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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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615476 |
5h1h ![]() ![]() |
36023 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H CYS 1 HN CYS 1 -3.974 2.127 -0.254 2 HA CYS 1 HA CYS 1 -1.447 3.487 0.166 3 HB2 CYS 1 HB2 CYS 1 -1.718 2.897 -2.342 4 HB3 CYS 1 HB1 CYS 1 -2.938 4.167 -2.345 5 H PHE 2 HN PHE 2 -1.601 5.535 0.874 6 HA PHE 2 HA PHE 2 -4.179 6.363 1.872 7 HB2 PHE 2 HB2 PHE 2 -1.414 7.562 2.092 8 HB3 PHE 2 HB1 PHE 2 -2.839 8.304 2.812 9 HD1 PHE 2 HD1 PHE 2 -0.486 5.511 2.980 10 HD2 PHE 2 HD2 PHE 2 -3.915 7.318 4.739 11 HE1 PHE 2 HE1 PHE 2 -0.198 4.104 4.979 12 HE2 PHE 2 HE2 PHE 2 -3.633 5.914 6.740 13 HZ PHE 2 HZ PHE 2 -1.773 4.305 6.862 14 HA PRO 3 HA PRO 3 -5.359 9.279 -1.300 15 HB2 PRO 3 HB2 PRO 3 -6.053 11.322 0.712 16 HB3 PRO 3 HB1 PRO 3 -7.105 10.479 -0.441 17 HG2 PRO 3 HG2 PRO 3 -7.224 9.962 2.164 18 HG3 PRO 3 HG1 PRO 3 -7.435 8.684 0.949 19 HD2 PRO 3 HD2 PRO 3 -5.024 9.329 2.605 20 HD3 PRO 3 HD1 PRO 3 -5.731 7.750 2.204 21 H ASP 4 HN ASP 4 -3.299 10.494 1.235 22 HA ASP 4 HA ASP 4 -1.964 12.257 -0.699 23 HB2 ASP 4 HB2 ASP 4 -2.782 12.970 2.123 24 HB3 ASP 4 HB1 ASP 4 -1.581 13.882 1.215 25 H GLY 5 HN GLY 5 0.086 11.712 -0.910 26 HA2 GLY 5 HA2 GLY 5 2.260 11.605 0.287 27 HA3 GLY 5 HA1 GLY 5 1.476 10.491 1.396 28 H ARG 6 HN ARG 6 2.298 8.544 1.123 29 HA ARG 6 HA ARG 6 2.489 7.441 -1.597 30 HB2 ARG 6 HB2 ARG 6 4.589 7.363 0.573 31 HB3 ARG 6 HB1 ARG 6 4.581 6.212 -0.757 32 HG2 ARG 6 HG2 ARG 6 4.796 8.041 -2.356 33 HG3 ARG 6 HG1 ARG 6 4.776 9.206 -1.031 34 HD2 ARG 6 HD2 ARG 6 6.816 8.198 -0.123 35 HD3 ARG 6 HD1 ARG 6 6.836 7.044 -1.457 36 HE ARG 6 HE ARG 6 6.783 9.576 -2.585 37 HH11 ARG 6 HH11 ARG 6 8.985 7.735 -0.562 38 HH12 ARG 6 HH12 ARG 6 10.394 8.547 -1.157 39 HH21 ARG 6 HH21 ARG 6 8.641 10.626 -3.350 40 HH22 ARG 6 HH22 ARG 6 10.197 10.183 -2.733 41 H CYS 7 HN CYS 7 3.369 4.881 -0.914 42 HA CYS 7 HA CYS 7 1.449 3.832 1.022 43 HB2 CYS 7 HB2 CYS 7 1.660 2.046 -1.244 44 HB3 CYS 7 HB1 CYS 7 0.217 2.737 -0.532 45 H LYS 8 HN LYS 8 1.969 1.755 1.859 46 HA LYS 8 HA LYS 8 4.491 0.515 1.143 47 HB2 LYS 8 HB2 LYS 8 4.085 1.908 3.785 48 HB3 LYS 8 HB1 LYS 8 5.187 0.547 3.639 49 HG2 LYS 8 HG2 LYS 8 6.462 1.767 1.942 50 HG3 LYS 8 HG1 LYS 8 5.357 3.134 2.103 51 HD2 LYS 8 HD2 LYS 8 5.998 3.372 4.454 52 HD3 LYS 8 HD1 LYS 8 7.098 2.000 4.294 53 HE2 LYS 8 HE2 LYS 8 8.381 3.231 2.611 54 HE3 LYS 8 HE1 LYS 8 7.282 4.600 2.774 55 HZ1 LYS 8 HZ1 LYS 8 9.298 4.933 4.055 56 HZ2 LYS 8 HZ2 LYS 8 9.017 3.509 4.924 57 HZ3 LYS 8 HZ3 LYS 8 7.959 4.819 5.086 58 H ARG 9 HN ARG 9 3.757 -1.475 0.830 59 HA ARG 9 HA ARG 9 2.588 -2.922 3.068 60 HB2 ARG 9 HB2 ARG 9 1.223 -2.577 0.403 61 HB3 ARG 9 HB1 ARG 9 0.908 -3.981 1.411 62 HG2 ARG 9 HG2 ARG 9 0.634 -1.258 2.596 63 HG3 ARG 9 HG1 ARG 9 -0.635 -1.873 1.536 64 HD2 ARG 9 HD2 ARG 9 -0.863 -3.851 2.968 65 HD3 ARG 9 HD1 ARG 9 0.398 -3.223 4.030 66 HE ARG 9 HE ARG 9 -1.545 -1.257 3.858 67 HH11 ARG 9 HH11 ARG 9 -1.376 -4.560 5.040 68 HH12 ARG 9 HH12 ARG 9 -2.607 -4.318 6.234 69 HH21 ARG 9 HH21 ARG 9 -3.154 -0.963 5.427 70 HH22 ARG 9 HH22 ARG 9 -3.613 -2.282 6.451 71 HA PRO 10 HA PRO 10 5.200 -6.177 1.469 72 HB2 PRO 10 HB2 PRO 10 3.340 -8.288 2.274 73 HB3 PRO 10 HB1 PRO 10 4.903 -7.857 2.987 74 HG2 PRO 10 HG2 PRO 10 2.578 -7.461 4.274 75 HG3 PRO 10 HG1 PRO 10 3.982 -6.394 4.478 76 HD2 PRO 10 HD2 PRO 10 1.533 -5.983 2.803 77 HD3 PRO 10 HD1 PRO 10 2.388 -4.836 3.855 78 HA PRO 11 HA PRO 11 3.687 -7.619 -2.494 79 HB2 PRO 11 HB2 PRO 11 5.139 -10.163 -2.324 80 HB3 PRO 11 HB1 PRO 11 5.447 -8.771 -3.378 81 HG2 PRO 11 HG2 PRO 11 7.113 -9.442 -1.389 82 HG3 PRO 11 HG1 PRO 11 6.841 -7.757 -1.877 83 HD2 PRO 11 HD2 PRO 11 5.686 -9.255 0.446 84 HD3 PRO 11 HD1 PRO 11 6.335 -7.604 0.377 85 H GLY 12 HN GLY 12 1.717 -8.337 -2.920 86 HA2 GLY 12 HA2 GLY 12 0.930 -11.036 -2.124 87 HA3 GLY 12 HA1 GLY 12 -0.057 -9.711 -1.523 88 H PHE 13 HN PHE 13 -1.639 -8.931 -2.771 89 HA PHE 13 HA PHE 13 -1.626 -9.491 -5.649 90 HB2 PHE 13 HB2 PHE 13 -3.851 -10.236 -3.744 91 HB3 PHE 13 HB1 PHE 13 -4.070 -10.133 -5.487 92 HD1 PHE 13 HD1 PHE 13 -2.549 -12.019 -2.748 93 HD2 PHE 13 HD2 PHE 13 -3.108 -11.787 -6.960 94 HE1 PHE 13 HE1 PHE 13 -1.773 -14.343 -2.974 95 HE2 PHE 13 HE2 PHE 13 -2.333 -14.111 -7.194 96 HZ PHE 13 HZ PHE 13 -1.665 -15.392 -5.199 97 H SER 14 HN SER 14 -3.124 -7.751 -2.947 98 HA SER 14 HA SER 14 -3.593 -5.473 -4.724 99 HB2 SER 14 HB2 SER 14 -5.655 -6.581 -2.806 100 HB3 SER 14 HB1 SER 14 -5.814 -5.076 -3.711 101 HG SER 14 HG SER 14 -6.239 -7.632 -4.520 102 HA PRO 15 HA PRO 15 -1.578 -3.944 -0.866 103 HB2 PRO 15 HB2 PRO 15 -0.212 -1.875 -1.932 104 HB3 PRO 15 HB1 PRO 15 0.349 -3.550 -2.092 105 HG2 PRO 15 HG2 PRO 15 -1.068 -1.838 -4.074 106 HG3 PRO 15 HG1 PRO 15 0.293 -2.954 -4.311 107 HD2 PRO 15 HD2 PRO 15 -2.311 -3.603 -4.892 108 HD3 PRO 15 HD1 PRO 15 -1.071 -4.798 -4.466 109 H LEU 16 HN LEU 16 -1.407 -1.537 0.016 110 HA LEU 16 HA LEU 16 -3.955 -0.168 -0.561 111 HB2 LEU 16 HB2 LEU 16 -3.674 -1.492 1.671 112 HB3 LEU 16 HB1 LEU 16 -2.671 -0.140 2.152 113 HG LEU 16 HG LEU 16 -4.788 1.273 1.445 114 HD11 LEU 16 HD11 LEU 16 -6.070 -0.606 0.573 115 HD12 LEU 16 HD12 LEU 16 -6.875 0.107 1.970 116 HD13 LEU 16 HD13 LEU 16 -5.987 -1.407 2.143 117 HD21 LEU 16 HD21 LEU 16 -5.566 1.149 3.768 118 HD22 LEU 16 HD22 LEU 16 -3.809 1.238 3.666 119 HD23 LEU 16 HD23 LEU 16 -4.594 -0.302 4.008 Start of MODEL 2 1 H CYS 1 HN CYS 1 -3.738 2.324 -1.026 2 HA CYS 1 HA CYS 1 -1.531 3.255 0.626 3 HB2 CYS 1 HB2 CYS 1 -1.831 4.132 -2.268 4 HB3 CYS 1 HB1 CYS 1 -0.737 4.865 -1.104 5 H PHE 2 HN PHE 2 -1.645 5.577 1.070 6 HA PHE 2 HA PHE 2 -4.449 6.447 1.173 7 HB2 PHE 2 HB2 PHE 2 -2.070 7.184 2.877 8 HB3 PHE 2 HB1 PHE 2 -3.625 7.996 2.993 9 HD1 PHE 2 HD1 PHE 2 -5.538 6.887 3.969 10 HD2 PHE 2 HD2 PHE 2 -1.782 4.911 3.660 11 HE1 PHE 2 HE1 PHE 2 -6.316 5.170 5.549 12 HE2 PHE 2 HE2 PHE 2 -2.554 3.188 5.239 13 HZ PHE 2 HZ PHE 2 -4.823 3.317 6.186 14 HA PRO 3 HA PRO 3 -3.385 9.831 -1.581 15 HB2 PRO 3 HB2 PRO 3 -5.751 11.316 -0.868 16 HB3 PRO 3 HB1 PRO 3 -5.485 10.313 -2.303 17 HG2 PRO 3 HG2 PRO 3 -7.275 9.711 -0.331 18 HG3 PRO 3 HG1 PRO 3 -6.527 8.515 -1.408 19 HD2 PRO 3 HD2 PRO 3 -5.813 9.226 1.408 20 HD3 PRO 3 HD1 PRO 3 -5.878 7.636 0.620 21 H ASP 4 HN ASP 4 -3.064 10.064 1.636 22 HA ASP 4 HA ASP 4 -2.973 12.948 1.922 23 HB2 ASP 4 HB2 ASP 4 -3.643 11.147 3.711 24 HB3 ASP 4 HB1 ASP 4 -1.908 11.059 3.985 25 H GLY 5 HN GLY 5 -0.780 10.349 1.282 26 HA2 GLY 5 HA2 GLY 5 1.280 11.405 0.108 27 HA3 GLY 5 HA1 GLY 5 1.558 12.084 1.703 28 H ARG 6 HN ARG 6 0.264 8.865 1.176 29 HA ARG 6 HA ARG 6 2.852 7.665 1.878 30 HB2 ARG 6 HB2 ARG 6 0.213 7.196 3.257 31 HB3 ARG 6 HB1 ARG 6 1.525 6.030 3.338 32 HG2 ARG 6 HG2 ARG 6 2.965 7.725 4.356 33 HG3 ARG 6 HG1 ARG 6 1.642 8.890 4.280 34 HD2 ARG 6 HD2 ARG 6 0.298 7.455 5.736 35 HD3 ARG 6 HD1 ARG 6 1.620 6.291 5.811 36 HE ARG 6 HE ARG 6 2.574 8.797 6.635 37 HH11 ARG 6 HH11 ARG 6 0.406 6.287 7.791 38 HH12 ARG 6 HH12 ARG 6 0.670 6.668 9.460 39 HH21 ARG 6 HH21 ARG 6 2.905 9.277 8.825 40 HH22 ARG 6 HH22 ARG 6 2.083 8.360 10.044 41 H CYS 7 HN CYS 7 3.102 5.470 1.238 42 HA CYS 7 HA CYS 7 1.193 4.009 -0.182 43 HB2 CYS 7 HB2 CYS 7 1.896 5.899 -1.843 44 HB3 CYS 7 HB1 CYS 7 3.329 4.900 -2.062 45 H LYS 8 HN LYS 8 1.686 1.954 -0.090 46 HA LYS 8 HA LYS 8 4.488 1.097 -0.052 47 HB2 LYS 8 HB2 LYS 8 2.425 0.458 2.061 48 HB3 LYS 8 HB1 LYS 8 3.858 -0.531 1.818 49 HG2 LYS 8 HG2 LYS 8 5.276 1.399 2.300 50 HG3 LYS 8 HG1 LYS 8 3.839 2.395 2.537 51 HD2 LYS 8 HD2 LYS 8 3.152 0.957 4.396 52 HD3 LYS 8 HD1 LYS 8 4.589 -0.040 4.155 53 HE2 LYS 8 HE2 LYS 8 6.008 1.892 4.645 54 HE3 LYS 8 HE1 LYS 8 4.572 2.887 4.884 55 HZ1 LYS 8 HZ1 LYS 8 5.479 2.123 6.986 56 HZ2 LYS 8 HZ2 LYS 8 5.316 0.512 6.503 57 HZ3 LYS 8 HZ3 LYS 8 3.940 1.467 6.734 58 H ARG 9 HN ARG 9 4.745 -1.220 -0.493 59 HA ARG 9 HA ARG 9 2.413 -2.525 -1.693 60 HB2 ARG 9 HB2 ARG 9 5.020 -1.983 -3.123 61 HB3 ARG 9 HB1 ARG 9 3.875 -3.203 -3.660 62 HG2 ARG 9 HG2 ARG 9 2.167 -1.457 -3.931 63 HG3 ARG 9 HG1 ARG 9 3.351 -0.245 -3.437 64 HD2 ARG 9 HD2 ARG 9 4.761 -0.847 -5.341 65 HD3 ARG 9 HD1 ARG 9 3.583 -2.062 -5.833 66 HE ARG 9 HE ARG 9 2.305 0.433 -5.641 67 HH11 ARG 9 HH11 ARG 9 4.643 -1.202 -7.691 68 HH12 ARG 9 HH12 ARG 9 4.232 -0.274 -9.095 69 HH21 ARG 9 HH21 ARG 9 1.782 1.633 -7.492 70 HH22 ARG 9 HH22 ARG 9 2.613 1.329 -8.982 71 HA PRO 10 HA PRO 10 4.891 -5.576 0.767 72 HB2 PRO 10 HB2 PRO 10 2.367 -6.516 1.858 73 HB3 PRO 10 HB1 PRO 10 3.714 -5.743 2.712 74 HG2 PRO 10 HG2 PRO 10 1.293 -4.568 2.392 75 HG3 PRO 10 HG1 PRO 10 2.812 -3.662 2.546 76 HD2 PRO 10 HD2 PRO 10 1.261 -4.331 0.074 77 HD3 PRO 10 HD1 PRO 10 2.064 -2.810 0.529 78 HA PRO 11 HA PRO 11 3.915 -9.078 -1.855 79 HB2 PRO 11 HB2 PRO 11 4.617 -11.071 0.148 80 HB3 PRO 11 HB1 PRO 11 5.543 -10.558 -1.273 81 HG2 PRO 11 HG2 PRO 11 6.336 -10.050 1.262 82 HG3 PRO 11 HG1 PRO 11 6.733 -9.002 -0.115 83 HD2 PRO 11 HD2 PRO 11 4.604 -8.658 1.964 84 HD3 PRO 11 HD1 PRO 11 5.708 -7.454 1.267 85 H GLY 12 HN GLY 12 1.878 -9.578 -2.341 86 HA2 GLY 12 HA2 GLY 12 0.406 -11.485 -0.790 87 HA3 GLY 12 HA1 GLY 12 -0.291 -9.874 -0.693 88 H PHE 13 HN PHE 13 -1.532 -9.141 -2.315 89 HA PHE 13 HA PHE 13 -1.525 -10.481 -4.908 90 HB2 PHE 13 HB2 PHE 13 -3.952 -10.343 -3.109 91 HB3 PHE 13 HB1 PHE 13 -4.058 -10.640 -4.839 92 HD1 PHE 13 HD1 PHE 13 -3.214 -12.733 -5.793 93 HD2 PHE 13 HD2 PHE 13 -3.193 -12.030 -1.595 94 HE1 PHE 13 HE1 PHE 13 -2.879 -15.137 -5.396 95 HE2 PHE 13 HE2 PHE 13 -2.856 -14.434 -1.191 96 HZ PHE 13 HZ PHE 13 -2.698 -15.991 -3.093 97 H SER 14 HN SER 14 -3.034 -7.948 -2.906 98 HA SER 14 HA SER 14 -2.711 -6.038 -5.075 99 HB2 SER 14 HB2 SER 14 -5.381 -6.526 -3.731 100 HB3 SER 14 HB1 SER 14 -5.033 -5.205 -4.847 101 HG SER 14 HG SER 14 -6.045 -7.137 -5.771 102 HA PRO 15 HA PRO 15 -1.707 -3.939 -1.156 103 HB2 PRO 15 HB2 PRO 15 -0.050 -2.047 -2.065 104 HB3 PRO 15 HB1 PRO 15 0.436 -3.752 -2.028 105 HG2 PRO 15 HG2 PRO 15 -0.442 -2.092 -4.330 106 HG3 PRO 15 HG1 PRO 15 0.828 -3.328 -4.244 107 HD2 PRO 15 HD2 PRO 15 -1.748 -3.753 -5.227 108 HD3 PRO 15 HD1 PRO 15 -0.634 -5.025 -4.691 109 H LEU 16 HN LEU 16 -1.678 -1.551 -0.420 110 HA LEU 16 HA LEU 16 -3.687 0.090 -1.781 111 HB2 LEU 16 HB2 LEU 16 -3.841 -0.779 1.110 112 HB3 LEU 16 HB1 LEU 16 -4.787 0.535 0.442 113 HG LEU 16 HG LEU 16 -4.981 -2.160 -0.837 114 HD11 LEU 16 HD11 LEU 16 -6.759 -2.782 0.733 115 HD12 LEU 16 HD12 LEU 16 -6.386 -1.360 1.708 116 HD13 LEU 16 HD13 LEU 16 -5.193 -2.647 1.532 117 HD21 LEU 16 HD21 LEU 16 -7.281 -1.421 -1.237 118 HD22 LEU 16 HD22 LEU 16 -6.115 -0.252 -1.857 119 HD23 LEU 16 HD23 LEU 16 -6.961 0.066 -0.343 Start of MODEL 3 1 H CYS 1 HN CYS 1 -3.822 2.029 -0.222 2 HA CYS 1 HA CYS 1 -1.363 3.536 -0.641 3 HB2 CYS 1 HB2 CYS 1 -3.356 2.986 -2.781 4 HB3 CYS 1 HB1 CYS 1 -2.733 4.631 -2.671 5 H PHE 2 HN PHE 2 -1.489 5.482 0.282 6 HA PHE 2 HA PHE 2 -3.969 6.274 1.546 7 HB2 PHE 2 HB2 PHE 2 -1.169 7.391 1.658 8 HB3 PHE 2 HB1 PHE 2 -2.525 8.132 2.499 9 HD1 PHE 2 HD1 PHE 2 -3.523 7.069 4.430 10 HD2 PHE 2 HD2 PHE 2 -0.247 5.277 2.387 11 HE1 PHE 2 HE1 PHE 2 -3.167 5.555 6.337 12 HE2 PHE 2 HE2 PHE 2 0.114 3.759 4.289 13 HZ PHE 2 HZ PHE 2 -1.347 3.897 6.267 14 HA PRO 3 HA PRO 3 -5.104 9.408 -1.437 15 HB2 PRO 3 HB2 PRO 3 -6.270 11.150 0.571 16 HB3 PRO 3 HB1 PRO 3 -7.095 10.091 -0.584 17 HG2 PRO 3 HG2 PRO 3 -7.116 9.660 2.087 18 HG3 PRO 3 HG1 PRO 3 -7.240 8.361 0.884 19 HD2 PRO 3 HD2 PRO 3 -4.850 9.253 2.452 20 HD3 PRO 3 HD1 PRO 3 -5.406 7.610 2.075 21 H ASP 4 HN ASP 4 -3.011 10.198 1.140 22 HA ASP 4 HA ASP 4 -2.558 12.944 0.277 23 HB2 ASP 4 HB2 ASP 4 -1.430 11.301 2.543 24 HB3 ASP 4 HB1 ASP 4 -0.861 12.924 2.165 25 H GLY 5 HN GLY 5 -1.247 9.821 -0.245 26 HA2 GLY 5 HA2 GLY 5 0.216 9.772 -2.286 27 HA3 GLY 5 HA1 GLY 5 1.177 10.993 -1.466 28 H ARG 6 HN ARG 6 2.174 8.545 -2.434 29 HA ARG 6 HA ARG 6 3.593 6.867 -1.895 30 HB2 ARG 6 HB2 ARG 6 3.572 8.245 0.788 31 HB3 ARG 6 HB1 ARG 6 4.563 6.832 0.456 32 HG2 ARG 6 HG2 ARG 6 5.685 8.061 -1.350 33 HG3 ARG 6 HG1 ARG 6 4.710 9.481 -0.973 34 HD2 ARG 6 HD2 ARG 6 6.478 8.134 1.055 35 HD3 ARG 6 HD1 ARG 6 7.055 9.419 -0.004 36 HE ARG 6 HE ARG 6 4.723 10.299 1.279 37 HH11 ARG 6 HH11 ARG 6 8.051 9.533 2.103 38 HH12 ARG 6 HH12 ARG 6 8.091 10.628 3.444 39 HH21 ARG 6 HH21 ARG 6 4.800 11.726 3.040 40 HH22 ARG 6 HH22 ARG 6 6.252 11.867 3.974 41 H CYS 7 HN CYS 7 3.559 4.761 -1.298 42 HA CYS 7 HA CYS 7 1.503 3.812 0.553 43 HB2 CYS 7 HB2 CYS 7 1.951 2.381 -2.054 44 HB3 CYS 7 HB1 CYS 7 0.561 2.302 -0.979 45 H LYS 8 HN LYS 8 2.041 1.935 1.654 46 HA LYS 8 HA LYS 8 4.508 0.537 0.964 47 HB2 LYS 8 HB2 LYS 8 4.084 2.013 3.558 48 HB3 LYS 8 HB1 LYS 8 5.208 0.670 3.432 49 HG2 LYS 8 HG2 LYS 8 6.459 1.875 1.714 50 HG3 LYS 8 HG1 LYS 8 5.327 3.223 1.838 51 HD2 LYS 8 HD2 LYS 8 5.961 3.533 4.184 52 HD3 LYS 8 HD1 LYS 8 7.092 2.185 4.056 53 HE2 LYS 8 HE2 LYS 8 8.345 3.404 2.343 54 HE3 LYS 8 HE1 LYS 8 7.213 4.750 2.473 55 HZ1 LYS 8 HZ1 LYS 8 9.224 5.158 3.744 56 HZ2 LYS 8 HZ2 LYS 8 8.970 3.753 4.652 57 HZ3 LYS 8 HZ3 LYS 8 7.886 5.047 4.774 58 H ARG 9 HN ARG 9 3.799 -1.464 0.753 59 HA ARG 9 HA ARG 9 2.606 -2.820 3.023 60 HB2 ARG 9 HB2 ARG 9 1.189 -2.486 0.388 61 HB3 ARG 9 HB1 ARG 9 0.899 -3.906 1.382 62 HG2 ARG 9 HG2 ARG 9 0.634 -1.187 2.588 63 HG3 ARG 9 HG1 ARG 9 -0.658 -1.828 1.575 64 HD2 ARG 9 HD2 ARG 9 -0.863 -3.770 3.019 65 HD3 ARG 9 HD1 ARG 9 0.487 -3.207 4.002 66 HE ARG 9 HE ARG 9 -1.429 -1.188 3.976 67 HH11 ARG 9 HH11 ARG 9 -1.162 -4.477 5.181 68 HH12 ARG 9 HH12 ARG 9 -2.272 -4.212 6.484 69 HH21 ARG 9 HH21 ARG 9 -2.876 -0.863 5.692 70 HH22 ARG 9 HH22 ARG 9 -3.240 -2.168 6.772 71 HA PRO 10 HA PRO 10 5.144 -6.155 1.472 72 HB2 PRO 10 HB2 PRO 10 3.247 -8.216 2.323 73 HB3 PRO 10 HB1 PRO 10 4.827 -7.808 3.014 74 HG2 PRO 10 HG2 PRO 10 2.529 -7.340 4.321 75 HG3 PRO 10 HG1 PRO 10 3.955 -6.296 4.486 76 HD2 PRO 10 HD2 PRO 10 1.493 -5.871 2.835 77 HD3 PRO 10 HD1 PRO 10 2.382 -4.720 3.855 78 HA PRO 11 HA PRO 11 3.564 -7.635 -2.450 79 HB2 PRO 11 HB2 PRO 11 5.043 -10.156 -2.314 80 HB3 PRO 11 HB1 PRO 11 5.342 -8.747 -3.345 81 HG2 PRO 11 HG2 PRO 11 7.009 -9.453 -1.362 82 HG3 PRO 11 HG1 PRO 11 6.753 -7.764 -1.845 83 HD2 PRO 11 HD2 PRO 11 5.587 -9.256 0.476 84 HD3 PRO 11 HD1 PRO 11 6.248 -7.610 0.409 85 H GLY 12 HN GLY 12 1.645 -8.457 -2.936 86 HA2 GLY 12 HA2 GLY 12 0.909 -11.145 -2.113 87 HA3 GLY 12 HA1 GLY 12 -0.084 -9.855 -1.454 88 H PHE 13 HN PHE 13 -1.702 -9.049 -2.645 89 HA PHE 13 HA PHE 13 -1.780 -9.569 -5.530 90 HB2 PHE 13 HB2 PHE 13 -3.941 -10.359 -3.568 91 HB3 PHE 13 HB1 PHE 13 -4.206 -10.243 -5.303 92 HD1 PHE 13 HD1 PHE 13 -3.250 -11.868 -6.821 93 HD2 PHE 13 HD2 PHE 13 -2.612 -12.143 -2.622 94 HE1 PHE 13 HE1 PHE 13 -2.460 -14.181 -7.097 95 HE2 PHE 13 HE2 PHE 13 -1.819 -14.457 -2.891 96 HZ PHE 13 HZ PHE 13 -1.741 -15.479 -5.130 97 H SER 14 HN SER 14 -3.140 -7.860 -2.747 98 HA SER 14 HA SER 14 -3.784 -5.601 -4.500 99 HB2 SER 14 HB2 SER 14 -5.619 -6.698 -2.359 100 HB3 SER 14 HB1 SER 14 -5.890 -5.209 -3.263 101 HG SER 14 HG SER 14 -5.442 -7.094 -5.039 102 HA PRO 15 HA PRO 15 -1.394 -4.001 -0.892 103 HB2 PRO 15 HB2 PRO 15 -0.107 -1.983 -2.135 104 HB3 PRO 15 HB1 PRO 15 0.415 -3.670 -2.304 105 HG2 PRO 15 HG2 PRO 15 -1.155 -1.983 -4.189 106 HG3 PRO 15 HG1 PRO 15 0.157 -3.131 -4.523 107 HD2 PRO 15 HD2 PRO 15 -2.506 -3.741 -4.834 108 HD3 PRO 15 HD1 PRO 15 -1.248 -4.949 -4.511 109 H LEU 16 HN LEU 16 -1.115 -1.584 -0.093 110 HA LEU 16 HA LEU 16 -3.751 -0.288 -0.333 111 HB2 LEU 16 HB2 LEU 16 -2.910 -1.314 1.907 112 HB3 LEU 16 HB1 LEU 16 -1.885 0.103 1.988 113 HG LEU 16 HG LEU 16 -4.768 0.613 1.527 114 HD11 LEU 16 HD11 LEU 16 -3.709 -0.363 4.176 115 HD12 LEU 16 HD12 LEU 16 -4.889 -1.186 3.155 116 HD13 LEU 16 HD13 LEU 16 -5.296 0.356 3.907 117 HD21 LEU 16 HD21 LEU 16 -3.142 2.427 1.755 118 HD22 LEU 16 HD22 LEU 16 -2.696 1.830 3.353 119 HD23 LEU 16 HD23 LEU 16 -4.320 2.453 3.066 Start of MODEL 4 1 H CYS 1 HN CYS 1 -4.070 2.071 -0.235 2 HA CYS 1 HA CYS 1 -1.543 3.506 -0.424 3 HB2 CYS 1 HB2 CYS 1 -2.719 2.405 -2.743 4 HB3 CYS 1 HB1 CYS 1 -3.075 4.127 -2.789 5 H PHE 2 HN PHE 2 -1.814 5.408 0.512 6 HA PHE 2 HA PHE 2 -4.520 6.481 0.812 7 HB2 PHE 2 HB2 PHE 2 -1.952 7.051 2.292 8 HB3 PHE 2 HB1 PHE 2 -3.428 7.975 2.541 9 HD1 PHE 2 HD1 PHE 2 -5.320 7.013 3.693 10 HD2 PHE 2 HD2 PHE 2 -1.768 4.757 3.055 11 HE1 PHE 2 HE1 PHE 2 -6.080 5.356 5.344 12 HE2 PHE 2 HE2 PHE 2 -2.522 3.096 4.704 13 HZ PHE 2 HZ PHE 2 -4.681 3.393 5.852 14 HA PRO 3 HA PRO 3 -3.524 9.819 -2.014 15 HB2 PRO 3 HB2 PRO 3 -5.631 11.503 -0.995 16 