -5.446 5.932 5.135 107 2HG1 ILE 17 1HG1 ILE 17 -5.301 4.180 5.046 108 1HG2 ILE 17 1HG2 ILE 17 -5.136 5.556 1.518 109 2HG2 ILE 17 2HG2 ILE 17 -6.129 6.158 2.844 110 3HG2 ILE 17 3HG2 ILE 17 -6.049 4.427 2.519 111 1HD1 ILE 17 1HD1 ILE 17 -2.873 5.822 5.573 112 2HD1 ILE 17 2HD1 ILE 17 -3.241 4.166 6.057 113 3HD1 ILE 17 3HD1 ILE 17 -4.025 5.519 6.873 114 H SER 18 H SER 18 -2.858 2.012 1.723 115 HA SER 18 HA SER 18 -4.291 -0.011 2.982 116 1HB SER 18 2HB SER 18 -6.107 -0.353 1.255 117 2HB SER 18 1HB SER 18 -6.346 1.036 2.311 118 HG SER 18 HG SER 18 -5.494 2.351 0.632 119 H PHE 19 H PHE 19 -3.990 -2.023 1.964 120 HA PHE 19 HA PHE 19 -2.624 -2.051 -0.624 121 1HB PHE 19 2HB PHE 19 -1.491 -3.616 1.690 122 2HB PHE 19 1HB PHE 19 -0.786 -3.375 0.105 123 HD1 PHE 19 1HD PHE 19 -1.577 -1.672 3.297 124 HD2 PHE 19 2HD PHE 19 0.645 -1.572 -0.331 125 HE1 PHE 19 1HE PHE 19 -0.257 0.214 4.163 126 HE2 PHE 19 2HE PHE 19 1.968 0.315 0.528 127 HZ PHE 19 HZ PHE 19 1.518 1.211 2.777 128 H TYR 20 H TYR 20 -2.285 -4.477 -1.277 129 HA TYR 20 HA TYR 20 -4.842 -5.812 -0.729 130 1HB TYR 20 2HB TYR 20 -2.753 -6.385 -2.841 131 2HB TYR 20 1HB TYR 20 -4.259 -7.271 -2.655 132 HD1 TYR 20 1HD TYR 20 -2.770 -4.049 -3.649 133 HD2 TYR 20 2HD TYR 20 -6.326 -6.377 -3.467 134 HE1 TYR 20 1HE TYR 20 -3.880 -2.463 -5.165 135 HE2 TYR 20 2HE TYR 20 -7.446 -4.796 -4.982 136 HH TYR 20 HH TYR 20 -5.732 -1.960 -6.267 137 H GLY 21 H GLY 21 -1.455 -6.730 -1.119 138 1HA GLY 21 2HA GLY 21 -1.299 -8.213 1.280 139 2HA GLY 21 1HA GLY 21 -1.576 -9.294 -0.086 Start of MODEL 7 1 2H GLY 1 HN2 GLY 1 -7.358 -0.993 -0.124 2 1HA GLY 1 2HA GLY 1 -9.116 -1.550 1.241 3 2HA GLY 1 1HA GLY 1 -9.477 -2.828 0.093 4 H GLY 2 H GLY 2 -6.515 -2.501 1.986 5 1HA GLY 2 2HA GLY 2 -7.171 -4.167 4.119 6 2HA GLY 2 1HA GLY 2 -6.563 -5.193 2.826 7 H ALA 3 H ALA 3 -4.624 -5.799 3.637 8 HA ALA 3 HA ALA 3 -2.597 -3.712 3.865 9 1HB ALA 3 1HB ALA 3 -2.981 -3.871 6.136 10 2HB ALA 3 2HB ALA 3 -1.706 -5.068 5.910 11 3HB ALA 3 3HB ALA 3 -3.387 -5.585 6.057 12 H GLY 4 H GLY 4 -0.610 -4.350 3.148 13 1HA GLY 4 2HA GLY 4 0.389 -6.939 2.986 14 2HA GLY 4 1HA GLY 4 -0.473 -6.631 1.485 15 H HIS 5 H HIS 5 0.979 -6.222 -0.053 16 HA HIS 5 HA HIS 5 3.223 -4.432 0.616 17 1HB HIS 5 2HB HIS 5 3.097 -6.542 -1.548 18 2HB HIS 5 1HB HIS 5 4.472 -5.497 -1.213 19 HD1 HIS 5 1HD HIS 5 2.491 -8.330 0.364 20 HD2 HIS 5 2HD HIS 5 6.186 -6.424 0.705 21 HE1 HIS 5 1HE HIS 5 3.815 -9.692 2.014 22 HE2 HIS 5 2HE HIS 5 5.990 -8.452 2.300 23 H VAL 6 H VAL 6 0.855 -5.256 -1.924 24 HA VAL 6 HA VAL 6 1.598 -2.841 -3.384 25 HB VAL 6 HB VAL 6 -0.257 -3.623 -4.974 26 1HG1 VAL 6 1HG1 VAL 6 1.296 -5.637 -5.687 27 2HG1 VAL 6 2HG1 VAL 6 2.361 -4.939 -4.465 28 3HG1 VAL 6 3HG1 VAL 6 1.834 -3.964 -5.837 29 1HG2 VAL 6 1HG2 VAL 6 -1.553 -5.155 -3.841 30 2HG2 VAL 6 2HG2 VAL 6 -0.169 -5.890 -3.033 31 3HG2 VAL 6 3HG2 VAL 6 -0.473 -6.222 -4.739 32 HA PRO 7 HA PRO 7 -1.387 -0.496 -1.064 33 1HB PRO 7 2HB PRO 7 -0.776 1.561 -3.086 34 2HB PRO 7 1HB PRO 7 -0.612 1.622 -1.329 35 1HG PRO 7 2HG PRO 7 1.532 1.449 -2.919 36 2HG PRO 7 1HG PRO 7 1.469 0.616 -1.354 37 1HD PRO 7 2HD PRO 7 1.079 -0.493 -4.109 38 2HD PRO 7 1HD PRO 7 1.947 -1.188 -2.725 39 H GLU 8 H GLU 8 -3.482 -0.061 -1.219 40 HA GLU 8 HA GLU 8 -4.846 -0.585 -3.745 41 1HB GLU 8 2HB GLU 8 -5.818 -0.278 -0.904 42 2HB GLU 8 1HB GLU 8 -6.914 -0.403 -2.271 43 1HG GLU 8 2HG GLU 8 -5.950 -2.601 -2.806 44 2HG GLU 8 1HG GLU 8 -4.923 -2.471 -1.379 45 H TYR 9 H TYR 9 -5.472 1.722 -1.110 46 HA TYR 9 HA TYR 9 -5.946 3.791 -3.154 47 1HB TYR 9 2HB TYR 9 -7.239 3.503 -0.435 48 2HB TYR 9 1HB TYR 9 -7.495 4.850 -1.535 49 HD1 TYR 9 1HD TYR 9 -9.227 4.769 -3.083 50 HD2 TYR 9 2HD TYR 9 -7.866 1.143 -1.322 51 HE1 TYR 9 1HE TYR 9 -11.090 3.561 -4.140 52 HE2 TYR 9 2HE TYR 9 -9.723 -0.074 -2.379 53 HH TYR 9 HH TYR 9 -11.292 0.696 -4.788 54 H PHE 10 H PHE 10 -5.092 5.795 -2.864 55 HA PHE 10 HA PHE 10 -3.150 6.069 -0.669 56 1HB PHE 10 2HB PHE 10 -3.060 7.455 -3.352 57 2HB PHE 10 1HB PHE 10 -1.837 7.524 -2.097 58 HD1 PHE 10 1HD PHE 10 -3.588 4.968 -4.200 59 HD2 PHE 10 2HD PHE 10 0.031 6.248 -2.362 60 HE1 PHE 10 1HE PHE 10 -2.392 3.099 -5.261 61 HE2 PHE 10 2HE PHE 10 1.232 4.380 -3.418 62 HZ PHE 10 HZ PHE 10 0.021 2.804 -4.872 63 H VAL 11 H VAL 11 -3.018 7.994 0.407 64 HA VAL 11 HA VAL 11 -5.407 9.641 0.386 65 HB VAL 11 HB VAL 11 -2.916 9.928 2.092 66 1HG1 VAL 11 1HG1 VAL 11 -4.637 11.035 3.647 67 2HG1 VAL 11 2HG1 VAL 11 -5.642 11.173 2.205 68 3HG1 VAL 11 3HG1 VAL 11 -4.060 11.954 2.256 69 1HG2 VAL 11 1HG2 VAL 11 -3.568 7.972 2.970 70 2HG2 VAL 11 2HG2 VAL 11 -5.179 8.075 2.259 71 3HG2 VAL 11 3HG2 VAL 11 -4.819 8.937 3.756 72 H GLY 12 H GLY 12 -5.326 11.948 0.074 73 1HA GLY 12 2HA GLY 12 -3.955 12.810 -2.171 74 2HA GLY 12 1HA GLY 12 -4.687 13.877 -0.988 75 H ILE 13 H ILE 13 -2.832 12.689 1.087 76 HA ILE 13 HA ILE 13 -0.675 14.563 0.662 77 HB ILE 13 HB ILE 13 -0.831 12.684 3.005 78 1HG1 ILE 13 2HG1 ILE 13 -2.353 15.289 2.725 79 2HG1 ILE 13 1HG1 ILE 13 -3.085 13.689 2.664 80 1HG2 ILE 13 1HG2 ILE 13 0.002 15.576 2.926 81 2HG2 ILE 13 2HG2 ILE 13 1.121 14.256 2.588 82 3HG2 ILE 13 3HG2 ILE 13 0.347 14.372 4.167 83 1HD1 ILE 13 1HD1 ILE 13 -1.760 15.023 5.006 84 2HD1 ILE 13 2HD1 ILE 13 -2.198 13.314 4.981 85 3HD1 ILE 13 3HD1 ILE 13 -3.450 14.547 4.835 86 H GLY 14 H GLY 14 -0.802 12.295 -1.099 87 1HA GLY 14 2HA GLY 14 0.534 10.704 -2.066 88 2HA GLY 14 1HA GLY 14 1.853 11.648 -1.403 89 H THR 15 H THR 15 -0.606 9.529 0.126 90 HA THR 15 HA THR 15 1.500 7.677 0.861 91 HB THR 15 HB THR 15 1.681 9.272 2.670 92 HG1 THR 15 1HG THR 15 1.867 7.669 4.021 93 1HG2 THR 15 1HG2 THR 15 -1.237 9.230 2.549 94 2HG2 THR 15 2HG2 THR 15 -0.147 10.472 3.165 95 3HG2 THR 15 3HG2 THR 15 -0.602 9.110 4.190 96 HA PRO 16 HA PRO 16 -2.030 5.030 0.268 97 1HB PRO 16 2HB PRO 16 -0.757 2.677 0.491 98 2HB PRO 16 1HB PRO 16 -0.538 3.728 -0.914 99 1HG PRO 16 2HG PRO 16 1.246 3.315 1.444 100 2HG PRO 16 1HG PRO 16 1.673 3.532 -0.263 101 1HD PRO 16 2HD PRO 16 1.773 5.521 1.658 102 2HD PRO 16 1HD PRO 16 1.653 5.806 -0.089 103 H ILE 17 H ILE 17 -3.549 4.268 1.634 104 HA ILE 17 HA ILE 17 -2.684 3.504 4.341 105 HB ILE 17 HB ILE 17 -5.107 4.195 4.981 106 1HG1 ILE 17 2HG1 ILE 17 -5.781 6.262 3.621 107 2HG1 ILE 17 1HG1 ILE 17 -4.694 5.666 2.375 108 1HG2 ILE 17 1HG2 ILE 17 -2.610 5.590 4.878 109 2HG2 ILE 17 2HG2 ILE 17 -3.875 5.649 6.105 110 3HG2 ILE 17 3HG2 ILE 17 -3.944 6.732 4.714 111 1HD1 ILE 17 1HD1 ILE 17 -6.289 4.359 1.591 112 2HD1 ILE 17 2HD1 ILE 17 -7.392 4.998 2.810 113 3HD1 ILE 17 3HD1 ILE 17 -6.439 3.555 3.153 114 H SER 18 H SER 18 -2.931 1.772 2.120 115 HA SER 18 HA SER 18 -4.266 -0.390 3.272 116 1HB SER 18 2HB SER 18 -6.113 -0.650 1.554 117 2HB SER 18 1HB SER 18 -6.365 0.640 2.728 118 HG SER 18 HG SER 18 -5.672 2.128 1.173 119 H PHE 19 H PHE 19 -3.979 -2.315 2.074 120 HA PHE 19 HA PHE 19 -2.615 -2.091 -0.509 121 1HB PHE 19 2HB PHE 19 -1.515 -3.886 1.653 122 2HB PHE 19 1HB PHE 19 -0.797 -3.508 0.098 123 HD1 PHE 19 1HD PHE 19 -1.590 -2.098 3.430 124 HD2 PHE 19 2HD PHE 19 0.649 -1.684 -0.166 125 HE1 PHE 19 1HE PHE 19 -0.261 -0.308 4.468 126 HE2 PHE 19 2HE PHE 19 1.981 0.107 0.868 127 HZ PHE 19 HZ PHE 19 1.528 0.796 3.188 128 H TYR 20 H TYR 20 -2.296 -4.443 -1.402 129 HA TYR 20 HA TYR 20 -4.876 -5.794 -1.016 130 1HB TYR 20 2HB TYR 20 -2.765 -6.164 -3.152 131 2HB TYR 20 1HB TYR 20 -4.270 -7.067 -3.070 132 HD1 TYR 20 1HD TYR 20 -6.340 -6.091 -3.794 133 HD2 TYR 20 2HD TYR 20 -2.771 -3.775 -3.748 134 HE1 TYR 20 1HE TYR 20 -7.440 -4.380 -5.175 135 HE2 TYR 20 2HE TYR 20 -3.865 -2.053 -5.121 136 HH TYR 20 HH TYR 20 -5.732 -1.407 -6.120 137 H GLY 21 H GLY 21 -1.486 -6.654 -1.425 138 1HA GLY 21 2HA GLY 21 -1.415 -8.416 0.793 139 2HA GLY 21 1HA GLY 21 -1.562 -9.311 -0.721 Start of MODEL 8 1 2H GLY 1 HN2 GLY 1 -7.299 -0.954 -0.534 2 1HA GLY 1 2HA GLY 1 -9.173 -1.555 0.643 3 2HA GLY 1 1HA GLY 1 -9.333 -2.904 -0.468 4 H GLY 2 H GLY 2 -6.630 -2.296 1.727 5 1HA GLY 2 2HA GLY 2 -7.389 -3.856 3.878 6 2HA GLY 2 1HA GLY 2 -6.678 -4.957 2.707 7 H ALA 3 H ALA 3 -4.765 -5.473 3.585 8 HA ALA 3 HA ALA 3 -2.800 -3.338 3.881 9 1HB ALA 3 1HB ALA 3 -2.033 -4.097 6.038 10 2HB ALA 3 2HB ALA 3 -3.220 -5.401 6.045 11 3HB ALA 3 3HB ALA 3 -3.753 -3.722 6.144 12 H GLY 4 H GLY 4 -0.742 -3.980 3.309 13 1HA GLY 4 2HA GLY 4 0.279 -6.553 3.283 14 2HA GLY 4 1HA GLY 4 -0.531 -6.332 1.741 15 H HIS 5 H HIS 5 1.033 -6.091 0.279 16 HA HIS 5 HA HIS 5 3.282 -4.285 0.896 17 1HB HIS 5 2HB HIS 5 3.133 -6.371 -1.292 18 2HB HIS 5 1HB HIS 5 4.555 -5.479 -0.775 19 HD1 HIS 5 1HD HIS 5 4.705 -8.484 -0.836 20 HD2 HIS 5 2HD HIS 5 3.466 -6.373 2.518 21 HE1 HIS 5 1HE HIS 5 5.114 -10.017 1.109 22 HE2 HIS 5 2HE HIS 5 4.113 -8.811 3.078 23 H VAL 6 H VAL 6 0.957 -5.166 -1.655 24 HA VAL 6 HA VAL 6 1.779 -2.887 -3.268 25 HB VAL 6 HB VAL 6 -0.471 -4.845 -3.773 26 1HG1 VAL 6 1HG1 VAL 6 -0.205 -4.116 -6.126 27 2HG1 VAL 6 2HG1 VAL 6 0.944 -2.891 -5.584 28 3HG1 VAL 6 3HG1 VAL 6 -0.737 -2.821 -5.054 29 1HG2 VAL 6 1HG2 VAL 6 0.963 -6.313 -4.716 30 2HG2 VAL 6 2HG2 VAL 6 2.119 -5.557 -3.620 31 3HG2 VAL 6 3HG2 VAL 6 2.041 -5.048 -5.306 32 HA PRO 7 HA PRO 7 -1.163 -0.256 -1.167 33 1HB PRO 7 2HB PRO 7 -0.821 1.890 -2.833 34 2HB PRO 7 1HB PRO 7 0.260 1.488 -1.495 35 1HG PRO 7 2HG PRO 7 0.559 0.907 -4.413 36 2HG PRO 7 1HG PRO 7 1.777 1.464 -3.252 37 1HD PRO 7 2HD PRO 7 1.628 -1.105 -4.028 38 2HD PRO 7 1HD PRO 7 2.090 -0.652 -2.374 39 H GLU 8 H GLU 8 -3.260 0.129 -1.375 40 HA GLU 8 HA GLU 8 -4.566 -0.467 -3.924 41 1HB GLU 8 2HB GLU 8 -5.595 -0.222 -1.099 42 2HB GLU 8 1HB GLU 8 -6.668 -0.337 -2.483 43 1HG GLU 8 2HG GLU 8 -5.607 -2.509 -3.045 44 2HG GLU 8 1HG GLU 8 -4.688 -2.394 -1.544 45 H TYR 9 H TYR 9 -5.331 1.789 -1.284 46 HA TYR 9 HA TYR 9 -5.783 3.878 -3.314 47 1HB TYR 9 2HB TYR 9 -7.197 3.526 -0.660 48 2HB TYR 9 1HB TYR 9 -7.467 4.845 -1.791 49 HD1 TYR 9 1HD TYR 9 -7.704 1.136 -1.491 50 HD2 TYR 9 2HD TYR 9 -9.084 4.645 -3.458 51 HE1 TYR 9 1HE TYR 9 -9.447 -0.185 -2.612 52 HE2 TYR 9 2HE TYR 9 -10.832 3.334 -4.585 53 HH TYR 9 HH TYR 9 -11.012 0.677 -5.229 54 H PHE 10 H PHE 10 -5.011 5.906 -2.935 55 HA PHE 10 HA PHE 10 -3.205 6.199 -0.626 56 1HB PHE 10 2HB PHE 10 -3.027 7.843 -3.136 57 2HB PHE 10 1HB PHE 10 -1.798 7.589 -1.913 58 HD1 PHE 10 1HD PHE 10 -3.675 5.820 -4.597 59 HD2 PHE 10 2HD PHE 10 -0.164 5.970 -2.197 60 HE1 PHE 10 1HE PHE 10 -2.676 4.028 -5.954 61 HE2 PHE 10 2HE PHE 10 0.840 4.179 -3.548 62 HZ PHE 10 HZ PHE 10 -0.415 3.206 -5.430 63 H VAL 11 H VAL 11 -3.462 7.941 0.682 64 HA VAL 11 HA VAL 11 -5.271 10.101 -0.111 65 HB VAL 11 HB VAL 11 -5.675 8.607 2.487 66 1HG1 VAL 11 1HG1 VAL 11 -6.241 11.209 1.960 67 2HG1 VAL 11 2HG1 VAL 11 -7.091 10.213 3.143 68 3HG1 VAL 11 3HG1 VAL 11 -7.759 10.424 1.524 69 1HG2 VAL 11 1HG2 VAL 11 -6.505 7.683 0.075 70 2HG2 VAL 11 2HG2 VAL 11 -7.884 8.672 0.554 71 3HG2 VAL 11 3HG2 VAL 11 -7.328 7.366 1.603 72 H GLY 12 H GLY 12 -4.733 12.020 0.742 73 1HA GLY 12 2HA GLY 12 -3.897 13.363 2.571 74 2HA GLY 12 1HA GLY 12 -2.699 12.115 2.859 75 H ILE 13 H ILE 13 -1.318 11.672 0.954 76 HA ILE 13 HA ILE 13 -0.745 13.863 -0.846 77 HB ILE 13 HB ILE 13 1.728 13.840 -0.079 78 1HG1 ILE 13 2HG1 ILE 13 0.399 12.995 2.505 79 2HG1 ILE 13 1HG1 ILE 13 1.471 11.990 1.536 80 1HG2 ILE 13 1HG2 ILE 13 -0.498 15.302 1.279 81 2HG2 ILE 13 2HG2 ILE 13 0.652 15.883 0.074 82 3HG2 ILE 13 3HG2 ILE 13 1.182 15.591 1.732 83 1HD1 ILE 13 1HD1 ILE 13 3.345 13.208 2.119 84 2HD1 ILE 13 2HD1 ILE 13 2.399 13.213 3.608 85 3HD1 ILE 13 3HD1 ILE 13 2.407 14.633 2.562 86 H GLY 14 H GLY 14 -1.565 11.353 -1.434 87 1HA GLY 14 2HA GLY 14 -1.022 9.694 -2.956 88 2HA GLY 14 1HA GLY 14 0.605 10.364 -3.039 89 H THR 15 H THR 15 -0.601 9.756 0.068 90 HA THR 15 HA THR 15 1.317 7.630 0.480 91 HB THR 15 HB THR 15 0.219 7.962 2.902 92 HG1 THR 15 1HG THR 15 -1.277 9.499 2.577 93 1HG2 THR 15 1HG2 THR 15 2.481 9.048 1.485 94 2HG2 THR 15 2HG2 THR 15 2.346 8.581 3.182 95 3HG2 THR 15 3HG2 THR 15 1.888 10.207 2.674 96 HA PRO 16 HA PRO 16 -1.851 4.538 -0.049 97 1HB PRO 16 2HB PRO 16 0.089 2.728 1.215 98 2HB PRO 16 1HB PRO 16 -0.607 2.669 -0.407 99 1HG PRO 16 2HG PRO 16 1.966 3.333 0.015 100 2HG PRO 16 1HG PRO 16 1.009 4.054 -1.293 101 1HD PRO 16 2HD PRO 16 1.745 5.201 1.371 102 2HD PRO 16 1HD PRO 16 1.689 5.990 -0.220 103 H ILE 17 H ILE 17 -3.517 4.212 1.266 104 HA ILE 17 HA ILE 17 -2.975 3.813 4.134 105 HB ILE 17 HB ILE 17 -4.105 5.986 3.585 106 1HG1 ILE 17 2HG1 ILE 17 -5.906 5.769 5.288 107 2HG1 ILE 17 1HG1 ILE 17 -5.705 4.020 5.237 108 1HG2 ILE 17 1HG2 ILE 17 -5.902 6.137 2.292 109 2HG2 ILE 17 2HG2 ILE 17 -6.739 4.862 3.176 110 3HG2 ILE 17 3HG2 ILE 17 -5.629 4.445 1.872 111 1HD1 ILE 17 1HD1 ILE 17 -4.578 5.080 7.151 112 2HD1 ILE 17 2HD1 ILE 17 -3.555 5.972 6.025 113 3HD1 ILE 17 3HD1 ILE 17 -3.466 4.211 6.094 114 H SER 18 H SER 18 -3.095 1.949 1.971 115 HA SER 18 HA SER 18 -4.460 -0.172 3.139 116 1HB SER 18 2HB SER 18 -6.225 -0.516 1.337 117 2HB SER 18 1HB SER 18 -6.556 0.782 2.481 118 HG SER 18 HG SER 18 -5.894 2.272 0.949 119 H PHE 19 H PHE 19 -4.071 -2.141 2.014 120 HA PHE 19 HA PHE 19 -2.620 -1.951 -0.523 121 1HB PHE 19 2HB PHE 19 -1.513 -3.604 1.742 122 2HB PHE 19 1HB PHE 19 -0.767 -3.272 0.193 123 HD1 PHE 19 1HD PHE 19 0.646 -1.439 -0.105 124 HD2 PHE 19 2HD PHE 19 -1.727 -1.714 3.416 125 HE1 PHE 19 1HE PHE 19 1.908 0.423 0.887 126 HE2 PHE 19 2HE PHE 19 -0.477 0.156 4.411 127 HZ PHE 19 HZ PHE 19 1.345 1.227 3.146 128 H TYR 20 H TYR 20 -2.140 -4.299 -1.312 129 HA TYR 20 HA TYR 20 -4.653 -5.776 -1.041 130 1HB TYR 20 2HB TYR 20 -2.352 -6.155 -2.972 131 2HB TYR 20 1HB TYR 20 -3.834 -7.100 -2.979 132 HD1 TYR 20 1HD TYR 20 -2.387 -3.780 -3.652 133 HD2 TYR 20 2HD TYR 20 -5.850 -6.232 -3.933 134 HE1 TYR 20 1HE TYR 20 -3.412 -2.146 -5.172 135 HE2 TYR 20 2HE TYR 20 -6.887 -4.602 -5.455 136 HH TYR 20 HH TYR 20 -5.202 -1.606 -6.362 137 H GLY 21 H GLY 21 -1.216 -6.561 -1.190 138 1HA GLY 21 2HA GLY 21 -1.177 -8.138 1.147 139 2HA GLY 21 1HA GLY 21 -1.331 -9.172 -0.273 Start of MODEL 9 1 2H GLY 1 HN2 GLY 1 -7.034 -1.018 -0.507 2 1HA GLY 1 2HA GLY 1 -8.863 -1.639 0.733 3 2HA GLY 1 1HA GLY 1 -9.056 -2.975 -0.391 4 H GLY 2 H GLY 2 -6.346 -2.321 1.793 5 1HA GLY 2 2HA GLY 2 -7.066 -4.042 3.866 6 2HA GLY 2 1HA GLY 2 -6.179 -4.991 2.678 7 H ALA 3 H ALA 3 -4.317 -5.349 3.827 8 HA ALA 3 HA ALA 3 -2.564 -3.048 4.116 9 1HB ALA 3 1HB ALA 3 -2.775 -2.875 6.321 10 2HB ALA 3 2HB ALA 3 -2.114 -4.503 6.475 11 3HB ALA 3 3HB ALA 3 -3.858 -4.266 6.367 12 H GLY 4 H GLY 4 -2.403 -4.977 2.224 13 1HA GLY 4 2HA GLY 4 -0.599 -7.079 3.030 14 2HA GLY 4 1HA GLY 4 -1.148 -6.738 1.397 15 H HIS 5 H HIS 5 0.559 -6.393 0.129 16 HA HIS 5 HA HIS 5 2.789 -4.812 1.248 17 1HB HIS 5 2HB HIS 5 3.044 -6.650 -1.122 18 2HB HIS 5 1HB HIS 5 4.317 -6.018 -0.083 19 HD1 HIS 5 1HD HIS 5 3.418 -6.841 2.665 20 HD2 HIS 5 2HD HIS 5 2.989 -9.296 -0.654 21 HE1 HIS 5 1HE HIS 5 3.232 -9.175 3.574 22 HE2 HIS 5 2HE HIS 5 2.636 -10.566 1.562 23 H VAL 6 H VAL 6 0.884 -5.347 -1.712 24 HA VAL 6 HA VAL 6 2.086 -2.986 -2.919 25 HB VAL 6 HB VAL 6 1.821 -4.774 -4.450 26 1HG1 VAL 6 1HG1 VAL 6 -1.026 -5.111 -4.568 27 2HG1 VAL 6 2HG1 VAL 6 -0.435 -5.441 -2.939 28 3HG1 VAL 6 3HG1 VAL 6 0.237 -6.315 -4.316 29 1HG2 VAL 6 1HG2 VAL 6 0.131 -2.401 -4.795 30 2HG2 VAL 6 2HG2 VAL 6 -0.266 -3.752 -5.859 31 3HG2 VAL 6 3HG2 VAL 6 1.367 -3.083 -5.854 32 HA PRO 7 HA PRO 7 -0.899 -0.213 -1.172 33 1HB PRO 7 2HB PRO 7 -0.137 1.405 -3.549 34 2HB PRO 7 1HB PRO 7 -0.157 1.849 -1.839 35 1HG PRO 7 2HG PRO 7 2.142 1.355 -3.068 36 2HG PRO 7 1HG PRO 7 1.869 0.797 -1.406 37 1HD PRO 7 2HD PRO 7 1.803 -0.751 -3.963 38 2HD PRO 7 1HD PRO 7 2.431 -1.227 -2.372 39 H GLU 8 H GLU 8 -2.993 0.175 -1.398 40 HA GLU 8 HA GLU 8 -4.306 -0.568 -3.911 41 1HB GLU 8 2HB GLU 8 -5.285 -0.301 -1.076 42 2HB GLU 8 1HB GLU 8 -6.405 -0.372 -2.427 43 1HG GLU 8 2HG GLU 8 -5.409 -2.549 -3.063 44 2HG GLU 8 1HG GLU 8 -4.431 -2.478 -1.597 45 H TYR 9 H TYR 9 -5.136 1.761 -1.351 46 HA TYR 9 HA TYR 9 -5.581 3.767 -3.463 47 1HB TYR 9 2HB TYR 9 -7.079 3.464 -0.855 48 2HB TYR 9 1HB TYR 9 -7.336 4.741 -2.032 49 HD1 TYR 9 1HD TYR 9 -8.863 4.452 -3.778 50 HD2 TYR 9 2HD TYR 9 -7.521 1.045 -1.611 51 HE1 TYR 9 1HE TYR 9 -10.544 3.068 -4.921 52 HE2 TYR 9 2HE TYR 9 -9.193 -0.347 -2.752 53 HH TYR 9 HH TYR 9 -10.587 0.265 -5.420 54 H PHE 10 H PHE 10 -4.851 5.789 -3.168 55 HA PHE 10 HA PHE 10 -3.109 6.259 -0.843 56 1HB PHE 10 2HB PHE 10 -3.021 7.737 -3.477 57 2HB PHE 10 1HB PHE 10 -1.821 7.763 -2.199 58 HD1 PHE 10 1HD PHE 10 -3.424 5.392 -4.601 59 HD2 PHE 10 2HD PHE 10 0.052 6.447 -2.384 60 HE1 PHE 10 1HE PHE 10 -2.167 3.606 -5.731 61 HE2 PHE 10 2HE PHE 10 1.314 4.662 -3.510 62 HZ PHE 10 HZ PHE 10 0.206 3.239 -5.185 63 H VAL 11 H VAL 11 -3.300 8.233 0.270 64 HA VAL 11 HA VAL 11 -5.090 10.281 -0.603 65 HB VAL 11 HB VAL 11 -6.730 8.585 0.120 66 1HG1 VAL 11 1HG1 VAL 11 -4.988 8.374 2.385 67 2HG1 VAL 11 2HG1 VAL 11 -6.329 7.336 1.901 68 3HG1 VAL 11 3HG1 VAL 11 -6.629 8.752 2.909 69 1HG2 VAL 11 1HG2 VAL 11 -6.797 10.887 2.047 70 2HG2 VAL 11 2HG2 VAL 11 -8.152 10.047 1.294 71 3HG2 VAL 11 3HG2 VAL 11 -7.106 11.080 0.321 72 H GLY 12 H GLY 12 -5.078 12.106 0.715 73 1HA GLY 12 2HA GLY 12 -4.469 13.341 2.653 74 2HA GLY 12 1HA GLY 12 -3.280 12.107 3.029 75 H ILE 13 H ILE 13 -1.722 11.816 1.135 76 HA ILE 13 HA ILE 13 -0.957 14.219 -0.277 77 HB ILE 13 HB ILE 13 1.446 14.005 0.675 78 1HG1 ILE 13 2HG1 ILE 13 -0.120 12.880 3.007 79 2HG1 ILE 13 1HG1 ILE 13 0.997 11.966 2.000 80 1HG2 ILE 13 1HG2 ILE 13 -0.849 15.342 2.057 81 2HG2 ILE 13 2HG2 ILE 13 0.376 16.042 1.000 82 3HG2 ILE 13 3HG2 ILE 13 0.807 15.534 2.633 83 1HD1 ILE 13 1HD1 ILE 13 1.658 14.243 3.847 84 2HD1 ILE 13 2HD1 ILE 13 2.805 13.509 2.727 85 3HD1 ILE 13 3HD1 ILE 13 2.104 12.547 4.027 86 H GLY 14 H GLY 14 -1.781 11.733 -1.155 87 1HA GLY 14 2HA GLY 14 -1.191 10.262 -2.835 88 2HA GLY 14 1HA GLY 14 0.411 10.988 -2.844 89 H THR 15 H THR 15 -0.600 10.046 0.222 90 HA THR 15 HA THR 15 1.305 7.863 0.262 91 HB THR 15 HB THR 15 0.555 7.914 2.773 92 HG1 THR 15 1HG THR 15 -1.214 9.277 2.598 93 1HG2 THR 15 1HG2 THR 15 2.604 8.785 2.904 94 2HG2 THR 15 2HG2 THR 15 1.923 10.379 2.573 95 3HG2 THR 15 3HG2 THR 15 2.489 9.369 1.243 96 HA PRO 16 HA PRO 16 -1.994 4.897 -0.130 97 1HB PRO 16 2HB PRO 16 -0.525 2.663 0.290 98 2HB PRO 16 1HB PRO 16 -0.480 3.569 -1.226 99 1HG PRO 16 2HG PRO 16 1.460 3.567 1.043 100 2HG PRO 16 1HG PRO 16 1.773 3.634 -0.700 101 1HD PRO 16 2HD PRO 16 1.839 5.820 0.957 102 2HD PRO 16 1HD PRO 16 1.494 5.902 -0.781 103 H ILE 17 H ILE 17 -3.452 4.543 1.399 104 HA ILE 17 HA ILE 17 -2.517 3.796 4.094 105 HB ILE 17 HB ILE 17 -5.204 5.045 3.488 106 1HG1 ILE 17 2HG1 ILE 17 -3.406 6.598 2.788 107 2HG1 ILE 17 1HG1 ILE 17 -4.295 7.202 4.181 108 1HG2 ILE 17 1HG2 ILE 17 -5.020 3.851 5.615 109 2HG2 ILE 17 2HG2 ILE 17 -5.196 5.587 5.873 110 3HG2 ILE 17 3HG2 ILE 17 -3.616 4.825 6.046 111 1HD1 ILE 17 1HD1 ILE 17 -2.472 6.430 5.643 112 2HD1 ILE 17 2HD1 ILE 17 -1.940 7.619 4.453 113 3HD1 ILE 17 3HD1 ILE 17 -1.578 5.910 4.216 114 H SER 18 H SER 18 -2.772 2.008 1.998 115 HA SER 18 HA SER 18 -4.197 -0.094 3.139 116 1HB SER 18 2HB SER 18 -5.970 -0.375 1.359 117 2HB SER 18 1HB SER 18 -6.252 0.961 2.473 118 HG SER 18 HG SER 18 -5.463 2.380 0.892 119 H PHE 19 H PHE 19 -3.820 -2.041 2.045 120 HA PHE 19 HA PHE 19 -2.397 -1.904 -0.512 121 1HB PHE 19 2HB PHE 19 -1.303 -3.608 1.718 122 2HB PHE 19 1HB PHE 19 -0.556 -3.229 0.181 123 HD1 PHE 19 1HD PHE 19 0.846 -1.373 -0.074 124 HD2 PHE 19 2HD PHE 19 -1.478 -1.791 3.467 125 HE1 PHE 19 1HE PHE 19 2.115 0.455 0.970 126 HE2 PHE 19 2HE PHE 19 -0.218 0.042 4.515 127 HZ PHE 19 HZ PHE 19 1.582 1.168 3.266 128 H TYR 20 H TYR 20 -2.092 -4.188 -1.390 129 HA TYR 20 HA TYR 20 -4.623 -5.580 -1.099 130 1HB TYR 20 2HB TYR 20 -2.284 -6.050 -2.961 131 2HB TYR 20 1HB TYR 20 -3.744 -7.030 -2.958 132 HD1 TYR 20 1HD TYR 20 -2.346 -3.718 -3.753 133 HD2 TYR 20 2HD TYR 20 -5.782 -6.220 -3.935 134 HE1 TYR 20 1HE TYR 20 -3.390 -2.159 -5.340 135 HE2 TYR 20 2HE TYR 20 -6.836 -4.666 -5.523 136 HH TYR 20 HH TYR 20 -5.173 -1.704 -6.570 137 H GLY 21 H GLY 21 -2.247 -7.746 -2.000 138 1HA GLY 21 2HA GLY 21 -2.353 -9.032 0.637 139 2HA GLY 21 1HA GLY 21 -2.029 -9.849 -0.888 Start of MODEL 10 1 2H GLY 1 HN2 GLY 1 -7.363 -1.128 -0.234 2 1HA GLY 1 2HA GLY 1 -9.176 -1.826 0.982 3 2HA GLY 1 1HA GLY 1 -9.370 -3.115 -0.195 4 H GLY 2 H GLY 2 -6.574 -2.570 1.905 5 1HA GLY 2 2HA GLY 2 -7.199 -4.267 3.995 6 2HA GLY 2 1HA GLY 2 -6.528 -5.287 2.730 7 H ALA 3 H ALA 3 -4.576 -5.821 3.523 8 HA ALA 3 HA ALA 3 -2.619 -3.681 3.806 9 1HB ALA 3 1HB ALA 3 -2.088 -5.584 5.872 10 2HB ALA 3 2HB ALA 3 -3.729 -4.966 6.062 11 3HB ALA 3 3HB ALA 3 -2.366 -3.847 6.009 12 H GLY 4 H GLY 4 -0.593 -4.283 3.128 13 1HA GLY 4 2HA GLY 4 0.474 -6.837 3.012 14 2HA GLY 4 1HA GLY 4 -0.400 -6.599 1.505 15 H HIS 5 H HIS 5 1.016 -6.176 -0.059 16 HA HIS 5 HA HIS 5 3.241 -4.332 0.557 17 1HB HIS 5 2HB HIS 5 3.243 -6.270 -1.748 18 2HB HIS 5 1HB HIS 5 4.611 -5.464 -0.993 19 HD1 HIS 5 1HD HIS 5 4.416 -6.238 1.879 20 HD2 HIS 5 2HD HIS 5 3.496 -8.880 -1.188 21 HE1 HIS 5 1HE HIS 5 4.649 -8.533 2.876 22 HE2 HIS 5 2HE HIS 5 3.795 -10.076 1.078 23 H VAL 6 H VAL 6 0.819 -5.218 -1.892 24 HA VAL 6 HA VAL 6 1.538 -2.905 -3.511 25 HB VAL 6 HB VAL 6 -0.730 -4.860 -3.934 26 1HG1 VAL 6 1HG1 VAL 6 -1.318 -3.271 -5.415 27 2HG1 VAL 6 2HG1 VAL 6 -0.021 -3.965 -6.389 28 3HG1 VAL 6 3HG1 VAL 6 0.282 -2.529 -5.411 29 1HG2 VAL 6 1HG2 VAL 6 0.711 -6.044 -5.468 30 2HG2 VAL 6 2HG2 VAL 6 1.476 -5.977 -3.881 31 3HG2 VAL 6 3HG2 VAL 6 2.022 -4.903 -5.168 32 HA PRO 7 HA PRO 7 -1.297 -0.404 -1.104 33 1HB PRO 7 2HB PRO 7 -0.998 1.847 -2.634 34 2HB PRO 7 1HB PRO 7 0.117 1.354 -1.356 35 1HG PRO 7 2HG PRO 7 0.333 0.971 -4.314 36 2HG PRO 7 1HG PRO 7 1.587 1.440 -3.149 37 1HD PRO 7 2HD PRO 7 1.396 -1.069 -4.100 38 2HD PRO 7 1HD PRO 7 1.910 -0.734 -2.433 39 H GLU 8 H GLU 8 -3.394 0.064 -1.213 40 HA GLU 8 HA GLU 8 -4.798 -0.394 -3.742 41 1HB GLU 8 2HB GLU 8 -5.722 -0.329 -0.870 42 2HB GLU 8 1HB GLU 8 -6.846 -0.363 -2.218 43 1HG GLU 8 2HG GLU 8 -5.816 -2.488 -2.957 44 2HG GLU 8 1HG GLU 8 -4.814 -2.460 -1.508 45 H TYR 9 H TYR 9 -5.552 1.685 -0.957 46 HA