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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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11913 |
1s7p ![]() ![]() |
cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H VAL 11 1HT VAL 11 1.066 8.814 3.897 2 2H VAL 11 2HT VAL 11 1.305 7.881 5.296 3 3H VAL 11 3HT VAL 11 1.728 9.522 5.286 4 HA VAL 11 HA VAL 11 -0.677 8.375 6.044 5 HB VAL 11 HB VAL 11 -0.250 11.316 5.544 6 1HG1 VAL 11 1HG1 VAL 11 -1.638 9.890 7.809 7 2HG1 VAL 11 2HG1 VAL 11 -2.453 10.505 6.371 8 3HG1 VAL 11 3HG1 VAL 11 -1.646 11.621 7.472 9 1HG2 VAL 11 1HG2 VAL 11 1.377 11.501 7.061 10 2HG2 VAL 11 2HG2 VAL 11 1.585 9.758 6.891 11 3HG2 VAL 11 3HG2 VAL 11 0.569 10.404 8.180 12 H GLY 12 H GLY 12 -0.670 7.525 3.538 13 1HA GLY 12 2HA GLY 12 -2.119 7.322 1.755 14 2HA GLY 12 1HA GLY 12 -3.095 8.603 2.454 15 H ILE 13 H ILE 13 -2.106 10.825 2.256 16 HA ILE 13 HA ILE 13 -1.592 11.343 -0.504 17 HB ILE 13 HB ILE 13 -2.890 12.940 0.768 18 1HG1 ILE 13 2HG1 ILE 13 -0.212 14.139 0.025 19 2HG1 ILE 13 1HG1 ILE 13 -1.514 13.784 -1.105 20 1HG2 ILE 13 1HG2 ILE 13 -0.721 14.091 2.338 21 2HG2 ILE 13 2HG2 ILE 13 -1.150 12.452 2.828 22 3HG2 ILE 13 3HG2 ILE 13 -2.382 13.714 2.797 23 1HD1 ILE 13 1HD1 ILE 13 -1.636 15.758 1.163 24 2HD1 ILE 13 2HD1 ILE 13 -2.941 15.404 0.030 25 3HD1 ILE 13 3HD1 ILE 13 -1.447 16.143 -0.548 26 H GLY 14 H GLY 14 0.292 11.677 -1.525 27 1HA GLY 14 2HA GLY 14 2.553 11.769 -1.913 28 2HA GLY 14 1HA GLY 14 2.685 12.569 -0.356 29 H THR 15 H THR 15 1.381 9.376 -0.823 30 HA THR 15 HA THR 15 3.773 8.232 0.450 31 HB THR 15 HB THR 15 0.941 7.329 1.012 32 HG1 THR 15 HG1 THR 15 1.910 9.580 1.781 33 1HG2 THR 15 1HG2 THR 15 3.254 6.875 2.834 34 2HG2 THR 15 2HG2 THR 15 3.138 5.893 1.374 35 3HG2 THR 15 3HG2 THR 15 1.827 5.877 2.553 36 HA PRO 16 HA PRO 16 3.578 5.583 -3.132 37 1HB PRO 16 2HB PRO 16 5.533 3.853 -2.416 38 2HB PRO 16 1HB PRO 16 5.869 5.497 -2.973 39 1HG PRO 16 2HG PRO 16 5.759 4.429 -0.178 40 2HG PRO 16 1HG PRO 16 6.937 5.537 -0.907 41 1HD PRO 16 2HD PRO 16 4.895 6.387 0.664 42 2HD PRO 16 1HD PRO 16 5.558 7.363 -0.662 43 H ILE 17 H ILE 17 1.401 5.045 -1.769 44 HA ILE 17 HA ILE 17 1.234 2.617 -0.372 45 HB ILE 17 HB ILE 17 -0.947 3.774 -2.098 46 1HG1 ILE 17 2HG1 ILE 17 -0.257 4.443 0.773 47 2HG1 ILE 17 1HG1 ILE 17 -0.018 5.510 -0.607 48 1HG2 ILE 17 1HG2 ILE 17 -1.840 1.806 -1.407 49 2HG2 ILE 17 2HG2 ILE 17 -2.227 2.780 0.011 50 3HG2 ILE 17 3HG2 ILE 17 -0.817 1.720 0.027 51 1HD1 ILE 17 1HD1 ILE 17 -2.235 6.003 -0.781 52 2HD1 ILE 17 2HD1 ILE 17 -2.112 5.731 0.957 53 3HD1 ILE 17 3HD1 ILE 17 -2.746 4.462 -0.092 54 H SER 18 H SER 18 0.848 0.567 -0.995 55 HA SER 18 HA SER 18 0.355 -0.197 -3.713 56 1HB SER 18 2HB SER 18 2.599 -1.635 -3.545 57 2HB SER 18 1HB SER 18 2.592 -0.002 -4.210 58 HG SER 18 HG SER 18 3.421 0.782 -2.344 59 H PHE 19 H PHE 19 1.368 -2.859 -3.455 60 HA PHE 19 HA PHE 19 -0.154 -3.852 -1.135 61 1HB PHE 19 2HB PHE 19 -0.286 -4.931 -3.961 62 2HB PHE 19 1HB PHE 19 -1.034 -5.684 -2.561 63 HD1 PHE 19 HD1 PHE 19 -1.040 -2.519 -4.527 64 HD2 PHE 19 HD2 PHE 19 -3.208 -5.163 -1.995 65 HE1 PHE 19 HE1 PHE 19 -3.083 -1.204 -4.911 66 HE2 PHE 19 HE2 PHE 19 -5.254 -3.853 -2.374 67 HZ PHE 19 HZ PHE 19 -5.194 -1.871 -3.833 68 H TYR 20 H TYR 20 0.259 -6.208 -0.752 69 HA TYR 20 HA TYR 20 2.761 -7.280 -1.704 70 1HB TYR 20 2HB TYR 20 3.820 -7.536 0.459 71 2HB TYR 20 1HB TYR 20 3.526 -5.840 0.149 72 HD1 TYR 20 HD1 TYR 20 2.152 -4.548 1.614 73 HD2 TYR 20 HD2 TYR 20 2.395 -8.765 2.103 74 HE1 TYR 20 HE1 TYR 20 1.048 -4.352 3.800 75 HE2 TYR 20 HE2 TYR 20 1.284 -8.582 4.288 76 HH TYR 20 HH TYR 20 0.152 -5.451 5.514 77 H GLY 21 HN GLY 21 3.147 -9.441 -0.804 78 1HA GLY 21 2HA GLY 21 2.429 -11.595 -0.445 79 2HA GLY 21 1HA GLY 21 1.273 -10.895 0.678 80 2H GLY 1 H GLY 1 3.860 -1.400 -1.264 81 1HA GLY 1 2HA GLY 1 6.360 -1.671 -0.952 82 2HA GLY 1 1HA GLY 1 5.996 -3.385 -0.796 83 H GLY 2 H GLY 2 3.967 -3.492 -2.790 84 1HA GLY 2 2HA GLY 2 4.766 -2.460 -5.282 85 2HA GLY 2 1HA GLY 2 5.513 -4.031 -5.063 86 H ALA 3 H ALA 3 4.441 -5.459 -6.147 87 HA ALA 3 HA ALA 3 1.543 -5.267 -6.436 88 1HB ALA 3 1HB ALA 3 1.732 -6.896 -8.166 89 2HB ALA 3 2HB ALA 3 3.378 -7.307 -7.685 90 3HB ALA 3 3HB ALA 3 3.038 -5.736 -8.409 91 H GLY 4 H GLY 4 0.147 -6.618 -5.391 92 1HA GLY 4 2HA GLY 4 0.824 -9.180 -4.420 93 2HA GLY 4 1HA GLY 4 0.961 -8.012 -3.114 94 H HIS 5 H HIS 5 -0.750 -8.613 -1.872 95 HA HIS 5 HA HIS 5 -3.401 -8.320 -3.124 96 1HB HIS 5 2HB HIS 5 -2.617 -10.371 -1.043 97 2HB HIS 5 1HB HIS 5 -4.259 -10.082 -1.602 98 HD1 HIS 5 HD1 HIS 5 -0.902 -11.264 -2.945 99 HD2 HIS 5 HD2 HIS 5 -4.975 -11.529 -3.794 100 HE1 HIS 5 HE1 HIS 5 -1.096 -12.861 -4.880 101 HE2 HIS 5 HE2 HIS 5 -3.569 -13.106 -5.288 102 H VAL 6 H VAL 6 -1.572 -8.231 -0.078 103 HA VAL 6 HA VAL 6 -3.693 -6.717 1.214 104 HB VAL 6 HB VAL 6 -0.953 -7.380 2.308 105 1HG1 VAL 6 1HG1 VAL 6 -3.382 -7.006 3.987 106 2HG1 VAL 6 2HG1 VAL 6 -2.586 -5.580 3.322 107 3HG1 VAL 6 3HG1 VAL 6 -1.688 -6.687 4.361 108 1HG2 VAL 6 1HG2 VAL 6 -2.366 -9.371 1.570 109 2HG2 VAL 6 2HG2 VAL 6 -3.465 -8.927 2.876 110 3HG2 VAL 6 3HG2 VAL 6 -1.796 -9.364 3.239 111 HA PRO 7 HA PRO 7 -1.889 -2.888 -0.174 112 1HB PRO 7 2HB PRO 7 -3.704 -1.572 1.701 113 2HB PRO 7 1HB PRO 7 -3.680 -1.510 -0.062 114 1HG PRO 7 2HG PRO 7 -5.623 -2.783 1.323 115 2HG PRO 7 1HG PRO 7 -5.080 -3.319 -0.277 116 1HD PRO 7 2HD PRO 7 -4.389 -4.409 2.425 117 2HD PRO 7 1HD PRO 7 -4.734 -5.277 0.913 118 H GLU 8 H GLU 8 -0.007 -2.176 0.518 119 HA GLU 8 HA GLU 8 0.560 -2.015 3.375 120 1HB GLU 8 2HB GLU 8 2.894 -1.275 2.227 121 2HB GLU 8 1HB GLU 8 2.460 -2.943 2.570 122 1HG GLU 8 2HG GLU 8 1.686 -3.228 0.287 123 2HG GLU 8 1HG GLU 8 2.070 -1.548 -0.069 124 H TYR 9 H TYR 9 -1.143 -0.236 3.195 125 HA TYR 9 HA TYR 9 -0.211 2.293 2.193 126 1HB TYR 9 2HB TYR 9 -2.325 3.091 3.527 127 2HB TYR 9 1HB TYR 9 -2.501 2.211 2.017 128 HD1 TYR 9 HD1 TYR 9 -4.315 0.810 2.060 129 HD2 TYR 9 HD2 TYR 9 -1.980 1.189 5.595 130 HE1 TYR 9 HE1 TYR 9 -5.751 -0.841 3.178 131 HE2 TYR 9 HE2 TYR 9 -3.408 -0.465 6.722 132 HH TYR 9 HH TYR 9 -5.214 -1.748 6.568 133 H PHE 10 HN PHE 10 0.442 4.057 3.333 134 HA PHE 10 HA PHE 10 0.748 3.890 6.221 135 1HB PHE 10 2HB PHE 10 3.070 4.265 4.312 136 2HB PHE 10 1HB PHE 10 3.144 4.692 6.016 137 HD1 PHE 10 HD1 PHE 10 3.275 2.997 7.719 138 HD2 PHE 10 HD2 PHE 10 3.025 1.942 3.604 139 HE1 PHE 10 HE1 PHE 10 3.980 0.705 8.268 140 HE2 PHE 10 HE2 PHE 10 3.723 -0.354 4.146 141 HZ PHE 10 HZ PHE 10 4.202 -0.975 6.481 Start of MODEL 2 1 1H VAL 11 1HT VAL 11 -3.829 7.369 2.220 2 2H VAL 11 2HT VAL 11 -3.531 8.966 1.729 3 3H VAL 11 3HT VAL 11 -2.520 8.231 2.869 4 HA VAL 11 HA VAL 11 -1.433 6.972 1.361 5 HB VAL 11 HB VAL 11 -3.402 5.858 0.447 6 1HG1 VAL 11 1HG1 VAL 11 -4.373 8.344 -0.099 7 2HG1 VAL 11 2HG1 VAL 11 -5.040 6.835 -0.721 8 3HG1 VAL 11 3HG1 VAL 11 -3.915 7.773 -1.703 9 1HG2 VAL 11 1HG2 VAL 11 -1.761 5.171 -0.927 10 2HG2 VAL 11 2HG2 VAL 11 -1.215 6.813 -1.268 11 3HG2 VAL 11 3HG2 VAL 11 -2.609 6.153 -2.122 12 H GLY 12 H GLY 12 0.210 7.823 0.223 13 1HA GLY 12 2HA GLY 12 1.396 9.302 -1.108 14 2HA GLY 12 1HA GLY 12 -0.114 10.104 -1.516 15 H ILE 13 H ILE 13 -1.126 11.135 0.570 16 HA ILE 13 HA ILE 13 0.928 12.922 1.635 17 HB ILE 13 HB ILE 13 -0.916 14.083 0.621 18 1HG1 ILE 13 2HG1 ILE 13 -1.195 14.229 3.632 19 2HG1 ILE 13 1HG1 ILE 13 0.034 15.059 2.684 20 1HG2 ILE 13 1HG2 ILE 13 -3.237 13.852 1.558 21 2HG2 ILE 13 2HG2 ILE 13 -2.672 12.406 2.396 22 3HG2 ILE 13 3HG2 ILE 13 -2.649 12.469 0.634 23 1HD1 ILE 13 1HD1 ILE 13 -2.607 15.651 1.697 24 2HD1 ILE 13 2HD1 ILE 13 -1.340 16.742 2.257 25 3HD1 ILE 13 3HD1 ILE 13 -2.461 16.025 3.415 26 H GLY 14 H GLY 14 1.624 12.724 3.654 27 1HA GLY 14 2HA GLY 14 1.634 12.251 5.916 28 2HA GLY 14 1HA GLY 14 -0.058 11.813 5.802 29 H THR 15 H THR 15 -0.383 9.733 4.476 30 HA THR 15 HA THR 15 1.402 7.722 5.627 31 HB THR 15 HB THR 15 -0.434 6.114 4.963 32 HG1 THR 15 HG1 THR 15 -2.230 6.846 4.079 33 1HG2 THR 15 1HG2 THR 15 -0.482 8.151 7.062 34 2HG2 THR 15 2HG2 THR 15 -0.713 6.405 7.170 35 3HG2 THR 15 3HG2 THR 15 -2.062 7.447 6.718 36 HA PRO 16 HA PRO 16 3.142 7.029 1.608 37 1HB PRO 16 2HB PRO 16 4.557 4.801 2.171 38 2HB PRO 16 1HB PRO 16 5.026 6.397 2.767 39 1HG PRO 16 2HG PRO 16 3.577 4.195 4.184 40 2HG PRO 16 1HG PRO 16 4.878 5.243 4.779 41 1HD PRO 16 2HD PRO 16 2.244 5.649 5.356 42 2HD PRO 16 1HD PRO 16 3.438 6.960 5.272 43 H ILE 17 H ILE 17 3.743 3.987 1.372 44 HA ILE 17 HA ILE 17 1.219 2.730 0.958 45 HB ILE 17 HB ILE 17 1.134 4.174 -0.982 46 1HG1 ILE 17 2HG1 ILE 17 1.856 1.357 -1.806 47 2HG1 ILE 17 1HG1 ILE 17 0.274 1.885 -1.241 48 1HG2 ILE 17 1HG2 ILE 17 3.803 3.016 -1.764 49 2HG2 ILE 17 2HG2 ILE 17 3.506 4.664 -1.208 50 3HG2 ILE 17 3HG2 ILE 17 2.830 4.115 -2.742 51 1HD1 ILE 17 1HD1 ILE 17 -0.197 2.999 -3.195 52 2HD1 ILE 17 2HD1 ILE 17 0.738 1.623 -3.780 53 3HD1 ILE 17 3HD1 ILE 17 1.504 3.203 -3.615 54 H SER 18 H SER 18 1.459 0.546 0.280 55 HA SER 18 HA SER 18 4.073 -0.556 -0.182 56 1HB SER 18 2HB SER 18 3.713 -2.132 1.884 57 2HB SER 18 1HB SER 18 4.434 -0.541 2.112 58 HG SER 18 HG SER 18 2.538 0.216 2.916 59 H PHE 19 H PHE 19 3.644 -3.198 0.351 60 HA PHE 19 HA PHE 19 1.100 -3.891 -0.958 61 1HB PHE 19 2HB PHE 19 3.815 -4.914 -1.832 62 2HB PHE 19 1HB PHE 19 2.268 -5.455 -2.465 63 HD1 PHE 19 HD1 PHE 19 1.298 -4.388 -4.286 64 HD2 PHE 19 HD2 PHE 19 4.471 -2.473 -2.196 65 HE1 PHE 19 HE1 PHE 19 1.423 -2.678 -6.049 66 HE2 PHE 19 HE2 PHE 19 4.596 -0.754 -3.951 67 HZ PHE 19 HZ PHE 19 3.071 -0.856 -5.882 68 H TYR 20 H TYR 20 0.887 -6.347 -1.031 69 HA TYR 20 HA TYR 20 2.240 -7.818 1.044 70 1HB TYR 20 2HB TYR 20 0.267 -8.412 2.329 71 2HB TYR 20 1HB TYR 20 0.500 -6.678 2.360 72 HD1 TYR 20 HD1 TYR 20 -1.163 -5.200 1.485 73 HD2 TYR 20 HD2 TYR 20 -1.567 -9.401 0.964 74 HE1 TYR 20 HE1 TYR 20 -3.493 -4.882 0.775 75 HE2 TYR 20 HE2 TYR 20 -3.897 -9.093 0.245 76 HH TYR 20 HH TYR 20 -5.304 -5.854 -0.079 77 H GLY 21 HN GLY 21 1.480 -10.065 1.121 78 1HA GLY 21 2HA GLY 21 1.067 -12.058 0.053 79 2HA GLY 21 1HA GLY 21 -0.235 -11.212 -0.771 80 2H GLY 1 H GLY 1 1.776 -2.176 3.315 81 1HA GLY 1 2HA GLY 1 1.833 -2.882 5.725 82 2HA GLY 1 1HA GLY 1 1.638 -4.519 5.111 83 H GLY 2 H GLY 2 3.343 -4.280 2.860 84 1HA GLY 2 2HA GLY 2 5.922 -3.324 3.526 85 2HA GLY 2 1HA GLY 2 5.795 -5.020 3.952 86 H ALA 3 H ALA 3 6.765 -6.151 2.478 87 HA ALA 3 HA ALA 3 6.637 -5.368 -0.333 88 1HB ALA 3 1HB ALA 3 8.492 -6.926 1.314 89 2HB ALA 3 2HB ALA 3 8.788 -5.997 -0.156 90 3HB ALA 3 3HB ALA 3 8.159 -7.641 -0.263 91 H GLY 4 H GLY 4 5.450 -6.482 -1.823 92 1HA GLY 4 2HA GLY 4 4.657 -9.175 -1.548 93 2HA GLY 4 1HA GLY 4 3.351 -8.131 -1.009 94 H HIS 5 H HIS 5 1.897 -8.457 -2.626 95 HA HIS 5 HA HIS 5 2.753 -7.573 -5.302 96 1HB HIS 5 2HB HIS 5 0.886 -9.873 -4.690 97 2HB HIS 5 1HB HIS 5 1.193 -9.228 -6.297 98 HD1 HIS 5 HD1 HIS 5 3.026 -10.978 -3.465 99 HD2 HIS 5 HD2 HIS 5 3.343 -10.322 -7.568 100 HE1 HIS 5 HE1 HIS 5 4.988 -12.357 -4.229 101 HE2 HIS 5 HE2 HIS 5 5.239 -11.842 -6.682 102 H VAL 6 H VAL 6 0.001 -8.034 -3.101 103 HA VAL 6 HA VAL 6 -1.656 -6.253 -4.685 104 HB VAL 6 HB VAL 6 -2.266 -7.408 -1.958 105 1HG1 VAL 6 1HG1 VAL 6 -4.431 -6.726 -2.241 106 2HG1 VAL 6 2HG1 VAL 6 -4.329 -6.757 -4.002 107 3HG1 VAL 6 3HG1 VAL 6 -3.588 -5.435 -3.099 108 1HG2 VAL 6 1HG2 VAL 6 -2.577 -9.415 -2.856 109 2HG2 VAL 6 2HG2 VAL 6 -1.915 -8.811 -4.375 110 3HG2 VAL 6 3HG2 VAL 6 -3.652 -8.737 -4.079 111 HA PRO 7 HA PRO 7 -0.062 -2.696 -2.531 112 1HB PRO 7 2HB PRO 7 -1.821 -0.879 -3.547 113 2HB PRO 7 1HB PRO 7 -0.423 -1.490 -4.437 114 1HG PRO 7 2HG PRO 7 -3.292 -2.312 -4.616 115 2HG PRO 7 1HG PRO 7 -2.109 -2.077 -5.916 116 1HD PRO 7 2HD PRO 7 -2.782 -4.526 -4.977 117 2HD PRO 7 1HD PRO 7 -1.163 -4.152 -5.601 118 H GLU 8 H GLU 8 -0.409 -2.245 -0.487 119 HA GLU 8 HA GLU 8 -3.158 -2.216 0.551 120 1HB GLU 8 2HB GLU 8 -1.792 -2.238 2.814 121 2HB GLU 8 1HB GLU 8 -2.097 -3.723 1.925 122 1HG GLU 8 2HG GLU 8 0.101 -3.707 1.006 123 2HG GLU 8 1HG GLU 8 0.421 -2.104 1.655 124 H TYR 9 H TYR 9 -2.884 -0.063 -0.739 125 HA TYR 9 HA TYR 9 -1.589 2.039 0.735 126 1HB TYR 9 2HB TYR 9 -2.826 3.496 -1.017 127 2HB TYR 9 1HB TYR 9 -1.500 2.470 -1.538 128 HD1 TYR 9 HD1 TYR 9 -5.166 1.871 -0.971 129 HD2 TYR 9 HD2 TYR 9 -1.870 1.666 -3.652 130 HE1 TYR 9 HE1 TYR 9 -6.619 0.851 -2.671 131 HE2 TYR 9 HE2 TYR 9 -3.313 0.645 -5.357 132 HH TYR 9 HH TYR 9 -6.780 0.177 -4.794 133 H PHE 10 HN PHE 10 -2.546 3.743 1.783 134 HA PHE 10 HA PHE 10 -5.383 3.924 2.144 135 1HB PHE 10 2HB PHE 10 -4.807 2.096 3.732 136 2HB PHE 10 1HB PHE 10 -3.652 3.166 4.518 137 HD1 PHE 10 HD1 PHE 10 -7.169 3.646 3.357 138 HD2 PHE 10 HD2 PHE 10 -4.419 3.724 6.605 139 HE1 PHE 10 HE1 PHE 10 -8.949 4.476 4.839 140 HE2 PHE 10 HE2 PHE 10 -6.195 4.553 8.093 141 HZ PHE 10 HZ PHE 10 -8.463 4.930 7.210 Start of MODEL 3 1 1H VAL 11 1HT VAL 11 -5.443 7.941 1.175 2 2H VAL 11 2HT VAL 11 -6.078 7.799 -0.386 3 3H VAL 11 3HT VAL 11 -6.109 9.298 0.414 4 HA VAL 11 HA VAL 11 -3.526 8.025 0.055 5 HB VAL 11 HB VAL 11 -4.532 7.704 -2.143 6 1HG1 VAL 11 1HG1 VAL 11 -6.267 9.209 -2.373 7 2HG1 VAL 11 2HG1 VAL 11 -5.046 9.881 -3.454 8 3HG1 VAL 11 3HG1 VAL 11 -5.288 10.580 -1.852 9 1HG2 VAL 11 1HG2 VAL 11 -2.205 9.285 -1.624 10 2HG2 VAL 11 2HG2 VAL 11 -2.944 9.801 -3.141 11 3HG2 VAL 11 3HG2 VAL 11 -2.492 8.112 -2.910 12 H GLY 12 H GLY 12 -1.956 9.423 0.567 13 1HA GLY 12 2HA GLY 12 -2.102 12.232 0.309 14 2HA GLY 12 1HA GLY 12 -2.502 11.767 1.959 15 H ILE 13 H ILE 13 -0.124 13.144 0.634 16 HA ILE 13 HA ILE 13 2.115 11.443 0.858 17 HB ILE 13 HB ILE 13 2.036 14.451 1.177 18 1HG1 ILE 13 2HG1 ILE 13 2.502 12.773 -1.301 19 2HG1 ILE 13 1HG1 ILE 13 1.031 13.671 -0.948 20 1HG2 ILE 13 1HG2 ILE 13 4.202 14.236 1.653 21 2HG2 ILE 13 2HG2 ILE 13 4.433 13.682 -0.006 22 3HG2 ILE 13 3HG2 ILE 13 4.177 12.510 1.288 23 1HD1 ILE 13 1HD1 ILE 13 3.459 14.561 -2.178 24 2HD1 ILE 13 2HD1 ILE 13 3.111 15.524 -0.742 25 3HD1 ILE 13 3HD1 ILE 13 1.909 15.388 -2.026 26 H GLY 14 H GLY 14 2.669 10.433 2.660 27 1HA GLY 14 2HA GLY 14 3.807 11.299 4.864 28 2HA GLY 14 1HA GLY 14 2.134 11.661 5.255 29 H THR 15 H THR 15 0.966 9.448 3.995 30 HA THR 15 HA THR 15 1.364 7.469 6.037 31 HB THR 15 HB THR 15 -0.299 7.014 3.578 32 HG1 THR 15 HG1 THR 15 -0.668 8.936 5.583 33 1HG2 THR 15 1HG2 THR 15 0.115 5.557 5.871 34 2HG2 THR 15 2HG2 THR 15 -1.276 5.399 4.798 35 3HG2 THR 15 3HG2 THR 15 -1.380 6.422 6.231 36 HA PRO 16 HA PRO 16 4.486 5.252 3.724 37 1HB PRO 16 2HB PRO 16 4.086 3.126 5.707 38 2HB PRO 16 1HB PRO 16 5.525 4.094 5.381 39 1HG PRO 16 2HG PRO 16 4.071 4.405 7.628 40 2HG PRO 16 1HG PRO 16 4.897 5.762 6.840 41 1HD PRO 16 2HD PRO 16 2.004 4.988 6.742 42 2HD PRO 16 1HD PRO 16 2.735 6.602 6.885 43 H ILE 17 H ILE 17 3.930 4.286 1.886 44 HA ILE 17 HA ILE 17 1.592 2.642 1.665 45 HB ILE 17 HB ILE 17 2.240 2.345 -0.689 46 1HG1 ILE 17 2HG1 ILE 17 4.623 4.093 -0.035 47 2HG1 ILE 17 1HG1 ILE 17 4.715 2.352 -0.278 48 1HG2 ILE 17 1HG2 ILE 17 2.167 5.093 0.496 49 2HG2 ILE 17 2HG2 ILE 17 0.902 4.214 -0.364 50 3HG2 ILE 17 3HG2 ILE 17 2.283 4.863 -1.249 51 1HD1 ILE 17 1HD1 ILE 17 5.377 3.342 -2.304 52 2HD1 ILE 17 2HD1 ILE 17 4.020 4.468 -2.286 53 3HD1 ILE 17 3HD1 ILE 17 3.737 2.750 -2.568 54 H SER 18 H SER 18 1.512 0.439 1.146 55 HA SER 18 HA SER 18 3.929 -1.124 1.135 56 1HB SER 18 2HB SER 18 2.900 -2.574 3.054 57 2HB SER 18 1HB SER 18 3.835 -1.138 3.450 58 HG SER 18 HG SER 18 1.998 -0.053 3.929 59 H PHE 19 H PHE 19 3.210 -3.574 1.246 60 HA PHE 19 HA PHE 19 0.726 -3.935 -0.292 61 1HB PHE 19 2HB PHE 19 3.395 -5.147 -1.054 62 2HB PHE 19 1HB PHE 19 1.865 -5.409 -1.877 63 HD1 PHE 19 HD1 PHE 19 1.189 -4.005 -3.609 64 HD2 PHE 19 HD2 PHE 19 4.393 -2.810 -1.077 65 HE1 PHE 19 HE1 PHE 19 1.690 -2.138 -5.130 66 HE2 PHE 