HB3 PRO 3 HB1 PRO 3 -5.646 10.500 -2.453 17 HG2 PRO 3 HG2 PRO 3 -7.213 10.035 -0.265 18 HG3 PRO 3 HG1 PRO 3 -6.722 8.790 -1.429 19 HD2 PRO 3 HD2 PRO 3 -5.583 9.404 1.267 20 HD3 PRO 3 HD1 PRO 3 -5.897 7.834 0.500 21 H ASP 4 HN ASP 4 -2.943 10.053 1.229 22 HA ASP 4 HA ASP 4 -2.421 12.906 1.351 23 HB2 ASP 4 HB2 ASP 4 -3.301 11.347 3.265 24 HB3 ASP 4 HB1 ASP 4 -1.594 10.984 3.494 25 H GLY 5 HN GLY 5 -0.620 9.906 1.192 26 HA2 GLY 5 HA2 GLY 5 1.491 10.243 -0.207 27 HA3 GLY 5 HA1 GLY 5 1.904 11.425 1.023 28 H ARG 6 HN ARG 6 0.276 8.462 1.885 29 HA ARG 6 HA ARG 6 2.802 7.317 2.855 30 HB2 ARG 6 HB2 ARG 6 0.254 7.704 4.429 31 HB3 ARG 6 HB1 ARG 6 1.480 6.538 4.904 32 HG2 ARG 6 HG2 ARG 6 3.120 8.334 5.115 33 HG3 ARG 6 HG1 ARG 6 1.903 9.509 4.616 34 HD2 ARG 6 HD2 ARG 6 1.567 7.720 7.015 35 HD3 ARG 6 HD1 ARG 6 2.322 9.311 7.107 36 HE ARG 6 HE ARG 6 -0.185 9.534 5.841 37 HH11 ARG 6 HH11 ARG 6 1.154 8.950 9.036 38 HH12 ARG 6 HH12 ARG 6 -0.222 9.607 9.857 39 HH21 ARG 6 HH21 ARG 6 -1.974 10.388 6.939 40 HH22 ARG 6 HH22 ARG 6 -1.991 10.420 8.671 41 H CYS 7 HN CYS 7 2.762 5.923 1.083 42 HA CYS 7 HA CYS 7 0.971 3.640 1.373 43 HB2 CYS 7 HB2 CYS 7 0.049 5.023 -0.431 44 HB3 CYS 7 HB1 CYS 7 1.614 5.058 -1.227 45 H LYS 8 HN LYS 8 1.772 1.681 0.604 46 HA LYS 8 HA LYS 8 4.565 1.555 -0.263 47 HB2 LYS 8 HB2 LYS 8 3.412 0.139 2.147 48 HB3 LYS 8 HB1 LYS 8 4.876 -0.407 1.344 49 HG2 LYS 8 HG2 LYS 8 5.940 1.743 1.818 50 HG3 LYS 8 HG1 LYS 8 4.469 2.289 2.626 51 HD2 LYS 8 HD2 LYS 8 4.699 0.490 4.265 52 HD3 LYS 8 HD1 LYS 8 6.161 -0.072 3.451 53 HE2 LYS 8 HE2 LYS 8 7.242 2.074 3.925 54 HE3 LYS 8 HE1 LYS 8 5.782 2.628 4.744 55 HZ1 LYS 8 HZ1 LYS 8 7.433 1.840 6.317 56 HZ2 LYS 8 HZ2 LYS 8 7.458 0.321 5.573 57 HZ3 LYS 8 HZ3 LYS 8 6.059 0.853 6.360 58 H ARG 9 HN ARG 9 4.643 0.366 -2.045 59 HA ARG 9 HA ARG 9 2.904 -1.979 -2.312 60 HB2 ARG 9 HB2 ARG 9 3.129 0.249 -4.340 61 HB3 ARG 9 HB1 ARG 9 2.459 -1.331 -4.710 62 HG2 ARG 9 HG2 ARG 9 0.672 -0.986 -3.116 63 HG3 ARG 9 HG1 ARG 9 1.374 0.555 -2.623 64 HD2 ARG 9 HD2 ARG 9 0.507 -0.032 -5.446 65 HD3 ARG 9 HD1 ARG 9 -0.566 0.677 -4.242 66 HE ARG 9 HE ARG 9 1.733 2.229 -4.288 67 HH11 ARG 9 HH11 ARG 9 -0.850 1.426 -6.527 68 HH12 ARG 9 HH12 ARG 9 -0.724 2.923 -7.388 69 HH21 ARG 9 HH21 ARG 9 1.886 4.179 -5.435 70 HH22 ARG 9 HH22 ARG 9 0.823 4.480 -6.771 71 HA PRO 10 HA PRO 10 7.078 -3.335 -3.636 72 HB2 PRO 10 HB2 PRO 10 5.978 -6.046 -3.378 73 HB3 PRO 10 HB1 PRO 10 7.324 -5.304 -2.497 74 HG2 PRO 10 HG2 PRO 10 4.998 -5.893 -1.306 75 HG3 PRO 10 HG1 PRO 10 5.982 -4.490 -0.837 76 HD2 PRO 10 HD2 PRO 10 3.523 -4.580 -2.544 77 HD3 PRO 10 HD1 PRO 10 3.981 -3.424 -1.274 78 HA PRO 11 HA PRO 11 6.250 -4.377 -7.913 79 HB2 PRO 11 HB2 PRO 11 8.399 -6.383 -8.027 80 HB3 PRO 11 HB1 PRO 11 8.295 -4.807 -8.833 81 HG2 PRO 11 HG2 PRO 11 10.027 -5.261 -6.848 82 HG3 PRO 11 HG1 PRO 11 9.244 -3.683 -7.079 83 HD2 PRO 11 HD2 PRO 11 8.570 -5.852 -5.127 84 HD3 PRO 11 HD1 PRO 11 8.658 -4.096 -4.877 85 H GLY 12 HN GLY 12 4.407 -5.450 -8.270 86 HA2 GLY 12 HA2 GLY 12 3.714 -7.645 -9.259 87 HA3 GLY 12 HA1 GLY 12 4.371 -8.368 -7.802 88 H PHE 13 HN PHE 13 3.383 -6.722 -5.828 89 HA PHE 13 HA PHE 13 0.460 -6.917 -6.153 90 HB2 PHE 13 HB2 PHE 13 1.713 -8.733 -4.725 91 HB3 PHE 13 HB1 PHE 13 1.754 -7.466 -3.505 92 HD1 PHE 13 HD1 PHE 13 -0.405 -9.709 -5.442 93 HD2 PHE 13 HD2 PHE 13 -0.243 -6.769 -2.369 94 HE1 PHE 13 HE1 PHE 13 -2.689 -10.312 -4.751 95 HE2 PHE 13 HE2 PHE 13 -2.527 -7.366 -1.673 96 HZ PHE 13 HZ PHE 13 -3.751 -9.139 -2.864 97 H SER 14 HN SER 14 -0.798 -5.578 -4.699 98 HA SER 14 HA SER 14 0.566 -3.294 -3.497 99 HB2 SER 14 HB2 SER 14 -1.673 -3.041 -5.523 100 HB3 SER 14 HB1 SER 14 -1.017 -1.710 -4.572 101 HG SER 14 HG SER 14 -0.070 -1.823 -6.649 102 HA PRO 15 HA PRO 15 -2.809 -4.579 -0.732 103 HB2 PRO 15 HB2 PRO 15 -1.814 -3.766 1.625 104 HB3 PRO 15 HB1 PRO 15 -1.195 -5.197 0.782 105 HG2 PRO 15 HG2 PRO 15 0.011 -2.516 1.070 106 HG3 PRO 15 HG1 PRO 15 0.790 -4.101 0.916 107 HD2 PRO 15 HD2 PRO 15 0.419 -2.202 -1.155 108 HD3 PRO 15 HD1 PRO 15 0.964 -3.879 -1.339 109 H LEU 16 HN LEU 16 -1.438 -1.458 0.284 110 HA LEU 16 HA LEU 16 -4.071 -0.206 -0.056 111 HB2 LEU 16 HB2 LEU 16 -2.417 -0.106 2.468 112 HB3 LEU 16 HB1 LEU 16 -3.766 0.964 2.145 113 HG LEU 16 HG LEU 16 -4.246 -1.981 2.034 114 HD11 LEU 16 HD11 LEU 16 -2.963 -1.707 4.083 115 HD12 LEU 16 HD12 LEU 16 -4.658 -2.030 4.448 116 HD13 LEU 16 HD13 LEU 16 -4.023 -0.391 4.587 117 HD21 LEU 16 HD21 LEU 16 -6.430 -1.307 2.907 118 HD22 LEU 16 HD22 LEU 16 -6.031 -0.421 1.435 119 HD23 LEU 16 HD23 LEU 16 -5.880 0.365 3.006 Start of MODEL 5 1 H CYS 1 HN CYS 1 -4.143 2.331 -1.022 2 HA CYS 1 HA CYS 1 -1.784 4.030 -1.237 3 HB2 CYS 1 HB2 CYS 1 -3.862 3.862 -3.332 4 HB3 CYS 1 HB1 CYS 1 -3.461 5.495 -2.807 5 H PHE 2 HN PHE 2 -1.872 5.595 0.207 6 HA PHE 2 HA PHE 2 -4.361 6.067 1.655 7 HB2 PHE 2 HB2 PHE 2 -1.480 6.773 2.235 8 HB3 PHE 2 HB1 PHE 2 -2.818 7.339 3.229 9 HD1 PHE 2 HD1 PHE 2 -4.037 5.816 4.658 10 HD2 PHE 2 HD2 PHE 2 -0.809 4.450 2.245 11 HE1 PHE 2 HE1 PHE 2 -3.952 3.731 5.961 12 HE2 PHE 2 HE2 PHE 2 -0.719 2.361 3.542 13 HZ PHE 2 HZ PHE 2 -2.292 1.999 5.402 14 HA PRO 3 HA PRO 3 -5.014 10.141 -0.085 15 HB2 PRO 3 HB2 PRO 3 -5.765 11.343 2.470 16 HB3 PRO 3 HB1 PRO 3 -6.800 10.912 1.098 17 HG2 PRO 3 HG2 PRO 3 -6.915 9.620 3.453 18 HG3 PRO 3 HG1 PRO 3 -7.240 8.822 1.900 19 HD2 PRO 3 HD2 PRO 3 -4.746 8.766 3.558 20 HD3 PRO 3 HD1 PRO 3 -5.575 7.437 2.722 21 H ASP 4 HN ASP 4 -2.422 9.606 1.784 22 HA ASP 4 HA ASP 4 -1.621 12.350 2.292 23 HB2 ASP 4 HB2 ASP 4 -0.283 9.698 2.811 24 HB3 ASP 4 HB1 ASP 4 0.505 11.241 3.125 25 H GLY 5 HN GLY 5 -1.062 9.861 -0.056 26 HA2 GLY 5 HA2 GLY 5 -0.395 10.802 -2.283 27 HA3 GLY 5 HA1 GLY 5 0.909 11.594 -1.417 28 H ARG 6 HN ARG 6 1.545 9.332 0.277 29 HA ARG 6 HA ARG 6 3.051 7.769 -1.680 30 HB2 ARG 6 HB2 ARG 6 3.333 8.172 1.290 31 HB3 ARG 6 HB1 ARG 6 4.232 6.928 0.434 32 HG2 ARG 6 HG2 ARG 6 5.229 8.662 -0.998 33 HG3 ARG 6 HG1 ARG 6 4.366 9.894 -0.075 34 HD2 ARG 6 HD2 ARG 6 5.537 9.196 1.953 35 HD3 ARG 6 HD1 ARG 6 6.388 7.953 1.040 36 HE ARG 6 HE ARG 6 6.796 10.520 -0.103 37 HH11 ARG 6 HH11 ARG 6 7.851 8.517 2.582 38 HH12 ARG 6 HH12 ARG 6 9.386 9.307 2.717 39 HH21 ARG 6 HH21 ARG 6 8.811 11.538 0.092 40 HH22 ARG 6 HH22 ARG 6 9.928 11.016 1.308 41 H CYS 7 HN CYS 7 3.097 5.533 -1.725 42 HA CYS 7 HA CYS 7 1.142 4.046 -0.144 43 HB2 CYS 7 HB2 CYS 7 1.440 3.552 -3.103 44 HB3 CYS 7 HB1 CYS 7 0.150 3.019 -2.032 45 H LYS 8 HN LYS 8 1.574 1.803 0.042 46 HA LYS 8 HA LYS 8 4.157 0.838 -0.958 47 HB2 LYS 8 HB2 LYS 8 3.315 0.918 1.941 48 HB3 LYS 8 HB1 LYS 8 4.563 -0.172 1.353 49 HG2 LYS 8 HG2 LYS 8 5.888 1.738 0.606 50 HG3 LYS 8 HG1 LYS 8 4.631 2.835 1.181 51 HD2 LYS 8 HD2 LYS 8 4.956 2.006 3.463 52 HD3 LYS 8 HD1 LYS 8 6.214 0.912 2.886 53 HE2 LYS 8 HE2 LYS 8 7.542 2.830 2.150 54 HE3 LYS 8 HE1 LYS 8 6.282 3.923 2.721 55 HZ1 LYS 8 HZ1 LYS 8 7.854 2.060 4.419 56 HZ2 LYS 8 HZ2 LYS 8 6.645 3.110 4.967 57 HZ3 LYS 8 HZ3 LYS 8 8.078 3.734 4.321 58 H ARG 9 HN ARG 9 4.383 -1.479 -0.922 59 HA ARG 9 HA ARG 9 1.947 -3.018 -0.431 60 HB2 ARG 9 HB2 ARG 9 2.262 -4.222 -2.640 61 HB3 ARG 9 HB1 ARG 9 1.665 -2.576 -2.746 62 HG2 ARG 9 HG2 ARG 9 3.871 -1.790 -3.405 63 HG3 ARG 9 HG1 ARG 9 4.522 -3.419 -3.228 64 HD2 ARG 9 HD2 ARG 9 4.143 -3.156 -5.531 65 HD3 ARG 9 HD1 ARG 9 2.794 -4.131 -4.952 66 HE ARG 9 HE ARG 9 1.988 -1.471 -4.856 67 HH11 ARG 9 HH11 ARG 9 2.897 -3.794 -7.331 68 HH12 ARG 9 HH12 ARG 9 1.906 -3.057 -8.546 69 HH21 ARG 9 HH21 ARG 9 0.700 -0.526 -6.464 70 HH22 ARG 9 HH22 ARG 9 0.664 -1.210 -8.055 71 HA PRO 10 HA PRO 10 5.539 -5.171 1.524 72 HB2 PRO 10 HB2 PRO 10 3.282 -6.554 2.876 73 HB3 PRO 10 HB1 PRO 10 4.741 -5.826 3.565 74 HG2 PRO 10 HG2 PRO 10 2.374 -4.642 3.801 75 HG3 PRO 10 HG1 PRO 10 3.868 -3.712 3.579 76 HD2 PRO 10 HD2 PRO 10 1.701 -4.289 1.620 77 HD3 PRO 10 HD1 PRO 10 2.713 -2.846 1.796 78 HA PRO 11 HA PRO 11 4.074 -9.456 -0.018 79 HB2 PRO 11 HB2 PRO 11 1.491 -9.427 -1.278 80 HB3 PRO 11 HB1 PRO 11 1.956 -10.234 0.229 81 HG2 PRO 11 HG2 PRO 11 0.214 -8.129 0.090 82 HG3 PRO 11 HG1 PRO 11 1.161 -8.559 1.528 83 HD2 PRO 11 HD2 PRO 11 1.691 -6.436 -0.513 84 HD3 PRO 11 HD1 PRO 11 1.882 -6.384 1.250 85 H GLY 12 HN GLY 12 2.583 -7.040 -2.111 86 HA2 GLY 12 HA2 GLY 12 3.417 -6.338 -4.210 87 HA3 GLY 12 HA1 GLY 