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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 | bmrb_id | cing | stage | position | program | type |
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653514 |
6xth ![]() ![]() |
34478 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 2.256 -0.126 0.156 2 HA2 GLY 1 1HA GLY 1 3.175 -1.156 -2.234 3 HA3 GLY 1 2HA GLY 1 1.401 -1.002 -2.463 4 H SER 2 H SER 2 2.399 0.873 -4.016 5 HA SER 2 HA SER 2 2.522 3.312 -2.293 6 HB2 SER 2 1HB SER 2 4.279 2.591 -4.653 7 HB3 SER 2 2HB SER 2 4.247 4.173 -3.851 8 HG SER 2 HG SER 2 4.648 2.844 -1.861 9 H ARG 3 H ARG 3 1.070 1.900 -5.029 10 HA ARG 3 HA ARG 3 0.824 4.314 -6.570 11 HB2 ARG 3 1HB ARG 3 -0.810 1.788 -6.919 12 HB3 ARG 3 2HB ARG 3 -0.418 3.009 -8.128 13 HG2 ARG 3 1HG ARG 3 1.462 0.992 -6.854 14 HG3 ARG 3 2HG ARG 3 0.872 1.023 -8.519 15 HD2 ARG 3 1HD ARG 3 1.982 3.421 -8.525 16 HD3 ARG 3 2HD ARG 3 2.937 2.755 -7.193 17 HE ARG 3 HE ARG 3 3.107 0.806 -9.124 18 HH11 ARG 3 1HH1 ARG 3 3.817 4.272 -9.166 19 HH12 ARG 3 2HH1 ARG 3 5.011 4.087 -10.438 20 HH21 ARG 3 1HH2 ARG 3 4.625 0.660 -10.713 21 HH22 ARG 3 2HH2 ARG 3 5.468 2.090 -11.285 22 H GLY 4 H GLY 4 -2.141 2.503 -5.947 23 HA2 GLY 4 1HA GLY 4 -3.469 5.080 -5.415 24 HA3 GLY 4 2HA GLY 4 -4.264 3.504 -5.643 25 H TRP 5 H TRP 5 -5.513 4.258 -3.644 26 HA TRP 5 HA TRP 5 -3.881 4.120 -1.184 27 HB2 TRP 5 1HB TRP 5 -6.769 4.878 -1.175 28 HB3 TRP 5 2HB TRP 5 -5.437 5.472 -0.183 29 HD1 TRP 5 HD1 TRP 5 -7.645 6.658 -2.785 30 HE1 TRP 5 HE1 TRP 5 -6.736 8.670 -4.063 31 HE3 TRP 5 HE3 TRP 5 -2.764 6.227 -1.396 32 HZ2 TRP 5 HZ2 TRP 5 -4.214 9.960 -4.373 33 HZ3 TRP 5 HZ3 TRP 5 -1.131 7.897 -2.225 34 HH2 TRP 5 HH2 TRP 5 -1.859 9.746 -3.698 35 H GLY 6 H GLY 6 -4.473 2.883 0.663 36 HA2 GLY 6 1HA GLY 6 -6.914 1.904 1.241 37 HA3 GLY 6 2HA GLY 6 -6.294 0.631 0.205 38 H PHE 7 H PHE 7 -4.344 -0.523 0.913 39 HA PHE 7 HA PHE 7 -4.219 -0.701 3.893 40 HB2 PHE 7 1HB PHE 7 -5.029 -2.596 1.808 41 HB3 PHE 7 2HB PHE 7 -3.716 -3.242 2.782 42 HD1 PHE 7 HD1 PHE 7 -6.672 -1.096 3.633 43 HD2 PHE 7 HD2 PHE 7 -4.572 -4.753 4.313 44 HE1 PHE 7 HE1 PHE 7 -8.298 -1.700 5.393 45 HE2 PHE 7 HE2 PHE 7 -6.228 -5.393 6.021 46 HZ PHE 7 HZ PHE 7 -8.107 -3.876 6.554 47 H GLU 8 H GLU 8 -2.208 -2.485 4.248 48 HA GLU 8 HA GLU 8 0.051 -2.796 4.195 49 HB2 GLU 8 1HB GLU 8 0.136 -3.597 2.019 50 HB3 GLU 8 2HB GLU 8 -0.625 -2.176 1.339 51 HG2 GLU 8 1HG GLU 8 1.611 -0.929 1.870 52 HG3 GLU 8 2HG GLU 8 2.308 -2.543 2.042 53 HA PRO 9 HA PRO 9 1.768 1.107 5.407 54 HB2 PRO 9 1HB PRO 9 4.449 0.457 5.471 55 HB3 PRO 9 2HB PRO 9 3.290 -0.075 6.733 56 HG2 PRO 9 1HG PRO 9 4.282 -1.584 4.318 57 HG3 PRO 9 2HG PRO 9 4.183 -2.126 6.022 58 HD2 PRO 9 1HD PRO 9 2.301 -2.799 4.221 59 HD3 PRO 9 2HD PRO 9 1.856 -2.406 5.916 60 H GLY 10 H GLY 10 1.805 2.739 4.020 61 HA2 GLY 10 1HA GLY 10 3.005 3.821 2.077 62 HA3 GLY 10 2HA GLY 10 2.903 2.236 1.288 63 H VAL 11 H VAL 11 0.235 1.868 2.707 64 HA VAL 11 HA VAL 11 -1.965 2.181 2.385 65 HB VAL 11 HB VAL 11 -1.317 5.051 1.623 66 HG11 VAL 11 1HG1 VAL 11 -3.609 5.437 2.574 67 HG12 VAL 11 2HG1 VAL 11 -3.606 4.472 1.090 68 HG13 VAL 11 3HG1 VAL 11 -3.826 3.675 2.669 69 HG21 VAL 11 1HG2 VAL 11 -1.780 3.756 4.340 70 HG22 VAL 11 2HG2 VAL 11 -0.297 4.561 3.776 71 HG23 VAL 11 3HG2 VAL 11 -1.770 5.509 4.042 72 H ARG 12 H ARG 12 -1.888 0.697 0.750 73 HA ARG 12 HA ARG 12 -2.894 1.693 -1.846 74 HB2 ARG 12 1HB ARG 12 -0.292 1.222 -1.752 75 HB3 ARG 12 2HB ARG 12 -0.790 -0.467 -1.795 76 HG2 ARG 12 1HG ARG 12 -1.360 1.653 -3.886 77 HG3 ARG 12 2HG ARG 12 -0.179 0.346 -3.999 78 HD2 ARG 12 1HD ARG 12 -2.092 -1.290 -3.810 79 HD3 ARG 12 2HD ARG 12 -3.191 0.084 -3.926 80 HE ARG 12 HE ARG 12 -2.790 0.261 -6.179 81 HH11 ARG 12 1HH1 ARG 12 -0.378 -1.973 -4.854 82 HH12 ARG 12 2HH1 ARG 12 0.155 -2.450 -6.457 83 HH21 ARG 12 1HH2 ARG 12 -2.129 -0.481 -8.136 84 HH22 ARG 12 2HH2 ARG 12 -0.826 -1.651 -8.262 85 H CYS 13 H CYS 13 -4.768 0.518 -2.189 86 HA CYS 13 HA CYS 13 -5.459 -1.778 -0.642 87 HB2 CYS 13 1HB CYS 13 -7.066 -0.281 -1.864 88 HB3 CYS 13 2HB CYS 13 -6.504 -0.995 -3.385 89 H LEU 14 H LEU 14 -4.151 -3.511 -0.635 90 HA LEU 14 HA LEU 14 -3.184 -4.552 -3.254 91 HB2 LEU 14 1HB LEU 14 -1.733 -3.710 -1.141 92 HB3 LEU 14 2HB LEU 14 -2.001 -5.357 -0.624 93 HG LEU 14 HG LEU 14 0.141 -5.153 -1.616 94 HD11 LEU 14 1HD1 LEU 14 -1.660 -6.602 -3.586 95 HD12 LEU 14 2HD1 LEU 14 0.081 -6.865 -3.342 96 HD13 LEU 14 3HD1 LEU 14 -1.063 -7.263 -2.045 97 HD21 LEU 14 1HD2 LEU 14 -1.209 -4.197 -4.162 98 HD22 LEU 14 2HD2 LEU 14 -0.311 -3.173 -3.012 99 HD23 LEU 14 3HD2 LEU 14 0.532 -4.455 -3.907 100 H ILE 15 H ILE 15 -4.251 -5.617 0.008 101 HA ILE 15 HA ILE 15 -5.447 -8.017 -1.297 102 HB ILE 15 HB ILE 15 -4.229 -7.903 1.496 103 HG12 ILE 15 1HG1 ILE 15 -3.191 -9.279 -1.001 104 HG13 ILE 15 2HG1 ILE 15 -2.532 -7.794 -0.326 105 HG21 ILE 15 1HG2 ILE 15 -4.639 -10.349 1.475 106 HG22 ILE 15 2HG2 ILE 15 -6.140 -9.430 1.288 107 HG23 ILE 15 3HG2 ILE 15 -5.396 -10.203 -0.130 108 HD11 ILE 15 1HD1 ILE 15 -2.467 -10.528 0.958 109 HD12 ILE 15 2HD1 ILE 15 -1.106 -9.570 0.336 110 HD13 ILE 15 3HD1 ILE 15 -1.989 -9.019 1.777 111 H TRP 16 H TRP 16 -7.546 -7.867 -1.205 112 HA TRP 16 HA TRP 16 -9.536 -6.722 -0.720 113 HB2 TRP 16 1HB TRP 16 -9.529 -8.359 1.762 114 HB3 TRP 16 2HB TRP 16 -10.730 -8.221 0.479 115 HD1 TRP 16 HD1 TRP 16 -8.348 -10.604 1.835 116 HE1 TRP 16 HE1 TRP 16 -7.711 -12.474 0.217 117 HE3 TRP 16 HE3 TRP 16 -10.229 -8.520 -2.423 118 HZ2 TRP 16 HZ2 TRP 16 -7.879 -12.919 -2.586 119 HZ3 TRP 16 HZ3 TRP 16 -9.951 -9.730 -4.565 120 HH2 TRP 16 HH2 TRP 16 -8.783 -11.908 -4.640 121 H CYS 17 H CYS 17 -8.684 -4.554 -0.291 122 HA CYS 17 HA CYS 17 -8.197 -3.790 2.450 123 HB2 CYS 17 1HB CYS 17 -8.112 -1.515 1.559 124 HB3 CYS 17 2HB CYS 17 -7.152 -2.636 0.586 125 H ASP 18 H ASP 18 -9.367 -2.058 3.554 126 HA ASP 18 HA ASP 18 -11.869 -2.603 4.426 127 HB2 ASP 18 1HB ASP 18 -10.472 -0.720 5.279 128 HB3 ASP 18 2HB ASP 18 -10.842 0.214 3.824 129 HC ASP 18 HC ASP 18 -12.416 -1.364 1.690 Start of MODEL 2 1 H1 GLY 1 H GLY 1 3.421 -1.892 -0.349 2 HA2 GLY 1 1HA GLY 1 4.005 -0.585 -2.162 3 HA3 GLY 1 2HA GLY 1 2.321 -0.806 -2.642 4 H SER 2 H SER 2 2.557 1.289 -3.717 5 HA SER 2 HA SER 2 1.846 3.477 -1.862 6 HB2 SER 2 1HB SER 2 4.158 3.579 -3.816 7 HB3 SER 2 2HB SER 2 3.507 4.965 -2.921 8 HG SER 2 HG SER 2 4.934 4.361 -1.486 9 H ARG 3 H ARG 3 0.819 1.907 -4.391 10 HA ARG 3 HA ARG 3 0.241 4.184 -6.157 11 HB2 ARG 3 1HB ARG 3 -0.814 1.351 -6.391 12 HB3 ARG 3 2HB ARG 3 -0.740 2.584 -7.648 13 HG2 ARG 3 1HG ARG 3 1.595 1.091 -6.408 14 HG3 ARG 3 2HG ARG 3 0.944 0.922 -8.040 15 HD2 ARG 3 1HD ARG 3 1.468 3.553 -8.076 16 HD3 ARG 3 2HD ARG 3 2.669 3.061 -6.879 17 HE ARG 3 HE ARG 3 3.032 1.256 -8.927 18 HH11 ARG 3 1HH1 ARG 3 3.013 4.791 -8.832 19 HH12 ARG 3 2HH1 ARG 3 4.082 4.909 -10.220 20 HH21 ARG 3 1HH2 ARG 3 4.418 1.494 -10.638 21 HH22 ARG 3 2HH2 ARG 3 4.886 3.092 -11.192 22 H GLY 4 H GLY 4 -2.525 2.625 -6.594 23 HA2 GLY 4 1HA GLY 4 -4.008 4.702 -5.358 24 HA3 GLY 4 2HA GLY 4 -4.687 3.233 -6.068 25 H TRP 5 H TRP 5 -5.141 4.920 -3.535 26 HA TRP 5 HA TRP 5 -3.777 3.882 -1.365 27 HB2 TRP 5 1HB TRP 5 -6.515 5.124 -1.160 28 HB3 TRP 5 2HB TRP 5 -5.140 5.310 -0.074 29 HD1 TRP 5 HD1 TRP 5 -6.923 7.195 -2.609 30 HE1 TRP 5 HE1 TRP 5 -5.565 9.133 -3.570 31 HE3 TRP 5 HE3 TRP 5 -2.328 5.717 -0.975 32 HZ2 TRP 5 HZ2 TRP 5 -2.825 9.911 -3.629 33 HZ3 TRP 5 HZ3 TRP 5 -0.357 7.105 -1.529 34 HH2 TRP 5 HH2 TRP 5 -0.609 9.180 -2.849 35 H GLY 6 H GLY 6 -4.284 2.701 0.493 36 HA2 GLY 6 1HA GLY 6 -6.759 1.608 1.142 37 HA3 GLY 6 2HA GLY 6 -5.979 0.419 0.101 38 H PHE 7 H PHE 7 -5.183 -1.181 1.230 39 HA PHE 7 HA PHE 7 -4.320 -0.861 4.012 40 HB2 PHE 7 1HB PHE 7 -5.011 -3.027 2.111 41 HB3 PHE 7 2HB PHE 7 -3.722 -3.453 3.226 42 HD1 PHE 7 HD1 PHE 7 -6.813 -1.376 3.701 43 HD2 PHE 7 HD2 PHE 7 -4.583 -4.833 4.861 44 HE1 PHE 7 HE1 PHE 7 -8.474 -1.853 5.456 45 HE2 PHE 7 HE2 PHE 7 -6.241 -5.314 6.619 46 HZ PHE 7 HZ PHE 7 -8.197 -3.830 6.916 47 H GLU 8 H GLU 8 -2.146 -2.759 3.978 48 HA GLU 8 HA GLU 8 0.098 -2.914 3.700 49 HB2 GLU 8 1HB GLU 8 -0.289 -3.298 1.358 50 HB3 GLU 8 2HB GLU 8 -0.620 -1.611 1.052 51 HG2 GLU 8 1HG GLU 8 2.058 -1.667 2.087 52 HG3 GLU 8 2HG GLU 8 1.933 -3.020 0.972 53 HA PRO 9 HA PRO 9 1.648 0.910 5.376 54 HB2 PRO 9 1HB PRO 9 4.316 0.224 5.518 55 HB3 PRO 9 2HB PRO 9 3.096 -0.358 6.696 56 HG2 PRO 9 1HG PRO 9 4.196 -1.752 4.264 57 HG3 PRO 9 2HG PRO 9 3.982 -2.383 5.926 58 HD2 PRO 9 1HD PRO 9 2.217 -2.909 3.954 59 HD3 PRO 9 2HD PRO 9 1.674 -2.651 5.648 60 H GLY 10 H GLY 10 1.905 2.668 4.180 61 HA2 GLY 10 1HA GLY 10 3.053 3.939 2.444 62 HA3 GLY 10 2HA GLY 10 3.268 2.440 1.531 63 H VAL 11 H VAL 11 0.373 1.860 2.626 64 HA VAL 11 HA VAL 11 -1.786 2.268 2.216 65 HB VAL 11 HB VAL 11 -1.048 5.052 1.258 66 HG11 VAL 11 1HG1 VAL 11 -3.371 4.363 0.841 67 HG12 VAL 11 2HG1 VAL 11 -3.552 3.892 2.548 68 HG13 VAL 11 3HG1 VAL 11 -3.297 5.599 2.111 69 HG21 VAL 11 1HG2 VAL 11 -1.453 3.980 4.078 70 HG22 VAL 11 2HG2 VAL 11 0.004 4.763 3.419 71 HG23 VAL 11 3HG2 VAL 11 -1.477 5.707 3.650 72 H ARG 12 H ARG 12 -1.742 0.664 0.654 73 HA ARG 12 HA ARG 12 -2.812 1.652 -1.910 74 HB2 ARG 12 1HB ARG 12 -0.272 1.118 -2.055 75 HB3 ARG 12 2HB ARG 12 -0.768 -0.570 -1.926 76 HG2 ARG 12 1HG ARG 12 -1.851 1.282 -4.050 77 HG3 ARG 12 2HG ARG 12 -0.335 0.394 -4.231 78 HD2 ARG 12 1HD ARG 12 -2.047 -1.607 -3.469 79 HD3 ARG 12 2HD ARG 12 -3.104 -0.559 -4.432 80 HE ARG 12 HE ARG 12 -0.616 -0.888 -5.788 81 HH11 ARG 12 1HH1 ARG 12 -3.512 -2.830 -5.068 82 HH12 ARG 12 2HH1 ARG 12 -3.251 -3.833 -6.481 83 HH21 ARG 12 1HH2 ARG 12 -0.377 -2.212 -7.502 84 HH22 ARG 12 2HH2 ARG 12 -1.529 -3.500 -7.816 85 H CYS 13 H CYS 13 -4.528 0.413 -2.551 86 HA CYS 13 HA CYS 13 -5.449 -1.725 -0.844 87 HB2 CYS 13 1HB CYS 13 -6.913 -0.193 -2.202 88 HB3 CYS 13 2HB CYS 13 -6.375 -1.055 -3.656 89 H LEU 14 H LEU 14 -3.635 -3.126 -0.785 90 HA LEU 14 HA LEU 14 -2.967 -4.582 -3.261 91 HB2 LEU 14 1HB LEU 14 -1.486 -3.660 -1.202 92 HB3 LEU 14 2HB LEU 14 -1.837 -5.251 -0.572 93 HG LEU 14 HG LEU 14 0.339 -5.148 -1.567 94 HD11 LEU 14 1HD1 LEU 14 -1.496 -6.824 -3.312 95 HD12 LEU 14 2HD1 LEU 14 0.247 -7.065 -3.067 96 HD13 LEU 14 3HD1 LEU 14 -0.875 -7.286 -1.710 97 HD21 LEU 14 1HD2 LEU 14 -0.983 -4.551 -4.231 98 HD22 LEU 14 2HD2 LEU 14 -0.133 -3.357 -3.220 99 HD23 LEU 14 3HD2 LEU 14 0.753 -4.738 -3.903 100 H ILE 15 H ILE 15 -4.260 -5.258 0.013 101 HA ILE 15 HA ILE 15 -5.396 -7.789 -1.075 102 HB ILE 15 HB ILE 15 -4.263 -7.404 1.728 103 HG12 ILE 15 1HG1 ILE 15 -3.176 -9.052 -0.576 104 HG13 ILE 15 2HG1 ILE 15 -2.522 -7.501 -0.064 105 HG21 ILE 15 1HG2 ILE 15 -6.178 -8.931 1.635 106 HG22 ILE 15 2HG2 ILE 15 -5.417 -9.844 0.314 107 HG23 ILE 15 3HG2 ILE 15 -4.690 -9.840 1.939 108 HD11 ILE 15 1HD1 ILE 15 -2.026 -8.466 2.175 109 HD12 ILE 15 2HD1 ILE 15 -2.507 -10.060 1.542 110 HD13 ILE 15 3HD1 ILE 15 -1.125 -9.200 0.831 111 H TRP 16 H TRP 16 -7.501 -7.548 -1.127 112 HA TRP 16 HA TRP 16 -9.579 -6.593 -0.668 113 HB2 TRP 16 1HB TRP 16 -9.206 -8.059 1.926 114 HB3 TRP 16 2HB TRP 16 -10.620 -7.974 0.872 115 HD1 TRP 16 HD1 TRP 16 -8.062 -10.329 1.854 116 HE1 TRP 16 HE1 TRP 16 -7.633 -12.193 0.163 117 HE3 TRP 16 HE3 TRP 16 -10.576 -8.294 -2.088 118 HZ2 TRP 16 HZ2 TRP 16 -8.171 -12.635 -2.593 119 HZ3 TRP 16 HZ3 TRP 16 -10.596 -9.510 -4.246 120 HH2 TRP 16 HH2 TRP 16 -9.392 -11.655 -4.493 121 H CYS 17 H CYS 17 -8.575 -4.316 -0.362 122 HA CYS 17 HA CYS 17 -8.264 -3.409 2.347 123 HB2 CYS 17 1HB CYS 17 -8.038 -1.200 1.362 124 HB3 CYS 17 2HB CYS 17 -7.098 -2.391 0.449 125 H ASP 18 H ASP 18 -9.433 -1.654 3.362 126 HA ASP 18 HA ASP 18 -12.335 -1.926 3.174 127 HB2 ASP 18 1HB ASP 18 -11.190 -1.505 5.371 128 HB3 ASP 18 2HB ASP 18 -10.669 0.076 4.772 129 HC ASP 18 HC ASP 18 -12.827 -0.007 1.788 Start of MODEL 3 1 H1 GLY 1 H GLY 1 2.305 -0.355 0.359 2 HA2 GLY 1 1HA GLY 1 3.050 -1.321 -2.126 3 HA3 GLY 1 2HA GLY 1 1.319 -0.957 -2.295 4 H SER 2 H SER 2 2.158 0.727 -3.880 5 HA SER 2 HA SER 2 2.743 3.227 -2.379 6 HB2 SER 2 1HB SER 2 4.307 2.150 -4.745 7 HB3 SER 2 2HB SER 2 4.491 3.770 -4.047 8 HG SER 2 HG SER 2 4.753 2.370 -1.990 9 H ARG 3 H ARG 3 0.914 1.766 -4.767 10 HA ARG 3 HA ARG 3 0.717 4.092 -6.518 11 HB2 ARG 3 1HB ARG 3 -0.997 1.590 -6.546 12 HB3 ARG 3 2HB ARG 3 -0.725 2.731 -7.863 13 HG2 ARG 3 1HG ARG 3 1.260 0.753 -6.694 14 HG3 ARG 3 2HG ARG 3 0.484 0.702 -8.281 15 HD2 ARG 3 1HD ARG 3 1.602 3.029 -8.628 16 HD3 ARG 3 2HD ARG 3 2.644 2.553 -7.281 17 HE ARG 3 HE ARG 3 2.654 0.398 -9.071 18 HH11 ARG 3 1HH1 ARG 3 3.649 3.791 -9.187 19 HH12 ARG 3 2HH1 ARG 3 4.870 3.469 -10.405 20 HH21 ARG 3 1HH2 ARG 3 4.229 0.074 -10.583 21 HH22 ARG 3 2HH2 ARG 3 5.207 1.412 -11.160 22 H GLY 4 H GLY 4 -2.381 3.007 -6.519 23 HA2 GLY 4 1HA GLY 4 -3.367 5.396 -5.240 24 HA3 GLY 4 2HA GLY 4 -4.341 4.026 -5.813 25 H TRP 5 H TRP 5 -5.391 4.895 -3.606 26 HA TRP 5 HA TRP 5 -3.776 4.365 -1.280 27 HB2 TRP 5 1HB TRP 5 -6.659 5.147 -1.124 28 HB3 TRP 5 2HB TRP 5 -5.292 5.685 -0.145 29 HD1 TRP 5 HD1 TRP 5 -7.556 7.031 -2.602 30 HE1 TRP 5 HE1 TRP 5 -6.643 9.066 -3.843 31 HE3 TRP 5 HE3 TRP 5 -2.630 6.412 -1.445 32 HZ2 TRP 5 HZ2 TRP 5 -4.092 10.264 -4.260 33 HZ3 TRP 5 HZ3 TRP 5 -0.984 8.037 -2.322 34 HH2 TRP 5 HH2 TRP 5 -1.715 9.949 -3.710 35 H GLY 6 H GLY 6 -4.308 3.227 0.633 36 HA2 GLY 6 1HA GLY 6 -6.633 2.086 1.348 37 HA3 GLY 6 2HA GLY 6 -5.984 0.854 0.271 38 H PHE 7 H PHE 7 -5.300 -0.777 1.414 39 HA PHE 7 HA PHE 7 -4.389 -0.559 4.169 40 HB2 PHE 7 1HB PHE 7 -5.116 -2.629 2.169 41 HB3 PHE 7 2HB PHE 7 -3.870 -3.136 3.299 42 HD1 PHE 7 HD1 PHE 7 -6.852 -0.923 3.881 43 HD2 PHE 7 HD2 PHE 7 -4.887 -4.621 4.748 44 HE1 PHE 7 HE1 PHE 7 -8.552 -1.424 5.587 45 HE2 PHE 7 HE2 PHE 7 -6.614 -5.147 6.422 46 HZ PHE 7 HZ PHE 7 -8.454 -3.551 6.848 47 H GLU 8 H GLU 8 -2.293 -2.332 4.413 48 HA GLU 8 HA GLU 8 -0.053 -2.684 4.124 49 HB2 GLU 8 1HB GLU 8 -0.590 -3.262 1.797 50 HB3 GLU 8 2HB GLU 8 -0.669 -1.569 1.350 51 HG2 GLU 8 1HG GLU 8 1.828 -1.412 2.053 52 HG3 GLU 8 2HG GLU 8 1.824 -3.178 1.981 53 HA PRO 9 HA PRO 9 1.735 1.222 5.322 54 HB2 PRO 9 1HB PRO 9 4.392 0.465 5.374 55 HB3 PRO 9 2HB PRO 9 3.231 0.038 6.672 56 HG2 PRO 9 1HG PRO 9 4.124 -1.613 4.314 57 HG3 PRO 9 2HG PRO 9 4.022 -2.079 6.041 58 HD2 PRO 9 1HD PRO 9 2.094 -2.746 4.290 59 HD3 PRO 9 2HD PRO 9 1.680 -2.256 5.969 60 H GLY 10 H GLY 10 1.954 2.854 3.937 61 HA2 GLY 10 1HA GLY 10 3.029 3.904 2.011 62 HA3 GLY 10 2HA GLY 10 3.151 2.310 1.254 63 H VAL 11 H