TYR 9 HA TYR 9 -6.215 3.840 -2.842 47 1HB TYR 9 2HB TYR 9 -7.087 3.451 0.028 48 2HB TYR 9 1HB TYR 9 -7.545 4.807 -0.992 49 HD1 TYR 9 1HD TYR 9 -7.717 1.071 -0.913 50 HD2 TYR 9 2HD TYR 9 -9.536 4.708 -2.164 51 HE1 TYR 9 1HE TYR 9 -9.669 -0.188 -1.716 52 HE2 TYR 9 2HE TYR 9 -11.493 3.458 -2.970 53 HH TYR 9 HH TYR 9 -12.083 1.218 -3.681 54 H PHE 10 H PHE 10 -5.375 5.869 -2.608 55 HA PHE 10 HA PHE 10 -3.221 6.168 -0.621 56 1HB PHE 10 2HB PHE 10 -3.285 7.520 -3.317 57 2HB PHE 10 1HB PHE 10 -1.959 7.486 -2.174 58 HD1 PHE 10 1HD PHE 10 -0.237 6.013 -2.503 59 HD2 PHE 10 2HD PHE 10 -4.021 5.176 -4.261 60 HE1 PHE 10 1HE PHE 10 0.745 4.104 -3.703 61 HE2 PHE 10 2HE PHE 10 -3.047 3.261 -5.456 62 HZ PHE 10 HZ PHE 10 -0.661 2.723 -5.180 63 H VAL 11 H VAL 11 -3.055 8.096 0.423 64 HA VAL 11 HA VAL 11 -5.409 9.799 0.408 65 HB VAL 11 HB VAL 11 -2.902 10.068 2.092 66 1HG1 VAL 11 1HG1 VAL 11 -3.839 12.007 2.674 67 2HG1 VAL 11 2HG1 VAL 11 -5.048 11.044 3.524 68 3HG1 VAL 11 3HG1 VAL 11 -5.361 11.604 1.880 69 1HG2 VAL 11 1HG2 VAL 11 -5.393 8.965 3.245 70 2HG2 VAL 11 2HG2 VAL 11 -3.710 8.618 3.637 71 3HG2 VAL 11 3HG2 VAL 11 -4.445 7.904 2.203 72 H GLY 12 H GLY 12 -5.255 12.106 0.085 73 1HA GLY 12 2HA GLY 12 -3.957 12.908 -2.204 74 2HA GLY 12 1HA GLY 12 -4.565 14.011 -0.988 75 H ILE 13 H ILE 13 -2.686 12.876 1.028 76 HA ILE 13 HA ILE 13 -0.451 14.573 0.358 77 HB ILE 13 HB ILE 13 0.379 13.992 2.650 78 1HG1 ILE 13 2HG1 ILE 13 -2.302 12.601 2.870 79 2HG1 ILE 13 1HG1 ILE 13 -0.740 11.789 2.828 80 1HG2 ILE 13 1HG2 ILE 13 -2.352 15.185 2.259 81 2HG2 ILE 13 2HG2 ILE 13 -0.804 16.017 2.397 82 3HG2 ILE 13 3HG2 ILE 13 -1.507 15.223 3.807 83 1HD1 ILE 13 1HD1 ILE 13 -0.834 13.805 4.894 84 2HD1 ILE 13 2HD1 ILE 13 -0.441 12.090 5.003 85 3HD1 ILE 13 3HD1 ILE 13 -2.123 12.615 5.074 86 H GLY 14 H GLY 14 -0.755 12.178 -1.195 87 1HA GLY 14 2HA GLY 14 0.507 10.509 -2.116 88 2HA GLY 14 1HA GLY 14 1.877 11.418 -1.516 89 H THR 15 H THR 15 -0.647 9.410 0.077 90 HA THR 15 HA THR 15 1.416 7.535 0.860 91 HB THR 15 HB THR 15 1.589 9.212 2.635 92 HG1 THR 15 1HG THR 15 1.952 7.556 3.875 93 1HG2 THR 15 1HG2 THR 15 -0.640 10.148 2.616 94 2HG2 THR 15 2HG2 THR 15 -0.281 9.526 4.227 95 3HG2 THR 15 3HG2 THR 15 -1.326 8.610 3.140 96 HA PRO 16 HA PRO 16 -2.199 4.990 0.377 97 1HB PRO 16 2HB PRO 16 -0.958 2.616 0.404 98 2HB PRO 16 1HB PRO 16 -0.793 3.734 -0.953 99 1HG PRO 16 2HG PRO 16 1.124 3.113 1.235 100 2HG PRO 16 1HG PRO 16 1.441 3.525 -0.458 101 1HD PRO 16 2HD PRO 16 1.601 5.271 1.733 102 2HD PRO 16 1HD PRO 16 1.575 5.738 0.024 103 H ILE 17 H ILE 17 -3.647 4.333 1.850 104 HA ILE 17 HA ILE 17 -2.639 3.405 4.454 105 HB ILE 17 HB ILE 17 -4.670 4.178 5.510 106 1HG1 ILE 17 2HG1 ILE 17 -6.204 3.835 3.563 107 2HG1 ILE 17 1HG1 ILE 17 -6.432 5.372 4.381 108 1HG2 ILE 17 1HG2 ILE 17 -3.290 5.923 5.746 109 2HG2 ILE 17 2HG2 ILE 17 -4.422 6.718 4.651 110 3HG2 ILE 17 3HG2 ILE 17 -2.932 6.013 4.022 111 1HD1 ILE 17 1HD1 ILE 17 -5.242 6.514 2.606 112 2HD1 ILE 17 2HD1 ILE 17 -6.583 5.574 1.954 113 3HD1 ILE 17 3HD1 ILE 17 -4.931 4.976 1.803 114 H SER 18 H SER 18 -2.973 1.759 2.186 115 HA SER 18 HA SER 18 -4.267 -0.448 3.325 116 1HB SER 18 2HB SER 18 -6.127 -0.674 1.609 117 2HB SER 18 1HB SER 18 -6.376 0.575 2.829 118 HG SER 18 HG SER 18 -5.667 2.112 1.308 119 H PHE 19 H PHE 19 -3.969 -2.344 2.092 120 HA PHE 19 HA PHE 19 -2.642 -2.056 -0.503 121 1HB PHE 19 2HB PHE 19 -1.486 -3.852 1.628 122 2HB PHE 19 1HB PHE 19 -0.802 -3.473 0.060 123 HD1 PHE 19 1HD PHE 19 -1.536 -2.066 3.405 124 HD2 PHE 19 2HD PHE 19 0.615 -1.628 -0.242 125 HE1 PHE 19 1HE PHE 19 -0.204 -0.261 4.412 126 HE2 PHE 19 2HE PHE 19 1.951 0.178 0.760 127 HZ PHE 19 HZ PHE 19 1.543 0.864 3.090 128 H TYR 20 H TYR 20 -2.274 -4.391 -1.420 129 HA TYR 20 HA TYR 20 -4.838 -5.762 -1.141 130 1HB TYR 20 2HB TYR 20 -2.584 -6.141 -3.122 131 2HB TYR 20 1HB TYR 20 -4.066 -7.086 -3.122 132 HD1 TYR 20 1HD TYR 20 -6.088 -6.206 -4.035 133 HD2 TYR 20 2HD TYR 20 -2.643 -3.733 -3.706 134 HE1 TYR 20 1HE TYR 20 -7.149 -4.544 -5.501 135 HE2 TYR 20 2HE TYR 20 -3.697 -2.061 -5.166 136 HH TYR 20 HH TYR 20 -5.524 -1.482 -6.282 137 H GLY 21 H GLY 21 -1.428 -6.652 -1.282 138 1HA GLY 21 2HA GLY 21 -1.480 -8.324 0.983 139 2HA GLY 21 1HA GLY 21 -1.646 -9.298 -0.476 Start of MODEL 11 1 2H GLY 1 HN2 GLY 1 -6.986 -0.694 -0.394 2 1HA GLY 1 2HA GLY 1 -8.760 -1.184 0.978 3 2HA GLY 1 1HA GLY 1 -9.039 -2.537 -0.104 4 H GLY 2 H GLY 2 -6.310 -1.963 2.099 5 1HA GLY 2 2HA GLY 2 -7.089 -3.522 4.235 6 2HA GLY 2 1HA GLY 2 -6.391 -4.636 3.067 7 H ALA 3 H ALA 3 -4.562 -5.174 4.190 8 HA ALA 3 HA ALA 3 -2.529 -3.082 4.337 9 1HB ALA 3 1HB ALA 3 -3.847 -3.990 6.625 10 2HB ALA 3 2HB ALA 3 -2.356 -3.048 6.556 11 3HB ALA 3 3HB ALA 3 -2.284 -4.808 6.634 12 H GLY 4 H GLY 4 -2.649 -4.893 2.372 13 1HA GLY 4 2HA GLY 4 -1.123 -7.264 2.956 14 2HA GLY 4 1HA GLY 4 -1.616 -6.702 1.365 15 H HIS 5 H HIS 5 0.093 -6.375 0.103 16 HA HIS 5 HA HIS 5 2.476 -5.137 1.322 17 1HB HIS 5 2HB HIS 5 2.399 -7.204 -0.885 18 2HB HIS 5 1HB HIS 5 3.850 -6.376 -0.332 19 HD1 HIS 5 1HD HIS 5 1.199 -8.776 0.951 20 HD2 HIS 5 2HD HIS 5 5.091 -7.551 1.794 21 HE1 HIS 5 1HE HIS 5 2.002 -10.277 2.803 22 HE2 HIS 5 2HE HIS 5 4.287 -9.410 3.404 23 H VAL 6 H VAL 6 0.605 -5.487 -1.677 24 HA VAL 6 HA VAL 6 2.004 -3.223 -2.865 25 HB VAL 6 HB VAL 6 -0.322 -4.790 -4.000 26 1HG1 VAL 6 1HG1 VAL 6 0.082 -3.777 -6.032 27 2HG1 VAL 6 2HG1 VAL 6 1.741 -3.354 -5.613 28 3HG1 VAL 6 3HG1 VAL 6 0.398 -2.458 -4.906 29 1HG2 VAL 6 1HG2 VAL 6 2.632 -5.232 -4.427 30 2HG2 VAL 6 2HG2 VAL 6 1.326 -6.082 -5.251 31 3HG2 VAL 6 3HG2 VAL 6 1.551 -6.284 -3.514 32 HA PRO 7 HA PRO 7 -0.827 -0.239 -1.177 33 1HB PRO 7 2HB PRO 7 -0.392 1.692 -3.117 34 2HB PRO 7 1HB PRO 7 0.593 1.456 -1.670 35 1HG PRO 7 2HG PRO 7 1.066 0.509 -4.463 36 2HG PRO 7 1HG PRO 7 2.225 1.145 -3.280 37 1HD PRO 7 2HD PRO 7 2.044 -1.478 -3.773 38 2HD PRO 7 1HD PRO 7 2.345 -0.870 -2.132 39 H GLU 8 H GLU 8 -2.922 0.154 -1.394 40 HA GLU 8 HA GLU 8 -4.262 -0.639 -3.865 41 1HB GLU 8 2HB GLU 8 -5.332 0.028 -1.116 42 2HB GLU 8 1HB GLU 8 -6.343 -0.393 -2.491 43 1HG GLU 8 2HG GLU 8 -5.174 -2.573 -2.611 44 2HG GLU 8 1HG GLU 8 -4.314 -2.142 -1.134 45 H TYR 9 H TYR 9 -5.004 1.921 -1.509 46 HA TYR 9 HA TYR 9 -5.227 3.802 -3.765 47 1HB TYR 9 2HB TYR 9 -7.020 3.628 -1.339 48 2HB TYR 9 1HB TYR 9 -7.069 4.924 -2.523 49 HD1 TYR 9 1HD TYR 9 -7.460 1.226 -2.212 50 HD2 TYR 9 2HD TYR 9 -8.435 4.743 -4.397 51 HE1 TYR 9 1HE TYR 9 -9.052 -0.066 -3.568 52 HE2 TYR 9 2HE TYR 9 -10.031 3.460 -5.759 53 HH TYR 9 HH TYR 9 -10.497 1.205 -6.415 54 H PHE 10 H PHE 10 -4.490 5.836 -3.471 55 HA PHE 10 HA PHE 10 -2.938 6.324 -1.022 56 1HB PHE 10 2HB PHE 10 -2.618 7.819 -3.614 57 2HB PHE 10 1HB PHE 10 -1.496 7.735 -2.272 58 HD1 PHE 10 1HD PHE 10 -3.083 5.521 -4.834 59 HD2 PHE 10 2HD PHE 10 0.322 6.348 -2.420 60 HE1 PHE 10 1HE PHE 10 -1.853 3.712 -5.957 61 HE2 PHE 10 2HE PHE 10 1.557 4.539 -3.538 62 HZ PHE 10 HZ PHE 10 0.471 3.219 -5.310 63 H VAL 11 H VAL 11 -3.336 8.114 0.164 64 HA VAL 11 HA VAL 11 -4.986 10.277 -0.841 65 HB VAL 11 HB VAL 11 -6.511 10.130 1.213 66 1HG1 VAL 11 1HG1 VAL 11 -7.823 9.748 -0.564 67 2HG1 VAL 11 2HG1 VAL 11 -7.776 8.071 -0.019 68 3HG1 VAL 11 3HG1 VAL 11 -6.684 8.617 -1.293 69 1HG2 VAL 11 1HG2 VAL 11 -4.944 7.775 1.620 70 2HG2 VAL 11 2HG2 VAL 11 -6.639 7.327 1.417 71 3HG2 VAL 11 3HG2 VAL 11 -6.175 8.488 2.662 72 H GLY 12 H GLY 12 -5.502 11.729 1.264 73 1HA GLY 12 2HA GLY 12 -4.707 12.980 3.017 74 2HA GLY 12 1HA GLY 12 -3.475 11.765 3.281 75 H ILE 13 H ILE 13 -2.113 11.750 1.030 76 HA ILE 13 HA ILE 13 -1.421 14.269 -0.058 77 HB ILE 13 HB ILE 13 -0.541 14.594 2.252 78 1HG1 ILE 13 2HG1 ILE 13 1.730 15.353 1.587 79 2HG1 ILE 13 1HG1 ILE 13 1.553 14.475 0.072 80 1HG2 ILE 13 1HG2 ILE 13 1.822 13.187 2.333 81 2HG2 ILE 13 2HG2 ILE 13 0.659 12.003 1.733 82 3HG2 ILE 13 3HG2 ILE 13 0.363 12.835 3.261 83 1HD1 ILE 13 1HD1 ILE 13 -0.142 15.924 -0.679 84 2HD1 ILE 13 2HD1 ILE 13 1.118 16.955 -0.002 85 3HD1 ILE 13 3HD1 ILE 13 -0.350 16.634 0.921 86 H GLY 14 H GLY 14 -2.020 11.699 -0.975 87 1HA GLY 14 2HA GLY 14 -1.332 10.410 -2.764 88 2HA GLY 14 1HA GLY 14 0.204 11.262 -2.739 89 H THR 15 H THR 15 -0.672 9.993 0.282 90 HA THR 15 HA THR 15 1.313 7.875 -0.043 91 HB THR 15 HB THR 15 1.725 9.375 1.830 92 HG1 THR 15 1HG THR 15 0.790 6.886 2.852 93 1HG2 THR 15 1HG2 THR 15 0.200 9.478 3.753 94 2HG2 THR 15 2HG2 THR 15 -0.976 8.510 2.864 95 3HG2 THR 15 3HG2 THR 15 -0.545 10.121 2.290 96 HA PRO 16 HA PRO 16 -1.923 4.876 -0.221 97 1HB PRO 16 2HB PRO 16 -0.465 2.650 0.322 98 2HB PRO 16 1HB PRO 16 -0.419 3.481 -1.236 99 1HG PRO 16 2HG PRO 16 1.511 3.612 1.042 100 2HG PRO 16 1HG PRO 16 1.835 3.559 -0.700 101 1HD PRO 16 2HD PRO 16 1.926 5.852 0.768 102 2HD PRO 16 1HD PRO 16 1.500 5.817 -0.955 103 H ILE 17 H ILE 17 -3.416 4.575 1.281 104 HA ILE 17 HA ILE 17 -2.554 3.897 4.019 105 HB ILE 17 HB ILE 17 -5.189 5.204 3.297 106 1HG1 ILE 17 2HG1 ILE 17 -3.306 6.692 2.682 107 2HG1 ILE 17 1HG1 ILE 17 -4.246 7.332 4.025 108 1HG2 ILE 17 1HG2 ILE 17 -3.749 5.064 5.946 109 2HG2 ILE 17 2HG2 ILE 17 -5.040 3.967 5.454 110 3HG2 ILE 17 3HG2 ILE 17 -5.371 5.689 5.644 111 1HD1 ILE 17 1HD1 ILE 17 -2.322 7.609 5.088 112 2HD1 ILE 17 2HD1 ILE 17 -1.445 6.666 3.881 113 3HD1 ILE 17 3HD1 ILE 17 -2.235 5.854 5.233 114 H SER 18 H SER 18 -2.774 2.056 1.978 115 HA SER 18 HA SER 18 -4.274 0.014 3.128 116 1HB SER 18 2HB SER 18 -5.963 -0.299 1.261 117 2HB SER 18 1HB SER 18 -6.292 1.038 2.361 118 HG SER 18 HG SER 18 -5.496 2.465 0.821 119 H PHE 19 H PHE 19 -3.819 -1.965 2.164 120 HA PHE 19 HA PHE 19 -2.390 -1.993 -0.384 121 1HB PHE 19 2HB PHE 19 -1.153 -3.401 1.972 122 2HB PHE 19 1HB PHE 19 -0.444 -3.081 0.405 123 HD1 PHE 19 1HD PHE 19 0.789 -1.126 -0.008 124 HD2 PHE 19 2HD PHE 19 -1.434 -1.509 3.601 125 HE1 PHE 19 1HE PHE 19 1.925 0.857 0.898 126 HE2 PHE 19 2HE PHE 19 -0.306 0.479 4.509 127 HZ PHE 19 HZ PHE 19 1.375 1.665 3.157 128 H TYR 20 H TYR 20 -1.912 -4.277 -1.045 129 HA TYR 20 HA TYR 20 -3.559 -6.310 0.206 130 1HB TYR 20 2HB TYR 20 -4.471 -7.025 -2.063 131 2HB TYR 20 1HB TYR 20 -5.218 -5.640 -1.304 132 HD1 TYR 20 1HD TYR 20 -6.160 -4.663 -3.245 133 HD2 TYR 20 2HD TYR 20 -2.002 -5.549 -3.159 134 HE1 TYR 20 1HE TYR 20 -5.850 -3.375 -5.314 135 HE2 TYR 20 2HE TYR 20 -1.681 -4.258 -5.226 136 HH TYR 20 HH TYR 20 -3.170 -2.162 -6.333 137 H GLY 21 H GLY 21 -3.274 -8.431 -0.993 138 1HA GLY 21 2HA GLY 21 -1.842 -10.114 -1.634 139 2HA GLY 21 1HA GLY 21 -1.028 -8.907 -2.618 Start of MODEL 12 1 2H GLY 1 HN2 GLY 1 -6.989 -0.713 -0.361 2 1HA GLY 1 2HA GLY 1 -8.765 -1.229 0.997 3 2HA GLY 1 1HA GLY 1 -9.033 -2.574 -0.099 4 H GLY 2 H GLY 2 -6.310 -2.004 2.112 5 1HA GLY 2 2HA GLY 2 -7.085 -3.588 4.233 6 2HA GLY 2 1HA GLY 2 -6.376 -4.687 3.056 7 H ALA 3 H ALA 3 -4.542 -5.221 4.172 8 HA ALA 3 HA ALA 3 -2.525 -3.115 4.343 9 1HB ALA 3 1HB ALA 3 -3.182 -3.053 6.574 10 2HB ALA 3 2HB ALA 3 -1.815 -4.169 6.591 11 3HB ALA 3 3HB ALA 3 -3.465 -4.793 6.642 12 H GLY 4 H GLY 4 -2.633 -4.911 2.363 13 1HA GLY 4 2HA GLY 4 -1.090 -7.275 2.925 14 2HA GLY 4 1HA GLY 4 -1.586 -6.701 1.340 15 H HIS 5 H HIS 5 0.117 -6.343 0.078 16 HA HIS 5 HA HIS 5 2.489 -5.095 1.309 17 1HB HIS 5 2HB HIS 5 2.440 -7.147 -0.911 18 2HB HIS 5 1HB HIS 5 3.882 -6.314 -0.338 19 HD1 HIS 5 1HD HIS 5 1.240 -8.746 0.901 20 HD2 HIS 5 2HD HIS 5 5.115 -7.499 1.786 21 HE1 HIS 5 1HE HIS 5 2.040 -10.261 2.742 22 HE2 HIS 5 2HE HIS 5 4.314 -9.382 3.369 23 H VAL 6 H VAL 6 0.619 -5.445 -1.687 24 HA VAL 6 HA VAL 6 2.002 -3.170 -2.871 25 HB VAL 6 HB VAL 6 -0.315 -4.748 -4.005 26 1HG1 VAL 6 1HG1 VAL 6 1.080 -3.876 -6.134 27 2HG1 VAL 6 2HG1 VAL 6 1.390 -2.558 -5.002 28 3HG1 VAL 6 3HG1 VAL 6 -0.268 -2.990 -5.420 29 1HG2 VAL 6 1HG2 VAL 6 2.250 -5.696 -3.481 30 2HG2 VAL 6 2HG2 VAL 6 2.252 -5.309 -5.201 31 3HG2 VAL 6 3HG2 VAL 6 1.048 -6.419 -4.550 32 HA PRO 7 HA PRO 7 -0.810 -0.182 -1.160 33 1HB PRO 7 2HB PRO 7 -0.031 1.339 -3.593 34 2HB PRO 7 1HB PRO 7 0.022 1.822 -1.895 35 1HG PRO 7 2HG PRO 7 2.254 1.186 -3.191 36 2HG PRO 7 1HG PRO 7 2.015 0.702 -1.501 37 1HD PRO 7 2HD PRO 7 1.804 -0.936 -3.993 38 2HD PRO 7 1HD PRO 7 2.446 -1.381 -2.399 39 H GLU 8 H GLU 8 -2.915 0.186 -1.361 40 HA GLU 8 HA GLU 8 -4.265 -0.612 -3.825 41 1HB GLU 8 2HB GLU 8 -5.315 0.019 -1.062 42 2HB GLU 8 1HB GLU 8 -6.343 -0.375 -2.431 43 1HG GLU 8 2HG GLU 8 -5.167 -2.554 -2.601 44 2HG GLU 8 1HG GLU 8 -4.307 -2.149 -1.117 45 H TYR 9 H TYR 9 -5.030 1.927 -1.455 46 HA TYR 9 HA TYR 9 -5.297 3.809 -3.704 47 1HB TYR 9 2HB TYR 9 -7.022 3.656 -1.227 48 2HB TYR 9 1HB TYR 9 -7.124 4.916 -2.445 49 HD1 TYR 9 1HD TYR 9 -7.479 1.233 -1.993 50 HD2 TYR 9 2HD TYR 9 -8.517 4.656 -4.296 51 HE1 TYR 9 1HE TYR 9 -9.090 -0.119 -3.264 52 HE2 TYR 9 2HE TYR 9 -10.133 3.313 -5.573 53 HH TYR 9 HH TYR 9 -10.636 1.066 -6.119 54 H PHE 10 H PHE 10 -4.535 5.834 -3.442 55 HA PHE 10 HA PHE 10 -2.962 6.344 -1.010 56 1HB PHE 10 2HB PHE 10 -2.633 7.794 -3.626 57 2HB PHE 10 1HB PHE 10 -1.510 7.719 -2.285 58 HD1 PHE 10 1HD PHE 10 -3.126 5.475 -4.802 59 HD2 PHE 10 2HD PHE 10 0.299 6.318 -2.421 60 HE1 PHE 10 1HE PHE 10 -1.914 3.639 -5.901 61 HE2 PHE 10 2HE PHE 10 1.515 4.482 -3.516 62 HZ PHE 10 HZ PHE 10 0.409 3.140 -5.258 63 H VAL 11 H VAL 11 -3.350 8.147 0.151 64 HA VAL 11 HA VAL 11 -4.961 10.322 -0.887 65 HB VAL 11 HB VAL 11 -6.505 10.223 1.153 66 1HG1 VAL 11 1HG1 VAL 11 -7.783 9.847 -0.659 67 2HG1 VAL 11 2HG1 VAL 11 -7.816 8.194 -0.045 68 3HG1 VAL 11 3HG1 VAL 11 -6.680 8.639 -1.319 69 1HG2 VAL 11 1HG2 VAL 11 -6.851 8.204 2.290 70 2HG2 VAL 11 2HG2 VAL 11 -5.098 8.386 2.224 71 3HG2 VAL 11 3HG2 VAL 11 -5.912 7.280 1.117 72 H GLY 12 H GLY 12 -5.458 11.819 1.182 73 1HA GLY 12 2HA GLY 12 -4.652 13.076 2.928 74 2HA GLY 12 1HA GLY 12 -3.450 11.835 3.221 75 H ILE 13 H ILE 13 -2.068 11.759 0.984 76 HA ILE 13 HA ILE 13 -1.307 14.244 -0.133 77 HB ILE 13 HB ILE 13 -0.443 14.597 2.173 78 1HG1 ILE 13 2HG1 ILE 13 1.736 14.337 0.087 79 2HG1 ILE 13 1HG1 ILE 13 0.629 15.698 0.240 80 1HG2 ILE 13 1HG2 ILE 13 0.486 12.921 3.275 81 2HG2 ILE 13 2HG2 ILE 13 1.885 13.038 2.206 82 3HG2 ILE 13 3HG2 ILE 13 0.561 11.939 1.811 83 1HD1 ILE 13 1HD1 ILE 13 2.020 15.133 2.719 84 2HD1 ILE 13 2HD1 ILE 13 1.875 16.642 1.816 85 3HD1 ILE 13 3HD1 ILE 13 3.122 15.472 1.385 86 H GLY 14 H GLY 14 -1.956 11.689 -1.031 87 1HA GLY 14 2HA GLY 14 -1.280 10.349 -2.785 88 2HA GLY 14 1HA GLY 14 0.272 11.170 -2.762 89 H THR 15 H THR 15 -0.676 9.952 0.268 90 HA THR 15 HA THR 15 1.280 7.801 -0.005 91 HB THR 15 HB THR 15 1.697 9.314 1.856 92 HG1 THR 15 1HG THR 15 0.704 6.854 2.895 93 1HG2 THR 15 1HG2 THR 15 -1.161 8.782 2.477 94 2HG2 THR 15 2HG2 THR 15 -0.236 10.278 2.600 95 3HG2 THR 15 3HG2 THR 15 -0.051 9.023 3.826 96 HA PRO 16 HA PRO 16 -2.019 4.870 -0.180 97 1HB PRO 16 2HB PRO 16 -0.599 2.616 0.332 98 2HB PRO 16 1HB PRO 16 -0.540 3.461 -1.217 99 1HG PRO 16 2HG PRO 16 1.397 3.528 1.058 100 2HG PRO 16 1HG PRO 16 1.715 3.492 -0.686 101 1HD PRO 16 2HD PRO 16 1.847 5.763 0.818 102 2HD PRO 16 1HD PRO 16 1.437 5.758 -0.907 103 H ILE 17 H ILE 17 -3.508 4.566 1.325 104 HA ILE 17 HA ILE 17 -2.637 3.897 4.062 105 HB ILE 17 HB ILE 17 -5.293 5.153 3.337 106 1HG1 ILE 17 2HG1 ILE 17 -3.446 6.673 2.698 107 2HG1 ILE 17 1HG1 ILE 17 -4.386 7.304 4.045 108 1HG2 ILE 17 1HG2 ILE 17 -4.153 4.109 5.759 109 2HG2 ILE 17 2HG2 ILE 17 -5.780 4.721 5.465 110 3HG2 ILE 17 3HG2 ILE 17 -4.494 5.829 5.941 111 1HD1 ILE 17 1HD1 ILE 17 -1.741 5.891 4.301 112 2HD1 ILE 17 2HD1 ILE 17 -2.660 6.653 5.599 113 3HD1 ILE 17 3HD1 ILE 17 -1.967 7.641 4.313 114 H SER 18 H SER 18 -2.836 2.052 2.019 115 HA SER 18 HA SER 18 -4.292 -0.017 3.174 116 1HB SER 18 2HB SER 18 -5.992 -0.348 1.315 117 2HB SER 18 1HB SER 18 -6.334 0.971 2.431 118 HG SER 18 HG SER 18 -5.613 2.429 0.901 119 H PHE 19 H PHE 19 -3.823 -1.990 2.190 120 HA PHE 19 HA PHE 19 -2.401 -1.976 -0.366 121 1HB PHE 19 2HB PHE 19 -1.145 -3.405 1.965 122 2HB PHE 19 1HB PHE 19 -0.441 -3.042 0.407 123 HD1 PHE 19 1HD PHE 19 0.763 -1.060 0.034 124 HD2 PHE 19 2HD PHE 19 -1.450 -1.553 3.636 125 HE1 PHE 19 1HE PHE 19 1.872 0.919 0.982 126 HE2 PHE 19 2HE PHE 19 -0.350 0.431 4.587 127 HZ PHE 19 HZ PHE 19 1.313 1.669 3.261 128 H TYR 20 H TYR 20 -1.911 -4.245 -1.061 129 HA TYR 20 HA TYR 20 -3.538 -6.304 0.178 130 1HB TYR 20 2HB TYR 20 -4.445 -7.008 -2.095 131 2HB TYR 20 1HB TYR 20 -5.202 -5.634 -1.326 132 HD1 TYR 20 1HD TYR 20 -1.988 -5.519 -3.191 133 HD2 TYR 20 2HD TYR 20 -6.148 -4.639 -3.251 134 HE1 TYR 20 1HE TYR 20 -1.679 -4.224 -5.255 135 HE2 TYR 20 2HE TYR 20 -5.847 -3.336 -5.313 136 HH TYR 20 HH TYR 20 -3.189 -2.115 -6.343 137 H GLY 21 H GLY 21 -3.238 -8.413 -1.038 138 1HA GLY 21 2HA GLY 21 -1.796 -10.081 -1.694 139 2HA GLY 21 1HA GLY 21 -0.985 -8.859 -2.663 Start of MODEL 13 1 2H GLY 1 HN2 GLY 1 -7.189 -0.801 -0.260 2 1HA GLY 1 2HA GLY 1 -9.263 -1.302 0.698 3 2HA GLY 1 1HA GLY 1 -9.101 -2.956 0.136 4 H GLY 2 H GLY 2 -6.660 -3.674 1.271 5 1HA GLY 2 2HA GLY 2 -7.269 -3.406 4.153 6 2HA GLY 2 1HA GLY 2 -6.781 -4.927 3.425 7 H ALA 3 H ALA 3 -4.811 -5.427 4.070 8 HA ALA 3 HA ALA 3 -2.710 -3.387 3.897 9 1HB ALA 3 1HB ALA 3 -1.917 -3.725 6.018 10 2HB ALA 3 2HB ALA 3 -2.563 -5.362 6.119 11 3HB ALA 3 3HB ALA 3 -3.639 -3.976 6.301 12 H GLY 4 H GLY 4 -0.720 -4.157 3.216 13 1HA GLY 4 2HA GLY 4 0.092 -6.823 3.140 14 2HA GLY 4 1HA GLY 4 -0.741 -6.485 1.630 15 H HIS 5 H HIS 5 0.822 -6.370 0.140 16 HA HIS 5 HA HIS 5 3.208 -4.745 0.739 17 1HB HIS 5 2HB HIS 5 2.854 -6.782 -1.469 18 2HB HIS 5 1HB HIS 5 4.349 -5.989 -0.998 19 HD1 HIS 5 1HD HIS 5 4.335 -8.986 -1.079 20 HD2 HIS 5 2HD HIS 5 3.281 -6.852 2.320 21 HE1 HIS 5 1HE HIS 5 4.696 -10.563 0.839 22 HE2 HIS 5 2HE HIS 5 3.797 -9.329 2.839 23 H VAL 6 H VAL 6 0.834 -5.440 -1.837 24 HA VAL 6 HA VAL 6 1.748 -3.103 -3.311 25 HB VAL 6 HB VAL 6 -0.090 -3.817 -4.948 26 1HG1 VAL 6 1HG1 VAL 6 2.480 -5.114 -4.340 27 2HG1 VAL 6 2HG1 VAL 6 1.909 -4.367 -5.832 28 3HG1 VAL 6 3HG1 VAL 6 1.416 -6.010 -5.423 29 1HG2 VAL 6 1HG2 VAL 6 -0.347 -6.456 -4.572 30 2HG2 VAL 6 2HG2 VAL 6 -1.524 -5.284 -3.977 31 3HG2 VAL 6 3HG2 VAL 6 -0.298 -5.932 -2.889 32 HA PRO 7 HA PRO 7 -1.166 -0.463 -1.259 33 1HB PRO 7 2HB PRO 7 -0.844 1.666 -2.951 34 2HB PRO 7 1HB PRO 7 0.258 1.269 -1.629 35 1HG PRO 7 2HG PRO 7 0.497 0.656 -4.548 36 2HG PRO 7 1HG PRO 7 1.742 1.219 -3.415 37 1HD PRO 7 2HD PRO 7 1.570 -1.356 -4.155 38 2HD PRO 7 1HD PRO 7 2.053 -0.889 -2.512 39 H GLU 8 H GLU 8 -3.255 -0.001 -1.425 40 HA GLU 8 HA GLU 8 -4.650 -0.689 -3.897 41 1HB GLU 8 2HB GLU 8 -5.602 -0.154 -1.083 42 2HB GLU 8 1HB GLU 8 -6.705 -0.362 -2.434 43 1HG GLU 8 2HG GLU 8 -5.746 -2.608 -2.808 44 2HG GLU 8 1HG GLU 8 -4.760 -2.387 -1.364 45 H TYR 9 H TYR 9 -5.224 1.811 -1.431 46 HA TYR 9 HA TYR 9 -5.441 3.794 -3.596 47 1HB TYR 9 2HB TYR 9 -7.262 3.544 -1.195 48 2HB TYR 9 1HB TYR 9 -7.282 4.882 -2.334 49 HD1 TYR 9 1HD TYR 9 -7.791 1.200 -2.097 50 HD2 TYR 9 2HD TYR 9 -8.575 4.767 -4.280 51 HE1 TYR 9 1HE TYR 9 -9.386 -0.023 -3.511 52 HE2 TYR 9 2HE TYR 9 -10.174 3.552 -5.698 53 HH TYR 9 HH TYR 9 -10.292 0.387 -6.040 54 H PHE 10 H PHE 10 -4.673 5.805 -3.170 55 HA PHE 10 HA PHE 10 -3.011 6.054 -0.775 56 1HB PHE 10 2HB PHE 10 -3.014 7.679 -3.323 57 2HB PHE 10 1HB PHE 10 -1.946 7.956 -1.963 58 HD1 PHE 10 1HD PHE 10 0.198 7.349 -2.412 59 HD2 PHE 10 2HD PHE 10 -2.955 4.924 -3.925 60 HE1 PHE 10 1HE PHE 10 1.852 5.809 -3.380 61 HE2 PHE 10 2HE PHE 10 -1.306 3.377 -4.892 62 HZ PHE 10 HZ PHE 10 1.101 3.819 -4.620 63 H VAL 11 H VAL 11 -3.072 7.914 0.499 64 HA VAL 11 HA VAL 11 -5.705 9.147 0.608 65 HB VAL 11 HB VAL 11 -4.503 8.216 2.648 66 1HG1 VAL 11 1HG1 VAL 11 -3.086 10.252 3.654 67 2HG1 VAL 11 2HG1 VAL 11 -2.689 10.419 1.944 68 3HG1 VAL 11 3HG1 VAL 11 -2.373 8.898 2.781 69 1HG2 VAL 11 1HG2 VAL 11 -6.458 9.887 2.588 70 2HG2 VAL 11 2HG2 VAL 11 -5.256 11.083 3.068 71 3HG2 VAL 11 3HG2 VAL 11 -5.566 9.685 4.097 72 H GLY 12 H GLY 12 -5.631 11.594 1.256 73 1HA GLY 12 2HA GLY 12 -4.589 12.999 -0.973 74 2HA GLY 12 1HA GLY 12 -5.437 13.692 0.387 75 H ILE 13 H ILE 13 -2.394 11.930 0.397 76 HA ILE 13 HA ILE 13 -0.872 14.355 0.683 77 HB ILE 13 HB ILE 13 -1.776 13.924 3.002 78 1HG1 ILE 13 2HG1 ILE 13 0.406 14.347 4.121 79 2HG1 ILE 13 1HG1 ILE 13 1.223 13.934 2.616 80 1HG2 ILE 13 1HG2 ILE 13 -0.621 12.211 4.352 81 2HG2 ILE 13 2HG2 ILE 13 0.091 11.570 2.871 82 3HG2 ILE 13 3HG2 ILE 13 -1.658 11.533 3.097 83 1HD1 ILE 13 1HD1 ILE 13 0.989 16.368 3.024 84 2HD1 ILE 13 2HD1 ILE 13 -0.759 16.177 2.896 85 3HD1 ILE 13 3HD1 ILE 13 0.272 15.822 1.509 86 H GLY 14 H GLY 14 -1.035 12.094 -1.060 87 1HA GLY 14 2HA GLY 14 0.350 10.785 -2.319 88 2HA GLY 14 1HA GLY 14 1.657 11.739 -1.650 89 H THR 15 H THR 15 -0.511 9.408 -0.017 90 HA THR 15 HA THR 15 1.651 7.504 0.140 91 HB THR 15 HB THR 15 2.134 9.013 2.049 92 HG1 THR 15 1HG THR 15 2.784 7.298 3.101 93 1HG2 THR 15 1HG2 THR 15 -0.618 8.175 2.924 94 2HG2 THR 15 2HG2 THR 15 0.027 9.807 2.748 95 3HG2 THR 15 3HG2 THR 15 0.596 8.769 4.056 96 HA PRO 16 HA PRO 16 -1.902 4.893 -0.054 97 1HB PRO 16 2HB PRO 16 -0.681 2.506 0.173 98 2HB PRO 16 1HB PRO 16 -0.535 3.507 -1.276 99 1HG PRO 16 2HG PRO 16 1.389 3.141 0.979 100 2HG PRO 16 1HG PRO 16 1.710 3.265 -0.759 101 1HD PRO 16 2HD PRO 16 2.013 5.336 1.020 102 2HD PRO 16 1HD PRO 16 1.707 5.549 -0.713 103 H ILE 17 H ILE 17 -3.368 4.461 1.454 104 HA ILE 17 HA ILE 17 -2.440 3.566 4.105 105 HB ILE 17 HB ILE 17 -5.075 4.955 3.583 106 1HG1 ILE 17 2HG1 ILE 17 -3.217 6.462 2.949 107 2HG1 ILE 17 1HG1 ILE 17 -4.073 7.031 4.376 108 1HG2 ILE 17 1HG2 ILE 17 -5.306 5.120 5.885 109 2HG2 ILE 17 2HG2 ILE 17 -3.579 4.914 6.176 110 3HG2 ILE 17 3HG2 ILE 17 -4.564 3.532 5.693 111 1HD1 ILE 17 1HD1 ILE 17 -1.300 6.473 4.043 112 2HD1 ILE 17 2HD1 ILE 17 -1.959 5.421 5.296 113 3HD1 ILE 17 3HD1 ILE 17 -2.137 7.172 5.429 114 H SER 18 H SER 18 -2.783 1.867 1.949 115 HA SER 18 HA SER 18 -4.347 -0.182 3.027 116 1HB SER 18 2HB SER 18 -6.082 -0.322 1.193 117 2HB SER 18 1HB SER 18 -6.315 1.003 2.330 118 HG SER 18 HG SER 18 -5.399 2.408 0.806 119 H PHE 19 H PHE 19 -4.050 -2.127 1.926 120 HA PHE 19 HA PHE 19 -2.593 -2.083 -0.609 121 1HB PHE 19 2HB PHE 19 -1.548 -3.738 1.685 122 2HB PHE 19 1HB PHE 19 -0.798 -3.466 0.126 123 HD1 PHE 19 1HD PHE 19 -1.615 -1.870 3.361 124 HD2 PHE 19 2HD PHE 19 0.645 -1.646 -0.238 125 HE1 PHE 19 1HE PHE 19 -0.289 -0.029 4.312 126 HE2 PHE 19 2HE PHE 19 1.973 0.195 0.707 127 HZ PHE 19 HZ PHE 19 1.507 1.006 2.985 128 H TYR 20 H TYR 20 -2.270 -4.483 -1.341 129 HA TYR 20 HA TYR 20 -4.858 -5.800 -0.908 130 1HB TYR 20 2HB TYR 20 -2.736 -6.319 -3.001 131 2HB TYR 20 1HB TYR 20 -4.271 -7.170 -2.891 132 HD1 TYR 20 1HD TYR 20 -6.289 -6.188 -3.716 133 HD2 TYR 20 2HD TYR 20 -2.678 -3.938 -3.675 134 HE1 TYR 20 1HE TYR 20 -7.324 -4.508 -5.185 135 HE2 TYR 20 2HE TYR 20 -3.706 -2.251 -5.137 136 HH TYR 20 HH TYR 20 -5.511 -1.646 -6.264 137 H GLY 21 H GLY 21 -1.482 -6.768 -1.275 138 1HA GLY 21 2HA GLY 21 -1.414 -8.358 1.062 139 2HA GLY 21 1HA GLY 21 -1.672 -9.369 -0.359 Start of MODEL 14 1 2H GLY 1 HN2 GLY 1 -7.215 -0.874 -0.112 2 1HA GLY 1 2HA GLY 1 -9.284 -1.508 0.776 3 2HA GLY 1 1HA GLY 1 -8.924 -3.176 0.369 4 H GLY 2 H GLY 2 -6.509 -3.549 1.700 5 1HA GLY 2 2HA GLY 2 -7.128 -2.885 4.501 6 2HA GLY 2 1HA GLY 2 -6.921 -4.568 4.045 7 H ALA 3 H ALA 3 -4.998 -5.337 4.553 8 HA ALA 3 HA ALA 3 -2.656 -3.571 4.300 9 1HB ALA 3 1HB ALA 3 -1.690 -4.511 6.280 10 2HB ALA 3 2HB ALA 3 -3.006 -5.674 6.434 11 3HB ALA 3 3HB ALA 3 -3.315 -3.956 6.680 12 H GLY 4 H GLY 4 -0.795 -4.511 3.472 13 1HA GLY 4 2HA GLY 4 -0.377 -7.265 3.129 14 2HA GLY 4 1HA GLY 4 -1.135 -6.634 1.675 15 H HIS 5 H HIS 5 0.338 -6.318 0.133 16 HA HIS 5 HA HIS 5 2.944 -5.200 0.961 17 1HB HIS 5 2HB HIS 5 2.424 -7.010 -1.406 18 2HB HIS 5 1HB HIS 5 3.987 -6.382 -0.897 19 HD1 HIS 5 1HD HIS 5 4.199 -7.045 1.967 20 HD2 HIS 5 2HD HIS 5 2.340 -9.609 -0.721 21 HE1 HIS 5 1HE HIS 5 4.282 -9.319 3.039 22 HE2 HIS 5 2HE HIS 5 2.992 -10.811 1.469 23 H VAL 6 H VAL 6 0.869 -5.483 -1.946 24 HA VAL 6 HA VAL 6 1.965 -2.970 -2.934 25 HB VAL 6 HB VAL 6 -0.132 -4.760 -4.173 26 1HG1 VAL 6 1HG1 VAL 6 0.600 -3.579 -6.281 27 2HG1 VAL 6 2HG1 VAL 6 1.428 -2.419 -5.242 28 3HG1 VAL 6 3HG1 VAL 6 -0.323 -2.603 -5.137 29 1HG2 VAL 6 1HG2 VAL 6 1.762 -5.469 -5.659 30 2HG2 VAL 6 2HG2 VAL 6 1.876 -6.023 -3.988 31 3HG2 VAL 6 3HG2 VAL 6 2.854 -4.661 -4.535 32 HA PRO 7 HA PRO 7 -1.145 -0.486 -1.002 33 1HB PRO 7 2HB PRO 7 -0.858 1.692 -2.663 34 2HB PRO 7 1HB PRO 7 0.173 1.337 -1.274 35 1HG PRO 7 2HG PRO 7 0.640 0.780 -4.175 36 2HG PRO 7 1HG PRO 7 1.776 1.374 -2.949 37 1HD PRO 7 2HD PRO 7 1.791 -1.183 -3.735 38 2HD PRO 7 1HD PRO 7 2.095 -0.737 -2.043 39 H GLU 8 H GLU 8 -3.233 -0.073 -1.213 40 HA GLU 8 HA GLU 8 -4.573 -0.789 -3.701 41 1HB GLU 8 2HB GLU 8 -5.686 -0.117 -0.966 42 2HB GLU 8 1HB GLU 8 -6.641 -0.644 -2.344 43 1HG GLU 8 2HG GLU 8 -5.373 -2.769 -2.342 44 2HG GLU 8 1HG GLU 8 -4.562 -2.234 -0.871 45 H TYR 9 H TYR 9 -5.217 1.729 -1.267 46 HA TYR 9 HA TYR 9 -5.524 3.665 -3.468 47 1HB TYR 9 2HB TYR 9 -7.211 3.427 -0.971 48 2HB TYR 9 1HB TYR 9 -7.291 4.775 -2.094 49 HD1 TYR 9 1HD TYR 9 -8.742 4.696 -3.909 50 HD2 TYR 9 2HD TYR 9 -7.720 1.073 -1.926 51 HE1 TYR 9 1HE TYR 9 -10.426 3.497 -5.242 52 HE2 TYR 9 2HE TYR 9 -9.396 -0.135 -3.258 53 HH TYR 9 HH TYR 9 -10.956 1.276 -5.973 54 H PHE 10 H PHE 10 -4.814 5.724 -3.127 55 HA PHE 10 HA PHE 10 -3.095 6.118 -0.775 56 1HB PHE 10 2HB PHE 10 -2.988 7.522 -3.451 57 2HB PHE 10 1HB PHE 10 -1.892 7.793 -2.112 58 HD1 PHE 10 1HD PHE 10 -3.123 4.798 -4.008 59 HD2 PHE 10 2HD PHE 10 0.190 6.958 -2.434 60 HE1 PHE 10 1HE PHE 10 -1.592 3.096 -4.904 61 HE2 PHE 10 2HE PHE 10 1.725 5.256 -3.326 62 HZ PHE 10 HZ PHE 10 0.836 3.324 -4.563 63 H VAL 11 H VAL 11 -3.145 8.120 0.299 64 HA VAL 11 HA VAL 11 -5.713 9.495 0.060 65 HB VAL 11 HB VAL 11 -5.138 10.613 2.181 66 1HG1 VAL 11 1HG1 VAL 11 -6.402 8.760 2.620 67 2HG1 VAL 11 2HG1 VAL 11 -4.947 8.378 3.542 68 3HG1 VAL 11 3HG1 VAL 11 -5.204 7.647 1.957 69 1HG2 VAL 11 1HG2 VAL 11 -2.782 10.760 2.133 70 2HG2 VAL 11 2HG2 VAL 11 -2.602 9.017 1.930 71 3HG2 VAL 11 3HG2 VAL 11 -3.173 9.672 3.465 72 H GLY 12 H GLY 12 -5.496 11.958 0.626 73 1HA GLY 12 2HA GLY 12 -4.302 13.208 -1.575 74 2HA GLY 12 1HA GLY 12 -4.933 14.032 -0.163 75 H ILE 13 H ILE 13 -2.956 12.393 1.484 76 HA ILE 13 HA ILE 13 -0.823 14.333 1.330 77 HB ILE 13 HB ILE 13 -0.806 11.977 3.198 78 1HG1 ILE 13 2HG1 ILE 13 -2.352 14.549 3.621 79 2HG1 ILE 13 1HG1 ILE 13 -3.083 12.990 3.253 80 1HG2 ILE 13 1HG2 ILE 13 1.107 13.636 3.009 81 2HG2 ILE 13 2HG2 ILE 13 0.447 13.388 4.625 82 3HG2 ILE 13 3HG2 ILE 13 0.012 14.830 3.708 83 1HD1 ILE 13 1HD1 ILE 13 -1.369 12.676 5.498 84 2HD1 ILE 13 2HD1 ILE 13 -3.120 12.493 5.403 85 3HD1 ILE 13 3HD1 ILE 13 -2.419 14.069 5.770 86 H GLY 14 H GLY 14 -1.133 12.433 -0.844 87 1HA GLY 14 2HA GLY 14 0.100 11.057 -2.209 88 2HA GLY 14 1HA GLY 14 1.459 11.969 -1.580 89 H THR 15 H THR 15 -0.648 9.607 0.063 90 HA THR 15 HA THR 15 1.518 7.686 0.107 91 HB THR 15 HB THR 15 2.108 9.033 2.034 92 HG1 THR 15 1HG THR 15 0.844 6.704 3.061 93 1HG2 THR 15 1HG2 THR 15 0.500 9.074 4.005 94 2HG2 THR 15 2HG2 THR 15 -0.755 8.618 2.853 95 3HG2 THR 15 3HG2 THR 15 0.118 10.136 2.649 96 HA PRO 16 HA PRO 16 -1.939 4.950 -0.121 97 1HB PRO 16 2HB PRO 16 -0.695 2.632 0.541 98 2HB PRO 16 1HB PRO 16 -0.494 3.417 -1.030 99 1HG PRO 16 2HG PRO 16 1.301 3.474 1.363 100 2HG PRO 16 1HG PRO 16 1.724 3.313 -0.352 101 1HD PRO 16 2HD PRO 16 1.938 5.653 0.999 102 2HD PRO 16 1HD PRO 16 1.561 5.576 -0.734 103 H ILE 17 H ILE 17 -3.502 4.212 1.224 104 HA ILE 17 HA ILE 17 -2.802 3.907 4.068 105 HB ILE 17 HB ILE 17 -4.063 6.024 3.571 106 1HG1 ILE 17 2HG1 ILE 17 -5.542 4.032 5.307 107 2HG1 ILE 17 1HG1 ILE 17 -4.130 4.958 5.802 108 1HG2 ILE 17 1HG2 ILE 17 -5.465 5.311 1.770 109 2HG2 ILE 17 2HG2 ILE 17 -6.499 5.808 3.109 110 3HG2 ILE 17 3HG2 ILE 17 -6.238 4.094 2.786 111 1HD1 ILE 17 1HD1 ILE 17 -6.011 6.815 4.848 112 2HD1 ILE 17 2HD1 ILE 17 -5.482 6.554 6.510 113 3HD1 ILE 17 3HD1 ILE 17 -6.884 5.686 5.884 114 H SER 18 H SER 18 -2.920 1.976 1.978 115 HA SER 18 HA SER 18 -4.228 -0.131 3.251 116 1HB SER 18 2HB SER 18 -5.995 -0.573 1.471 117 2HB SER 18 1HB SER 18 -6.339 0.758 2.573 118 HG SER 18 HG SER 18 -5.804 2.206 0.996 119 H PHE 19 H PHE 19 -3.854 -2.135 2.205 120 HA PHE 19 HA PHE 19 -2.440 -2.126 -0.351 121 1HB PHE 19 2HB PHE 19 -1.238 -3.583 2.002 122 2HB PHE 19 1HB PHE 19 -0.526 -3.315 0.424 123 HD1 PHE 19 1HD PHE 19 -1.454 -1.648 3.596 124 HD2 PHE 19 2HD PHE 19 0.796 -1.428 -0.010 125 HE1 PHE 19 1HE PHE 19 -0.257 0.317 4.468 126 HE2 PHE 19 2HE PHE 19 1.996 0.539 0.856 127 HZ PHE 19 HZ PHE 19 1.469 1.412 3.097 128 H TYR 20 H TYR 20 -1.966 -4.511 -0.957 129 HA TYR 20 HA TYR 20 -3.885 -6.352 0.227 130 1HB TYR 20 2HB TYR 20 -4.549 -7.103 -2.154 131 2HB TYR 20 1HB TYR 20 -5.307 -5.681 -1.473 132 HD1 TYR 20 1HD TYR 20 -2.034 -6.118 -3.277 133 HD2 TYR 20 2HD TYR 20 -5.867 -4.282 -3.190 134 HE1 TYR 20 1HE TYR 20 -1.472 -4.842 -5.303 135 HE2 TYR 20 2HE TYR 20 -5.307 -2.997 -5.205 136 HH TYR 20 HH TYR 20 -2.786 -2.227 -6.250 137 H GLY 21 H GLY 21 -2.950 -7.607 -2.702 138 1HA GLY 21 2HA GLY 21 -1.357 -9.615 -1.584 139 2HA GLY 21 1HA GLY 21 -1.449 -9.232 -3.297 Start of MODEL 15 1 2H GLY 1 HN2 GLY 1 -7.090 -0.693 -0.357 2 1HA GLY 1 2HA GLY 1 -8.929 -1.098 0.954 3 2HA GLY 1 1HA GLY 1 -9.333 -2.382 -0.171 4 H GLY 2 H GLY 2 -6.431 -2.186 1.828 5 1HA GLY 2 2HA GLY 2 -7.294 -3.781 3.957 6 2HA GLY 2 1HA GLY 2 -6.624 -4.839 2.721 7 H ALA 3 H ALA 3 -4.733 -5.471 3.615 8 HA ALA 3 HA ALA 3 -2.693 -3.419 3.959 9 1HB ALA 3 1HB ALA 3 -2.006 -4.890 6.075 10 2HB ALA 3 2HB ALA 3 -3.753 -5.122 6.142 11 3HB ALA 3 3HB ALA 3 -3.075 -3.494 6.201 12 H GLY 4 H GLY 4 -0.703 -4.092 3.308 13 1HA GLY 4 2HA GLY 4 0.281 -6.691 3.295 14 2HA GLY 4 1HA GLY 4 -0.524 -6.445 1.754 15 H HIS 5 H HIS 5 0.982 -6.124 0.252 16 HA HIS 5 HA HIS 5 3.199 -4.282 0.895 17 1HB HIS 5 2HB HIS 5 3.338 -6.403 -1.239 18 2HB HIS 5 1HB HIS 5 4.661 -5.527 -0.481 19 HD1 HIS 5 1HD HIS 5 4.321 -6.049 2.428 20 HD2 HIS 5 2HD HIS 5 3.543 -8.953 -0.437 21 HE1 HIS 5 1HE HIS 5 4.503 -8.249 3.631 22 HE2 HIS 5 2HE HIS 5 3.749 -9.949 1.934 23 H VAL 6 H VAL 6 0.848 -5.293 -1.548 24 HA VAL 6 HA VAL 6 1.726 -3.201 -3.373 25 HB VAL 6 HB VAL 6 -0.650 -5.053 -3.643 26 1HG1 VAL 6 1HG1 VAL 6 0.223 -4.430 -6.161 27 2HG1 VAL 6 2HG1 VAL 6 0.468 -2.915 -5.291 28 3HG1 VAL 6 3HG1 VAL 6 -1.130 -3.661 -5.330 29 1HG2 VAL 6 1HG2 VAL 6 0.723 -6.497 -4.977 30 2HG2 VAL 6 2HG2 VAL 6 1.519 -6.257 -3.421 31 3HG2 VAL 6 3HG2 VAL 6 2.092 -5.393 -4.847 32 HA PRO 7 HA PRO 7 -0.961 -0.266 -1.319 33 1HB PRO 7 2HB PRO 7 -0.588 1.729 -3.170 34 2HB PRO 7 1HB PRO 7 0.513 1.387 -1.831 35 1HG PRO 7 2HG PRO 7 0.700 0.562 -4.700 36 2HG PRO 7 1HG PRO 7 1.977 1.143 -3.615 37 1HD PRO 7 2HD PRO 7 1.690 -1.464 -4.181 38 2HD PRO 7 1HD PRO 7 2.198 -0.911 -2.571 39 H GLU 8 H GLU 8 -3.072 0.090 -1.449 40 HA GLU 8 HA GLU 8 -4.488 -0.613 -3.897 41 1HB GLU 8 2HB GLU 8 -5.336 -0.145 -1.053 42 2HB GLU 8 1HB GLU 8 -6.522 -0.146 -2.350 43 1HG GLU 8 2HG GLU 8 -5.736 -2.427 -2.966 44 2HG GLU 8 1HG GLU 8 -4.724 -2.408 -1.523 45 H TYR 9 H TYR 9 -5.074 1.937 -1.487 46 HA TYR 9 HA TYR 9 -5.306 3.863 -3.701 47 1HB TYR 9 2HB TYR 9 -7.135 3.638 -1.303 48 2HB TYR 9 1HB TYR 9 -7.162 4.964 -2.458 49 HD1 TYR 9 1HD TYR 9 -7.645 1.283 -2.172 50 HD2 TYR 9 2HD TYR 9 -8.427 4.808 -4.422 51 HE1 TYR 9 1HE TYR 9 -9.218 0.027 -3.583 52 HE2 TYR 9 2HE TYR 9 -10.002 3.561 -5.839 53 HH TYR 9 HH TYR 9 -10.094 0.404 -6.145 54 H PHE 10 H PHE 10 -4.615 5.925 -3.310 55 HA PHE 10 HA PHE 10 -3.076 6.315 -0.830 56 1HB PHE 10 2HB PHE 10 -2.688 7.948 -3.317 57 2HB PHE 10 1HB PHE 10 -1.562 7.674 -2.002 58 HD1 PHE 10 1HD PHE 10 -3.228 5.935 -4.844 59 HD2 PHE 10 2HD PHE 10 0.093 6.065 -2.186 60 HE1 PHE 10 1HE PHE 10 -2.126 4.160 -6.139 61 HE2 PHE 10 2HE PHE 10 1.199 4.290 -3.477 62 HZ PHE 10 HZ PHE 10 0.091 3.334 -5.457 63 H VAL 11 H VAL 11 -3.548 8.045 0.437 64 HA VAL 11 HA VAL 11 -5.250 10.193 -0.581 65 HB VAL 11 HB VAL 11 -6.053 8.562 1.843 66 1HG1 VAL 11 1HG1 VAL 11 -7.313 11.010 0.622 67 2HG1 VAL 11 2HG1 VAL 11 -6.567 10.880 2.214 68 3HG1 VAL 11 3HG1 VAL 11 -8.061 10.011 1.868 69 1HG2 VAL 11 1HG2 VAL 11 -7.526 7.424 0.604 70 2HG2 VAL 11 2HG2 VAL 11 -6.581 7.963 -0.783 71 3HG2 VAL 11 3HG2 VAL 11 -8.015 8.863 -0.291 72 H GLY 12 H GLY 12 -5.071 12.105 0.558 73 1HA GLY 12 2HA GLY 12 -4.478 13.445 2.411 74 2HA GLY 12 1HA GLY 12 -3.419 12.166 2.967 75 H ILE 13 H ILE 13 -1.741 11.646 1.188 76 HA ILE 13 HA ILE 13 -0.688 13.985 -0.174 77 HB ILE 13 HB ILE 13 1.610 13.577 0.905 78 1HG1 ILE 13 2HG1 ILE 13 -0.135 12.415 3.087 79 2HG1 ILE 13 1HG1 ILE 13 0.975 11.495 2.079 80 1HG2 ILE 13 1HG2 ILE 13 0.525 15.646 1.266 81 2HG2 ILE 13 2HG2 ILE 13 1.055 15.074 2.848 82 3HG2 ILE 13 3HG2 ILE 13 -0.638 14.923 2.378 83 1HD1 ILE 13 1HD1 ILE 13 1.486 12.965 4.486 84 2HD1 ILE 13 2HD1 ILE 13 2.501 13.559 3.172 85 3HD1 ILE 13 3HD1 ILE 13 2.532 11.850 3.607 86 H GLY 14 H GLY 14 -1.671 11.558 -1.136 87 1HA GLY 14 2HA GLY 14 -1.130 10.003 -2.738 88 2HA GLY 14 1HA GLY 14 0.462 10.745 -2.820 89 H THR 15 H THR 15 -0.702 9.588 0.219 90 HA THR 15 HA THR 15 1.274 7.432 0.109 91 HB THR 15 HB THR 15 1.621 9.050 1.923 92 HG1 THR 15 1HG THR 15 1.744 7.510 3.598 93 1HG2 THR 15 1HG2 THR 15 0.073 9.614 3.534 94 2HG2 