12 4.375 -7.807 -4.292 88 H PHE 13 HN PHE 13 0.965 -7.848 -3.495 89 HA PHE 13 HA PHE 13 0.310 -8.821 -6.194 90 HB2 PHE 13 HB2 PHE 13 -0.434 -10.120 -3.568 91 HB3 PHE 13 HB1 PHE 13 -1.227 -10.504 -5.091 92 HD1 PHE 13 HD1 PHE 13 1.835 -10.823 -3.125 93 HD2 PHE 13 HD2 PHE 13 -0.072 -11.751 -6.815 94 HE1 PHE 13 HE1 PHE 13 3.588 -12.480 -3.609 95 HE2 PHE 13 HE2 PHE 13 1.678 -13.409 -7.307 96 HZ PHE 13 HZ PHE 13 3.511 -13.776 -5.702 97 H SER 14 HN SER 14 -0.938 -7.612 -3.105 98 HA SER 14 HA SER 14 -3.136 -6.298 -4.555 99 HB2 SER 14 HB2 SER 14 -3.924 -8.180 -3.111 100 HB3 SER 14 HB1 SER 14 -3.252 -7.342 -1.713 101 HG SER 14 HG SER 14 -4.733 -5.723 -1.977 102 HA PRO 15 HA PRO 15 -0.614 -3.006 -2.512 103 HB2 PRO 15 HB2 PRO 15 -0.807 -1.107 -4.403 104 HB3 PRO 15 HB1 PRO 15 0.287 -2.491 -4.588 105 HG2 PRO 15 HG2 PRO 15 -2.410 -2.052 -5.771 106 HG3 PRO 15 HG1 PRO 15 -0.930 -2.670 -6.534 107 HD2 PRO 15 HD2 PRO 15 -2.938 -4.303 -5.633 108 HD3 PRO 15 HD1 PRO 15 -1.238 -4.806 -5.719 109 H LEU 16 HN LEU 16 -1.081 -0.680 -2.038 110 HA LEU 16 HA LEU 16 -3.903 0.049 -1.896 111 HB2 LEU 16 HB2 LEU 16 -2.121 -0.235 0.534 112 HB3 LEU 16 HB1 LEU 16 -3.648 0.625 0.543 113 HG LEU 16 HG LEU 16 -4.466 -1.769 -0.417 114 HD11 LEU 16 HD11 LEU 16 -3.386 -3.538 0.866 115 HD12 LEU 16 HD12 LEU 16 -2.210 -2.380 1.488 116 HD13 LEU 16 HD13 LEU 16 -2.244 -2.765 -0.234 117 HD21 LEU 16 HD21 LEU 16 -5.226 -2.241 1.866 118 HD22 LEU 16 HD22 LEU 16 -5.472 -0.551 1.428 119 HD23 LEU 16 HD23 LEU 16 -4.131 -1.003 2.480 Start of MODEL 6 1 H CYS 1 HN CYS 1 -3.998 2.494 -0.965 2 HA CYS 1 HA CYS 1 -1.583 4.103 -0.746 3 HB2 CYS 1 HB2 CYS 1 -2.988 3.797 -3.259 4 HB3 CYS 1 HB1 CYS 1 -3.031 5.472 -2.716 5 H PHE 2 HN PHE 2 -1.897 5.791 0.533 6 HA PHE 2 HA PHE 2 -4.623 6.398 1.402 7 HB2 PHE 2 HB2 PHE 2 -1.917 6.998 2.605 8 HB3 PHE 2 HB1 PHE 2 -3.416 7.658 3.250 9 HD1 PHE 2 HD1 PHE 2 -5.009 6.241 4.397 10 HD2 PHE 2 HD2 PHE 2 -1.380 4.654 2.841 11 HE1 PHE 2 HE1 PHE 2 -5.328 4.206 5.741 12 HE2 PHE 2 HE2 PHE 2 -1.693 2.614 4.182 13 HZ PHE 2 HZ PHE 2 -3.669 2.388 5.634 14 HA PRO 3 HA PRO 3 -4.614 10.412 -0.579 15 HB2 PRO 3 HB2 PRO 3 -5.982 11.737 1.629 16 HB3 PRO 3 HB1 PRO 3 -6.633 11.249 0.056 17 HG2 PRO 3 HG2 PRO 3 -7.388 10.085 2.366 18 HG3 PRO 3 HG1 PRO 3 -7.344 9.222 0.815 19 HD2 PRO 3 HD2 PRO 3 -5.348 9.180 3.049 20 HD3 PRO 3 HD1 PRO 3 -5.989 7.835 2.082 21 H ASP 4 HN ASP 4 -2.657 9.876 1.959 22 HA ASP 4 HA ASP 4 -1.923 12.622 2.559 23 HB2 ASP 4 HB2 ASP 4 -0.913 9.968 3.574 24 HB3 ASP 4 HB1 ASP 4 -0.181 11.504 4.029 25 H GLY 5 HN GLY 5 -0.808 9.976 0.611 26 HA2 GLY 5 HA2 GLY 5 0.521 10.788 -1.367 27 HA3 GLY 5 HA1 GLY 5 1.562 11.556 -0.182 28 H ARG 6 HN ARG 6 1.493 9.328 1.691 29 HA ARG 6 HA ARG 6 3.453 7.624 0.357 30 HB2 ARG 6 HB2 ARG 6 2.736 8.069 3.249 31 HB3 ARG 6 HB1 ARG 6 3.804 6.768 2.744 32 HG2 ARG 6 HG2 ARG 6 5.330 8.412 1.755 33 HG3 ARG 6 HG1 ARG 6 4.263 9.710 2.294 34 HD2 ARG 6 HD2 ARG 6 4.601 9.029 4.617 35 HD3 ARG 6 HD1 ARG 6 5.657 7.722 4.083 36 HE ARG 6 HE ARG 6 6.601 10.196 3.098 37 HH11 ARG 6 HH11 ARG 6 6.423 8.374 6.096 38 HH12 ARG 6 HH12 ARG 6 7.825 9.131 6.773 39 HH21 ARG 6 HH21 ARG 6 8.433 11.175 4.006 40 HH22 ARG 6 HH22 ARG 6 8.961 10.716 5.591 41 H CYS 7 HN CYS 7 3.289 5.444 0.126 42 HA CYS 7 HA CYS 7 0.912 4.058 1.104 43 HB2 CYS 7 HB2 CYS 7 1.899 3.745 -1.738 44 HB3 CYS 7 HB1 CYS 7 0.404 3.128 -1.048 45 H LYS 8 HN LYS 8 1.091 1.664 0.769 46 HA LYS 8 HA LYS 8 3.840 0.647 0.718 47 HB2 LYS 8 HB2 LYS 8 1.848 0.232 2.952 48 HB3 LYS 8 HB1 LYS 8 3.208 -0.851 2.692 49 HG2 LYS 8 HG2 LYS 8 4.757 1.013 3.010 50 HG3 LYS 8 HG1 LYS 8 3.390 2.099 3.276 51 HD2 LYS 8 HD2 LYS 8 2.725 0.781 5.228 52 HD3 LYS 8 HD1 LYS 8 4.086 -0.309 4.959 53 HE2 LYS 8 HE2 LYS 8 5.639 1.555 5.292 54 HE3 LYS 8 HE1 LYS 8 4.276 2.640 5.564 55 HZ1 LYS 8 HZ1 LYS 8 4.972 0.288 7.238 56 HZ2 LYS 8 HZ2 LYS 8 3.665 1.330 7.501 57 HZ3 LYS 8 HZ3 LYS 8 5.249 1.907 7.646 58 H ARG 9 HN ARG 9 3.982 -1.625 0.246 59 HA ARG 9 HA ARG 9 1.518 -2.900 -0.697 60 HB2 ARG 9 HB2 ARG 9 3.997 -2.481 -2.369 61 HB3 ARG 9 HB1 ARG 9 2.739 -3.634 -2.783 62 HG2 ARG 9 HG2 ARG 9 1.117 -1.746 -2.835 63 HG3 ARG 9 HG1 ARG 9 2.470 -0.641 -2.594 64 HD2 ARG 9 HD2 ARG 9 3.502 -1.449 -4.655 65 HD3 ARG 9 HD1 ARG 9 2.163 -2.570 -4.893 66 HE ARG 9 HE ARG 9 1.133 0.029 -4.652 67 HH11 ARG 9 HH11 ARG 9 3.023 -1.861 -6.932 68 HH12 ARG 9 HH12 ARG 9 2.488 -0.951 -8.306 69 HH21 ARG 9 HH21 ARG 9 0.446 1.204 -6.464 70 HH22 ARG 9 HH22 ARG 9 1.030 0.782 -8.039 71 HA PRO 10 HA PRO 10 3.639 -6.218 1.587 72 HB2 PRO 10 HB2 PRO 10 1.297 -7.842 0.810 73 HB3 PRO 10 HB1 PRO 10 1.889 -7.435 2.430 74 HG2 PRO 10 HG2 PRO 10 -0.364 -6.388 1.471 75 HG3 PRO 10 HG1 PRO 10 0.731 -5.461 2.517 76 HD2 PRO 10 HD2 PRO 10 0.403 -5.328 -0.455 77 HD3 PRO 10 HD1 PRO 10 0.606 -4.015 0.724 78 HA PRO 11 HA PRO 11 5.303 -8.767 -1.708 79 HB2 PRO 11 HB2 PRO 11 5.504 -11.167 -0.063 80 HB3 PRO 11 HB1 PRO 11 6.795 -10.076 -0.596 81 HG2 PRO 11 HG2 PRO 11 6.040 -10.283 1.983 82 HG3 PRO 11 HG1 PRO 11 6.673 -8.782 1.276 83 HD2 PRO 11 HD2 PRO 11 3.829 -9.555 1.815 84 HD3 PRO 11 HD1 PRO 11 4.655 -8.011 2.112 85 H GLY 12 HN GLY 12 2.246 -9.307 -0.669 86 HA2 GLY 12 HA2 GLY 12 1.845 -11.812 -2.146 87 HA3 GLY 12 HA1 GLY 12 0.692 -11.072 -1.046 88 H PHE 13 HN PHE 13 -0.913 -9.918 -1.873 89 HA PHE 13 HA PHE 13 -0.688 -8.735 -4.539 90 HB2 PHE 13 HB2 PHE 13 -2.790 -10.765 -3.753 91 HB3 PHE 13 HB1 PHE 13 -2.958 -9.698 -5.142 92 HD1 PHE 13 HD1 PHE 13 -1.289 -12.634 -3.786 93 HD2 PHE 13 HD2 PHE 13 -1.528 -9.978 -7.103 94 HE1 PHE 13 HE1 PHE 13 -0.051 -14.251 -5.165 95 HE2 PHE 13 HE2 PHE 13 -0.291 -11.591 -8.489 96 HZ PHE 13 HZ PHE 13 0.449 -13.731 -7.520 97 H SER 14 HN SER 14 -2.711 -7.420 -5.067 98 HA SER 14 HA SER 14 -4.150 -5.730 -4.657 99 HB2 SER 14 HB2 SER 14 -4.542 -7.046 -1.963 100 HB3 SER 14 HB1 SER 14 -5.545 -5.749 -2.612 101 HG SER 14 HG SER 14 -5.141 -8.156 -4.032 102 HA PRO 15 HA PRO 15 -1.056 -3.143 -2.440 103 HB2 PRO 15 HB2 PRO 15 -0.948 -1.078 -4.153 104 HB3 PRO 15 HB1 PRO 15 -0.150 -2.619 -4.521 105 HG2 PRO 15 HG2 PRO 15 -2.748 -1.559 -5.516 106 HG3 PRO 15 HG1 PRO 15 -1.448 -2.380 -6.406 107 HD2 PRO 15 HD2 PRO 15 -3.717 -3.658 -5.523 108 HD3 PRO 15 HD1 PRO 15 -2.164 -4.476 -5.786 109 H LEU 16 HN LEU 16 -1.140 -0.729 -1.788 110 HA LEU 16 HA LEU 16 -3.857 0.298 -1.460 111 HB2 LEU 16 HB2 LEU 16 -2.015 -0.383 0.827 112 HB3 LEU 16 HB1 LEU 16 -3.352 0.739 0.992 113 HG LEU 16 HG LEU 16 -4.649 -1.397 -0.049 114 HD11 LEU 16 HD11 LEU 16 -3.848 -3.411 1.064 115 HD12 LEU 16 HD12 LEU 16 -2.446 -2.528 1.668 116 HD13 LEU 16 HD13 LEU 16 -2.646 -2.787 -0.065 117 HD21 LEU 16 HD21 LEU 16 -5.319 -0.139 1.914 118 HD22 LEU 16 HD22 LEU 16 -4.028 -0.887 2.856 119 HD23 LEU 16 HD23 LEU 16 -5.361 -1.870 2.251 Start of MODEL 7 1 H CYS 1 HN CYS 1 -4.181 2.080 -0.422 2 HA CYS 1 HA CYS 1 -1.681 3.556 -0.264 3 HB2 CYS 1 HB2 CYS 1 -3.160 3.119 -2.792 4 HB3 CYS 1 HB1 CYS 1 -2.640 4.772 -2.476 5 H PHE 2 HN PHE 2 -1.954 5.414 0.749 6 HA PHE 2 HA PHE 2 -4.635 6.273 1.458 7 HB2 PHE 2 HB2 PHE 2 -1.885 7.131 2.369 8 HB3 PHE 2 HB1 PHE 2 -3.359 7.923 2.916 9 HD1 PHE 2 HD1 PHE 2 -4.883 6.807 4.429 10 HD2 PHE 2 HD2 PHE 2 -1.320 4.896 3.098 11 HE1 PHE 2 HE1 PHE 2 -5.124 5.125 6.209 12 HE2 PHE 2 HE2 PHE 2 -1.555 3.211 4.875 13 HZ PHE 2 HZ PHE 2 -3.459 3.324 6.433 14 HA PRO 3 HA PRO 3 -4.868 9.754 -1.347 15 HB2 PRO 3 HB2 PRO 3 -5.892 11.569 0.721 16 HB3 PRO 3 HB1 PRO 3 -6.731 10.888 -0.683 17 HG2 PRO 3 HG2 PRO 3 -7.333 10.146 1.814 18 HG3 PRO 3 HG1 PRO 3 -7.409 9.017 0.447 19 HD2 PRO 3 HD2 PRO 3 -5.267 9.320 2.519 20 HD3 PRO 3 HD1 PRO 3 -6.003 7.842 1.865 21 H ASP 4 HN ASP 4 -2.720 9.823 1.188 22 HA ASP 4 HA ASP 4 -1.804 12.559 0.856 23 HB2 ASP 4 HB2 ASP 4 -0.853 10.276 2.584 24 HB3 ASP 4 HB1 ASP 4 -0.019 11.825 2.505 25 H GLY 5 HN GLY 5 -1.091 9.444 -0.415 26 HA2 GLY 5 HA2 GLY 5 0.155 9.372 -2.511 27 HA3 GLY 5 HA1 GLY 5 1.245 10.566 -1.831 28 H ARG 6 HN ARG 6 0.973 8.851 0.777 29 HA ARG 6 HA ARG 6 3.204 7.079 0.094 30 HB2 ARG 6 HB2 ARG 6 2.219 8.223 2.700 31 HB3 ARG 6 HB1 ARG 6 3.388 6.911 2.648 32 HG2 ARG 6 HG2 ARG 6 4.900 8.339 1.332 33 HG3 ARG 6 HG1 ARG 6 3.735 9.659 1.462 34 HD2 ARG 6 HD2 ARG 6 3.951 9.620 3.891 35 HD3 ARG 6 HD1 ARG 6 5.091 8.280 3.777 36 HE ARG 6 HE ARG 6 5.948 10.532 2.254 37 HH11 ARG 6 