VAL 11 0.289 1.986 2.608 64 HA VAL 11 HA VAL 11 -1.877 2.502 2.297 65 HB VAL 11 HB VAL 11 -0.958 5.153 1.124 66 HG11 VAL 11 1HG1 VAL 11 -3.530 4.257 2.491 67 HG12 VAL 11 2HG1 VAL 11 -3.124 5.942 2.090 68 HG13 VAL 11 3HG1 VAL 11 -3.331 4.756 0.792 69 HG21 VAL 11 1HG2 VAL 11 -1.230 5.986 3.475 70 HG22 VAL 11 2HG2 VAL 11 -1.387 4.299 4.015 71 HG23 VAL 11 3HG2 VAL 11 0.129 4.868 3.276 72 H ARG 12 H ARG 12 -1.871 0.769 0.835 73 HA ARG 12 HA ARG 12 -3.047 1.553 -1.735 74 HB2 ARG 12 1HB ARG 12 -0.738 1.261 -2.379 75 HB3 ARG 12 2HB ARG 12 -0.625 -0.245 -1.469 76 HG2 ARG 12 1HG ARG 12 -0.721 -0.777 -3.797 77 HG3 ARG 12 2HG ARG 12 -2.224 -1.311 -3.036 78 HD2 ARG 12 1HD ARG 12 -3.387 0.664 -3.878 79 HD3 ARG 12 2HD ARG 12 -1.887 1.266 -4.597 80 HE ARG 12 HE ARG 12 -2.241 -1.274 -5.674 81 HH11 ARG 12 1HH1 ARG 12 -4.197 1.664 -5.617 82 HH12 ARG 12 2HH1 ARG 12 -4.958 1.284 -7.157 83 HH21 ARG 12 1HH2 ARG 12 -3.265 -1.699 -7.589 84 HH22 ARG 12 2HH2 ARG 12 -4.440 -0.572 -8.247 85 H CYS 13 H CYS 13 -4.876 0.436 -2.006 86 HA CYS 13 HA CYS 13 -5.518 -1.928 -0.486 87 HB2 CYS 13 1HB CYS 13 -7.198 -0.358 -1.501 88 HB3 CYS 13 2HB CYS 13 -6.722 -0.953 -3.102 89 H LEU 14 H LEU 14 -4.059 -3.544 -0.676 90 HA LEU 14 HA LEU 14 -3.319 -4.446 -3.413 91 HB2 LEU 14 1HB LEU 14 -1.701 -3.640 -1.486 92 HB3 LEU 14 2HB LEU 14 -1.946 -5.246 -0.852 93 HG LEU 14 HG LEU 14 0.139 -5.033 -2.022 94 HD11 LEU 14 1HD1 LEU 14 0.015 -6.949 -3.520 95 HD12 LEU 14 2HD1 LEU 14 -0.959 -7.224 -2.063 96 HD13 LEU 14 3HD1 LEU 14 -1.754 -6.802 -3.599 97 HD21 LEU 14 1HD2 LEU 14 -1.443 -4.490 -4.555 98 HD22 LEU 14 2HD2 LEU 14 -0.536 -3.272 -3.623 99 HD23 LEU 14 3HD2 LEU 14 0.323 -4.621 -4.395 100 H ILE 15 H ILE 15 -4.160 -5.692 -0.154 101 HA ILE 15 HA ILE 15 -5.347 -8.080 -1.495 102 HB ILE 15 HB ILE 15 -4.138 -7.975 1.304 103 HG12 ILE 15 1HG1 ILE 15 -3.073 -9.312 -1.203 104 HG13 ILE 15 2HG1 ILE 15 -2.440 -7.824 -0.510 105 HG21 ILE 15 1HG2 ILE 15 -6.028 -9.530 1.072 106 HG22 ILE 15 2HG2 ILE 15 -5.259 -10.282 -0.342 107 HG23 ILE 15 3HG2 ILE 15 -4.513 -10.423 1.267 108 HD11 ILE 15 1HD1 ILE 15 -1.877 -9.060 1.579 109 HD12 ILE 15 2HD1 ILE 15 -2.339 -10.569 0.752 110 HD13 ILE 15 3HD1 ILE 15 -0.989 -9.593 0.134 111 H TRP 16 H TRP 16 -7.450 -7.996 -1.382 112 HA TRP 16 HA TRP 16 -9.432 -6.797 -0.872 113 HB2 TRP 16 1HB TRP 16 -9.608 -8.603 1.453 114 HB3 TRP 16 2HB TRP 16 -10.650 -8.427 0.044 115 HD1 TRP 16 HD1 TRP 16 -8.294 -10.782 1.560 116 HE1 TRP 16 HE1 TRP 16 -7.525 -12.612 -0.046 117 HE3 TRP 16 HE3 TRP 16 -9.971 -8.671 -2.769 118 HZ2 TRP 16 HZ2 TRP 16 -7.537 -13.025 -2.859 119 HZ3 TRP 16 HZ3 TRP 16 -9.563 -9.851 -4.907 120 HH2 TRP 16 HH2 TRP 16 -8.351 -12.006 -4.945 121 H CYS 17 H CYS 17 -8.752 -4.675 -0.237 122 HA CYS 17 HA CYS 17 -8.231 -4.156 2.557 123 HB2 CYS 17 1HB CYS 17 -8.286 -1.796 1.884 124 HB3 CYS 17 2HB CYS 17 -7.251 -2.777 0.836 125 H ASP 18 H ASP 18 -9.431 -2.749 3.925 126 HA ASP 18 HA ASP 18 -11.477 -2.826 5.193 127 HB2 ASP 18 1HB ASP 18 -10.771 -0.531 4.399 128 HB3 ASP 18 2HB ASP 18 -11.867 -0.717 3.027 129 HC ASP 18 HC ASP 18 -13.000 -3.358 2.567 Start of MODEL 4 1 H1 GLY 1 H GLY 1 2.103 -0.252 0.243 2 HA2 GLY 1 1HA GLY 1 2.972 -1.435 -2.172 3 HA3 GLY 1 2HA GLY 1 1.276 -0.936 -2.393 4 H SER 2 H SER 2 2.122 0.712 -3.940 5 HA SER 2 HA SER 2 2.921 3.132 -2.407 6 HB2 SER 2 1HB SER 2 4.871 1.875 -3.556 7 HB3 SER 2 2HB SER 2 4.192 2.511 -5.068 8 HG SER 2 HG SER 2 4.264 4.618 -3.907 9 H ARG 3 H ARG 3 1.002 1.752 -4.839 10 HA ARG 3 HA ARG 3 0.730 4.141 -6.461 11 HB2 ARG 3 1HB ARG 3 -1.023 1.675 -6.566 12 HB3 ARG 3 2HB ARG 3 -0.684 2.834 -7.852 13 HG2 ARG 3 1HG ARG 3 1.193 0.747 -6.695 14 HG3 ARG 3 2HG ARG 3 0.456 0.778 -8.299 15 HD2 ARG 3 1HD ARG 3 1.689 3.080 -8.519 16 HD3 ARG 3 2HD ARG 3 2.694 2.466 -7.200 17 HE ARG 3 HE ARG 3 2.620 0.413 -9.081 18 HH11 ARG 3 1HH1 ARG 3 3.695 3.783 -9.108 19 HH12 ARG 3 2HH1 ARG 3 4.868 3.477 -10.377 20 HH21 ARG 3 1HH2 ARG 3 4.140 0.109 -10.656 21 HH22 ARG 3 2HH2 ARG 3 5.137 1.444 -11.210 22 H GLY 4 H GLY 4 -2.361 3.109 -6.512 23 HA2 GLY 4 1HA GLY 4 -3.317 5.474 -5.186 24 HA3 GLY 4 2HA GLY 4 -4.308 4.131 -5.790 25 H TRP 5 H TRP 5 -5.361 5.004 -3.579 26 HA TRP 5 HA TRP 5 -3.803 4.425 -1.239 27 HB2 TRP 5 1HB TRP 5 -6.701 5.159 -1.127 28 HB3 TRP 5 2HB TRP 5 -5.361 5.701 -0.114 29 HD1 TRP 5 HD1 TRP 5 -7.609 7.076 -2.544 30 HE1 TRP 5 HE1 TRP 5 -6.714 9.150 -3.733 31 HE3 TRP 5 HE3 TRP 5 -2.676 6.475 -1.399 32 HZ2 TRP 5 HZ2 TRP 5 -4.176 10.388 -4.108 33 HZ3 TRP 5 HZ3 TRP 5 -1.046 8.138 -2.234 34 HH2 TRP 5 HH2 TRP 5 -1.797 10.081 -3.566 35 H GLY 6 H GLY 6 -4.347 3.260 0.645 36 HA2 GLY 6 1HA GLY 6 -6.662 2.099 1.339 37 HA3 GLY 6 2HA GLY 6 -6.012 0.881 0.249 38 H PHE 7 H PHE 7 -5.365 -0.761 1.412 39 HA PHE 7 HA PHE 7 -4.414 -0.555 4.146 40 HB2 PHE 7 1HB PHE 7 -5.173 -2.610 2.154 41 HB3 PHE 7 2HB PHE 7 -3.895 -3.131 3.238 42 HD1 PHE 7 HD1 PHE 7 -6.892 -0.957 3.883 43 HD2 PHE 7 HD2 PHE 7 -4.828 -4.599 4.752 44 HE1 PHE 7 HE1 PHE 7 -8.545 -1.474 5.630 45 HE2 PHE 7 HE2 PHE 7 -6.514 -5.149 6.460 46 HZ PHE 7 HZ PHE 7 -8.382 -3.589 6.905 47 H GLU 8 H GLU 8 -2.321 -2.353 4.354 48 HA GLU 8 HA GLU 8 -0.079 -2.687 4.065 49 HB2 GLU 8 1HB GLU 8 -0.588 -3.213 1.721 50 HB3 GLU 8 2HB GLU 8 -0.687 -1.511 1.311 51 HG2 GLU 8 1HG GLU 8 1.779 -1.292 1.991 52 HG3 GLU 8 2HG GLU 8 1.837 -3.059 2.011 53 HA PRO 9 HA PRO 9 1.683 1.219 5.328 54 HB2 PRO 9 1HB PRO 9 4.330 0.451 5.475 55 HB3 PRO 9 2HB PRO 9 3.126 0.022 6.732 56 HG2 PRO 9 1HG PRO 9 4.099 -1.623 4.402 57 HG3 PRO 9 2HG PRO 9 3.929 -2.095 6.121 58 HD2 PRO 9 1HD PRO 9 2.070 -2.742 4.281 59 HD3 PRO 9 2HD PRO 9 1.597 -2.287 5.953 60 H GLY 10 H GLY 10 1.890 2.818 3.891 61 HA2 GLY 10 1HA GLY 10 3.071 3.785 1.937 62 HA3 GLY 10 2HA GLY 10 3.073 2.166 1.222 63 H VAL 11 H VAL 11 0.253 1.986 2.615 64 HA VAL 11 HA VAL 11 -1.908 2.518 2.293 65 HB VAL 11 HB VAL 11 -0.979 5.162 1.118 66 HG11 VAL 11 1HG1 VAL 11 -3.128 5.961 2.110 67 HG12 VAL 11 2HG1 VAL 11 -3.361 4.769 0.823 68 HG13 VAL 11 3HG1 VAL 11 -3.532 4.280 2.528 69 HG21 VAL 11 1HG2 VAL 11 0.139 4.890 3.249 70 HG22 VAL 11 2HG2 VAL 11 -1.225 5.997 3.476 71 HG23 VAL 11 3HG2 VAL 11 -1.359 4.307 4.015 72 H ARG 12 H ARG 12 -1.883 0.785 0.818 73 HA ARG 12 HA ARG 12 -3.080 1.583 -1.733 74 HB2 ARG 12 1HB ARG 12 -0.772 1.323 -2.411 75 HB3 ARG 12 2HB ARG 12 -0.635 -0.191 -1.519 76 HG2 ARG 12 1HG ARG 12 -0.754 -0.700 -3.854 77 HG3 ARG 12 2HG ARG 12 -2.239 -1.261 -3.080 78 HD2 ARG 12 1HD ARG 12 -3.434 0.718 -3.885 79 HD3 ARG 12 2HD ARG 12 -1.950 1.333 -4.624 80 HE ARG 12 HE ARG 12 -2.315 -1.202 -5.712 81 HH11 ARG 12 1HH1 ARG 12 -4.265 1.742 -5.613 82 HH12 ARG 12 2HH1 ARG 12 -5.041 1.373 -7.147 83 HH21 ARG 12 1HH2 ARG 12 -3.366 -1.611 -7.615 84 HH22 ARG 12 2HH2 ARG 12 -4.545 -0.476 -8.251 85 H CYS 13 H CYS 13 -4.911 0.474 -1.960 86 HA CYS 13 HA CYS 13 -5.535 -1.927 -0.521 87 HB2 CYS 13 1HB CYS 13 -7.223 -0.396 -1.562 88 HB3 CYS 13 2HB CYS 13 -6.673 -0.929 -3.160 89 H LEU 14 H LEU 14 -4.160 -3.602 -0.685 90 HA LEU 14 HA LEU 14 -3.348 -4.478 -3.417 91 HB2 LEU 14 1HB LEU 14 -1.732 -3.627 -1.493 92 HB3 LEU 14 2HB LEU 14 -1.939 -5.244 -0.870 93 HG LEU 14 HG LEU 14 0.126 -5.007 -2.051 94 HD11 LEU 14 1HD1 LEU 14 0.002 -6.887 -3.594 95 HD12 LEU 14 2HD1 LEU 14 -0.969 -7.201 -2.143 96 HD13 LEU 14 3HD1 LEU 14 -1.768 -6.742 -3.667 97 HD21 LEU 14 1HD2 LEU 14 -0.555 -3.209 -3.605 98 HD22 LEU 14 2HD2 LEU 14 0.295 -4.540 -4.418 99 HD23 LEU 14 3HD2 LEU 14 -1.471 -4.402 -4.560 100 H ILE 15 H ILE 15 -4.150 -5.689 -0.130 101 HA ILE 15 HA ILE 15 -5.328 -8.094 -1.444 102 HB ILE 15 HB ILE 15 -4.046 -7.992 1.320 103 HG12 ILE 15 1HG1 ILE 15 -3.036 -9.291 -1.232 104 HG13 ILE 15 2HG1 ILE 15 -2.400 -7.803 -0.538 105 HG21 ILE 15 1HG2 ILE 15 -5.920 -9.572 1.127 106 HG22 ILE 15 2HG2 ILE 15 -5.184 -10.298 -0.319 107 HG23 ILE 15 3HG2 ILE 15 -4.388 -10.447 1.267 108 HD11 ILE 15 1HD1 ILE 15 -1.767 -9.056 1.518 109 HD12 ILE 15 2HD1 ILE 15 -2.230 -10.560 0.684 110 HD13 ILE 15 3HD1 ILE 15 -0.911 -9.557 0.043 111 H TRP 16 H TRP 16 -7.423 -8.007 -1.309 112 HA TRP 16 HA TRP 16 -9.451 -6.982 -0.730 113 HB2 TRP 16 1HB TRP 16 -9.274 -8.711 1.688 114 HB3 TRP 16 2HB TRP 16 -10.537 -8.572 0.467 115 HD1 TRP 16 HD1 TRP 16 -8.030 -10.921 1.613 116 HE1 TRP 16 HE1 TRP 16 -7.386 -12.688 -0.115 117 HE3 TRP 16 HE3 TRP 16 -10.123 -8.703 -2.475 118 HZ2 TRP 16 HZ2 TRP 16 -7.625 -12.997 -2.931 119 HZ3 TRP 16 HZ3 TRP 16 -9.872 -9.795 -4.682 120 HH2 TRP 16 HH2 TRP 16 -8.626 -11.919 -4.904 121 H CYS 17 H CYS 17 -8.685 -4.791 -0.244 122 HA CYS 17 HA CYS 17 -8.204 -4.087 2.518 123 HB2 CYS 17 1HB CYS 17 -8.259 -1.782 1.678 124 HB3 CYS 17 2HB CYS 17 -7.230 -2.826 0.682 125 H ASP 18 H ASP 18 -9.455 -2.525 3.751 126 HA ASP 18 HA ASP 18 -12.362 -2.896 3.554 127 HB2 ASP 18 1HB ASP 18 -11.232 -2.725 5.795 128 HB3 ASP 18 2HB ASP 18 -10.764 -1.063 5.402 129 HC ASP 18 HC ASP 18 -12.932 -0.780 2.510 Start of MODEL 5 1 H1 GLY 1 H GLY 1 2.341 -0.243 0.380 2 HA2 GLY 1 1HA GLY 1 2.922 -1.231 -2.158 3 HA3 GLY 1 2HA GLY 1 1.232 -0.696 -2.240 4 H SER 2 H SER 2 1.981 0.969 -3.778 5 HA SER 2 HA SER 2 2.881 3.362 -2.291 6 HB2 SER 2 1HB SER 2 4.835 2.027 -3.354 7 HB3 SER 2 2HB SER 2 4.227 2.659 -4.896 8 HG SER 2 HG SER 2 4.340 4.783 -3.808 9 H ARG 3 H ARG 3 1.077 1.985 -4.862 10 HA ARG 3 HA ARG 3 0.820 4.486 -6.341 11 HB2 ARG 3 1HB ARG 3 -0.718 1.906 -6.765 12 HB3 ARG 3 2HB ARG 3 -0.457 3.214 -7.921 13 HG2 ARG 3 1HG ARG 3 1.580 1.219 -6.880 14 HG3 ARG 3 2HG ARG 3 0.906 1.336 -8.507 15 HD2 ARG 3 1HD ARG 3 1.931 3.782 -8.399 16 HD3 ARG 3 2HD ARG 3 2.951 3.064 -7.151 17 HE ARG 3 HE ARG 3 4.039 1.778 -8.752 18 HH11 ARG 3 1HH1 ARG 3 1.245 3.324 -10.280 19 HH12 ARG 3 2HH1 ARG 3 1.772 2.852 -11.887 20 HH21 ARG 3 1HH2 ARG 3 4.648 1.266 -10.809 21 HH22 ARG 3 2HH2 ARG 3 3.652 1.724 -12.180 22 H GLY 4 H GLY 4 -2.185 3.010 -6.494 23 HA2 GLY 4 1HA GLY 4 -3.474 5.279 -5.283 24 HA3 GLY 4 2HA GLY 4 -4.263 3.783 -5.832 25 H TRP 5 H TRP 5 -5.426 4.618 -3.648 26 HA TRP 5 HA TRP 5 -3.781 4.116 -1.298 27 HB2 TRP 5 1HB TRP 5 -6.613 5.082 -1.174 28 HB3 TRP 5 2HB TRP 5 -5.227 5.532 -0.182 29 HD1 TRP 5 HD1 TRP 5 -7.349 6.959 -2.752 30 HE1 TRP 5 HE1 TRP 5 -6.294 8.954 -3.944 31 HE3 TRP 5 HE3 TRP 5 -2.517 6.125 -1.377 32 HZ2 TRP 5 HZ2 TRP 5 -3.688 10.087 -4.175 33 HZ3 TRP 5 HZ3 TRP 5 -0.769 7.714 -2.121 34 HH2 TRP 5 HH2 TRP 5 -1.360 9.684 -3.495 35 H GLY 6 H GLY 6 -4.376 2.975 0.594 36 HA2 GLY 6 1HA GLY 6 -6.838 1.931 1.179 37 HA3 GLY 6 2HA GLY 6 -6.093 0.666 0.216 38 H PHE 7 H PHE 7 -4.674 -0.707 1.108 39 HA PHE 7 HA PHE 7 -4.291 -0.524 4.059 40 HB2 PHE 7 1HB PHE 7 -5.068 -2.610 2.111 41 HB3 PHE 7 2HB PHE 7 -3.819 -3.147 3.226 42 HD1 PHE 7 HD1 PHE 7 -6.762 -0.879 3.725 43 HD2 PHE 7 HD2 PHE 7 -4.821 -4.535 4.789 44 HE1 PHE 7 HE1 PHE 7 -8.452 -1.263 5.481 45 HE2 PHE 7 HE2 PHE 7 -6.543 -4.956 6.500 46 HZ PHE 7 HZ PHE 7 -8.363 -3.320 6.854 47 H GLU 8 H GLU 8 -2.257 -2.350 4.422 48 HA GLU 8 HA GLU 8 -0.009 -2.716 4.256 49 HB2 GLU 8 1HB GLU 8 -0.236 -3.537 2.049 50 HB3 GLU 8 2HB GLU 8 -0.728 -1.988 1.404 51 HG2 GLU 8 1HG GLU 8 1.759 -1.248 2.055 52 HG3 GLU 8 2HG GLU 8 2.064 -2.982 1.944 53 HA PRO 9 HA PRO 9 1.788 1.201 5.331 54 HB2 PRO 9 1HB PRO 9 4.453 0.497 5.355 55 HB3 PRO 9 2HB PRO 9 3.313 0.044 6.664 56 HG2 PRO 9 1HG PRO 9 4.219 -1.585 4.294 57 HG3 PRO 9 2HG PRO 9 4.141 -2.055 6.021 58 HD2 PRO 9 1HD PRO 9 2.213 -2.756 4.281 59 HD3 PRO 9 2HD PRO 9 1.806 -2.290 5.968 60 H GLY 10 H GLY 10 1.935 2.829 3.928 61 HA2 GLY 10 1HA GLY 10 2.960 3.930 2.019 62 HA3 GLY 10 2HA GLY 10 3.215 2.345 1.274 63 H VAL 11 H VAL 11 0.335 1.823 2.528 64 HA VAL 11 HA VAL 11 -1.840 2.256 2.210 65 HB VAL 11 HB VAL 11 -1.026 4.970 1.115 66 HG11 VAL 11 1HG1 VAL 11 -3.559 3.920 2.443 67 HG12 VAL 11 2HG1 VAL 11 -3.226 5.636 2.108 68 HG13 VAL 11 3HG1 VAL 11 -3.377 4.492 0.765 69 HG21 VAL 11 1HG2 VAL 11 -1.420 4.013 3.978 70 HG22 VAL 11 2HG2 VAL 11 0.071 4.670 3.260 71 HG23 VAL 11 3HG2 VAL 11 -1.337 5.721 3.490 72 H ARG 12 H ARG 12 -1.930 0.598 0.725 73 HA ARG 12 HA ARG 12 -3.102 1.459 -1.831 74 HB2 ARG 12 1HB ARG 12 -0.788 1.001 -2.461 75 HB3 ARG 12 2HB ARG 12 -0.830 -0.533 -1.587 76 HG2 ARG 12 1HG ARG 12 -0.980 -1.064 -3.884 77 HG3 ARG 12 2HG ARG 12 -2.573 -1.352 -3.185 78 HD2 ARG 12 1HD ARG 12 -3.284 0.900 -4.026 79 HD3 ARG 12 2HD ARG 12 -1.730 1.040 -4.851 80 HE ARG 12 HE ARG 12 -4.047 -0.557 -5.608 81 HH11 ARG 12 1HH1 ARG 12 -0.543 -0.355 -6.036 82 HH12 ARG 12 2HH1 ARG 12 -0.613 -1.221 -7.565 83 HH21 ARG 12 1HH2 ARG 12 -4.037 -1.663 -7.497 84 HH22 ARG 12 2HH2 ARG 12 -2.539 -1.962 -8.362 85 H CYS 13 H CYS 13 -4.926 0.302 -2.253 86 HA CYS 13 HA CYS 13 -5.687 -1.960 -0.613 87 HB2 CYS 13 1HB CYS 13 -7.277 -0.375 -1.768 88 HB3 CYS 13 2HB CYS 13 -6.810 -1.122 -3.307 89 H LEU 14 H LEU 14 -3.880 -3.332 -0.759 90 HA LEU 14 HA LEU 14 -3.254 -4.501 -3.396 91 HB2 LEU 14 1HB LEU 14 -1.683 -3.652 -1.411 92 HB3 LEU 14 2HB LEU 14 -1.945 -5.265 -0.801 93 HG LEU 14 HG LEU 14 0.163 -5.094 -1.900 94 HD11 LEU 14 1HD1 LEU 14 -1.021 -7.243 -2.089 95 HD12 LEU 14 2HD1 LEU 14 -1.710 -6.722 -3.644 96 HD13 LEU 14 3HD1 LEU 14 0.045 -6.939 -3.474 97 HD21 LEU 14 1HD2 LEU 14 -0.347 -3.247 -3.431 98 HD22 LEU 14 2HD2 LEU 14 0.423 -4.609 -4.270 99 HD23 LEU 14 3HD2 LEU 14 -1.327 -4.344 -4.438 100 H ILE 15 H ILE 15 -4.223 -5.569 -0.110 101 HA ILE 15 HA ILE 15 -5.396 -8.007 -1.366 102 HB ILE 15 HB ILE 15 -4.151 -7.838 1.413 103 HG12 ILE 15 1HG1 ILE 15 -3.124 -9.230 -1.081 104 HG13 ILE 15 2HG1 ILE 15 -2.470 -7.735 -0.418 105 HG21 ILE 15 1HG2 ILE 15 -6.048 -9.392 1.244 106 HG22 ILE 15 2HG2 ILE 15 -5.304 -10.177 -0.166 107 HG23 ILE 15 3HG2 ILE 15 -4.533 -10.286 1.435 108 HD11 ILE 15 1HD1 ILE 15 -2.371 -10.464 0.873 109 HD12 ILE 15 2HD1 ILE 15 -1.024 -9.493 0.243 110 HD13 ILE 15 3HD1 ILE 15 -1.905 -8.950 1.688 111 H TRP 16 H TRP 16 -7.497 -7.935 -1.217 112 HA TRP 16 HA TRP 16 -9.486 -6.755 -0.715 113 HB2 TRP 16 1HB TRP 16 -9.523 -8.463 1.706 114 HB3 TRP 16 2HB TRP 16 -10.664 -8.329 0.370 115 HD1 TRP 16 HD1 TRP 16 -8.237 -10.654 1.793 116 HE1 TRP 16 HE1 TRP 16 -7.558 -12.521 0.190 117 HE3 TRP 16 HE3 TRP 16 -10.131 -8.631 -2.488 118 HZ2 TRP 16 HZ2 TRP 16 -7.717 -12.995 -2.610 119 HZ3 TRP 16 HZ3 TRP 16 -9.839 -9.859 -4.617 120 HH2 TRP 16 HH2 TRP 16 -8.639 -12.020 -4.672 121 H CYS 17 H CYS 17 -8.765 -4.594 -0.203 122 HA CYS 17 HA CYS 17 -8.237 -3.926 2.560 123 HB2 CYS 17 1HB CYS 17 -8.279 -1.613 1.774 124 HB3 CYS 17 2HB CYS 17 -7.285 -2.640 0.734 125 H ASP 18 H ASP 18 -9.470 -2.339 3.781 126 