THR 15 2HG2 THR 15 -0.867 8.139 3.302 95 3HG2 THR 15 3HG2 THR 15 -0.962 9.441 2.117 96 HA PRO 16 HA PRO 16 -2.142 4.635 -0.043 97 1HB PRO 16 2HB PRO 16 -0.785 2.323 0.287 98 2HB PRO 16 1HB PRO 16 -0.758 3.252 -1.214 99 1HG PRO 16 2HG PRO 16 1.287 3.076 0.946 100 2HG PRO 16 1HG PRO 16 1.513 3.208 -0.806 101 1HD PRO 16 2HD PRO 16 1.748 5.305 0.972 102 2HD PRO 16 1HD PRO 16 1.411 5.484 -0.759 103 H ILE 17 H ILE 17 -3.523 4.526 1.565 104 HA ILE 17 HA ILE 17 -2.584 3.667 4.208 105 HB ILE 17 HB ILE 17 -4.613 4.594 5.164 106 1HG1 ILE 17 2HG1 ILE 17 -6.079 4.147 3.154 107 2HG1 ILE 17 1HG1 ILE 17 -6.324 5.709 3.922 108 1HG2 ILE 17 1HG2 ILE 17 -4.271 7.025 4.485 109 2HG2 ILE 17 2HG2 ILE 17 -3.046 6.415 3.372 110 3HG2 ILE 17 3HG2 ILE 17 -2.873 6.149 5.108 111 1HD1 ILE 17 1HD1 ILE 17 -5.583 6.857 2.119 112 2HD1 ILE 17 2HD1 ILE 17 -6.145 5.403 1.294 113 3HD1 ILE 17 3HD1 ILE 17 -4.431 5.606 1.653 114 H SER 18 H SER 18 -2.978 1.951 1.995 115 HA SER 18 HA SER 18 -4.294 -0.197 3.219 116 1HB SER 18 2HB SER 18 -6.146 -0.457 1.507 117 2HB SER 18 1HB SER 18 -6.386 0.831 2.682 118 HG SER 18 HG SER 18 -5.725 2.320 1.126 119 H PHE 19 H PHE 19 -3.921 -2.122 2.123 120 HA PHE 19 HA PHE 19 -2.588 -1.943 -0.487 121 1HB PHE 19 2HB PHE 19 -1.507 -3.665 1.747 122 2HB PHE 19 1HB PHE 19 -0.795 -3.399 0.167 123 HD1 PHE 19 1HD PHE 19 -1.550 -1.760 3.402 124 HD2 PHE 19 2HD PHE 19 0.677 -1.621 -0.222 125 HE1 PHE 19 1HE PHE 19 -0.189 0.077 4.312 126 HE2 PHE 19 2HE PHE 19 2.041 0.215 0.682 127 HZ PHE 19 HZ PHE 19 1.609 1.066 2.952 128 H TYR 20 H TYR 20 -2.228 -4.304 -1.320 129 HA TYR 20 HA TYR 20 -4.820 -5.633 -1.067 130 1HB TYR 20 2HB TYR 20 -2.528 -6.095 -2.988 131 2HB TYR 20 1HB TYR 20 -4.027 -7.013 -2.999 132 HD1 TYR 20 1HD TYR 20 -6.044 -6.082 -3.910 133 HD2 TYR 20 2HD TYR 20 -2.501 -3.741 -3.693 134 HE1 TYR 20 1HE TYR 20 -7.046 -4.434 -5.436 135 HE2 TYR 20 2HE TYR 20 -3.495 -2.084 -5.212 136 HH TYR 20 HH TYR 20 -5.274 -1.505 -6.394 137 H GLY 21 H GLY 21 -1.421 -6.577 -1.114 138 1HA GLY 21 2HA GLY 21 -1.569 -8.204 1.185 139 2HA GLY 21 1HA GLY 21 -1.680 -9.196 -0.268 Start of MODEL 16 1 2H GLY 1 HN2 GLY 1 -7.092 -0.748 -0.104 2 1HA GLY 1 2HA GLY 1 -8.949 -1.249 1.137 3 2HA GLY 1 1HA GLY 1 -9.196 -2.565 0.005 4 H GLY 2 H GLY 2 -6.458 -2.230 2.218 5 1HA GLY 2 2HA GLY 2 -7.290 -3.643 4.396 6 2HA GLY 2 1HA GLY 2 -6.897 -4.883 3.213 7 H ALA 3 H ALA 3 -5.081 -5.743 4.027 8 HA ALA 3 HA ALA 3 -2.763 -3.957 4.293 9 1HB ALA 3 1HB ALA 3 -2.245 -4.656 6.366 10 2HB ALA 3 2HB ALA 3 -2.702 -6.324 6.022 11 3HB ALA 3 3HB ALA 3 -3.938 -5.142 6.453 12 H GLY 4 H GLY 4 -0.854 -4.756 3.468 13 1HA GLY 4 2HA GLY 4 -0.335 -7.441 2.841 14 2HA GLY 4 1HA GLY 4 -1.004 -6.657 1.416 15 H HIS 5 H HIS 5 0.576 -6.191 0.054 16 HA HIS 5 HA HIS 5 3.007 -4.919 1.139 17 1HB HIS 5 2HB HIS 5 2.767 -7.096 -0.919 18 2HB HIS 5 1HB HIS 5 4.144 -6.002 -0.935 19 HD1 HIS 5 1HD HIS 5 4.969 -8.759 -0.513 20 HD2 HIS 5 2HD HIS 5 3.649 -6.429 2.670 21 HE1 HIS 5 1HE HIS 5 5.925 -9.832 1.552 22 HE2 HIS 5 2HE HIS 5 5.082 -8.428 3.468 23 H VAL 6 H VAL 6 0.905 -5.294 -1.702 24 HA VAL 6 HA VAL 6 2.050 -2.904 -2.912 25 HB VAL 6 HB VAL 6 -0.264 -4.567 -3.922 26 1HG1 VAL 6 1HG1 VAL 6 0.429 -2.134 -4.769 27 2HG1 VAL 6 2HG1 VAL 6 -0.179 -3.383 -5.855 28 3HG1 VAL 6 3HG1 VAL 6 1.555 -3.090 -5.732 29 1HG2 VAL 6 1HG2 VAL 6 2.140 -5.641 -3.537 30 2HG2 VAL 6 2HG2 VAL 6 2.442 -4.865 -5.091 31 3HG2 VAL 6 3HG2 VAL 6 1.138 -6.043 -4.932 32 HA PRO 7 HA PRO 7 -0.887 -0.279 -0.851 33 1HB PRO 7 2HB PRO 7 -0.563 1.900 -2.491 34 2HB PRO 7 1HB PRO 7 0.519 1.481 -1.158 35 1HG PRO 7 2HG PRO 7 0.819 0.949 -4.086 36 2HG PRO 7 1HG PRO 7 2.039 1.477 -2.912 37 1HD PRO 7 2HD PRO 7 1.886 -1.073 -3.739 38 2HD PRO 7 1HD PRO 7 2.334 -0.660 -2.072 39 H GLU 8 H GLU 8 -2.996 0.080 -1.017 40 HA GLU 8 HA GLU 8 -4.348 -0.554 -3.515 41 1HB GLU 8 2HB GLU 8 -5.379 -0.030 -0.725 42 2HB GLU 8 1HB GLU 8 -6.422 -0.341 -2.104 43 1HG GLU 8 2HG GLU 8 -5.259 -2.535 -2.375 44 2HG GLU 8 1HG GLU 8 -4.442 -2.215 -0.845 45 H TYR 9 H TYR 9 -5.075 1.899 -1.041 46 HA TYR 9 HA TYR 9 -5.405 3.860 -3.215 47 1HB TYR 9 2HB TYR 9 -7.056 3.573 -0.700 48 2HB TYR 9 1HB TYR 9 -7.172 4.930 -1.810 49 HD1 TYR 9 1HD TYR 9 -7.501 1.210 -1.710 50 HD2 TYR 9 2HD TYR 9 -8.677 4.849 -3.575 51 HE1 TYR 9 1HE TYR 9 -9.163 -0.017 -3.043 52 HE2 TYR 9 2HE TYR 9 -10.344 3.631 -4.911 53 HH TYR 9 HH TYR 9 -10.963 1.532 -5.614 54 H PHE 10 H PHE 10 -4.715 5.913 -2.887 55 HA PHE 10 HA PHE 10 -3.031 6.367 -0.514 56 1HB PHE 10 2HB PHE 10 -2.834 7.729 -3.209 57 2HB PHE 10 1HB PHE 10 -1.738 7.934 -1.857 58 HD1 PHE 10 1HD PHE 10 0.266 6.863 -1.969 59 HD2 PHE 10 2HD PHE 10 -3.064 5.161 -3.997 60 HE1 PHE 10 1HE PHE 10 1.724 5.108 -2.883 61 HE2 PHE 10 2HE PHE 10 -1.613 3.397 -4.908 62 HZ PHE 10 HZ PHE 10 0.786 3.371 -4.353 63 H VAL 11 H VAL 11 -3.130 8.405 0.493 64 HA VAL 11 HA VAL 11 -5.712 9.704 0.253 65 HB VAL 11 HB VAL 11 -4.988 11.072 2.187 66 1HG1 VAL 11 1HG1 VAL 11 -4.834 9.178 3.815 67 2HG1 VAL 11 2HG1 VAL 11 -4.717 8.086 2.436 68 3HG1 VAL 11 3HG1 VAL 11 -6.167 9.062 2.665 69 1HG2 VAL 11 1HG2 VAL 11 -2.426 10.393 1.386 70 2HG2 VAL 11 2HG2 VAL 11 -2.670 9.476 2.873 71 3HG2 VAL 11 3HG2 VAL 11 -2.875 11.227 2.874 72 H GLY 12 H GLY 12 -5.149 12.317 0.913 73 1HA GLY 12 2HA GLY 12 -4.676 13.495 -1.564 74 2HA GLY 12 1HA GLY 12 -4.664 14.346 -0.034 75 H ILE 13 H ILE 13 -2.467 13.061 1.135 76 HA ILE 13 HA ILE 13 -0.339 14.391 -0.314 77 HB ILE 13 HB ILE 13 1.048 13.820 1.716 78 1HG1 ILE 13 2HG1 ILE 13 -1.647 13.007 2.830 79 2HG1 ILE 13 1HG1 ILE 13 -0.322 11.903 2.479 80 1HG2 ILE 13 1HG2 ILE 13 -0.075 15.525 3.131 81 2HG2 ILE 13 2HG2 ILE 13 -1.458 15.461 2.038 82 3HG2 ILE 13 3HG2 ILE 13 0.109 16.011 1.444 83 1HD1 ILE 13 1HD1 ILE 13 0.576 12.278 4.465 84 2HD1 ILE 13 2HD1 ILE 13 -0.844 13.238 4.872 85 3HD1 ILE 13 3HD1 ILE 13 0.582 14.020 4.190 86 H GLY 14 H GLY 14 -1.379 12.000 -1.465 87 1HA GLY 14 2HA GLY 14 -0.697 10.050 -2.459 88 2HA GLY 14 1HA GLY 14 0.897 10.777 -2.409 89 H THR 15 H THR 15 -0.928 9.879 0.462 90 HA THR 15 HA THR 15 1.161 7.894 1.039 91 HB THR 15 HB THR 15 -0.768 9.138 3.008 92 HG1 THR 15 1HG THR 15 1.340 10.251 1.760 93 1HG2 THR 15 1HG2 THR 15 1.738 8.366 4.124 94 2HG2 THR 15 2HG2 THR 15 1.105 7.008 3.193 95 3HG2 THR 15 3HG2 THR 15 0.134 7.726 4.479 96 HA PRO 16 HA PRO 16 -2.093 4.908 0.328 97 1HB PRO 16 2HB PRO 16 -0.612 2.691 0.806 98 2HB PRO 16 1HB PRO 16 -0.499 3.613 -0.695 99 1HG PRO 16 2HG PRO 16 1.303 3.642 1.689 100 2HG PRO 16 1HG PRO 16 1.721 3.697 -0.033 101 1HD PRO 16 2HD PRO 16 1.675 5.899 1.582 102 2HD PRO 16 1HD PRO 16 1.380 5.959 -0.168 103 H ILE 17 H ILE 17 -3.637 4.418 1.737 104 HA ILE 17 HA ILE 17 -2.856 3.739 4.498 105 HB ILE 17 HB ILE 17 -5.154 4.470 5.160 106 1HG1 ILE 17 2HG1 ILE 17 -5.256 5.687 2.390 107 2HG1 ILE 17 1HG1 ILE 17 -6.131 4.233 2.858 108 1HG2 ILE 17 1HG2 ILE 17 -3.615 6.061 5.725 109 2HG2 ILE 17 2HG2 ILE 17 -4.618 6.990 4.610 110 3HG2 ILE 17 3HG2 ILE 17 -3.090 6.306 4.057 111 1HD1 ILE 17 1HD1 ILE 17 -7.108 5.754 4.727 112 2HD1 ILE 17 2HD1 ILE 17 -7.738 5.855 3.083 113 3HD1 ILE 17 3HD1 ILE 17 -6.592 7.063 3.663 114 H SER 18 H SER 18 -2.936 1.920 2.358 115 HA SER 18 HA SER 18 -4.268 -0.245 3.496 116 1HB SER 18 2HB SER 18 -5.975 -0.608 1.627 117 2HB SER 18 1HB SER 18 -6.371 0.635 2.812 118 HG SER 18 HG SER 18 -5.724 2.202 1.346 119 H PHE 19 H PHE 19 -3.758 -2.187 2.429 120 HA PHE 19 HA PHE 19 -2.314 -2.005 -0.112 121 1HB PHE 19 2HB PHE 19 -1.114 -3.450 2.258 122 2HB PHE 19 1HB PHE 19 -0.396 -3.237 0.674 123 HD1 PHE 19 1HD PHE 19 -1.371 -1.444 3.765 124 HD2 PHE 19 2HD PHE 19 0.924 -1.367 0.181 125 HE1 PHE 19 1HE PHE 19 -0.197 0.564 4.564 126 HE2 PHE 19 2HE PHE 19 2.100 0.642 0.974 127 HZ PHE 19 HZ PHE 19 1.541 1.611 3.168 128 H TYR 20 H TYR 20 -1.634 -4.331 -0.752 129 HA TYR 20 HA TYR 20 -3.215 -6.484 0.269 130 1HB TYR 20 2HB TYR 20 -4.405 -6.973 -1.885 131 2HB TYR 20 1HB TYR 20 -4.993 -5.560 -1.042 132 HD1 TYR 20 1HD TYR 20 -6.099 -4.714 -3.006 133 HD2 TYR 20 2HD TYR 20 -1.900 -5.392 -3.044 134 HE1 TYR 20 1HE TYR 20 -5.911 -3.396 -5.069 135 HE2 TYR 20 2HE TYR 20 -1.703 -4.071 -5.105 136 HH TYR 20 HH TYR 20 -3.381 -2.024 -6.147 137 H GLY 21 H GLY 21 -3.109 -8.098 -2.089 138 1HA GLY 21 2HA GLY 21 -0.588 -8.117 -3.316 139 2HA GLY 21 1HA GLY 21 -0.519 -9.133 -1.880 Start of MODEL 17 1 2H GLY 1 HN2 GLY 1 -7.246 -1.048 -0.102 2 1HA GLY 1 2HA GLY 1 -9.276 -1.867 0.703 3 2HA GLY 1 1HA GLY 1 -8.766 -3.490 0.273 4 H GLY 2 H GLY 2 -6.371 -3.685 1.700 5 1HA GLY 2 2HA GLY 2 -7.062 -3.060 4.476 6 2HA GLY 2 1HA GLY 2 -6.929 -4.755 4.044 7 H ALA 3 H ALA 3 -5.045 -5.630 4.511 8 HA ALA 3 HA ALA 3 -2.649 -3.917 4.483 9 1HB ALA 3 1HB ALA 3 -3.605 -4.950 6.718 10 2HB ALA 3 2HB ALA 3 -1.870 -4.857 6.418 11 3HB ALA 3 3HB ALA 3 -2.728 -6.375 6.159 12 H GLY 4 H GLY 4 -0.782 -4.736 3.580 13 1HA GLY 4 2HA GLY 4 -0.371 -7.399 2.791 14 2HA GLY 4 1HA GLY 4 -1.054 -6.515 1.435 15 H HIS 5 H HIS 5 0.440 -5.871 0.065 16 HA HIS 5 HA HIS 5 2.899 -4.665 1.122 17 1HB HIS 5 2HB HIS 5 2.777 -6.836 -0.976 18 2HB HIS 5 1HB HIS 5 4.187 -5.811 -0.731 19 HD1 HIS 5 1HD HIS 5 4.825 -5.836 2.088 20 HD2 HIS 5 2HD HIS 5 3.127 -9.182 0.296 21 HE1 HIS 5 1HE HIS 5 5.400 -7.769 3.590 22 HE2 HIS 5 2HE HIS 5 4.245 -9.756 2.556 23 H VAL 6 H VAL 6 0.819 -5.208 -1.702 24 HA VAL 6 HA VAL 6 1.909 -2.844 -3.012 25 HB VAL 6 HB VAL 6 -0.375 -4.593 -3.946 26 1HG1 VAL 6 1HG1 VAL 6 1.452 -2.762 -5.499 27 2HG1 VAL 6 2HG1 VAL 6 -0.191 -2.364 -4.996 28 3HG1 VAL 6 3HG1 VAL 6 0.087 -3.681 -6.136 29 1HG2 VAL 6 1HG2 VAL 6 2.543 -5.026 -4.015 30 2HG2 VAL 6 2HG2 VAL 6 1.673 -5.346 -5.515 31 3HG2 VAL 6 3HG2 VAL 6 1.220 -6.191 -4.034 32 HA PRO 7 HA PRO 7 -1.069 -0.226 -1.003 33 1HB PRO 7 2HB PRO 7 -0.832 1.902 -2.728 34 2HB PRO 7 1HB PRO 7 0.271 1.564 -1.390 35 1HG PRO 7 2HG PRO 7 0.569 0.938 -4.299 36 2HG PRO 7 1HG PRO 7 1.781 1.537 -3.149 37 1HD PRO 7 2HD PRO 7 1.693 -1.042 -3.892 38 2HD PRO 7 1HD PRO 7 2.138 -0.562 -2.241 39 H GLU 8 H GLU 8 -3.185 0.027 -1.130 40 HA GLU 8 HA GLU 8 -4.570 -0.646 -3.607 41 1HB GLU 8 2HB GLU 8 -5.640 -0.148 -0.818 42 2HB GLU 8 1HB GLU 8 -6.602 -0.668 -2.193 43 1HG GLU 8 2HG GLU 8 -5.188 -2.718 -2.303 44 2HG GLU 8 1HG GLU 8 -4.435 -2.205 -0.794 45 H TYR 9 H TYR 9 -5.406 1.677 -1.060 46 HA TYR 9 HA TYR 9 -5.965 3.668 -3.156 47 1HB TYR 9 2HB TYR 9 -7.130 3.465 -0.371 48 2HB TYR 9 1HB TYR 9 -7.514 4.715 -1.545 49 HD1 TYR 9 1HD TYR 9 -9.320 4.434 -2.975 50 HD2 TYR 9 2HD TYR 9 -7.642 1.010 -1.088 51 HE1 TYR 9 1HE TYR 9 -11.158 3.056 -3.852 52 HE2 TYR 9 2HE TYR 9 -9.471 -0.377 -1.964 53 HH TYR 9 HH TYR 9 -11.938 0.976 -4.112 54 H PHE 10 H PHE 10 -5.149 5.710 -2.972 55 HA PHE 10 HA PHE 10 -3.125 6.085 -0.874 56 1HB PHE 10 2HB PHE 10 -3.255 7.486 -3.545 57 2HB PHE 10 1HB PHE 10 -1.959 7.585 -2.370 58 HD1 PHE 10 1HD PHE 10 -3.748 5.046 -4.451 59 HD2 PHE 10 2HD PHE 10 -0.090 6.301 -2.676 60 HE1 PHE 10 1HE PHE 10 -2.573 3.206 -5.581 61 HE2 PHE 10 2HE PHE 10 1.091 4.462 -3.801 62 HZ PHE 10 HZ PHE 10 -0.150 2.911 -5.257 63 H VAL 11 H VAL 11 -3.026 7.968 0.230 64 HA VAL 11 HA