HH11 ARG 6 5.847 9.287 5.537 38 HH12 ARG 6 HH12 ARG 6 7.214 10.217 6.053 39 HH21 ARG 6 HH21 ARG 6 7.735 11.738 2.952 40 HH22 ARG 6 HH22 ARG 6 8.281 11.603 4.590 41 H CYS 7 HN CYS 7 3.162 4.923 0.342 42 HA CYS 7 HA CYS 7 0.847 3.622 1.571 43 HB2 CYS 7 HB2 CYS 7 1.913 2.539 -1.020 44 HB3 CYS 7 HB1 CYS 7 0.328 2.309 -0.293 45 H LYS 8 HN LYS 8 1.325 1.724 2.623 46 HA LYS 8 HA LYS 8 3.948 0.499 2.256 47 HB2 LYS 8 HB2 LYS 8 3.034 1.749 4.843 48 HB3 LYS 8 HB1 LYS 8 4.235 0.466 4.811 49 HG2 LYS 8 HG2 LYS 8 5.686 1.848 3.418 50 HG3 LYS 8 HG1 LYS 8 4.476 3.132 3.429 51 HD2 LYS 8 HD2 LYS 8 4.684 3.299 5.866 52 HD3 LYS 8 HD1 LYS 8 5.902 2.022 5.847 53 HE2 LYS 8 HE2 LYS 8 7.348 3.423 4.457 54 HE3 LYS 8 HE1 LYS 8 6.128 4.697 4.471 55 HZ1 LYS 8 HZ1 LYS 8 7.863 5.119 6.094 56 HZ2 LYS 8 HZ2 LYS 8 7.552 3.641 6.855 57 HZ3 LYS 8 HZ3 LYS 8 6.381 4.862 6.870 58 H ARG 9 HN ARG 9 3.435 -1.522 1.825 59 HA ARG 9 HA ARG 9 2.060 -3.134 3.779 60 HB2 ARG 9 HB2 ARG 9 0.809 -2.474 1.150 61 HB3 ARG 9 HB1 ARG 9 0.650 -4.122 1.740 62 HG2 ARG 9 HG2 ARG 9 -0.225 -3.093 3.900 63 HG3 ARG 9 HG1 ARG 9 -0.359 -1.587 2.989 64 HD2 ARG 9 HD2 ARG 9 -1.850 -2.638 1.404 65 HD3 ARG 9 HD1 ARG 9 -1.644 -4.197 2.197 66 HE ARG 9 HE ARG 9 -2.613 -2.238 4.013 67 HH11 ARG 9 HH11 ARG 9 -3.681 -4.343 1.412 68 HH12 ARG 9 HH12 ARG 9 -5.316 -4.408 1.982 69 HH21 ARG 9 HH21 ARG 9 -4.758 -2.338 4.740 70 HH22 ARG 9 HH22 ARG 9 -5.924 -3.274 3.864 71 HA PRO 10 HA PRO 10 4.923 -6.149 2.144 72 HB2 PRO 10 HB2 PRO 10 3.146 -8.395 2.728 73 HB3 PRO 10 HB1 PRO 10 4.634 -7.915 3.561 74 HG2 PRO 10 HG2 PRO 10 2.209 -7.722 4.711 75 HG3 PRO 10 HG1 PRO 10 3.539 -6.601 5.069 76 HD2 PRO 10 HD2 PRO 10 1.182 -6.209 3.263 77 HD3 PRO 10 HD1 PRO 10 1.908 -5.087 4.434 78 HA PRO 11 HA PRO 11 3.693 -7.436 -1.968 79 HB2 PRO 11 HB2 PRO 11 5.246 -9.923 -1.846 80 HB3 PRO 11 HB1 PRO 11 5.544 -8.469 -2.814 81 HG2 PRO 11 HG2 PRO 11 7.137 -9.165 -0.776 82 HG3 PRO 11 HG1 PRO 11 6.809 -7.471 -1.192 83 HD2 PRO 11 HD2 PRO 11 5.612 -9.137 0.989 84 HD3 PRO 11 HD1 PRO 11 6.184 -7.456 1.037 85 H GLY 12 HN GLY 12 1.809 -8.241 -2.586 86 HA2 GLY 12 HA2 GLY 12 1.090 -10.995 -1.926 87 HA3 GLY 12 HA1 GLY 12 0.002 -9.734 -1.367 88 H PHE 13 HN PHE 13 -1.514 -8.980 -2.714 89 HA PHE 13 HA PHE 13 -1.269 -9.509 -5.591 90 HB2 PHE 13 HB2 PHE 13 -3.632 -10.249 -3.858 91 HB3 PHE 13 HB1 PHE 13 -3.707 -10.167 -5.614 92 HD1 PHE 13 HD1 PHE 13 -2.605 -11.827 -6.987 93 HD2 PHE 13 HD2 PHE 13 -2.428 -12.022 -2.739 94 HE1 PHE 13 HE1 PHE 13 -1.807 -14.150 -7.130 95 HE2 PHE 13 HE2 PHE 13 -1.628 -14.344 -2.874 96 HZ PHE 13 HZ PHE 13 -1.318 -15.412 -5.072 97 H SER 14 HN SER 14 -2.989 -7.779 -3.013 98 HA SER 14 HA SER 14 -3.317 -5.499 -4.820 99 HB2 SER 14 HB2 SER 14 -5.525 -6.621 -3.080 100 HB3 SER 14 HB1 SER 14 -5.617 -5.114 -3.992 101 HG SER 14 HG SER 14 -4.838 -7.208 -5.542 102 HA PRO 15 HA PRO 15 -1.647 -3.957 -0.804 103 HB2 PRO 15 HB2 PRO 15 -0.175 -1.906 -1.755 104 HB3 PRO 15 HB1 PRO 15 0.389 -3.585 -1.851 105 HG2 PRO 15 HG2 PRO 15 -0.820 -1.876 -3.967 106 HG3 PRO 15 HG1 PRO 15 0.540 -3.013 -4.071 107 HD2 PRO 15 HD2 PRO 15 -2.016 -3.627 -4.879 108 HD3 PRO 15 HD1 PRO 15 -0.829 -4.835 -4.351 109 H LEU 16 HN LEU 16 -1.540 -1.545 0.072 110 HA LEU 16 HA LEU 16 -4.084 -0.243 -0.661 111 HB2 LEU 16 HB2 LEU 16 -3.780 -1.354 1.662 112 HB3 LEU 16 HB1 LEU 16 -2.759 0.022 2.025 113 HG LEU 16 HG LEU 16 -4.880 1.394 1.241 114 HD11 LEU 16 HD11 LEU 16 -6.187 -0.541 0.546 115 HD12 LEU 16 HD12 LEU 16 -6.964 0.293 1.891 116 HD13 LEU 16 HD13 LEU 16 -6.085 -1.210 2.175 117 HD21 LEU 16 HD21 LEU 16 -5.619 1.463 3.579 118 HD22 LEU 16 HD22 LEU 16 -3.862 1.530 3.443 119 HD23 LEU 16 HD23 LEU 16 -4.653 0.027 3.920 Start of MODEL 8 1 H CYS 1 HN CYS 1 -4.134 3.027 1.649 2 HA CYS 1 HA CYS 1 -1.616 3.688 0.348 3 HB2 CYS 1 HB2 CYS 1 -3.069 1.752 -0.863 4 HB3 CYS 1 HB1 CYS 1 -3.803 3.182 -1.583 5 H PHE 2 HN PHE 2 -1.484 5.795 0.201 6 HA PHE 2 HA PHE 2 -3.933 7.361 -0.235 7 HB2 PHE 2 HB2 PHE 2 -1.781 7.760 1.805 8 HB3 PHE 2 HB1 PHE 2 -2.649 9.156 1.177 9 HD1 PHE 2 HD1 PHE 2 -2.917 6.088 3.163 10 HD2 PHE 2 HD2 PHE 2 -4.963 9.529 1.712 11 HE1 PHE 2 HE1 PHE 2 -4.744 5.673 4.760 12 HE2 PHE 2 HE2 PHE 2 -6.790 9.119 3.307 13 HZ PHE 2 HZ PHE 2 -6.682 7.190 4.834 14 HA PRO 3 HA PRO 3 -1.297 8.907 -3.597 15 HB2 PRO 3 HB2 PRO 3 -3.433 10.721 -4.374 16 HB3 PRO 3 HB1 PRO 3 -2.854 9.271 -5.213 17 HG2 PRO 3 HG2 PRO 3 -5.296 9.426 -4.072 18 HG3 PRO 3 HG1 PRO 3 -4.385 7.910 -4.222 19 HD2 PRO 3 HD2 PRO 3 -4.688 9.700 -1.840 20 HD3 PRO 3 HD1 PRO 3 -4.751 7.927 -1.941 21 H ASP 4 HN ASP 4 -2.663 10.789 -1.082 22 HA ASP 4 HA ASP 4 -1.296 13.240 -1.884 23 HB2 ASP 4 HB2 ASP 4 -3.227 12.626 0.348 24 HB3 ASP 4 HB1 ASP 4 -2.402 14.174 0.202 25 H GLY 5 HN GLY 5 -1.046 10.654 0.412 26 HA2 GLY 5 HA2 GLY 5 1.248 11.977 1.714 27 HA3 GLY 5 HA1 GLY 5 0.281 10.704 2.443 28 H ARG 6 HN ARG 6 1.224 8.797 2.518 29 HA ARG 6 HA ARG 6 3.028 7.989 0.338 30 HB2 ARG 6 HB2 ARG 6 3.532 7.798 3.305 31 HB3 ARG 6 HB1 ARG 6 4.398 6.806 2.142 32 HG2 ARG 6 HG2 ARG 6 5.268 8.816 1.065 33 HG3 ARG 6 HG1 ARG 6 4.389 9.818 2.220 34 HD2 ARG 6 HD2 ARG 6 5.669 8.818 4.053 35 HD3 ARG 6 HD1 ARG 6 6.552 7.825 2.893 36 HE ARG 6 HE ARG 6 6.842 10.494 2.132 37 HH11 ARG 6 HH11 ARG 6 7.830 8.429 4.797 38 HH12 ARG 6 HH12 ARG 6 9.259 9.348 5.130 39 HH21 ARG 6 HH21 ARG 6 8.719 11.681 2.586 40 HH22 ARG 6 HH22 ARG 6 9.761 11.188 3.878 41 H CYS 7 HN CYS 7 3.096 5.775 -0.118 42 HA CYS 7 HA CYS 7 1.260 4.024 1.309 43 HB2 CYS 7 HB2 CYS 7 -0.026 4.844 -0.580 44 HB3 CYS 7 HB1 CYS 7 1.300 4.504 -1.681 45 H LYS 8 HN LYS 8 1.681 1.840 1.160 46 HA LYS 8 HA LYS 8 4.106 0.946 -0.217 47 HB2 LYS 8 HB2 LYS 8 3.544 0.642 2.738 48 HB3 LYS 8 HB1 LYS 8 4.673 -0.400 1.882 49 HG2 LYS 8 HG2 LYS 8 6.014 1.554 1.275 50 HG3 LYS 8 HG1 LYS 8 4.884 2.594 2.145 51 HD2 LYS 8 HD2 LYS 8 5.401 1.412 4.225 52 HD3 LYS 8 HD1 LYS 8 6.527 0.369 3.355 53 HE2 LYS 8 HE2 LYS 8 7.876 2.325 2.765 54 HE3 LYS 8 HE1 LYS 8 6.750 3.365 3.637 55 HZ1 LYS 8 HZ1 LYS 8 7.307 2.190 5.676 56 HZ2 LYS 8 HZ2 LYS 8 8.695 2.854 4.972 57 HZ3 LYS 8 HZ3 LYS 8 8.388 1.196 4.837 58 H ARG 9 HN ARG 9 4.022 -1.194 -0.889 59 HA ARG 9 HA ARG 9 1.673 -2.776 -0.140 60 HB2 ARG 9 HB2 ARG 9 2.424 -2.003 -2.956 61 HB3 ARG 9 HB1 ARG 9 1.411 -3.395 -2.605 62 HG2 ARG 9 HG2 ARG 9 -0.224 -1.940 -1.521 63 HG3 ARG 9 HG1 ARG 9 0.797 -0.541 -1.861 64 HD2 ARG 9 HD2 ARG 9 0.578 -0.970 -4.261 65 HD3 ARG 9 HD1 ARG 9 -0.444 -2.365 -3.918 66 HE ARG 9 HE ARG 9 -1.576 -0.129 -2.680 67 HH11 ARG 9 HH11 ARG 9 -1.001 -1.298 -5.942 68 HH12 ARG 9 HH12 ARG 9 -2.360 -0.453 -6.607 69 HH21 ARG 9 HH21 ARG 9 -3.348 0.968 -3.572 70 HH22 ARG 9 HH22 ARG 9 -3.685 0.828 -5.266 71 HA PRO 10 HA PRO 10 5.314 -5.590 -0.124 72 HB2 PRO 10 HB2 PRO 10 3.774 -7.146 1.820 73 HB3 PRO 10 HB1 PRO 10 5.337 -6.339 2.036 74 HG2 PRO 10 HG2 PRO 10 3.099 -5.498 3.266 75 HG3 PRO 10 HG1 PRO 10 4.396 -4.394 2.765 76 HD2 PRO 10 HD2 PRO 10 1.776 -4.951 1.427 77 HD3 PRO 10 HD1 PRO 10 2.613 -3.403 1.681 78 HA PRO 11 HA PRO 11 3.597 -8.835 -2.686 79 HB2 PRO 11 HB2 PRO 11 5.296 -10.930 -1.537 80 HB3 PRO 11 HB1 PRO 11 5.374 -10.187 -3.145 81 HG2 PRO 11 HG2 PRO 11 7.266 -9.772 -1.289 82 HG3 PRO 11 HG1 PRO 11 6.799 -8.533 -2.472 83 HD2 PRO 11 HD2 PRO 11 5.993 -8.790 0.401 84 HD3 PRO 11 HD1 PRO 11 6.481 -7.345 -0.510 85 H GLY 12 HN GLY 12 1.572 -9.448 -2.270 86 HA2 GLY 12 HA2 GLY 12 0.133 -11.277 -1.681 87 HA3 GLY 12 HA1 GLY 12 1.145 -11.573 -0.278 88 H PHE 13 HN PHE 13 1.294 -9.041 0.839 89 HA PHE 13 HA PHE 13 -1.494 -8.646 1.693 90 HB2 PHE 13 HB2 PHE 13 1.119 -8.181 3.130 91 HB3 PHE 13 HB1 PHE 13 -0.425 -7.600 3.743 92 HD1 PHE 13 HD1 PHE 13 -2.076 -9.139 4.615 93 HD2 PHE 13 HD2 PHE 13 1.658 -10.537 3.127 94 HE1 PHE 13 HE1 PHE 13 -2.466 -11.316 5.693 95 HE2 PHE 13 HE2 PHE 13 1.274 -12.717 4.202 96 HZ PHE 13 HZ PHE 13 -0.790 -13.109 5.487 97 H SER 14 HN SER 14 -2.304 -6.571 2.087 98 HA SER 14 HA SER 14 -0.812 -4.274 1.075 99 HB2 SER 14 HB2 SER 14 -3.585 -5.022 0.107 100 HB3 SER 14 HB1 SER 14 -2.743 -3.521 -0.279 101 HG SER 14 HG SER 14 -1.331 -4.614 -1.521 102 HA PRO 15 HA PRO 15 -3.077 -3.017 4.827 103 HB2 PRO 15 HB2 PRO 15 -1.428 -1.097 5.735 104 HB3 PRO 15 HB1 PRO 15 -1.048 -2.821 5.886 105 HG2 PRO 15 HG2 PRO 15 0.080 -0.803 4.047 106 HG3 PRO 15 HG1 PRO 15 0.833 -2.245 