HA ASP 18 HA ASP 18 -11.759 -2.856 4.882 127 HB2 ASP 18 1HB ASP 18 -10.671 -0.663 5.210 128 HB3 ASP 18 2HB ASP 18 -11.251 -0.114 3.633 129 HC ASP 18 HC ASP 18 -12.867 -2.135 2.102 Start of MODEL 6 1 H1 GLY 1 H GLY 1 2.147 -0.334 0.178 2 HA2 GLY 1 1HA GLY 1 3.155 -1.227 -2.256 3 HA3 GLY 1 2HA GLY 1 1.428 -0.908 -2.553 4 H SER 2 H SER 2 2.169 0.883 -3.967 5 HA SER 2 HA SER 2 2.664 3.308 -2.321 6 HB2 SER 2 1HB SER 2 4.771 2.175 -3.365 7 HB3 SER 2 2HB SER 2 4.194 2.890 -4.880 8 HG SER 2 HG SER 2 4.093 4.912 -3.592 9 H ARG 3 H ARG 3 1.139 1.904 -5.081 10 HA ARG 3 HA ARG 3 0.988 4.373 -6.564 11 HB2 ARG 3 1HB ARG 3 -0.620 1.870 -7.113 12 HB3 ARG 3 2HB ARG 3 -0.157 3.140 -8.239 13 HG2 ARG 3 1HG ARG 3 1.629 1.040 -6.968 14 HG3 ARG 3 2HG ARG 3 1.161 1.188 -8.665 15 HD2 ARG 3 1HD ARG 3 2.285 3.581 -8.389 16 HD3 ARG 3 2HD ARG 3 3.158 2.769 -7.085 17 HE ARG 3 HE ARG 3 3.506 1.002 -9.090 18 HH11 ARG 3 1HH1 ARG 3 3.889 4.523 -9.134 19 HH12 ARG 3 2HH1 ARG 3 5.085 4.448 -10.415 20 HH21 ARG 3 1HH2 ARG 3 5.034 0.999 -10.677 21 HH22 ARG 3 2HH2 ARG 3 5.736 2.503 -11.251 22 H GLY 4 H GLY 4 -1.940 2.457 -5.892 23 HA2 GLY 4 1HA GLY 4 -3.360 5.023 -5.496 24 HA3 GLY 4 2HA GLY 4 -4.107 3.422 -5.704 25 H TRP 5 H TRP 5 -5.380 4.298 -3.725 26 HA TRP 5 HA TRP 5 -3.767 4.268 -1.262 27 HB2 TRP 5 1HB TRP 5 -6.667 5.006 -1.350 28 HB3 TRP 5 2HB TRP 5 -5.371 5.636 -0.332 29 HD1 TRP 5 HD1 TRP 5 -7.447 6.684 -3.127 30 HE1 TRP 5 HE1 TRP 5 -6.486 8.679 -4.392 31 HE3 TRP 5 HE3 TRP 5 -2.662 6.360 -1.422 32 HZ2 TRP 5 HZ2 TRP 5 -3.982 10.036 -4.527 33 HZ3 TRP 5 HZ3 TRP 5 -1.009 8.053 -2.159 34 HH2 TRP 5 HH2 TRP 5 -1.673 9.875 -3.694 35 H GLY 6 H GLY 6 -4.371 3.206 0.680 36 HA2 GLY 6 1HA GLY 6 -6.700 2.164 1.431 37 HA3 GLY 6 2HA GLY 6 -6.144 0.880 0.364 38 H PHE 7 H PHE 7 -5.496 -0.777 1.507 39 HA PHE 7 HA PHE 7 -4.433 -0.574 4.210 40 HB2 PHE 7 1HB PHE 7 -5.183 -2.680 2.225 41 HB3 PHE 7 2HB PHE 7 -3.969 -3.148 3.404 42 HD1 PHE 7 HD1 PHE 7 -6.861 -0.844 4.037 43 HD2 PHE 7 HD2 PHE 7 -5.135 -4.705 4.673 44 HE1 PHE 7 HE1 PHE 7 -8.585 -1.336 5.718 45 HE2 PHE 7 HE2 PHE 7 -6.902 -5.225 6.307 46 HZ PHE 7 HZ PHE 7 -8.627 -3.536 6.848 47 H GLU 8 H GLU 8 -2.315 -2.508 4.080 48 HA GLU 8 HA GLU 8 -0.093 -2.740 3.665 49 HB2 GLU 8 1HB GLU 8 -0.907 -2.757 1.231 50 HB3 GLU 8 2HB GLU 8 -0.507 -1.046 1.164 51 HG2 GLU 8 1HG GLU 8 1.882 -1.666 1.850 52 HG3 GLU 8 2HG GLU 8 1.432 -3.361 1.640 53 HA PRO 9 HA PRO 9 1.651 1.076 5.296 54 HB2 PRO 9 1HB PRO 9 4.284 0.253 5.392 55 HB3 PRO 9 2HB PRO 9 3.071 -0.215 6.627 56 HG2 PRO 9 1HG PRO 9 4.025 -1.761 4.225 57 HG3 PRO 9 2HG PRO 9 3.820 -2.314 5.915 58 HD2 PRO 9 1HD PRO 9 1.983 -2.820 4.007 59 HD3 PRO 9 2HD PRO 9 1.495 -2.471 5.701 60 H GLY 10 H GLY 10 1.971 2.774 3.998 61 HA2 GLY 10 1HA GLY 10 3.091 3.829 2.072 62 HA3 GLY 10 2HA GLY 10 3.052 2.259 1.259 63 H VAL 11 H VAL 11 0.265 2.059 2.723 64 HA VAL 11 HA VAL 11 -1.909 2.525 2.370 65 HB VAL 11 HB VAL 11 -1.043 5.225 1.274 66 HG11 VAL 11 1HG1 VAL 11 -3.246 5.932 2.212 67 HG12 VAL 11 2HG1 VAL 11 -3.402 4.753 0.902 68 HG13 VAL 11 3HG1 VAL 11 -3.603 4.234 2.594 69 HG21 VAL 11 1HG2 VAL 11 -1.474 4.304 4.142 70 HG22 VAL 11 2HG2 VAL 11 0.028 4.939 3.429 71 HG23 VAL 11 3HG2 VAL 11 -1.370 6.006 3.636 72 H ARG 12 H ARG 12 -1.848 0.848 0.851 73 HA ARG 12 HA ARG 12 -2.996 1.667 -1.725 74 HB2 ARG 12 1HB ARG 12 -0.714 1.437 -2.407 75 HB3 ARG 12 2HB ARG 12 -0.505 -0.020 -1.438 76 HG2 ARG 12 1HG ARG 12 -0.586 -0.563 -3.799 77 HG3 ARG 12 2HG ARG 12 -1.945 -1.294 -2.939 78 HD2 ARG 12 1HD ARG 12 -3.495 -0.077 -4.064 79 HD3 ARG 12 2HD ARG 12 -2.489 1.371 -4.083 80 HE ARG 12 HE ARG 12 -1.556 0.738 -6.114 81 HH11 ARG 12 1HH1 ARG 12 -3.591 -1.948 -4.960 82 HH12 ARG 12 2HH1 ARG 12 -3.512 -2.743 -6.518 83 HH21 ARG 12 1HH2 ARG 12 -1.595 -0.306 -8.035 84 HH22 ARG 12 2HH2 ARG 12 -2.424 -1.846 -8.203 85 H CYS 13 H CYS 13 -4.896 0.550 -1.779 86 HA CYS 13 HA CYS 13 -5.393 -1.865 -0.318 87 HB2 CYS 13 1HB CYS 13 -7.181 -0.379 -1.250 88 HB3 CYS 13 2HB CYS 13 -6.695 -0.859 -2.881 89 H LEU 14 H LEU 14 -4.306 -3.720 -0.607 90 HA LEU 14 HA LEU 14 -3.446 -4.425 -3.376 91 HB2 LEU 14 1HB LEU 14 -1.757 -3.627 -1.547 92 HB3 LEU 14 2HB LEU 14 -1.995 -5.206 -0.844 93 HG LEU 14 HG LEU 14 0.053 -5.050 -2.089 94 HD11 LEU 14 1HD1 LEU 14 -1.903 -6.881 -3.512 95 HD12 LEU 14 2HD1 LEU 14 -0.132 -7.023 -3.510 96 HD13 LEU 14 3HD1 LEU 14 -1.034 -7.238 -1.999 97 HD21 LEU 14 1HD2 LEU 14 -1.610 -4.622 -4.592 98 HD22 LEU 14 2HD2 LEU 14 -0.685 -3.357 -3.746 99 HD23 LEU 14 3HD2 LEU 14 0.159 -4.736 -4.479 100 H ILE 15 H ILE 15 -4.089 -5.781 -0.111 101 HA ILE 15 HA ILE 15 -5.363 -8.123 -1.459 102 HB ILE 15 HB ILE 15 -4.162 -8.028 1.342 103 HG12 ILE 15 1HG1 ILE 15 -3.088 -9.363 -1.163 104 HG13 ILE 15 2HG1 ILE 15 -2.451 -7.882 -0.457 105 HG21 ILE 15 1HG2 ILE 15 -5.273 -10.332 -0.317 106 HG22 ILE 15 2HG2 ILE 15 -4.556 -10.468 1.307 107 HG23 ILE 15 3HG2 ILE 15 -6.064 -9.572 1.082 108 HD11 ILE 15 1HD1 ILE 15 -2.375 -10.637 0.781 109 HD12 ILE 15 2HD1 ILE 15 -1.015 -9.657 0.194 110 HD13 ILE 15 3HD1 ILE 15 -1.922 -9.139 1.633 111 H TRP 16 H TRP 16 -7.468 -8.019 -1.339 112 HA TRP 16 HA TRP 16 -9.428 -6.774 -0.817 113 HB2 TRP 16 1HB TRP 16 -9.699 -8.610 1.455 114 HB3 TRP 16 2HB TRP 16 -10.665 -8.423 -0.003 115 HD1 TRP 16 HD1 TRP 16 -8.396 -10.795 1.622 116 HE1 TRP 16 HE1 TRP 16 -7.570 -12.632 0.052 117 HE3 TRP 16 HE3 TRP 16 -9.866 -8.674 -2.777 118 HZ2 TRP 16 HZ2 TRP 16 -7.458 -13.044 -2.760 119 HZ3 TRP 16 HZ3 TRP 16 -9.363 -9.854 -4.895 120 HH2 TRP 16 HH2 TRP 16 -8.165 -12.016 -4.881 121 H CYS 17 H CYS 17 -8.746 -4.691 -0.146 122 HA CYS 17 HA CYS 17 -8.258 -4.150 2.648 123 HB2 CYS 17 1HB CYS 17 -8.486 -1.783 1.943 124 HB3 CYS 17 2HB CYS 17 -7.330 -2.715 0.984 125 H ASP 18 H ASP 18 -9.557 -2.583 3.884 126 HA ASP 18 HA ASP 18 -11.687 -3.288 5.106 127 HB2 ASP 18 1HB ASP 18 -10.794 -0.932 5.165 128 HB3 ASP 18 2HB ASP 18 -11.773 -0.562 3.740 129 HC ASP 18 HC ASP 18 -13.249 -4.082 3.326 Start of MODEL 7 1 H1 GLY 1 H GLY 1 2.472 -0.054 0.177 2 HA2 GLY 1 1HA GLY 1 3.230 -0.987 -2.257 3 HA3 GLY 1 2HA GLY 1 1.462 -1.171 -2.333 4 H SER 2 H SER 2 1.898 0.537 -4.157 5 HA SER 2 HA SER 2 1.611 3.219 -2.907 6 HB2 SER 2 1HB SER 2 3.559 2.490 -5.106 7 HB3 SER 2 2HB SER 2 3.252 4.124 -4.486 8 HG SER 2 HG SER 2 5.030 3.320 -3.411 9 H ARG 3 H ARG 3 0.066 1.205 -4.900 10 HA ARG 3 HA ARG 3 -0.600 3.163 -6.968 11 HB2 ARG 3 1HB ARG 3 -1.960 0.511 -6.390 12 HB3 ARG 3 2HB ARG 3 -2.081 1.479 -7.858 13 HG2 ARG 3 1HG ARG 3 0.331 -0.060 -6.846 14 HG3 ARG 3 2HG ARG 3 -0.664 -0.408 -8.263 15 HD2 ARG 3 1HD ARG 3 0.066 1.973 -9.053 16 HD3 ARG 3 2HD ARG 3 1.329 1.811 -7.833 17 HE ARG 3 HE ARG 3 2.388 0.171 -9.103 18 HH11 ARG 3 1HH1 ARG 3 -0.707 0.953 -10.637 19 HH12 ARG 3 2HH1 ARG 3 -0.280 0.080 -12.099 20 HH21 ARG 3 1HH2 ARG 3 2.832 -0.906 -10.969 21 HH22 ARG 3 2HH2 ARG 3 1.666 -0.950 -12.281 22 H GLY 4 H GLY 4 -3.215 1.380 -5.396 23 HA2 GLY 4 1HA GLY 4 -4.591 3.958 -5.018 24 HA3 GLY 4 2HA GLY 4 -5.299 2.339 -4.833 25 H TRP 5 H TRP 5 -6.178 3.390 -2.787 26 HA TRP 5 HA TRP 5 -4.117 3.668 -0.692 27 HB2 TRP 5 1HB TRP 5 -7.037 4.372 -0.433 28 HB3 TRP 5 2HB TRP 5 -5.659 5.019 0.463 29 HD1 TRP 5 HD1 TRP 5 -7.911 5.926 -2.276 30 HE1 TRP 5 HE1 TRP 5 -7.037 7.868 -3.680 31 HE3 TRP 5 HE3 TRP 5 -3.046 5.711 -0.815 32 HZ2 TRP 5 HZ2 TRP 5 -4.561 9.255 -3.982 33 HZ3 TRP 5 HZ3 TRP 5 -1.452 7.401 -1.684 34 HH2 TRP 5 HH2 TRP 5 -2.214 9.159 -3.249 35 H GLY 6 H GLY 6 -4.267 2.780 1.378 36 HA2 GLY 6 1HA GLY 6 -6.370 1.506 2.581 37 HA3 GLY 6 2HA GLY 6 -5.655 0.240 1.577 38 H PHE 7 H PHE 7 -4.828 -1.070 3.097 39 HA PHE 7 HA PHE 7 -3.237 -0.157 5.332 40 HB2 PHE 7 1HB PHE 7 -3.700 -2.844 4.010 41 HB3 PHE 7 2HB PHE 7 -2.632 -2.654 5.401 42 HD1 PHE 7 HD1 PHE 7 -6.140 -2.196 4.294 43 HD2 PHE 7 HD2 PHE 7 -3.460 -2.476 7.602 44 HE1 PHE 7 HE1 PHE 7 -8.066 -2.435 5.823 45 HE2 PHE 7 HE2 PHE 7 -5.373 -2.694 9.143 46 HZ PHE 7 HZ PHE 7 -7.683 -2.696 8.254 47 H GLU 8 H GLU 8 -0.993 -1.962 5.103 48 HA GLU 8 HA GLU 8 1.124 -2.105 4.293 49 HB2 GLU 8 1HB GLU 8 -0.075 -2.660 2.106 50 HB3 GLU 8 2HB GLU 8 0.040 -0.954 1.687 51 HG2 GLU 8 1HG GLU 8 2.592 -1.167 1.986 52 HG3 GLU 8 2HG GLU 8 2.349 -2.915 2.040 53 HA PRO 9 HA PRO 9 2.692 2.038 4.968 54 HB2 PRO 9 1HB PRO 9 5.371 1.490 4.566 55 HB3 PRO 9 2HB PRO 9 4.512 1.089 6.088 56 HG2 PRO 9 1HG PRO 9 5.104 -0.684 3.724 57 HG3 PRO 9 2HG PRO 9 5.355 -1.009 5.468 58 HD2 PRO 9 1HD PRO 9 3.217 -1.962 4.149 59 HD3 PRO 9 2HD PRO 9 3.068 -1.377 5.842 60 H GLY 10 H GLY 10 2.747 3.640 3.495 61 HA2 GLY 10 1HA GLY 10 3.265 4.553 1.308 62 HA3 GLY 10 2HA GLY 10 3.268 2.910 0.645 63 H VAL 11 H VAL 11 0.840 2.597 2.641 64 HA VAL 11 HA VAL 11 -1.411 2.748 2.639 65 HB VAL 11 HB VAL 11 -1.152 5.357 1.098 66 HG11 VAL 11 1HG1 VAL 11 -3.248 5.909 2.275 67 HG12 VAL 11 2HG1 VAL 11 -3.438 4.456 1.277 68 HG13 VAL 11 3HG1 VAL 11 -3.250 4.304 3.040 69 HG21 VAL 11 1HG2 VAL 11 0.309 5.523 3.026 70 HG22 VAL 11 2HG2 VAL 11 -1.178 6.423 3.368 71 HG23 VAL 11 3HG2 VAL 11 -0.934 4.813 4.084 72 H ARG 12 H ARG 12 -1.409 0.904 1.351 73 HA ARG 12 HA ARG 12 -2.958 1.217 -1.124 74 HB2 ARG 12 1HB ARG 12 -0.377 1.211 -1.589 75 HB3 ARG 12 2HB ARG 12 -0.490 -0.509 -1.221 76 HG2 ARG 12 1HG ARG 12 -1.915 0.979 -3.439 77 HG3 ARG 12 2HG ARG 12 -0.528 -0.096 -3.609 78 HD2 ARG 12 1HD ARG 12 -2.010 -1.948 -2.677 79 HD3 ARG 12 2HD ARG 12 -3.368 -0.828 -2.904 80 HE ARG 12 HE ARG 12 -1.801 -0.972 -5.296 81 HH11 ARG 12 1HH1 ARG 12 -4.117 -2.973 -3.490 82 HH12 ARG 12 2HH1 ARG 12 -4.773 -3.654 -4.963 83 HH21 ARG 12 1HH2 ARG 12 -2.563 -2.018 -7.064 84 HH22 ARG 12 2HH2 ARG 12 -3.850 -3.206 -6.920 85 H CYS 13 H CYS 13 -4.622 -0.206 -0.760 86 HA CYS 13 HA CYS 13 -4.514 -2.197 1.268 87 HB2 CYS 13 1HB CYS 13 -6.416 -1.220 -0.657 88 HB3 CYS 13 2HB CYS 13 -6.380 -2.980 -0.749 89 H LEU 14 H LEU 14 -3.560 -4.141 1.332 90 HA LEU 14 HA LEU 14 -2.375 -5.340 -1.024 91 HB2 LEU 14 1HB LEU 14 -1.951 -5.495 1.649 92 HB3 LEU 14 2HB LEU 14 -2.945 -6.922 1.444 93 HG LEU 14 HG LEU 14 -0.597 -7.444 1.517 94 HD11 LEU 14 1HD1 LEU 14 -1.639 -7.920 -1.290 95 HD12 LEU 14 2HD1 LEU 14 -0.424 -8.877 -0.416 96 HD13 LEU 14 3HD1 LEU 14 -2.109 -8.856 0.146 97 HD21 LEU 14 1HD2 LEU 14 -0.248 -5.884 -1.060 98 HD22 LEU 14 2HD2 LEU 14 0.255 -5.319 0.548 99 HD23 LEU 14 3HD2 LEU 14 0.995 -6.771 -0.155 100 H ILE 15 H ILE 15 -5.347 -5.698 0.805 101 HA ILE 15 HA ILE 15 -6.246 -8.051 -0.671 102 HB ILE 15 HB ILE 15 -8.342 -6.457 0.668 103 HG12 ILE 15 1HG1 ILE 15 -6.139 -7.677 2.361 104 HG13 ILE 15 2HG1 ILE 15 -6.409 -5.940 2.154 105 HG21 ILE 15 1HG2 ILE 15 -8.537 -8.813 -0.201 106 HG22 ILE 15 2HG2 ILE 15 -7.414 -9.327 1.075 107 HG23 ILE 15 3HG2 ILE 15 -8.996 -8.633 1.499 108 HD11 ILE 15 1HD1 ILE 15 -8.249 -7.900 3.529 109 HD12 ILE 15 2HD1 ILE 15 -7.333 -6.558 4.245 110 HD13 ILE 15 3HD1 ILE 15 -8.683 -6.216 3.142 111 H TRP 16 H TRP 16 -8.665 -7.700 -1.626 112 HA TRP 16 HA TRP 16 -8.223 -6.264 -4.020 113 HB2 TRP 16 1HB TRP 16 -11.021 -6.740 -3.638 114 HB3 TRP 16 2HB TRP 16 -9.883 -7.548 -4.712 115 HD1 TRP 16 HD1 TRP 16 -11.889 -8.109 -1.579 116 HE1 TRP 16 HE1 TRP 16 -11.510 -10.455 -0.640 117 HE3 TRP 16 HE3 TRP 16 -7.858 -9.368 -4.435 118 HZ2 TRP 16 HZ2 TRP 16 -9.657 -12.574 -1.061 119 HZ3 TRP 16 HZ3 TRP 16 -6.808 -11.587 -4.107 120 HH2 TRP 16 HH2 TRP 16 -7.704 -13.170 -2.432 121 H CYS 17 H CYS 17 -9.023 -4.887 -1.086 122 HA CYS 17 HA CYS 17 -10.845 -2.832 -1.990 123 HB2 CYS 17 1HB CYS 17 -9.747 -1.649 0.091 124 HB3 CYS 17 2HB CYS 17 -10.844 -3.012 0.300 125 H ASP 18 H ASP 18 -10.223 -0.501 -2.128 126 HA ASP 18 HA ASP 18 -8.504 -0.069 -4.280 127 HB2 ASP 18 1HB ASP 18 -10.181 1.602 -3.416 128 HB3 ASP 18 2HB ASP 18 -9.098 1.946 -2.059 129 HC ASP 18 HC ASP 18 -6.756 0.019 -1.778 Start of MODEL 8 1 H1 GLY 1 H GLY 1 2.545 -0.039 0.244 2 HA2 GLY 1 1HA GLY 1 3.304 -0.864 -2.209 3 HA3 GLY 1 2HA GLY 1 1.550 -1.127 -2.298 4 H SER 2 H SER 2 1.855 0.620 -4.096 5 HA SER 2 HA SER 2 1.319 3.226 -2.816 6 HB2 SER 2 1HB SER 2 3.545 2.771 -4.815 7 HB3 SER 2 2HB SER 2 3.011 4.346 -4.193 8 HG SER 2 HG SER 2 3.412 3.071 -2.044 9 H ARG 3 H ARG 3 0.026 1.240 -4.926 10 HA ARG 3 HA ARG 3 -0.586 3.226 -6.990 11 HB2 ARG 3 1HB ARG 3 -1.876 0.514 -6.540 12 HB3 ARG 3 2HB ARG 3 -1.994 1.525 -7.979 13 HG2 ARG 3 1HG ARG 3 0.457 0.060 -6.947 14 HG3 ARG 3 2HG ARG 3 -0.479 -0.280 -8.409 15 HD2 ARG 3 1HD ARG 3 0.134 2.183 -9.043 16 HD3 ARG 3 2HD ARG 3 1.407 1.997 -7.833 17 HE ARG 3 HE ARG 3 1.590 -0.245 -9.505 18 HH11 ARG 3 1HH1 ARG 3 1.915 3.254 -9.912 19 HH12 ARG 3 2HH1 ARG 3 3.008 3.070 -11.274 20 HH21 ARG 3 1HH2 ARG 3 2.988 -0.387 -11.213 21 HH22 ARG 3 2HH2 ARG 3 3.617 1.065 -11.978 22 H GLY 4 H GLY 4 -3.117 1.326 -5.343 23 HA2 GLY 4 1HA GLY 4 -4.635 3.847 -5.076 24 HA3 GLY 4 2HA GLY 4 -5.263 2.205 -4.828 25 H TRP 5 H TRP 5 -6.169 3.297 -2.807 26 HA TRP 5 HA TRP 5 -4.105 3.678 -0.726 27 HB2 TRP 5 1HB TRP 5 -7.047 4.331 -0.534 28 HB3 TRP 5 2HB TRP 5 -5.713 4.987 0.422 29 HD1 TRP 5 HD1 TRP 5 -7.830 5.832 -2.470 30 HE1 TRP 5 HE1 TRP 5 -6.938 7.830 -3.781 31 HE3 TRP 5 HE3 TRP 5 -3.078 5.786 -0.671 32 HZ2 TRP 5 HZ2 TRP 5 -4.525 9.360 -3.834 33 HZ3 TRP 5 HZ3 TRP 5 -1.511 7.583 -1.357 34 HH2 TRP 5 HH2 TRP 5 -2.243 9.358 -2.917 35 H GLY 6 H GLY 6 -4.263 2.826 1.378 36 HA2 GLY 6 1HA GLY 6 -6.296 1.495 2.603 37 HA3 GLY 6 2HA GLY 6 -5.595 0.245 1.570 38 H PHE 7 H PHE 7 -4.942 -1.008 3.341 39 HA PHE 7 HA PHE 7 -3.123 -0.146 5.359 40 HB2 PHE 7 1HB PHE 7 -3.384 -2.882 4.058 41 HB3 PHE 7 2HB PHE 7 -2.735 -2.532 5.665 42 HD1 PHE 7 HD1 PHE 7 -5.485 -3.866 4.098 43 HD2 PHE 7 HD2 PHE 7 -4.531 -0.919 7.037 44 HE1 PHE 7 HE1 PHE 7 -7.722 -4.142 5.096 45 HE2 PHE 7 HE2 PHE 7 -6.744 -1.237 8.085 46 HZ PHE 7 HZ PHE 7 -8.348 -2.852 7.112 47 H GLU 8 H GLU 8 -0.956 -1.958 5.133 48 HA GLU 8 HA GLU 8 1.159 -2.130 4.320 49 HB2 GLU 8 1HB GLU 8 -0.009 -2.727 2.133 50 HB3 GLU 8 2HB GLU 8 0.068 -1.025 1.694 51 HG2 GLU 8 1HG GLU 8 2.631 -1.195 2.023 52 HG3 GLU 8 2HG GLU 8 2.404 -2.946 2.025 53 HA PRO 9 HA PRO 9 2.701 2.023 4.977 54 HB2 PRO 9 1HB PRO 9 5.384 1.504 4.548 55 HB3 PRO 9 2HB PRO 9 4.544 1.096 6.078 56 HG2 PRO 9 1HG PRO 9 5.134 -0.674 3.712 57 HG3 PRO 9 2HG PRO 9 5.400 -0.994 5.453 58 HD2 PRO 9 1HD PRO 9 3.261 -1.971 4.155 59 HD3 PRO 9 2HD PRO 9 3.118 -1.381 5.846 60 H GLY 10 H GLY 10 2.792 3.649 3.519 61 HA2 GLY 10 1HA GLY 10 3.274 4.586 1.349 62 HA3 GLY 10 2HA GLY 10 3.318 2.953 0.666 63 H VAL 11 H VAL 11 0.858 2.592 2.636 64 HA VAL 11 HA VAL 11 -1.390 2.751 2.626 65 