19 HE2 PHE 19 4.894 -0.935 -2.589 67 HZ PHE 19 HZ PHE 19 3.541 -0.598 -4.619 68 H TYR 20 H TYR 20 0.402 -6.367 -0.644 69 HA TYR 20 HA TYR 20 1.426 -8.079 1.441 70 1HB TYR 20 2HB TYR 20 -0.755 -8.705 2.350 71 2HB TYR 20 1HB TYR 20 -0.424 -7.010 2.629 72 HD1 TYR 20 HD1 TYR 20 -2.375 -9.361 0.529 73 HD2 TYR 20 HD2 TYR 20 -1.902 -5.339 1.823 74 HE1 TYR 20 HE1 TYR 20 -4.544 -8.789 -0.476 75 HE2 TYR 20 HE2 TYR 20 -4.068 -4.756 0.822 76 HH TYR 20 HH TYR 20 -5.641 -5.486 -0.712 77 H GLY 21 HN GLY 21 0.671 -10.283 1.185 78 1HA GLY 21 2HA GLY 21 0.427 -12.156 -0.122 79 2HA GLY 21 1HA GLY 21 -0.846 -11.256 -0.932 80 2H GLY 1 H GLY 1 0.959 -2.480 4.098 81 1HA GLY 1 2HA GLY 1 0.819 -3.388 6.416 82 2HA GLY 1 1HA GLY 1 0.612 -4.964 5.666 83 H GLY 2 H GLY 2 2.541 -4.763 3.632 84 1HA GLY 2 2HA GLY 2 5.076 -3.929 4.581 85 2HA GLY 2 1HA GLY 2 4.834 -5.623 4.961 86 H ALA 3 H ALA 3 5.926 -6.765 3.585 87 HA ALA 3 HA ALA 3 6.242 -5.923 0.822 88 1HB ALA 3 1HB ALA 3 7.692 -7.630 2.651 89 2HB ALA 3 2HB ALA 3 8.229 -6.883 1.147 90 3HB ALA 3 3HB ALA 3 7.402 -8.440 1.112 91 H GLY 4 H GLY 4 5.172 -6.807 -0.877 92 1HA GLY 4 2HA GLY 4 4.056 -9.387 -0.934 93 2HA GLY 4 1HA GLY 4 2.802 -8.241 -0.480 94 H HIS 5 H HIS 5 1.578 -8.354 -2.328 95 HA HIS 5 HA HIS 5 2.875 -7.259 -4.733 96 1HB HIS 5 2HB HIS 5 0.812 -9.473 -4.757 97 2HB HIS 5 1HB HIS 5 1.575 -8.745 -6.166 98 HD1 HIS 5 HD1 HIS 5 4.504 -8.850 -5.434 99 HD2 HIS 5 HD2 HIS 5 1.868 -11.954 -4.628 100 HE1 HIS 5 HE1 HIS 5 5.931 -10.909 -5.239 101 HE2 HIS 5 HE2 HIS 5 4.333 -12.702 -4.483 102 H VAL 6 H VAL 6 -0.171 -7.806 -3.001 103 HA VAL 6 HA VAL 6 -1.519 -5.799 -4.622 104 HB VAL 6 HB VAL 6 -2.590 -7.250 -2.195 105 1HG1 VAL 6 1HG1 VAL 6 -4.778 -6.780 -3.447 106 2HG1 VAL 6 2HG1 VAL 6 -3.840 -5.604 -4.369 107 3HG1 VAL 6 3HG1 VAL 6 -3.994 -5.433 -2.620 108 1HG2 VAL 6 1HG2 VAL 6 -3.475 -8.148 -4.841 109 2HG2 VAL 6 2HG2 VAL 6 -3.054 -9.082 -3.406 110 3HG2 VAL 6 3HG2 VAL 6 -1.784 -8.495 -4.480 111 HA PRO 7 HA PRO 7 -0.241 -2.546 -1.852 112 1HB PRO 7 2HB PRO 7 -1.943 -0.627 -2.807 113 2HB PRO 7 1HB PRO 7 -0.422 -1.072 -3.588 114 1HG PRO 7 2HG PRO 7 -3.212 -1.928 -4.243 115 2HG PRO 7 1HG PRO 7 -1.890 -1.483 -5.337 116 1HD PRO 7 2HD PRO 7 -2.560 -4.053 -4.865 117 2HD PRO 7 1HD PRO 7 -0.883 -3.554 -5.168 118 H GLU 8 H GLU 8 -0.854 -2.035 0.146 119 HA GLU 8 HA GLU 8 -3.684 -2.403 0.854 120 1HB GLU 8 2HB GLU 8 -2.478 -2.388 3.268 121 2HB GLU 8 1HB GLU 8 -2.774 -3.847 2.336 122 1HG GLU 8 2HG GLU 8 -0.522 -3.822 1.495 123 2HG GLU 8 1HG GLU 8 -0.203 -2.284 2.286 124 H TYR 9 H TYR 9 -3.429 -0.132 -0.272 125 HA TYR 9 HA TYR 9 -3.911 1.770 1.809 126 1HB TYR 9 2HB TYR 9 -1.454 1.912 1.638 127 2HB TYR 9 1HB TYR 9 -1.593 2.298 -0.070 128 HD1 TYR 9 HD1 TYR 9 -1.091 4.516 -0.469 129 HD2 TYR 9 HD2 TYR 9 -3.267 3.520 3.049 130 HE1 TYR 9 HE1 TYR 9 -1.249 6.903 0.104 131 HE2 TYR 9 HE2 TYR 9 -3.432 5.902 3.630 132 HH TYR 9 HH TYR 9 -2.066 8.027 3.107 133 H PHE 10 HN PHE 10 -4.784 3.737 1.003 134 HA PHE 10 HA PHE 10 -5.362 4.065 -1.788 135 1HB PHE 10 2HB PHE 10 -7.037 2.330 -1.070 136 2HB PHE 10 1HB PHE 10 -7.671 3.488 0.093 137 HD1 PHE 10 HD1 PHE 10 -6.670 3.774 -3.493 138 HD2 PHE 10 HD2 PHE 10 -9.738 4.211 -0.577 139 HE1 PHE 10 HE1 PHE 10 -8.174 4.679 -5.217 140 HE2 PHE 10 HE2 PHE 10 -11.248 5.115 -2.296 141 HZ PHE 10 HZ PHE 10 -10.467 5.350 -4.619 Start of MODEL 4 1 1H VAL 11 1HT VAL 11 -4.950 7.599 2.090 2 2H VAL 11 2HT VAL 11 -4.957 8.661 3.408 3 3H VAL 11 3HT VAL 11 -3.571 8.524 2.451 4 HA VAL 11 HA VAL 11 -5.246 9.211 0.571 5 HB VAL 11 HB VAL 11 -6.732 11.014 1.434 6 1HG1 VAL 11 1HG1 VAL 11 -8.224 9.170 2.755 7 2HG1 VAL 11 2HG1 VAL 11 -7.104 8.136 1.867 8 3HG1 VAL 11 3HG1 VAL 11 -8.111 9.296 1.000 9 1HG2 VAL 11 1HG2 VAL 11 -6.421 9.794 4.161 10 2HG2 VAL 11 2HG2 VAL 11 -7.203 11.310 3.710 11 3HG2 VAL 11 3HG2 VAL 11 -5.446 11.170 3.646 12 H GLY 12 H GLY 12 -4.503 11.056 -0.441 13 1HA GLY 12 2HA GLY 12 -3.396 13.128 -0.582 14 2HA GLY 12 1HA GLY 12 -2.888 12.944 1.092 15 H ILE 13 H ILE 13 -0.834 12.412 1.436 16 HA ILE 13 HA ILE 13 1.000 12.087 -0.670 17 HB ILE 13 HB ILE 13 1.744 12.993 1.434 18 1HG1 ILE 13 2HG1 ILE 13 3.036 10.294 0.974 19 2HG1 ILE 13 1HG1 ILE 13 3.401 11.764 0.077 20 1HG2 ILE 13 1HG2 ILE 13 1.670 11.932 3.501 21 2HG2 ILE 13 2HG2 ILE 13 1.446 10.336 2.784 22 3HG2 ILE 13 3HG2 ILE 13 0.125 11.504 2.765 23 1HD1 ILE 13 1HD1 ILE 13 4.520 12.720 1.848 24 2HD1 ILE 13 2HD1 ILE 13 4.944 11.016 2.014 25 3HD1 ILE 13 3HD1 ILE 13 3.698 11.719 3.045 26 H GLY 14 H GLY 14 1.737 10.346 -1.727 27 1HA GLY 14 2HA GLY 14 0.381 7.915 -1.691 28 2HA GLY 14 1HA GLY 14 1.938 8.179 -2.448 29 H THR 15 H THR 15 3.541 8.688 -0.347 30 HA THR 15 HA THR 15 4.740 7.792 1.370 31 HB THR 15 HB THR 15 2.338 6.049 1.956 32 HG1 THR 15 HG1 THR 15 1.536 8.075 2.098 33 1HG2 THR 15 1HG2 THR 15 3.204 6.124 4.268 34 2HG2 THR 15 2HG2 THR 15 4.602 7.035 3.699 35 3HG2 THR 15 3HG2 THR 15 4.349 5.377 3.154 36 HA PRO 16 HA PRO 16 6.455 4.258 -0.760 37 1HB PRO 16 2HB PRO 16 8.413 4.087 1.399 38 2HB PRO 16 1HB PRO 16 8.655 4.543 -0.288 39 1HG PRO 16 2HG PRO 16 8.864 6.317 1.744 40 2HG PRO 16 1HG PRO 16 8.301 6.775 0.127 41 1HD PRO 16 2HD PRO 16 6.704 6.228 2.605 42 2HD PRO 16 1HD PRO 16 6.504 7.517 1.397 43 H ILE 17 H ILE 17 4.262 3.472 0.518 44 HA ILE 17 HA ILE 17 4.790 1.601 2.630 45 HB ILE 17 HB ILE 17 2.340 0.925 2.102 46 1HG1 ILE 17 2HG1 ILE 17 1.131 2.983 1.117 47 2HG1 ILE 17 1HG1 ILE 17 2.696 3.417 0.443 48 1HG2 ILE 17 1HG2 ILE 17 2.925 2.113 4.081 49 2HG2 ILE 17 2HG2 ILE 17 1.535 2.926 3.361 50 3HG2 ILE 17 3HG2 ILE 17 3.149 3.614 3.183 51 1HD1 ILE 17 1HD1 ILE 17 2.701 1.128 -0.637 52 2HD1 ILE 17 2HD1 ILE 17 1.545 2.304 -1.263 53 3HD1 ILE 17 3HD1 ILE 17 1.001 1.025 -0.177 54 H SER 18 H SER 18 4.274 -0.664 2.533 55 HA SER 18 HA SER 18 5.286 -1.870 0.100 56 1HB SER 18 2HB SER 18 5.007 -3.965 1.697 57 2HB SER 18 1HB SER 18 6.350 -2.838 1.894 58 HG SER 18 HG SER 18 5.584 -2.760 3.868 59 H PHE 19 H PHE 19 4.073 -4.366 0.162 60 HA PHE 19 HA PHE 19 1.206 -3.790 -0.234 61 1HB PHE 19 2HB PHE 19 2.918 -5.393 -2.148 62 2HB PHE 19 1HB PHE 19 1.208 -5.033 -2.324 63 HD1 PHE 19 HD1 PHE 19 0.520 -3.155 -3.500 64 HD2 PHE 19 HD2 PHE 19 4.560 -3.427 -2.193 65 HE1 PHE 19 HE1 PHE 19 1.082 -1.166 -4.833 66 HE2 PHE 19 HE2 PHE 19 5.127 -1.433 -3.517 67 HZ PHE 19 HZ PHE 19 3.387 -0.300 -4.840 68 H TYR 20 H TYR 20 0.127 -5.980 -0.866 69 HA TYR 20 HA TYR 20 1.199 -8.333 0.355 70 1HB TYR 20 2HB TYR 20 -0.664 -8.665 1.980 71 2HB TYR 20 1HB TYR 20 0.437 -7.375 2.418 72 HD1 TYR 20 HD1 TYR 20 -0.614 -5.640 3.476 73 HD2 TYR 20 HD2 TYR 20 -2.684 -7.616 0.333 74 HE1 TYR 20 HE1 TYR 20 -2.521 -4.122 3.786 75 HE2 TYR 20 HE2 TYR 20 -4.594 -6.099 0.630 76 HH TYR 20 HH TYR 20 -4.519 -3.301 2.034 77 H GLY 21 HN GLY 21 -0.329 -10.161 0.162 78 1HA GLY 21 2HA GLY 21 -1.700 -11.467 -1.136 79 2HA GLY 21 1HA GLY 21 -2.703 -10.037 -1.326 80 2H GLY 1 H GLY 1 3.064 -4.545 2.770 81 1HA GLY 1 2HA GLY 1 3.880 -4.807 5.452 82 2HA GLY 1 1HA GLY 1 3.141 -6.314 4.931 83 H GLY 2 H GLY 2 3.979 -6.217 2.222 84 1HA GLY 2 2HA GLY 2 6.809 -5.895 2.034 85 2HA GLY 2 1HA GLY 2 6.374 -7.575 2.299 86 H ALA 3 H ALA 3 6.552 -8.569 0.446 87 HA ALA 3 HA ALA 3 5.971 -7.281 -2.067 88 1HB ALA 3 1HB ALA 3 6.232 -10.115 -2.341 89 2HB ALA 3 2HB ALA 3 7.478 -9.524 -1.242 90 3HB ALA 3 3HB ALA 3 7.339 -8.846 -2.864 91 H GLY 4 H GLY 4 4.099 -7.425 -3.209 92 1HA GLY 4 2HA GLY 4 2.250 -9.535 -3.032 93 2HA GLY 4 1HA GLY 4 1.731 -8.241 -1.961 94 H HIS 5 H HIS 5 -0.065 -7.588 -3.075 95 HA HIS 5 HA HIS 5 0.475 -6.319 -5.672 96 1HB HIS 5 2HB HIS 5 -1.952 -8.003 -5.015 97 2HB HIS 5 1HB HIS 5 -1.765 -7.036 -6.472 98 HD1 HIS 5 HD1 HIS 5 -0.198 -10.036 -4.744 99 HD2 HIS 5 HD2 HIS 5 -0.492 -8.305 -8.524 100 HE1 HIS 5 HE1 HIS 5 0.893 -11.659 -6.327 101 HE2 HIS 5 HE2 HIS 5 0.819 -10.535 -8.579 102 H VAL 6 H VAL 6 -1.741 -6.544 -2.902 103 HA VAL 6 HA VAL 6 -2.851 -3.929 -3.527 104 HB VAL 6 HB VAL 6 -3.416 -5.667 -1.119 105 1HG1 VAL 6 1HG1 VAL 6 -5.407 -4.364 -0.853 106 2HG1 VAL 6 2HG1 VAL 6 -5.098 -3.493 -2.356 107 3HG1 VAL 6 3HG1 VAL 6 -4.038 -3.258 -0.966 108 1HG2 VAL 6 1HG2 VAL 6 -5.452 -5.587 -3.201 109 2HG2 VAL 6 2HG2 VAL 6 -4.793 -6.960 -2.313 110 3HG2 VAL 6 3HG2 VAL 6 -3.948 -6.339 -3.731 111 HA PRO 7 HA PRO 7 0.280 -1.866 -1.123 112 1HB PRO 7 2HB PRO 7 -1.579 0.420 -1.214 113 2HB PRO 7 1HB PRO 7 0.069 0.287 -1.834 114 1HG PRO 7 2HG PRO 7 -2.049 0.361 -3.478 115 2HG PRO 7 1HG PRO 7 -0.617 -0.620 -3.843 116 1HD PRO 7 2HD PRO 7 -3.269 -1.471 -2.743 117 2HD PRO 7 1HD PRO 7 -2.244 -2.267 -3.955 118 H GLU 8 H GLU 8 0.625 -1.539 0.998 119 HA GLU 8 HA GLU 8 -1.586 -1.956 2.830 120 1HB GLU 8 2HB GLU 8 1.327 -1.449 3.472 121 2HB GLU 8 1HB GLU 8 0.105 -2.095 4.561 122 1HG GLU 8 2HG GLU 8 -0.127 -4.015 2.935 123 2HG GLU 8 1HG GLU 8 1.336 -3.407 2.167 124 H TYR 9 H TYR 9 -2.257 0.223 1.674 125 HA TYR 9 HA TYR 9 -2.090 2.245 3.714 126 1HB TYR 9 2HB TYR 9 -0.054 2.755 2.515 127 2HB TYR 9 1HB TYR 9 -0.907 2.741 0.982 128 HD1 TYR 9 HD1 TYR 9 -1.448 4.760 0.056 129 HD2 TYR 9 HD2 TYR 9 -1.045 4.502 4.283 130 HE1 TYR 9 HE1 TYR 9 -1.819 7.180 0.231 131 HE2 TYR 9 HE2 TYR 9 -1.420 6.926 4.470 132 HH TYR 9 HH TYR 9 -1.140 9.017 1.989 133 H PHE 10 HN PHE 10 -3.543 3.945 3.391 134 HA PHE 10 HA PHE 10 -5.443 3.778 1.191 135 1HB PHE 10 2HB PHE 10 -6.268 3.646 4.109 136 2HB PHE 10 1HB PHE 10 -7.374 3.924 2.772 137 HD1 PHE 10 HD1 PHE 10 -5.177 1.446 4.385 138 HD2 PHE 10 HD2 PHE 10 -8.147 2.134 1.416 139 HE1 PHE 10 HE1 PHE 10 -5.484 -0.982 4.136 140 HE2 PHE 10 HE2 PHE 10 -8.461 -0.293 1.163 141 HZ PHE 10 HZ PHE 10 -7.128 -1.854 2.523 Start of MODEL 5 1 1H VAL 11 1HT VAL 11 -4.429 10.038 -0.214 2 2H VAL 11 2HT VAL 11 -4.614 9.768 1.443 3 3H VAL 11 3HT VAL 11 -4.558 8.454 0.374 4 HA VAL 11 HA VAL 11 -2.317 8.651 0.000 5 HB VAL 11 HB VAL 11 -2.387 11.394 1.279 6 1HG1 VAL 11 1HG1 VAL 11 -0.262 10.007 1.430 7 2HG1 VAL 11 2HG1 VAL 11 -0.114 11.610 0.708 8 3HG1 VAL 11 3HG1 VAL 11 -0.152 10.179 -0.322 9 1HG2 VAL 11 1HG2 VAL 11 -1.843 10.908 -1.621 10 2HG2 VAL 11 2HG2 VAL 11 -2.381 12.381 -0.814 11 3HG2 VAL 11 3HG2 VAL 11 -3.503 11.039 -1.040 12 H GLY 12 H GLY 12 -1.270 7.362 1.356 13 1HA GLY 12 2HA GLY 12 -2.068 7.135 4.089 14 2HA GLY 12 1HA GLY 12 -0.788 6.229 3.298 15 H ILE 13 H ILE 13 -1.002 7.660 5.939 16 HA ILE 13 HA ILE 13 0.849 9.834 5.786 17 HB ILE 13 HB ILE 13 0.923 9.568 8.321 18 1HG1 ILE 13 2HG1 ILE 13 -1.310 8.307 9.034 19 2HG1 ILE 13 1HG1 ILE 13 -0.952 7.359 7.596 20 1HG2 ILE 13 1HG2 ILE 13 -0.406 11.278 7.404 21 2HG2 ILE 13 2HG2 ILE 13 -1.442 10.433 8.554 22 3HG2 ILE 13 3HG2 ILE 13 -1.617 10.135 6.824 23 1HD1 ILE 13 1HD1 ILE 13 0.944 7.766 9.896 24 2HD1 ILE 13 2HD1 ILE 13 1.181 6.713 8.501 25 3HD1 ILE 13 3HD1 ILE 13 -0.090 6.355 9.670 26 H GLY 14 H GLY 14 3.021 9.859 6.261 27 1HA GLY 14 2HA GLY 14 5.121 9.002 6.779 28 2HA GLY 14 1HA GLY 14 4.378 7.455 7.144 29 H THR 15 H THR 15 3.066 6.971 4.788 30 HA THR 15 HA THR 15 4.999 7.122 2.620 31 HB THR 15 HB THR 15 3.929 4.434 3.520 32 HG1 THR 15 HG1 THR 15 6.072 5.888 4.408 33 1HG2 THR 15 1HG2 THR 15 6.310 4.362 1.924 34 2HG2 THR 15 2HG2 THR 15 5.081 5.323 1.102 35 3HG2 THR 15 3HG2 THR 15 4.727 3.664 1.584 36 HA PRO 16 HA PRO 16 1.089 8.030 0.685 37 1HB PRO 16 2HB PRO 16 2.080 7.788 -1.904 38 2HB PRO 16 1HB PRO 16 2.095 9.257 -0.926 39 1HG PRO 16 2HG PRO 16 4.267 7.264 -1.392 40 2HG PRO 16 1HG PRO 16 4.372 9.029 -1.247 41 1HD PRO 16 2HD PRO 16 5.095 7.422 0.768 42 2HD PRO 16 1HD PRO 16 4.274 8.968 1.071 43 H ILE 17 H ILE 17 3.053 5.390 -0.724 44 HA ILE 17 HA ILE 17 0.544 3.885 -1.042 45 HB ILE 17 HB ILE 17 1.298 2.857 -3.048 46 1HG1 ILE 17 2HG1 ILE 17 3.715 2.679 -2.408 47 2HG1 ILE 17 1HG1 ILE 17 3.448 3.167 -4.075 48 1HG2 ILE 17 1HG2 ILE 17 0.275 4.952 -3.465 49 2HG2 ILE 17 2HG2 ILE 17 1.654 4.821 -4.556 50 3HG2 ILE 17 3HG2 ILE 17 1.765 5.825 -3.110 51 1HD1 ILE 17 1HD1 ILE 17 4.393 5.188 -3.771 52 2HD1 ILE 17 2HD1 ILE 17 5.210 4.344 -2.455 53 3HD1 ILE 17 3HD1 ILE 17 3.796 5.343 -2.118 54 H SER 18 H SER 18 0.604 1.671 -0.663 55 HA SER 18 HA SER 18 3.087 0.573 0.413 56 1HB SER 18 2HB SER 18 1.529 -0.549 2.192 57 2HB SER 18 1HB SER 18 2.101 1.096 2.451 58 HG SER 18 HG SER 18 0.132 1.882 1.926 59 H PHE 19 H PHE 19 2.372 -1.915 1.058 60 HA PHE 19 HA PHE 19 0.813 -2.982 -1.194 61 1HB PHE 19 2HB PHE 19 3.574 -3.976 -0.440 62 2HB PHE 19 1HB PHE 19 2.536 -4.655 -1.684 63 HD1 PHE 19 HD1 PHE 19 2.559 -3.810 -3.868 64 HD2 PHE 19 HD2 PHE 19 4.501 -1.654 -0.756 65 HE1 PHE 19 HE1 PHE 19 3.613 -2.348 -5.542 66 HE2 PHE 19 HE2 PHE 19 5.550 -0.182 -2.424 67 HZ PHE 19 HZ PHE 19 5.107 -0.529 -4.821 68 H TYR 20 H TYR 20 0.596 -5.409 -0.949 69 HA TYR 20 HA TYR 20 0.726 -6.442 1.745 70 1HB TYR 20 2HB TYR 20 -1.634 -7.005 1.933 71 2HB TYR 20 1HB TYR 20 -1.431 -5.272 1.803 72 HD1 TYR 20 HD1 TYR 20 -2.533 -8.306 0.010 73 HD2 TYR 20 HD2 TYR 20 -2.391 -4.057 -0.020 74 HE1 TYR 20 HE1 TYR 20 -4.157 -8.271 -1.835 75 HE2 TYR 20 HE2 TYR 20 -4.014 -4.009 -1.864 76 HH TYR 20 HH TYR 20 -5.039 -5.264 -3.444 77 H GLY 21 HN GLY 21 0.034 -8.707 1.819 78 1HA GLY 21 2HA GLY 21 0.212 -10.865 1.049 79 2HA GLY 21 1HA GLY 21 -0.482 -10.267 -0.451 80 2H GLY 1 H GLY 1 -0.776 -0.495 2.424 81 1HA GLY 1 2HA GLY 1 -1.923 -0.872 4.612 82 2HA GLY 1 1HA GLY 1 -1.769 -2.589 4.261 83 H GLY 2 H GLY 2 0.829 -2.594 3.207 84 1HA GLY 2 2HA GLY 2 2.718 -1.300 4.877 85 2HA GLY 2 1HA GLY 2 2.375 -2.903 5.499 86 H ALA 3 H ALA 3 3.944 -4.181 4.959 87 HA ALA 3 HA ALA 3 5.299 -3.891 2.390 88 1HB ALA 3 1HB ALA 3 5.920 -5.358 4.926 89 2HB ALA 3 2HB ALA 3 6.897 -4.181 4.049 90 3HB ALA 3 3HB ALA 3 6.711 -5.818 3.419 91 H GLY 4 H GLY 4 5.000 -5.298 0.722 92 1HA GLY 4 2HA GLY 4 4.132 -7.967 1.014 93 2HA GLY 4 1HA GLY 4 2.752 -6.948 0.634 94 H HIS 5 H HIS 5 2.313 -7.603 -1.413 95 HA HIS 5 HA HIS 5 4.418 -7.076 -3.403 96 1HB HIS 5 2HB HIS 5 2.499 -9.415 -3.431 97 2HB HIS 5 1HB HIS 5 3.589 -8.991 -4.744 98 HD1 HIS 5 HD1 HIS 5 3.693 -10.159 -1.131 99 HD2 HIS 5 HD2 HIS 5 6.093 -10.056 -4.537 100 HE1 HIS 5 HE1 HIS 5 5.765 -11.463 -0.548 101 HE2 HIS 5 HE2 HIS 5 7.253 -11.274 -2.572 102 H VAL 6 H VAL 6 0.930 -7.464 -2.843 103 HA VAL 6 HA VAL 6 0.301 -6.098 -5.323 104 HB VAL 6 HB VAL 6 -1.611 -6.869 -3.113 105 1HG1 VAL 6 1HG1 VAL 6 -3.259 -6.176 -4.446 106 2HG1 VAL 6 2HG1 VAL 6 -2.556 -6.963 -5.860 107 3HG1 VAL 6 3HG1 VAL 6 -2.010 -5.355 -5.383 108 1HG2 VAL 6 1HG2 VAL 6 -0.521 -8.498 -5.390 109 2HG2 VAL 6 2HG2 VAL 6 -2.064 -8.871 -4.622 110 3HG2 VAL 6 3HG2 VAL 6 -0.577 -8.903 -3.675 111 HA PRO 7 HA PRO 7 0.580 -2.086 -3.421 112 1HB PRO 7 2HB PRO 7 -0.971 -1.178 -5.758 113 2HB PRO 7 1HB PRO 7 0.642 -0.699 -5.223 114 1HG PRO 7 2HG PRO 7 0.281 -2.236 -7.391 115 2HG PRO 7 1HG PRO 7 1.671 -2.456 -6.312 116 1HD PRO 7 2HD PRO 7 -0.860 -4.047 -6.495 117 2HD PRO 7 1HD PRO 7 0.810 -4.607 -6.261 118 H GLU 8 H GLU 8 -0.646 -0.958 -2.070 119 HA GLU 8 HA GLU 8 -3.576 -1.093 -2.326 120 1HB GLU 8 2HB GLU 8 -3.554 -1.057 0.264 121 2HB GLU 8 1HB GLU 8 -3.262 -2.584 -0.560 122 1HG GLU 8 2HG GLU 8 -0.965 -2.490 -0.141 123 2HG GLU 8 1HG GLU 8 -1.029 -0.801 0.329 124 H TYR 9 H TYR 9 -3.169 0.976 -3.352 125 HA TYR 9 HA TYR 9 -2.177 3.145 -1.749 126 1HB TYR 9 2HB TYR 9 -1.851 3.202 -4.159 127 2HB TYR 9 1HB TYR 9 -3.587 3.192 -4.415 128 HD1 TYR 9 HD1 TYR 9 -1.200 5.190 -2.332 129 HD2 TYR 9 HD2 TYR 9 -4.414 5.219 -5.119 130 HE1 TYR 9 HE1 TYR 9 -1.219 7.648 -2.275 131 HE2 TYR 9 HE2 TYR 9 -4.441 7.677 -5.071 132 HH TYR 9 HH TYR 9 -2.982 9.525 -4.531 133 H PHE 10 HN PHE 10 -3.296 4.839 -0.990 134 HA PHE 10 HA PHE 10 -6.132 5.074 -1.081 135 1HB PHE 10 2HB PHE 10 -6.285 4.935 1.513 136 2HB PHE 10 1HB PHE 10 -6.326 3.445 0.583 137 HD1 PHE 10 HD1 PHE 10 -3.565 5.629 1.876 138 HD2 PHE 10 HD2 