4.751 107 HD2 PRO 15 HD2 PRO 15 -0.239 -2.015 2.139 108 HD3 PRO 15 HD1 PRO 15 0.278 -3.508 2.944 109 H LEU 16 HN LEU 16 -1.576 -0.040 3.652 110 HA LEU 16 HA LEU 16 -4.211 1.015 2.916 111 HB2 LEU 16 HB2 LEU 16 -3.918 3.055 4.155 112 HB3 LEU 16 HB1 LEU 16 -3.766 1.699 5.247 113 HG LEU 16 HG LEU 16 -1.328 3.084 4.134 114 HD11 LEU 16 HD11 LEU 16 -1.303 4.408 6.231 115 HD12 LEU 16 HD12 LEU 16 -2.946 3.854 6.555 116 HD13 LEU 16 HD13 LEU 16 -2.611 4.839 5.131 117 HD21 LEU 16 HD21 LEU 16 -1.874 1.355 6.543 118 HD22 LEU 16 HD22 LEU 16 -0.393 2.290 6.340 119 HD23 LEU 16 HD23 LEU 16 -0.799 1.022 5.185 Start of MODEL 9 1 H CYS 1 HN CYS 1 -3.994 1.983 -0.402 2 HA CYS 1 HA CYS 1 -1.590 3.530 -0.924 3 HB2 CYS 1 HB2 CYS 1 -2.949 2.373 -3.077 4 HB3 CYS 1 HB1 CYS 1 -3.476 4.052 -3.059 5 H PHE 2 HN PHE 2 -1.806 5.249 0.270 6 HA PHE 2 HA PHE 2 -4.475 6.404 0.678 7 HB2 PHE 2 HB2 PHE 2 -2.627 5.741 2.540 8 HB3 PHE 2 HB1 PHE 2 -2.194 7.424 2.261 9 HD1 PHE 2 HD1 PHE 2 -3.729 9.218 2.847 10 HD2 PHE 2 HD2 PHE 2 -4.725 5.142 3.560 11 HE1 PHE 2 HE1 PHE 2 -5.549 9.928 4.341 12 HE2 PHE 2 HE2 PHE 2 -6.547 5.845 5.054 13 HZ PHE 2 HZ PHE 2 -6.962 8.240 5.446 14 HA PRO 3 HA PRO 3 -3.118 9.793 -1.989 15 HB2 PRO 3 HB2 PRO 3 -5.419 11.362 -1.149 16 HB3 PRO 3 HB1 PRO 3 -5.117 10.592 -2.716 17 HG2 PRO 3 HG2 PRO 3 -7.056 9.764 -1.035 18 HG3 PRO 3 HG1 PRO 3 -6.205 8.674 -2.147 19 HD2 PRO 3 HD2 PRO 3 -5.769 9.091 0.786 20 HD3 PRO 3 HD1 PRO 3 -5.812 7.581 -0.150 21 H ASP 4 HN ASP 4 -3.858 10.221 1.368 22 HA ASP 4 HA ASP 4 -2.419 12.789 1.424 23 HB2 ASP 4 HB2 ASP 4 -4.850 12.469 2.357 24 HB3 ASP 4 HB1 ASP 4 -4.024 11.764 3.741 25 H GLY 5 HN GLY 5 -2.126 9.499 2.221 26 HA2 GLY 5 HA2 GLY 5 0.010 10.064 4.182 27 HA3 GLY 5 HA1 GLY 5 -0.918 8.573 4.131 28 H ARG 6 HN ARG 6 0.746 7.166 3.878 29 HA ARG 6 HA ARG 6 2.472 7.489 1.515 30 HB2 ARG 6 HB2 ARG 6 2.867 5.990 4.103 31 HB3 ARG 6 HB1 ARG 6 3.880 5.707 2.695 32 HG2 ARG 6 HG2 ARG 6 4.588 8.041 2.721 33 HG3 ARG 6 HG1 ARG 6 3.552 8.345 4.116 34 HD2 ARG 6 HD2 ARG 6 5.719 8.044 4.991 35 HD3 ARG 6 HD1 ARG 6 4.868 6.533 5.307 36 HE ARG 6 HE ARG 6 6.215 6.294 2.863 37 HH11 ARG 6 HH11 ARG 6 6.999 6.562 6.276 38 HH12 ARG 6 HH12 ARG 6 8.488 5.691 6.119 39 HH21 ARG 6 HH21 ARG 6 8.167 5.157 2.682 40 HH22 ARG 6 HH22 ARG 6 9.148 4.897 4.086 41 H CYS 7 HN CYS 7 2.951 5.614 0.232 42 HA CYS 7 HA CYS 7 1.111 3.366 0.459 43 HB2 CYS 7 HB2 CYS 7 0.084 4.959 -1.117 44 HB3 CYS 7 HB1 CYS 7 1.564 4.993 -2.062 45 H LYS 8 HN LYS 8 2.560 1.816 0.890 46 HA LYS 8 HA LYS 8 4.449 1.042 -1.172 47 HB2 LYS 8 HB2 LYS 8 5.330 1.877 1.589 48 HB3 LYS 8 HB1 LYS 8 6.259 0.717 0.652 49 HG2 LYS 8 HG2 LYS 8 6.546 2.371 -1.121 50 HG3 LYS 8 HG1 LYS 8 5.603 3.534 -0.187 51 HD2 LYS 8 HD2 LYS 8 7.268 3.440 1.606 52 HD3 LYS 8 HD1 LYS 8 8.209 2.277 0.670 53 HE2 LYS 8 HE2 LYS 8 8.500 3.943 -1.099 54 HE3 LYS 8 HE1 LYS 8 7.560 5.104 -0.160 55 HZ1 LYS 8 HZ1 LYS 8 10.139 3.890 0.678 56 HZ2 LYS 8 HZ2 LYS 8 9.241 5.011 1.570 57 HZ3 LYS 8 HZ3 LYS 8 9.934 5.466 0.097 58 H ARG 9 HN ARG 9 4.006 -1.027 -1.499 59 HA ARG 9 HA ARG 9 3.813 -2.853 0.771 60 HB2 ARG 9 HB2 ARG 9 1.652 -2.484 -1.299 61 HB3 ARG 9 HB1 ARG 9 1.828 -3.990 -0.410 62 HG2 ARG 9 HG2 ARG 9 1.615 -1.405 1.076 63 HG3 ARG 9 HG1 ARG 9 0.167 -2.166 0.422 64 HD2 ARG 9 HD2 ARG 9 0.366 -2.905 2.665 65 HD3 ARG 9 HD1 ARG 9 0.847 -4.261 1.649 66 HE ARG 9 HE ARG 9 3.099 -2.708 2.419 67 HH11 ARG 9 HH11 ARG 9 0.881 -5.127 3.668 68 HH12 ARG 9 HH12 ARG 9 2.017 -5.738 4.825 69 HH21 ARG 9 HH21 ARG 9 4.570 -3.523 3.940 70 HH22 ARG 9 HH22 ARG 9 4.103 -4.829 4.977 71 HA PRO 10 HA PRO 10 6.744 -4.817 -2.131 72 HB2 PRO 10 HB2 PRO 10 6.591 -6.940 -0.047 73 HB3 PRO 10 HB1 PRO 10 8.008 -6.184 -0.793 74 HG2 PRO 10 HG2 PRO 10 7.271 -5.566 1.681 75 HG3 PRO 10 HG1 PRO 10 7.944 -4.353 0.576 76 HD2 PRO 10 HD2 PRO 10 5.132 -4.732 1.464 77 HD3 PRO 10 HD1 PRO 10 6.001 -3.245 1.047 78 HA PRO 11 HA PRO 11 4.046 -8.782 -2.784 79 HB2 PRO 11 HB2 PRO 11 1.573 -8.532 -1.261 80 HB3 PRO 11 HB1 PRO 11 2.783 -9.826 -1.203 81 HG2 PRO 11 HG2 PRO 11 2.369 -8.137 0.854 82 HG3 PRO 11 HG1 PRO 11 3.953 -8.854 0.495 83 HD2 PRO 11 HD2 PRO 11 2.932 -6.116 -0.169 84 HD3 PRO 11 HD1 PRO 11 4.510 -6.604 0.477 85 H GLY 12 HN GLY 12 2.316 -9.202 -4.263 86 HA2 GLY 12 HA2 GLY 12 0.866 -6.769 -5.116 87 HA3 GLY 12 HA1 GLY 12 1.557 -7.920 -6.249 88 H PHE 13 HN PHE 13 -0.493 -8.197 -3.343 89 HA PHE 13 HA PHE 13 -2.485 -9.627 -4.970 90 HB2 PHE 13 HB2 PHE 13 -1.446 -10.400 -2.239 91 HB3 PHE 13 HB1 PHE 13 -2.928 -11.057 -2.924 92 HD1 PHE 13 HD1 PHE 13 -2.861 -12.623 -4.764 93 HD2 PHE 13 HD2 PHE 13 0.721 -11.020 -3.119 94 HE1 PHE 13 HE1 PHE 13 -1.559 -14.362 -5.917 95 HE2 PHE 13 HE2 PHE 13 2.031 -12.755 -4.270 96 HZ PHE 13 HZ PHE 13 0.891 -14.430 -5.671 97 H SER 14 HN SER 14 -1.967 -8.039 -1.809 98 HA SER 14 HA SER 14 -4.502 -6.619 -2.154 99 HB2 SER 14 HB2 SER 14 -3.752 -8.138 0.363 100 HB3 SER 14 HB1 SER 14 -5.143 -7.067 0.202 101 HG SER 14 HG SER 14 -5.264 -9.535 -0.209 102 HA PRO 15 HA PRO 15 -1.088 -3.867 -0.565 103 HB2 PRO 15 HB2 PRO 15 -0.908 -2.139 -2.622 104 HB3 PRO 15 HB1 PRO 15 -0.107 -3.721 -2.664 105 HG2 PRO 15 HG2 PRO 15 -2.604 -2.832 -4.003 106 HG3 PRO 15 HG1 PRO 15 -1.323 -3.910 -4.593 107 HD2 PRO 15 HD2 PRO 15 -3.753 -4.769 -3.521 108 HD3 PRO 15 HD1 PRO 15 -2.291 -5.764 -3.656 109 H LEU 16 HN LEU 16 -1.110 -1.353 -0.439 110 HA LEU 16 HA LEU 16 -3.839 -0.290 -0.217 111 HB2 LEU 16 HB2 LEU 16 -1.723 -0.203 1.939 112 HB3 LEU 16 HB1 LEU 16 -3.168 0.787 1.955 113 HG LEU 16 HG LEU 16 -3.475 -2.180 1.769 114 HD11 LEU 16 HD11 LEU 16 -3.427 -2.345 4.214 115 HD12 LEU 16 HD12 LEU 16 -2.875 -0.673 4.310 116 HD13 LEU 16 HD13 LEU 16 -1.853 -1.896 3.555 117 HD21 LEU 16 HD21 LEU 16 -5.442 -0.742 1.589 118 HD22 LEU 16 HD22 LEU 16 -5.050 0.001 3.139 119 HD23 LEU 16 HD23 LEU 16 -5.496 -1.704 3.065 Start of MODEL 10 1 H CYS 1 HN CYS 1 -3.877 2.396 -1.313 2 HA CYS 1 HA CYS 1 -1.371 3.653 -0.550 3 HB2 CYS 1 HB2 CYS 1 -1.174 3.265 -3.012 4 HB3 CYS 1 HB1 CYS 1 -2.603 4.266 -3.240 5 H PHE 2 HN PHE 2 -1.697 5.420 0.591 6 HA PHE 2 HA PHE 2 -4.406 6.406 0.919 7 HB2 PHE 2 HB2 PHE 2 -1.817 7.032 2.337 8 HB3 PHE 2 HB1 PHE 2 -3.327 7.859 2.699 9 HD1 PHE 2 HD1 PHE 2 -5.119 6.728 3.856 10 HD2 PHE 2 HD2 PHE 2 -1.487 4.708 2.940 11 HE1 PHE 2 HE1 PHE 2 -5.727 4.932 5.423 12 HE2 PHE 2 HE2 PHE 2 -2.090 2.908 4.505 13 HZ PHE 2 HZ PHE 2 -4.212 3.018 5.749 14 HA PRO 3 HA PRO 3 -3.813 9.989 -1.699 15 HB2 PRO 3 HB2 PRO 3 -5.825 11.529 -0.303 16 HB3 PRO 3 HB1 PRO 3 -5.964 10.701 -1.861 17 HG2 PRO 3 HG2 PRO 3 -7.320 9.939 0.365 18 HG3 PRO 3 HG1 PRO 3 -6.872 8.833 -0.948 19 HD2 PRO 3 HD2 PRO 3 -5.552 9.241 1.707 20 HD3 PRO 3 HD1 PRO 3 -5.875 7.737 0.822 21 H ASP 4 HN ASP 4 -3.904 10.520 1.754 22 HA ASP 4 HA ASP 4 -2.215 12.913 1.434 23 HB2 ASP 4 HB2 ASP 4 -4.236 12.243 3.572 24 HB3 ASP 4 HB1 ASP 4 -3.054 13.537 3.747 25 H GLY 5 HN GLY 5 -2.415 9.750 2.719 26 HA2 GLY 5 HA2 GLY 5 -0.187 10.167 4.578 27 HA3 GLY 5 HA1 GLY 5 -1.171 8.718 4.454 28 H ARG 6 HN ARG 6 0.732 7.459 4.420 29 HA ARG 6 HA ARG 6 2.407 7.680 2.020 30 HB2 ARG 6 HB2 ARG 6 2.801 6.291 4.668 31 HB3 ARG 6 HB1 ARG 6 3.835 5.965 3.284 32 HG2 ARG 6 HG2 ARG 6 4.459 8.343 3.215 33 HG3 ARG 6 HG1 ARG 6 3.457 8.632 4.637 34 HD2 ARG 6 HD2 ARG 6 5.655 8.410 5.450 35 HD3 ARG 6 HD1 ARG 6 4.862 6.878 5.810 36 HE ARG 6 HE ARG 6 6.109 6.583 3.348 37 HH11 ARG 6 HH11 ARG 6 7.111 7.168 6.663 38 HH12 ARG 6 HH12 ARG 6 8.647 6.393 6.456 39 HH21 ARG 6 HH21 ARG 6 8.123 5.575 3.100 40 HH22 ARG 6 HH22 ARG 6 9.219 5.494 4.439 41 H CYS 7 HN CYS 7 3.121 5.561 1.048 42 HA CYS 7 HA CYS 7 1.113 3.453 1.183 43 HB2 CYS 7 HB2 CYS 7 2.143 4.486 -1.468 44 HB3 CYS 7 HB1 CYS 7 0.787 3.403 -1.189 45 H LYS 8 HN LYS 8 2.302 2.097 -1.156 46 HA LYS 8 HA LYS 8 5.016 1.467 -0.243 47 HB2 LYS 8 HB2 LYS 8 2.735 -0.497 -0.504 48 HB3 LYS 8 HB1 LYS 8 4.415 -1.008 -0.544 49 HG2 LYS 8 HG2 LYS 8 4.757 -0.100 1.694 50 HG3 LYS 8 HG1 LYS 8 3.076 0.437 1.735 51 HD2 LYS 8 HD2 LYS 8 2.332 -1.887 1.519 52 HD3 LYS 8 HD1 LYS 8 4.013 -2.421 1.482 53 HE2 LYS 8 HE2 LYS 8 4.349 -1.514 3.730 54 HE3 LYS 8 HE1 LYS 8 2.670 -0.976 3.765 55 HZ1 LYS 8 HZ1 LYS 8 3.578 -3.797 3.550 56 HZ2 LYS 8 HZ2 LYS 8 1.967 -3.282 3.582 57 HZ3 LYS 8 HZ3 LYS 8 2.952 -3.064 4.940 58 H ARG 9 HN ARG 9 5.726 -0.532 -1.905 59 HA