HB VAL 11 HB VAL 11 -1.124 5.346 1.064 66 HG11 VAL 11 1HG1 VAL 11 -3.415 4.449 1.262 67 HG12 VAL 11 2HG1 VAL 11 -3.220 4.326 3.027 68 HG13 VAL 11 3HG1 VAL 11 -3.215 5.918 2.234 69 HG21 VAL 11 1HG2 VAL 11 -0.901 4.831 4.054 70 HG22 VAL 11 2HG2 VAL 11 0.341 5.527 2.985 71 HG23 VAL 11 3HG2 VAL 11 -1.143 6.433 3.321 72 H ARG 12 H ARG 12 -1.402 0.890 1.343 73 HA ARG 12 HA ARG 12 -2.960 1.212 -1.122 74 HB2 ARG 12 1HB ARG 12 -0.373 1.183 -1.595 75 HB3 ARG 12 2HB ARG 12 -0.515 -0.541 -1.259 76 HG2 ARG 12 1HG ARG 12 -1.909 1.022 -3.443 77 HG3 ARG 12 2HG ARG 12 -0.572 -0.113 -3.635 78 HD2 ARG 12 1HD ARG 12 -2.114 -1.915 -2.742 79 HD3 ARG 12 2HD ARG 12 -3.430 -0.734 -2.875 80 HE ARG 12 HE ARG 12 -1.986 -0.862 -5.340 81 HH11 ARG 12 1HH1 ARG 12 -4.265 -2.846 -3.471 82 HH12 ARG 12 2HH1 ARG 12 -5.042 -3.439 -4.926 83 HH21 ARG 12 1HH2 ARG 12 -2.891 -1.816 -7.099 84 HH22 ARG 12 2HH2 ARG 12 -4.204 -2.971 -6.917 85 H CYS 13 H CYS 13 -4.632 -0.197 -0.731 86 HA CYS 13 HA CYS 13 -4.530 -2.208 1.266 87 HB2 CYS 13 1HB CYS 13 -6.419 -1.219 -0.672 88 HB3 CYS 13 2HB CYS 13 -6.391 -2.978 -0.761 89 H LEU 14 H LEU 14 -3.602 -4.159 1.328 90 HA LEU 14 HA LEU 14 -2.417 -5.366 -1.026 91 HB2 LEU 14 1HB LEU 14 -1.934 -5.494 1.605 92 HB3 LEU 14 2HB LEU 14 -3.007 -6.871 1.502 93 HG LEU 14 HG LEU 14 -0.681 -7.501 1.536 94 HD11 LEU 14 1HD1 LEU 14 -2.317 -8.911 0.299 95 HD12 LEU 14 2HD1 LEU 14 -1.824 -8.100 -1.206 96 HD13 LEU 14 3HD1 LEU 14 -0.647 -9.065 -0.290 97 HD21 LEU 14 1HD2 LEU 14 0.880 -7.008 -0.224 98 HD22 LEU 14 2HD2 LEU 14 -0.354 -6.124 -1.146 99 HD23 LEU 14 3HD2 LEU 14 0.230 -5.480 0.406 100 H ILE 15 H ILE 15 -5.383 -5.712 0.816 101 HA ILE 15 HA ILE 15 -6.309 -8.059 -0.648 102 HB ILE 15 HB ILE 15 -8.384 -6.409 0.667 103 HG12 ILE 15 1HG1 ILE 15 -6.220 -7.678 2.375 104 HG13 ILE 15 2HG1 ILE 15 -6.445 -5.936 2.161 105 HG21 ILE 15 1HG2 ILE 15 -8.640 -8.759 -0.192 106 HG22 ILE 15 2HG2 ILE 15 -7.530 -9.300 1.084 107 HG23 ILE 15 3HG2 ILE 15 -9.095 -8.566 1.507 108 HD11 ILE 15 1HD1 ILE 15 -8.351 -7.837 3.527 109 HD12 ILE 15 2HD1 ILE 15 -7.388 -6.534 4.253 110 HD13 ILE 15 3HD1 ILE 15 -8.721 -6.136 3.145 111 H TRP 16 H TRP 16 -8.696 -7.701 -1.648 112 HA TRP 16 HA TRP 16 -8.224 -6.244 -4.026 113 HB2 TRP 16 1HB TRP 16 -11.016 -6.744 -3.735 114 HB3 TRP 16 2HB TRP 16 -9.834 -7.567 -4.748 115 HD1 TRP 16 HD1 TRP 16 -11.947 -8.070 -1.670 116 HE1 TRP 16 HE1 TRP 16 -11.616 -10.407 -0.692 117 HE3 TRP 16 HE3 TRP 16 -7.839 -9.391 -4.382 118 HZ2 TRP 16 HZ2 TRP 16 -9.773 -12.549 -1.036 119 HZ3 TRP 16 HZ3 TRP 16 -6.819 -11.616 -3.999 120 HH2 TRP 16 HH2 TRP 16 -7.782 -13.174 -2.337 121 H CYS 17 H CYS 17 -9.017 -4.874 -1.109 122 HA CYS 17 HA CYS 17 -10.875 -2.844 -2.002 123 HB2 CYS 17 1HB CYS 17 -9.765 -1.642 0.068 124 HB3 CYS 17 2HB CYS 17 -10.865 -3.002 0.288 125 H ASP 18 H ASP 18 -10.294 -0.517 -2.175 126 HA ASP 18 HA ASP 18 -8.555 -0.072 -4.311 127 HB2 ASP 18 1HB ASP 18 -10.280 1.570 -3.527 128 HB3 ASP 18 2HB ASP 18 -9.266 1.945 -2.127 129 HC ASP 18 HC ASP 18 -6.856 0.139 -1.774 Start of MODEL 9 1 H1 GLY 1 H GLY 1 1.917 0.890 -0.462 2 HA2 GLY 1 1HA GLY 1 3.196 -1.505 -1.080 3 HA3 GLY 1 2HA GLY 1 1.533 -1.668 -1.679 4 H SER 2 H SER 2 0.750 -0.179 -3.277 5 HA SER 2 HA SER 2 2.721 1.585 -4.551 6 HB2 SER 2 1HB SER 2 3.248 -0.719 -5.380 7 HB3 SER 2 2HB SER 2 1.618 -0.797 -6.073 8 HG SER 2 HG SER 2 2.304 1.314 -7.099 9 H ARG 3 H ARG 3 -0.451 -0.026 -4.974 10 HA ARG 3 HA ARG 3 -1.306 1.782 -7.015 11 HB2 ARG 3 1HB ARG 3 -3.114 0.076 -5.300 12 HB3 ARG 3 2HB ARG 3 -3.356 0.583 -6.969 13 HG2 ARG 3 1HG ARG 3 -1.385 -1.485 -5.959 14 HG3 ARG 3 2HG ARG 3 -2.854 -1.759 -6.900 15 HD2 ARG 3 1HD ARG 3 -1.814 -0.353 -8.734 16 HD3 ARG 3 2HD ARG 3 -0.303 -0.401 -7.808 17 HE ARG 3 HE ARG 3 -1.313 -3.052 -8.145 18 HH11 ARG 3 1HH1 ARG 3 0.268 -0.500 -10.007 19 HH12 ARG 3 2HH1 ARG 3 0.983 -1.650 -11.124 20 HH21 ARG 3 1HH2 ARG 3 -0.357 -4.441 -9.575 21 HH22 ARG 3 2HH2 ARG 3 0.659 -3.832 -10.872 22 H GLY 4 H GLY 4 -4.005 2.342 -6.394 23 HA2 GLY 4 1HA GLY 4 -3.696 4.880 -5.144 24 HA3 GLY 4 2HA GLY 4 -5.241 4.067 -5.472 25 H TRP 5 H TRP 5 -5.042 5.585 -3.186 26 HA TRP 5 HA TRP 5 -3.799 4.520 -0.963 27 HB2 TRP 5 1HB TRP 5 -6.518 5.779 -0.731 28 HB3 TRP 5 2HB TRP 5 -5.106 5.972 0.314 29 HD1 TRP 5 HD1 TRP 5 -6.950 7.750 -2.317 30 HE1 TRP 5 HE1 TRP 5 -5.634 9.707 -3.301 31 HE3 TRP 5 HE3 TRP 5 -2.378 6.537 -0.434 32 HZ2 TRP 5 HZ2 TRP 5 -2.922 10.585 -3.300 33 HZ3 TRP 5 HZ3 TRP 5 -0.441 7.998 -0.950 34 HH2 TRP 5 HH2 TRP 5 -0.719 9.996 -2.379 35 H GLY 6 H GLY 6 -4.265 3.134 0.731 36 HA2 GLY 6 1HA GLY 6 -6.785 2.114 1.355 37 HA3 GLY 6 2HA GLY 6 -6.092 0.991 0.187 38 H PHE 7 H PHE 7 -5.490 -0.760 1.214 39 HA PHE 7 HA PHE 7 -4.457 -0.680 3.958 40 HB2 PHE 7 1HB PHE 7 -5.420 -2.728 2.020 41 HB3 PHE 7 2HB PHE 7 -4.197 -3.281 3.145 42 HD1 PHE 7 HD1 PHE 7 -7.073 -0.912 3.606 43 HD2 PHE 7 HD2 PHE 7 -5.171 -4.554 4.784 44 HE1 PHE 7 HE1 PHE 7 -8.792 -1.245 5.338 45 HE2 PHE 7 HE2 PHE 7 -6.876 -4.881 6.531 46 HZ PHE 7 HZ PHE 7 -8.703 -3.237 6.802 47 H GLU 8 H GLU 8 -2.561 -2.781 3.813 48 HA GLU 8 HA GLU 8 -0.349 -3.131 3.587 49 HB2 GLU 8 1HB GLU 8 -0.400 -3.436 1.309 50 HB3 GLU 8 2HB GLU 8 -0.981 -1.831 0.950 51 HG2 GLU 8 1HG GLU 8 1.854 -2.143 1.984 52 HG3 GLU 8 2HG GLU 8 1.472 -2.561 0.331 53 HA PRO 9 HA PRO 9 1.427 0.309 5.725 54 HB2 PRO 9 1HB PRO 9 4.098 -0.386 5.596 55 HB3 PRO 9 2HB PRO 9 2.932 -1.170 6.711 56 HG2 PRO 9 1HG PRO 9 3.855 -2.099 3.992 57 HG3 PRO 9 2HG PRO 9 3.772 -3.016 5.531 58 HD2 PRO 9 1HD PRO 9 1.835 -3.248 3.701 59 HD3 PRO 9 2HD PRO 9 1.423 -3.165 5.446 60 H GLY 10 H GLY 10 1.576 2.249 4.883 61 HA2 GLY 10 1HA GLY 10 2.860 3.782 3.348 62 HA3 GLY 10 2HA GLY 10 2.701 2.502 2.128 63 H VAL 11 H VAL 11 -0.061 1.978 3.469 64 HA VAL 11 HA VAL 11 -2.237 2.517 3.101 65 HB VAL 11 HB VAL 11 -1.475 5.427 2.693 66 HG11 VAL 11 1HG1 VAL 11 -3.829 4.807 2.251 67 HG12 VAL 11 2HG1 VAL 11 -3.937 4.067 3.865 68 HG13 VAL 11 3HG1 VAL 11 -3.691 5.820 3.699 69 HG21 VAL 11 1HG2 VAL 11 -0.351 4.780 4.738 70 HG22 VAL 11 2HG2 VAL 11 -1.815 5.682 5.166 71 HG23 VAL 11 3HG2 VAL 11 -1.795 3.909 5.309 72 H ARG 12 H ARG 12 -1.117 1.359 1.070 73 HA ARG 12 HA ARG 12 -2.380 2.680 -1.275 74 HB2 ARG 12 1HB ARG 12 0.355 1.408 -1.376 75 HB3 ARG 12 2HB ARG 12 -0.499 2.140 -2.719 76 HG2 ARG 12 1HG ARG 12 0.434 3.671 -0.273 77 HG3 ARG 12 2HG ARG 12 1.410 3.456 -1.723 78 HD2 ARG 12 1HD ARG 12 -1.344 4.526 -2.119 79 HD3 ARG 12 2HD ARG 12 -0.186 5.580 -1.312 80 HE ARG 12 HE ARG 12 -0.142 4.669 -4.100 81 HH11 ARG 12 1HH1 ARG 12 1.718 6.255 -1.545 82 HH12 ARG 12 2HH1 ARG 12 2.873 6.918 -2.690 83 HH21 ARG 12 1HH2 ARG 12 1.345 5.527 -5.466 84 HH22 ARG 12 2HH2 ARG 12 2.622 6.582 -4.873 85 H CYS 13 H CYS 13 -3.852 1.261 -2.010 86 HA CYS 13 HA CYS 13 -4.258 -1.195 -0.709 87 HB2 CYS 13 1HB CYS 13 -6.010 0.142 -1.874 88 HB3 CYS 13 2HB CYS 13 -5.292 -0.306 -3.423 89 H LEU 14 H LEU 14 -3.472 -3.150 -0.888 90 HA LEU 14 HA LEU 14 -2.405 -4.038 -3.519 91 HB2 LEU 14 1HB LEU 14 -0.908 -3.410 -1.215 92 HB3 LEU 14 2HB LEU 14 -0.992 -5.162 -1.227 93 HG LEU 14 HG LEU 14 1.038 -4.260 -2.231 94 HD11 LEU 14 1HD1 LEU 14 0.209 -6.466 -2.900 95 HD12 LEU 14 2HD1 LEU 14 -0.742 -5.727 -4.208 96 HD13 LEU 14 3HD1 LEU 14 1.034 -5.657 -4.250 97 HD21 LEU 14 1HD2 LEU 14 -0.648 -3.270 -4.545 98 HD22 LEU 14 2HD2 LEU 14 -0.042 -2.216 -3.250 99 HD23 LEU 14 3HD2 LEU 14 1.103 -3.087 -4.299 100 H ILE 15 H ILE 15 -3.508 -5.040 -0.255 101 HA ILE 15 HA ILE 15 -4.638 -7.480 -1.540 102 HB ILE 15 HB ILE 15 -3.514 -7.278 1.286 103 HG12 ILE 15 1HG1 ILE 15 -2.402 -8.726 -1.141 104 HG13 ILE 15 2HG1 ILE 15 -1.763 -7.218 -0.495 105 HG21 ILE 15 1HG2 ILE 15 -5.400 -8.827 1.085 106 HG22 ILE 15 2HG2 ILE 15 -4.631 -9.627 -0.304 107 HG23 ILE 15 3HG2 ILE 15 -3.898 -9.732 1.316 108 HD11 ILE 15 1HD1 ILE 15 -0.352 -8.961 0.268 109 HD12 ILE 15 2HD1 ILE 15 -1.288 -8.384 1.665 110 HD13 ILE 15 3HD1 ILE 15 -1.725 -9.916 0.866 111 H TRP 16 H TRP 16 -6.738 -7.406 -1.522 112 HA TRP 16 HA TRP 16 -8.849 -6.546 -1.072 113 HB2 TRP 16 1HB TRP 16 -8.419 -7.981 1.529 114 HB3 TRP 16 2HB TRP 16 -9.837 -7.958 0.478 115 HD1 TRP 16 HD1 TRP 16 -7.365 -10.292 1.522 116 HE1 TRP 16 HE1 TRP 16 -6.790 -12.114 -0.172 117 HE3 TRP 16 HE3 TRP 16 -9.557 -8.171 -2.567 118 HZ2 TRP 16 HZ2 TRP 16 -7.060 -12.470 -2.981 119 HZ3 TRP 16 HZ3 TRP 16 -9.350 -9.309 -4.754 120 HH2 TRP 16 HH2 TRP 16 -8.103 -11.434 -4.955 121 H CYS 17 H CYS 17 -7.899 -4.227 -0.758 122 HA CYS 17 HA CYS 17 -7.935 -3.266 1.969 123 HB2 CYS 17 1HB CYS 17 -7.772 -1.039 0.921 124 HB3 CYS 17 2HB CYS 17 -6.566 -2.184 0.307 125 H ASP 18 H ASP 18 -9.318 -1.594 2.805 126 HA ASP 18 HA ASP 18 -12.154 -2.044 2.235 127 HB2 ASP 18 1HB ASP 18 -11.319 -1.643 4.577 128 HB3 ASP 18 2HB ASP 18 -10.842 -0.009 4.098 129 HC ASP 18 HC ASP 18 -12.595 -0.078 0.892 Start of MODEL 10 1 H1 GLY 1 H GLY 1 1.712 0.632 -0.719 2 HA2 GLY 1 1HA GLY 1 3.076 -1.779 -1.077 3 HA3 GLY 1 2HA GLY 1 1.403 -2.058 -1.609 4 H SER 2 H SER 2 0.506 -0.407 -3.169 5 HA SER 2 HA SER 2 2.494 1.095 -4.696 6 HB2 SER 2 1HB SER 2 2.811 -1.208 -5.515 7 HB3 SER 2 2HB SER 2 1.100 -1.280 -5.970 8 HG SER 2 HG SER 2 2.884 0.707 -6.934 9 H ARG 3 H ARG 3 -0.829 -0.249 -4.924 10 HA ARG 3 HA ARG 3 -1.573 1.677 -6.923 11 HB2 ARG 3 1HB ARG 3 -3.463 -0.017 -5.276 12 HB3 ARG 3 2HB ARG 3 -3.688 0.583 -6.918 13 HG2 ARG 3 1HG ARG 3 -1.808 -1.618 -6.012 14 HG3 ARG 3 2HG ARG 3 -3.271 -1.778 -6.987 15 HD2 ARG 3 1HD ARG 3 -2.140 -0.318 -8.725 16 HD3 ARG 3 2HD ARG 3 -0.655 -0.462 -7.771 17 HE ARG 3 HE ARG 3 -1.735 -3.057 -8.283 18 HH11 ARG 3 1HH1 ARG 3 0.015 -0.467 -9.938 19 HH12 ARG 3 2HH1 ARG 3 0.720 -1.581 -11.095 20 HH21 ARG 3 1HH2 ARG 3 -0.788 -4.392 -9.765 21 HH22 ARG 3 2HH2 ARG 3 0.301 -3.750 -10.984 22 H GLY 4 H GLY 4 -4.149 2.470 -6.347 23 HA2 GLY 4 1HA GLY 4 -3.650 4.894 -4.973 24 HA3 GLY 4 2HA GLY 4 -5.255 4.246 -5.369 25 H TRP 5 H TRP 5 -5.020 5.676 -3.073 26 HA TRP 5 HA TRP 5 -3.910 4.626 -0.822 27 HB2 TRP 5 1HB TRP 5 -6.669 5.822 -0.723 28 HB3 TRP 5 2HB TRP 5 -5.343 6.011 0.425 29 HD1 TRP 5 HD1 TRP 5 -6.983 7.773 -2.376 30 HE1 TRP 5 HE1 TRP 5 -5.652 9.814 -3.144 31 HE3 TRP 5 HE3 TRP 5 -2.588 6.660 -0.054 32 HZ2 TRP 5 HZ2 TRP 5 -3.035 10.858 -2.713 33 HZ3 TRP 5 HZ3 TRP 5 -0.708 8.267 -0.214 34 HH2 TRP 5 HH2 TRP 5 -0.940 10.347 -1.531 35 H GLY 6 H GLY 6 -4.308 3.166 0.786 36 HA2 GLY 6 1HA GLY 6 -6.798 2.045 1.395 37 HA3 GLY 6 2HA GLY 6 -6.072 0.994 0.179 38 H PHE 7 H PHE 7 -5.639 -0.782 1.279 39 HA PHE 7 HA PHE 7 -4.470 -0.759 3.955 40 HB2 PHE 7 1HB PHE 7 -5.440 -2.789 1.969 41 HB3 PHE 7 2HB PHE 7 -4.283 -3.331 3.173 42 HD1 PHE 7 HD1 PHE 7 -7.091 -0.862 3.565 43 HD2 PHE 7 HD2 PHE 7 -5.438 -4.652 4.651 44 HE1 PHE 7 HE1 PHE 7 -8.916 -1.192 5.179 45 HE2 PHE 7 HE2 PHE 7 -7.251 -4.977 6.284 46 HZ PHE 7 HZ PHE 7 -9.009 -3.255 6.541 47 H GLU 8 H GLU 8 -2.600 -2.721 3.919 48 HA GLU 8 HA GLU 8 -0.404 -3.108 3.693 49 HB2 GLU 8 1HB GLU 8 -0.369 -3.537 1.444 50 HB3 GLU 8 2HB GLU 8 -0.969 -1.968 0.970 51 HG2 GLU 8 1HG GLU 8 1.817 -2.105 2.143 52 HG3 GLU 8 2HG GLU 8 1.546 -2.705 0.525 53 HA PRO 9 HA PRO 9 1.254 0.402 5.761 54 HB2 PRO 9 1HB PRO 9 3.921 -0.313 5.822 55 HB3 PRO 9 2HB PRO 9 2.683 -1.050 6.891 56 HG2 PRO 9 1HG PRO 9 3.768 -2.079 4.271 57 HG3 PRO 9 2HG PRO 9 3.580 -2.943 5.831 58 HD2 PRO 9 1HD PRO 9 1.769 -3.219 3.880 59 HD3 PRO 9 2HD PRO 9 1.244 -3.093 5.592 60 H GLY 10 H GLY 10 1.547 2.317 4.915 61 HA2 GLY 10 1HA GLY 10 2.879 3.788 3.374 62 HA3 GLY 10 2HA GLY 10 2.716 2.490 2.172 63 H VAL 11 H VAL 11 -0.053 2.010 3.443 64 HA VAL 11 HA VAL 11 -2.219 2.563 3.044 65 HB VAL 11 HB VAL 11 -1.453 5.479 2.704 66 HG11 VAL 11 1HG1 VAL 11 -3.806 4.872 2.273 67 HG12 VAL 11 2HG1 VAL 11 -3.898 4.072 3.858 68 HG13 VAL 11 3HG1 VAL 11 -3.664 5.831 3.756 69 HG21 VAL 11 1HG2 VAL 11 -0.304 4.805 4.723 70 HG22 VAL 11 2HG2 VAL 11 -1.773 5.679 5.188 71 HG23 VAL 11 3HG2 VAL 11 -1.730 3.903 5.292 72 H ARG 12 H ARG 12 -0.936 1.507 1.017 73 HA ARG 12 HA ARG 12 -2.162 2.822 -1.363 74 HB2 ARG 12 1HB ARG 12 0.667 1.755 -1.167 75 HB3 ARG 12 2HB ARG 12 -0.129 2.161 -2.684 76 HG2 ARG 12 1HG ARG 12 0.300 4.192 -0.472 77 HG3 ARG 12 2HG ARG 12 1.519 3.831 -1.701 78 HD2 ARG 12 1HD ARG 12 -0.163 4.355 -3.464 79 HD3 ARG 12 2HD ARG 12 -1.273 4.897 -2.189 80 HE ARG 12 HE ARG 12 1.192 6.236 -1.835 81 HH11 ARG 12 1HH1 ARG 12 -1.394 6.144 -4.226 82 HH12 ARG 12 2HH1 ARG 12 -1.113 7.808 -4.724 83 HH21 ARG 12 1HH2 ARG 12 1.534 8.301 -2.547 84 HH22 ARG 12 2HH2 ARG 12 0.536 8.991 -3.819 85 H CYS 13 H CYS 13 -3.623 1.385 -2.037 86 HA CYS 13 HA CYS 13 -3.938 -1.049 -0.691 87 HB2 CYS 13 1HB CYS 13 -5.752 0.215 -1.808 88 HB3 CYS 13 2HB CYS 13 -5.063 -0.193 -3.381 89 H LEU 14 H LEU 14 -3.236 -3.049 -0.890 90 HA LEU 14 HA LEU 14 -2.197 -3.946 -3.523 91 HB2 LEU 14 1HB LEU 14 -0.546 -3.259 -1.503 92 HB3 LEU 14 2HB LEU 14 -0.871 -4.910 -1.020 93 HG LEU 14 HG LEU 14 1.218 -4.644 -2.223 94 HD11 LEU 14 1HD1 LEU 14 0.986 -6.501 -3.777 95 HD12 LEU 14 2HD1 LEU 14 0.015 -6.797 -2.319 96 HD13 LEU 14 3HD1 LEU 14 -0.776 -6.279 -3.825 97 HD21 LEU 14 1HD2 LEU 14 0.425 -2.789 -3.738 98 HD22 LEU 14 2HD2 LEU 14 1.388 -4.059 -4.525 99 HD23 LEU 14 3HD2 LEU 14 -0.377 -4.031 -4.726 100 H ILE 15 H ILE 15 -3.299 -4.925 -0.250 101 HA ILE 15 HA ILE 15 -4.453 -7.365 -1.520 102 HB ILE 15 HB ILE 15 -3.398 -7.120 1.328 103 HG12 ILE 15 1HG1 ILE 15 -2.229 -8.607 -1.048 104 HG13 ILE 15 2HG1 ILE 15 -1.605 -7.091 -0.410 105 HG21 ILE 15 1HG2 ILE 15 -3.790 -9.573 1.385 106 HG22 ILE 15 2HG2 ILE 15 -5.283 -8.668 1.102 107 HG23 ILE 15 3HG2 ILE 15 -4.480 -9.491 -0.254 108 HD11 ILE 15 1HD1 ILE 15 -0.213 -8.818 0.415 109 HD12 ILE 15 2HD1 ILE 15 -1.186 -8.228 1.780 110 HD13 ILE 15 3HD1 ILE 15 -1.600 -9.769 0.988 111 H TRP 16 H TRP 16 -6.547 -7.297 -1.558 112 HA TRP 16 HA TRP 16 -8.679 -6.477 -1.154 113 HB2 TRP 16 1HB TRP 16 -8.206 -7.886 1.464 114 HB3 TRP 16 2HB TRP 16 -9.663 -7.847 0.465 115 HD1 TRP 16 HD1 TRP 16 -7.135 -10.197 1.382 116 HE1 TRP 16 HE1 TRP 16 -6.649 -12.007 -0.353 117 HE3 TRP 16 HE3 TRP 16 -9.569 -8.066 -2.562 118 HZ2 TRP 16 HZ2 TRP 16 -7.077 -12.348 -3.143 119 HZ3 TRP 16 HZ3 TRP 16 -9.504 -9.204 -4.758 120 HH2 TRP 16 HH2 TRP 16 -8.254 -11.318 -5.045 121 H CYS 17 H CYS 17 -7.736 -4.127 -0.839 122 HA CYS 17 HA CYS 17 -7.993 -3.121 1.861 123 HB2 CYS 17 1HB CYS 17 -7.874 -0.898 0.763 124 HB3 CYS 17 2HB CYS 17 -6.550 -1.993 0.330 125 H ASP 18 H ASP 18 -9.495 -1.494 2.574 126 HA ASP 18 HA ASP 18 -12.241 -2.230 2.115 127 HB2 ASP 18 1HB ASP 