PHE 10 -5.293 1.744 1.687 139 HE1 PHE 10 HE1 PHE 10 -1.696 4.736 3.202 140 HE2 PHE 10 HE2 PHE 10 -3.427 0.846 3.013 141 HZ PHE 10 HZ PHE 10 -1.625 2.342 3.772 Start of MODEL 6 1 1H VAL 11 1HT VAL 11 -0.083 8.943 6.309 2 2H VAL 11 2HT VAL 11 0.000 7.509 5.406 3 3H VAL 11 3HT VAL 11 -1.499 8.224 5.717 4 HA VAL 11 HA VAL 11 0.078 8.588 3.514 5 HB VAL 11 HB VAL 11 -2.375 8.797 3.624 6 1HG1 VAL 11 1HG1 VAL 11 -1.730 11.224 5.240 7 2HG1 VAL 11 2HG1 VAL 11 -2.918 9.956 5.542 8 3HG1 VAL 11 3HG1 VAL 11 -3.213 11.161 4.288 9 1HG2 VAL 11 1HG2 VAL 11 -0.959 11.211 2.506 10 2HG2 VAL 11 2HG2 VAL 11 -2.616 10.748 2.117 11 3HG2 VAL 11 3HG2 VAL 11 -1.277 9.687 1.678 12 H GLY 12 H GLY 12 1.298 10.282 2.672 13 1HA GLY 12 2HA GLY 12 1.673 12.743 4.076 14 2HA GLY 12 1HA GLY 12 3.015 11.638 4.339 15 H ILE 13 H ILE 13 4.548 12.784 3.236 16 HA ILE 13 HA ILE 13 4.105 13.786 0.586 17 HB ILE 13 HB ILE 13 6.587 14.238 0.639 18 1HG1 ILE 13 2HG1 ILE 13 6.303 13.307 3.509 19 2HG1 ILE 13 1HG1 ILE 13 7.172 12.440 2.247 20 1HG2 ILE 13 1HG2 ILE 13 5.981 16.228 1.413 21 2HG2 ILE 13 2HG2 ILE 13 5.798 15.591 3.047 22 3HG2 ILE 13 3HG2 ILE 13 4.448 15.514 1.915 23 1HD1 ILE 13 1HD1 ILE 13 8.272 14.983 2.217 24 2HD1 ILE 13 2HD1 ILE 13 8.984 13.526 2.909 25 3HD1 ILE 13 3HD1 ILE 13 8.041 14.616 3.926 26 H GLY 14 H GLY 14 3.440 11.207 0.395 27 1HA GLY 14 2HA GLY 14 4.798 10.231 -1.767 28 2HA GLY 14 1HA GLY 14 5.612 9.513 -0.382 29 H THR 15 H THR 15 3.304 8.972 -2.612 30 HA THR 15 HA THR 15 1.936 7.033 -0.879 31 HB THR 15 HB THR 15 -0.110 7.450 -2.377 32 HG1 THR 15 HG1 THR 15 0.532 8.778 -3.954 33 1HG2 THR 15 1HG2 THR 15 0.910 9.228 -0.213 34 2HG2 THR 15 2HG2 THR 15 -0.473 8.134 -0.214 35 3HG2 THR 15 3HG2 THR 15 -0.574 9.684 -1.050 36 HA PRO 16 HA PRO 16 3.719 5.109 -4.800 37 1HB PRO 16 2HB PRO 16 4.874 3.162 -2.926 38 2HB PRO 16 1HB PRO 16 5.665 4.093 -4.201 39 1HG PRO 16 2HG PRO 16 6.083 4.613 -1.596 40 2HG PRO 16 1HG PRO 16 6.067 5.896 -2.821 41 1HD PRO 16 2HD PRO 16 3.921 5.092 -0.888 42 2HD PRO 16 1HD PRO 16 4.451 6.719 -1.370 43 H ILE 17 H ILE 17 2.468 3.635 -1.854 44 HA ILE 17 HA ILE 17 0.821 2.136 -1.444 45 HB ILE 17 HB ILE 17 0.198 2.163 -4.391 46 1HG1 ILE 17 2HG1 ILE 17 0.051 4.438 -3.496 47 2HG1 ILE 17 1HG1 ILE 17 -1.553 3.806 -3.844 48 1HG2 ILE 17 1HG2 ILE 17 -0.740 0.268 -3.152 49 2HG2 ILE 17 2HG2 ILE 17 -1.993 1.359 -3.742 50 3HG2 ILE 17 3HG2 ILE 17 -1.522 1.395 -2.043 51 1HD1 ILE 17 1HD1 ILE 17 -1.169 5.106 -1.663 52 2HD1 ILE 17 2HD1 ILE 17 -0.414 3.618 -1.090 53 3HD1 ILE 17 3HD1 ILE 17 -2.101 3.609 -1.606 54 H SER 18 H SER 18 0.672 -0.025 -1.276 55 HA SER 18 HA SER 18 1.788 -1.840 -3.159 56 1HB SER 18 2HB SER 18 3.381 -2.808 -1.327 57 2HB SER 18 1HB SER 18 3.915 -1.471 -2.334 58 HG SER 18 HG SER 18 3.827 -0.150 -0.660 59 H PHE 19 H PHE 19 1.772 -4.106 -2.244 60 HA PHE 19 HA PHE 19 -0.298 -4.446 -0.184 61 1HB PHE 19 2HB PHE 19 -0.347 -5.875 -2.854 62 2HB PHE 19 1HB PHE 19 -1.504 -6.065 -1.546 63 HD1 PHE 19 HD1 PHE 19 -3.362 -4.644 -1.357 64 HD2 PHE 19 HD2 PHE 19 -0.249 -3.697 -4.098 65 HE1 PHE 19 HE1 PHE 19 -4.783 -2.910 -2.366 66 HE2 PHE 19 HE2 PHE 19 -1.661 -1.954 -5.107 67 HZ PHE 19 HZ PHE 19 -3.933 -1.559 -4.241 68 H TYR 20 H TYR 20 -0.573 -6.860 0.238 69 HA TYR 20 HA TYR 20 1.772 -8.493 -0.168 70 1HB TYR 20 2HB TYR 20 2.195 -8.921 2.201 71 2HB TYR 20 1HB TYR 20 2.453 -7.233 1.816 72 HD1 TYR 20 HD1 TYR 20 1.231 -5.534 2.928 73 HD2 TYR 20 HD2 TYR 20 0.112 -9.603 3.438 74 HE1 TYR 20 HE1 TYR 20 -0.246 -4.888 4.783 75 HE2 TYR 20 HE2 TYR 20 -1.375 -8.968 5.290 76 HH TYR 20 HH TYR 20 -2.018 -5.619 6.060 77 H GLY 21 HN GLY 21 1.455 -10.661 0.731 78 1HA GLY 21 2HA GLY 21 0.209 -12.585 0.886 79 2HA GLY 21 1HA GLY 21 -0.976 -11.610 1.743 80 2H GLY 1 H GLY 1 3.946 -2.673 0.478 81 1HA GLY 1 2HA GLY 1 6.228 -3.394 1.166 82 2HA GLY 1 1HA GLY 1 5.553 -5.012 1.303 83 H GLY 2 H GLY 2 3.996 -5.099 -1.012 84 1HA GLY 2 2HA GLY 2 5.418 -4.296 -3.336 85 2HA GLY 2 1HA GLY 2 5.839 -5.944 -2.914 86 H ALA 3 H ALA 3 4.808 -7.236 -4.206 87 HA ALA 3 HA ALA 3 2.142 -6.611 -5.173 88 1HB ALA 3 1HB ALA 3 3.921 -8.980 -5.761 89 2HB ALA 3 2HB ALA 3 3.791 -7.520 -6.741 90 3HB ALA 3 3HB ALA 3 2.404 -8.597 -6.576 91 H GLY 4 H GLY 4 0.294 -7.559 -4.444 92 1HA GLY 4 2HA GLY 4 0.145 -10.064 -3.177 93 2HA GLY 4 1HA GLY 4 0.245 -8.816 -1.942 94 H HIS 5 H HIS 5 -1.797 -8.924 -1.125 95 HA HIS 5 HA HIS 5 -3.942 -8.133 -2.976 96 1HB HIS 5 2HB HIS 5 -4.168 -10.249 -0.824 97 2HB HIS 5 1HB HIS 5 -5.521 -9.603 -1.743 98 HD1 HIS 5 HD1 HIS 5 -2.337 -11.610 -2.261 99 HD2 HIS 5 HD2 HIS 5 -5.994 -10.865 -4.115 100 HE1 HIS 5 HE1 HIS 5 -2.430 -13.162 -4.239 101 HE2 HIS 5 HE2 HIS 5 -4.586 -12.602 -5.415 102 H VAL 6 H VAL 6 -2.922 -8.382 0.419 103 HA VAL 6 HA VAL 6 -4.883 -6.393 1.220 104 HB VAL 6 HB VAL 6 -2.684 -7.611 2.899 105 1HG1 VAL 6 1HG1 VAL 6 -4.501 -5.543 3.417 106 2HG1 VAL 6 2HG1 VAL 6 -3.466 -6.381 4.574 107 3HG1 VAL 6 3HG1 VAL 6 -5.110 -6.951 4.287 108 1HG2 VAL 6 1HG2 VAL 6 -3.789 -9.538 2.476 109 2HG2 VAL 6 2HG2 VAL 6 -5.272 -8.711 2.000 110 3HG2 VAL 6 3HG2 VAL 6 -4.886 -8.916 3.709 111 HA PRO 7 HA PRO 7 -2.092 -3.028 0.347 112 1HB PRO 7 2HB PRO 7 -3.881 -1.457 2.082 113 2HB PRO 7 1HB PRO 7 -3.487 -1.230 0.376 114 1HG PRO 7 2HG PRO 7 -5.894 -2.124 1.159 115 2HG PRO 7 1HG PRO 7 -5.124 -2.693 -0.334 116 1HD PRO 7 2HD PRO 7 -5.319 -4.041 2.332 117 2HD PRO 7 1HD PRO 7 -5.484 -4.733 0.705 118 H GLU 8 H GLU 8 -0.312 -2.296 1.320 119 HA GLU 8 HA GLU 8 -0.191 -2.426 4.258 120 1HB GLU 8 2HB GLU 8 2.407 -2.540 3.644 121 2HB GLU 8 1HB GLU 8 1.403 -3.974 3.783 122 1HG GLU 8 2HG GLU 8 1.170 -4.137 1.426 123 2HG GLU 8 1HG GLU 8 1.917 -2.563 1.181 124 H TYR 9 H TYR 9 -1.199 -0.194 3.552 125 HA TYR 9 HA TYR 9 0.788 1.745 4.235 126 1HB TYR 9 2HB TYR 9 1.119 1.657 1.796 127 2HB TYR 9 1HB TYR 9 -0.579 2.034 1.547 128 HD1 TYR 9 HD1 TYR 9 2.330 3.420 3.464 129 HD2 TYR 9 HD2 TYR 9 -1.041 4.228 0.997 130 HE1 TYR 9 HE1 TYR 9 2.870 5.819 3.522 131 HE2 TYR 9 HE2 TYR 9 -0.509 6.628 1.046 132 HH TYR 9 HH TYR 9 2.224 7.901 1.685 133 H PHE 10 HN PHE 10 -0.098 3.747 4.781 134 HA PHE 10 HA PHE 10 -2.912 4.233 4.713 135 1HB PHE 10 2HB PHE 10 -3.103 4.364 7.245 136 2HB PHE 10 1HB PHE 10 -3.044 2.742 6.570 137 HD1 PHE 10 HD1 PHE 10 -1.687 1.207 7.585 138 HD2 PHE 10 HD2 PHE 10 -0.716 5.336 7.936 139 HE1 PHE 10 HE1 PHE 10 0.169 0.639 9.096 140 HE2 PHE 10 HE2 PHE 10 1.145 4.774 9.443 141 HZ PHE 10 HZ PHE 10 1.589 2.423 10.024 Start of MODEL 7 1 1H VAL 11 1HT VAL 11 1.698 3.836 3.370 2 2H VAL 11 2HT VAL 11 1.643 5.112 4.481 3 3H VAL 11 3HT VAL 11 2.934 4.015 4.513 4 HA VAL 11 HA VAL 11 2.331 6.058 2.476 5 HB VAL 11 HB VAL 11 4.852 5.511 4.062 6 1HG1 VAL 11 1HG1 VAL 11 4.192 7.300 1.835 7 2HG1 VAL 11 2HG1 VAL 11 5.756 6.699 2.386 8 3HG1 VAL 11 3HG1 VAL 11 5.011 8.082 3.187 9 1HG2 VAL 11 1HG2 VAL 11 2.457 6.792 4.880 10 2HG2 VAL 11 2HG2 VAL 11 3.699 8.030 4.690 11 3HG2 VAL 11 3HG2 VAL 11 3.982 6.653 5.754 12 H GLY 12 H GLY 12 3.054 5.751 0.448 13 1HA GLY 12 2HA GLY 12 5.127 3.905 -0.229 14 2HA GLY 12 1HA GLY 12 3.533 3.260 -0.603 15 H ILE 13 H ILE 13 2.752 3.704 -2.541 16 HA ILE 13 HA ILE 13 4.145 5.472 -4.315 17 HB ILE 13 HB ILE 13 1.477 4.159 -4.848 18 1HG1 ILE 13 2HG1 ILE 13 4.235 2.982 -5.287 19 2HG1 ILE 13 1HG1 ILE 13 3.124 2.489 -4.013 20 1HG2 ILE 13 1HG2 ILE 13 3.318 4.252 -7.052 21 2HG2 ILE 13 2HG2 ILE 13 3.119 5.861 -6.360 22 3HG2 ILE 13 3HG2 ILE 13 1.708 4.959 -6.912 23 1HD1 ILE 13 1HD1 ILE 13 3.153 0.965 -5.953 24 2HD1 ILE 13 2HD1 ILE 13 2.541 2.279 -6.958 25 3HD1 ILE 13 3HD1 ILE 13 1.562 1.653 -5.631 26 H GLY 14 H GLY 14 3.695 7.271 -2.654 27 1HA GLY 14 2HA GLY 14 2.816 9.409 -2.522 28 2HA GLY 14 1HA GLY 14 1.651 8.987 -3.762 29 H THR 15 H THR 15 0.511 6.773 -2.510 30 HA THR 15 HA THR 15 -1.421 8.024 -0.885 31 HB THR 15 HB THR 15 -2.004 5.479 -0.442 32 HG1 THR 15 HG1 THR 15 -0.901 4.963 -2.900 33 1HG2 THR 15 1HG2 THR 15 -3.546 6.656 -1.699 34 2HG2 THR 15 2HG2 THR 15 -2.954 5.489 -2.882 35 3HG2 THR 15 3HG2 THR 15 -2.351 7.146 -2.900 36 HA PRO 16 HA PRO 16 0.499 7.803 3.104 37 1HB PRO 16 2HB PRO 16 -2.227 7.953 4.195 38 2HB PRO 16 1HB PRO 16 -0.894 9.101 4.347 39 1HG PRO 16 2HG PRO 16 -3.055 9.630 2.840 40 2HG PRO 16 1HG PRO 16 -1.435 10.193 2.389 41 1HD PRO 16 2HD PRO 16 -2.995 7.864 1.332 42 2HD PRO 16 1HD PRO 16 -1.998 9.044 0.455 43 H ILE 17 H ILE 17 -2.120 5.729 2.142 44 HA ILE 17 HA ILE 17 -2.311 4.032 4.346 45 HB ILE 17 HB ILE 17 -3.216 2.347 2.771 46 1HG1 ILE 17 2HG1 ILE 17 -2.528 4.416 0.667 47 2HG1 ILE 17 1HG1 ILE 17 -1.758 2.843 0.850 48 1HG2 ILE 17 1HG2 ILE 17 -4.174 5.156 2.887 49 2HG2 ILE 17 2HG2 ILE 17 -4.907 3.681 3.519 50 3HG2 ILE 17 3HG2 ILE 17 -4.995 4.041 1.794 51 1HD1 ILE 17 1HD1 ILE 17 -4.644 2.652 0.599 52 2HD1 ILE 17 2HD1 ILE 17 -3.367 1.820 -0.288 53 3HD1 ILE 17 3HD1 ILE 17 -3.880 3.433 -0.786 54 H SER 18 H SER 18 -1.574 1.821 4.576 55 HA SER 18 HA SER 18 1.244 1.611 4.088 56 1HB SER 18 2HB SER 18 0.640 -0.732 5.237 57 2HB SER 18 1HB SER 18 0.816 0.762 6.155 58 HG SER 18 HG SER 18 -1.145 -0.399 6.621 59 H PHE 19 H PHE 19 2.136 -0.548 3.376 60 HA PHE 19 HA PHE 19 0.577 -1.741 1.180 61 1HB PHE 19 2HB PHE 19 3.380 -0.621 1.019 62 2HB PHE 19 1HB PHE 19 2.756 -1.777 -0.146 63 HD1 PHE 19 HD1 PHE 19 1.792 1.511 1.365 64 HD2 PHE 19 HD2 PHE 19 1.908 -0.961 -2.093 65 HE1 PHE 19 HE1 PHE 19 0.863 3.350 0.023 66 HE2 PHE 19 HE2 PHE 19 0.979 0.873 -3.441 67 HZ PHE 19 HZ PHE 19 0.454 3.032 -2.383 68 H TYR 20 H TYR 20 1.966 -3.625 0.259 69 HA TYR 20 HA TYR 20 3.690 -5.007 2.059 70 1HB TYR 20 2HB TYR 20 2.291 -6.964 2.483 71 2HB TYR 20 1HB TYR 20 1.580 -5.526 3.185 72 HD1 TYR 20 HD1 TYR 20 1.252 -8.077 0.565 73 HD2 TYR 20 HD2 TYR 20 -0.523 -4.656 2.357 74 HE1 TYR 20 HE1 TYR 20 -0.863 -8.578 -0.586 75 HE2 TYR 20 HE2 TYR 20 -2.643 -5.147 1.216 76 HH TYR 20 HH TYR 20 -3.539 -6.348 -0.561 77 H GLY 21 HN GLY 21 4.279 -7.145 1.196 78 1HA GLY 21 2HA GLY 21 5.061 -8.441 -0.532 79 2HA GLY 21 1HA GLY 21 3.560 -8.047 -1.359 80 2H GLY 1 H GLY 1 1.007 -2.890 4.600 81 1HA GLY 1 2HA GLY 1 0.369 -2.876 7.461 82 2HA GLY 1 1HA GLY 1 1.474 -4.111 6.877 83 H GLY 2 H GLY 2 2.903 -2.608 4.998 84 1HA GLY 2 2HA GLY 2 3.934 -0.216 6.229 85 2HA GLY 2 1HA GLY 2 4.998 -1.598 6.405 86 H ALA 3 H ALA 3 6.557 -1.454 5.002 87 HA ALA 3 HA ALA 3 6.243 -0.123 2.467 88 1HB ALA 3 1HB ALA 3 8.353 -0.218 3.976 89 2HB ALA 3 2HB ALA 3 8.546 -0.304 2.225 90 3HB ALA 3 3HB ALA 3 8.634 -1.774 3.196 91 H GLY 4 H GLY 4 5.923 -1.072 0.497 92 1HA GLY 4 2HA GLY 4 6.544 -3.737 -0.140 93 2HA GLY 4 1HA GLY 4 4.858 -3.660 0.352 94 H HIS 5 H HIS 5 3.962 -4.109 -1.628 95 HA HIS 5 HA HIS 5 4.320 -2.004 -3.657 96 1HB HIS 5 2HB HIS 5 4.049 -4.970 -4.195 97 2HB HIS 5 1HB HIS 5 4.033 -3.717 -5.429 98 HD1 HIS 5 HD1 HIS 5 6.365 -5.168 -2.799 99 HD2 HIS 5 HD2 HIS 5 6.494 -3.056 -6.390 100 HE1 HIS 5 HE1 HIS 5 8.803 -4.985 -3.400 101 HE2 HIS 5 HE2 HIS 5 8.844 -3.834 -5.639 102 H VAL 6 H VAL 6 2.216 -4.550 -2.377 103 HA VAL 6 HA VAL 6 -0.086 -3.416 -3.757 104 HB VAL 6 HB VAL 6 -0.053 -5.721 -1.801 105 1HG1 VAL 6 1HG1 VAL 6 -2.260 -5.596 -2.046 106 2HG1 VAL 6 2HG1 VAL 6 -2.028 -6.100 -3.721 107 3HG1 VAL 6 3HG1 VAL 6 -2.115 -4.385 -3.320 108 1HG2 VAL 6 1HG2 VAL 6 0.572 -7.189 -3.408 109 2HG2 VAL 6 2HG2 VAL 6 1.386 -5.768 -4.063 110 3HG2 VAL 6 3HG2 VAL 6 -0.182 -6.260 -4.704 111 HA PRO 7 HA PRO 7 -0.959 -0.786 -0.266 112 1HB PRO 7 2HB PRO 7 -3.607 -0.456 -1.497 113 2HB PRO 7 1HB PRO 7 -2.352 0.749 -1.196 114 1HG PRO 7 2HG PRO 7 -2.936 -0.098 -3.679 115 2HG PRO 7 1HG PRO 7 -1.284 0.333 -3.197 116 1HD PRO 7 2HD PRO 7 -2.531 -2.377 -3.480 117 2HD PRO 7 1HD PRO 7 -0.914 -1.824 -3.967 118 H GLU 8 H GLU 8 -1.910 -1.038 1.678 119 HA GLU 8 HA GLU 8 -3.505 -3.408 2.142 120 1HB GLU 8 2HB GLU 8 -2.369 -1.316 4.006 121 2HB GLU 8 1HB GLU 8 -3.362 -2.658 4.556 122 1HG GLU 8 2HG GLU 8 -1.696 -4.216 3.593 123 2HG GLU 8 1HG GLU 8 -0.681 -2.828 3.208 124 H TYR 9 H TYR 9 -4.953 -1.972 0.559 125 HA TYR 9 HA TYR 9 -7.267 -1.303 2.116 126 1HB TYR 9 2HB TYR 9 -6.059 0.828 2.212 127 2HB TYR 9 1HB TYR 9 -5.960 0.867 0.460 128 HD1 TYR 9 HD1 TYR 9 -7.403 2.355 -0.530 129 HD2 TYR 9 HD2 TYR 9 -8.641 0.387 3.033 130 HE1 TYR 9 HE1 TYR 9 -9.543 3.563 -0.614 131 HE2 TYR 9 HE2 TYR 9 -10.785 1.587 2.958 132 HH TYR 9 HH TYR 9 -12.125 2.793 0.613 133 H PHE 10 HN PHE 10 -9.125 -1.046 0.826 134 HA PHE 10 HA PHE 10 -8.908 -1.638 -2.021 135 1HB PHE 10 2HB PHE 10 -10.546 -3.318 -0.098 136 2HB PHE 10 1HB PHE 10 -10.627 -3.428 -1.850 137 HD1 PHE 10 HD1 PHE 10 -8.535 -4.082 1.107 138 HD2 PHE 10 HD2 PHE 10 -8.978 -4.611 -3.093 139 HE1 PHE 10 HE1 PHE 10 -6.727 -5.750 1.131 140 HE2 PHE 10 HE2 PHE 10 -7.172 -6.282 -3.075 141 HZ PHE 10 HZ PHE 10 -6.044 -6.853 -0.962 Start of MODEL 8 1 1H VAL 11 1HT VAL 11 2.545 3.509 1.734 2 2H VAL 11 2HT VAL 11 3.120 4.932 2.447 3 3H VAL 11 3HT VAL 11 1.947 5.013 1.231 4 HA VAL 11 HA VAL 11 0.261 4.378 2.566 5 HB VAL 11 HB VAL 11 1.321 2.256 3.251 6 1HG1 VAL 11 1HG1 VAL 11 3.067 4.057 4.742 7 2HG1 VAL 11 2HG1 VAL 11 3.340 2.403 4.192 8 3HG1 VAL 11 3HG1 VAL 11 2.467 2.700 5.696 9 1HG2 VAL 11 1HG2 VAL 11 -0.414 2.078 4.617 10 2HG2 VAL 11 2HG2 VAL 11 -0.487 3.833 4.779 11 3HG2 VAL 11 3HG2 VAL 11 0.506 2.886 5.887 12 H GLY 12 H GLY 12 -0.722 5.732 4.023 13 1HA GLY 12 2HA GLY 12 -0.959 7.446 5.538 14 2HA GLY 12 1HA GLY 12 0.702 7.161 6.036 15 H ILE 13 H ILE 13 1.956 8.844 5.786 16 HA ILE 13 HA ILE 13 1.258 11.171 4.393 17 HB ILE 13 HB ILE 13 2.811 11.144 6.299 18 1HG1 ILE 13 2HG1 ILE 13 4.521 12.707 5.358 19 2HG1 ILE 13 1HG1 ILE 13 3.957 12.287 3.745 20 1HG2 ILE 13 1HG2 ILE 13 5.286 10.569 5.139 21 2HG2 ILE 13 2HG2 ILE 13 4.219 9.245 4.672 22 3HG2 ILE 13 3HG2 ILE 13 4.436 9.643 6.376 23 1HD1 ILE 13 1HD1 ILE 13 2.307 13.585 5.901 24 2HD1 ILE 13 2HD1 ILE 13 1.757 13.184 4.274 25 3HD1 ILE 13 3HD1 ILE 13 3.016 14.397 4.505 26 H GLY 14 H GLY 14 1.937 12.051 2.462 27 1HA GLY 14 2HA GLY 14 2.956 12.146 0.378 28 2HA GLY 14 1HA GLY 14 3.727 10.606 0.705 29 H THR 15 H THR 15 1.881 8.854 1.038 30 HA THR 15 HA THR 15 -0.325 9.099 -0.801 31 HB THR 15 HB THR 15 1.803 7.032 -1.419 32 HG1 THR 15 HG1 THR 15 1.573 9.649 -2.195 33 1HG2 THR 15 1HG2 THR 15 -0.020 6.065 -2.350 34 2HG2 THR 15 2HG2 THR 15 0.271 7.238 -3.635 35 3HG2 THR 15 3HG2 THR 15 -0.931 7.575 -2.389 36 HA PRO 16 HA PRO 16 -1.600 6.462 2.609 37 1HB PRO 16 2HB PRO 16 -4.157 6.484 1.126 38 2HB PRO 16 1HB PRO 16 -3.818 6.965 2.791 39 1HG PRO 16 2HG PRO 16 -4.337 8.785 0.901 40 2HG PRO 16 1HG PRO 16 -3.149 9.095 2.182 41 1HD PRO 16 2HD PRO 16 -2.699 8.310 -0.674 42 2HD PRO 16 1HD PRO 16 -1.813 9.481 0.326 43 H ILE 17 H ILE 17 -2.975 5.767 -0.612 44 HA ILE 17 HA ILE 17 -3.074 2.964 -0.117 45 HB ILE 17 HB ILE 17 -4.682 3.777 -1.619 46 1HG1 ILE 17 2HG1 ILE 17 -2.602 2.350 -3.281 47 2HG1 ILE 17 1HG1 ILE 17 -3.754 1.571 -2.201 48 1HG2 ILE 17 1HG2 ILE 17 -3.410 4.634 -3.938 49 2HG2 ILE 17 2HG2 ILE 17 -2.522 5.403 -2.622 50 3HG2 ILE 17 3HG2 ILE 17 -4.265 5.636 -2.766 51 1HD1 ILE 17 1HD1 ILE 17 -4.155 2.745 -4.883 52 2HD1 ILE 17 2HD1 ILE 17 -5.476 2.899 -3.725 53 3HD1 ILE 17 3HD1 ILE 17 -4.861 1.303 -4.153 54 H SER 18 H SER 18 -1.748 1.392 -0.699 55 HA SER 18 HA SER 18 0.457 1.752 -2.480 56 1HB SER 18 2HB SER 18 2.074 1.046 -0.495 57 2HB SER 18 1HB SER 18 1.724 2.740 -0.837 58 HG SER 18 HG SER 18 -0.147 2.220 0.737 59 H PHE 19 H PHE 19 2.077 -0.347 -1.695 60 HA PHE 19 HA PHE 19 0.282 -2.662 -1.441 61 1HB PHE 19 2HB PHE 19 2.417 -2.372 -3.571 62 2HB PHE 19 1HB PHE 19 1.451 -3.809 -3.278 63 HD1 PHE 19 HD1 PHE 19 -0.603 -4.098 -4.335 64 HD2 PHE 19 HD2 PHE 19 1.230 -0.258 -4.339 65 HE1 PHE 19 HE1 PHE 19 -2.267 -3.308 -5.964 66 HE2 PHE 19 HE2 PHE 19 -0.437 0.541 -5.961 67 HZ PHE 19 HZ PHE 19 -2.188 -0.985 -6.777 68 H TYR 