ARG 9 HA ARG 9 4.978 0.243 -4.625 60 HB2 ARG 9 HB2 ARG 9 7.766 0.332 -3.498 61 HB3 ARG 9 HB1 ARG 9 7.480 0.124 -5.218 62 HG2 ARG 9 HG2 ARG 9 6.261 2.239 -5.273 63 HG3 ARG 9 HG1 ARG 9 6.541 2.444 -3.542 64 HD2 ARG 9 HD2 ARG 9 8.956 2.469 -3.938 65 HD3 ARG 9 HD1 ARG 9 8.675 2.263 -5.667 66 HE ARG 9 HE ARG 9 7.260 4.516 -4.881 67 HH11 ARG 9 HH11 ARG 9 10.631 3.540 -5.029 68 HH12 ARG 9 HH12 ARG 9 11.208 5.158 -5.255 69 HH21 ARG 9 HH21 ARG 9 8.038 6.625 -5.178 70 HH22 ARG 9 HH22 ARG 9 9.740 6.901 -5.338 71 HA PRO 10 HA PRO 10 7.137 -4.188 -4.639 72 HB2 PRO 10 HB2 PRO 10 6.602 -5.080 -1.865 73 HB3 PRO 10 HB1 PRO 10 8.059 -5.290 -2.853 74 HG2 PRO 10 HG2 PRO 10 8.047 -3.605 -0.814 75 HG3 PRO 10 HG1 PRO 10 8.893 -3.211 -2.325 76 HD2 PRO 10 HD2 PRO 10 6.226 -2.253 -1.357 77 HD3 PRO 10 HD1 PRO 10 7.539 -1.339 -2.125 78 HA PRO 11 HA PRO 11 2.670 -5.209 -5.064 79 HB2 PRO 11 HB2 PRO 11 3.619 -6.949 -7.245 80 HB3 PRO 11 HB1 PRO 11 2.461 -5.608 -7.302 81 HG2 PRO 11 HG2 PRO 11 4.882 -5.408 -8.401 82 HG3 PRO 11 HG1 PRO 11 4.085 -4.026 -7.620 83 HD2 PRO 11 HD2 PRO 11 6.254 -5.796 -6.558 84 HD3 PRO 11 HD1 PRO 11 6.072 -4.031 -6.446 85 H GLY 12 HN GLY 12 1.407 -7.071 -4.775 86 HA2 GLY 12 HA2 GLY 12 2.750 -9.607 -4.206 87 HA3 GLY 12 HA1 GLY 12 1.873 -8.849 -2.885 88 H PHE 13 HN PHE 13 -0.412 -8.548 -3.094 89 HA PHE 13 HA PHE 13 -1.710 -10.164 -5.175 90 HB2 PHE 13 HB2 PHE 13 -2.207 -10.349 -2.197 91 HB3 PHE 13 HB1 PHE 13 -3.321 -10.988 -3.400 92 HD1 PHE 13 HD1 PHE 13 -0.074 -11.406 -1.782 93 HD2 PHE 13 HD2 PHE 13 -2.763 -12.956 -4.694 94 HE1 PHE 13 HE1 PHE 13 1.208 -13.505 -1.841 95 HE2 PHE 13 HE2 PHE 13 -1.486 -15.058 -4.759 96 HZ PHE 13 HZ PHE 13 0.502 -15.335 -3.331 97 H SER 14 HN SER 14 -2.324 -7.914 -2.469 98 HA SER 14 HA SER 14 -4.016 -6.292 -4.208 99 HB2 SER 14 HB2 SER 14 -5.532 -7.892 -3.022 100 HB3 SER 14 HB1 SER 14 -4.979 -7.220 -1.489 101 HG SER 14 HG SER 14 -6.717 -6.172 -3.363 102 HA PRO 15 HA PRO 15 -1.313 -3.639 -1.547 103 HB2 PRO 15 HB2 PRO 15 -0.608 -1.805 -3.388 104 HB3 PRO 15 HB1 PRO 15 0.159 -3.405 -3.328 105 HG2 PRO 15 HG2 PRO 15 -1.975 -2.401 -5.143 106 HG3 PRO 15 HG1 PRO 15 -0.554 -3.400 -5.512 107 HD2 PRO 15 HD2 PRO 15 -3.083 -4.430 -5.161 108 HD3 PRO 15 HD1 PRO 15 -1.595 -5.352 -4.873 109 H LEU 16 HN LEU 16 -1.340 -1.184 -1.204 110 HA LEU 16 HA LEU 16 -3.891 0.114 -1.750 111 HB2 LEU 16 HB2 LEU 16 -2.911 -0.469 1.051 112 HB3 LEU 16 HB1 LEU 16 -4.156 0.707 0.686 113 HG LEU 16 HG LEU 16 -4.541 -2.105 -0.247 114 HD11 LEU 16 HD11 LEU 16 -3.823 -2.377 2.059 115 HD12 LEU 16 HD12 LEU 16 -5.551 -2.696 1.905 116 HD13 LEU 16 HD13 LEU 16 -4.993 -1.166 2.582 117 HD21 LEU 16 HD21 LEU 16 -6.412 0.015 0.814 118 HD22 LEU 16 HD22 LEU 16 -6.886 -1.562 0.181 119 HD23 LEU 16 HD23 LEU 16 -6.143 -0.371 -0.886 Start of MODEL 11 1 H CYS 1 HN CYS 1 -3.920 2.104 -0.803 2 HA CYS 1 HA CYS 1 -1.393 3.487 -0.380 3 HB2 CYS 1 HB2 CYS 1 -1.367 2.891 -2.794 4 HB3 CYS 1 HB1 CYS 1 -2.881 3.763 -3.001 5 H PHE 2 HN PHE 2 -1.709 5.306 0.672 6 HA PHE 2 HA PHE 2 -4.431 6.344 0.917 7 HB2 PHE 2 HB2 PHE 2 -1.937 6.789 2.554 8 HB3 PHE 2 HB1 PHE 2 -3.422 7.695 2.813 9 HD1 PHE 2 HD1 PHE 2 -1.767 4.464 3.168 10 HD2 PHE 2 HD2 PHE 2 -5.387 6.624 3.752 11 HE1 PHE 2 HE1 PHE 2 -2.595 2.672 4.637 12 HE2 PHE 2 HE2 PHE 2 -6.221 4.836 5.222 13 HZ PHE 2 HZ PHE 2 -4.824 2.857 5.666 14 HA PRO 3 HA PRO 3 -3.199 9.769 -1.779 15 HB2 PRO 3 HB2 PRO 3 -5.671 11.152 -1.101 16 HB3 PRO 3 HB1 PRO 3 -5.212 10.389 -2.633 17 HG2 PRO 3 HG2 PRO 3 -7.173 9.423 -1.055 18 HG3 PRO 3 HG1 PRO 3 -6.165 8.393 -2.090 19 HD2 PRO 3 HD2 PRO 3 -5.945 8.893 0.853 20 HD3 PRO 3 HD1 PRO 3 -5.806 7.370 -0.051 21 H ASP 4 HN ASP 4 -4.016 10.104 1.548 22 HA ASP 4 HA ASP 4 -3.088 12.881 1.650 23 HB2 ASP 4 HB2 ASP 4 -4.523 11.153 3.663 24 HB3 ASP 4 HB1 ASP 4 -3.863 12.735 4.065 25 H GLY 5 HN GLY 5 -2.089 9.676 2.397 26 HA2 GLY 5 HA2 GLY 5 0.295 10.737 3.787 27 HA3 GLY 5 HA1 GLY 5 -0.457 9.212 4.226 28 H ARG 6 HN ARG 6 1.421 8.042 3.884 29 HA ARG 6 HA ARG 6 2.539 7.979 1.177 30 HB2 ARG 6 HB2 ARG 6 3.510 6.936 3.835 31 HB3 ARG 6 HB1 ARG 6 4.265 6.459 2.320 32 HG2 ARG 6 HG2 ARG 6 4.774 8.807 1.841 33 HG3 ARG 6 HG1 ARG 6 4.033 9.272 3.373 34 HD2 ARG 6 HD2 ARG 6 5.683 7.930 4.579 35 HD3 ARG 6 HD1 ARG 6 6.418 7.453 3.049 36 HE ARG 6 HE ARG 6 6.352 10.265 3.234 37 HH11 ARG 6 HH11 ARG 6 8.064 7.529 4.620 38 HH12 ARG 6 HH12 ARG 6 9.493 8.448 4.958 39 HH21 ARG 6 HH21 ARG 6 8.233 11.447 3.686 40 HH22 ARG 6 HH22 ARG 6 9.586 10.663 4.429 41 H CYS 7 HN CYS 7 3.193 5.734 0.380 42 HA CYS 7 HA CYS 7 1.286 3.649 1.108 43 HB2 CYS 7 HB2 CYS 7 1.905 4.316 -1.773 44 HB3 CYS 7 HB1 CYS 7 0.634 3.269 -1.159 45 H LYS 8 HN LYS 8 1.869 1.523 0.303 46 HA LYS 8 HA LYS 8 4.672 1.146 -0.468 47 HB2 LYS 8 HB2 LYS 8 3.326 -0.061 1.956 48 HB3 LYS 8 HB1 LYS 8 4.759 -0.774 1.229 49 HG2 LYS 8 HG2 LYS 8 6.002 1.285 1.646 50 HG3 LYS 8 HG1 LYS 8 4.562 2.009 2.365 51 HD2 LYS 8 HD2 LYS 8 4.558 0.269 4.092 52 HD3 LYS 8 HD1 LYS 8 6.004 -0.443 3.374 53 HE2 LYS 8 HE2 LYS 8 7.237 1.623 3.809 54 HE3 LYS 8 HE1 LYS 8 5.791 2.340 4.519 55 HZ1 LYS 8 HZ1 LYS 8 7.222 -0.052 5.549 56 HZ2 LYS 8 HZ2 LYS 8 5.832 0.631 6.230 57 HZ3 LYS 8 HZ3 LYS 8 7.283 1.501 6.219 58 H ARG 9 HN ARG 9 5.012 -1.359 -0.878 59 HA ARG 9 HA ARG 9 2.602 -2.570 -2.015 60 HB2 ARG 9 HB2 ARG 9 5.125 -1.948 -3.550 61 HB3 ARG 9 HB1 ARG 9 3.994 -3.184 -4.078 62 HG2 ARG 9 HG2 ARG 9 2.224 -1.507 -4.232 63 HG3 ARG 9 HG1 ARG 9 3.357 -0.264 -3.694 64 HD2 ARG 9 HD2 ARG 9 4.747 -0.682 -5.664 65 HD3 ARG 9 HD1 ARG 9 3.619 -1.929 -6.197 66 HE ARG 9 HE ARG 9 2.223 0.484 -5.830 67 HH11 ARG 9 HH11 ARG 9 4.572 -0.920 -8.032 68 HH12 ARG 9 HH12 ARG 9 4.072 0.059 -9.371 69 HH21 ARG 9 HH21 ARG 9 1.586 1.754 -7.596 70 HH22 ARG 9 HH22 ARG 9 2.383 1.571 -9.123 71 HA PRO 10 HA PRO 10 5.281 -5.716 0.149 72 HB2 PRO 10 HB2 PRO 10 3.044 -6.322 1.883 73 HB3 PRO 10 HB1 PRO 10 4.604 -5.610 2.325 74 HG2 PRO 10 HG2 PRO 10 2.241 -4.267 2.471 75 HG3 PRO 10 HG1 PRO 10 3.816 -3.483 2.240 76 HD2 PRO 10 HD2 PRO 10 1.723 -4.139 0.203 77 HD3 PRO 10 HD1 PRO 10 2.714 -2.673 0.371 78 HA PRO 11 HA PRO 11 3.433 -9.243 -1.913 79 HB2 PRO 11 HB2 PRO 11 3.959 -11.064 0.344 80 HB3 PRO 11 HB1 PRO 11 4.664 -11.064 -1.283 81 HG2 PRO 11 HG2 PRO 11 6.101 -10.386 0.859 82 HG3 PRO 11 HG1 PRO 11 6.335 -9.602 -0.717 83 HD2 PRO 11 HD2 PRO 11 4.852 -8.598 1.682 84 HD3 PRO 11 HD1 PRO 11 5.962 -7.734 0.598 85 H GLY 12 HN GLY 12 1.295 -9.237 -2.155 86 HA2 GLY 12 HA2 GLY 12 -0.419 -10.727 -0.466 87 HA3 GLY 12 HA1 GLY 12 -0.642 -9.015 -0.158 88 H PHE 13 HN PHE 13 0.276 -9.475 -3.352 89 HA PHE 13 HA PHE 13 -0.721 -9.469 -5.381 90 HB2 PHE 13 HB2 PHE 13 -3.084 -10.649 -3.914 91 HB3 PHE 13 HB1 PHE 13 -3.034 -10.414 -5.657 92 HD1 PHE 13 HD1 PHE 13 -1.755 -12.358 -2.843 93 HD2 PHE 13 HD2 PHE 13 -1.617 -11.790 -7.059 94 HE1 PHE 13 HE1 PHE 13 -0.651 -14.542 -3.097 95 HE2 PHE 13 HE2 PHE 13 -0.512 -13.972 -7.321 96 HZ PHE 13 HZ PHE 13 -0.028 -15.352 -5.339 97 H SER 14 HN SER 14 -2.773 -8.107 -2.825 98 HA SER 14 HA SER 14 -3.404 -5.885 -4.648 99 HB2 SER 14 HB2 SER 14 -5.648 -5.728 -3.498 100 HB3 SER 14 HB1 SER 14 -5.433 -7.198 -4.448 101 HG SER 14 HG SER 14 -6.075 -8.063 -2.621 102 HA PRO 15 HA PRO 15 -1.540 -4.025 -0.850 103 HB2 PRO 15 HB2 PRO 15 -0.100 -2.076 -2.030 104 HB3 PRO 15 HB1 PRO 15 0.459 -3.760 -2.000 105 HG2 PRO 15 HG2 PRO 15 -0.813 -2.232 -4.213 106 HG3 PRO 15 HG1 PRO 15 0.531 -3.392 -4.264 107 HD2 PRO 15 HD2 PRO 15 -2.078 -4.028 -4.913 108 HD3 PRO 15 HD1 PRO 15 -0.870 -5.207 -4.369 109 H LEU 16 HN LEU 16 -1.421 -1.575 -0.188 110 HA LEU 16 HA LEU 16 -3.883 -0.218 -1.077 111 HB2 LEU 16 HB2 LEU 16 -2.795 -0.522 1.719 112 HB3 LEU 16 HB1 LEU 16 -4.032 0.645 1.300 113 HG LEU 16 HG LEU 16 -5.259 -1.516 0.365 114 HD11 LEU 16 HD11 LEU 16 -3.427 -3.049 0.846 115 HD12 LEU 16 HD12 LEU 16 -4.855 -3.452 1.800 116 HD13 LEU 16 HD13 LEU 16 -3.499 -2.614 2.553 117 HD21 LEU 16 HD21 LEU 16 -6.404 -1.693 2.530 118 HD22 LEU 16 HD22 LEU 16 -6.153 -0.016 2.048 119 HD23 LEU 16 HD23 LEU 16 -5.119 -0.745 3.277 Start of MODEL 12 1 H CYS 1 HN CYS 1 -3.987 2.231 -0.561 2 HA CYS 1 HA CYS 1 -1.409 3.519 -0.229 3 HB2 CYS 1 HB2 CYS 1 -2.975 3.627 -2.773 4 HB3 CYS 1 HB1 CYS 1 -2.054 5.040 -2.264 5 H PHE 2 HN PHE 2 -1.517 5.363 0.857 6 HA PHE 2 HA PHE 2 -3.975 6.162 2.044 7 HB2 