VAL 11 -5.461 9.551 0.336 65 HB VAL 11 HB VAL 11 -2.956 9.805 2.025 66 1HG1 VAL 11 1HG1 VAL 11 -4.613 10.831 3.653 67 2HG1 VAL 11 2HG1 VAL 11 -5.726 10.937 2.289 68 3HG1 VAL 11 3HG1 VAL 11 -4.189 11.798 2.241 69 1HG2 VAL 11 1HG2 VAL 11 -3.891 7.577 2.270 70 2HG2 VAL 11 2HG2 VAL 11 -5.482 8.266 2.596 71 3HG2 VAL 11 3HG2 VAL 11 -4.160 8.526 3.733 72 H GLY 12 H GLY 12 -5.434 11.858 0.109 73 1HA GLY 12 2HA GLY 12 -4.096 12.846 -2.101 74 2HA GLY 12 1HA GLY 12 -4.851 13.845 -0.875 75 H ILE 13 H ILE 13 -2.944 12.619 1.140 76 HA ILE 13 HA ILE 13 -0.855 14.581 0.789 77 HB ILE 13 HB ILE 13 -0.973 12.575 3.036 78 1HG1 ILE 13 2HG1 ILE 13 -3.212 13.592 2.823 79 2HG1 ILE 13 1HG1 ILE 13 -2.397 14.116 4.292 80 1HG2 ILE 13 1HG2 ILE 13 -0.021 15.438 2.977 81 2HG2 ILE 13 2HG2 ILE 13 1.024 14.027 2.807 82 3HG2 ILE 13 3HG2 ILE 13 0.140 14.295 4.311 83 1HD1 ILE 13 1HD1 ILE 13 -3.361 15.667 2.033 84 2HD1 ILE 13 2HD1 ILE 13 -1.700 16.058 2.482 85 3HD1 ILE 13 3HD1 ILE 13 -2.988 16.170 3.682 86 H GLY 14 H GLY 14 -0.922 12.410 -1.088 87 1HA GLY 14 2HA GLY 14 0.454 10.922 -2.154 88 2HA GLY 14 1HA GLY 14 1.749 11.870 -1.449 89 H THR 15 H THR 15 -0.621 9.658 0.068 90 HA THR 15 HA THR 15 1.511 7.769 0.615 91 HB THR 15 HB THR 15 1.802 9.255 2.493 92 HG1 THR 15 1HG THR 15 0.349 6.968 3.384 93 1HG2 THR 15 1HG2 THR 15 -0.392 10.332 2.500 94 2HG2 THR 15 2HG2 THR 15 0.010 9.712 4.101 95 3HG2 THR 15 3HG2 THR 15 -1.131 8.838 3.078 96 HA PRO 16 HA PRO 16 -1.961 5.059 0.027 97 1HB PRO 16 2HB PRO 16 -0.281 2.920 1.096 98 2HB PRO 16 1HB PRO 16 -0.894 3.141 -0.545 99 1HG PRO 16 2HG PRO 16 1.723 3.418 0.082 100 2HG PRO 16 1HG PRO 16 0.944 4.347 -1.210 101 1HD PRO 16 2HD PRO 16 1.633 5.189 1.579 102 2HD PRO 16 1HD PRO 16 1.782 6.095 0.058 103 H ILE 17 H ILE 17 -3.596 4.242 1.282 104 HA ILE 17 HA ILE 17 -3.050 3.988 4.166 105 HB ILE 17 HB ILE 17 -4.314 6.076 3.582 106 1HG1 ILE 17 2HG1 ILE 17 -6.089 5.775 5.300 107 2HG1 ILE 17 1HG1 ILE 17 -5.769 4.042 5.286 108 1HG2 ILE 17 1HG2 ILE 17 -5.969 4.166 2.167 109 2HG2 ILE 17 2HG2 ILE 17 -5.874 5.920 2.011 110 3HG2 ILE 17 3HG2 ILE 17 -6.911 5.199 3.243 111 1HD1 ILE 17 1HD1 ILE 17 -3.537 4.412 6.114 112 2HD1 ILE 17 2HD1 ILE 17 -4.703 5.211 7.167 113 3HD1 ILE 17 3HD1 ILE 17 -3.758 6.157 6.017 114 H SER 18 H SER 18 -3.034 2.026 2.100 115 HA SER 18 HA SER 18 -4.324 -0.099 3.343 116 1HB SER 18 2HB SER 18 -6.020 -0.603 1.484 117 2HB SER 18 1HB SER 18 -6.453 0.671 2.624 118 HG SER 18 HG SER 18 -5.960 2.196 1.111 119 H PHE 19 H PHE 19 -3.816 -2.099 2.344 120 HA PHE 19 HA PHE 19 -2.340 -2.018 -0.178 121 1HB PHE 19 2HB PHE 19 -1.160 -3.335 2.274 122 2HB PHE 19 1HB PHE 19 -0.429 -3.213 0.690 123 HD1 PHE 19 1HD PHE 19 -1.397 -1.267 3.682 124 HD2 PHE 19 2HD PHE 19 0.857 -1.346 0.072 125 HE1 PHE 19 1HE PHE 19 -0.233 0.790 4.366 126 HE2 PHE 19 2HE PHE 19 2.024 0.709 0.751 127 HZ PHE 19 HZ PHE 19 1.478 1.780 2.900 128 H TYR 20 H TYR 20 -1.671 -4.322 -0.751 129 HA TYR 20 HA TYR 20 -3.181 -6.485 0.346 130 1HB TYR 20 2HB TYR 20 -4.398 -7.057 -1.768 131 2HB TYR 20 1HB TYR 20 -5.007 -5.639 -0.950 132 HD1 TYR 20 1HD TYR 20 -6.182 -4.928 -2.943 133 HD2 TYR 20 2HD TYR 20 -1.954 -5.388 -2.989 134 HE1 TYR 20 1HE TYR 20 -6.071 -3.657 -5.043 135 HE2 TYR 20 2HE TYR 20 -1.836 -4.116 -5.087 136 HH TYR 20 HH TYR 20 -3.579 -2.200 -6.177 137 H GLY 21 H GLY 21 -3.079 -8.166 -1.948 138 1HA GLY 21 2HA GLY 21 -0.601 -8.144 -3.255 139 2HA GLY 21 1HA GLY 21 -0.446 -9.101 -1.785 Start of MODEL 18 1 2H GLY 1 HN2 GLY 1 -7.214 -0.928 -0.493 2 1HA GLY 1 2HA GLY 1 -9.032 -1.572 0.740 3 2HA GLY 1 1HA GLY 1 -9.128 -2.952 -0.341 4 H GLY 2 H GLY 2 -6.523 -2.165 1.929 5 1HA GLY 2 2HA GLY 2 -7.189 -3.610 4.129 6 2HA GLY 2 1HA GLY 2 -6.618 -4.831 3.002 7 H ALA 3 H ALA 3 -4.714 -5.415 3.856 8 HA ALA 3 HA ALA 3 -2.610 -3.385 3.935 9 1HB ALA 3 1HB ALA 3 -3.718 -4.639 6.258 10 2HB ALA 3 2HB ALA 3 -2.421 -3.448 6.153 11 3HB ALA 3 3HB ALA 3 -2.049 -5.169 6.049 12 H GLY 4 H GLY 4 -0.628 -4.148 3.263 13 1HA GLY 4 2HA GLY 4 0.188 -6.812 3.176 14 2HA GLY 4 1HA GLY 4 -0.625 -6.467 1.660 15 H HIS 5 H HIS 5 0.711 -5.950 0.085 16 HA HIS 5 HA HIS 5 3.111 -4.374 0.763 17 1HB HIS 5 2HB HIS 5 2.894 -6.858 -0.881 18 2HB HIS 5 1HB HIS 5 4.117 -5.663 -1.298 19 HD1 HIS 5 1HD HIS 5 5.352 -8.164 -0.520 20 HD2 HIS 5 2HD HIS 5 4.104 -5.445 2.368 21 HE1 HIS 5 1HE HIS 5 6.679 -8.715 1.544 22 HE2 HIS 5 2HE HIS 5 5.950 -7.020 3.261 23 H VAL 6 H VAL 6 0.791 -5.173 -1.819 24 HA VAL 6 HA VAL 6 1.778 -2.959 -3.432 25 HB VAL 6 HB VAL 6 -0.585 -4.774 -3.961 26 1HG1 VAL 6 1HG1 VAL 6 0.161 -4.017 -6.386 27 2HG1 VAL 6 2HG1 VAL 6 0.749 -2.610 -5.498 28 3HG1 VAL 6 3HG1 VAL 6 -0.955 -3.056 -5.415 29 1HG2 VAL 6 1HG2 VAL 6 2.120 -5.455 -3.923 30 2HG2 VAL 6 2HG2 VAL 6 1.719 -5.243 -5.628 31 3HG2 VAL 6 3HG2 VAL 6 0.798 -6.377 -4.641 32 HA PRO 7 HA PRO 7 -0.981 -0.132 -1.336 33 1HB PRO 7 2HB PRO 7 -0.669 1.923 -3.142 34 2HB PRO 7 1HB PRO 7 0.428 1.585 -1.800 35 1HG PRO 7 2HG PRO 7 0.675 0.841 -4.684 36 2HG PRO 7 1HG PRO 7 1.923 1.419 -3.564 37 1HD PRO 7 2HD PRO 7 1.711 -1.176 -4.214 38 2HD PRO 7 1HD PRO 7 2.180 -0.662 -2.579 39 H GLU 8 H GLU 8 -3.096 0.120 -1.429 40 HA GLU 8 HA GLU 8 -4.526 -0.476 -3.904 41 1HB GLU 8 2HB GLU 8 -5.507 -0.092 -1.067 42 2HB GLU 8 1HB GLU 8 -6.549 -0.449 -2.435 43 1HG GLU 8 2HG GLU 8 -5.258 -2.564 -2.752 44 2HG GLU 8 1HG GLU 8 -4.435 -2.211 -1.234 45 H TYR 9 H TYR 9 -5.258 1.781 -1.270 46 HA TYR 9 HA TYR 9 -5.721 3.878 -3.287 47 1HB TYR 9 2HB TYR 9 -7.146 3.452 -0.653 48 2HB TYR 9 1HB TYR 9 -7.382 4.841 -1.703 49 HD1 TYR 9 1HD TYR 9 -7.604 1.108 -1.756 50 HD2 TYR 9 2HD TYR 9 -9.087 4.799 -3.265 51 HE1 TYR 9 1HE TYR 9 -9.363 -0.103 -2.970 52 HE2 TYR 9 2HE TYR 9 -10.851 3.596 -4.483 53 HH TYR 9 HH TYR 9 -10.861 0.706 -5.332 54 H PHE 10 H PHE 10 -4.974 5.918 -2.865 55 HA PHE 10 HA PHE 10 -3.067 6.119 -0.639 56 1HB PHE 10 2HB PHE 10 -3.167 7.761 -3.175 57 2HB PHE 10 1HB PHE 10 -1.950 7.876 -1.920 58 HD1 PHE 10 1HD PHE 10 -3.426 5.260 -4.158 59 HD2 PHE 10 2HD PHE 10 0.055 6.873 -2.317 60 HE1 PHE 10 1HE PHE 10 -2.040 3.605 -5.337 61 HE2 PHE 10 2HE PHE 10 1.445 5.219 -3.492 62 HZ PHE 10 HZ PHE 10 0.398 3.583 -5.003 63 H VAL 11 H VAL 11 -3.033 7.937 0.635 64 HA VAL 11 HA VAL 11 -5.572 9.273 0.948 65 HB VAL 11 HB VAL 11 -4.189 8.484 2.884 66 1HG1 VAL 11 1HG1 VAL 11 -1.989 9.041 2.175 67 2HG1 VAL 11 2HG1 VAL 11 -2.340 9.965 3.636 68 3HG1 VAL 11 3HG1 VAL 11 -2.400 10.752 2.059 69 1HG2 VAL 11 1HG2 VAL 11 -4.738 10.290 4.328 70 2HG2 VAL 11 2HG2 VAL 11 -5.970 10.234 3.067 71 3HG2 VAL 11 3HG2 VAL 11 -4.692 11.448 2.999 72 H GLY 12 H GLY 12 -5.581 11.703 1.231 73 1HA GLY 12 2HA GLY 12 -4.667 12.934 -1.150 74 2HA GLY 12 1HA GLY 12 -5.491 13.722 0.174 75 H ILE 13 H ILE 13 -2.398 12.066 0.226 76 HA ILE 13 HA ILE 13 -0.906 14.514 0.198 77 HB ILE 13 HB ILE 13 -1.764 14.386 2.570 78 1HG1 ILE 13 2HG1 ILE 13 1.241 14.287 2.222 79 2HG1 ILE 13 1HG1 ILE 13 0.228 15.698 1.943 80 1HG2 ILE 13 1HG2 ILE 13 -1.718 12.110 3.106 81 2HG2 ILE 13 2HG2 ILE 13 -0.422 12.824 4.064 82 3HG2 ILE 13 3HG2 ILE 13 -0.042 11.931 2.591 83 1HD1 ILE 13 1HD1 ILE 13 -0.361 15.778 4.282 84 2HD1 ILE 13 2HD1 ILE 13 1.392 15.770 4.099 85 3HD1 ILE 13 3HD1 ILE 13 0.550 14.299 4.587 86 H GLY 14 H GLY 14 -1.090 12.008 -1.213 87 1HA GLY 14 2HA GLY 14 0.305 10.541 -2.287 88 2HA GLY 14 1HA GLY 14 1.618 11.571 -1.749 89 H THR 15 H THR 15 -0.639 9.355 -0.081 90 HA THR 15 HA THR 15 1.611 7.686 0.711 91 HB THR 15 HB THR 15 -0.213 8.900 2.804 92 HG1 THR 15 1HG THR 15 2.057 9.862 1.655 93 1HG2 THR 15 1HG2 THR 15 0.869 7.648 4.381 94 2HG2 THR 15 2HG2 THR 15 2.364 7.568 3.450 95 3HG2 THR 15 3HG2 THR 15 0.999 6.543 3.013 96 HA PRO 16 HA PRO 16 -1.691 4.777 -0.077 97 1HB PRO 16 2HB PRO 16 0.142 2.723 0.909 98 2HB PRO 16 1HB PRO 16 -0.504 2.952 -0.718 99 1HG PRO 16 2HG PRO 16 2.096 3.390 -0.104 100 2HG PRO 16 1HG PRO 16 1.242 4.298 -1.364 101 1HD PRO 16 2HD PRO 16 1.909 5.111 1.438 102 2HD PRO 16 1HD PRO 16 1.963 6.069 -0.058 103 H ILE 17 H ILE 17 -3.340 4.353 1.256 104 HA ILE 17 HA ILE 17 -2.722 3.743 4.072 105 HB ILE 17 HB ILE 17 -5.028 4.607 4.584 106 1HG1 ILE 17 2HG1 ILE 17 -4.842 5.709 1.769 107 2HG1 ILE 17 1HG1 ILE 17 -5.924 4.419 2.281 108 1HG2 ILE 17 1HG2 ILE 17 -2.884 5.899 4.861 109 2HG2 ILE 17 2HG2 ILE 17 -4.346 6.873 4.712 110 3HG2 ILE 17 3HG2 ILE 17 -3.260 6.696 3.333 111 1HD1 ILE 17 1HD1 ILE 17 -7.373 6.139 2.428 112 2HD1 ILE 17 2HD1 ILE 17 -6.104 7.331 2.707 113 3HD1 ILE 17 3HD1 ILE 17 -6.651 6.298 4.028 114 H SER 18 H SER 18 -2.840 1.895 1.930 115 HA SER 18 HA SER 18 -4.247 -0.210 3.075 116 1HB SER 18 2HB SER 18 -5.977 -0.525 1.216 117 2HB SER 18 1HB SER 18 -6.328 0.727 2.406 118 HG SER 18 HG SER 18 -5.496 2.259 0.910 119 H PHE 19 H PHE 19 -3.807 -2.184 1.993 120 HA PHE 19 HA PHE 19 -2.432 -2.045 -0.577 121 1HB PHE 19 2HB PHE 19 -1.089 -3.569 1.632 122 2HB PHE 19 1HB PHE 19 -0.437 -3.092 0.082 123 HD1 PHE 19 1HD PHE 19 0.738 -1.086 -0.187 124 HD2 PHE 19 2HD PHE 19 -1.403 -1.816 3.418 125 HE1 PHE 19 1HE PHE 19 1.838 0.851 0.855 126 HE2 PHE 19 2HE PHE 19 -0.312 0.126 4.463 127 HZ PHE 19 HZ PHE 19 1.312 1.462 3.181 128 H TYR 20 H TYR 20 -1.961 -4.227 -1.427 129 HA TYR 20 HA TYR 20 -4.127 -6.083 -0.735 130 1HB TYR 20 2HB TYR 20 -2.273 -6.309 -3.108 131 2HB TYR 20 1HB TYR 20 -3.786 -7.150 -2.853 132 HD1 TYR 20 1HD TYR 20 -5.879 -6.152 -3.440 133 HD2 TYR 20 2HD TYR 20 -2.272 -3.920 -3.768 134 HE1 TYR 20 1HE TYR 20 -7.053 -4.466 -4.790 135 HE2 TYR 20 2HE TYR 20 -3.437 -2.223 -5.110 136 HH TYR 20 HH TYR 20 -5.342 -1.625 -6.074 137 H GLY 21 H GLY 21 -3.560 -8.417 -0.831 138 1HA GLY 21 2HA GLY 21 -0.869 -9.267 -0.507 139 2HA GLY 21 1HA GLY 21 -1.683 -9.147 1.049 Start of MODEL 19 1 2H GLY 1 HN2 GLY 1 -6.989 -0.905 -0.004 2 1HA GLY 1 2HA GLY 1 -8.991 -1.495 0.998 3 2HA GLY 1 1HA GLY 1 -8.792 -3.120 0.371 4 H GLY 2 H GLY 2 -6.339 -3.816 1.528 5 1HA GLY 2 2HA GLY 2 -7.056 -3.737 4.396 6 2HA GLY 2 1HA GLY 2 -6.433 -5.173 3.604 7 H ALA 3 H ALA 3 -4.536 -5.539 4.556 8 HA ALA 3 HA ALA 3 -2.526 -3.401 4.448 9 1HB ALA 3 1HB ALA 3 -2.225 -5.224 6.718 10 2HB ALA 3 2HB ALA 3 -3.662 -4.204 6.798 11 3HB ALA 3 3HB ALA 3 -2.065 -3.469 6.642 12 H GLY 4 H GLY 4 -2.613 -5.100 2.444 13 1HA GLY 4 2HA GLY 4 -1.107 -7.508 2.858 14 2HA GLY 4 1HA GLY 4 -1.561 -6.814 1.311 15 H HIS 5 H HIS 5 0.138 -6.339 0.100 16 HA HIS 5 HA HIS 5 2.554 -5.306 1.442 17 1HB HIS 5 2HB HIS 5 2.318 -7.278 -0.817 18 2HB HIS 5 1HB HIS 5 3.790 -6.344 -0.569 19 HD1 HIS 5 1HD HIS 5 4.278 -9.206 -0.332 20 HD2 HIS 5 2HD HIS 5 2.820 -7.026 2.893 21 HE1 HIS 5 1HE HIS 5 4.857 -10.554 1.711 22 HE2 HIS 5 2HE HIS 5 3.875 -9.264 3.641 23 H VAL 6 H VAL 6 0.870 -5.393 -1.715 24 HA VAL 6 HA VAL 6 2.173 -2.889 -2.434 25 HB VAL 6 HB VAL 6 0.840 -3.167 -4.597 26 1HG1 VAL 6 1HG1 VAL 6 3.288 -3.873 -4.017 27 2HG1 VAL 6 2HG1 VAL 6 2.553 -4.391 -5.534 28 3HG1 VAL 6 3HG1 VAL 6 2.644 -5.507 -4.172 29 1HG2 VAL 6 1HG2 VAL 6 0.021 -5.592 -3.125 30 2HG2 VAL 6 2HG2 VAL 6 0.448 -5.815 -4.821 31 3HG2 VAL 6 3HG2 VAL 6 -0.826 -4.682 -4.374 32 HA PRO 7 HA PRO 7 -1.007 -0.336 -0.798 33 1HB PRO 7 2HB