20 H TYR 20 1.746 -4.701 -1.443 69 HA TYR 20 HA TYR 20 4.357 -4.435 -0.312 70 1HB TYR 20 2HB TYR 20 3.900 -5.465 1.857 71 2HB TYR 20 1HB TYR 20 3.063 -3.935 1.705 72 HD1 TYR 20 HD1 TYR 20 2.657 -7.584 1.863 73 HD2 TYR 20 HD2 TYR 20 0.649 -3.843 1.674 74 HE1 TYR 20 HE1 TYR 20 0.550 -8.689 2.487 75 HE2 TYR 20 HE2 TYR 20 -1.461 -4.934 2.300 76 HH TYR 20 HH TYR 20 -2.489 -6.867 2.682 77 H GLY 21 HN GLY 21 5.256 -6.567 0.241 78 1HA GLY 21 2HA GLY 21 5.746 -8.730 -0.356 79 2HA GLY 21 1HA GLY 21 4.009 -8.995 -0.402 80 2H GLY 1 H GLY 1 2.384 -1.097 1.126 81 1HA GLY 1 2HA GLY 1 2.899 0.962 3.159 82 2HA GLY 1 1HA GLY 1 4.064 -0.338 2.955 83 H GLY 2 H GLY 2 4.073 -0.609 0.211 84 1HA GLY 2 2HA GLY 2 4.468 1.910 -1.105 85 2HA GLY 2 1HA GLY 2 5.980 1.149 -0.646 86 H ALA 3 H ALA 3 6.829 0.202 -2.321 87 HA ALA 3 HA ALA 3 5.279 -0.771 -4.527 88 1HB ALA 3 1HB ALA 3 7.776 -1.832 -4.889 89 2HB ALA 3 2HB ALA 3 8.118 -0.406 -3.909 90 3HB ALA 3 3HB ALA 3 7.261 -0.239 -5.441 91 H GLY 4 H GLY 4 4.567 -2.818 -4.887 92 1HA GLY 4 2HA GLY 4 5.722 -5.153 -3.828 93 2HA GLY 4 1HA GLY 4 4.395 -4.660 -2.785 94 H HIS 5 H HIS 5 2.967 -6.288 -3.234 95 HA HIS 5 HA HIS 5 1.910 -6.302 -5.979 96 1HB HIS 5 2HB HIS 5 2.411 -8.755 -4.278 97 2HB HIS 5 1HB HIS 5 1.544 -8.753 -5.808 98 HD1 HIS 5 HD1 HIS 5 5.013 -8.065 -4.423 99 HD2 HIS 5 HD2 HIS 5 3.126 -9.021 -8.015 100 HE1 HIS 5 HE1 HIS 5 6.862 -8.455 -6.086 101 HE2 HIS 5 HE2 HIS 5 5.699 -8.920 -8.271 102 H VAL 6 H VAL 6 1.305 -7.225 -2.598 103 HA VAL 6 HA VAL 6 -1.564 -7.254 -3.061 104 HB VAL 6 HB VAL 6 -0.115 -7.527 -0.422 105 1HG1 VAL 6 1HG1 VAL 6 -2.759 -7.157 -0.853 106 2HG1 VAL 6 2HG1 VAL 6 -2.094 -8.048 0.516 107 3HG1 VAL 6 3HG1 VAL 6 -2.661 -8.917 -0.911 108 1HG2 VAL 6 1HG2 VAL 6 0.796 -9.307 -1.560 109 2HG2 VAL 6 2HG2 VAL 6 -0.621 -9.516 -2.588 110 3HG2 VAL 6 3HG2 VAL 6 -0.668 -10.039 -0.904 111 HA PRO 7 HA PRO 7 -1.896 -2.901 -2.187 112 1HB PRO 7 2HB PRO 7 -4.764 -3.463 -1.829 113 2HB PRO 7 1HB PRO 7 -3.963 -2.411 -2.999 114 1HG PRO 7 2HG PRO 7 -5.088 -4.736 -3.731 115 2HG PRO 7 1HG PRO 7 -3.611 -4.127 -4.501 116 1HD PRO 7 2HD PRO 7 -3.923 -6.248 -2.410 117 2HD PRO 7 1HD PRO 7 -2.855 -6.213 -3.830 118 H GLU 8 H GLU 8 -1.837 -1.714 -0.394 119 HA GLU 8 HA GLU 8 -2.261 -2.961 2.169 120 1HB GLU 8 2HB GLU 8 -1.257 -0.240 1.338 121 2HB GLU 8 1HB GLU 8 -1.520 -0.672 3.023 122 1HG GLU 8 2HG GLU 8 0.051 -2.562 2.723 123 2HG GLU 8 1HG GLU 8 0.385 -1.971 1.097 124 H TYR 9 H TYR 9 -4.604 -3.106 1.232 125 HA TYR 9 HA TYR 9 -6.215 -0.756 1.655 126 1HB TYR 9 2HB TYR 9 -6.829 -2.413 -0.049 127 2HB TYR 9 1HB TYR 9 -7.069 -3.623 1.201 128 HD1 TYR 9 HD1 TYR 9 -8.179 -0.108 0.536 129 HD2 TYR 9 HD2 TYR 9 -9.275 -4.050 1.707 130 HE1 TYR 9 HE1 TYR 9 -10.516 0.618 0.771 131 HE2 TYR 9 HE2 TYR 9 -11.616 -3.334 1.942 132 HH TYR 9 HH TYR 9 -12.631 -0.520 2.381 133 H PHE 10 HN PHE 10 -7.890 -0.601 3.177 134 HA PHE 10 HA PHE 10 -8.060 -2.352 5.425 135 1HB PHE 10 2HB PHE 10 -7.478 -0.477 7.074 136 2HB PHE 10 1HB PHE 10 -6.133 -1.274 6.271 137 HD1 PHE 10 HD1 PHE 10 -8.397 1.643 5.616 138 HD2 PHE 10 HD2 PHE 10 -4.435 0.087 5.600 139 HE1 PHE 10 HE1 PHE 10 -7.548 3.822 4.854 140 HE2 PHE 10 HE2 PHE 10 -3.580 2.264 4.839 141 HZ PHE 10 HZ PHE 10 -5.136 4.135 4.465 Start of MODEL 9 1 1H VAL 11 1HT VAL 11 1.768 5.374 0.285 2 2H VAL 11 2HT VAL 11 1.825 4.187 1.492 3 3H VAL 11 3HT VAL 11 3.257 4.722 0.763 4 HA VAL 11 HA VAL 11 1.531 6.653 2.131 5 HB VAL 11 HB VAL 11 2.768 6.307 4.231 6 1HG1 VAL 11 1HG1 VAL 11 1.165 4.942 4.953 7 2HG1 VAL 11 2HG1 VAL 11 1.752 3.604 3.965 8 3HG1 VAL 11 3HG1 VAL 11 0.661 4.803 3.268 9 1HG2 VAL 11 1HG2 VAL 11 3.700 3.610 3.559 10 2HG2 VAL 11 2HG2 VAL 11 4.479 4.880 4.504 11 3HG2 VAL 11 3HG2 VAL 11 4.573 4.908 2.743 12 H GLY 12 H GLY 12 3.630 7.754 3.620 13 1HA GLY 12 2HA GLY 12 5.502 9.076 3.465 14 2HA GLY 12 1HA GLY 12 5.957 8.170 2.031 15 H ILE 13 H ILE 13 6.576 9.903 0.812 16 HA ILE 13 HA ILE 13 4.830 12.171 0.451 17 HB ILE 13 HB ILE 13 6.596 12.897 -1.207 18 1HG1 ILE 13 2HG1 ILE 13 8.094 10.534 -0.043 19 2HG1 ILE 13 1HG1 ILE 13 7.472 10.619 -1.687 20 1HG2 ILE 13 1HG2 ILE 13 7.624 13.964 0.476 21 2HG2 ILE 13 2HG2 ILE 13 8.084 12.463 1.280 22 3HG2 ILE 13 3HG2 ILE 13 6.462 13.120 1.499 23 1HD1 ILE 13 1HD1 ILE 13 9.218 11.804 -2.391 24 2HD1 ILE 13 2HD1 ILE 13 9.990 11.320 -0.881 25 3HD1 ILE 13 3HD1 ILE 13 9.170 12.877 -0.992 26 H GLY 14 H GLY 14 3.321 10.136 -0.337 27 1HA GLY 14 2HA GLY 14 2.918 10.703 -3.124 28 2HA GLY 14 1HA GLY 14 3.413 9.045 -2.807 29 H THR 15 H THR 15 1.707 7.799 -2.947 30 HA THR 15 HA THR 15 -0.929 8.741 -2.271 31 HB THR 15 HB THR 15 -1.589 6.367 -2.894 32 HG1 THR 15 HG1 THR 15 0.022 5.013 -3.042 33 1HG2 THR 15 1HG2 THR 15 -0.322 8.362 -4.703 34 2HG2 THR 15 2HG2 THR 15 -1.994 7.803 -4.632 35 3HG2 THR 15 3HG2 THR 15 -0.756 6.790 -5.375 36 HA PRO 16 HA PRO 16 -0.846 7.446 1.973 37 1HB PRO 16 2HB PRO 16 -3.580 7.094 2.247 38 2HB PRO 16 1HB PRO 16 -2.742 8.638 2.421 39 1HG PRO 16 2HG PRO 16 -4.244 7.547 0.086 40 2HG PRO 16 1HG PRO 16 -4.166 9.210 0.695 41 1HD PRO 16 2HD PRO 16 -2.789 8.418 -1.481 42 2HD PRO 16 1HD PRO 16 -2.150 9.633 -0.354 43 H ILE 17 H ILE 17 -3.205 5.756 -0.101 44 HA ILE 17 HA ILE 17 -2.879 3.277 1.310 45 HB ILE 17 HB ILE 17 -4.129 3.616 -1.410 46 1HG1 ILE 17 2HG1 ILE 17 -5.446 3.937 1.297 47 2HG1 ILE 17 1HG1 ILE 17 -5.136 5.238 0.152 48 1HG2 ILE 17 1HG2 ILE 17 -3.590 1.351 -0.037 49 2HG2 ILE 17 2HG2 ILE 17 -4.920 1.520 -1.184 50 3HG2 ILE 17 3HG2 ILE 17 -5.216 1.709 0.544 51 1HD1 ILE 17 1HD1 ILE 17 -7.482 4.007 0.348 52 2HD1 ILE 17 2HD1 ILE 17 -6.712 2.942 -0.829 53 3HD1 ILE 17 3HD1 ILE 17 -6.874 4.665 -1.172 54 H SER 18 H SER 18 -1.722 1.517 0.668 55 HA SER 18 HA SER 18 -0.341 1.395 -1.837 56 1HB SER 18 2HB SER 18 1.918 1.241 -0.406 57 2HB SER 18 1HB SER 18 1.331 2.759 -1.085 58 HG SER 18 HG SER 18 0.106 2.607 1.169 59 H PHE 19 H PHE 19 1.703 -0.384 -1.093 60 HA PHE 19 HA PHE 19 0.298 -2.601 0.244 61 1HB PHE 19 2HB PHE 19 1.746 -2.841 -2.406 62 2HB PHE 19 1HB PHE 19 1.007 -4.159 -1.511 63 HD1 PHE 19 HD1 PHE 19 0.218 -0.990 -3.289 64 HD2 PHE 19 HD2 PHE 19 -1.204 -4.750 -1.894 65 HE1 PHE 19 HE1 PHE 19 -1.877 -0.654 -4.532 66 HE2 PHE 19 HE2 PHE 19 -3.302 -4.419 -3.134 67 HZ PHE 19 HZ PHE 19 -3.641 -2.370 -4.456 68 H TYR 20 H TYR 20 1.930 -4.534 0.265 69 HA TYR 20 HA TYR 20 4.701 -3.901 0.459 70 1HB TYR 20 2HB TYR 20 4.979 -4.433 2.874 71 2HB TYR 20 1HB TYR 20 4.156 -2.915 2.579 72 HD1 TYR 20 HD1 TYR 20 2.438 -2.445 4.010 73 HD2 TYR 20 HD2 TYR 20 3.200 -6.517 3.068 74 HE1 TYR 20 HE1 TYR 20 0.633 -3.127 5.533 75 HE2 TYR 20 HE2 TYR 20 1.394 -7.212 4.582 76 HH TYR 20 HH TYR 20 -0.957 -5.338 5.622 77 H GLY 21 HN GLY 21 5.966 -5.788 1.196 78 1HA GLY 21 2HA GLY 21 6.488 -8.018 1.034 79 2HA GLY 21 1HA GLY 21 4.836 -8.341 1.542 80 2H GLY 1 H GLY 1 2.708 -0.366 1.661 81 1HA GLY 1 2HA GLY 1 3.482 2.153 2.966 82 2HA GLY 1 1HA GLY 1 4.672 0.868 2.829 83 H GLY 2 H GLY 2 4.082 -0.077 0.283 84 1HA GLY 2 2HA GLY 2 4.035 2.061 -1.632 85 2HA GLY 2 1HA GLY 2 5.649 1.423 -1.374 86 H ALA 3 H ALA 3 6.128 0.141 -2.977 87 HA ALA 3 HA ALA 3 4.152 -1.358 -4.424 88 1HB ALA 3 1HB ALA 3 5.754 -1.643 -5.982 89 2HB ALA 3 2HB ALA 3 6.967 -2.115 -4.792 90 3HB ALA 3 3HB ALA 3 6.621 -0.408 -5.068 91 H GLY 4 H GLY 4 3.566 -3.455 -4.115 92 1HA GLY 4 2HA GLY 4 5.170 -5.433 -2.926 93 2HA GLY 4 1HA GLY 4 4.122 -4.746 -1.693 94 H HIS 5 H HIS 5 2.816 -6.507 -1.363 95 HA HIS 5 HA HIS 5 1.068 -7.197 -3.628 96 1HB HIS 5 2HB HIS 5 2.255 -9.160 -1.654 97 2HB HIS 5 1HB HIS 5 1.009 -9.551 -2.832 98 HD1 HIS 5 HD1 HIS 5 4.629 -8.399 -2.704 99 HD2 HIS 5 HD2 HIS 5 1.956 -10.302 -5.273 100 HE1 HIS 5 HE1 HIS 5 5.987 -9.110 -4.700 101 HE2 HIS 5 HE2 HIS 5 4.380 -10.368 -6.176 102 H VAL 6 H VAL 6 1.479 -7.293 -0.095 103 HA VAL 6 HA VAL 6 -1.387 -7.561 0.287 104 HB VAL 6 HB VAL 6 0.734 -7.100 2.392 105 1HG1 VAL 6 1HG1 VAL 6 -1.246 -8.583 3.535 106 2HG1 VAL 6 2HG1 VAL 6 -2.161 -7.546 2.442 107 3HG1 VAL 6 3HG1 VAL 6 -1.100 -6.829 3.655 108 1HG2 VAL 6 1HG2 VAL 6 -0.315 -9.807 2.147 109 2HG2 VAL 6 2HG2 VAL 6 1.348 -9.247 2.325 110 3HG2 VAL 6 3HG2 VAL 6 0.597 -9.285 0.730 111 HA PRO 7 HA PRO 7 -1.968 -3.156 0.152 112 1HB PRO 7 2HB PRO 7 -4.594 -3.736 1.344 113 2HB PRO 7 1HB PRO 7 -4.205 -2.999 -0.212 114 1HG PRO 7 2HG PRO 7 -5.209 -5.485 -0.036 115 2HG PRO 7 1HG PRO 7 -4.031 -5.034 -1.283 116 1HD PRO 7 2HD PRO 7 -3.604 -6.531 1.275 117 2HD PRO 7 1HD PRO 7 -2.914 -6.831 -0.334 118 H GLU 8 H GLU 8 -1.721 -1.509 1.516 119 HA GLU 8 HA GLU 8 -1.391 -2.056 4.337 120 1HB GLU 8 2HB GLU 8 -0.945 0.442 2.687 121 2HB GLU 8 1HB GLU 8 -0.651 0.349 4.419 122 1HG GLU 8 2HG GLU 8 0.953 -1.498 3.970 123 2HG GLU 8 1HG GLU 8 0.745 -1.189 2.249 124 H TYR 9 H TYR 9 -3.872 -2.550 3.974 125 HA TYR 9 HA TYR 9 -5.264 -0.531 5.461 126 1HB TYR 9 2HB TYR 9 -5.560 0.347 3.190 127 2HB TYR 9 1HB TYR 9 -6.228 -1.190 2.664 128 HD1 TYR 9 HD1 TYR 9 -6.824 1.262 5.434 129 HD2 TYR 9 HD2 TYR 9 -8.516 -1.204 2.407 130 HE1 TYR 9 HE1 TYR 9 -9.070 2.036 6.067 131 HE2 TYR 9 HE2 TYR 9 -10.767 -0.434 3.030 132 HH TYR 9 HH TYR 9 -11.632 0.735 5.674 133 H PHE 10 HN PHE 10 -7.344 -1.260 6.169 134 HA PHE 10 HA PHE 10 -8.212 -3.943 5.665 135 1HB PHE 10 2HB PHE 10 -6.312 -4.261 7.292 136 2HB PHE 10 1HB PHE 10 -7.202 -3.275 8.446 137 HD1 PHE 10 HD1 PHE 10 -7.973 -4.597 10.153 138 HD2 PHE 10 HD2 PHE 10 -8.223 -6.044 6.158 139 HE1 PHE 10 HE1 PHE 10 -9.148 -6.603 10.957 140 HE2 PHE 10 HE2 PHE 10 -9.401 -8.052 6.955 141 HZ PHE 10 HZ PHE 10 -9.865 -8.333 9.357 Start of MODEL 10 1 1H VAL 11 1HT VAL 11 4.228 3.160 1.096 2 2H VAL 11 2HT VAL 11 3.000 4.315 0.964 3 3H VAL 11 3HT VAL 11 2.757 2.931 1.906 4 HA VAL 11 HA VAL 11 3.182 4.535 3.466 5 HB VAL 11 HB VAL 11 5.505 4.134 4.295 6 1HG1 VAL 11 1HG1 VAL 11 5.084 1.443 4.029 7 2HG1 VAL 11 2HG1 VAL 11 3.479 2.108 3.723 8 3HG1 VAL 11 3HG1 VAL 11 4.317 2.483 5.229 9 1HG2 VAL 11 1HG2 VAL 11 5.923 2.162 2.098 10 2HG2 VAL 11 2HG2 VAL 11 7.106 2.975 3.123 11 3HG2 VAL 11 3HG2 VAL 11 6.322 3.856 1.811 12 H GLY 12 H GLY 12 3.763 6.592 3.944 13 1HA GLY 12 2HA GLY 12 4.751 8.664 3.719 14 2HA GLY 12 1HA GLY 12 5.850 7.968 2.539 15 H ILE 13 H ILE 13 5.747 9.229 0.820 16 HA ILE 13 HA ILE 13 3.492 10.716 0.012 17 HB ILE 13 HB ILE 13 5.800 11.377 -0.517 18 1HG1 ILE 13 2HG1 ILE 13 4.139 10.924 -3.007 19 2HG1 ILE 13 1HG1 ILE 13 3.908 12.243 -1.864 20 1HG2 ILE 13 1HG2 ILE 13 6.330 8.867 -1.144 21 2HG2 ILE 13 2HG2 ILE 13 7.246 10.209 -1.832 22 3HG2 ILE 13 3HG2 ILE 13 5.959 9.449 -2.768 23 1HD1 ILE 13 1HD1 ILE 13 5.106 13.054 -3.768 24 2HD1 ILE 13 2HD1 ILE 13 6.303 11.767 -3.618 25 3HD1 ILE 13 3HD1 ILE 13 6.200 13.023 -2.384 26 H GLY 14 H GLY 14 2.134 10.480 -1.784 27 1HA GLY 14 2HA GLY 14 1.072 9.380 -3.536 28 2HA GLY 14 1HA GLY 14 2.169 8.028 -3.330 29 H THR 15 H THR 15 1.829 7.187 -0.891 30 HA THR 15 HA THR 15 -0.939 7.019 -0.110 31 HB THR 15 HB THR 15 0.452 4.517 -1.116 32 HG1 THR 15 HG1 THR 15 -1.050 6.337 -2.403 33 1HG2 THR 15 1HG2 THR 15 -1.048 3.313 0.011 34 2HG2 THR 15 2HG2 THR 15 -2.379 4.270 -0.639 35 3HG2 THR 15 3HG2 THR 15 -1.549 4.794 0.826 36 HA PRO 16 HA PRO 16 1.532 6.709 3.615 37 1HB PRO 16 2HB PRO 16 -0.584 6.571 5.343 38 2HB PRO 16 1HB PRO 16 0.024 8.080 4.655 39 1HG PRO 16 2HG PRO 16 -2.317 6.420 3.814 40 2HG PRO 16 1HG PRO 16 -2.177 8.184 3.929 41 1HD PRO 16 2HD PRO 16 -2.011 6.874 1.573 42 2HD PRO 16 1HD PRO 16 -1.088 8.355 1.900 43 H ILE 17 H ILE 17 -1.195 4.595 2.914 44 HA ILE 17 HA ILE 17 -0.626 2.581 4.800 45 HB ILE 17 HB ILE 17 -1.980 2.018 2.173 46 1HG1 ILE 17 2HG1 ILE 17 -3.236 3.396 4.562 47 2HG1 ILE 17 1HG1 ILE 17 -2.839 4.187 3.040 48 1HG2 ILE 17 1HG2 ILE 17 -3.375 0.565 3.591 49 2HG2 ILE 17 2HG2 ILE 17 -2.429 1.052 4.998 50 3HG2 ILE 17 3HG2 ILE 17 -1.664 0.148 3.691 51 1HD1 ILE 17 1HD1 ILE 17 -5.208 3.647 3.189 52 2HD1 ILE 17 2HD1 ILE 17 -4.811 1.940 3.388 53 3HD1 ILE 17 3HD1 ILE 17 -4.430 2.763 1.876 54 H SER 18 H SER 18 0.061 0.352 4.275 55 HA SER 18 HA SER 18 2.537 0.380 2.825 56 1HB SER 18 2HB SER 18 2.338 -2.155 3.602 57 2HB SER 18 1HB SER 18 2.763 -0.870 4.736 58 HG SER 18 HG SER 18 1.120 -1.913 5.714 59 H PHE 19 H PHE 19 2.683 -2.210 1.818 60 HA PHE 19 HA PHE 19 0.592 -2.297 -0.258 61 1HB PHE 19 2HB PHE 19 3.547 -2.628 -0.820 62 2HB PHE 19 1HB PHE 19 2.242 -2.631 -1.995 63 HD1 PHE 19 HD1 PHE 19 4.086 -0.484 0.397 64 HD2 PHE 19 HD2 PHE 19 1.517 -0.644 -2.991 65 HE1 PHE 19 HE1 PHE 19 4.410 1.927 0.042 66 HE2 PHE 19 HE2 PHE 19 1.836 1.768 -3.351 67 HZ PHE 19 HZ PHE 19 3.286 3.057 -1.835 68 H TYR 20 H TYR 20 1.127 -4.297 -1.691 69 HA TYR 20 HA TYR 20 2.237 -6.573 -0.372 70 1HB TYR 20 2HB TYR 20 0.135 -7.941 -0.443 71 2HB TYR 20 1HB TYR 20 0.160 -6.707 0.801 72 HD1 TYR 20 HD1 TYR 20 -0.784 -6.588 -2.834 73 HD2 TYR 20 HD2 TYR 20 -1.995 -6.024 1.201 74 HE1 TYR 20 HE1 TYR 20 -2.968 -5.773 -3.609 75 HE2 TYR 20 HE2 TYR 20 -4.181 -5.200 0.436 76 HH TYR 20 HH TYR 20 -5.107 -4.120 -1.665 77 H GLY 21 HN GLY 21 2.018 -8.530 -1.754 78 1HA GLY 21 2HA GLY 21 2.320 -9.551 -3.785 79 2HA GLY 21 1HA GLY 21 1.086 -8.458 -4.393 80 2H GLY 1 H GLY 1 0.780 -3.914 3.000 81 1HA GLY 1 2HA GLY 1 0.135 -4.587 5.721 82 2HA GLY 1 1HA GLY 1 0.617 -5.979 4.761 83 H GLY 2 H GLY 2 2.512 -4.654 3.116 84 1HA GLY 2 2HA GLY 2 4.457 -3.301 4.716 85 2HA GLY 2 1HA GLY 2 4.852 -4.998 4.510 86 H ALA 3 H ALA 3 6.373 -5.134 3.065 87 HA ALA 3 HA ALA 3 6.638 -3.290 0.881 88 1HB ALA 3 1HB ALA 3 8.194 -5.703 0.567 89 2HB ALA 3 2HB ALA 3 8.341 -5.064 2.205 90 3HB ALA 3 3HB ALA 3 8.737 -4.044 0.821 91 H GLY 4 H GLY 4 5.958 -3.555 -1.194 92 1HA GLY 4 2HA GLY 4 5.405 -6.019 -2.426 93 2HA GLY 4 1HA GLY 4 3.904 -5.364 -1.783 94 H HIS 5 H HIS 5 2.898 -4.872 -3.689 95 HA HIS 5 HA HIS 5 4.151 -2.703 -5.229 96 1HB HIS 5 2HB HIS 5 2.718 -5.095 -6.404 97 2HB HIS 5 1HB HIS 5 3.208 -3.674 -7.318 98 HD1 HIS 5 HD1 HIS 5 4.739 -6.530 -5.335 99 HD2 HIS 5 HD2 HIS 5 5.758 -3.765 -8.282 100 HE1 HIS 5 HE1 HIS 5 7.065 -7.144 -6.076 101 HE2 HIS 5 HE2 HIS 5 7.704 -5.389 -7.765 102 H VAL 6 H VAL 6 1.130 -4.431 -4.499 103 HA VAL 6 HA VAL 6 -0.407 -2.085 -5.314 104 HB VAL 6 HB VAL 6 -1.435 -4.723 -4.254 105 1HG1 VAL 6 1HG1 VAL 6 -3.074 -3.099 -6.073 106 2HG1 VAL 6 2HG1 VAL 6 -2.790 -2.389 -4.484 107 3HG1 VAL 6 3HG1 VAL 6 -3.528 -3.985 -4.617 108 1HG2 VAL 6 1HG2 VAL 6 -1.293 -5.658 -6.290 109 2HG2 VAL 6 2HG2 VAL 6 -0.051 -4.439 -6.575 110 3HG2 VAL 6 3HG2 VAL 6 -1.705 -4.157 -7.120 111 HA PRO 7 HA PRO 7 -0.413 -0.521 -1.143 112 1HB PRO 7 2HB PRO 7 -2.765 1.020 -2.048 113 2HB PRO 7 1HB PRO 7 -1.223 1.595 -1.408 114 1HG PRO 7 2HG PRO 7 -1.840 1.849 -4.002 115 2HG PRO 7 1HG PRO 7 -0.183 1.508 -3.470 116 1HD PRO 7 2HD PRO 7 -2.227 -0.352 -4.621 117 2HD PRO 7 1HD PRO 7 -0.478 -0.272 -4.920 118 H GLU 8 H GLU 8 -1.475 -0.972 0.718 119 HA GLU 8 HA GLU 8 -3.687 -2.816 0.584 120 1HB GLU 8 2HB GLU 8 -2.227 -1.639 2.956 121 2HB GLU 8 1HB GLU 8 -3.444 -2.907 3.052 122 1HG GLU 8 2HG GLU 8 -1.992 -4.282 1.551 123 2HG GLU 8 1HG GLU 8 -0.750 -3.049 1.737 124 H TYR 9 H TYR 9 -4.729 -0.781 -0.528 125 HA TYR 9 HA TYR 9 -5.948 1.075 1.299 126 1HB TYR 9 2HB TYR 9 -7.275 1.729 -0.805 127 2HB TYR 9 1HB TYR 9 -5.545 2.030 -0.792 128 HD1 TYR 9 HD1 TYR 9 -4.566 1.699 -2.837 129 HD2 TYR 9 HD2 TYR 9 -7.729 -0.899 -1.678 130 HE1 TYR 9 HE1 TYR 9 -4.330 0.474 -4.954 131 HE2 TYR 9 HE2 TYR 9 -7.497 -2.132 -3.790 132 HH TYR 9 HH TYR 9 -5.824 -2.536 -5.510 133 H PHE 10 HN PHE 10 -8.173 1.297 1.706 134 HA PHE 10 HA PHE 10 -10.040 -0.751 0.983 135 1HB PHE 10 2HB PHE 10 -8.737 -1.820 2.850 136 2HB PHE 10 1HB PHE 10 -9.237 -0.498 3.897 137 HD1 PHE 10 HD1 PHE 10 -10.752 -1.251 5.442 138 HD2 PHE 10 HD2 PHE 10 -11.059 -2.625 1.425 139 HE1 PHE 10 HE1 PHE 10 -12.795 -2.490 6.026 140 HE2 PHE 10 HE2 PHE 10 -13.105 -3.865 2.002 141 HZ PHE 10 HZ PHE 10 -13.976 -3.797 4.305 Start of MODEL 11 1 1H VAL 11 1HT VAL 11 1.975 6.610 -3.175 2 2H VAL 11 2HT VAL 11 3.558 6.281 -3.674 3 3H VAL 11 3HT VAL 11 3.284 7.053 -2.192 4 HA VAL 11 HA VAL 11 2.518 5.171 -1.168 5 HB VAL 11 HB VAL 11 1.972 3.077 -2.410 6 1HG1 VAL 11 1HG1 VAL 11 0.393 5.558 -3.061 7 2HG1 VAL 11 2HG1 VAL 11 0.162 4.458 -1.702 8 3HG1 VAL 11 3HG1 VAL 11 -0.192 3.918 -3.344 9 1HG2 VAL 11 1HG2 VAL 11 2.542 4.836 -4.767 10 2HG2 VAL 11 2HG2 VAL 11 1.388 3.508 -4.897 11 3HG2 VAL 11 3HG2 VAL 11 3.064 3.180 -4.458 12 H GLY 12 H GLY 12 4.016 3.957 -0.186 13 1HA GLY 12 2HA GLY 12 5.959 2.758 0.154 14 2HA GLY 12 1HA GLY 12 6.163 2.662 -1.588 15 H ILE 13 H ILE 13 6.833 4.735 -2.643 16 HA ILE 13 HA ILE 13 9.159 5.753 -1.291 17 HB ILE 13 HB ILE 13 7.976 6.561 -3.956 18 1HG1 ILE 13 2HG1 ILE 13 8.611 4.196 -3.920 19 2HG1 ILE 13 1HG1 ILE 13 9.712 5.117 -4.937 20 1HG2 ILE 13 1HG2 ILE 13 9.734 8.022 -2.565 21 2HG2 ILE 13 2HG2 ILE 13 9.749 7.920 -4.325 22 3HG2 ILE 13 3HG2 ILE 13 10.852 6.924 -3.375 23 1HD1 ILE 13 1HD1 ILE 13 11.330 5.154 -3.065 24 2HD1 ILE 13 2HD1 ILE 13 10.961 3.532 -3.651 25 3HD1 ILE 13 3HD1 ILE 13 10.238 4.114 -2.151 26 H GLY 14 H GLY 14 9.101 7.376 0.089 27 1HA GLY 14 2HA GLY 14 8.553 9.344 1.124 28 2HA GLY 14 1HA GLY 14 7.944 9.880 -0.430 29 H THR 15 H THR 15 6.557 7.039 0.936 30 HA THR 15 HA THR 15 4.463 8.369 2.381 31 HB THR 15 HB THR 15 2.813 7.015 0.677 32 HG1 THR 15 HG1 THR 15 5.053 7.933 -0.776 33 1HG2 THR 15 1HG2 THR 15 1.964 9.054 1.135 34 2HG2 THR 15 2HG2 THR 15 2.695 9.494 -0.409 35 3HG2 THR 15 3HG2 THR 15 3.545 9.835 1.098 36 HA PRO 16 HA PRO 16 4.919 4.358 4.305 37 1HB PRO 16 2HB PRO 16 2.493 5.211 5.773 38 2HB PRO 16 1HB PRO 16 4.067 4.711 6.399 39 1HG PRO 16 2HG PRO 16 3.307 7.272 6.463 40 2HG PRO 16 1HG PRO 16 4.990 6.818 6.136 41 1HD PRO 16 2HD PRO 16 2.860 7.706 4.230 42 2HD PRO 16 1HD PRO 16 4.589 8.111 4.257 43 H ILE 17 H ILE 17 1.703 5.588 3.438 44 HA ILE 17 HA ILE 17 0.481 3.043 3.268 45 HB ILE 17 HB ILE 17 -1.329 4.198 2.025 46 1HG1 ILE 17 2HG1 ILE 17 0.359 6.683 2.397 47 2HG1 ILE 17 1HG1 ILE 17 0.155 5.843 0.863 48 1HG2 ILE 17 1HG2 ILE 17 -0.316 5.353 4.604 49 2HG2 ILE 17 2HG2 ILE 17 -1.587 4.156 4.354 50 3HG2 ILE 17 3HG2 ILE 17 -1.860 5.839 3.904 51 1HD1 ILE 17 1HD1 ILE 17 -1.391 7.518 0.675 52 2HD1 ILE 17 2HD1 ILE 17 -1.786 7.497 2.394 53 3HD1 ILE 17 3HD1 ILE 17 -2.384 6.218 1.336 54 H SER 18 H SER 18 0.178 1.688 1.582 55 HA SER 18 HA SER 18 0.903 2.396 -1.106 56 1HB SER 18 2HB SER 18 2.554 0.375 -1.137 57 2HB SER 18 1HB SER 18 3.114 1.931 -0.528 58 HG SER 18 HG SER 18 3.073 1.179 1.503 59 H PHE 19 H PHE 19 1.152 -0.117 -2.196 60 HA PHE 19 HA PHE 19 -1.177 -1.645 -1.270 61 1HB PHE 19 2HB PHE 19 -0.785 -0.679 -4.115 62 2HB PHE 19 1HB PHE 19 -2.011 -1.827 -3.602 63 HD1 PHE 19 HD1 PHE 19 -0.892 1.687 -3.265 64 HD2 PHE 19 HD2 PHE 19 -4.063 -1.100 -2.738 65 HE1 PHE 19 HE1 PHE 19 -2.446 3.543 -2.832 66 HE2 PHE 19 HE2 PHE 19 -5.622 0.751 -2.304 67 HZ PHE 19 HZ PHE 19 -4.815 3.076 -2.351 68 H TYR 20 H TYR 20 -1.398 -3.648 -2.711 69 HA TYR 20 HA TYR 20 0.955 -4.700 -3.935 70 1HB TYR 20 2HB TYR 20 1.360 -6.555 -2.405 71 2HB TYR 20 1HB TYR 20 1.613 -5.026 -1.593 72 HD1 TYR 20 HD1 TYR 20 -0.533 -7.995 -1.821 73 HD2 TYR 20 HD2 TYR 20 0.163 -4.334 0.222 74 HE1 TYR 20 HE1 TYR 20 -2.058 -8.711 -0.030 75 HE2 TYR 20 HE2 TYR 20 -1.356 -5.038 2.020 76 HH TYR 20 HH TYR 20 -2.794 -6.581 2.715 77 H GLY 21 HN GLY 21 0.602 -6.949 -4.627 78 1HA GLY 21 2HA GLY 21 -0.670 -8.504 -5.742 79 2HA GLY 21 1HA GLY 21 -1.869 -8.261 -4.480 80 2H GLY 1 H GLY 1 2.528 -2.047 -0.751 81 1HA GLY 1 2HA GLY 1 5.145 -1.812 0.479 82 2HA GLY 1 1HA GLY 1 4.981 -3.127 -0.674 83 H GLY 2 H GLY 2 3.251 -1.840 -2.502 84 1HA GLY 2 2HA GLY 2 4.399 0.652 -3.353 85 2HA GLY 2 1HA GLY 2 4.968 -0.711 -4.297 86 H ALA 3 H ALA 3 3.937 -0.797 -6.115 87 HA ALA 3 HA ALA 3 1.233 0.186 -6.400 88 1HB ALA 3 1HB ALA 3 2.012 0.611 -8.446 89 2HB ALA 3 2HB ALA 3 1.971 -1.123 -8.762 90 3HB ALA 3 3HB ALA 3 3.448 -0.372 -8.159 91 H GLY 4 H GLY 4 -0.592 -1.056 -6.566 92 1HA GLY 4 2HA GLY 4 -0.666 -3.769 -7.269 93 2HA GLY 4 1HA GLY 4 -0.587 -3.659 -5.517 94 H HIS 5 H HIS 5 -2.621 -4.348 -5.017 95 HA HIS 5 HA HIS 5 -4.803 -2.587 -5.916 96 1HB HIS 5 2HB HIS 5 -4.948 -5.595 -5.619 97 2HB HIS 5 1HB HIS 5 -6.331 -4.548 -5.915 98 HD1 HIS 5 HD1 HIS 5 -3.098 -5.642 -7.585 99 HD2 HIS 5 HD2 HIS 5 -6.819 -4.032 -8.548 100 HE1 HIS 5 HE1 HIS 5 -3.182 -5.568 -10.100 101 HE2 HIS 5 HE2 HIS 5 -5.390 -4.491 -10.655 102 H VAL 6 H VAL 6 -3.757 -4.944 -3.470 103 HA VAL 6 HA VAL 6 -5.723 -3.932 -1.581 104 HB VAL 6 HB VAL 6 -3.545 -5.967 -1.076 105 1HG1 VAL 6 1HG1 VAL 6 -5.208 -4.697 0.698 106 2HG1 VAL 6 2HG1 VAL 6 -4.412 -6.248 0.965 107 3HG1 VAL 6 3HG1 VAL 6 -6.070 -6.200 0.366 108 1HG2 VAL 6 1HG2 VAL 6 -6.199 -7.066 -1.409 109 2HG2 VAL 6 2HG2 VAL 6 -4.682 -7.534 -2.176 110 3HG2 VAL 6 3HG2 VAL 6 -5.655 -6.236 -2.867 111 HA PRO 7 HA PRO 7 -2.847 -0.866 -0.098 112 1HB PRO 7 2HB PRO 7 -4.280 -0.094 2.089 113 2HB PRO 7 1HB PRO 7 -4.650 0.432 0.443 114 1HG PRO 7 2HG PRO 7 -5.918 -1.732 2.074 115 2HG PRO 7 1HG PRO 7 -6.683 -0.532 1.015 116 1HD PRO 7 2HD PRO 7 -6.264 -3.091 0.246 117 2HD PRO 7 1HD PRO 7 -6.212 -1.733 -0.896 118 H GLU 8 H GLU 8 -1.153 -0.890 1.241 119 HA GLU 8 HA GLU 8 -0.805 -3.112 3.054 120 1HB GLU 8 2HB GLU 8 1.022 -0.830 2.279 121 2HB GLU 8 1HB GLU 8 1.473 -2.101 3.407 122 1HG GLU 8 2HG GLU 8 1.073 -3.759 1.610 123 2HG GLU 8 1HG GLU 8 0.795 -2.420 0.498 124 H TYR 9 H TYR 9 -2.796 -1.980 4.123 125 HA TYR 9 HA TYR 9 -2.137 0.168 5.924 126 1HB TYR 9 2HB TYR 9 -4.400 -0.058 4.993 127 2HB TYR 9 1HB TYR 9 -4.605 -1.581 5.844 128 HD1 TYR 9 HD1 TYR 9 -5.932 -1.442 7.723 129 HD2 TYR 9 HD2 TYR 9 -3.510 1.899 6.688 130 HE1 TYR 9 HE1 TYR 9 -6.792 -0.220 9.676 131 HE2 TYR 9 HE2 TYR 9 -4.361 3.129 8.639 132 HH TYR 9 HH TYR 9 -5.479 2.109 11.099 133 H PHE 10 HN PHE 10 -2.244 0.042 8.183 134 HA PHE 10 HA PHE 10 -2.195 -2.457 9.565 135 1HB PHE 10 2HB PHE 10 0.149 -2.010 10.508 136 2HB PHE 10 1HB PHE 10 0.057 -2.665 8.880 137 HD1 PHE 10 HD1 PHE 10 0.063 0.726 10.480 138 HD2 PHE 10 HD2 PHE 10 1.543 -1.797 7.389 139 HE1 PHE 10 HE1 PHE 10 1.461 2.571 9.648 140 HE2 PHE 10 HE2 PHE 10 2.943 0.043 6.552 141 HZ PHE 10 HZ PHE 10 2.904 2.231 7.681 Start of MODEL 12 1 1H VAL 11 1HT VAL 11 0.180 5.997 1.522 2 2H VAL 11 2HT VAL 11 0.005 4.816 2.723 3 3H VAL 11 3HT VAL 11 1.067 4.556 1.432 4 HA VAL 11 HA VAL 11 2.178 6.717 2.281 5 HB VAL 11 HB VAL 11 0.941 5.605 4.811 6 1HG1 VAL 11 1HG1 VAL 11 2.683 8.034 4.407 7 2HG1 VAL 11 2HG1 VAL 11 3.226 6.494 5.073 8 3HG1 VAL 11 3HG1 VAL 11 2.025 7.454 5.937 9 1HG2 VAL 11 1HG2 VAL 11 -0.362 7.609 4.957 10 2HG2 VAL 11 2HG2 VAL 11 -0.655 6.877 3.379 11 3HG2 VAL 11 3HG2 VAL 11 0.410 8.275 3.518 12 H GLY 12 H GLY 12 4.271 6.193 2.551 13 1HA GLY 12 2HA GLY 12 5.340 4.180 4.117 14 2HA GLY 12 1HA GLY 12 5.047 3.465 2.537 15 H ILE 13 H ILE 13 7.008 3.280 1.663 16 HA ILE 13 HA ILE 13 9.042 5.274 1.998 17 HB ILE 13 HB ILE 13 10.360 3.891 0.386 18 1HG1 ILE 13 2HG1 ILE 13 8.263 2.923 -0.745 19 2HG1 ILE 13 1HG1 ILE 13 9.606 1.826 -0.459 20 1HG2 ILE 13 1HG2 ILE 13 10.899 2.232 1.965 21 2HG2 ILE 13 2HG2 ILE 13 9.269 2.232 2.638 22 3HG2 ILE 13 3HG2 ILE 13 10.327 3.620 2.890 23 1HD1 ILE 13 1HD1 ILE 13 7.509 0.745 0.039 24 2HD1 ILE 13 2HD1 ILE 13 7.083 2.027 1.173 25 3HD1 ILE 13 3HD1 ILE 13 8.440 0.956 1.523 26 H GLY 14 H GLY 14 7.221 6.796 1.074 27 1HA GLY 14 2HA GLY 14 7.281 8.494 -0.582 28 2HA GLY 14 1HA GLY 14 8.028 7.354 -1.692 29 H THR 15 H THR 15 6.016 5.304 -0.879 30 HA THR 15 HA THR 15 4.161 5.756 -2.953 31 HB THR 15 HB THR 15 2.983 3.736 -1.867 32 HG1 THR 15 HG1 THR 15 4.239 2.645 -0.324 33 1HG2 THR 15 1HG2 THR 15 5.877 3.343 -2.615 34 2HG2 THR 15 2HG2 THR 15 4.614 3.703 -3.792 35 3HG2 THR 15 3HG2 THR 15 4.538 2.218 -2.843 36 HA PRO 16 HA PRO 16 1.330 8.359 -0.675 37 1HB PRO 16 2HB PRO 16 -0.428 7.981 -2.999 38 2HB PRO 16 1HB PRO 16 0.296 9.464 -2.373 39 1HG PRO 16 2HG PRO 16 1.112 8.345 -4.680 40 2HG PRO 16 1HG PRO 16 2.229 9.197 -3.599 41 1HD PRO 16 2HD PRO 16 1.803 6.252 -3.948 42 2HD PRO 16 1HD PRO 16 3.320 7.155 -3.742 43 H ILE 17 H ILE 17 -0.060 5.711 -2.606 44 HA ILE 17 HA ILE 17 -2.260 5.334 -0.820 45 HB ILE 17 HB ILE 17 -2.779 3.349 -2.192 46 1HG1 ILE 17 2HG1 ILE 17 -0.297 4.099 -3.755 47 2HG1 ILE 17 1HG1 ILE 17 -0.433 2.700 -2.695 48 1HG2 ILE 17 1HG2 ILE 17 -2.398 6.062 -3.280 49 2HG2 ILE 17 2HG2 ILE 17 -3.858 5.081 -3.156 50 3HG2 ILE 17 3HG2 ILE 17 -2.709 4.790 -4.461 51 1HD1 ILE 17 1HD1 ILE 17 -2.587 2.458 -4.417 52 2HD1 ILE 17 2HD1 ILE 17 -1.071 1.558 -4.482 53 3HD1 ILE 17 3HD1 ILE 17 -1.266 3.029 -5.437 54 H SER 18 H SER 18 -2.704 3.209 0.246 55 HA SER 18 HA SER 18 -0.330 2.412 1.703 56 1HB SER 18 2HB SER 18 -2.230 0.964 2.876 57 2HB SER 18 1HB SER 18 -1.950 2.658 3.264 58 HG SER 18 HG SER 18 -4.203 1.905 2.707 59 H PHE 19 H PHE 19 0.153 0.236 2.171 60 HA PHE 19 HA PHE 19 -0.736 -1.776 0.229 61 1HB PHE 19 2HB PHE 19 2.166 -1.104 0.777 62 2HB PHE 19 1HB PHE 19 1.615 -2.507 -0.123 63 HD1 PHE 19 HD1 PHE 19 1.759 1.189 -0.160 64 HD2 PHE 19 HD2 PHE 19 1.142 -2.368 -2.407 65 HE1 PHE 19 HE1 PHE 19 1.866 2.491 -2.243 66 HE2 PHE 19 HE2 PHE 19 1.244 -1.073 -4.494 67 HZ PHE 19 HZ PHE 19 1.608 1.360 -4.414 68 H TYR 20 H TYR 20 0.421 -3.899 0.800 69 HA TYR 20 HA TYR 20 1.161 -4.334 3.521 70 1HB TYR 20 2HB TYR 20 -0.650 -5.861 4.123 71 2HB TYR 20 1HB TYR 20 -1.265 -4.247 3.839 72 HD1 TYR 20 HD1 TYR 20 -2.843 -3.823 2.088 73 HD2 TYR 20 HD2 TYR 20 -1.082 -7.671 2.478 74 HE1 TYR 20 HE1 TYR 20 -4.515 -4.735 0.538 75 HE2 TYR 20 HE2 TYR 20 -2.744 -8.595 0.919 76 HH TYR 20 HH TYR 20 -4.940 -6.548 -0.851 77 H GLY 21 HN GLY 21 1.583 -6.648 3.904 78 1HA GLY 21 2HA GLY 21 2.662 -8.585 3.308 79 2HA GLY 21 1HA GLY 21 1.605 -8.600 1.904 80 2H GLY 1 H GLY 1 -1.463 -1.120 3.904 81 1HA GLY 1 2HA GLY 1 -2.842 0.405 5.999 82 2HA GLY 1 1HA GLY 1 -1.815 -0.933 6.490 83 H GLY 2 H GLY 2 0.290 -0.666 4.728 84 1HA GLY 2 2HA GLY 2 1.286 2.038 4.750 85 2HA GLY 2 1HA GLY 2 2.029 1.012 5.963 86 H ALA 3 H ALA 3 3.951 0.489 5.264 87 HA ALA 3 HA ALA 3 4.626 0.237 2.504 88 1HB ALA 3 1HB ALA 3 6.033 0.461 4.931 89 2HB ALA 3 2HB ALA 3 6.694 0.447 3.296 90 3HB ALA 3 3HB ALA 3 6.540 -1.061 4.198 91 H GLY 4 H GLY 4 4.631 -1.543 1.240 92 1HA GLY 4 2HA GLY 4 4.864 -4.196 2.158 93 2HA GLY 4 1HA GLY 4 3.163 -3.815 1.921 94 H HIS 5 H HIS 5 2.760 -5.080 0.145 95 HA HIS 5 HA HIS 5 4.171 -4.260 -2.303 96 1HB HIS 5 2HB HIS 5 3.444 -7.098 -1.550 97 2HB HIS 5 1HB HIS 5 4.043 -6.602 -3.128 98 HD1 HIS 5 HD1 HIS 5 5.159 -6.765 0.497 99 HD2 HIS 5 HD2 HIS 5 6.764 -6.515 -3.341 100 HE1 HIS 5 HE1 HIS 5 7.651 -6.972 0.783 101 HE2 HIS 5 HE2 HIS 5 8.605 -6.710 -1.533 102 H VAL 6 H VAL 6 1.286 -5.865 -0.979 103 HA VAL 6 HA VAL 6 -0.176 -5.263 -3.436 104 HB VAL 6 HB VAL 6 -1.219 -6.631 -0.950 105 1HG1 VAL 6 1HG1 VAL 6 -2.610 -5.645 -3.070 106 2HG1 VAL 6 2HG1 VAL 6 -3.139 -6.988 -2.057 107 3HG1 VAL 6 3HG1 VAL 6 -2.316 -7.306 -3.584 108 1HG2 VAL 6 1HG2 VAL 6 -0.092 -8.473 -1.467 109 2HG2 VAL 6 2HG2 VAL 6 0.746 -7.580 -2.736 110 3HG2 VAL 6 3HG2 VAL 6 -0.745 -8.447 -3.106 111 HA PRO 7 HA PRO 7 -1.608 -1.408 -1.703 112 1HB PRO 7 2HB PRO 7 -3.714 -1.623 -3.765 113 2HB PRO 7 1HB PRO 7 -2.512 -0.354 -3.512 114 1HG PRO 7 2HG PRO 7 -2.316 -2.065 -5.561 115 2HG PRO 7 1HG PRO 7 -0.880 -1.478 -4.702 116 1HD PRO 7 2HD PRO 7 -2.284 -4.111 -4.468 117 2HD PRO 7 1HD PRO 7 -0.543 -3.759 -4.478 118 H GLU 8 H GLU 8 -3.120 -0.815 -0.240 119 HA GLU 8 HA GLU 8 -5.012 -2.805 0.653 120 1HB GLU 8 2HB GLU 8 -4.293 -0.050 1.646 121 2HB GLU 8 1HB GLU 8 -5.583 -1.002 2.365 122 1HG GLU 8 2HG GLU 8 -3.968 -2.762 2.899 123 2HG GLU 8 1HG GLU 8 -2.680 -1.774 2.210 124 H TYR 9 H TYR 9 -5.834 -2.355 -1.748 125 HA TYR 9 HA TYR 9 -8.331 -0.877 -1.399 126 1HB TYR 9 2HB TYR 9 -6.563 -0.504 -3.831 127 2HB TYR 9 1HB TYR 9 -8.146 0.219 -3.579 128 HD1 TYR 9 HD1 TYR 9 -8.406 2.190 -2.250 129 HD2 TYR 9 HD2 TYR 9 -4.624 0.255 -2.481 130 HE1 TYR 9 HE1 TYR 9 -7.347 4.139 -1.186 131 HE2 TYR 9 HE2 TYR 9 -3.559 2.193 -1.416 132 HH TYR 9 HH TYR 9 -5.465 4.927 -0.241 133 H PHE 10 HN PHE 10 -9.982 -1.522 -2.884 134 HA PHE 10 HA PHE 10 -9.563 -3.710 -4.676 135 1HB PHE 10 2HB PHE 10 -11.172 -5.231 -3.470 136 2HB PHE 10 1HB PHE 10 -9.616 -5.040 -2.674 137 HD1 PHE 10 HD1 PHE 10 -9.567 -4.591 -0.418 138 HD2 PHE 10 HD2 PHE 10 -13.072 -3.614 -2.628 139 HE1 PHE 10 HE1 PHE 10 -10.709 -3.971 1.670 140 HE2 PHE 10 HE2 PHE 10 -14.215 -2.988 -0.543 141 HZ PHE 10 HZ PHE 10 -13.034 -3.166 1.610 Start of MODEL 13 1 1H VAL 11 1HT VAL 11 7.086 5.812 -1.636 2 2H VAL 11 2HT VAL 11 6.962 7.150 -0.609 3 3H VAL 11 3HT VAL 11 5.590 6.581 -1.424 4 HA VAL 11 HA VAL 11 5.388 4.719 -0.107 5 HB VAL 11 HB VAL 11 8.182 5.268 0.932 6 1HG1 VAL 11 1HG1 VAL 11 6.282 2.993 1.494 7 2HG1 VAL 11 2HG1 VAL 11 6.787 4.245 2.629 8 3HG1 VAL 11 3HG1 VAL 11 7.961 3.074 2.029 9 1HG2 VAL 11 1HG2 VAL 11 7.658 4.265 -1.492 10 2HG2 VAL 11 2HG2 VAL 11 7.550 2.783 -0.542 11 3HG2 VAL 11 3HG2 VAL 11 9.029 3.742 -0.514 12 H GLY 12 H GLY 12 3.953 5.239 1.410 13 1HA GLY 12 2HA GLY 12 3.012 6.208 3.275 14 2HA GLY 12 1HA GLY 12 4.626 6.717 3.754 15 H ILE 13 H ILE 13 5.457 8.686 2.933 16 HA ILE 13 HA ILE 13 3.481 10.739 2.660 17 HB ILE 13 HB ILE 13 6.483 10.902 2.308 18 1HG1 ILE 13 2HG1 ILE 13 5.882 10.142 4.551 19 2HG1 ILE 13 1HG1 ILE 13 6.496 11.790 4.609 20 1HG2 ILE 13 1HG2 ILE 13 6.169 12.992 1.639 21 2HG2 ILE 13 2HG2 ILE 13 5.403 13.352 3.186 22 3HG2 ILE 13 3HG2 ILE 13 4.423 12.817 1.821 23 1HD1 ILE 13 1HD1 ILE 13 4.696 12.303 5.792 24 2HD1 ILE 13 2HD1 ILE 13 3.950 10.741 5.453 25 3HD1 ILE 13 3HD1 ILE 13 3.750 12.078 4.321 26 H GLY 14 H GLY 14 2.594 11.448 0.827 27 1HA GLY 14 2HA GLY 14 2.254 11.873 -1.408 28 2HA GLY 14 1HA GLY 14 3.978 11.650 -1.638 29 H THR 15 H THR 15 1.679 9.330 -0.366 30 HA THR 15 HA THR 15 1.637 7.808 -2.825 31 HB THR 15 HB THR 15 2.846 6.595 -0.324 32 HG1 THR 15 HG1 THR 15 3.961 7.997 -2.346 33 1HG2 THR 15 1HG2 THR 15 2.983 5.258 -2.969 34 2HG2 THR 15 2HG2 THR 15 1.425 5.244 -2.144 35 3HG2 THR 15 3HG2 THR 15 2.847 4.561 -1.354 36 HA PRO 16 HA PRO 16 -2.281 7.089 -0.775 37 1HB PRO 16 2HB PRO 16 -3.640 6.270 -2.929 38 2HB PRO 16 1HB PRO 16 -3.157 7.960 -2.737 39 1HG PRO 16 2HG PRO 16 -1.932 5.817 -4.418 40 2HG PRO 16 1HG PRO 16 -2.178 7.532 -4.791 41 1HD PRO 16 2HD PRO 16 0.207 6.412 -3.921 42 2HD PRO 16 1HD PRO 16 -0.212 8.132 -3.811 43 H ILE 17 H ILE 17 -3.774 4.930 -2.302 44 HA ILE 17 HA ILE 17 -3.219 2.771 -0.617 45 HB ILE 17 HB ILE 17 -4.606 1.408 -2.174 46 1HG1 ILE 17 2HG1 ILE 17 -4.812 3.980 -3.757 47 2HG1 ILE 17 1HG1 ILE 17 -3.906 2.559 -4.265 48 1HG2 ILE 17 1HG2 ILE 17 -5.762 2.499 -0.443 49 2HG2 ILE 17 2HG2 ILE 17 -6.676 2.857 -1.908 50 3HG2 ILE 17 3HG2 ILE 17 -5.604 4.075 -1.219 51 1HD1 ILE 17 1HD1 ILE 17 -6.880 2.749 -3.869 52 2HD1 ILE 17 2HD1 ILE 17 -6.007 1.268 -4.262 53 3HD1 ILE 17 3HD1 ILE 17 -6.016 2.615 -5.401 54 H SER 18 H SER 18 -1.929 1.043 -0.766 55 HA SER 18 HA SER 18 -0.638 0.262 -3.205 56 1HB SER 18 2HB SER 18 1.669 0.619 -1.949 57 2HB SER 18 1HB SER 18 0.936 1.916 -2.890 58 HG SER 18 HG SER 18 0.177 2.841 -1.019 59 H PHE 19 H PHE 19 1.539 -1.109 -1.965 60 HA PHE 19 HA PHE 19 0.112 -3.010 -0.215 61 1HB PHE 19 2HB PHE 19 2.020 -3.742 -2.447 62 2HB PHE 19 1HB PHE 19 1.202 -4.866 -1.372 63 HD1 PHE 19 HD1 PHE 19 -0.840 -5.774 -1.973 64 HD2 PHE 19 HD2 PHE 19 0.545 -2.283 -3.971 65 HE1 PHE 19 HE1 PHE 19 -2.684 -5.971 -3.588 66 HE2 PHE 19 HE2 PHE 19 -1.303 -2.468 -5.584 67 HZ PHE 19 HZ PHE 19 -2.920 -4.315 -5.394 68 H TYR 20 H TYR 20 1.793 -4.684 0.583 69 HA TYR 20 HA TYR 20 4.433 -3.697 1.103 70 1HB TYR 20 