18 -11.410 -1.245 4.276 128 HB3 ASP 18 2HB ASP 18 -11.141 0.292 3.443 129 HC ASP 18 HC ASP 18 -12.879 -0.743 0.325 Start of MODEL 11 1 H1 GLY 1 H GLY 1 2.431 -2.192 -0.365 2 HA2 GLY 1 1HA GLY 1 1.386 -1.629 -2.368 3 HA3 GLY 1 2HA GLY 1 0.242 -0.634 -1.483 4 H SER 2 H SER 2 0.563 0.571 -3.518 5 HA SER 2 HA SER 2 2.334 2.844 -3.023 6 HB2 SER 2 1HB SER 2 3.856 1.354 -4.209 7 HB3 SER 2 2HB SER 2 2.651 1.088 -5.482 8 HG SER 2 HG SER 2 4.455 2.894 -5.552 9 H ARG 3 H ARG 3 0.176 1.233 -5.364 10 HA ARG 3 HA ARG 3 -0.356 3.601 -6.837 11 HB2 ARG 3 1HB ARG 3 -1.977 1.035 -6.745 12 HB3 ARG 3 2HB ARG 3 -1.978 2.241 -8.031 13 HG2 ARG 3 1HG ARG 3 0.310 0.399 -7.245 14 HG3 ARG 3 2HG ARG 3 -0.702 0.297 -8.690 15 HD2 ARG 3 1HD ARG 3 0.137 2.624 -9.281 16 HD3 ARG 3 2HD ARG 3 1.333 2.433 -7.995 17 HE ARG 3 HE ARG 3 1.125 0.785 -10.477 18 HH11 ARG 3 1HH1 ARG 3 3.104 1.883 -7.745 19 HH12 ARG 3 2HH1 ARG 3 4.524 1.054 -8.362 20 HH21 ARG 3 1HH2 ARG 3 2.966 -0.171 -11.189 21 HH22 ARG 3 2HH2 ARG 3 4.461 -0.041 -10.278 22 H GLY 4 H GLY 4 -2.858 1.788 -5.046 23 HA2 GLY 4 1HA GLY 4 -4.548 4.204 -5.198 24 HA3 GLY 4 2HA GLY 4 -5.065 2.567 -4.780 25 H TRP 5 H TRP 5 -5.960 2.655 -2.815 26 HA TRP 5 HA TRP 5 -4.376 3.922 -0.647 27 HB2 TRP 5 1HB TRP 5 -7.384 4.103 -0.874 28 HB3 TRP 5 2HB TRP 5 -6.330 4.941 0.273 29 HD1 TRP 5 HD1 TRP 5 -7.949 5.388 -3.046 30 HE1 TRP 5 HE1 TRP 5 -7.096 7.443 -4.283 31 HE3 TRP 5 HE3 TRP 5 -3.830 6.257 -0.196 32 HZ2 TRP 5 HZ2 TRP 5 -4.980 9.340 -3.944 33 HZ3 TRP 5 HZ3 TRP 5 -2.421 8.242 -0.685 34 HH2 TRP 5 HH2 TRP 5 -3.002 9.765 -2.544 35 H GLY 6 H GLY 6 -4.408 2.920 1.363 36 HA2 GLY 6 1HA GLY 6 -6.344 1.487 2.580 37 HA3 GLY 6 2HA GLY 6 -5.682 0.285 1.472 38 H PHE 7 H PHE 7 -5.087 -1.027 3.190 39 HA PHE 7 HA PHE 7 -3.293 -0.168 5.274 40 HB2 PHE 7 1HB PHE 7 -4.274 -2.817 4.217 41 HB3 PHE 7 2HB PHE 7 -2.977 -2.763 5.410 42 HD1 PHE 7 HD1 PHE 7 -6.442 -1.499 4.848 43 HD2 PHE 7 HD2 PHE 7 -3.455 -2.617 7.685 44 HE1 PHE 7 HE1 PHE 7 -8.103 -1.299 6.665 45 HE2 PHE 7 HE2 PHE 7 -5.098 -2.399 9.509 46 HZ PHE 7 HZ PHE 7 -7.428 -1.734 9.005 47 H GLU 8 H GLU 8 -1.191 -1.484 5.576 48 HA GLU 8 HA GLU 8 0.937 -1.887 5.047 49 HB2 GLU 8 1HB GLU 8 0.826 -3.342 3.348 50 HB3 GLU 8 2HB GLU 8 -0.303 -2.407 2.406 51 HG2 GLU 8 1HG GLU 8 2.553 -1.399 2.551 52 HG3 GLU 8 2HG GLU 8 2.210 -2.834 1.610 53 HA PRO 9 HA PRO 9 2.465 2.224 4.771 54 HB2 PRO 9 1HB PRO 9 5.168 1.704 4.563 55 HB3 PRO 9 2HB PRO 9 4.262 1.532 6.100 56 HG2 PRO 9 1HG PRO 9 4.971 -0.591 4.077 57 HG3 PRO 9 2HG PRO 9 5.200 -0.610 5.855 58 HD2 PRO 9 1HD PRO 9 3.107 -1.838 4.711 59 HD3 PRO 9 2HD PRO 9 2.907 -0.942 6.257 60 H GLY 10 H GLY 10 2.782 3.628 3.104 61 HA2 GLY 10 1HA GLY 10 3.346 4.076 0.744 62 HA3 GLY 10 2HA GLY 10 3.024 2.360 0.404 63 H VAL 11 H VAL 11 0.819 2.386 2.397 64 HA VAL 11 HA VAL 11 -1.405 2.711 2.571 65 HB VAL 11 HB VAL 11 -1.123 5.369 1.133 66 HG11 VAL 11 1HG1 VAL 11 -3.422 4.611 1.625 67 HG12 VAL 11 2HG1 VAL 11 -2.982 4.363 3.330 68 HG13 VAL 11 3HG1 VAL 11 -2.982 6.001 2.635 69 HG21 VAL 11 1HG2 VAL 11 -0.761 6.334 3.427 70 HG22 VAL 11 2HG2 VAL 11 -0.491 4.681 4.027 71 HG23 VAL 11 3HG2 VAL 11 0.607 5.388 2.816 72 H ARG 12 H ARG 12 -1.090 0.937 0.817 73 HA ARG 12 HA ARG 12 -3.455 1.404 -0.817 74 HB2 ARG 12 1HB ARG 12 -2.200 2.033 -2.590 75 HB3 ARG 12 2HB ARG 12 -0.783 1.168 -2.043 76 HG2 ARG 12 1HG ARG 12 -1.572 0.205 -4.101 77 HG3 ARG 12 2HG ARG 12 -1.793 -0.971 -2.806 78 HD2 ARG 12 1HD ARG 12 -4.063 -0.940 -2.977 79 HD3 ARG 12 2HD ARG 12 -4.125 0.787 -3.324 80 HE ARG 12 HE ARG 12 -3.923 0.359 -5.608 81 HH11 ARG 12 1HH1 ARG 12 -3.587 -2.709 -3.839 82 HH12 ARG 12 2HH1 ARG 12 -3.720 -3.642 -5.316 83 HH21 ARG 12 1HH2 ARG 12 -4.129 -0.905 -7.386 84 HH22 ARG 12 2HH2 ARG 12 -4.029 -2.655 -7.265 85 H CYS 13 H CYS 13 -4.712 -0.263 -0.504 86 HA CYS 13 HA CYS 13 -4.026 -2.385 1.163 87 HB2 CYS 13 1HB CYS 13 -6.279 -1.564 -0.465 88 HB3 CYS 13 2HB CYS 13 -6.066 -3.307 -0.590 89 H LEU 14 H LEU 14 -2.981 -4.259 0.965 90 HA LEU 14 HA LEU 14 -2.185 -5.322 -1.645 91 HB2 LEU 14 1HB LEU 14 -1.775 -5.950 1.224 92 HB3 LEU 14 2HB LEU 14 -1.895 -7.355 0.186 93 HG LEU 14 HG LEU 14 0.407 -6.696 0.663 94 HD11 LEU 14 1HD1 LEU 14 1.263 -6.879 -1.601 95 HD12 LEU 14 2HD1 LEU 14 -0.157 -7.924 -1.401 96 HD13 LEU 14 3HD1 LEU 14 -0.306 -6.380 -2.272 97 HD21 LEU 14 1HD2 LEU 14 1.419 -4.723 -0.293 98 HD22 LEU 14 2HD2 LEU 14 -0.127 -4.225 -1.018 99 HD23 LEU 14 3HD2 LEU 14 0.062 -4.240 0.749 100 H ILE 15 H ILE 15 -4.840 -5.617 0.557 101 HA ILE 15 HA ILE 15 -5.915 -8.026 -0.733 102 HB ILE 15 HB ILE 15 -7.820 -6.477 0.887 103 HG12 ILE 15 1HG1 ILE 15 -5.364 -7.586 2.278 104 HG13 ILE 15 2HG1 ILE 15 -5.721 -5.864 2.079 105 HG21 ILE 15 1HG2 ILE 15 -8.284 -8.656 1.818 106 HG22 ILE 15 2HG2 ILE 15 -8.031 -8.857 0.077 107 HG23 ILE 15 3HG2 ILE 15 -6.740 -9.302 1.211 108 HD11 ILE 15 1HD1 ILE 15 -6.333 -6.463 4.289 109 HD12 ILE 15 2HD1 ILE 15 -7.831 -6.192 3.371 110 HD13 ILE 15 3HD1 ILE 15 -7.288 -7.851 3.727 111 H TRP 16 H TRP 16 -8.502 -7.588 -1.230 112 HA TRP 16 HA TRP 16 -8.376 -6.284 -3.731 113 HB2 TRP 16 1HB TRP 16 -11.081 -6.657 -2.693 114 HB3 TRP 16 2HB TRP 16 -10.300 -7.354 -4.111 115 HD1 TRP 16 HD1 TRP 16 -11.519 -8.262 -0.710 116 HE1 TRP 16 HE1 TRP 16 -10.869 -10.643 -0.054 117 HE3 TRP 16 HE3 TRP 16 -8.121 -9.117 -4.418 118 HZ2 TRP 16 HZ2 TRP 16 -9.074 -12.633 -1.008 119 HZ3 TRP 16 HZ3 TRP 16 -6.946 -11.294 -4.478 120 HH2 TRP 16 HH2 TRP 16 -7.427 -13.034 -2.788 121 H CYS 17 H CYS 17 -8.728 -4.739 -0.760 122 HA CYS 17 HA CYS 17 -10.671 -2.749 -1.439 123 HB2 CYS 17 1HB CYS 17 -8.919 -1.517 0.308 124 HB3 CYS 17 2HB CYS 17 -10.353 -2.442 0.747 125 H ASP 18 H ASP 18 -10.183 -0.418 -1.738 126 HA ASP 18 HA ASP 18 -9.379 0.104 -4.222 127 HB2 ASP 18 1HB ASP 18 -10.276 1.802 -2.558 128 HB3 ASP 18 2HB ASP 18 -8.624 2.011 -1.964 129 HC ASP 18 HC ASP 18 -6.959 -0.777 -3.912 Start of MODEL 12 1 H1 GLY 1 H GLY 1 1.890 0.885 -0.492 2 HA2 GLY 1 1HA GLY 1 3.135 -1.541 -1.111 3 HA3 GLY 1 2HA GLY 1 1.460 -1.665 -1.690 4 H SER 2 H SER 2 0.722 -0.226 -3.334 5 HA SER 2 HA SER 2 2.693 1.583 -4.551 6 HB2 SER 2 1HB SER 2 3.243 -0.712 -5.394 7 HB3 SER 2 2HB SER 2 1.630 -0.782 -6.122 8 HG SER 2 HG SER 2 2.332 1.333 -7.120 9 H ARG 3 H ARG 3 -0.460 -0.038 -5.042 10 HA ARG 3 HA ARG 3 -1.340 1.775 -7.059 11 HB2 ARG 3 1HB ARG 3 -3.109 0.077 -5.288 12 HB3 ARG 3 2HB ARG 3 -3.414 0.597 -6.942 13 HG2 ARG 3 1HG ARG 3 -1.402 -1.482 -6.033 14 HG3 ARG 3 2HG ARG 3 -2.912 -1.747 -6.911 15 HD2 ARG 3 1HD ARG 3 -1.931 -0.272 -8.753 16 HD3 ARG 3 2HD ARG 3 -0.382 -0.421 -7.907 17 HE ARG 3 HE ARG 3 -1.498 -3.015 -8.287 18 HH11 ARG 3 1HH1 ARG 3 0.025 -0.443 -10.171 19 HH12 ARG 3 2HH1 ARG 3 0.604 -1.569 -11.387 20 HH21 ARG 3 1HH2 ARG 3 -0.722 -4.373 -9.855 21 HH22 ARG 3 2HH2 ARG 3 0.203 -3.741 -11.207 22 H GLY 4 H GLY 4 -4.017 2.368 -6.388 23 HA2 GLY 4 1HA GLY 4 -3.663 4.898 -5.130 24 HA3 GLY 4 2HA GLY 4 -5.219 4.104 -5.448 25 H TRP 5 H TRP 5 -5.045 5.587 -3.167 26 HA TRP 5 HA TRP 5 -3.788 4.523 -0.947 27 HB2 TRP 5 1HB TRP 5 -6.512 5.773 -0.729 28 HB3 TRP 5 2HB TRP 5 -5.118 5.963 0.335 29 HD1 TRP 5 HD1 TRP 5 -6.928 7.754 -2.309 30 HE1 TRP 5 HE1 TRP 5 -5.601 9.708 -3.278 31 HE3 TRP 5 HE3 TRP 5 -2.377 6.532 -0.382 32 HZ2 TRP 5 HZ2 TRP 5 -2.889 10.584 -3.246 33 HZ3 TRP 5 HZ3 TRP 5 -0.431 7.984 -0.885 34 HH2 TRP 5 HH2 TRP 5 -0.693 9.985 -2.314 35 H GLY 6 H GLY 6 -4.254 3.133 0.740 36 HA2 GLY 6 1HA GLY 6 -6.767 2.090 1.347 37 HA3 GLY 6 2HA GLY 6 -6.061 0.976 0.179 38 H PHE 7 H PHE 7 -5.464 -0.776 1.199 39 HA PHE 7 HA PHE 7 -4.444 -0.718 3.947 40 HB2 PHE 7 1HB PHE 7 -5.362 -2.754 1.969 41 HB3 PHE 7 2HB PHE 7 -4.156 -3.304 3.115 42 HD1 PHE 7 HD1 PHE 7 -7.045 -0.946 3.571 43 HD2 PHE 7 HD2 PHE 7 -5.180 -4.629 4.685 44 HE1 PHE 7 HE1 PHE 7 -8.794 -1.316 5.262 45 HE2 PHE 7 HE2 PHE 7 -6.911 -4.987 6.401 46 HZ PHE 7 HZ PHE 7 -8.736 -3.341 6.680 47 H GLU 8 H GLU 8 -2.529 -2.766 3.837 48 HA GLU 8 HA GLU 8 -0.314 -3.106 3.625 49 HB2 GLU 8 1HB GLU 8 -0.345 -3.437 1.349 50 HB3 GLU 8 2HB GLU 8 -0.943 -1.844 0.967 51 HG2 GLU 8 1HG GLU 8 1.884 -2.110 2.032 52 HG3 GLU 8 2HG GLU 8 1.527 -2.551 0.378 53 HA PRO 9 HA PRO 9 1.409 0.339 5.771 54 HB2 PRO 9 1HB PRO 9 4.085 -0.352 5.688 55 HB3 PRO 9 2HB PRO 9 2.902 -1.134 6.787 56 HG2 PRO 9 1HG PRO 9 3.872 -2.067 4.087 57 HG3 PRO 9 2HG PRO 9 3.765 -2.982 5.625 58 HD2 PRO 9 1HD PRO 9 1.861 -3.221 3.764 59 HD3 PRO 9 2HD PRO 9 1.417 -3.133 5.501 60 H GLY 10 H GLY 10 1.568 2.280 4.921 61 HA2 GLY 10 1HA GLY 10 2.853 3.812 3.389 62 HA3 GLY 10 2HA GLY 10 2.724 2.519 2.179 63 H VAL 11 H VAL 11 -0.047 1.979 3.482 64 HA VAL 11 HA VAL 11 -2.224 2.502 3.103 65 HB VAL 11 HB VAL 11 -1.478 5.418 2.706 66 HG11 VAL 11 1HG1 VAL 11 -3.932 4.039 3.874 67 HG12 VAL 11 2HG1 VAL 11 -3.694 5.794 3.720 68 HG13 VAL 11 3HG1 VAL 11 -3.828 4.790 2.265 69 HG21 VAL 11 1HG2 VAL 11 -1.781 3.885 5.317 70 HG22 VAL 11 2HG2 VAL 11 -0.347 4.771 4.748 71 HG23 VAL 11 3HG2 VAL 11 -1.817 5.658 5.182 72 H ARG 12 H ARG 12 -1.115 1.351 1.073 73 HA ARG 12 HA ARG 12 -2.401 2.666 -1.261 74 HB2 ARG 12 1HB ARG 12 0.329 1.386 -1.405 75 HB3 ARG 12 2HB ARG 12 -0.548 2.119 -2.732 76 HG2 ARG 12 1HG ARG 12 0.444 3.644 -0.303 77 HG3 ARG 12 2HG ARG 12 1.377 3.437 -1.782 78 HD2 ARG 12 1HD ARG 12 -1.372 4.481 -2.165 79 HD3 ARG 12 2HD ARG 12 -0.273 5.537 -1.277 80 HE ARG 12 HE ARG 12 -0.112 4.739 -4.098 81 HH11 ARG 12 1HH1 ARG 12 1.628 6.262 -1.419 82 HH12 ARG 12 2HH1 ARG 12 2.781 7.026 -2.503 83 HH21 ARG 12 1HH2 ARG 12 1.381 5.706 -5.380 84 HH22 ARG 12 2HH2 ARG 12 2.615 6.758 -4.702 85 H CYS 13 H CYS 13 -3.859 1.253 -2.012 86 HA CYS 13 HA CYS 13 -4.268 -1.209 -0.716 87 HB2 CYS 13 1HB CYS 13 -6.020 0.139 -1.872 88 HB3 CYS 13 2HB CYS 13 -5.306 -0.305 -3.424 89 H LEU 14 H LEU 14 -3.482 -3.163 -0.906 90 HA LEU 14 HA LEU 14 -2.436 -4.047 -3.545 91 HB2 LEU 14 1HB LEU 14 -0.907 -3.421 -1.258 92 HB3 LEU 14 2HB LEU 14 -0.992 -5.173 -1.275 93 HG LEU 14 HG LEU 14 1.026 -4.271 -2.299 94 HD11 LEU 14 1HD1 LEU 14 0.179 -6.473 -2.970 95 HD12 LEU 14 2HD1 LEU 14 -0.774 -5.722 -4.271 96 HD13 LEU 14 3HD1 LEU 14 1.002 -5.661 -4.319 97 HD21 LEU 14 1HD2 LEU 14 -0.676 -3.275 -4.598 98 HD22 LEU 14 2HD2 LEU 14 -0.079 -2.223 -3.297 99 HD23 LEU 14 3HD2 LEU 14 1.074 -3.077 -4.352 100 H ILE 15 H ILE 15 -3.503 -5.035 -0.267 101 HA ILE 15 HA ILE 15 -4.637 -7.488 -1.525 102 HB ILE 15 HB ILE 15 -3.517 -7.252 1.299 103 HG12 ILE 15 1HG1 ILE 15 -2.398 -8.718 -1.111 104 HG13 ILE 15 2HG1 ILE 15 -1.763 -7.205 -0.475 105 HG21 ILE 15 1HG2 ILE 15 -3.897 -9.706 1.359 106 HG22 ILE 15 2HG2 ILE 15 -5.400 -8.807 1.110 107 HG23 ILE 15 3HG2 ILE 15 -4.622 -9.622 -0.265 108 HD11 ILE 15 1HD1 ILE 15 -1.293 -8.354 1.696 109 HD12 ILE 15 2HD1 ILE 15 -1.719 -9.892 0.904 110 HD13 ILE 15 3HD1 ILE 15 -0.348 -8.934 0.307 111 H TRP 16 H TRP 16 -6.733 -7.409 -1.520 112 HA TRP 16 HA TRP 16 -8.848 -6.553 -1.082 113 HB2 TRP 16 1HB TRP 16 -8.425 -7.980 1.525 114 HB3 TRP 16 2HB TRP 16 -9.838 -7.966 0.467 115 HD1 TRP 16 HD1 TRP 16 -7.356 -10.283 1.529 116 HE1 TRP 16 HE1 TRP 16 -6.775 -12.114 -0.153 117 HE3 TRP 16 HE3 TRP 16 -9.540 -8.187 -2.578 118 HZ2 TRP 16 HZ2 TRP 16 -7.043 -12.490 -2.958 119 HZ3 TRP 16 HZ3 TRP 16 -9.334 -9.343 -4.755 120 HH2 TRP 16 HH2 TRP 16 -8.088 -11.470 -4.941 121 H CYS 17 H CYS 17 -7.903 -4.226 -0.761 122 HA CYS 17 HA CYS 17 -7.975 -3.264 1.965 123 HB2 CYS 17 1HB CYS 17 -7.804 -1.038 0.917 124 HB3 CYS 17 2HB CYS 17 -6.589 -2.181 0.314 125 H ASP 18 H ASP 18 -9.376 -1.590 2.778 126 HA ASP 18 HA ASP 18 -12.193 -2.091 2.297 127 HB2 ASP 18 1HB ASP 18 -11.292 -1.383 4.540 128 HB3 ASP 18 2HB ASP 18 -10.880 0.192 3.846 129 HC ASP 18 HC ASP 18 -12.705 -0.355 0.695 Start of MODEL 13 1 H1 GLY 1 H GLY 1 2.463 -0.481 0.136 2 HA2 GLY 1 1HA GLY 1 3.608 -0.843 -2.223 3 HA3 GLY 1 2HA GLY 1 1.928 -0.708 -2.771 4 H SER 2 H SER 2 1.976 1.281 -3.824 5 HA SER 2 HA SER 2 2.212 3.598 -2.044 6 HB2 SER 2 1HB SER 2 4.488 2.848 -3.296 7 HB3 SER 2 2HB SER 2 3.796 3.913 -4.534 8 HG SER 2 HG SER 2 3.504 5.448 -2.725 9 H ARG 3 H ARG 3 1.241 2.349 -5.196 10 HA ARG 3 HA ARG 3 0.719 4.867 -6.382 11 HB2 ARG 3 1HB ARG 3 -0.650 2.260 -7.087 12 HB3 ARG 3 2HB ARG 3 -0.388 3.656 -8.124 13 HG2 ARG 3 1HG ARG 3 1.695 1.714 -7.074 14 HG3 ARG 3 2HG ARG 3 1.114 1.879 -8.732 15 HD2 ARG 3 1HD ARG 3 2.000 4.284 -8.632 16 HD3 ARG 3 2HD ARG 3 2.849 3.797 -7.159 17 HE ARG 3 HE ARG 3 3.435 2.983 -9.916 18 HH11 ARG 3 1HH1 ARG 3 4.084 2.310 -6.500 19 HH12 ARG 3 2HH1 ARG 3 5.532 1.394 -6.886 20 HH21 ARG 3 1HH2 ARG 3 5.277 1.853 -10.303 21 HH22 ARG 3 2HH2 ARG 3 6.206 1.161 -8.984 22 H GLY 4 H GLY 4 -1.877 2.579 -5.510 23 HA2 GLY 4 1HA GLY 4 -3.715 4.910 -5.356 24 HA3 GLY 4 2HA GLY 4 -4.182 3.202 -5.493 25 H TRP 5 H TRP 5 -5.634 4.186 -3.569 26 HA TRP 5 HA TRP 5 -4.098 4.151 -1.063 27 HB2 TRP 5 1HB TRP 5 -7.062 4.410 -1.037 28 HB3 TRP 5 2HB TRP 5 -5.842 5.262 -0.092 29 HD1 TRP 5 HD1 TRP 5 -8.268 5.889 -2.739 30 HE1 TRP 5 HE1 TRP 5 -7.853 8.097 -3.948 31 HE3 TRP 5 HE3 TRP 5 -3.446 6.599 -1.271 32 HZ2 TRP 5 HZ2 TRP 5 -5.735 10.001 -4.112 33 HZ3 TRP 5 HZ3 TRP 5 -2.269 8.663 -1.973 34 HH2 TRP 5 HH2 TRP 5 -3.416 10.350 -3.371 35 H GLY 6 H GLY 6 -4.487 2.790 0.727 36 HA2 GLY 6 1HA GLY 6 -6.681 1.124 1.021 37 HA3 GLY 6 2HA GLY 6 -5.514 0.170 0.116 38 H PHE 7 H PHE 7 -5.427 -1.359 1.753 39 HA PHE 7 HA PHE 7 -4.766 -0.551 4.486 40 HB2 PHE 7 1HB PHE 7 -5.355 -3.184 3.099 41 HB3 PHE 7 2HB PHE 7 -4.790 -3.108 4.765 42 HD1 PHE 7 HD1 PHE 7 -7.004 -0.322 3.896 43 HD2 PHE 7 HD2 PHE 7 -6.858 -4.390 5.222 44 HE1 PHE 7 HE1 PHE 7 -9.309 -0.144 4.691 45 HE2 PHE 7 HE2 PHE 7 -9.167 -4.200 6.045 46 HZ PHE 7 HZ PHE 7 -10.411 -2.079 5.769 47 H GLU 8 H GLU 8 -2.919 -1.413 1.732 48 HA GLU 8 HA GLU 8 -0.746 -2.786 3.020 49 HB2 GLU 8 1HB GLU 8 -1.198 -2.693 0.504 50 HB3 GLU 8 2HB GLU 8 -0.740 -0.995 0.544 51 HG2 GLU 8 1HG GLU 8 1.538 -1.779 1.503 52 HG3 GLU 8 2HG GLU 8 1.067 -3.402 0.997 53 HA PRO 9 HA PRO 9 1.165 0.795 4.968 54 HB2 PRO 9 1HB PRO 9 3.699 -0.256 5.279 55 HB3 PRO 9 2HB PRO 9 2.328 -0.675 6.357 56 HG2 PRO 9 1HG PRO 9 3.389 -2.176 3.970 57 HG3 PRO 9 2HG PRO 9 2.984 -2.794 5.601 58 HD2 PRO 9 1HD PRO 9 1.291 -3.055 3.526 59 HD3 PRO 9 2HD PRO 9 0.677 -2.713 5.180 60 H GLY 10 H GLY 10 2.358 2.517 4.158 61 HA2 GLY 10 1HA GLY 10 3.461 3.706 2.433 62 HA3 GLY 10 2HA GLY 10 3.511 2.237 1.441 63 H VAL 11 H VAL 11 0.537 2.179 2.671 64 HA VAL 11 HA VAL 11 -1.556 2.777 2.114 65 HB VAL 11 HB VAL 11 -0.367 5.249 0.799 66 HG11 VAL 11 1HG1 VAL 11 -3.188 4.508 1.656 67 HG12 VAL 11 2HG1 VAL 11 -2.668 6.164 1.261 68 HG13 VAL 11 3HG1 VAL 11 -2.599 4.903 0.019 69 HG21 VAL 11 1HG2 VAL 11 -1.413 4.766 3.618 70 HG22 VAL 11 2HG2 VAL 11 0.262 5.152 3.156 71 HG23 VAL 11 3HG2 VAL 11 -1.016 6.359 2.933 72 H ARG 12 H ARG 12 -1.875 0.999 0.878 73 HA ARG 12 HA ARG 12 -2.644 1.652 -1.845 74 HB2 ARG 12 1HB ARG 12 -0.070 0.631 -1.462 75 HB3 ARG 12 2HB ARG 12 -1.011 -0.788 -1.916 76 HG2 ARG 12 1HG ARG 12 -0.849 1.784 -3.521 77 HG3 ARG 12 2HG ARG 12 0.114 0.326 -3.811 78 HD2 ARG 12 1HD ARG 12 -2.148 -0.905 -3.988 79 HD3 ARG 12 2HD ARG 12 -2.853 0.707 -4.168 80 HE ARG 12 HE ARG 12 -1.940 0.869 -6.298 81 HH11 ARG 12 1HH1 ARG 12 -0.559 -1.993 -4.718 82 HH12 ARG 12 2HH1 ARG 12 0.153 -2.560 -6.216 83 HH21 ARG 12 1HH2 ARG 12 -1.064 0.044 -8.139 84 HH22 ARG 12 2HH2 ARG 12 -0.111 -1.430 -8.099 85 H CYS 13 H CYS 13 -4.202 0.202 -2.719 86 HA CYS 13 HA CYS 13 -5.188 -1.892 -0.932 87 HB2 CYS 13 1HB CYS 13 -6.676 -0.594 -2.477 88 HB3 CYS 13 2HB CYS 13 -5.874 -1.388 -3.849 89 H LEU 14 H LEU 14 -4.338 -3.866 -0.751 90 HA LEU 14 HA LEU 14 -3.114 -5.111 -3.150 91 HB2 LEU 14 1HB LEU 14 -1.544 -3.981 -1.322 92 HB3 LEU 14 2HB LEU 14 -1.853 -5.461 -0.444 93 HG LEU 14 HG LEU 14 0.271 -5.470 -1.570 94 HD11 LEU 14 1HD1 LEU 14 -1.629 -7.458 -2.855 95 HD12 LEU 14 2HD1 LEU 14 0.135 -7.621 -2.720 96 HD13 LEU 14 3HD1 LEU 14 -0.866 -7.619 -1.255 97 HD21 LEU 14 1HD2 LEU 14 0.536 -5.471 -3.964 98 HD22 LEU 14 2HD2 LEU 14 -1.221 -5.383 -4.212 99 HD23 LEU 14 3HD2 LEU 14 -0.352 -4.010 -3.482 100 H ILE 15 H ILE 15 -4.137 -5.603 0.260 101 HA ILE 15 HA ILE 15 -5.414 -8.150 -0.620 102 HB ILE 15 HB ILE 15 -4.186 -7.584 2.112 103 HG12 ILE 15 1HG1 ILE 15 -3.209 -9.397 -0.117 104 HG13 ILE 15 2HG1 ILE 15 -2.494 -7.847 0.310 105 HG21 ILE 15 1HG2 ILE 15 -4.660 -9.992 2.511 106 HG22 ILE 15 2HG2 ILE 15 -6.131 -9.062 2.201 107 HG23 ILE 15 3HG2 ILE 15 -5.450 -10.088 0.919 108 HD11 ILE 15 1HD1 ILE 15 -2.000 -8.746 2.592 109 HD12 ILE 15 2HD1 ILE 15 -2.512 -10.348 2.004 110 HD13 ILE 15 3HD1 ILE 15 -1.124 -9.528 1.258 111 H TRP 16 H TRP 16 -7.521 -7.999 -0.529 112 HA TRP 16 HA TRP 16 -9.576 -7.004 -0.153 113 HB2 TRP 16 1HB TRP 16 -9.027 -7.905 2.664 114 HB3 TRP 16 2HB TRP 16 -10.528 -7.981 1.739 115 HD1 TRP 16 HD1 TRP 16 -8.080 -10.240 3.013 116 HE1 TRP 16 HE1 TRP 16 -7.778 -12.391 1.672 117 HE3 TRP 16 HE3 TRP 16 -10.580 -8.803 -1.195 118 HZ2 TRP 16 HZ2 TRP 16 -8.368 -13.269 -0.968 119 HZ3 TRP 16 HZ3 TRP 16 -10.684 -10.365 -3.110 120 HH2 TRP 16 HH2 TRP 16 -9.577 -12.574 -2.997 121 H CYS 17 H CYS 17 -8.419 -4.716 -0.334 122 HA CYS 17 HA CYS 17 -8.463 -3.179 2.120 123 HB2 CYS 17 1HB CYS 17 -8.125 -1.265 0.667 124 HB3 CYS 17 2HB CYS 17 -7.061 -2.593 0.171 125 H ASP 18 H ASP 18 -9.853 -1.294 2.481 126 HA ASP 18 HA ASP 18 -12.669 -1.764 1.953 127 HB2 ASP 18 1HB ASP 18 -11.875 -0.532 3.993 128 HB3 ASP 18 2HB ASP 18 -11.297 0.776 2.953 129 HC ASP 18 HC ASP 18 -12.974 -0.500 -0.083 Start of MODEL 14 1 H1 GLY 1 H GLY 1 2.598 -0.607 0.585 2 HA2 GLY 1 1HA GLY 1 1.323 -0.499 -1.987 3 HA3 GLY 1 2HA GLY 1 0.618 0.672 -0.889 4 H SER 2 H SER 2 1.087 1.960 -2.766 5 HA SER 2 HA SER 2 3.331 3.655 -2.277 6 HB2 SER 2 1HB SER 2 4.134 1.478 -3.653 7 HB3 SER 2 2HB SER 2 3.603 2.495 -5.005 8 HG SER 2 HG SER 2 5.865 2.721 -4.192 9 H ARG 3 H ARG 3 1.037 2.558 -4.808 10 HA ARG 3 HA ARG 3 0.935 5.278 -5.869 11 HB2 ARG 3 1HB ARG 3 -0.530 2.824 -6.877 12 HB3 ARG 3 2HB ARG 3 -0.230 4.331 -7.741 13 HG2 ARG 3 1HG ARG 3 1.798 2.213 -6.956 14 HG3 ARG 3 2HG ARG 3 1.205 2.600 -8.573 15 HD2 ARG 3 1HD ARG 3 2.145 5.001 -8.013 16 HD3 ARG 3 2HD ARG 3 3.100 4.129 -6.814 17 HE ARG 3 HE ARG 3 4.358 3.144 -8.501 18 HH11 ARG 3 1HH1 ARG 3 1.615 4.806 -10.002 19 HH12 ARG 3 2HH1 ARG 3 2.289 4.613 -11.611 20 HH21 ARG 3 1HH2 ARG 3 5.141 2.974 -10.556 21 HH22 ARG 3 2HH2 ARG 3 4.236 3.615 -11.918 22 H GLY 4 H GLY 4 -2.007 3.417 -6.090 23 HA2 GLY 4 1HA GLY 4 -3.443 5.722 -4.996 24 HA3 GLY 4 2HA GLY 4 -4.160 4.270 -5.728 25 H TRP 5 H TRP 5 -5.703 4.372 -3.819 26 HA TRP 5 HA TRP 5 -4.328 4.237 -1.255 27 HB2 TRP 5 1HB TRP 5 -7.299 4.406 -1.463 28 HB3 TRP 5 2HB TRP 5 -6.198 5.170 -0.316 29 HD1 TRP 5 HD1 TRP 5 -8.382 6.122 -3.020 30 HE1 TRP 5 HE1 TRP 5 -7.778 8.355 -4.095 31 HE3 TRP 5 HE3 TRP 5 -3.608 6.474 -1.277 32 HZ2 TRP 5 HZ2 TRP 5 -5.517 10.090 -4.136 33 HZ3 TRP 5 HZ3 TRP 5 -2.253 8.453 -1.891 34 HH2 TRP 5 HH2 TRP 5 -3.209 10.246 -3.300 35 H GLY 6 H GLY 6 -4.508 2.824 0.397 36 HA2 GLY 6 1HA GLY 6 -6.686 1.160 0.840 37 HA3 GLY 6 2HA GLY 6 -5.548 0.186 -0.078 38 H PHE 7 H PHE 7 -4.124 -1.026 1.121 39 HA PHE 7 HA PHE 7 -4.677 -0.593 4.009 40 HB2 PHE 7 1HB PHE 7 -5.185 -2.811 2.150 41 HB3 PHE 7 2HB PHE 7 -4.417 -3.322 3.654 42 HD1 PHE 7 HD1 PHE 7 -6.922 -0.605 3.028 43 HD2 PHE 7 HD2 PHE 7 -6.082 -4.347 4.912 44 HE1 PHE 7 HE1 PHE 7 -9.046 -0.454 4.267 45 HE2 PHE 7 HE2 PHE 7 -8.249 -4.248 6.080 46 HZ PHE 7 HZ PHE 7 -9.735 -2.295 5.770 47 H GLU 8 H GLU 8 -2.204 -2.060 1.830 48 HA GLU 8 HA GLU 8 -0.570 -2.717 4.148 49 HB2 GLU 8 1HB GLU 8 0.426 -4.121 2.724 50 HB3 GLU 8 2HB GLU 8 -0.620 -3.553 1.437 51 HG2 GLU 8 1HG GLU 8 2.010 -2.132 2.122 52 HG3 GLU 8 2HG GLU 8 1.929 -3.494 1.020 53 HA PRO 9 HA PRO 9 1.334 1.084 4.864 54 HB2 PRO 9 1HB PRO 9 3.949 0.355 5.453 55 HB3 PRO 9 2HB PRO 9 2.573 0.128 6.577 56 HG2 PRO 9 1HG PRO 9 3.791 -1.860 4.666 57 HG3 PRO 9 2HG PRO 9 3.391 -2.062 6.402 58 HD2 PRO 9 1HD PRO 9 1.747 -2.978 4.501 59 HD3 PRO 9 2HD PRO 9 1.073 -2.173 5.963 60 H GLY 10 H GLY 10 2.263 2.695 3.722 61 HA2 GLY 10 1HA GLY 10 3.495 3.577 1.849 62 HA3 GLY 10 2HA GLY 10 3.523 1.962 1.119 63 H VAL 11 H VAL 11 0.620 1.732 2.142 64 HA VAL 11 HA VAL 11 -1.508 2.286 1.664 65 HB VAL 11 HB VAL 11 -0.407 4.867 0.492 66 HG11 VAL 11 1HG1 VAL 11 -3.204 4.013 1.317 67 HG12 VAL 11 2HG1 VAL 11 -2.718 5.694 0.985 68 HG13 VAL 11 3HG1 VAL 11 -2.628 4.483 -0.307 69 HG21 VAL 11 1HG2 VAL 11 -1.090 5.811 2.697 70 HG22 VAL 11 2HG2 VAL 11 -1.430 4.163 3.273 71 HG23 VAL 11 3HG2 VAL 11 0.229 4.636 2.836 72 H ARG 12 H ARG 12 -1.862 0.590 0.316 73 HA ARG 12 HA ARG 12 -2.963 1.510 -2.206 74 HB2 ARG 12 1HB ARG 12 -0.575 0.871 -2.799 75 HB3 ARG 12 2HB ARG 12 -0.947 -0.763 -2.245 76 HG2 ARG 12 1HG ARG 12 -1.081 -0.881 -4.552 77 HG3 ARG 12 2HG ARG 12 -2.772 -0.795 -4.050 78 HD2 ARG 12 1HD ARG 12 -2.777 1.630 -4.512 79 HD3 ARG 12 2HD ARG 12 -1.083 1.541 -4.999 80 HE ARG 12 HE ARG 12 -3.418 0.787 -6.554 81 HH11 ARG 12 1HH1 ARG 12 0.038 0.101 -6.201 82 HH12 ARG 12 2HH1 ARG 12 0.184 -0.380 -7.884 83 HH21 ARG 12 1HH2 ARG 12 -3.149 0.123 -8.635 84 HH22 ARG 12 2HH2 ARG 12 -1.578 -0.393 -9.219 85 H CYS 13 H CYS 13 -4.695 0.119 -2.853 86 HA CYS 13 HA CYS 13 -5.572 -1.954 -1.063 87 HB2 CYS 13 1HB CYS 13 -7.063 -0.806 -2.708 88 HB3 CYS 13 2HB CYS 13 -6.188 -1.621 -4.023 89 H LEU 14 H LEU 14 -4.615 -3.844 -0.703 90 HA LEU 14 HA LEU 14 -3.133 -5.148 -2.931 91 HB2 LEU 14 1HB LEU 14 -2.000 -3.846 -0.726 92 HB3 LEU 14 2HB LEU 14 -1.997 -5.531 -0.251 93 HG LEU 14 HG LEU 14 0.116 -4.845 -1.156 94 HD11 LEU 14 1HD1 LEU 14 -0.621 -7.177 -1.450 95 HD12 LEU 14 2HD1 LEU 14 -1.304 -6.760 -3.040 96 HD13 LEU 14 3HD1 LEU 14 0.449 -6.650 -2.766 97 HD21 LEU 14 1HD2 LEU 14 -1.271 -4.368 -3.815 98 HD22 LEU 14 2HD2 LEU 14 -0.696 -3.096 -2.712 99 HD23 LEU 14 3HD2 LEU 14 0.465 -4.214 -3.462 100 H ILE 15 H ILE 15 -4.380 -5.570 0.415 101 HA ILE 15 HA ILE 15 -5.453 -8.213 -0.439 102 HB ILE 15 HB ILE 15 -4.227 -7.575 2.279 103 HG12 ILE 15 1HG1 ILE 15 -3.179 -9.356 0.056 104 HG13 ILE 15 2HG1 ILE 15 -2.546 -7.760 0.444 105 HG21 ILE 15 1HG2 ILE 15 -4.562 -10.012 2.680 106 HG22 ILE 15 2HG2 ILE 15 -6.082 -9.150 2.408 107 HG23 ILE 15 3HG2 ILE 15 -5.384 -10.140 1.106 108 HD11 ILE 15 1HD1 ILE 15 -1.963 -8.582 2.730 109 HD12 ILE 15 2HD1 ILE 15 -2.403 -10.222 2.189 110 HD13 ILE 15 3HD1 ILE 15 -1.072 -9.350 1.397 111 H TRP 16 H TRP 16 -7.579 -8.178 -0.300 112 HA TRP 16 HA TRP 16 -9.678 -7.296 0.103 113 HB2 TRP 16 1HB TRP 16 -8.963 -8.016 2.940 114 HB3 TRP 16 2HB TRP 16 -10.517 -8.169 2.114 115 HD1 TRP 16 HD1 TRP 16 -7.922 -10.317 3.312 116 HE1 TRP 16 HE1 TRP 16 -7.634 -12.503 2.025 117 HE3 TRP 16 HE3 TRP 16 -10.776 -9.127 -0.745 118 HZ2 TRP 16 HZ2 TRP 16 -8.354 -13.485 -0.546 119 HZ3 TRP 16 HZ3 TRP 16 -10.950 -10.757 -2.597 120 HH2 TRP 16 HH2 TRP 16 -9.734 -12.909 -2.501 121 H CYS 17 H CYS 17 -8.665 -4.996 -0.285 122 HA CYS 17 HA CYS 17 -8.503 -3.328 2.068 123 HB2 CYS 17 1HB CYS 17 -8.190 -1.521 0.493 124 HB3 CYS 17 2HB CYS 17 -7.231 -2.926 -0.005 125 H ASP 18 H ASP 18 -9.749 -1.368 2.412 126 HA ASP 18 HA ASP 18 -12.631 -1.698 2.087 127 HB2 ASP 18 1HB ASP 18 -11.648 -0.552 4.095 128 HB3 ASP 18 2HB ASP 18 -11.039 0.730 3.040 129 HC ASP 18 HC ASP 18 -12.961 -0.381 0.085 Start of MODEL 15 1 H1 GLY 1 H GLY 1 4.038 -1.441 -0.221 2 HA2 GLY 1 1HA GLY 1 4.157 -0.388 -2.276 3 HA3 GLY 1 2HA GLY 1 2.498 -0.966 -2.411 4 H SER 2 H SER 2 2.156 0.845 -3.893 5 HA SER 2 HA SER 2 0.917 3.014 -2.447 6 HB2 SER 2 1HB SER 2 3.406 3.594 -2.530 7 HB3 SER 2 2HB SER 2 3.157 3.835 -4.273 8 HG SER 2 HG SER 2 1.741 5.135 -2.159 9 H ARG 3 H ARG 3 -0.119 1.185 -4.243 10 HA ARG 3 HA ARG 3 -0.918 2.935 -6.489 11 HB2 ARG 3 1HB ARG 3 -1.883 0.131 -5.835 12 HB3 ARG 3 2HB ARG 3 -2.191 1.044 -7.314 13 HG2 ARG 3 1HG ARG 3 0.453 -0.091 -6.360 14 HG3 ARG 3 2HG ARG 3 -0.516 -0.603 -7.747 15 HD2 ARG 3 1HD ARG 3 -0.203 1.967 -8.413 16 HD3 ARG 3 2HD ARG 3 1.236 1.796 -7.400 17 HE ARG 3 HE ARG 3 1.338 -0.394 -9.084 18 HH11 ARG 3 1HH1 ARG 3 1.154 3.093 -9.660 19 HH12 ARG 3 2HH1 ARG 3 1.932 2.950 -11.225 20 HH21 ARG 3 1HH2 ARG 3 2.364 -0.477 -11.035 21 HH22 ARG 3 2HH2 ARG 3 2.638 0.986 -11.968 22 H GLY 4 H GLY 4 -3.457 0.925 -5.305 23 HA2 GLY 4 1HA GLY 4 -4.970 3.393 -4.722 24 HA3 GLY 4 2HA GLY 4 -5.644 1.784 -5.020 25 H TRP 5 H TRP 5 -6.078 3.770 -2.773 26 HA TRP 5 HA TRP 5 -4.143 3.430 -0.792 27 HB2 TRP 5 1HB TRP 5 -6.969 4.297 -0.194 28 HB3 TRP 5 2HB TRP 5 -5.466 4.892 0.507 29 HD1 TRP 5 HD1 TRP 5 -8.026 5.925 -1.852 30 HE1 TRP 5 HE1 TRP 5 -7.272 7.827 -3.379 31 HE3 TRP 5 HE3 TRP 5 -3.005 5.461 -1.127 32 HZ2 TRP 5 HZ2 TRP 5 -4.793 9.027 -4.122 33 HZ3 TRP 5 HZ3 TRP 5 -1.476 7.021 -2.291 34 HH2 TRP 5 HH2 TRP 5 -2.371 8.793 -3.766 35 H GLY 6 H GLY 6 -4.044 2.512 1.249 36 HA2 GLY 6 1HA GLY 6 -6.118 1.249 2.618 37 HA3 GLY 6 2HA GLY 6 -5.387 0.009 1.598 38 H PHE 7 H PHE 7 -4.361 -1.270 2.966 39 HA PHE 7 HA PHE 7 -2.885 -0.283 5.266 40 HB2 PHE 7 1HB PHE 7 -3.544 -2.921 4.018 41 HB3 PHE 7 2HB PHE 7 -2.165 -2.868 5.112 42 HD1 PHE 7 HD1 PHE 7 -5.720 -1.707 4.980 43 HD2 PHE 7 HD2 PHE 7 -2.507 -3.165 7.383 44 HE1 PHE 7 HE1 PHE 7 -7.258 -1.914 6.901 45 HE2 PHE 7 HE2 PHE 7 -4.024 -3.337 9.317 46 HZ PHE 7 HZ PHE 7 -6.410 -2.734 9.077 47 H GLU 8 H GLU 8 -0.556 -1.909 5.178 48 HA GLU 8 HA GLU 8 1.611 -1.856 4.522 49 HB2 GLU 8 1HB GLU 8 0.981 -2.854 2.436 50 HB3 GLU 8 2HB GLU 8 0.324 -1.361 1.814 51 HG2 GLU 8 1HG GLU 8 3.125 -0.875 2.405 52 HG3 GLU 8 2HG GLU 8 3.000 -2.393 1.530 53 HA PRO 9 HA PRO 9 2.668 2.437 5.065 54 HB2 PRO 9 1HB PRO 9 5.416 2.170 4.850 55 HB3 PRO 9 2HB PRO 9 4.504 1.760 6.338 56 HG2 PRO 9 1HG PRO 9 5.446 -0.061 4.132 57 HG3 PRO 9 2HG PRO 9 5.594 -0.266 5.905 58 HD2 PRO 9 1HD PRO 9 3.676 -1.510 4.493 59 HD3 PRO 9 2HD PRO 9 3.337 -0.862 6.136 60 H GLY 10 H GLY 10 2.634 3.969 3.536 61 HA2 GLY 10 1HA GLY 10 3.232 4.897 1.384 62 HA3 GLY 10 2HA GLY 10 3.505 3.258 0.773 63 H VAL 11 H VAL 11 0.959 2.615 2.479 64 HA VAL 11 HA VAL 11 -1.277 2.701 2.446 65 HB VAL 11 HB VAL 11 -1.139 5.260 0.817 66 HG11 VAL 11 1HG1 VAL 11 -3.370 4.257 1.054 67 HG12 VAL 11 2HG1 VAL 11 -3.164 4.182 2.820 68 HG13 VAL 11 3HG1 VAL 11 -3.246 5.755 1.993 69 HG21 VAL 11 1HG2 VAL 11 0.320 5.591 2.720 70 HG22 VAL 11 2HG2 VAL 11 -1.217 6.404 3.054 71 HG23 VAL 11 3HG2 VAL 11 -0.861 4.836 3.817 72 H ARG 12 H ARG 12 -1.207 0.791 1.233 73 HA ARG 12 HA ARG 12 -2.732 1.085 -1.274 74 HB2 ARG 12 1HB ARG 12 -0.232 0.866 -1.742 75 HB3 ARG 12 2HB ARG 12 -0.363 -0.784 -1.132 76 HG2 ARG 12 1HG ARG 12 -2.055 0.241 -3.417 77 HG3 ARG 12 2HG ARG 12 -0.437 -0.448 -3.643 78 HD2 ARG 12 1HD ARG 12 -1.313 -2.472 -2.323 79 HD3 ARG 12 2HD ARG 12 -2.920 -1.810 -2.634 80 HE ARG 12 HE ARG 12 -1.086 -3.004 -4.594 81 HH11 ARG 12 1HH1 ARG 12 -4.098 -1.194 -4.116 82 HH12 ARG 12 2HH1 ARG 12 -4.682 -1.603 -5.718 83 HH21 ARG 12 1HH2 ARG 12 -1.915 -3.500 -6.568 84 HH22 ARG 12 2HH2 ARG 12 -3.483 -2.883 -7.069 85 H CYS 13 H CYS 13 -4.446 -0.173 -1.214 86 HA CYS 13 HA CYS 13 -4.882 -2.155 0.816 87 HB2 CYS 13 1HB CYS 13 -6.342 -0.876 -1.327 88 HB3 CYS 13 2HB CYS 13 -6.618 -2.613 -1.384 89 H LEU 14 H LEU 14 -3.571 -3.919 0.872 90 HA LEU 14 HA LEU 14 -2.663 -5.320 -1.477 91 HB2 LEU 14 1HB LEU 14 -2.444 -5.516 1.417 92 HB3 LEU 14 2HB LEU 14 -2.782 -7.092 0.729 93 HG LEU 14 HG LEU 14 -0.410 -6.712 1.116 94 HD11 LEU 14 1HD1 LEU 14 -1.065 -6.925 -1.842 95 HD12 LEU 14 2HD1 LEU 14 0.411 -7.500 -1.033 96 HD13 LEU 14 3HD1 LEU 14 -1.154 -8.251 -0.662 97 HD21 LEU 14 1HD2 LEU 14 -0.538 -4.606 -1.066 98 HD22 LEU 14 2HD2 LEU 14 -0.370 -4.267 0.672 99 HD23 LEU 14 3HD2 LEU 14 0.903 -5.163 -0.185 100 H ILE 15 H ILE 15 -5.554 -5.448 0.457 101 HA ILE 15 HA ILE 15 -6.501 -7.942 -0.795 102 HB ILE 15 HB ILE 15 -8.427 -6.182 0.663 103 HG12 ILE 15 1HG1 ILE 15 -6.285 -7.717 2.168 104 HG13 ILE 15 2HG1 ILE 15 -6.340 -5.955 2.028 105 HG21 ILE 15 1HG2 ILE 15 -9.200 -8.345 1.540 106 HG22 ILE 15 2HG2 ILE 15 -9.033 -8.424 -0.215 107 HG23 ILE 15 3HG2 ILE 15 -7.791 -9.158 0.822 108 HD11 ILE 15 1HD1 ILE 15 -8.319 -7.708 3.480 109 HD12 ILE 15 2HD1 ILE 15 -7.201 -6.503 4.153 110 HD13 ILE 15 3HD1 ILE 15 -8.570 -5.975 3.149 111 H TRP 16 H TRP 16 -8.782 -7.749 -1.835 112 HA TRP 16 HA TRP 16 -8.705 -5.832 -3.980 113 HB2 TRP 16 1HB TRP 16 -11.233 -6.862 -4.068 114 HB3 TRP 16 2HB TRP 16 -9.812 -7.608 -4.793 115 HD1 TRP 16 HD1 TRP 16 -12.261 -8.073 -1.900 116 HE1 TRP 16 HE1 TRP 16 -11.907 -10.347 -0.782 117 HE3 TRP 16 HE3 TRP 16 -7.923 -9.330 -4.241 118 HZ2 TRP 16 HZ2 TRP 16 -9.958 -12.421 -0.893 119 HZ3 TRP 16 HZ3 TRP 16 -6.839 -11.493 -3.684 120 HH2 TRP 16 HH2 TRP 16 -7.854 -13.015 -2.020 121 H CYS 17 H CYS 17 -8.536 -3.940 -2.593 122 HA CYS 17 HA CYS 17 -11.155 -2.700 -2.163 123 HB2 CYS 17 1HB CYS 17 -10.530 -1.999 0.157 124 HB3 CYS 17 2HB CYS 17 -10.859 -3.716 -0.042 125 H ASP 18 H ASP 18 -10.691 -0.340 -1.291 126 HA ASP 18 HA ASP 18 -9.819 1.208 -3.298 127 HB2 ASP 18 1HB ASP 18 -10.735 2.062 -1.117 128 HB3 ASP 18 2HB ASP 18 -9.151 1.820 -0.379 129 HC ASP 