PRO 7 -0.654 1.785 -2.547 34 2HB PRO 7 1HB PRO 7 0.269 1.510 -1.066 35 1HG PRO 7 2HG PRO 7 0.974 0.855 -3.895 36 2HG PRO 7 1HG PRO 7 2.007 1.477 -2.593 37 1HD PRO 7 2HD PRO 7 2.083 -1.097 -3.316 38 2HD PRO 7 1HD PRO 7 2.244 -0.615 -1.614 39 H GLU 8 H GLU 8 -3.090 0.015 -1.078 40 HA GLU 8 HA GLU 8 -4.335 -0.730 -3.613 41 1HB GLU 8 2HB GLU 8 -5.544 -0.128 -0.903 42 2HB GLU 8 1HB GLU 8 -6.447 -0.656 -2.313 43 1HG GLU 8 2HG GLU 8 -5.168 -2.761 -2.300 44 2HG GLU 8 1HG GLU 8 -4.358 -2.226 -0.827 45 H TYR 9 H TYR 9 -5.090 1.728 -1.158 46 HA TYR 9 HA TYR 9 -5.452 3.688 -3.327 47 1HB TYR 9 2HB TYR 9 -7.058 3.409 -0.780 48 2HB TYR 9 1HB TYR 9 -7.193 4.760 -1.896 49 HD1 TYR 9 1HD TYR 9 -8.741 4.674 -3.621 50 HD2 TYR 9 2HD TYR 9 -7.530 1.041 -1.768 51 HE1 TYR 9 1HE TYR 9 -10.452 3.458 -4.899 52 HE2 TYR 9 2HE TYR 9 -9.233 -0.186 -3.046 53 HH TYR 9 HH TYR 9 -10.858 1.136 -5.688 54 H PHE 10 H PHE 10 -4.737 5.754 -2.967 55 HA PHE 10 HA PHE 10 -2.997 6.094 -0.621 56 1HB PHE 10 2HB PHE 10 -2.810 7.538 -3.268 57 2HB PHE 10 1HB PHE 10 -1.686 7.665 -1.929 58 HD1 PHE 10 1HD PHE 10 0.270 6.503 -2.061 59 HD2 PHE 10 2HD PHE 10 -3.116 5.042 -4.184 60 HE1 PHE 10 1HE PHE 10 1.661 4.737 -3.058 61 HE2 PHE 10 2HE PHE 10 -1.733 3.268 -5.178 62 HZ PHE 10 HZ PHE 10 0.659 3.115 -4.616 63 H VAL 11 H VAL 11 -3.032 7.999 0.495 64 HA VAL 11 HA VAL 11 -5.513 9.463 0.475 65 HB VAL 11 HB VAL 11 -3.001 10.012 2.085 66 1HG1 VAL 11 1HG1 VAL 11 -5.859 10.895 2.461 67 2HG1 VAL 11 2HG1 VAL 11 -4.465 11.914 2.100 68 3HG1 VAL 11 3HG1 VAL 11 -4.583 11.104 3.661 69 1HG2 VAL 11 1HG2 VAL 11 -5.137 8.003 2.408 70 2HG2 VAL 11 2HG2 VAL 11 -4.660 8.878 3.863 71 3HG2 VAL 11 3HG2 VAL 11 -3.456 7.974 2.944 72 H GLY 12 H GLY 12 -5.647 11.770 0.134 73 1HA GLY 12 2HA GLY 12 -4.515 12.706 -2.193 74 2HA GLY 12 1HA GLY 12 -5.218 13.737 -0.965 75 H ILE 13 H ILE 13 -3.144 12.810 0.988 76 HA ILE 13 HA ILE 13 -1.144 14.770 0.269 77 HB ILE 13 HB ILE 13 -1.032 13.093 2.763 78 1HG1 ILE 13 2HG1 ILE 13 -2.727 15.574 2.378 79 2HG1 ILE 13 1HG1 ILE 13 -3.362 13.937 2.499 80 1HG2 ILE 13 1HG2 ILE 13 -0.079 15.160 3.709 81 2HG2 ILE 13 2HG2 ILE 13 -0.252 15.944 2.139 82 3HG2 ILE 13 3HG2 ILE 13 0.845 14.576 2.326 83 1HD1 ILE 13 1HD1 ILE 13 -1.824 14.165 4.760 84 2HD1 ILE 13 2HD1 ILE 13 -3.574 14.363 4.669 85 3HD1 ILE 13 3HD1 ILE 13 -2.521 15.775 4.584 86 H GLY 14 H GLY 14 -1.257 12.333 -1.272 87 1HA GLY 14 2HA GLY 14 0.127 10.756 -2.200 88 2HA GLY 14 1HA GLY 14 1.424 11.818 -1.688 89 H THR 15 H THR 15 -0.841 9.695 0.096 90 HA THR 15 HA THR 15 1.449 8.116 1.002 91 HB THR 15 HB THR 15 -0.518 9.321 2.962 92 HG1 THR 15 1HG THR 15 1.623 10.437 1.831 93 1HG2 THR 15 1HG2 THR 15 0.746 8.326 4.674 94 2HG2 THR 15 2HG2 THR 15 2.098 7.980 3.594 95 3HG2 THR 15 3HG2 THR 15 0.598 7.062 3.452 96 HA PRO 16 HA PRO 16 -1.681 5.011 0.180 97 1HB PRO 16 2HB PRO 16 -0.198 2.861 0.956 98 2HB PRO 16 1HB PRO 16 -0.003 3.660 -0.608 99 1HG PRO 16 2HG PRO 16 1.622 3.955 1.884 100 2HG PRO 16 1HG PRO 16 2.164 3.853 0.199 101 1HD PRO 16 2HD PRO 16 1.997 6.202 1.537 102 2HD PRO 16 1HD PRO 16 1.717 6.076 -0.212 103 H ILE 17 H ILE 17 -3.287 4.198 1.433 104 HA ILE 17 HA ILE 17 -2.717 3.778 4.289 105 HB ILE 17 HB ILE 17 -3.866 5.965 3.902 106 1HG1 ILE 17 2HG1 ILE 17 -5.526 3.935 5.415 107 2HG1 ILE 17 1HG1 ILE 17 -4.094 4.744 6.042 108 1HG2 ILE 17 1HG2 ILE 17 -5.430 6.024 2.322 109 2HG2 ILE 17 2HG2 ILE 17 -6.510 5.291 3.506 110 3HG2 ILE 17 3HG2 ILE 17 -5.644 4.274 2.354 111 1HD1 ILE 17 1HD1 ILE 17 -5.333 6.431 6.739 112 2HD1 ILE 17 2HD1 ILE 17 -6.773 5.591 6.162 113 3HD1 ILE 17 3HD1 ILE 17 -5.920 6.713 5.101 114 H SER 18 H SER 18 -2.781 1.907 2.192 115 HA SER 18 HA SER 18 -4.251 -0.172 3.313 116 1HB SER 18 2HB SER 18 -5.907 -0.515 1.402 117 2HB SER 18 1HB SER 18 -6.288 0.786 2.527 118 HG SER 18 HG SER 18 -5.558 2.272 1.037 119 H PHE 19 H PHE 19 -3.815 -2.167 2.274 120 HA PHE 19 HA PHE 19 -2.285 -2.107 -0.215 121 1HB PHE 19 2HB PHE 19 -1.121 -3.615 2.114 122 2HB PHE 19 1HB PHE 19 -0.359 -3.195 0.594 123 HD1 PHE 19 1HD PHE 19 -1.470 -1.838 3.848 124 HD2 PHE 19 2HD PHE 19 0.838 -1.186 0.331 125 HE1 PHE 19 1HE PHE 19 -0.424 0.123 4.901 126 HE2 PHE 19 2HE PHE 19 1.887 0.776 1.379 127 HZ PHE 19 HZ PHE 19 1.256 1.433 3.666 128 H TYR 20 H TYR 20 -1.800 -4.348 -0.959 129 HA TYR 20 HA TYR 20 -3.281 -6.529 0.162 130 1HB TYR 20 2HB TYR 20 -4.674 -6.968 -1.876 131 2HB TYR 20 1HB TYR 20 -5.162 -5.564 -0.959 132 HD1 TYR 20 1HD TYR 20 -2.237 -4.924 -2.945 133 HD2 TYR 20 2HD TYR 20 -6.482 -5.136 -3.096 134 HE1 TYR 20 1HE TYR 20 -2.227 -3.576 -4.998 135 HE2 TYR 20 2HE TYR 20 -6.480 -3.786 -5.149 136 HH TYR 20 HH TYR 20 -3.833 -2.040 -6.196 137 H GLY 21 H GLY 21 -3.392 -7.853 -2.544 138 1HA GLY 21 2HA GLY 21 -0.871 -7.907 -3.740 139 2HA GLY 21 1HA GLY 21 -0.888 -9.111 -2.455 Start of MODEL 20 1 2H GLY 1 HN2 GLY 1 -7.150 -0.859 -0.115 2 1HA GLY 1 2HA GLY 1 -9.191 -1.431 0.866 3 2HA GLY 1 1HA GLY 1 -8.860 -3.118 0.513 4 H GLY 2 H GLY 2 -6.386 -3.429 1.802 5 1HA GLY 2 2HA GLY 2 -6.915 -2.639 4.582 6 2HA GLY 2 1HA GLY 2 -6.807 -4.351 4.208 7 H ALA 3 H ALA 3 -4.914 -5.198 4.691 8 HA ALA 3 HA ALA 3 -2.511 -3.515 4.428 9 1HB ALA 3 1HB ALA 3 -1.580 -4.462 6.344 10 2HB ALA 3 2HB ALA 3 -2.688 -5.834 6.321 11 3HB ALA 3 3HB ALA 3 -3.274 -4.236 6.780 12 H GLY 4 H GLY 4 -0.666 -4.440 3.544 13 1HA GLY 4 2HA GLY 4 -0.365 -7.164 2.911 14 2HA GLY 4 1HA GLY 4 -1.039 -6.329 1.518 15 H HIS 5 H HIS 5 0.472 -5.872 0.087 16 HA HIS 5 HA HIS 5 3.010 -4.733 1.046 17 1HB HIS 5 2HB HIS 5 2.721 -6.886 -1.063 18 2HB HIS 5 1HB HIS 5 4.200 -5.975 -0.781 19 HD1 HIS 5 1HD HIS 5 1.896 -8.379 1.050 20 HD2 HIS 5 2HD HIS 5 5.825 -7.024 1.134 21 HE1 HIS 5 1HE HIS 5 3.057 -9.787 2.780 22 HE2 HIS 5 2HE HIS 5 5.393 -8.852 2.914 23 H VAL 6 H VAL 6 0.923 -5.300 -1.776 24 HA VAL 6 HA VAL 6 2.003 -2.928 -3.076 25 HB VAL 6 HB VAL 6 1.686 -4.762 -4.562 26 1HG1 VAL 6 1HG1 VAL 6 -1.246 -4.944 -4.061 27 2HG1 VAL 6 2HG1 VAL 6 -0.125 -5.775 -2.981 28 3HG1 VAL 6 3HG1 VAL 6 -0.134 -6.152 -4.705 29 1HG2 VAL 6 1HG2 VAL 6 0.592 -3.715 -6.271 30 2HG2 VAL 6 2HG2 VAL 6 0.776 -2.361 -5.157 31 3HG2 VAL 6 3HG2 VAL 6 -0.761 -3.221 -5.253 32 HA PRO 7 HA PRO 7 -0.974 -0.238 -1.215 33 1HB PRO 7 2HB PRO 7 -0.494 1.380 -3.656 34 2HB PRO 7 1HB PRO 7 -0.338 1.830 -1.955 35 1HG PRO 7 2HG PRO 7 1.819 1.399 -3.456 36 2HG PRO 7 1HG PRO 7 1.767 0.889 -1.758 37 1HD PRO 7 2HD PRO 7 1.481 -0.750 -4.241 38 2HD PRO 7 1HD PRO 7 2.294 -1.144 -2.714 39 H GLU 8 H GLU 8 -3.108 0.025 -1.302 40 HA GLU 8 HA GLU 8 -4.552 -0.941 -3.643 41 1HB GLU 8 2HB GLU 8 -5.431 -0.188 -0.856 42 2HB GLU 8 1HB GLU 8 -6.570 -0.578 -2.135 43 1HG GLU 8 2HG GLU 8 -5.451 -2.794 -2.344 44 2HG GLU 8 1HG GLU 8 -4.503 -2.383 -0.915 45 H TYR 9 H TYR 9 -5.247 1.746 -1.414 46 HA TYR 9 HA TYR 9 -5.661 3.467 -3.770 47 1HB TYR 9 2HB TYR 9 -7.295 3.555 -1.230 48 2HB TYR 9 1HB TYR 9 -7.532 4.544 -2.660 49 HD1 TYR 9 1HD TYR 9 -7.779 1.091 -1.346 50 HD2 TYR 9 2HD TYR 9 -8.820 3.762 -4.489 51 HE1 TYR 9 1HE TYR 9 -9.345 -0.579 -2.238 52 HE2 TYR 9 2HE TYR 9 -10.391 2.099 -5.390 53 HH TYR 9 HH TYR 9 -11.008 -0.092 -5.296 54 H PHE 10 H PHE 10 -4.800 5.433 -3.702 55 HA PHE 10 HA PHE 10 -3.103 6.108 -1.433 56 1HB PHE 10 2HB PHE 10 -3.343 7.357 -4.178 57 2HB PHE 10 1HB PHE 10 -2.241 7.913 -2.931 58 HD1 PHE 10 1HD PHE 10 -3.113 4.613 -4.481 59 HD2 PHE 10 2HD PHE 10 -0.069 7.330 -3.269 60 HE1 PHE 10 1HE PHE 10 -1.399 3.041 -5.278 61 HE2 PHE 10 2HE PHE 10 1.650 5.762 -4.065 62 HZ PHE 10 HZ PHE 10 0.987 3.615 -5.071 63 H VAL 11 H VAL 11 -3.156 8.274 -0.531 64 HA VAL 11 HA VAL 11 -5.821 9.506 -0.760 65 HB VAL 11 HB VAL 11 -5.665 10.190 1.593 66 1HG1 VAL 11 1HG1 VAL 11 -5.861 7.436 0.672 67 2HG1 VAL 11 2HG1 VAL 11 -6.897 8.340 1.778 68 3HG1 VAL 11 3HG1 VAL 11 -5.433 7.563 2.379 69 1HG2 VAL 11 1HG2 VAL 11 -3.915 8.940 2.991 70 2HG2 VAL 11 2HG2 VAL 11 -3.385 10.348 2.070 71 3HG2 VAL 11 3HG2 VAL 11 -3.051 8.724 1.469 72 H GLY 12 H GLY 12 -5.563 11.793 0.531 73 1HA GLY 12 2HA GLY 12 -4.122 13.433 -1.247 74 2HA GLY 12 1HA GLY 12 -4.885 13.962 0.241 75 H ILE 13 H ILE 13 -3.105 11.831 1.602 76 HA ILE 13 HA ILE 13 -0.949 13.673 2.147 77 HB ILE 13 HB ILE 13 -1.168 10.931 3.364 78 1HG1 ILE 13 2HG1 ILE 13 -2.664 13.400 4.284 79 2HG1 ILE 13 1HG1 ILE 13 -3.405 12.023 3.477 80 1HG2 ILE 13 1HG2 ILE 13 -0.498 12.844 5.280 81 2HG2 ILE 13 2HG2 ILE 13 0.386 13.324 3.829 82 3HG2 ILE 13 3HG2 ILE 13 0.593 11.702 4.493 83 1HD1 ILE 13 1HD1 ILE 13 -2.613 10.600 5.371 84 2HD1 ILE 13 2HD1 ILE 13 -3.815 11.815 5.804 85 3HD1 ILE 13 3HD1 ILE 13 -2.115 12.079 6.190 86 H GLY 14 H GLY 14 -1.232 12.098 -0.388 87 1HA GLY 14 2HA GLY 14 0.236 11.353 -1.990 88 2HA GLY 14 1HA GLY 14 1.538 11.663 -0.855 89 H THR 15 H THR 15 0.845 9.928 1.189 90 HA THR 15 HA THR 15 1.619 7.410 -0.031 91 HB THR 15 HB THR 15 2.884 8.181 1.907 92 HG1 THR 15 1HG THR 15 1.347 5.932 2.727 93 1HG2 THR 15 1HG2 THR 15 0.285 7.940 3.428 94 2HG2 THR 15 2HG2 THR 15 1.154 9.433 3.076 95 3HG2 THR 15 3HG2 THR 15 1.869 8.230 4.149 96 HA PRO 16 HA PRO 16 -2.447 5.671 0.173 97 1HB PRO 16 2HB PRO 16 -1.784 3.070 -0.162 98 2HB PRO 16 1HB PRO 16 -1.711 4.243 -1.481 99 1HG PRO 16 2HG PRO 16 0.498 3.188 0.239 100 2HG PRO 16 1HG PRO 16 0.479 3.464 -1.512 101 1HD PRO 16 2HD PRO 16 1.622 5.192 0.246 102 2HD PRO 16 1HD PRO 16 0.898 5.713 -1.288 103 H ILE 17 H ILE 17 -3.764 4.868 1.745 104 HA ILE 17 HA ILE 17 -2.456 3.840 4.169 105 HB ILE 17 HB ILE 17 -5.256 4.977 4.074 106 1HG1 ILE 17 2HG1 ILE 17 -2.683 6.444 4.711 107 2HG1 ILE 17 1HG1 ILE 17 -3.685 6.708 3.289 108 1HG2 ILE 17 1HG2 ILE 17 -4.565 5.441 6.533 109 2HG2 ILE 17 2HG2 ILE 17 -3.307 4.243 6.230 110 3HG2 ILE 17 3HG2 ILE 17 -5.006 3.798 6.063 111 1HD1 ILE 17 1HD1 ILE 17 -5.112 8.015 4.399 112 2HD1 ILE 17 2HD1 ILE 17 -3.819 8.141 5.592 113 3HD1 ILE 17 3HD1 ILE 17 -5.119 6.972 5.820 114 H SER 18 H SER 18 -2.895 2.238 1.968 115 HA SER 18 HA SER 18 -4.273 0.059 3.148 116 1HB SER 18 2HB SER 18 -5.937 -0.235 1.273 117 2HB SER 18 1HB SER 18 -6.290 1.085 2.383 118 HG SER 18 HG SER 18 -5.452 2.532 0.857 119 H PHE 19 H PHE 19 -3.754 -1.860 2.209 120 HA PHE 19 HA PHE 19 -2.315 -1.914 -0.332 121 1HB PHE 19 2HB PHE 19 -1.092 -3.146 2.147 122 2HB PHE 19 1HB PHE 19 -0.390 -3.074 0.544 123 HD1 PHE 19 1HD PHE 19 0.888 -1.224 -0.154 124 HD2 PHE 19 2HD PHE 19 -1.274 -1.053 3.509 125 HE1 PHE 19 1HE PHE 19 2.099 0.826 0.463 126 HE2 PHE 19 2HE PHE 19 -0.073 1.002 4.126 127 HZ PHE 19 HZ PHE 19 1.617 1.944 2.602 128 H TYR 20 H TYR 20 -1.687 -4.314 -0.760 129 HA TYR 20 HA TYR 20 -3.314 -6.300 0.516 130 1HB TYR 20 2HB TYR 20 -4.667 -6.946 -1.378 131 2HB TYR 20 1HB TYR 20 -4.970 -5.261 -1.017 132 HD1 TYR 20 1HD TYR 20 -3.691 -3.517 -2.488 133 HD2 TYR 20 2HD TYR 20 -4.177 -7.607 -3.543 134 HE1 TYR 20 1HE TYR 20 -3.290 -2.952 -4.844 135 HE2 TYR 20 2HE TYR 20 -3.767 -7.055 -5.901 136 HH TYR 20 HH TYR 20 -2.730 -5.340 -7.235 137 H GLY 21 H GLY 21 -3.293 -8.135 -1.654 138 1HA GLY 21 2HA GLY 21 -0.779 -8.392 -2.879 139 2HA GLY 21 1HA GLY 21 -0.751 -9.266 -1.352
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