2HB TYR 20 4.233 -3.773 3.583 71 2HB TYR 20 1HB TYR 20 3.346 -2.451 2.855 72 HD1 TYR 20 HD1 TYR 20 1.337 -1.984 3.864 73 HD2 TYR 20 HD2 TYR 20 2.644 -6.029 3.771 74 HE1 TYR 20 HE1 TYR 20 -0.673 -2.657 5.107 75 HE2 TYR 20 HE2 TYR 20 0.635 -6.712 5.008 76 HH TYR 20 HH TYR 20 -1.998 -4.525 5.589 77 H GLY 21 HN GLY 21 5.671 -5.268 2.409 78 1HA GLY 21 2HA GLY 21 6.433 -7.411 2.716 79 2HA GLY 21 1HA GLY 21 4.763 -7.823 3.076 80 2H GLY 1 H GLY 1 1.350 0.940 0.517 81 1HA GLY 1 2HA GLY 1 2.534 2.862 1.880 82 2HA GLY 1 1HA GLY 1 3.523 1.496 2.384 83 H GLY 2 H GLY 2 3.299 0.119 -0.165 84 1HA GLY 2 2HA GLY 2 4.192 1.723 -2.309 85 2HA GLY 2 1HA GLY 2 5.583 1.099 -1.441 86 H ALA 3 H ALA 3 6.369 -0.452 -2.655 87 HA ALA 3 HA ALA 3 4.660 -2.261 -4.129 88 1HB ALA 3 1HB ALA 3 7.664 -2.157 -3.841 89 2HB ALA 3 2HB ALA 3 6.713 -1.516 -5.180 90 3HB ALA 3 3HB ALA 3 6.787 -3.256 -4.904 91 H GLY 4 H GLY 4 4.165 -4.327 -3.551 92 1HA GLY 4 2HA GLY 4 5.638 -5.899 -1.740 93 2HA GLY 4 1HA GLY 4 4.325 -5.113 -0.874 94 H HIS 5 H HIS 5 3.074 -6.887 -0.459 95 HA HIS 5 HA HIS 5 1.880 -8.152 -2.834 96 1HB HIS 5 2HB HIS 5 2.731 -9.584 -0.308 97 2HB HIS 5 1HB HIS 5 1.782 -10.308 -1.600 98 HD1 HIS 5 HD1 HIS 5 5.231 -8.829 -0.998 99 HD2 HIS 5 HD2 HIS 5 3.255 -11.397 -3.620 100 HE1 HIS 5 HE1 HIS 5 7.011 -9.767 -2.510 101 HE2 HIS 5 HE2 HIS 5 5.779 -11.218 -4.159 102 H VAL 6 H VAL 6 1.542 -7.481 0.637 103 HA VAL 6 HA VAL 6 -1.344 -7.899 0.442 104 HB VAL 6 HB VAL 6 0.285 -7.140 2.874 105 1HG1 VAL 6 1HG1 VAL 6 -2.245 -8.612 3.158 106 2HG1 VAL 6 2HG1 VAL 6 -2.397 -6.957 2.570 107 3HG1 VAL 6 3HG1 VAL 6 -1.592 -7.276 4.107 108 1HG2 VAL 6 1HG2 VAL 6 -0.319 -9.689 3.347 109 2HG2 VAL 6 2HG2 VAL 6 1.160 -9.207 2.514 110 3HG2 VAL 6 3HG2 VAL 6 -0.235 -9.759 1.587 111 HA PRO 7 HA PRO 7 -2.002 -3.561 -0.342 112 1HB PRO 7 2HB PRO 7 -4.742 -4.109 0.615 113 2HB PRO 7 1HB PRO 7 -4.199 -3.493 -0.949 114 1HG PRO 7 2HG PRO 7 -5.138 -5.988 -0.679 115 2HG PRO 7 1HG PRO 7 -3.818 -5.606 -1.800 116 1HD PRO 7 2HD PRO 7 -3.700 -6.875 0.907 117 2HD PRO 7 1HD PRO 7 -2.777 -7.260 -0.561 118 H GLU 8 H GLU 8 -1.924 -1.744 0.862 119 HA GLU 8 HA GLU 8 -1.835 -2.014 3.733 120 1HB GLU 8 2HB GLU 8 -1.604 0.585 2.234 121 2HB GLU 8 1HB GLU 8 -0.894 0.146 3.784 122 1HG GLU 8 2HG GLU 8 0.376 -1.637 2.408 123 2HG GLU 8 1HG GLU 8 -0.056 -0.627 1.034 124 H TYR 9 H TYR 9 -4.237 -2.671 3.298 125 HA TYR 9 HA TYR 9 -6.087 -0.467 3.223 126 1HB TYR 9 2HB TYR 9 -7.764 -2.339 3.828 127 2HB TYR 9 1HB TYR 9 -6.999 -2.374 2.248 128 HD1 TYR 9 HD1 TYR 9 -6.588 -4.515 1.544 129 HD2 TYR 9 HD2 TYR 9 -6.028 -3.610 5.663 130 HE1 TYR 9 HE1 TYR 9 -5.846 -6.823 1.946 131 HE2 TYR 9 HE2 TYR 9 -5.280 -5.915 6.074 132 HH TYR 9 HH TYR 9 -4.362 -7.794 4.874 133 H PHE 10 HN PHE 10 -7.493 0.168 4.890 134 HA PHE 10 HA PHE 10 -7.154 -0.775 7.573 135 1HB PHE 10 2HB PHE 10 -5.169 0.754 7.230 136 2HB PHE 10 1HB PHE 10 -6.305 2.069 6.956 137 HD1 PHE 10 HD1 PHE 10 -6.181 -0.677 9.481 138 HD2 PHE 10 HD2 PHE 10 -6.240 3.512 8.736 139 HE1 PHE 10 HE1 PHE 10 -6.265 -0.252 11.903 140 HE2 PHE 10 HE2 PHE 10 -6.324 3.945 11.157 141 HZ PHE 10 HZ PHE 10 -6.336 2.062 12.744 Start of MODEL 14 1 1H VAL 11 1HT VAL 11 3.364 4.437 1.011 2 2H VAL 11 2HT VAL 11 2.294 5.576 0.362 3 3H VAL 11 3HT VAL 11 3.068 5.891 1.830 4 HA VAL 11 HA VAL 11 4.810 6.767 0.838 5 HB VAL 11 HB VAL 11 5.656 4.475 0.470 6 1HG1 VAL 11 1HG1 VAL 11 4.412 4.600 -2.268 7 2HG1 VAL 11 2HG1 VAL 11 3.710 3.720 -0.910 8 3HG1 VAL 11 3HG1 VAL 11 5.291 3.255 -1.539 9 1HG2 VAL 11 1HG2 VAL 11 6.167 6.558 -1.620 10 2HG2 VAL 11 2HG2 VAL 11 7.014 5.011 -1.654 11 3HG2 VAL 11 3HG2 VAL 11 7.176 6.074 -0.256 12 H GLY 12 H GLY 12 5.118 8.335 -0.761 13 1HA GLY 12 2HA GLY 12 4.629 9.600 -2.648 14 2HA GLY 12 1HA GLY 12 3.523 8.338 -3.176 15 H ILE 13 H ILE 13 1.643 8.082 -1.533 16 HA ILE 13 HA ILE 13 0.262 10.626 -1.431 17 HB ILE 13 HB ILE 13 -0.695 7.898 -0.513 18 1HG1 ILE 13 2HG1 ILE 13 -0.094 7.843 -2.889 19 2HG1 ILE 13 1HG1 ILE 13 -1.838 7.735 -2.682 20 1HG2 ILE 13 1HG2 ILE 13 -2.461 9.001 0.261 21 2HG2 ILE 13 2HG2 ILE 13 -2.845 9.449 -1.401 22 3HG2 ILE 13 3HG2 ILE 13 -1.865 10.523 -0.402 23 1HD1 ILE 13 1HD1 ILE 13 -1.040 9.211 -4.546 24 2HD1 ILE 13 2HD1 ILE 13 -0.421 10.307 -3.311 25 3HD1 ILE 13 3HD1 ILE 13 -2.149 9.965 -3.401 26 H GLY 14 H GLY 14 -0.670 11.431 0.591 27 1HA GLY 14 2HA GLY 14 1.123 11.667 2.679 28 2HA GLY 14 1HA GLY 14 -0.591 12.007 2.813 29 H THR 15 H THR 15 -1.456 9.336 2.292 30 HA THR 15 HA THR 15 -1.233 8.268 4.924 31 HB THR 15 HB THR 15 -2.532 6.314 3.778 32 HG1 THR 15 HG1 THR 15 -3.572 6.998 1.846 33 1HG2 THR 15 1HG2 THR 15 -4.616 7.569 3.975 34 2HG2 THR 15 2HG2 THR 15 -3.719 9.087 3.943 35 3HG2 THR 15 3HG2 THR 15 -3.521 7.974 5.297 36 HA PRO 16 HA PRO 16 2.269 5.633 4.358 37 1HB PRO 16 2HB PRO 16 1.780 3.781 6.275 38 2HB PRO 16 1HB PRO 16 2.292 5.432 6.644 39 1HG PRO 16 2HG PRO 16 -0.458 4.247 6.689 40 2HG PRO 16 1HG PRO 16 0.313 5.329 7.865 41 1HD PRO 16 2HD PRO 16 -1.439 6.216 6.002 42 2HD PRO 16 1HD PRO 16 -0.089 7.207 6.591 43 H ILE 17 H ILE 17 0.249 5.129 2.445 44 HA ILE 17 HA ILE 17 -0.638 2.470 2.361 45 HB ILE 17 HB ILE 17 -1.030 2.792 -0.008 46 1HG1 ILE 17 2HG1 ILE 17 0.489 5.399 0.255 47 2HG1 ILE 17 1HG1 ILE 17 1.126 3.949 -0.513 48 1HG2 ILE 17 1HG2 ILE 17 -1.669 5.074 1.823 49 2HG2 ILE 17 2HG2 ILE 17 -2.709 3.755 1.285 50 3HG2 ILE 17 3HG2 ILE 17 -2.262 5.039 0.162 51 1HD1 ILE 17 1HD1 ILE 17 -0.778 4.066 -2.121 52 2HD1 ILE 17 2HD1 ILE 17 0.361 5.409 -2.220 53 3HD1 ILE 17 3HD1 ILE 17 -1.194 5.629 -1.417 54 H SER 18 H SER 18 0.164 0.641 1.450 55 HA SER 18 HA SER 18 2.726 0.546 0.144 56 1HB SER 18 2HB SER 18 3.459 -1.133 2.073 57 2HB SER 18 1HB SER 18 3.750 0.599 2.209 58 HG SER 18 HG SER 18 2.204 0.772 3.678 59 H PHE 19 H PHE 19 3.125 -2.263 0.880 60 HA PHE 19 HA PHE 19 0.730 -3.472 -0.338 61 1HB PHE 19 2HB PHE 19 3.612 -4.052 -1.066 62 2HB PHE 19 1HB PHE 19 2.229 -4.972 -1.641 63 HD1 PHE 19 HD1 PHE 19 3.648 -1.526 -1.632 64 HD2 PHE 19 HD2 PHE 19 1.191 -4.379 -3.614 65 HE1 PHE 19 HE1 PHE 19 3.429 0.000 -3.549 66 HE2 PHE 19 HE2 PHE 19 0.968 -2.859 -5.534 67 HZ PHE 19 HZ PHE 19 2.088 -0.666 -5.504 68 H TYR 20 H TYR 20 0.767 -5.898 -0.136 69 HA TYR 20 HA TYR 20 2.301 -6.985 2.057 70 1HB TYR 20 2HB TYR 20 0.403 -7.707 3.390 71 2HB TYR 20 1HB TYR 20 0.418 -5.963 3.259 72 HD1 TYR 20 HD1 TYR 20 -1.279 -9.041 2.129 73 HD2 TYR 20 HD2 TYR 20 -1.409 -4.792 2.245 74 HE1 TYR 20 HE1 TYR 20 -3.619 -9.097 1.377 75 HE2 TYR 20 HE2 TYR 20 -3.746 -4.836 1.494 76 HH TYR 20 HH TYR 20 -5.396 -6.115 0.688 77 H GLY 21 HN GLY 21 1.859 -9.292 2.344 78 1HA GLY 21 2HA GLY 21 1.730 -11.414 1.469 79 2HA GLY 21 1HA GLY 21 0.331 -10.836 0.577 80 2H GLY 1 H GLY 1 1.171 -1.441 3.754 81 1HA GLY 1 2HA GLY 1 1.196 -1.996 6.252 82 2HA GLY 1 1HA GLY 1 1.247 -3.662 5.692 83 H GLY 2 H GLY 2 2.950 -3.224 3.456 84 1HA GLY 2 2HA GLY 2 5.345 -1.894 4.068 85 2HA GLY 2 1HA GLY 2 5.463 -3.539 4.664 86 H ALA 3 H ALA 3 6.584 -4.684 3.325 87 HA ALA 3 HA ALA 3 6.443 -4.199 0.449 88 1HB ALA 3 1HB ALA 3 8.640 -4.576 0.674 89 2HB ALA 3 2HB ALA 3 8.213 -6.281 0.826 90 3HB ALA 3 3HB ALA 3 8.435 -5.295 2.272 91 H GLY 4 H GLY 4 5.373 -5.551 -0.918 92 1HA GLY 4 2HA GLY 4 4.925 -8.295 -0.410 93 2HA GLY 4 1HA GLY 4 3.495 -7.374 0.033 94 H HIS 5 H HIS 5 2.106 -8.005 -1.544 95 HA HIS 5 HA HIS 5 2.858 -7.248 -4.288 96 1HB HIS 5 2HB HIS 5 1.333 -9.742 -3.507 97 2HB HIS 5 1HB HIS 5 1.604 -9.195 -5.156 98 HD1 HIS 5 HD1 HIS 5 3.554 -10.440 -2.141 99 HD2 HIS 5 HD2 HIS 5 3.934 -10.065 -6.275 100 HE1 HIS 5 HE1 HIS 5 5.711 -11.590 -2.737 101 HE2 HIS 5 HE2 HIS 5 5.984 -11.236 -5.216 102 H VAL 6 H VAL 6 0.201 -7.926 -2.033 103 HA VAL 6 HA VAL 6 -1.706 -6.578 -3.758 104 HB VAL 6 HB VAL 6 -2.156 -7.564 -0.937 105 1HG1 VAL 6 1HG1 VAL 6 -3.763 -6.063 -2.630 106 2HG1 VAL 6 2HG1 VAL 6 -4.278 -6.943 -1.191 107 3HG1 VAL 6 3HG1 VAL 6 -4.384 -7.707 -2.777 108 1HG2 VAL 6 1HG2 VAL 6 -3.137 -9.220 -3.150 109 2HG2 VAL 6 2HG2 VAL 6 -2.388 -9.689 -1.624 110 3HG2 VAL 6 3HG2 VAL 6 -1.382 -9.182 -2.980 111 HA PRO 7 HA PRO 7 -0.738 -2.642 -1.929 112 1HB PRO 7 2HB PRO 7 -3.167 -1.663 -3.240 113 2HB PRO 7 1HB PRO 7 -1.482 -1.224 -3.529 114 1HG PRO 7 2HG PRO 7 -2.921 -2.668 -5.299 115 2HG PRO 7 1HG PRO 7 -1.175 -2.892 -5.084 116 1HD PRO 7 2HD PRO 7 -3.443 -4.537 -4.026 117 2HD PRO 7 1HD PRO 7 -1.887 -5.064 -4.704 118 H GLU 8 H GLU 8 -1.185 -1.915 0.010 119 HA GLU 8 HA GLU 8 -3.880 -2.257 1.113 120 1HB GLU 8 2HB GLU 8 -2.464 -1.643 3.309 121 2HB GLU 8 1HB GLU 8 -2.671 -3.292 2.743 122 1HG GLU 8 2HG GLU 8 -0.512 -3.202 1.643 123 2HG GLU 8 1HG GLU 8 -0.299 -1.535 2.161 124 H TYR 9 H TYR 9 -4.442 -0.451 -0.157 125 HA TYR 9 HA TYR 9 -3.310 2.130 0.334 126 1HB TYR 9 2HB TYR 9 -4.298 1.579 -1.830 127 2HB TYR 9 1HB TYR 9 -5.867 1.345 -1.078 128 HD1 TYR 9 HD1 TYR 9 -3.224 3.971 -1.402 129 HD2 TYR 9 HD2 TYR 9 -7.380 3.086 -1.184 130 HE1 TYR 9 HE1 TYR 9 -3.743 6.346 -1.763 131 HE2 TYR 9 HE2 TYR 9 -7.909 5.459 -1.547 132 HH TYR 9 HH TYR 9 -6.302 7.796 -1.022 133 H PHE 10 HN PHE 10 -4.387 3.907 1.197 134 HA PHE 10 HA PHE 10 -6.760 3.657 2.778 135 1HB PHE 10 2HB PHE 10 -5.024 2.638 4.271 136 2HB PHE 10 1HB PHE 10 -4.120 4.144 4.193 137 HD1 PHE 10 HD1 PHE 10 -4.207 5.224 6.208 138 HD2 PHE 10 HD2 PHE 10 -7.732 3.356 4.725 139 HE1 PHE 10 HE1 PHE 10 -5.468 6.078 8.140 140 HE2 PHE 10 HE2 PHE 10 -9.000 4.209 6.653 141 HZ PHE 10 HZ PHE 10 -7.868 5.572 8.364 Start of MODEL 15 1 1H VAL 11 1HT VAL 11 4.058 6.266 4.669 2 2H VAL 11 2HT VAL 11 4.711 4.862 5.357 3 3H VAL 11 3HT VAL 11 4.146 6.107 6.352 4 HA VAL 11 HA VAL 11 2.439 4.541 4.512 5 HB VAL 11 HB VAL 11 2.596 4.340 7.528 6 1HG1 VAL 11 1HG1 VAL 11 1.183 2.527 5.582 7 2HG1 VAL 11 2HG1 VAL 11 0.399 3.869 6.415 8 3HG1 VAL 11 3HG1 VAL 11 1.067 2.525 7.342 9 1HG2 VAL 11 1HG2 VAL 11 3.824 2.624 5.391 10 2HG2 VAL 11 2HG2 VAL 11 3.474 2.003 7.005 11 3HG2 VAL 11 3HG2 VAL 11 4.594 3.350 6.802 12 H GLY 12 H GLY 12 0.459 5.440 4.232 13 1HA GLY 12 2HA GLY 12 -1.363 6.810 4.570 14 2HA GLY 12 1HA GLY 12 -0.782 7.094 6.206 15 H ILE 13 H ILE 13 -0.294 9.135 6.618 16 HA ILE 13 HA ILE 13 -0.165 11.120 4.628 17 HB ILE 13 HB ILE 13 0.542 12.673 6.368 18 1HG1 ILE 13 2HG1 ILE 13 2.054 11.018 7.569 19 2HG1 ILE 13 1HG1 ILE 13 1.084 12.062 8.598 20 1HG2 ILE 13 1HG2 ILE 13 -1.745 12.475 6.359 21 2HG2 ILE 13 2HG2 ILE 13 -1.362 12.109 8.042 22 3HG2 ILE 13 3HG2 ILE 13 -1.712 10.800 6.912 23 1HD1 ILE 13 1HD1 ILE 13 0.654 9.149 8.000 24 2HD1 ILE 13 2HD1 ILE 13 -0.537 10.159 8.820 25 3HD1 ILE 13 3HD1 ILE 13 1.048 9.898 9.548 26 H GLY 14 H GLY 14 1.488 12.060 3.572 27 1HA GLY 14 2HA GLY 14 3.617 12.434 2.785 28 2HA GLY 14 1HA GLY 14 4.215 11.848 4.327 29 H THR 15 H THR 15 2.181 10.048 2.132 30 HA THR 15 HA THR 15 4.372 8.497 1.068 31 HB THR 15 HB THR 15 2.323 7.163 2.861 32 HG1 THR 15 HG1 THR 15 4.653 8.322 3.453 33 1HG2 THR 15 1HG2 THR 15 3.271 5.948 0.757 34 2HG2 THR 15 2HG2 THR 15 3.235 5.105 2.306 35 3HG2 THR 15 3HG2 THR 15 4.741 5.814 1.722 36 HA PRO 16 HA PRO 16 1.146 8.383 -2.027 37 1HB PRO 16 2HB PRO 16 2.626 7.447 -4.055 38 2HB PRO 16 1HB PRO 16 2.850 9.088 -3.437 39 1HG PRO 16 2HG PRO 16 4.483 6.636 -2.943 40 2HG PRO 16 1HG PRO 16 5.016 8.307 -3.194 41 1HD PRO 16 2HD PRO 16 4.774 7.069 -0.726 42 2HD PRO 16 1HD PRO 16 4.787 8.823 -0.987 43 H ILE 17 H ILE 17 1.456 6.321 -4.074 44 HA ILE 17 HA ILE 17 -0.003 4.241 -2.833 45 HB ILE 17 HB ILE 17 -0.459 4.639 -5.111 46 1HG1 ILE 17 2HG1 ILE 17 1.073 2.041 -4.953 47 2HG1 ILE 17 1HG1 ILE 17 -0.584 2.281 -4.409 48 1HG2 ILE 17 1HG2 ILE 17 1.224 4.305 -6.906 49 2HG2 ILE 17 2HG2 ILE 17 2.458 4.133 -5.658 50 3HG2 ILE 17 3HG2 ILE 17 1.589 5.658 -5.834 51 1HD1 ILE 17 1HD1 ILE 17 0.188 2.841 -7.242 52 2HD1 ILE 17 2HD1 ILE 17 -1.397 2.457 -6.570 53 3HD1 ILE 17 3HD1 ILE 17 -0.166 1.200 -6.701 54 H SER 18 H SER 18 0.563 2.258 -2.208 55 HA SER 18 HA SER 18 3.211 1.204 -2.602 56 1HB SER 18 2HB SER 18 3.440 0.981 -0.003 57 2HB SER 18 1HB SER 18 3.905 2.488 -0.791 58 HG SER 18 HG SER 18 1.914 3.368 -0.197 59 H PHE 19 H PHE 19 3.268 -0.726 -0.654 60 HA PHE 19 HA PHE 19 0.712 -2.167 -0.886 61 1HB PHE 19 2HB PHE 19 3.425 -3.359 -1.516 62 2HB PHE 19 1HB PHE 19 1.900 -4.230 -1.493 63 HD1 PHE 19 HD1 PHE 19 3.742 -1.526 -3.247 64 HD2 PHE 19 HD2 PHE 19 0.572 -4.359 -3.402 65 HE1 PHE 19 HE1 PHE 19 3.434 -1.044 -5.639 66 HE2 PHE 19 HE2 PHE 19 0.258 -3.881 -5.794 67 HZ PHE 19 HZ PHE 19 1.690 -2.223 -6.916 68 H TYR 20 H TYR 20 1.037 -4.351 0.332 69 HA TYR 20 HA TYR 20 2.755 -4.353 2.606 70 1HB TYR 20 2HB TYR 20 1.060 -4.227 4.355 71 2HB TYR 20 1HB TYR 20 1.109 -2.735 3.440 72 HD1 TYR 20 HD1 TYR 20 -0.860 -5.739 4.195 73 HD2 TYR 20 HD2 TYR 20 -0.776 -2.053 2.082 74 HE1 TYR 20 HE1 TYR 20 -3.285 -5.903 3.825 75 HE2 TYR 20 HE2 TYR 20 -3.200 -2.202 1.708 76 HH TYR 20 HH TYR 20 -4.978 -3.666 1.737 77 H GLY 21 HN GLY 21 2.304 -6.226 3.999 78 1HA GLY 21 2HA GLY 21 1.990 -8.490 4.239 79 2HA GLY 21 1HA GLY 21 0.492 -8.261 3.348 80 2H GLY 1 H GLY 1 2.020 -0.182 2.000 81 1HA GLY 1 2HA GLY 1 2.455 2.247 3.560 82 2HA GLY 1 1HA GLY 1 2.789 0.723 4.366 83 H GLY 2 H GLY 2 3.806 -0.614 2.026 84 1HA GLY 2 2HA GLY 2 5.972 0.843 0.890 85 2HA GLY 2 1HA GLY 2 6.511 -0.109 2.261 86 H ALA 3 H ALA 3 7.479 -1.832 1.524 87 HA ALA 3 HA ALA 3 6.757 -3.088 -0.958 88 1HB ALA 3 1HB ALA 3 9.040 -3.038 0.630 89 2HB ALA 3 2HB ALA 3 8.794 -3.993 -0.832 90 3HB ALA 3 3HB ALA 3 8.455 -4.698 0.749 91 H GLY 4 H GLY 4 5.486 -4.865 -1.248 92 1HA GLY 4 2HA GLY 4 4.916 -6.808 0.692 93 2HA GLY 4 1HA GLY 4 3.639 -5.600 0.734 94 H HIS 5 H HIS 5 1.980 -6.797 -0.098 95 HA HIS 5 HA HIS 5 2.295 -7.595 -2.912 96 1HB HIS 5 2HB HIS 5 0.886 -9.208 -0.774 97 2HB HIS 5 1HB HIS 5 0.839 -9.565 -2.495 98 HD1 HIS 5 HD1 HIS 5 3.307 -9.408 0.386 99 HD2 HIS 5 HD2 HIS 5 2.904 -11.105 -3.400 100 HE1 HIS 5 HE1 HIS 5 5.297 -10.923 0.099 101 HE2 HIS 5 HE2 HIS 5 5.095 -11.842 -2.238 102 H VAL 6 H VAL 6 -0.007 -6.880 -0.301 103 HA VAL 6 HA VAL 6 -2.097 -6.281 -2.230 104 HB VAL 6 HB VAL 6 -2.172 -5.877 0.765 105 1HG1 VAL 6 1HG1 VAL 6 -4.073 -4.838 0.160 106 2HG1 VAL 6 2HG1 VAL 6 -4.697 -6.480 0.001 107 3HG1 VAL 6 3HG1 VAL 6 -4.118 -5.614 -1.423 108 1HG2 VAL 6 1HG2 VAL 6 -3.599 -8.202 -0.174 109 2HG2 VAL 6 2HG2 VAL 6 -2.392 -8.065 1.104 110 3HG2 VAL 6 3HG2 VAL 6 -1.883 -8.309 -0.567 111 HA PRO 7 HA PRO 7 -0.793 -2.031 -2.534 112 1HB PRO 7 2HB PRO 7 -3.451 -1.552 -3.696 113 2HB PRO 7 1HB PRO 7 -1.856 -1.356 -4.425 114 1HG PRO 7 2HG PRO 7 -3.517 -3.339 -5.157 115 2HG PRO 7 1HG PRO 7 -1.757 -3.550 -5.124 116 1HD PRO 7 2HD PRO 7 -3.814 -4.452 -3.143 117 2HD PRO 7 1HD PRO 7 -2.377 -5.307 -3.745 118 H GLU 8 H GLU 8 -1.011 -0.251 -1.306 119 HA GLU 8 HA GLU 8 -2.978 -0.258 0.808 120 1HB GLU 8 2HB GLU 8 -0.694 1.609 0.155 121 2HB GLU 8 1HB GLU 8 -1.789 1.869 1.507 122 1HG GLU 8 2HG GLU 8 -1.143 -0.364 2.374 123 2HG GLU 8 1HG GLU 8 0.061 -0.461 1.092 124 H TYR 9 H TYR 9 -4.460 -0.142 -1.273 125 HA TYR 9 HA TYR 9 -5.739 2.419 -1.121 126 1HB TYR 9 2HB TYR 9 -4.054 2.894 -2.845 127 2HB TYR 9 1HB TYR 9 -4.627 1.534 -3.797 128 HD1 TYR 9 HD1 TYR 9 -6.128 4.524 -2.111 129 HD2 TYR 9 HD2 TYR 9 -5.914 2.120 -5.615 130 HE1 TYR 9 HE1 TYR 9 -7.753 6.000 -3.215 131 HE2 TYR 9 HE2 TYR 9 -7.537 3.593 -6.730 132 HH TYR 9 HH TYR 9 -9.546 5.432 -5.411 133 H PHE 10 HN PHE 10 -7.797 2.419 -2.141 134 HA PHE 10 HA PHE 10 -8.870 0.041 -3.322 135 1HB PHE 10 2HB PHE 10 -8.856 -0.505 -0.858 136 2HB PHE 10 1HB PHE 10 -9.925 0.869 -0.603 137 HD1 PHE 10 HD1 PHE 10 -9.864 -1.870 -3.141 138 HD2 PHE 10 HD2 PHE 10 -12.026 0.127 -0.066 139 HE1 PHE 10 HE1 PHE 10 -11.810 -3.310 -3.579 140 HE2 PHE 10 HE2 PHE 10 -13.975 -1.310 -0.499 141 HZ PHE 10 HZ PHE 10 -13.869 -3.031 -2.257 Start of MODEL 16 1 1H VAL 11 1HT VAL 11 