18 HC ASP 18 -7.099 0.810 -1.886 Start of MODEL 16 1 H1 GLY 1 H GLY 1 2.463 -0.552 0.203 2 HA2 GLY 1 1HA GLY 1 3.833 -0.766 -1.986 3 HA3 GLY 1 2HA GLY 1 2.247 -0.985 -2.739 4 H SER 2 H SER 2 3.149 0.990 -3.949 5 HA SER 2 HA SER 2 2.967 3.461 -2.317 6 HB2 SER 2 1HB SER 2 4.217 2.932 -5.031 7 HB3 SER 2 2HB SER 2 4.272 4.462 -4.137 8 HG SER 2 HG SER 2 6.151 3.288 -3.726 9 H ARG 3 H ARG 3 1.298 1.901 -4.934 10 HA ARG 3 HA ARG 3 0.273 4.389 -6.049 11 HB2 ARG 3 1HB ARG 3 -0.812 1.618 -6.590 12 HB3 ARG 3 2HB ARG 3 -0.865 3.037 -7.632 13 HG2 ARG 3 1HG ARG 3 1.552 1.326 -6.974 14 HG3 ARG 3 2HG ARG 3 0.696 1.447 -8.513 15 HD2 ARG 3 1HD ARG 3 1.334 3.937 -8.488 16 HD3 ARG 3 2HD ARG 3 2.425 3.531 -7.164 17 HE ARG 3 HE ARG 3 3.838 2.412 -8.626 18 HH11 ARG 3 1HH1 ARG 3 0.900 3.310 -10.393 19 HH12 ARG 3 2HH1 ARG 3 1.620 2.888 -11.936 20 HH21 ARG 3 1HH2 ARG 3 4.662 1.928 -10.607 21 HH22 ARG 3 2HH2 ARG 3 3.695 2.133 -12.057 22 H GLY 4 H GLY 4 -2.440 3.709 -6.556 23 HA2 GLY 4 1HA GLY 4 -3.412 5.265 -4.459 24 HA3 GLY 4 2HA GLY 4 -4.408 4.424 -5.639 25 H TRP 5 H TRP 5 -5.580 4.827 -3.304 26 HA TRP 5 HA TRP 5 -3.975 4.009 -1.146 27 HB2 TRP 5 1HB TRP 5 -6.870 4.656 -0.773 28 HB3 TRP 5 2HB TRP 5 -5.472 5.193 0.152 29 HD1 TRP 5 HD1 TRP 5 -7.949 6.537 -2.106 30 HE1 TRP 5 HE1 TRP 5 -7.249 8.734 -3.198 31 HE3 TRP 5 HE3 TRP 5 -2.944 6.223 -1.179 32 HZ2 TRP 5 HZ2 TRP 5 -4.819 10.162 -3.603 33 HZ3 TRP 5 HZ3 TRP 5 -1.468 8.046 -1.969 34 HH2 TRP 5 HH2 TRP 5 -2.405 10.000 -3.162 35 H GLY 6 H GLY 6 -4.376 2.703 0.698 36 HA2 GLY 6 1HA GLY 6 -6.639 1.110 1.081 37 HA3 GLY 6 2HA GLY 6 -5.512 0.139 0.137 38 H PHE 7 H PHE 7 -5.396 -1.383 1.830 39 HA PHE 7 HA PHE 7 -4.573 -0.502 4.485 40 HB2 PHE 7 1HB PHE 7 -5.076 -3.256 3.304 41 HB3 PHE 7 2HB PHE 7 -4.693 -2.940 4.996 42 HD1 PHE 7 HD1 PHE 7 -6.645 -0.189 4.495 43 HD2 PHE 7 HD2 PHE 7 -7.003 -4.454 4.402 44 HE1 PHE 7 HE1 PHE 7 -9.010 -0.003 5.099 45 HE2 PHE 7 HE2 PHE 7 -9.376 -4.264 5.021 46 HZ PHE 7 HZ PHE 7 -10.384 -2.039 5.399 47 H GLU 8 H GLU 8 -2.822 -1.610 1.707 48 HA GLU 8 HA GLU 8 -0.625 -2.864 3.061 49 HB2 GLU 8 1HB GLU 8 -1.062 -2.939 0.545 50 HB3 GLU 8 2HB GLU 8 -0.651 -1.230 0.478 51 HG2 GLU 8 1HG GLU 8 1.641 -1.931 1.535 52 HG3 GLU 8 2HG GLU 8 1.212 -3.566 1.027 53 HA PRO 9 HA PRO 9 1.204 0.797 4.893 54 HB2 PRO 9 1HB PRO 9 3.816 -0.122 5.073 55 HB3 PRO 9 2HB PRO 9 2.526 -0.575 6.232 56 HG2 PRO 9 1HG PRO 9 3.514 -2.085 3.818 57 HG3 PRO 9 2HG PRO 9 3.226 -2.681 5.483 58 HD2 PRO 9 1HD PRO 9 1.427 -3.076 3.538 59 HD3 PRO 9 2HD PRO 9 0.886 -2.662 5.200 60 H GLY 10 H GLY 10 2.181 2.593 4.023 61 HA2 GLY 10 1HA GLY 10 3.180 3.812 2.219 62 HA3 GLY 10 2HA GLY 10 3.083 2.371 1.194 63 H VAL 11 H VAL 11 0.288 2.211 2.701 64 HA VAL 11 HA VAL 11 -1.864 2.763 2.370 65 HB VAL 11 HB VAL 11 -1.019 5.395 1.112 66 HG11 VAL 11 1HG1 VAL 11 -3.403 4.786 0.916 67 HG12 VAL 11 2HG1 VAL 11 -3.488 4.522 2.674 68 HG13 VAL 11 3HG1 VAL 11 -3.180 6.151 2.026 69 HG21 VAL 11 1HG2 VAL 11 -1.240 6.319 3.433 70 HG22 VAL 11 2HG2 VAL 11 -1.305 4.653 4.051 71 HG23 VAL 11 3HG2 VAL 11 0.156 5.249 3.229 72 H ARG 12 H ARG 12 -1.645 0.966 0.893 73 HA ARG 12 HA ARG 12 -2.571 1.742 -1.819 74 HB2 ARG 12 1HB ARG 12 -0.290 1.438 -2.228 75 HB3 ARG 12 2HB ARG 12 -0.160 0.099 -1.103 76 HG2 ARG 12 1HG ARG 12 0.089 -0.770 -3.298 77 HG3 ARG 12 2HG ARG 12 -1.476 -1.325 -2.690 78 HD2 ARG 12 1HD ARG 12 -2.630 0.370 -3.970 79 HD3 ARG 12 2HD ARG 12 -1.099 1.103 -4.464 80 HE ARG 12 HE ARG 12 -0.878 -1.459 -5.400 81 HH11 ARG 12 1HH1 ARG 12 -3.439 0.954 -5.762 82 HH12 ARG 12 2HH1 ARG 12 -3.896 0.344 -7.346 83 HH21 ARG 12 1HH2 ARG 12 -1.531 -2.178 -7.383 84 HH22 ARG 12 2HH2 ARG 12 -2.844 -1.388 -8.241 85 H CYS 13 H CYS 13 -4.196 0.430 -2.616 86 HA CYS 13 HA CYS 13 -5.153 -1.758 -0.956 87 HB2 CYS 13 1HB CYS 13 -6.662 -0.391 -2.402 88 HB3 CYS 13 2HB CYS 13 -5.874 -1.094 -3.830 89 H LEU 14 H LEU 14 -4.277 -3.709 -0.828 90 HA LEU 14 HA LEU 14 -3.162 -4.923 -3.296 91 HB2 LEU 14 1HB LEU 14 -1.524 -3.833 -1.505 92 HB3 LEU 14 2HB LEU 14 -1.807 -5.327 -0.643 93 HG LEU 14 HG LEU 14 0.274 -5.330 -1.840 94 HD11 LEU 14 1HD1 LEU 14 -0.871 -7.475 -1.538 95 HD12 LEU 14 2HD1 LEU 14 -1.683 -7.272 -3.110 96 HD13 LEU 14 3HD1 LEU 14 0.083 -7.451 -3.035 97 HD21 LEU 14 1HD2 LEU 14 -0.400 -3.819 -3.696 98 HD22 LEU 14 2HD2 LEU 14 0.459 -5.274 -4.244 99 HD23 LEU 14 3HD2 LEU 14 -1.306 -5.165 -4.429 100 H ILE 15 H ILE 15 -4.055 -5.490 0.143 101 HA ILE 15 HA ILE 15 -5.348 -8.025 -0.746 102 HB ILE 15 HB ILE 15 -4.044 -7.502 1.959 103 HG12 ILE 15 1HG1 ILE 15 -3.130 -9.267 -0.337 104 HG13 ILE 15 2HG1 ILE 15 -2.407 -7.724 0.102 105 HG21 ILE 15 1HG2 ILE 15 -5.978 -8.990 2.083 106 HG22 ILE 15 2HG2 ILE 15 -5.337 -9.988 0.760 107 HG23 ILE 15 3HG2 ILE 15 -4.494 -9.921 2.326 108 HD11 ILE 15 1HD1 ILE 15 -2.365 -10.262 1.740 109 HD12 ILE 15 2HD1 ILE 15 -1.003 -9.422 0.968 110 HD13 ILE 15 3HD1 ILE 15 -1.838 -8.672 2.346 111 H TRP 16 H TRP 16 -7.448 -7.887 -0.606 112 HA TRP 16 HA TRP 16 -9.505 -6.938 -0.163 113 HB2 TRP 16 1HB TRP 16 -8.845 -7.826 2.636 114 HB3 TRP 16 2HB TRP 16 -10.388 -7.897 1.781 115 HD1 TRP 16 HD1 TRP 16 -7.878 -10.164 2.931 116 HE1 TRP 16 HE1 TRP 16 -7.650 -12.313 1.570 117 HE3 TRP 16 HE3 TRP 16 -10.597 -8.716 -1.134 118 HZ2 TRP 16 HZ2 TRP 16 -8.375 -13.181 -1.038 119 HZ3 TRP 16 HZ3 TRP 16 -10.803 -10.274 -3.046 120 HH2 TRP 16 HH2 TRP 16 -9.692 -12.482 -2.997 121 H CYS 17 H CYS 17 -8.359 -4.627 -0.376 122 HA CYS 17 HA CYS 17 -8.375 -3.091 2.073 123 HB2 CYS 17 1HB CYS 17 -8.111 -1.168 0.630 124 HB3 CYS 17 2HB CYS 17 -7.034 -2.471 0.104 125 H ASP 18 H ASP 18 -9.787 -1.225 2.471 126 HA ASP 18 HA ASP 18 -12.600 -1.865 2.175 127 HB2 ASP 18 1HB ASP 18 -11.689 -0.569 4.137 128 HB3 ASP 18 2HB ASP 18 -11.339 0.777 3.044 129 HC ASP 18 HC ASP 18 -13.124 -0.670 0.144 Start of MODEL 17 1 H1 GLY 1 H GLY 1 2.528 -0.536 0.181 2 HA2 GLY 1 1HA GLY 1 3.811 -0.848 -2.076 3 HA3 GLY 1 2HA GLY 1 2.175 -0.986 -2.737 4 H SER 2 H SER 2 3.023 0.936 -4.019 5 HA SER 2 HA SER 2 3.061 3.418 -2.374 6 HB2 SER 2 1HB SER 2 4.322 2.817 -5.065 7 HB3 SER 2 2HB SER 2 4.484 4.318 -4.137 8 HG SER 2 HG SER 2 6.252 3.045 -3.671 9 H ARG 3 H ARG 3 1.228 1.948 -4.882 10 HA ARG 3 HA ARG 3 0.431 4.477 -6.104 11 HB2 ARG 3 1HB ARG 3 -0.859 1.777 -6.542 12 HB3 ARG 3 2HB ARG 3 -0.845 3.166 -7.624 13 HG2 ARG 3 1HG ARG 3 1.489 1.349 -6.956 14 HG3 ARG 3 2HG ARG 3 0.595 1.449 -8.476 15 HD2 ARG 3 1HD ARG 3 1.327 3.943 -8.479 16 HD3 ARG 3 2HD ARG 3 2.527 3.440 -7.287 17 HE ARG 3 HE ARG 3 2.445 2.771 -10.147 18 HH11 ARG 3 1HH1 ARG 3 3.955 2.005 -7.039 19 HH12 ARG 3 2HH1 ARG 3 5.309 1.200 -7.817 20 HH21 ARG 3 1HH2 ARG 3 4.182 1.761 -11.035 21 HH22 ARG 3 2HH2 ARG 3 5.445 1.080 -10.023 22 H GLY 4 H GLY 4 -2.385 3.629 -6.545 23 HA2 GLY 4 1HA GLY 4 -3.394 5.396 -4.591 24 HA3 GLY 4 2HA GLY 4 -4.358 4.439 -5.711 25 H TRP 5 H TRP 5 -5.493 4.987 -3.353 26 HA TRP 5 HA TRP 5 -3.934 4.181 -1.163 27 HB2 TRP 5 1HB TRP 5 -6.818 4.761 -0.736 28 HB3 TRP 5 2HB TRP 5 -5.399 5.427 0.068 29 HD1 TRP 5 HD1 TRP 5 -8.063 6.463 -2.166 30 HE1 TRP 5 HE1 TRP 5 -7.545 8.615 -3.438 31 HE3 TRP 5 HE3 TRP 5 -3.033 6.577 -1.337 32 HZ2 TRP 5 HZ2 TRP 5 -5.221 10.134 -4.069 33 HZ3 TRP 5 HZ3 TRP 5 -1.700 8.405 -2.340 34 HH2 TRP 5 HH2 TRP 5 -2.791 10.167 -3.689 35 H GLY 6 H GLY 6 -4.371 2.871 0.686 36 HA2 GLY 6 1HA GLY 6 -6.652 1.277 0.977 37 HA3 GLY 6 2HA GLY 6 -5.483 0.307 0.098 38 H PHE 7 H PHE 7 -4.992 -1.222 1.504 39 HA PHE 7 HA PHE 7 -4.662 -0.528 4.360 40 HB2 PHE 7 1HB PHE 7 -5.339 -3.014 2.794 41 HB3 PHE 7 2HB PHE 7 -4.689 -3.147 4.427 42 HD1 PHE 7 HD1 PHE 7 -6.912 -0.282 3.620 43 HD2 PHE 7 HD2 PHE 7 -6.672 -4.256 5.189 44 HE1 PHE 7 HE1 PHE 7 -9.090 0.015 4.699 45 HE2 PHE 7 HE2 PHE 7 -8.883 -3.975 6.229 46 HZ PHE 7 HZ PHE 7 -10.096 -1.830 6.003 47 H GLU 8 H GLU 8 -2.760 -1.735 1.660 48 HA GLU 8 HA GLU 8 -0.589 -2.878 3.130 49 HB2 GLU 8 1HB GLU 8 -0.939 -3.085 0.629 50 HB3 GLU 8 2HB GLU 8 -0.648 -1.358 0.474 51 HG2 GLU 8 1HG GLU 8 1.684 -1.844 1.572 52 HG3 GLU 8 2HG GLU 8 1.371 -3.523 1.126 53 HA PRO 9 HA PRO 9 1.136 0.869 4.882 54 HB2 PRO 9 1HB PRO 9 3.762 0.025 5.144 55 HB3 PRO 9 2HB PRO 9 2.455 -0.447 6.278 56 HG2 PRO 9 1HG PRO 9 3.541 -1.965 3.912 57 HG3 PRO 9 2HG PRO 9 3.238 -2.544 5.580 58 HD2 PRO 9 1HD PRO 9 1.489 -3.021 3.610 59 HD3 PRO 9 2HD PRO 9 0.904 -2.593 5.255 60 H GLY 10 H GLY 10 2.180 2.668 4.039 61 HA2 GLY 10 1HA GLY 10 3.125 3.893 2.220 62 HA3 GLY 10 2HA GLY 10 3.080 2.436 1.213 63 H VAL 11 H VAL 11 0.286 2.232 2.727 64 HA VAL 11 HA VAL 11 -1.880 2.717 2.388 65 HB VAL 11 HB VAL 11 -1.107 5.353 1.099 66 HG11 VAL 11 1HG1 VAL 11 -3.540 4.432 2.687 67 HG12 VAL 11 2HG1 VAL 11 -3.279 6.064 2.027 68 HG13 VAL 11 3HG1 VAL 11 -3.475 4.688 0.927 69 HG21 VAL 11 1HG2 VAL 11 -1.352 4.636 4.047 70 HG22 VAL 11 2HG2 VAL 11 0.089 5.260 3.208 71 HG23 VAL 11 3HG2 VAL 11 -1.333 6.297 3.411 72 H ARG 12 H ARG 12 -1.651 0.909 0.929 73 HA ARG 12 HA ARG 12 -2.603 1.666 -1.777 74 HB2 ARG 12 1HB ARG 12 -0.283 1.397 -2.142 75 HB3 ARG 12 2HB ARG 12 -0.191 -0.015 -1.104 76 HG2 ARG 12 1HG ARG 12 0.057 -0.725 -3.372 77 HG3 ARG 12 2HG ARG 12 -1.500 -1.316 -2.778 78 HD2 ARG 12 1HD ARG 12 -2.667 0.475 -3.905 79 HD3 ARG 12 2HD ARG 12 -1.142 1.213 -4.415 80 HE ARG 12 HE ARG 12 -1.021 -1.320 -5.477 81 HH11 ARG 12 1HH1 ARG 12 -3.489 1.205 -5.654 82 HH12 ARG 12 2HH1 ARG 12 -4.030 0.676 -7.240 83 HH21 ARG 12 1HH2 ARG 12 -1.773 -1.936 -7.462 84 HH22 ARG 12 2HH2 ARG 12 -3.075 -1.055 -8.243 85 H CYS 13 H CYS 13 -4.230 0.360 -2.551 86 HA CYS 13 HA CYS 13 -5.170 -1.808 -0.853 87 HB2 CYS 13 1HB CYS 13 -6.687 -0.401 -2.258 88 HB3 CYS 13 2HB CYS 13 -5.979 -1.153 -3.704 89 H LEU 14 H LEU 14 -4.302 -3.769 -0.747 90 HA LEU 14 HA LEU 14 -3.212 -4.964 -3.239 91 HB2 LEU 14 1HB LEU 14 -1.599 -3.912 -1.378 92 HB3 LEU 14 2HB LEU 14 -1.864 -5.460 -0.607 93 HG LEU 14 HG LEU 14 0.218 -5.380 -1.793 94 HD11 LEU 14 1HD1 LEU 14 0.045 -7.421 -3.111 95 HD12 LEU 14 2HD1 LEU 14 -0.950 -7.539 -1.644 96 HD13 LEU 14 3HD1 LEU 14 -1.719 -7.230 -3.219 97 HD21 LEU 14 1HD2 LEU 14 -1.350 -5.034 -4.371 98 HD22 LEU 14 2HD2 LEU 14 -0.442 -3.746 -3.544 99 HD23 LEU 14 3HD2 LEU 14 0.414 -5.162 -4.188 100 H ILE 15 H ILE 15 -4.133 -5.607 0.181 101 HA ILE 15 HA ILE 15 -5.398 -8.130 -0.782 102 HB ILE 15 HB ILE 15 -4.137 -7.657 1.952 103 HG12 ILE 15 1HG1 ILE 15 -3.174 -9.368 -0.363 104 HG13 ILE 15 2HG1 ILE 15 -2.472 -7.825 0.111 105 HG21 ILE 15 1HG2 ILE 15 -6.062 -9.163 2.012 106 HG22 ILE 15 2HG2 ILE 15 -5.390 -10.128 0.678 107 HG23 ILE 15 3HG2 ILE 15 -4.573 -10.087 2.260 108 HD11 ILE 15 1HD1 ILE 15 -1.923 -8.802 2.346 109 HD12 ILE 15 2HD1 ILE 15 -2.430 -10.387 1.711 110 HD13 ILE 15 3HD1 ILE 15 -1.066 -9.526 0.968 111 H TRP 16 H TRP 16 -7.499 -8.006 -0.673 112 HA TRP 16 HA TRP 16 -9.566 -7.044 -0.243 113 HB2 TRP 16 1HB TRP 16 -9.008 -8.081 2.524 114 HB3 TRP 16 2HB TRP 16 -10.502 -8.138 1.585 115 HD1 TRP 16 HD1 TRP 16 -8.009 -10.405 2.768 116 HE1 TRP 16 HE1 TRP 16 -7.671 -12.492 1.336 117 HE3 TRP 16 HE3 TRP 16 -10.537 -8.835 -1.374 118 HZ2 TRP 16 HZ2 TRP 16 -8.251 -13.268 -1.337 119 HZ3 TRP 16 HZ3 TRP 16 -10.618 -10.316 -3.354 120 HH2 TRP 16 HH2 TRP 16 -9.471 -12.507 -3.335 121 H CYS 17 H CYS 17 -8.447 -4.726 -0.305 122 HA CYS 17 HA CYS 17 -8.371 -3.406 2.267 123 HB2 CYS 17 1HB CYS 17 -7.967 -1.393 1.023 124 HB3 CYS 17 2HB CYS 17 -7.011 -2.708 0.321 125 H ASP 18 H ASP 18 -9.648 -1.566 2.878 126 HA ASP 18 HA ASP 18 -11.839 -0.997 3.616 127 HB2 ASP 18 1HB ASP 18 -10.922 0.796 2.188 128 HB3 ASP 18 2HB ASP 18 -11.567 0.002 0.747 129 HC ASP 18 HC ASP 18 -13.108 -2.379 1.155 Start of MODEL 18 1 H1 GLY 1 H GLY 1 3.476 -1.712 -0.665 2 HA2 GLY 1 1HA GLY 1 4.141 -0.227 -2.322 3 HA3 GLY 1 2HA GLY 1 2.434 -0.390 -2.705 4 H SER 2 H SER 2 2.362 1.592 -3.754 5 HA SER 2 HA SER 2 1.665 3.752 -1.941 6 HB2 SER 2 1HB SER 2 4.199 3.841 -2.211 7 HB3 SER 2 2HB SER 2 3.890 4.286 -3.902 8 HG SER 2 HG SER 2 2.574 6.026 -3.014 9 H ARG 3 H ARG 3 0.713 2.124 -4.363 10 HA ARG 3 HA ARG 3 -0.061 4.337 -6.159 11 HB2 ARG 3 1HB ARG 3 -0.880 1.432 -6.421 12 HB3 ARG 3 2HB ARG 3 -0.911 2.689 -7.652 13 HG2 ARG 3 1HG ARG 3 1.532 1.345 -6.461 14 HG3 ARG 3 2HG ARG 3 0.890 1.179 -8.098 15 HD2 ARG 3 1HD ARG 3 1.238 3.800 -8.165 16 HD3 ARG 3 2HD ARG 3 2.358 3.481 -6.839 17 HE ARG 3 HE ARG 3 3.827 2.448 -8.307 18 HH11 ARG 3 1HH1 ARG 3 0.767 2.972 -10.011 19 HH12 ARG 3 2HH1 ARG 3 1.463 2.501 -11.551 20 HH21 ARG 3 1HH2 ARG 3 4.627 1.915 -10.288 21 HH22 ARG 3 2HH2 ARG 3 3.598 1.934 -11.709 22 H GLY 4 H GLY 4 -2.658 2.424 -6.490 23 HA2 GLY 4 1HA GLY 4 -4.344 4.368 -5.291 24 HA3 GLY 4 2HA GLY 4 -4.869 2.781 -5.883 25 H TRP 5 H TRP 5 -5.383 4.524 -3.380 26 HA TRP 5 HA TRP 5 -3.863 3.576 -1.246 27 HB2 TRP 5 1HB TRP 5 -6.654 4.684 -0.959 28 HB3 TRP 5 2HB TRP 5 -5.261 4.944 0.088 29 HD1 TRP 5 HD1 TRP 5 -7.233 6.775 -2.301 30 HE1 TRP 5 HE1 TRP 5 -6.015 8.764 -3.338 31 HE3 TRP 5 HE3 TRP 5 -2.479 5.420 -1.057 32 HZ2 TRP 5 HZ2 TRP 5 -3.316 9.642 -3.579 33 HZ3 TRP 5 HZ3 TRP 5 -0.604 6.892 -1.718 34 HH2 TRP 5 HH2 TRP 5 -1.026 8.985 -2.967 35 H GLY 6 H GLY 6 -4.270 2.362 0.627 36 HA2 GLY 6 1HA GLY 6 -6.678 1.146 1.312 37 HA3 GLY 6 2HA GLY 6 -5.858 0.007 0.250 38 H PHE 7 H PHE 7 -4.819 -1.525 1.250 39 HA PHE 7 HA PHE 7 -4.067 -1.330 4.064 40 HB2 PHE 7 1HB PHE 7 -4.253 -3.402 1.930 41 HB3 PHE 7 2HB PHE 7 -3.071 -3.718 3.193 42 HD1 PHE 7 HD1 PHE 7 -6.644 -2.743 2.767 43 HD2 PHE 7 HD2 PHE 7 -3.728 -4.664 5.221 44 HE1 PHE 7 HE1 PHE 7 -8.450 -3.651 4.190 45 HE2 PHE 7 HE2 PHE 7 -5.515 -5.518 6.687 46 HZ PHE 7 HZ PHE 7 -7.883 -5.034 6.163 47 H GLU 8 H GLU 8 -1.605 -2.862 3.927 48 HA GLU 8 HA GLU 8 0.633 -2.716 3.587 49 HB2 GLU 8 1HB GLU 8 0.057 -2.797 1.177 50 HB3 GLU 8 2HB GLU 8 -0.170 -1.061 1.158 51 HG2 GLU 8 1HG GLU 8 2.473 -1.385 2.150 52 HG3 GLU 8 2HG GLU 8 2.310 -2.595 0.885 53 HA PRO 9 HA PRO 9 1.879 1.220 5.406 54 HB2 PRO 9 1HB PRO 9 4.578 0.657 5.521 55 HB3 PRO 9 2HB PRO 9 3.405 0.060 6.739 56 HG2 PRO 9 1HG PRO 9 4.529 -1.361 4.336 57 HG3 PRO 9 2HG PRO 9 4.363 -1.947 6.019 58 HD2 PRO 9 1HD PRO 9 2.605 -2.609 4.085 59 HD3 PRO 9 2HD PRO 9 2.067 -2.332 5.777 60 H GLY 10 H GLY 10 2.091 2.973 4.168 61 HA2 GLY 10 1HA GLY 10 3.153 4.211 2.350 62 HA3 GLY 10 2HA GLY 10 3.376 2.682 1.485 63 H VAL 11 H VAL 11 0.560 2.052 2.699 64 HA VAL 11 HA VAL 11 -1.618 2.264 2.255 65 HB VAL 11 HB VAL 11 -1.134 5.018 1.085 66 HG11 VAL 11 1HG1 VAL 11 -3.406 5.423 1.909 67 HG12 VAL 11 2HG1 VAL 11 -3.384 4.030 0.808 68 HG13 VAL 11 3HG1 VAL 11 -3.484 3.768 2.565 69 HG21 VAL 11 1HG2 VAL 11 -0.018 5.012 3.235 70 HG22 VAL 11 2HG2 VAL 11 -1.580 5.827 3.426 71 HG23 VAL 11 3HG2 VAL 11 -1.381 4.153 3.994 72 H ARG 12 H ARG 12 -1.617 0.604 0.864 73 HA ARG 12 HA ARG 12 -2.334 1.306 -1.923 74 HB2 ARG 12 1HB ARG 12 0.010 0.679 -2.073 75 HB3 ARG 12 2HB ARG 12 -0.266 -0.721 -1.037 76 HG2 ARG 12 1HG ARG 12 0.007 -1.569 -3.195 77 HG3 ARG 12 2HG ARG 12 -1.712 -1.716 -2.820 78 HD2 ARG 12 1HD ARG 12 -2.161 0.337 -4.123 79 HD3 ARG 12 2HD ARG 12 -0.436 0.469 -4.494 80 HE ARG 12 HE ARG 12 -2.389 -1.362 -5.666 81 HH11 ARG 12 1HH1 ARG 12 1.075 -0.842 -5.178 82 HH12 ARG 12 2HH1 ARG 12 1.492 -1.847 -6.559 83 HH21 ARG 12 1HH2 ARG 12 -1.773 -2.654 -7.337 84 HH22 ARG 12 2HH2 ARG 12 -0.078 -2.865 -7.739 85 H CYS 13 H CYS 13 -4.190 0.294 -2.483 86 HA CYS 13 HA CYS 13 -5.389 -1.801 -0.931 87 HB2 CYS 13 1HB CYS 13 -6.592 -0.311 -2.569 88 HB3 CYS 13 2HB CYS 13 -5.808 -1.208 -3.882 89 H LEU 14 H LEU 14 -4.394 -3.666 -0.571 90 HA LEU 14 HA LEU 14 -2.999 -5.005 -2.846 91 HB2 LEU 14 1HB LEU 14 -1.741 -3.909 -0.784 92 HB3 LEU 14 2HB LEU 14 -2.248 -5.355 0.052 93 HG LEU 14 HG LEU 14 0.033 -5.486 -0.648 94 HD11 LEU 14 1HD1 LEU 14 0.047 -7.627 -1.805 95 HD12 LEU 14 2HD1 LEU 14 -1.257 -7.583 -0.601 96 HD13 LEU 14 3HD1 LEU 14 -1.634 -7.386 -2.329 97 HD21 LEU 14 1HD2 LEU 14 0.756 -5.498 -2.953 98 HD22 LEU 14 2HD2 LEU 14 -0.915 -5.295 -3.523 99 HD23 LEU 14 3HD2 LEU 14 -0.118 -3.990 -2.612 100 H ILE 15 H ILE 15 -4.560 -5.499 0.347 101 HA ILE 15 HA ILE 15 -5.789 -7.979 -0.763 102 HB ILE 15 HB ILE 15 -5.112 -7.438 2.161 103 HG12 ILE 15 1HG1 ILE 15 -3.797 -9.353 0.208 104 HG13 ILE 15 2HG1 ILE 15 -3.104 -7.822 0.730 105 HG21 ILE 15 1HG2 ILE 15 -7.122 -8.812 1.820 106 HG22 ILE 15 2HG2 ILE 15 -6.220 -9.900 0.742 107 HG23 ILE 15 3HG2 ILE 15 -5.805 -9.801 2.471 108 HD11 ILE 15 1HD1 ILE 15 -2.049 -9.551 1.972 109 HD12 ILE 15 2HD1 ILE 15 -3.103 -8.646 3.080 110 HD13 ILE 15 3HD1 ILE 15 -3.609 -10.240 2.468 111 H TRP 16 H TRP 16 -7.822 -7.592 -1.159 112 HA TRP 16 HA TRP 16 -9.742 -6.242 -1.225 113 HB2 TRP 16 1HB TRP 16 -10.287 -7.570 1.396 114 HB3 TRP 16 2HB TRP 16 -11.286 -7.451 -0.053 115 HD1 TRP 16 HD1 TRP 16 -9.359 -9.902 1.819 116 HE1 TRP 16 HE1 TRP 16 -8.689 -11.957 0.460 117 HE3 TRP 16 HE3 TRP 16 -10.453 -8.071 -2.814 118 HZ2 TRP 16 HZ2 TRP 16 -8.515 -12.639 -2.295 119 HZ3 TRP 16 HZ3 TRP 16 -10.012 -9.493 -4.792 120 HH2 TRP 16 HH2 TRP 16 -9.044 -11.754 -4.529 121 H CYS 17 H CYS 17 -8.870 -4.093 -0.922 122 HA CYS 17 HA CYS 17 -8.877 -2.936 1.730 123 HB2 CYS 17 1HB CYS 17 -8.556 -0.812 0.503 124 HB3 CYS 17 2HB CYS 17 -7.420 -2.074 0.009 125 H ASP 18 H ASP 18 -10.170 -1.033 2.328 126 HA ASP 18 HA ASP 18 -12.976 -1.541 2.186 127 HB2 ASP 18 1HB ASP 18 -11.870 -0.228 4.030 128 HB3 ASP 18 2HB ASP 18 -11.585 1.089 2.883 129 HC ASP 18 HC ASP 18 -13.639 -0.425 0.153 Start of MODEL 19 1 H1 GLY 1 H GLY 1 2.969 -2.011 -0.855 2 HA2 GLY 1 1HA GLY 1 3.752 -0.641 -2.553 3 HA3 GLY 1 2HA GLY 1 2.027 -0.545 -2.881 4 H SER 2 H SER 2 2.043 1.429 -3.820 5 HA SER 2 HA SER 2 2.144 3.732 -2.019 6 HB2 SER 2 1HB SER 2 4.130 3.351 -4.282 7 HB3 SER 2 2HB SER 2 3.801 4.906 -3.501 8 HG SER 2 HG SER 2 4.283 2.932 -1.685 9 H ARG 3 H ARG 3 1.054 2.233 -4.846 10 HA ARG 3 HA ARG 3 0.618 4.571 -6.447 11 HB2 ARG 3 1HB ARG 3 -0.630 1.823 -6.759 12 HB3 ARG 3 2HB ARG 3 -0.445 3.056 -8.004 13 HG2 ARG 3 1HG ARG 3 1.756 1.436 -6.672 14 HG3 ARG 3 2HG ARG 3 1.164 1.302 -8.332 15 HD2 ARG 3 1HD ARG 3 1.834 3.845 -8.453 16 HD3 ARG 3 2HD ARG 3 2.881 3.430 -7.087 17 HE ARG 3 HE ARG 3 3.407 1.443 -8.916 18 HH11 ARG 3 1HH1 ARG 3 3.513 4.974 -9.136 19 HH12 ARG 3 2HH1 ARG 3 4.717 4.930 -10.413 20 HH21 ARG 3 1HH2 ARG 3 4.935 1.478 -10.499 21 HH22 ARG 3 2HH2 ARG 3 5.516 2.999 -11.156 22 H GLY 4 H GLY 4 -2.081 2.371 -5.714 23 HA2 GLY 4 1HA GLY 4 -3.811 4.763 -5.514 24 HA3 GLY 4 2HA GLY 4 -4.355 3.074 -5.640 25 H TRP 5 H TRP 5 -5.796 3.784 -3.730 26 HA TRP 5 HA TRP 5 -4.213 3.961 -1.229 27 HB2 TRP 5 1HB TRP 5 -7.143 4.454 -1.209 28 HB3 TRP 5 2HB TRP 5 -5.840 5.285 -0.358 29 HD1 TRP 5 HD1 TRP 5 -8.234 5.855 -3.066 30 HE1 TRP 5 HE1 TRP 5 -7.617 7.854 -4.528 31 HE3 TRP 5 HE3 TRP 5 -3.370 6.304 -1.630 32 HZ2 TRP 5 HZ2 TRP 5 -5.325 9.506 -4.920 33 HZ3 TRP 5 HZ3 TRP 5 -2.001 8.137 -2.584 34 HH2 TRP 5 HH2 TRP 5 -2.982 9.726 -4.205 35 H GLY 6 H GLY 6 -4.606 2.712 0.595 36 HA2 GLY 6 1HA GLY 6 -6.872 1.188 1.127 37 HA3 GLY 6 2HA GLY 6 -5.798 0.132 0.199 38 H PHE 7 H PHE 7 -5.303 -1.304 1.865 39 HA PHE 7 HA PHE 7 -4.108 -0.302 4.340 40 HB2 PHE 7 1HB PHE 7 -4.119 -3.117 3.187 41 HB3 PHE 7 2HB PHE 7 -3.735 -2.657 4.852 42 HD1 PHE 7 HD1 PHE 7 -6.064 -0.609 5.148 43 HD2 PHE 7 HD2 PHE 7 -5.873 -4.625 3.693 44 HE1 PHE 7 HE1 PHE 7 -8.410 -0.951 5.797 45 HE2 PHE 7 HE2 PHE 7 -8.210 -4.983 4.376 46 HZ PHE 7 HZ PHE 7 -9.493 -3.144 5.421 47 H GLU 8 H GLU 8 -2.029 -2.651 3.909 48 HA GLU 8 HA GLU 8 0.191 -2.763 3.443 49 HB2 GLU 8 1HB GLU 8 -0.519 -2.648 1.067 50 HB3 GLU 8 2HB GLU 8 -0.524 -0.898 1.141 51 HG2 GLU 8 1HG GLU 8 2.090 -1.503 1.958 52 HG3 GLU 8 2HG GLU 8 1.755 -2.739 0.752 53 HA PRO 9 HA PRO 9 1.963 0.902 5.385 54 HB2 PRO 9 1HB PRO 9 4.587 0.050 5.331 55 HB3 PRO 9 2HB PRO 9 3.414 -0.509 6.567 56 HG2 PRO 9 1HG PRO 9 4.283 -1.862 4.023 57 HG3 PRO 9 2HG PRO 9 4.119 -2.548 5.668 58 HD2 PRO 9 1HD PRO 9 2.228 -2.875 3.765 59 HD3 PRO 9 2HD PRO 9 1.793 -2.694 5.498 60 H GLY 10 H GLY 10 1.990 2.600 4.054 61 HA2 GLY 10 1HA GLY 10 3.251 3.788 2.248 62 HA3 GLY 10 2HA GLY 10 3.216 2.266 1.350 63 H VAL 11 H VAL 11 0.362 2.048 2.702 64 HA VAL 11 HA VAL 11 -1.790 2.528 2.217 65 HB VAL 11 HB VAL 11 -0.822 5.190 1.102 66 HG11 VAL 11 1HG1 VAL 11 -3.130 5.916 1.698 67 HG12 VAL 11 2HG1 VAL 11 -3.103 4.683 0.426 68 HG13 VAL 11 3HG1 VAL 11 -3.536 4.230 2.093 69 HG21 VAL 11 1HG2 VAL 11 -1.661 4.387 3.916 70 HG22 VAL 11 2HG2 VAL 11 -0.053 4.950 3.399 71 HG23 VAL 11 3HG2 VAL 11 -1.434 6.061 3.359 72 H ARG 12 H ARG 12 -1.836 0.827 0.789 73 HA ARG 12 HA ARG 12 -2.783 1.619 -1.853 74 HB2 ARG 12 1HB ARG 12 -0.149 1.213 -1.792 75 HB3 ARG 12 2HB ARG 12 -0.632 -0.477 -1.881 76 HG2 ARG 12 1HG ARG 12 -1.261 1.720 -3.867 77 HG3 ARG 12 2HG ARG 12 -0.071 0.429 -4.060 78 HD2 ARG 12 1HD ARG 12 -2.051 -1.198 -3.813 79 HD3 ARG 12 2HD ARG 12 -3.080 0.216 -4.062 80 HE ARG 12 HE ARG 12 -2.493 0.272 -6.300 81 HH11 ARG 12 1HH1 ARG 12 -0.360 -2.032 -4.663 82 HH12 ARG 12 2HH1 ARG 12 0.299 -2.613 -6.183 83 HH21 ARG 12 1HH2 ARG 12 -1.684 -0.581 -8.158 84 HH22 ARG 12 2HH2 ARG 12 -0.447 -1.828 -8.114 85 H CYS 13 H CYS 13 -4.477 0.286 -2.356 86 HA CYS 13 HA CYS 13 -5.238 -1.876 -0.667 87 HB2 CYS 13 1HB CYS 13 -6.704 -0.520 -2.234 88 HB3 CYS 13 2HB CYS 13 -6.033 -1.469 -3.571 89 H LEU 14 H LEU 14 -4.247 -3.758 -0.421 90 HA LEU 14 HA LEU 14 -2.930 -5.009 -2.795 91 HB2 LEU 14 1HB LEU 14 -2.003 -4.403 -0.074 92 HB3 LEU 14 2HB LEU 14 -1.824 -6.100 -0.472 93 HG LEU 14 HG LEU 14 0.210 -4.829 -0.802 94 HD11 LEU 14 1HD1 LEU 14 -0.240 -6.862 -2.130 95 HD12 LEU 14 2HD1 LEU 14 -0.925 -5.856 -3.426 96 HD13 LEU 14 3HD1 LEU 14 0.793 -5.707 -2.994 97 HD21 LEU 14 1HD2 LEU 14 -0.782 -2.677 -1.495 98 HD22 LEU 14 2HD2 LEU 14 0.502 -3.233 -2.592 99 HD23 LEU 14 3HD2 LEU 14 -1.207 -3.395 -3.065 100 H ILE 15 H ILE 15 -4.470 -5.683 0.379 101 HA ILE 15 HA ILE 15 -5.596 -8.168 -0.831 102 HB ILE 15 HB ILE 15 -4.888 -7.713 2.102 103 HG12 ILE 15 1HG1 ILE 15 -3.543 -9.506 0.054 104 HG13 ILE 15 2HG1 ILE 15 -2.898 -7.967 0.612 105 HG21 ILE 15 1HG2 ILE 15 -6.849 -9.159 1.740 106 HG22 ILE 15 2HG2 ILE 15 -5.910 -10.176 0.624 107 HG23 ILE 15 3HG2 ILE 15 -5.481 -10.102 2.350 108 HD11 ILE 15 1HD1 ILE 15 -3.267 -10.464 2.273 109 HD12 ILE 15 2HD1 ILE 15 -1.748 -9.688 1.775 110 HD13 ILE 15 3HD1 ILE 15 -2.818 -8.871 2.936 111 H TRP 16 H TRP 16 -7.665 -7.918 -1.140 112 HA TRP 16 HA TRP 16 -9.538 -6.427 -1.193 113 HB2 TRP 16 1HB TRP 16 -10.560 -7.916 1.083 114 HB3 TRP 16 2HB TRP 16 -11.030 -7.934 -0.612 115 HD1 TRP 16 HD1 TRP 16 -9.495 -10.071 1.963 116 HE1 TRP 16 HE1 TRP 16 -8.452 -12.191 0.994 117 HE3 TRP 16 HE3 TRP 16 -9.560 -8.704 -2.949 118 HZ2 TRP 16 HZ2 TRP 16 -7.653 -13.106 -1.580 119 HZ3 TRP 16 HZ3 TRP 16 -8.621 -10.257 -4.633 120 HH2 TRP 16 HH2 TRP 16 -7.673 -12.436 -3.946 121 H CYS 17 H CYS 17 -8.784 -4.361 -0.586 122 HA CYS 17 HA CYS 17 -8.777 -3.592 2.201 123 HB2 CYS 17 1HB CYS 17 -8.428 -1.321 1.294 124 HB3 CYS 17 2HB CYS 17 -7.311 -2.515 0.614 125 H ASP 18 H ASP 18 -10.037 -1.779 3.046 126 HA ASP 18 HA ASP 18 -12.659 -2.123 3.474 127 HB2 ASP 18 1HB ASP 18 -11.306 -0.210 4.379 128 HB3 ASP 18 2HB ASP 18 -11.467 0.617 2.824 129 HC ASP 18 HC ASP 18 -12.688 -1.127 0.592 Start of MODEL 20 1 H1 GLY 1 H GLY 1 1.483 1.041 -0.479 2 HA2 GLY 1 1HA GLY 1 2.691 -1.339 -1.338 3 HA3 GLY 1 2HA GLY 1 0.951 -1.442 -1.740 4 H SER 2 H SER 2 1.383 -1.246 -4.023 5 HA SER 2 HA SER 2 2.805 1.188 -4.888 6 HB2 SER 2 1HB SER 2 1.817 -1.250 -6.403 7 HB3 SER 2 2HB SER 2 2.782 0.071 -7.085 8 HG SER 2 HG SER 2 4.133 -1.631 -6.457 9 H ARG 3 H ARG 3 -0.471 0.030 -4.786 10 HA ARG 3 HA ARG 3 -1.266 1.588 -7.138 11 HB2 ARG 3 1HB ARG 3 -3.087 -0.004 -5.327 12 HB3 ARG 3 2HB ARG 3 -3.310 0.401 -7.028 13 HG2 ARG 3 1HG ARG 3 -1.349 -1.597 -5.861 14 HG3 ARG 3 2HG ARG 3 -2.788 -1.938 -6.825 15 HD2 ARG 3 1HD ARG 3 -1.732 -0.678 -8.724 16 HD3 ARG 3 2HD ARG 3 -0.266 -0.520 -7.747 17 HE ARG 3 HE ARG 3 -1.053 -3.267 -7.911 18 HH11 ARG 3 1HH1 ARG 3 0.500 -0.741 -9.841 19 HH12 ARG 3 2HH1 ARG 3 1.398 -1.913 -10.790 20 HH21 ARG 3 1HH2 ARG 3 0.106 -4.674 -9.158 21 HH22 ARG 3 2HH2 ARG 3 1.181 -4.085 -10.415 22 H GLY 4 H GLY 4 -4.024 2.082 -6.199 23 HA2 GLY 4 1HA GLY 4 -3.567 4.741 -5.191 24 HA3 GLY 4 2HA GLY 4 -5.138 3.948 -5.410 25 H TRP 5 H TRP 5 -5.036 5.508 -3.247 26 HA TRP 5 HA TRP 5 -3.776 4.627 -0.941 27 HB2 TRP 5 1HB TRP 5 -6.561 5.785 -0.947 28 HB3 TRP 5 2HB TRP 5 -5.284 6.014 0.248 29 HD1 TRP 5 HD1 TRP 5 -6.826 7.703 -2.649 30 HE1 TRP 5 HE1 TRP 5 -5.471 9.724 -3.422 31 HE3 TRP 5 HE3 TRP 5 -2.521 6.664 -0.136 32 HZ2 TRP 5 HZ2 TRP 5 -2.860 10.766 -2.955 33 HZ3 TRP 5 HZ3 TRP 5 -0.637 8.274 -0.269 34 HH2 TRP 5 HH2 TRP 5 -0.805 10.291 -1.689 35 H GLY 6 H GLY 6 -4.260 3.317 0.830 36 HA2 GLY 6 1HA GLY 6 -6.721 2.335 1.545 37 HA3 GLY 6 2HA GLY 6 -6.160 1.176 0.346 38 H PHE 7 H PHE 7 -5.553 -0.595 1.281 39 HA PHE 7 HA PHE 7 -4.491 -0.645 4.016 40 HB2 PHE 7 1HB PHE 7 -5.395 -2.630 1.943 41 HB3 PHE 7 2HB PHE 7 -4.332 -3.197 3.223 42 HD1 PHE 7 HD1 PHE 7 -6.955 -0.574 3.726 43 HD2 PHE 7 HD2 PHE 7 -5.806 -4.656 4.294 44 HE1 PHE 7 HE1 PHE 7 -8.853 -0.894 5.245 45 HE2 PHE 7 HE2 PHE 7 -7.730 -4.985 5.792 46 HZ PHE 7 HZ PHE 7 -9.260 -3.104 6.279 47 H GLU 8 H GLU 8 -2.632 -2.691 3.898 48 HA GLU 8 HA GLU 8 -0.439 -3.101 3.646 49 HB2 GLU 8 1HB GLU 8 -0.388 -3.443 1.403 50 HB3 GLU 8 2HB GLU 8 -1.093 -1.904 0.991 51 HG2 GLU 8 1HG GLU 8 1.780 -2.023 1.980 52 HG3 GLU 8 2HG GLU 8 1.377 -2.427 0.329 53 HA PRO 9 HA PRO 9 1.433 0.271 5.779 54 HB2 PRO 9 1HB PRO 9 4.090 -0.457 5.605 55 HB3 PRO 9 2HB PRO 9 2.927 -1.253 6.714 56 HG2 PRO 9 1HG PRO 9 3.811 -2.123 3.962 57 HG3 PRO 9 2HG PRO 9 3.736 -3.081 5.476 58 HD2 PRO 9 1HD PRO 9 1.779 -3.237 3.656 59 HD3 PRO 9 2HD PRO 9 1.385 -3.206 5.408 60 H GLY 10 H GLY 10 1.636 2.241 4.982 61 HA2 GLY 10 1HA GLY 10 2.855 3.793 3.448 62 HA3 GLY 10 2HA GLY 10 2.711 2.533 2.210 63 H VAL 11 H VAL 11 -0.046 2.014 3.608 64 HA VAL 11 HA VAL 11 -2.220 2.571 3.317 65 HB VAL 11 HB VAL 11 -1.497 5.477 2.866 66 HG11 VAL 11 1HG1 VAL 11 -3.816 4.093 4.278 67 HG12 VAL 11 2HG1 VAL 11 -3.609 5.848 4.084 68 HG13 VAL 11 3HG1 VAL 11 -3.875 4.828 2.660 69 HG21 VAL 11 1HG2 VAL 11 -0.172 4.873 4.796 70 HG22 VAL 11 2HG2 VAL 11 -1.609 5.737 5.365 71 HG23 VAL 11 3HG2 VAL 11 -1.531 3.965 5.505 72 H ARG 12 H ARG 12 -0.955 1.541 1.188 73 HA ARG 12 HA ARG 12 -2.538 2.731 -1.027 74 HB2 ARG 12 1HB ARG 12 0.396 2.217 -1.017 75 HB3 ARG 12 2HB ARG 12 -0.508 1.738 -2.457 76 HG2 ARG 12 1HG ARG 12 0.192 3.839 -3.003 77 HG3 ARG 12 2HG ARG 12 -1.443 4.162 -2.409 78 HD2 ARG 12 1HD ARG 12 -0.610 4.996 -0.331 79 HD3 ARG 12 2HD ARG 12 1.007 4.357 -0.639 80 HE ARG 12 HE ARG 12 -0.168 6.824 -1.684 81 HH11 ARG 12 1HH1 ARG 12 2.442 4.475 -2.161 82 HH12 ARG 12 2HH1 ARG 12 3.416 5.630 -3.057 83 HH21 ARG 12 1HH2 ARG 12 1.103 8.192 -2.831 84 HH22 ARG 12 2HH2 ARG 12 2.666 7.675 -3.451 85 H CYS 13 H CYS 13 -3.944 1.251 -1.679 86 HA CYS 13 HA CYS 13 -4.058 -1.275 -0.431 87 HB2 CYS 13 1HB CYS 13 -5.993 -0.006 -1.396 88 HB3 CYS 13 2HB CYS 13 -5.406 -0.405 -3.012 89 H LEU 14 H LEU 14 -3.173 -3.171 -0.781 90 HA LEU 14 HA LEU 14 -2.205 -3.809 -3.528 91 HB2 LEU 14 1HB LEU 14 -0.576 -3.308 -1.450 92 HB3 LEU 14 2HB LEU 14 -0.908 -4.989 -1.096 93 HG LEU 14 HG LEU 14 1.199 -4.630 -2.246 94 HD11 LEU 14 1HD1 LEU 14 0.026 -6.778 -2.526 95 HD12 LEU 14 2HD1 LEU 14 -0.770 -6.152 -3.988 96 HD13 LEU 14 3HD1 LEU 14 0.995 -6.358 -3.952 97 HD21 LEU 14 1HD2 LEU 14 0.350 -2.668 -3.625 98 HD22 LEU 14 2HD2 LEU 14 1.414 -3.826 -4.458 99 HD23 LEU 14 3HD2 LEU 14 -0.340 -3.868 -4.738 100 H ILE 15 H ILE 15 -3.309 -5.114 -0.382 101 HA ILE 15 HA ILE 15 -4.546 -7.374 -1.880 102 HB ILE 15 HB ILE 15 -3.389 -7.481 0.938 103 HG12 ILE 15 1HG1 ILE 15 -2.372 -8.728 -1.637 104 HG13 ILE 15 2HG1 ILE 15 -1.659 -7.326 -0.849 105 HG21 ILE 15 1HG2 ILE 15 -4.613 -9.635 -0.840 106 HG22 ILE 15 2HG2 ILE 15 -3.879 -9.906 0.760 107 HG23 ILE 15 3HG2 ILE 15 -5.346 -8.927 0.618 108 HD11 ILE 15 1HD1 ILE 15 -1.719 -10.152 0.216 109 HD12 ILE 15 2HD1 ILE 15 -0.314 -9.193 -0.296 110 HD13 ILE 15 3HD1 ILE 15 -1.209 -8.735 1.168 111 H TRP 16 H TRP 16 -6.633 -7.350 -1.773 112 HA TRP 16 HA TRP 16 -8.676 -6.309 -1.292 113 HB2 TRP 16 1HB TRP 16 -8.511 -8.068 1.119 114 HB3 TRP 16 2HB TRP 16 -9.810 -7.871 -0.057 115 HD1 TRP 16 HD1 TRP 16 -7.481 -10.371 0.985 116 HE1 TRP 16 HE1 TRP 16 -6.844 -12.073 -0.809 117 HE3 TRP 16 HE3 TRP 16 -9.271 -7.832 -3.063 118 HZ2 TRP 16 HZ2 TRP 16 -6.973 -12.223 -3.644 119 HZ3 TRP 16 HZ3 TRP 16 -8.977 -8.821 -5.312 120 HH2 TRP 16 HH2 TRP 16 -7.830 -10.993 -5.596 121 H CYS 17 H CYS 17 -8.120 -4.096 -0.767 122 HA CYS 17 HA CYS 17 -8.073 -3.364 2.043 123 HB2 CYS 17 1HB CYS 17 -8.667 -1.054 0.946 124 HB3 CYS 17 2HB CYS 17 -7.049 -1.741 0.780 125 H ASP 18 H ASP 18 -9.686 -2.072 3.123 126 HA ASP 18 HA ASP 18 -12.389 -2.953 2.850 127 HB2 ASP 18 1HB ASP 18 -11.469 -1.921 4.946 128 HB3 ASP 18 2HB ASP 18 -11.363 -0.365 4.112 129 HC ASP 18 HC ASP 18 -13.331 -1.479 1.183
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