2.903 10.336 4.120 2 2H VAL 11 2HT VAL 11 3.246 10.602 5.760 3 3H VAL 11 3HT VAL 11 2.036 11.501 4.991 4 HA VAL 11 HA VAL 11 1.893 8.566 5.224 5 HB VAL 11 HB VAL 11 0.622 10.584 7.092 6 1HG1 VAL 11 1HG1 VAL 11 -0.500 8.874 8.107 7 2HG1 VAL 11 2HG1 VAL 11 0.697 7.664 7.643 8 3HG1 VAL 11 3HG1 VAL 11 -0.461 8.261 6.454 9 1HG2 VAL 11 1HG2 VAL 11 3.126 10.208 7.353 10 2HG2 VAL 11 2HG2 VAL 11 2.716 8.564 7.843 11 3HG2 VAL 11 3HG2 VAL 11 2.126 9.936 8.780 12 H GLY 12 H GLY 12 0.150 7.790 4.143 13 1HA GLY 12 2HA GLY 12 -1.844 7.769 2.985 14 2HA GLY 12 1HA GLY 12 -2.204 9.347 3.677 15 H ILE 13 H ILE 13 -2.409 10.895 2.223 16 HA ILE 13 HA ILE 13 -1.635 10.598 -0.480 17 HB ILE 13 HB ILE 13 -2.214 13.017 -0.698 18 1HG1 ILE 13 2HG1 ILE 13 -2.843 12.792 2.257 19 2HG1 ILE 13 1HG1 ILE 13 -1.513 13.718 1.570 20 1HG2 ILE 13 1HG2 ILE 13 -4.640 12.688 0.027 21 2HG2 ILE 13 2HG2 ILE 13 -4.127 11.099 0.595 22 3HG2 ILE 13 3HG2 ILE 13 -3.967 11.520 -1.110 23 1HD1 ILE 13 1HD1 ILE 13 -2.858 15.465 1.436 24 2HD1 ILE 13 2HD1 ILE 13 -4.221 14.496 1.995 25 3HD1 ILE 13 3HD1 ILE 13 -3.851 14.587 0.273 26 H GLY 14 H GLY 14 0.117 11.328 -1.589 27 1HA GLY 14 2HA GLY 14 2.197 12.240 -1.986 28 2HA GLY 14 1HA GLY 14 1.987 13.200 -0.533 29 H THR 15 H THR 15 1.918 9.710 -0.802 30 HA THR 15 HA THR 15 4.566 9.393 0.301 31 HB THR 15 HB THR 15 2.143 8.545 1.916 32 HG1 THR 15 HG1 THR 15 3.490 10.832 1.881 33 1HG2 THR 15 1HG2 THR 15 3.510 6.928 2.665 34 2HG2 THR 15 2HG2 THR 15 4.357 8.224 3.510 35 3HG2 THR 15 3HG2 THR 15 4.934 7.672 1.938 36 HA PRO 16 HA PRO 16 3.956 5.841 -2.334 37 1HB PRO 16 2HB PRO 16 6.521 4.908 -1.240 38 2HB PRO 16 1HB PRO 16 6.097 5.321 -2.903 39 1HG PRO 16 2HG PRO 16 7.720 6.875 -1.426 40 2HG PRO 16 1HG PRO 16 6.595 7.555 -2.617 41 1HD PRO 16 2HD PRO 16 6.334 7.398 0.364 42 2HD PRO 16 1HD PRO 16 5.922 8.733 -0.734 43 H ILE 17 H ILE 17 2.479 4.442 -1.604 44 HA ILE 17 HA ILE 17 2.789 3.151 0.969 45 HB ILE 17 HB ILE 17 0.581 2.118 0.462 46 1HG1 ILE 17 2HG1 ILE 17 0.696 3.867 -2.010 47 2HG1 ILE 17 1HG1 ILE 17 0.781 2.109 -2.003 48 1HG2 ILE 17 1HG2 ILE 17 -0.088 4.895 -0.009 49 2HG2 ILE 17 2HG2 ILE 17 1.194 4.721 1.189 50 3HG2 ILE 17 3HG2 ILE 17 -0.349 3.898 1.421 51 1HD1 ILE 17 1HD1 ILE 17 -1.423 2.667 -2.597 52 2HD1 ILE 17 2HD1 ILE 17 -1.554 3.855 -1.300 53 3HD1 ILE 17 3HD1 ILE 17 -1.496 2.134 -0.917 54 H SER 18 H SER 18 3.229 1.027 1.311 55 HA SER 18 HA SER 18 4.470 -0.400 -0.857 56 1HB SER 18 2HB SER 18 4.694 -2.134 1.125 57 2HB SER 18 1HB SER 18 5.691 -0.681 1.077 58 HG SER 18 HG SER 18 4.867 -0.470 3.027 59 H PHE 19 H PHE 19 3.976 -3.012 -0.476 60 HA PHE 19 HA PHE 19 1.060 -3.374 -0.622 61 1HB PHE 19 2HB PHE 19 3.026 -4.431 -2.671 62 2HB PHE 19 1HB PHE 19 1.305 -4.781 -2.629 63 HD1 PHE 19 HD1 PHE 19 -0.232 -3.372 -3.679 64 HD2 PHE 19 HD2 PHE 19 3.772 -2.054 -3.100 65 HE1 PHE 19 HE1 PHE 19 -0.657 -1.444 -5.145 66 HE2 PHE 19 HE2 PHE 19 3.352 -0.120 -4.559 67 HZ PHE 19 HZ PHE 19 1.134 0.187 -5.585 68 H TYR 20 H TYR 20 0.672 -5.832 -0.996 69 HA TYR 20 HA TYR 20 2.540 -7.657 0.144 70 1HB TYR 20 2HB TYR 20 1.262 -8.300 2.125 71 2HB TYR 20 1HB TYR 20 1.793 -6.636 2.236 72 HD1 TYR 20 HD1 TYR 20 0.186 -4.823 2.235 73 HD2 TYR 20 HD2 TYR 20 -1.106 -8.852 1.844 74 HE1 TYR 20 HE1 TYR 20 -2.115 -4.124 2.738 75 HE2 TYR 20 HE2 TYR 20 -3.415 -8.165 2.335 76 HH TYR 20 HH TYR 20 -4.321 -4.800 2.570 77 H GLY 21 HN GLY 21 1.652 -9.820 0.271 78 1HA GLY 21 2HA GLY 21 0.564 -11.587 -0.712 79 2HA GLY 21 1HA GLY 21 -0.878 -10.588 -0.613 80 2H GLY 1 H GLY 1 3.362 -3.934 2.191 81 1HA GLY 1 2HA GLY 1 4.905 -3.170 4.549 82 2HA GLY 1 1HA GLY 1 4.738 -4.892 4.242 83 H GLY 2 H GLY 2 4.865 -4.798 1.412 84 1HA GLY 2 2HA GLY 2 7.222 -3.423 0.555 85 2HA GLY 2 1HA GLY 2 7.551 -5.104 0.931 86 H ALA 3 H ALA 3 7.683 -6.176 -0.875 87 HA ALA 3 HA ALA 3 6.249 -5.439 -3.246 88 1HB ALA 3 1HB ALA 3 8.078 -6.456 -4.045 89 2HB ALA 3 2HB ALA 3 7.228 -7.966 -3.717 90 3HB ALA 3 3HB ALA 3 8.364 -7.319 -2.533 91 H GLY 4 H GLY 4 4.355 -6.255 -3.995 92 1HA GLY 4 2HA GLY 4 3.286 -8.771 -3.392 93 2HA GLY 4 1HA GLY 4 2.612 -7.612 -2.255 94 H HIS 5 H HIS 5 0.517 -7.631 -3.013 95 HA HIS 5 HA HIS 5 0.170 -6.425 -5.675 96 1HB HIS 5 2HB HIS 5 -1.561 -8.642 -4.557 97 2HB HIS 5 1HB HIS 5 -1.785 -7.832 -6.103 98 HD1 HIS 5 HD1 HIS 5 0.968 -7.958 -7.319 99 HD2 HIS 5 HD2 HIS 5 -0.692 -11.115 -5.194 100 HE1 HIS 5 HE1 HIS 5 2.166 -10.014 -8.126 101 HE2 HIS 5 HE2 HIS 5 1.318 -11.857 -6.633 102 H VAL 6 H VAL 6 -1.321 -7.104 -2.525 103 HA VAL 6 HA VAL 6 -3.293 -5.011 -2.923 104 HB VAL 6 HB VAL 6 -2.736 -6.568 -0.393 105 1HG1 VAL 6 1HG1 VAL 6 -4.559 -5.607 0.498 106 2HG1 VAL 6 2HG1 VAL 6 -5.458 -5.672 -1.018 107 3HG1 VAL 6 3HG1 VAL 6 -4.300 -4.372 -0.734 108 1HG2 VAL 6 1HG2 VAL 6 -5.060 -7.416 -1.908 109 2HG2 VAL 6 2HG2 VAL 6 -3.757 -8.376 -1.206 110 3HG2 VAL 6 3HG2 VAL 6 -3.559 -7.654 -2.803 111 HA PRO 7 HA PRO 7 -0.523 -1.900 -1.334 112 1HB PRO 7 2HB PRO 7 -2.933 -0.237 -1.087 113 2HB PRO 7 1HB PRO 7 -1.499 0.007 -2.087 114 1HG PRO 7 2HG PRO 7 -3.874 -0.676 -3.149 115 2HG PRO 7 1HG PRO 7 -2.339 -1.245 -3.831 116 1HD PRO 7 2HD PRO 7 -4.287 -2.693 -2.077 117 2HD PRO 7 1HD PRO 7 -3.382 -3.286 -3.486 118 H GLU 8 H GLU 8 0.117 -1.261 0.633 119 HA GLU 8 HA GLU 8 -1.400 -2.109 2.943 120 1HB GLU 8 2HB GLU 8 1.329 -0.845 2.649 121 2HB GLU 8 1HB GLU 8 0.611 -1.238 4.205 122 1HG GLU 8 2HG GLU 8 0.446 -3.599 3.458 123 2HG GLU 8 1HG GLU 8 1.337 -3.151 2.006 124 H TYR 9 H TYR 9 -2.999 -0.416 1.958 125 HA TYR 9 HA TYR 9 -3.008 1.799 3.799 126 1HB TYR 9 2HB TYR 9 -1.651 2.679 1.922 127 2HB TYR 9 1HB TYR 9 -2.989 2.378 0.825 128 HD1 TYR 9 HD1 TYR 9 -2.576 4.020 4.168 129 HD2 TYR 9 HD2 TYR 9 -4.083 4.304 0.199 130 HE1 TYR 9 HE1 TYR 9 -3.468 6.253 4.674 131 HE2 TYR 9 HE2 TYR 9 -4.979 6.540 0.694 132 HH TYR 9 HH TYR 9 -5.679 7.689 3.331 133 H PHE 10 HN PHE 10 -5.016 2.993 3.706 134 HA PHE 10 HA PHE 10 -7.227 1.996 2.177 135 1HB PHE 10 2HB PHE 10 -7.014 0.291 4.008 136 2HB PHE 10 1HB PHE 10 -7.232 1.581 5.183 137 HD1 PHE 10 HD1 PHE 10 -9.277 1.396 6.193 138 HD2 PHE 10 HD2 PHE 10 -8.985 0.693 2.005 139 HE1 PHE 10 HE1 PHE 10 -11.715 1.086 6.078 140 HE2 PHE 10 HE2 PHE 10 -11.423 0.384 1.883 141 HZ PHE 10 HZ PHE 10 -12.791 0.581 3.922 Start of MODEL 17 1 1H VAL 11 1HT VAL 11 2.851 3.579 0.143 2 2H VAL 11 2HT VAL 11 4.466 3.423 0.633 3 3H VAL 11 3HT VAL 11 4.091 4.277 -0.777 4 HA VAL 11 HA VAL 11 2.622 5.616 0.985 5 HB VAL 11 HB VAL 11 4.101 6.100 2.917 6 1HG1 VAL 11 1HG1 VAL 11 2.328 4.705 3.470 7 2HG1 VAL 11 2HG1 VAL 11 3.736 3.819 4.059 8 3HG1 VAL 11 3HG1 VAL 11 2.973 3.353 2.538 9 1HG2 VAL 11 1HG2 VAL 11 5.625 3.624 2.118 10 2HG2 VAL 11 2HG2 VAL 11 5.953 4.696 3.479 11 3HG2 VAL 11 3HG2 VAL 11 6.195 5.268 1.828 12 H GLY 12 H GLY 12 3.852 7.764 1.649 13 1HA GLY 12 2HA GLY 12 6.201 8.585 0.470 14 2HA GLY 12 1HA GLY 12 4.969 8.781 -0.770 15 H ILE 13 H ILE 13 5.612 11.076 -0.553 16 HA ILE 13 HA ILE 13 4.825 12.461 1.845 17 HB ILE 13 HB ILE 13 6.751 13.247 0.591 18 1HG1 ILE 13 2HG1 ILE 13 4.490 15.256 0.466 19 2HG1 ILE 13 1HG1 ILE 13 5.439 14.878 1.900 20 1HG2 ILE 13 1HG2 ILE 13 6.651 12.993 -1.624 21 2HG2 ILE 13 2HG2 ILE 13 5.908 14.592 -1.616 22 3HG2 ILE 13 3HG2 ILE 13 4.894 13.150 -1.666 23 1HD1 ILE 13 1HD1 ILE 13 6.037 16.977 0.588 24 2HD1 ILE 13 2HD1 ILE 13 6.726 15.882 -0.611 25 3HD1 ILE 13 3HD1 ILE 13 7.353 15.893 1.037 26 H GLY 14 H GLY 14 2.634 11.291 1.428 27 1HA GLY 14 2HA GLY 14 0.640 13.155 1.133 28 2HA GLY 14 1HA GLY 14 0.847 12.445 -0.466 29 H THR 15 H THR 15 -0.351 10.750 -0.880 30 HA THR 15 HA THR 15 -0.882 8.766 1.170 31 HB THR 15 HB THR 15 -3.236 9.902 -0.344 32 HG1 THR 15 HG1 THR 15 -1.970 10.835 1.970 33 1HG2 THR 15 1HG2 THR 15 -3.225 8.450 2.292 34 2HG2 THR 15 2HG2 THR 15 -3.256 7.583 0.756 35 3HG2 THR 15 3HG2 THR 15 -4.566 8.687 1.172 36 HA PRO 16 HA PRO 16 -0.481 7.214 -3.253 37 1HB PRO 16 2HB PRO 16 2.142 6.164 -2.686 38 2HB PRO 16 1HB PRO 16 1.692 7.411 -3.850 39 1HG PRO 16 2HG PRO 16 3.186 7.885 -1.603 40 2HG PRO 16 1HG PRO 16 2.191 9.111 -2.409 41 1HD PRO 16 2HD PRO 16 1.579 7.472 0.025 42 2HD PRO 16 1HD PRO 16 1.258 9.193 -0.285 43 H ILE 17 H ILE 17 -1.404 5.302 -3.545 44 HA ILE 17 HA ILE 17 -1.738 3.398 -1.511 45 HB ILE 17 HB ILE 17 -2.622 1.908 -3.297 46 1HG1 ILE 17 2HG1 ILE 17 -1.934 4.215 -5.136 47 2HG1 ILE 17 1HG1 ILE 17 -1.098 2.666 -5.104 48 1HG2 ILE 17 1HG2 ILE 17 -3.580 4.540 -2.558 49 2HG2 ILE 17 2HG2 ILE 17 -4.456 3.015 -2.692 50 3HG2 ILE 17 3HG2 ILE 17 -4.211 4.020 -4.120 51 1HD1 ILE 17 1HD1 ILE 17 -3.708 3.391 -6.256 52 2HD1 ILE 17 2HD1 ILE 17 -3.605 1.809 -5.483 53 3HD1 ILE 17 3HD1 ILE 17 -2.507 2.220 -6.800 54 H SER 18 H SER 18 -0.849 1.361 -1.195 55 HA SER 18 HA SER 18 1.263 0.375 -2.858 56 1HB SER 18 2HB SER 18 2.793 0.397 -0.660 57 2HB SER 18 1HB SER 18 2.815 1.711 -1.837 58 HG SER 18 HG SER 18 0.886 2.362 -0.276 59 H PHE 19 H PHE 19 2.463 -1.467 -1.307 60 HA PHE 19 HA PHE 19 0.309 -2.950 0.055 61 1HB PHE 19 2HB PHE 19 2.230 -4.128 -1.969 62 2HB PHE 19 1HB PHE 19 1.017 -5.015 -1.061 63 HD1 PHE 19 HD1 PHE 19 -1.103 -5.327 -1.939 64 HD2 PHE 19 HD2 PHE 19 1.403 -2.308 -3.585 65 HE1 PHE 19 HE1 PHE 19 -2.712 -4.993 -3.769 66 HE2 PHE 19 HE2 PHE 19 -0.206 -1.963 -5.412 67 HZ PHE 19 HZ PHE 19 -2.267 -3.306 -5.506 68 H TYR 20 H TYR 20 1.432 -5.095 0.871 69 HA TYR 20 HA TYR 20 4.129 -4.854 1.777 70 1HB TYR 20 2HB TYR 20 3.691 -4.795 4.182 71 2HB TYR 20 1HB TYR 20 3.106 -3.340 3.404 72 HD1 TYR 20 HD1 TYR 20 2.121 -6.458 5.081 73 HD2 TYR 20 HD2 TYR 20 0.746 -2.826 3.357 74 HE1 TYR 20 HE1 TYR 20 -0.079 -6.802 6.124 75 HE2 TYR 20 HE2 TYR 20 -1.455 -3.155 4.396 76 HH TYR 20 HH TYR 20 -2.809 -4.773 5.360 77 H GLY 21 HN GLY 21 4.719 -6.687 3.173 78 1HA GLY 21 2HA GLY 21 4.812 -8.952 3.540 79 2HA GLY 21 1HA GLY 21 3.058 -8.898 3.631 80 2H GLY 1 H GLY 1 2.820 -0.968 1.738 81 1HA GLY 1 2HA GLY 1 3.793 1.652 2.662 82 2HA GLY 1 1HA GLY 1 4.700 0.205 3.070 83 H GLY 2 H GLY 2 4.423 -1.189 0.646 84 1HA GLY 2 2HA GLY 2 5.219 0.425 -1.578 85 2HA GLY 2 1HA GLY 2 6.595 -0.342 -0.806 86 H ALA 3 H ALA 3 7.167 -2.023 -1.941 87 HA ALA 3 HA ALA 3 5.335 -3.524 -3.554 88 1HB ALA 3 1HB ALA 3 7.477 -5.085 -3.612 89 2HB ALA 3 2HB ALA 3 8.252 -3.632 -2.979 90 3HB ALA 3 3HB ALA 3 7.406 -3.578 -4.525 91 H GLY 4 H GLY 4 4.261 -5.368 -3.025 92 1HA GLY 4 2HA GLY 4 5.081 -7.227 -1.083 93 2HA GLY 4 1HA GLY 4 3.940 -6.112 -0.344 94 H HIS 5 H HIS 5 2.235 -7.497 -0.069 95 HA HIS 5 HA HIS 5 0.973 -8.431 -2.558 96 1HB HIS 5 2HB HIS 5 1.196 -10.036 -0.001 97 2HB HIS 5 1HB HIS 5 0.236 -10.496 -1.401 98 HD1 HIS 5 HD1 HIS 5 3.858 -9.934 -0.409 99 HD2 HIS 5 HD2 HIS 5 1.596 -11.911 -3.297 100 HE1 HIS 5 HE1 HIS 5 5.499 -11.284 -1.758 101 HE2 HIS 5 HE2 HIS 5 4.127 -12.372 -3.568 102 H VAL 6 H VAL 6 0.513 -7.760 0.902 103 HA VAL 6 HA VAL 6 -2.355 -7.482 0.532 104 HB VAL 6 HB VAL 6 -0.747 -6.860 3.014 105 1HG1 VAL 6 1HG1 VAL 6 -3.599 -6.908 2.342 106 2HG1 VAL 6 2HG1 VAL 6 -2.749 -6.070 3.641 107 3HG1 VAL 6 3HG1 VAL 6 -3.180 -7.771 3.824 108 1HG2 VAL 6 1HG2 VAL 6 -1.418 -9.427 1.795 109 2HG2 VAL 6 2HG2 VAL 6 -1.945 -9.281 3.472 110 3HG2 VAL 6 3HG2 VAL 6 -0.248 -9.041 3.057 111 HA PRO 7 HA PRO 7 -1.951 -3.183 -0.548 112 1HB PRO 7 2HB PRO 7 -4.832 -3.042 0.046 113 2HB PRO 7 1HB PRO 7 -3.981 -2.735 -1.470 114 1HG PRO 7 2HG PRO 7 -5.500 -4.922 -1.121 115 2HG PRO 7 1HG PRO 7 -4.018 -4.956 -2.095 116 1HD PRO 7 2HD PRO 7 -4.469 -5.913 0.706 117 2HD PRO 7 1HD PRO 7 -3.527 -6.660 -0.603 118 H GLU 8 H GLU 8 -1.608 -1.351 0.545 119 HA GLU 8 HA GLU 8 -2.002 -1.332 3.406 120 1HB GLU 8 2HB GLU 8 -0.669 0.588 1.495 121 2HB GLU 8 1HB GLU 8 -0.857 0.940 3.208 122 1HG GLU 8 2HG GLU 8 0.379 -1.146 3.713 123 2HG GLU 8 1HG GLU 8 0.669 -1.343 1.987 124 H TYR 9 H TYR 9 -4.408 -1.469 2.581 125 HA TYR 9 HA TYR 9 -5.604 1.025 3.343 126 1HB TYR 9 2HB TYR 9 -5.278 1.429 0.944 127 2HB TYR 9 1HB TYR 9 -6.154 -0.045 0.562 128 HD1 TYR 9 HD1 TYR 9 -8.302 0.296 -0.199 129 HD2 TYR 9 HD2 TYR 9 -6.704 3.005 2.668 130 HE1 TYR 9 HE1 TYR 9 -10.405 1.571 -0.238 131 HE2 TYR 9 HE2 TYR 9 -8.803 4.284 2.638 132 HH TYR 9 HH TYR 9 -11.464 3.418 1.912 133 H PHE 10 HN PHE 10 -7.871 0.825 3.702 134 HA PHE 10 HA PHE 10 -9.187 -1.709 3.482 135 1HB PHE 10 2HB PHE 10 -7.721 -2.017 5.506 136 2HB PHE 10 1HB PHE 10 -8.560 -0.667 6.260 137 HD1 PHE 10 HD1 PHE 10 -9.740 -3.629 4.317 138 HD2 PHE 10 HD2 PHE 10 -9.894 -1.433 7.959 139 HE1 PHE 10 HE1 PHE 10 -11.450 -5.176 5.173 140 HE2 PHE 10 HE2 PHE 10 -11.604 -2.977 8.822 141 HZ PHE 10 HZ PHE 10 -12.385 -4.851 7.428 Start of MODEL 18 1 1H VAL 11 1HT VAL 11 3.998 11.450 -2.093 2 2H VAL 11 2HT VAL 11 2.475 10.916 -1.585 3 3H VAL 11 3HT VAL 11 3.161 12.298 -0.891 4 HA VAL 11 HA VAL 11 2.325 13.605 -2.442 5 HB VAL 11 HB VAL 11 3.234 11.610 -4.534 6 1HG1 VAL 11 1HG1 VAL 11 1.567 13.671 -4.934 7 2HG1 VAL 11 2HG1 VAL 11 2.739 13.130 -6.136 8 3HG1 VAL 11 3HG1 VAL 11 3.111 14.507 -5.099 9 1HG2 VAL 11 1HG2 VAL 11 5.272 12.864 -4.731 10 2HG2 VAL 11 2HG2 VAL 11 5.074 12.377 -3.047 11 3HG2 VAL 11 3HG2 VAL 11 4.719 14.035 -3.533 12 H GLY 12 H GLY 12 0.237 13.886 -3.135 13 1HA GLY 12 2HA GLY 12 -1.904 13.327 -3.826 14 2HA GLY 12 1HA GLY 12 -1.324 11.705 -4.191 15 H ILE 13 H ILE 13 -1.104 10.198 -2.459 16 HA ILE 13 HA ILE 13 -3.132 10.567 -0.423 17 HB ILE 13 HB ILE 13 -2.723 8.241 0.214 18 1HG1 ILE 13 2HG1 ILE 13 -0.240 8.299 -0.408 19 2HG1 ILE 13 1HG1 ILE 13 -1.118 6.822 -0.776 20 1HG2 ILE 13 1HG2 ILE 13 -2.962 7.538 -2.497 21 2HG2 ILE 13 2HG2 ILE 13 -3.676 9.140 -2.319 22 3HG2 ILE 13 3HG2 ILE 13 -4.249 7.804 -1.320 23 1HD1 ILE 13 1HD1 ILE 13 0.311 7.305 -2.607 24 2HD1 ILE 13 2HD1 ILE 13 -0.260 8.971 -2.694 25 3HD1 ILE 13 3HD1 ILE 13 -1.340 7.645 -3.125 26 H GLY 14 H GLY 14 -2.747 10.735 1.756 27 1HA GLY 14 2HA GLY 14 -0.205 11.811 2.504 28 2HA GLY 14 1HA GLY 14 -1.577 11.564 3.568 29 H THR 15 H THR 15 -1.974 8.904 3.356 30 HA THR 15 HA THR 15 0.167 7.868 4.959 31 HB THR 15 HB THR 15 -1.465 5.756 4.676 32 HG1 THR 15 HG1 THR 15 -3.554 6.406 4.288 33 1HG2 THR 15 1HG2 THR 15 -1.004 6.698 6.814 34 2HG2 THR 15 2HG2 THR 15 -2.758 6.702 6.632 35 3HG2 THR 15 3HG2 THR 15 -1.845 8.194 6.409 36 HA PRO 16 HA PRO 16 2.386 5.938 1.656 37 1HB PRO 16 2HB PRO 16 3.783 4.111 3.121 38 2HB PRO 16 1HB PRO 16 4.191 5.828 3.058 39 1HG PRO 16 2HG PRO 16 2.683 4.313 5.149 40 2HG PRO 16 1HG PRO 16 3.907 5.581 5.347 41 1HD PRO 16 2HD PRO 16 1.254 6.064 5.585 42 2HD PRO 16 1HD PRO 16 2.394 7.275 4.967 43 H ILE 17 H ILE 17 0.906 4.862 0.423 44 HA ILE 17 HA ILE 17 -0.419 2.484 1.282 45 HB ILE 17 HB ILE 17 -1.522 3.842 -0.338 46 1HG1 ILE 17 2HG1 ILE 17 -0.588 1.315 -1.706 47 2HG1 ILE 17 1HG1 ILE 17 -1.877 1.405 -0.511 48 1HG2 ILE 17 1HG2 ILE 17 0.442 3.294 -2.498 49 2HG2 ILE 17 2HG2 ILE 17 0.811 4.558 -1.324 50 3HG2 ILE 17 3HG2 ILE 17 -0.661 4.655 -2.291 51 1HD1 ILE 17 1HD1 ILE 17 -1.879 2.721 -3.217 52 2HD1 ILE 17 2HD1 ILE 17 -3.170 2.826 -2.020 53 3HD1 ILE 17 3HD1 ILE 17 -2.774 1.273 -2.757 54 H SER 18 H SER 18 -0.073 0.386 0.624 55 HA SER 18 HA SER 18 2.248 -0.290 -0.959 56 1HB SER 18 2HB SER 18 2.969 -1.873 1.014 57 2HB SER 18 1HB SER 18 3.488 -0.189 0.994 58 HG SER 18 HG SER 18 1.955 0.309 2.498 59 H PHE 19 H PHE 19 2.476 -2.958 -0.445 60 HA PHE 19 HA PHE 19 -0.241 -4.067 -0.677 61 1HB PHE 19 2HB PHE 19 2.024 -4.677 -2.595 62 2HB PHE 19 1HB PHE 19 0.437 -5.431 -2.606 63 HD1 PHE 19 HD1 PHE 19 -1.322 -4.490 -3.810 64 HD2 PHE 19 HD2 PHE 19 2.185 -2.192 -3.086 65 HE1 PHE 19 HE1 PHE 19 -2.120 -2.781 -5.388 66 HE2 PHE 19 HE2 PHE 19 1.389 -0.474 -4.656 67 HZ PHE 19 HZ PHE 19 -0.766 -0.768 -5.811 68 H TYR 20 H TYR 20 -0.098 -6.521 -0.786 69 HA TYR 20 HA TYR 20 2.173 -7.742 0.499 70 1HB TYR 20 2HB TYR 20 0.991 -8.630 2.423 71 2HB TYR 20 1HB TYR 20 0.950 -6.880 2.455 72 HD1 TYR 20 HD1 TYR 20 -1.053 -9.924 1.916 73 HD2 TYR 20 HD2 TYR 20 -1.134 -5.692 2.306 74 HE1 TYR 20 HE1 TYR 20 -3.497 -10.000 2.173 75 HE2 TYR 20 HE2 TYR 20 -3.576 -5.755 2.566 76 HH TYR 20 HH TYR 20 -5.401 -7.023 2.496 77 H GLY 21 HN GLY 21 1.839 -10.084 0.751 78 1HA GLY 21 2HA GLY 21 1.327 -12.124 -0.174 79 2HA GLY 21 1HA GLY 21 -0.299 -11.491 -0.386 80 2H GLY 1 H GLY 1 1.790 -2.178 3.074 81 1HA GLY 1 2HA GLY 1 2.925 -2.848 5.202 82 2HA GLY 1 1HA GLY 1 2.750 -4.502 4.631 83 H GLY 2 H GLY 2 3.365 -4.041 1.908 84 1HA GLY 2 2HA GLY 2 5.813 -2.670 1.540 85 2HA GLY 2 1HA GLY 2 6.135 -4.352 1.916 86 H ALA 3 H ALA 3 6.619 -5.343 0.132 87 HA ALA 3 HA ALA 3 5.290 -4.661 -2.374 88 1HB ALA 3 1HB ALA 3 7.030 -6.701 -2.960 89 2HB ALA 3 2HB ALA 3 7.842 -5.878 -1.628 90 3HB ALA 3 3HB ALA 3 7.397 -4.980 -3.080 91 H GLY 4 H GLY 4 3.786 -5.960 -3.328 92 1HA GLY 4 2HA GLY 4 3.549 -8.734 -2.881 93 2HA GLY 4 1HA GLY 4 2.425 -7.884 -1.831 94 H HIS 5 H HIS 5 0.515 -8.437 -2.764 95 HA HIS 5 HA HIS 5 0.110 -7.467 -5.515 96 1HB HIS 5 2HB HIS 5 -0.995 -10.031 -4.350 97 2HB HIS 5 1HB HIS 5 -1.443 -9.362 -5.913 98 HD1 HIS 5 HD1 HIS 5 1.598 -10.765 -4.113 99 HD2 HIS 5 HD2 HIS 5 0.165 -10.125 -7.975 100 HE1 HIS 5 HE1 HIS 5 3.278 -11.834 -5.653 101 HE2 HIS 5 HE2 HIS 5 2.331 -11.540 -7.969 102 H VAL 6 H VAL 6 -1.449 -8.357 -2.449 103 HA VAL 6 HA VAL 6 -3.854 -6.896 -3.156 104 HB VAL 6 HB VAL 6 -3.143 -8.108 -0.479 105 1HG1 VAL 6 1HG1 VAL 6 -5.929 -7.907 -1.461 106 2HG1 VAL 6 2HG1 VAL 6 -5.138 -6.408 -0.974 107 3HG1 VAL 6 3HG1 VAL 6 -5.286 -7.740 0.172 108 1HG2 VAL 6 1HG2 VAL 6 -3.653 -9.428 -2.954 109 2HG2 VAL 6 2HG2 VAL 6 -5.007 -9.720 -1.863 110 3HG2 VAL 6 3HG2 VAL 6 -3.367 -10.131 -1.362 111 HA PRO 7 HA PRO 7 -2.185 -3.069 -1.611 112 1HB PRO 7 2HB PRO 7 -4.966 -2.119 -1.662 113 2HB PRO 7 1HB PRO 7 -3.567 -1.544 -2.572 114 1HG PRO 7 2HG PRO 7 -5.566 -2.907 -3.748 115 2HG PRO 7 1HG PRO 7 -3.880 -3.064 -4.275 116 1HD PRO 7 2HD PRO 7 -5.513 -4.904 -2.568 117 2HD PRO 7 1HD PRO 7 -4.354 -5.294 -3.857 118 H GLU 8 H GLU 8 -1.741 -2.531 0.400 119 HA GLU 8 HA GLU 8 -3.751 -3.029 2.495 120 1HB GLU 8 2HB GLU 8 -1.607 -2.909 4.005 121 2HB GLU 8 1HB GLU 8 -2.015 -4.396 3.163 122 1HG GLU 8 2HG GLU 8 -0.384 -3.994 1.491 123 2HG GLU 8 1HG GLU 8 -0.099 -2.359 2.071 124 H TYR 9 H TYR 9 -4.376 -0.842 1.455 125 HA TYR 9 HA TYR 9 -2.816 1.413 2.320 126 1HB TYR 9 2HB TYR 9 -4.172 1.457 0.239 127 2HB TYR 9 1HB TYR 9 -5.633 1.400 1.212 128 HD1 TYR 9 HD1 TYR 9 -6.705 3.448 1.308 129 HD2 TYR 9 HD2 TYR 9 -2.451 3.365 1.288 130 HE1 TYR 9 HE1 TYR 9 -6.659 5.902 1.488 131 HE2 TYR 9 HE2 TYR 9 -2.394 5.813 1.467 132 HH TYR 9 HH TYR 9 -4.134 7.608 2.469 133 H PHE 10 HN PHE 10 -3.620 3.058 3.700 134 HA PHE 10 HA PHE 10 -5.773 2.553 5.516 135 1HB PHE 10 2HB PHE 10 -4.188 2.697 7.542 136 2HB PHE 10 1HB PHE 10 -4.293 1.154 6.706 137 HD1 PHE 10 HD1 PHE 10 -2.314 0.047 6.487 138 HD2 PHE 10 HD2 PHE 10 -2.281 4.301 6.370 139 HE1 PHE 10 HE1 PHE 10 0.130 0.018 6.212 140 HE2 PHE 10 HE2 PHE 10 0.162 4.278 6.091 141 HZ PHE 10 HZ PHE 10 1.371 2.135 6.011 Start of MODEL 19 1 1H VAL 11 1HT VAL 11 6.253 13.271 -6.466 2 2H VAL 11 2HT VAL 11 7.228 13.415 -5.090 3 3H VAL 11 3HT VAL 11 7.041 14.732 -6.135 4 HA VAL 11 HA VAL 11 5.598 14.229 -3.879 5 HB VAL 11 HB VAL 11 4.165 16.108 -4.638 6 1HG1 VAL 11 1HG1 VAL 11 6.161 17.696 -5.147 7 2HG1 VAL 11 2HG1 VAL 11 7.142 16.261 -4.847 8 3HG1 VAL 11 3HG1 VAL 11 6.072 16.877 -3.588 9 1HG2 VAL 11 1HG2 VAL 11 5.674 15.778 -7.229 10 2HG2 VAL 11 2HG2 VAL 11 4.699 17.188 -6.815 11 3HG2 VAL 11 3HG2 VAL 11 3.937 15.606 -6.978 12 H GLY 12 H GLY 12 3.348 13.839 -3.499 13 1HA GLY 12 2HA GLY 12 1.464 13.083 -5.391 14 2HA GLY 12 1HA GLY 12 2.337 11.623 -4.941 15 H ILE 13 H ILE 13 0.581 10.669 -3.918 16 HA ILE 13 HA ILE 13 -0.858 12.038 -1.851 17 HB ILE 13 HB ILE 13 -1.821 9.741 -1.390 18 1HG1 ILE 13 2HG1 ILE 13 -0.256 9.039 -3.888 19 2HG1 ILE 13 1HG1 ILE 13 0.075 8.426 -2.271 20 1HG2 ILE 13 1HG2 ILE 13 -3.036 9.700 -3.640 21 2HG2 ILE 13 2HG2 ILE 13 -2.028 11.084 -4.064 22 3HG2 ILE 13 3HG2 ILE 13 -3.126 11.182 -2.687 23 1HD1 ILE 13 1HD1 ILE 13 -1.175 6.888 -3.823 24 2HD1 ILE 13 2HD1 ILE 13 -2.547 7.986 -3.664 25 3HD1 ILE 13 3HD1 ILE 13 -1.910 7.159 -2.242 26 H GLY 14 H GLY 14 -0.360 12.180 0.235 27 1HA GLY 14 2HA GLY 14 2.066 10.913 1.201 28 2HA GLY 14 1HA GLY 14 1.105 12.114 2.044 29 H THR 15 H THR 15 0.005 9.090 0.672 30 HA THR 15 HA THR 15 -1.201 8.357 3.197 31 HB THR 15 HB THR 15 -1.985 6.347 1.806 32 HG1 THR 15 HG1 THR 15 -0.274 6.835 0.166 33 1HG2 THR 15 1HG2 THR 15 -2.877 9.053 1.917 34 2HG2 THR 15 2HG2 THR 15 -3.835 7.587 1.707 35 3HG2 THR 15 3HG2 THR 15 -3.191 8.428 0.297 36 HA PRO 16 HA PRO 16 2.274 5.778 4.309 37 1HB PRO 16 2HB PRO 16 1.229 4.732 6.565 38 2HB PRO 16 1HB PRO 16 1.783 6.408 6.472 39 1HG PRO 16 2HG PRO 16 -0.999 5.319 6.290 40 2HG PRO 16 1HG PRO 16 -0.410 6.745 7.164 41 1HD PRO 16 2HD PRO 16 -1.648 6.879 4.737 42 2HD PRO 16 1HD PRO 16 -0.445 8.063 5.285 43 H ILE 17 H ILE 17 0.966 4.696 2.216 44 HA ILE 17 HA ILE 17 -0.335 2.227 2.777 45 HB ILE 17 HB ILE 17 1.041 3.015 0.210 46 1HG1 ILE 17 2HG1 ILE 17 -0.553 4.752 0.831 47 2HG1 ILE 17 1HG1 ILE 17 -1.179 3.821 -0.525 48 1HG2 ILE 17 1HG2 ILE 17 0.115 1.223 -0.775 49 2HG2 ILE 17 2HG2 ILE 17 -1.387 1.372 0.137 50 3HG2 ILE 17 3HG2 ILE 17 0.017 0.595 0.870 51 1HD1 ILE 17 1HD1 ILE 17 -2.503 2.497 1.173 52 2HD1 ILE 17 2HD1 ILE 17 -2.993 4.172 0.923 53 3HD1 ILE 17 3HD1 ILE 17 -2.046 3.732 2.345 54 H SER 18 H SER 18 0.447 0.152 2.614 55 HA SER 18 HA SER 18 3.299 -0.288 2.280 56 1HB SER 18 2HB SER 18 3.083 -1.772 4.452 57 2HB SER 18 1HB SER 18 3.427 -0.046 4.576 58 HG SER 18 HG SER 18 1.425 0.333 5.262 59 H PHE 19 H PHE 19 3.312 -2.970 3.159 60 HA PHE 19 HA PHE 19 1.281 -4.228 1.428 61 1HB PHE 19 2HB PHE 19 4.225 -4.932 1.441 62 2HB PHE 19 1HB PHE 19 2.978 -5.698 0.469 63 HD1 PHE 19 HD1 PHE 19 4.750 -2.480 1.010 64 HD2 PHE 19 HD2 PHE 19 2.442 -4.876 -1.643 65 HE1 PHE 19 HE1 PHE 19 5.191 -0.884 -0.808 66 HE2 PHE 19 HE2 PHE 19 2.878 -3.283 -3.465 67 HZ PHE 19 HZ PHE 19 4.255 -1.284 -3.050 68 H TYR 20 H TYR 20 1.581 -6.704 1.609 69 HA TYR 20 HA TYR 20 2.415 -7.721 4.153 70 1HB TYR 20 2HB TYR 20 0.193 -8.632 4.802 71 2HB TYR 20 1HB TYR 20 0.285 -6.887 4.909 72 HD1 TYR 20 HD1 TYR 20 -1.576 -5.738 4.204 73 HD2 TYR 20 HD2 TYR 20 -0.702 -9.471 2.368 74 HE1 TYR 20 HE1 TYR 20 -3.627 -5.552 2.865 75 HE2 TYR 20 HE2 TYR 20 -2.748 -9.292 1.019 76 HH TYR 20 HH TYR 20 -4.415 -6.508 0.570 77 H GLY 21 HN GLY 21 2.045 -10.066 4.284 78 1HA GLY 21 2HA GLY 21 2.282 -12.166 3.384 79 2HA GLY 21 1HA GLY 21 1.149 -11.638 2.149 80 2H GLY 1 H GLY 1 0.920 -2.363 5.196 81 1HA GLY 1 2HA GLY 1 0.156 -2.280 7.722 82 2HA GLY 1 1HA GLY 1 0.329 -4.020 7.524 83 H GLY 2 H GLY 2 2.540 -3.842 5.676 84 1HA GLY 2 2HA GLY 2 4.699 -2.365 6.746 85 2HA GLY 2 1HA GLY 2 4.684 -3.971 7.452 86 H ALA 3 H ALA 3 6.239 -5.046 6.505 87 HA ALA 3 HA ALA 3 6.816 -4.722 3.682 88 1HB ALA 3 1HB ALA 3 8.754 -6.005 4.056 89 2HB ALA 3 2HB ALA 3 8.099 -6.719 5.529 90 3HB ALA 3 3HB ALA 3 8.575 -5.021 5.508 91 H GLY 4 H GLY 4 6.239 -6.138 2.096 92 1HA GLY 4 2HA GLY 4 5.586 -8.843 2.496 93 2HA GLY 4 1HA GLY 4 4.103 -7.900 2.499 94 H HIS 5 H HIS 5 3.247 -8.624 0.593 95 HA HIS 5 HA HIS 5 4.748 -7.850 -1.819 96 1HB HIS 5 2HB HIS 5 3.118 -10.374 -1.463 97 2HB HIS 5 1HB HIS 5 3.776 -9.817 -2.996 98 HD1 HIS 5 HD1 HIS 5 4.970 -10.969 0.428 99 HD2 HIS 5 HD2 HIS 5 6.316 -10.658 -3.505 100 HE1 HIS 5 HE1 HIS 5 7.239 -12.056 0.393 101 HE2 HIS 5 HE2 HIS 5 7.983 -11.957 -2.012 102 H VAL 6 H VAL 6 1.548 -8.591 -0.460 103 HA VAL 6 HA VAL 6 0.261 -7.154 -2.646 104 HB VAL 6 HB VAL 6 -1.034 -8.424 -0.227 105 1HG1 VAL 6 1HG1 VAL 6 -2.886 -7.471 -0.999 106 2HG1 VAL 6 2HG1 VAL 6 -2.744 -8.476 -2.441 107 3HG1 VAL 6 3HG1 VAL 6 -2.039 -6.859 -2.420 108 1HG2 VAL 6 1HG2 VAL 6 -0.731 -9.630 -2.972 109 2HG2 VAL 6 2HG2 VAL 6 -1.425 -10.385 -1.537 110 3HG2 VAL 6 3HG2 VAL 6 0.301 -10.030 -1.599 111 HA PRO 7 HA PRO 7 0.425 -3.338 -0.349 112 1HB PRO 7 2HB PRO 7 -1.325 -1.944 -1.923 113 2HB PRO 7 1HB PRO 7 0.371 -2.214 -2.337 114 1HG PRO 7 2HG PRO 7 -2.066 -3.672 -3.278 115 2HG PRO 7 1HG PRO 7 -0.642 -3.156 -4.201 116 1HD PRO 7 2HD PRO 7 -0.972 -5.702 -3.379 117 2HD PRO 7 1HD PRO 7 0.630 -4.943 -3.478 118 H GLU 8 H GLU 8 -0.696 -2.499 1.308 119 HA GLU 8 HA GLU 8 -3.268 -3.666 1.963 120 1HB GLU 8 2HB GLU 8 -1.962 -1.520 3.602 121 2HB GLU 8 1HB GLU 8 -2.948 -2.876 4.134 122 1HG GLU 8 2HG GLU 8 -1.003 -4.330 3.288 123 2HG GLU 8 1HG GLU 8 -0.075 -2.836 3.332 124 H TYR 9 H TYR 9 -3.771 -2.399 -0.204 125 HA TYR 9 HA TYR 9 -5.573 -0.302 0.564 126 1HB TYR 9 2HB TYR 9 -3.498 0.986 0.310 127 2HB TYR 9 1HB TYR 9 -3.296 0.367 -1.321 128 HD1 TYR 9 HD1 TYR 9 -3.812 1.883 -2.974 129 HD2 TYR 9 HD2 TYR 9 -6.017 2.012 0.662 130 HE1 TYR 9 HE1 TYR 9 -5.122 3.775 -3.842 131 HE2 TYR 9 HE2 TYR 9 -7.334 3.902 -0.197 132 HH TYR 9 HH TYR 9 -7.864 4.668 -2.937 133 H PHE 10 HN PHE 10 -6.967 0.325 -1.168 134 HA PHE 10 HA PHE 10 -6.888 -1.029 -3.691 135 1HB PHE 10 2HB PHE 10 -7.784 -2.802 -2.150 136 2HB PHE 10 1HB PHE 10 -9.122 -1.728 -1.761 137 HD1 PHE 10 HD1 PHE 10 -7.472 -2.688 -4.972 138 HD2 PHE 10 HD2 PHE 10 -11.060 -2.525 -2.688 139 HE1 PHE 10 HE1 PHE 10 -8.730 -3.568 -6.894 140 HE2 PHE 10 HE2 PHE 10 -12.324 -3.406 -4.606 141 HZ PHE 10 HZ PHE 10 -11.160 -3.928 -6.712 Start of MODEL 20 1 1H VAL 11 1HT VAL 11 2.787 5.606 0.941 2 2H VAL 11 2HT VAL 11 2.033 4.164 0.475 3 3H VAL 11 3HT VAL 11 3.577 4.540 -0.107 4 HA VAL 11 HA VAL 11 2.830 3.215 2.276 5 HB VAL 11 HB VAL 11 5.328 2.822 2.373 6 1HG1 VAL 11 1HG1 VAL 11 3.945 1.169 1.369 7 2HG1 VAL 11 2HG1 VAL 11 5.317 1.413 0.288 8 3HG1 VAL 11 3HG1 VAL 11 3.753 2.130 -0.097 9 1HG2 VAL 11 1HG2 VAL 11 6.694 4.104 1.173 10 2HG2 VAL 11 2HG2 VAL 11 5.311 4.954 0.483 11 3HG2 VAL 11 3HG2 VAL 11 5.942 3.508 -0.307 12 H GLY 12 H GLY 12 2.101 5.724 2.870 13 1HA GLY 12 2HA GLY 12 2.242 7.127 4.700 14 2HA GLY 12 1HA GLY 12 3.733 6.325 5.163 15 H ILE 13 H ILE 13 5.545 6.764 3.459 16 HA ILE 13 HA ILE 13 5.944 9.617 3.455 17 HB ILE 13 HB ILE 13 7.708 7.432 2.331 18 1HG1 ILE 13 2HG1 ILE 13 7.355 7.154 4.737 19 2HG1 ILE 13 1HG1 ILE 13 9.002 7.683 4.412 20 1HG2 ILE 13 1HG2 ILE 13 8.438 10.266 3.051 21 2HG2 ILE 13 2HG2 ILE 13 8.113 9.705 1.410 22 3HG2 ILE 13 3HG2 ILE 13 9.480 9.049 2.312 23 1HD1 ILE 13 1HD1 ILE 13 7.226 8.789 6.219 24 2HD1 ILE 13 2HD1 ILE 13 7.238 9.925 4.870 25 3HD1 ILE 13 3HD1 ILE 13 8.748 9.490 5.671 26 H GLY 14 H GLY 14 5.339 10.924 1.878 27 1HA GLY 14 2HA GLY 14 4.977 11.753 -0.240 28 2HA GLY 14 1HA GLY 14 5.686 10.291 -0.895 29 H THR 15 H THR 15 4.205 8.316 -0.417 30 HA THR 15 HA THR 15 1.570 9.005 -1.494 31 HB THR 15 HB THR 15 1.490 6.449 -1.883 32 HG1 THR 15 HG1 THR 15 4.290 6.559 -1.944 33 1HG2 THR 15 1HG2 THR 15 2.428 8.581 -3.416 34 2HG2 THR 15 2HG2 THR 15 1.937 6.991 -4.002 35 3HG2 THR 15 3HG2 THR 15 3.631 7.309 -3.626 36 HA PRO 16 HA PRO 16 -0.044 8.267 2.611 37 1HB PRO 16 2HB PRO 16 -2.693 8.296 1.857 38 2HB PRO 16 1HB PRO 16 -1.737 9.739 2.207 39 1HG PRO 16 2HG PRO 16 -2.434 8.516 -0.429 40 2HG PRO 16 1HG PRO 16 -2.359 10.227 0.031 41 1HD PRO 16 2HD PRO 16 -0.398 9.039 -1.383 42 2HD PRO 16 1HD PRO 16 -0.061 10.318 -0.198 43 H ILE 17 H ILE 17 -1.593 6.602 -0.134 44 HA ILE 17 HA ILE 17 -2.508 4.410 1.391 45 HB ILE 17 HB ILE 17 -3.596 4.927 -0.659 46 1HG1 ILE 17 2HG1 ILE 17 -2.154 2.301 -1.025 47 2HG1 ILE 17 1HG1 ILE 17 -3.538 2.548 0.035 48 1HG2 ILE 17 1HG2 ILE 17 -0.874 4.820 -1.778 49 2HG2 ILE 17 2HG2 ILE 17 -2.237 5.854 -2.203 50 3HG2 ILE 17 3HG2 ILE 17 -2.163 4.200 -2.809 51 1HD1 ILE 17 1HD1 ILE 17 -5.006 2.533 -1.666 52 2HD1 ILE 17 2HD1 ILE 17 -3.720 1.642 -2.481 53 3HD1 ILE 17 3HD1 ILE 17 -3.910 3.373 -2.764 54 H SER 18 H SER 18 -1.752 2.394 1.657 55 HA SER 18 HA SER 18 1.125 2.038 1.259 56 1HB SER 18 2HB SER 18 0.555 0.025 2.873 57 2HB SER 18 1HB SER 18 0.704 1.668 3.496 58 HG SER 18 HG SER 18 -1.206 0.986 4.286 59 H PHE 19 H PHE 19 1.441 -0.654 1.307 60 HA PHE 19 HA PHE 19 -0.191 -1.757 -0.874 61 1HB PHE 19 2HB PHE 19 2.836 -1.652 -0.848 62 2HB PHE 19 1HB PHE 19 1.886 -2.617 -1.967 63 HD1 PHE 19 HD1 PHE 19 2.504 0.890 -0.893 64 HD2 PHE 19 HD2 PHE 19 1.161 -1.716 -3.976 65 HE1 PHE 19 HE1 PHE 19 2.407 2.791 -2.451 66 HE2 PHE 19 HE2 PHE 19 1.060 0.180 -5.540 67 HZ PHE 19 HZ PHE 19 1.684 2.437 -4.778 68 H TYR 20 H TYR 20 0.597 -4.096 -1.276 69 HA TYR 20 HA TYR 20 1.660 -5.528 0.961 70 1HB TYR 20 2HB TYR 20 -0.312 -6.886 1.454 71 2HB TYR 20 1HB TYR 20 -0.622 -5.198 1.798 72 HD1 TYR 20 HD1 TYR 20 -2.313 -3.987 0.597 73 HD2 TYR 20 HD2 TYR 20 -1.373 -7.985 -0.494 74 HE1 TYR 20 HE1 TYR 20 -4.356 -4.087 -0.763 75 HE2 TYR 20 HE2 TYR 20 -3.409 -8.095 -1.868 76 HH TYR 20 HH TYR 20 -5.798 -5.536 -1.814 77 H GLY 21 HN GLY 21 1.622 -7.881 0.540 78 1HA GLY 21 2HA GLY 21 2.144 -9.656 -0.820 79 2HA GLY 21 1HA GLY 21 0.937 -9.016 -1.925 80 2H GLY 1 H GLY 1 -0.244 -2.396 2.883 81 1HA GLY 1 2HA GLY 1 -1.017 -1.537 5.579 82 2HA GLY 1 1HA GLY 1 -0.284 -3.124 5.397 83 H GLY 2 H GLY 2 1.586 -2.458 3.375 84 1HA GLY 2 2HA GLY 2 3.196 -0.239 4.225 85 2HA GLY 2 1HA GLY 2 3.813 -1.775 4.805 86 H ALA 3 H ALA 3 5.448 -2.330 3.602 87 HA ALA 3 HA ALA 3 5.695 -1.583 0.844 88 1HB ALA 3 1HB ALA 3 7.854 -2.256 1.011 89 2HB ALA 3 2HB ALA 3 7.443 -3.711 1.917 90 3HB ALA 3 3HB ALA 3 7.518 -2.153 2.739 91 H GLY 4 H GLY 4 5.243 -2.800 -0.942 92 1HA GLY 4 2HA GLY 4 5.009 -5.600 -0.986 93 2HA GLY 4 1HA GLY 4 3.408 -4.906 -0.763 94 H HIS 5 H HIS 5 2.533 -5.401 -2.730 95 HA HIS 5 HA HIS 5 3.734 -4.002 -5.022 96 1HB HIS 5 2HB HIS 5 2.580 -6.799 -5.085 97 2HB HIS 5 1HB HIS 5 3.065 -5.878 -6.502 98 HD1 HIS 5 HD1 HIS 5 4.584 -7.411 -3.372 99 HD2 HIS 5 HD2 HIS 5 5.684 -6.161 -7.193 100 HE1 HIS 5 HE1 HIS 5 6.997 -8.075 -3.641 101 HE2 HIS 5 HE2 HIS 5 7.602 -7.421 -5.998 102 H VAL 6 H VAL 6 0.826 -5.536 -3.692 103 HA VAL 6 HA VAL 6 -0.852 -4.007 -5.526 104 HB VAL 6 HB VAL 6 -1.736 -5.920 -3.358 105 1HG1 VAL 6 1HG1 VAL 6 -3.832 -5.589 -4.053 106 2HG1 VAL 6 2HG1 VAL 6 -3.371 -5.656 -5.754 107 3HG1 VAL 6 3HG1 VAL 6 -3.208 -4.147 -4.855 108 1HG2 VAL 6 1HG2 VAL 6 -0.180 -6.669 -5.439 109 2HG2 VAL 6 2HG2 VAL 6 -1.783 -6.824 -6.158 110 3HG2 VAL 6 3HG2 VAL 6 -1.389 -7.708 -4.683 111 HA PRO 7 HA PRO 7 -1.222 -0.724 -2.541 112 1HB PRO 7 2HB PRO 7 -3.413 0.481 -3.686 113 2HB PRO 7 1HB PRO 7 -1.747 0.726 -4.216 114 1HG PRO 7 2HG PRO 7 -3.859 -1.050 -5.357 115 2HG PRO 7 1HG PRO 7 -2.650 -0.059 -6.195 116 1HD PRO 7 2HD PRO 7 -2.372 -2.725 -5.907 117 2HD PRO 7 1HD PRO 7 -0.979 -1.624 -5.899 118 H GLU 8 H GLU 8 -2.335 -0.394 -0.703 119 HA GLU 8 HA GLU 8 -4.401 -2.261 0.012 120 1HB GLU 8 2HB GLU 8 -2.913 -0.124 1.517 121 2HB GLU 8 1HB GLU 8 -4.305 -0.934 2.224 122 1HG GLU 8 2HG GLU 8 -3.158 -3.100 1.850 123 2HG GLU 8 1HG GLU 8 -1.738 -2.206 1.313 124 H TYR 9 H TYR 9 -5.624 -1.197 -1.840 125 HA TYR 9 HA TYR 9 -6.977 1.265 -1.241 126 1HB TYR 9 2HB TYR 9 -8.395 0.543 -3.276 127 2HB TYR 9 1HB TYR 9 -6.704 0.944 -3.535 128 HD1 TYR 9 HD1 TYR 9 -8.513 -2.175 -2.473 129 HD2 TYR 9 HD2 TYR 9 -5.771 -0.364 -5.175 130 HE1 TYR 9 HE1 TYR 9 -8.156 -4.350 -3.560 131 HE2 TYR 9 HE2 TYR 9 -5.408 -2.536 -6.268 132 HH TYR 9 HH TYR 9 -6.129 -5.392 -4.969 133 H PHE 10 HN PHE 10 -9.212 1.527 -0.880 134 HA PHE 10 HA PHE 10 -10.898 -0.706 -0.269 135 1HB PHE 10 2HB PHE 10 -9.469 -0.488 1.798 136 2HB PHE 10 1HB PHE 10 -10.102 1.140 2.001 137 HD1 PHE 10 HD1 PHE 10 -11.513 1.197 3.806 138 HD2 PHE 10 HD2 PHE 10 -11.712 -2.119 1.146 139 HE1 PHE 10 HE1 PHE 10 -13.416 0.295 5.079 140 HE2 PHE 10 HE2 PHE 10 -13.617 -3.025 2.412 141 HZ PHE 10 HZ PHE 10 -14.471 -1.818 4.381
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