PHE 2 HB2 PHE 2 -1.199 7.325 2.074 8 HB3 PHE 2 HB1 PHE 2 -2.537 8.110 2.905 9 HD1 PHE 2 HD1 PHE 2 -0.291 5.229 2.869 10 HD2 PHE 2 HD2 PHE 2 -3.527 7.126 4.880 11 HE1 PHE 2 HE1 PHE 2 0.074 3.776 4.820 12 HE2 PHE 2 HE2 PHE 2 -3.167 5.677 6.835 13 HZ PHE 2 HZ PHE 2 -1.364 3.998 6.806 14 HA PRO 3 HA PRO 3 -5.490 9.263 -0.795 15 HB2 PRO 3 HB2 PRO 3 -6.288 11.054 1.384 16 HB3 PRO 3 HB1 PRO 3 -7.307 10.125 0.271 17 HG2 PRO 3 HG2 PRO 3 -7.136 9.519 2.872 18 HG3 PRO 3 HG1 PRO 3 -7.349 8.279 1.620 19 HD2 PRO 3 HD2 PRO 3 -4.850 9.090 3.058 20 HD3 PRO 3 HD1 PRO 3 -5.454 7.466 2.672 21 H ASP 4 HN ASP 4 -3.017 10.068 1.406 22 HA ASP 4 HA ASP 4 -2.647 12.782 0.402 23 HB2 ASP 4 HB2 ASP 4 -1.230 11.172 2.527 24 HB3 ASP 4 HB1 ASP 4 -0.683 12.765 2.014 25 H GLY 5 HN GLY 5 -1.649 9.648 -0.395 26 HA2 GLY 5 HA2 GLY 5 -0.437 9.197 -2.397 27 HA3 GLY 5 HA1 GLY 5 0.416 10.720 -2.190 28 H ARG 6 HN ARG 6 -0.114 8.075 0.119 29 HA ARG 6 HA ARG 6 2.776 7.537 0.133 30 HB2 ARG 6 HB2 ARG 6 1.014 8.092 2.516 31 HB3 ARG 6 HB1 ARG 6 2.538 7.230 2.663 32 HG2 ARG 6 HG2 ARG 6 3.718 9.169 1.744 33 HG3 ARG 6 HG1 ARG 6 2.185 10.034 1.620 34 HD2 ARG 6 HD2 ARG 6 1.895 9.864 4.043 35 HD3 ARG 6 HD1 ARG 6 3.423 8.994 4.166 36 HE ARG 6 HE ARG 6 3.844 11.463 2.877 37 HH11 ARG 6 HH11 ARG 6 3.140 10.200 6.077 38 HH12 ARG 6 HH12 ARG 6 3.890 11.532 6.893 39 HH21 ARG 6 HH21 ARG 6 4.821 13.195 3.965 40 HH22 ARG 6 HH22 ARG 6 4.840 13.225 5.697 41 H CYS 7 HN CYS 7 3.273 5.463 0.023 42 HA CYS 7 HA CYS 7 1.403 3.426 0.957 43 HB2 CYS 7 HB2 CYS 7 2.779 2.996 -1.682 44 HB3 CYS 7 HB1 CYS 7 1.306 2.253 -1.070 45 H LYS 8 HN LYS 8 2.694 1.121 0.472 46 HA LYS 8 HA LYS 8 5.491 1.471 1.261 47 HB2 LYS 8 HB2 LYS 8 3.427 -0.053 2.829 48 HB3 LYS 8 HB1 LYS 8 5.147 -0.375 2.992 49 HG2 LYS 8 HG2 LYS 8 5.514 1.942 3.690 50 HG3 LYS 8 HG1 LYS 8 3.784 2.256 3.535 51 HD2 LYS 8 HD2 LYS 8 3.325 0.573 5.251 52 HD3 LYS 8 HD1 LYS 8 5.054 0.249 5.398 53 HE2 LYS 8 HE2 LYS 8 5.422 2.562 6.112 54 HE3 LYS 8 HE1 LYS 8 3.694 2.881 5.968 55 HZ1 LYS 8 HZ1 LYS 8 4.943 0.926 7.822 56 HZ2 LYS 8 HZ2 LYS 8 3.285 1.229 7.684 57 HZ3 LYS 8 HZ3 LYS 8 4.320 2.438 8.254 58 H ARG 9 HN ARG 9 2.986 -0.683 0.088 59 HA ARG 9 HA ARG 9 5.036 -2.217 -1.333 60 HB2 ARG 9 HB2 ARG 9 2.932 -3.415 0.474 61 HB3 ARG 9 HB1 ARG 9 3.741 -4.349 -0.774 62 HG2 ARG 9 HG2 ARG 9 5.389 -2.870 1.225 63 HG3 ARG 9 HG1 ARG 9 4.606 -4.380 1.695 64 HD2 ARG 9 HD2 ARG 9 5.700 -5.519 -0.184 65 HD3 ARG 9 HD1 ARG 9 6.494 -4.010 -0.631 66 HE ARG 9 HE ARG 9 7.152 -4.489 2.013 67 HH11 ARG 9 HH11 ARG 9 7.676 -6.112 -1.057 68 HH12 ARG 9 HH12 ARG 9 9.165 -6.839 -0.549 69 HH21 ARG 9 HH21 ARG 9 9.101 -5.451 2.656 70 HH22 ARG 9 HH22 ARG 9 9.969 -6.465 1.551 71 HA PRO 10 HA PRO 10 1.391 -0.892 -4.038 72 HB2 PRO 10 HB2 PRO 10 3.621 -0.500 -5.959 73 HB3 PRO 10 HB1 PRO 10 2.247 0.551 -5.587 74 HG2 PRO 10 HG2 PRO 10 4.702 1.136 -4.741 75 HG3 PRO 10 HG1 PRO 10 3.261 1.499 -3.772 76 HD2 PRO 10 HD2 PRO 10 5.276 -0.665 -3.410 77 HD3 PRO 10 HD1 PRO 10 4.372 0.255 -2.197 78 HA PRO 11 HA PRO 11 2.516 -4.406 -7.055 79 HB2 PRO 11 HB2 PRO 11 5.098 -5.562 -6.741 80 HB3 PRO 11 HB1 PRO 11 4.560 -4.482 -8.038 81 HG2 PRO 11 HG2 PRO 11 6.481 -3.868 -6.144 82 HG3 PRO 11 HG1 PRO 11 5.599 -2.697 -7.141 83 HD2 PRO 11 HD2 PRO 11 5.112 -3.509 -4.309 84 HD3 PRO 11 HD1 PRO 11 4.966 -1.916 -5.075 85 H GLY 12 HN GLY 12 1.541 -6.295 -6.694 86 HA2 GLY 12 HA2 GLY 12 2.523 -8.462 -5.267 87 HA3 GLY 12 HA1 GLY 12 1.512 -7.548 -4.156 88 H PHE 13 HN PHE 13 -0.656 -7.602 -4.347 89 HA PHE 13 HA PHE 13 -1.950 -8.857 -6.630 90 HB2 PHE 13 HB2 PHE 13 -2.105 -10.022 -3.838 91 HB3 PHE 13 HB1 PHE 13 -3.275 -10.392 -5.099 92 HD1 PHE 13 HD1 PHE 13 -2.591 -11.679 -7.082 93 HD2 PHE 13 HD2 PHE 13 0.070 -10.990 -3.832 94 HE1 PHE 13 HE1 PHE 13 -1.137 -13.490 -7.894 95 HE2 PHE 13 HE2 PHE 13 1.529 -12.800 -4.639 96 HZ PHE 13 HZ PHE 13 0.926 -14.052 -6.672 97 H SER 14 HN SER 14 -2.484 -7.704 -3.303 98 HA SER 14 HA SER 14 -4.585 -5.910 -4.284 99 HB2 SER 14 HB2 SER 14 -4.818 -7.673 -1.825 100 HB3 SER 14 HB1 SER 14 -5.979 -6.434 -2.302 101 HG SER 14 HG SER 14 -5.525 -8.064 -4.373 102 HA PRO 15 HA PRO 15 -1.506 -3.719 -1.570 103 HB2 PRO 15 HB2 PRO 15 -0.912 -1.666 -3.207 104 HB3 PRO 15 HB1 PRO 15 -0.178 -3.267 -3.421 105 HG2 PRO 15 HG2 PRO 15 -2.427 -2.006 -4.910 106 HG3 PRO 15 HG1 PRO 15 -1.065 -2.969 -5.522 107 HD2 PRO 15 HD2 PRO 15 -3.588 -3.998 -5.087 108 HD3 PRO 15 HD1 PRO 15 -2.105 -4.971 -5.065 109 H LEU 16 HN LEU 16 -1.434 -1.335 -0.930 110 HA LEU 16 HA LEU 16 -4.054 -0.027 -0.996 111 HB2 LEU 16 HB2 LEU 16 -2.506 -0.696 1.513 112 HB3 LEU 16 HB1 LEU 16 -3.829 0.451 1.465 113 HG LEU 16 HG LEU 16 -4.318 -2.338 0.505 114 HD11 LEU 16 HD11 LEU 16 -4.872 -3.030 2.791 115 HD12 LEU 16 HD12 LEU 16 -4.228 -1.506 3.402 116 HD13 LEU 16 HD13 LEU 16 -3.156 -2.663 2.613 117 HD21 LEU 16 HD21 LEU 16 -6.001 -0.315 1.986 118 HD22 LEU 16 HD22 LEU 16 -6.547 -1.890 1.411 119 HD23 LEU 16 HD23 LEU 16 -6.065 -0.649 0.255 Start of MODEL 13 1 H CYS 1 HN CYS 1 -3.691 1.952 0.242 2 HA CYS 1 HA CYS 1 -1.284 3.509 -0.005 3 HB2 CYS 1 HB2 CYS 1 -1.599 2.592 -2.338 4 HB3 CYS 1 HB1 CYS 1 -3.128 3.460 -2.403 5 H PHE 2 HN PHE 2 -1.626 5.461 0.813 6 HA PHE 2 HA PHE 2 -4.353 6.228 1.486 7 HB2 PHE 2 HB2 PHE 2 -1.662 7.308 2.327 8 HB3 PHE 2 HB1 PHE 2 -3.182 8.056 2.803 9 HD1 PHE 2 HD1 PHE 2 -0.971 5.183 3.245 10 HD2 PHE 2 HD2 PHE 2 -4.651 6.981 4.400 11 HE1 PHE 2 HE1 PHE 2 -1.119 3.643 5.158 12 HE2 PHE 2 HE2 PHE 2 -4.805 5.444 6.315 13 HZ PHE 2 HZ PHE 2 -3.038 3.773 6.696 14 HA PRO 3 HA PRO 3 -4.666 9.393 -1.657 15 HB2 PRO 3 HB2 PRO 3 -6.138 11.207 0.087 16 HB3 PRO 3 HB1 PRO 3 -6.740 10.252 -1.279 17 HG2 PRO 3 HG2 PRO 3 -7.440 9.736 1.269 18 HG3 PRO 3 HG1 PRO 3 -7.310 8.474 0.027 19 HD2 PRO 3 HD2 PRO 3 -5.361 9.207 2.180 20 HD3 PRO 3 HD1 PRO 3 -5.877 7.603 1.620 21 H ASP 4 HN ASP 4 -3.663 10.440 1.514 22 HA ASP 4 HA ASP 4 -1.949 12.493 0.292 23 HB2 ASP 4 HB2 ASP 4 -3.653 12.779 2.774 24 HB3 ASP 4 HB1 ASP 4 -2.324 13.870 2.393 25 H GLY 5 HN GLY 5 0.110 12.104 0.687 26 HA2 GLY 5 HA2 GLY 5 1.794 11.951 2.522 27 HA3 GLY 5 HA1 GLY 5 0.832 10.616 3.137 28 H ARG 6 HN ARG 6 1.717 8.715 2.769 29 HA ARG 6 HA ARG 6 2.972 8.179 0.169 30 HB2 ARG 6 HB2 ARG 6 4.197 7.698 2.885 31 HB3 ARG 6 HB1 ARG 6 4.730 6.826 1.454 32 HG2 ARG 6 HG2 ARG 6 5.296 8.970 0.385 33 HG3 ARG 6 HG1 ARG 6 4.814 9.811 1.858 34 HD2 ARG 6 HD2 ARG 6 7.155 9.616 1.990 35 HD3 ARG 6 HD1 ARG 6 6.523 8.370 3.062 36 HE ARG 6 HE ARG 6 6.885 7.147 0.618 37 HH11 ARG 6 HH11 ARG 6 8.966 8.773 2.933 38 HH12 ARG 6 HH12 ARG 6 10.364 7.845 2.503 39 HH21 ARG 6 HH21 ARG 6 8.727 5.945 0.071 40 HH22 ARG 6 HH22 ARG 6 10.227 6.245 0.883 41 H CYS 7 HN CYS 7 3.349 5.795 -0.157 42 HA CYS 7 HA CYS 7 1.482 4.069 1.275 43 HB2 CYS 7 HB2 CYS 7 1.715 4.122 -1.742 44 HB3 CYS 7 HB1 CYS 7 0.562 3.212 -0.781 45 H LYS 8 HN LYS 8 1.878 1.737 0.826 46 HA LYS 8 HA LYS 8 4.569 1.110 -0.154 47 HB2 LYS 8 HB2 LYS 8 3.523 0.432 2.600 48 HB3 LYS 8 HB1 LYS 8 4.852 -0.444 1.854 49 HG2 LYS 8 HG2 LYS 8 6.147 1.623 1.719 50 HG3 LYS 8 HG1 LYS 8 4.810 2.506 2.461 51 HD2 LYS 8 HD2 LYS 8 5.017 1.125 4.472 52 HD3 LYS 8 HD1 LYS 8 6.353 0.243 3.729 53 HE2 LYS 8 HE2 LYS 8 7.649 2.314 3.607 54 HE3 LYS 8 HE1 LYS 8 6.313 3.195 4.346 55 HZ1 LYS 8 HZ1 LYS 8 6.562 1.836 6.329 56 HZ2 LYS 8 HZ2 LYS 8 8.008 2.637 5.970 57 HZ3 LYS 8 HZ3 LYS 8 7.844 0.990 5.619 58 H ARG 9 HN ARG 9 4.190 -0.270 -1.748 59 HA ARG 9 HA ARG 9 2.449 -2.576 -1.253 60 HB2 ARG 9 HB2 ARG 9 2.338 -0.988 -3.827 61 HB3 ARG 9 HB1 ARG 9 1.368 -2.389 -3.416 62 HG2 ARG 9 HG2 ARG 9 -0.180 -0.805 -2.945 63 HG3 ARG 9 HG1 ARG 9 0.667 -0.755 -1.401 64 HD2 ARG 9 HD2 ARG 9 0.416 1.486 -2.116 65 HD3 ARG 9 HD1 ARG 9 2.108 1.063 -2.369 66 HE ARG 9 HE ARG 9 0.437 0.685 -4.687 67 HH11 ARG 9 HH11 ARG 9 2.433 3.002 -2.959 68 HH12 ARG 9 HH12 ARG 9 2.711 3.980 -4.359 69 HH21 ARG 9 HH21 ARG 9 0.815 1.982 -6.507 70 HH22 ARG 9 HH22 ARG 9 1.795 3.402 -6.367 71 HA PRO 10 HA PRO 10 5.742 -4.746 -3.394 72 HB2 PRO 10 HB2 PRO 10 3.961 -6.817 -4.389 73 HB3 PRO 10 HB1 PRO 10 5.106 -6.910 -3.040 74 HG2 PRO 10 HG2 PRO 10 2.419 -7.007 -2.712 75 HG3 PRO 10 HG1 PRO 10 3.536 -6.375 -1.485 76 HD2 PRO 10 HD2 PRO 10 1.842 -4.872 -3.443 77 HD3 PRO 10 HD1 PRO 10 2.151 -4.539 -1.726 78 HA PRO 11 HA PRO 11 5.586 -3.823 -7.778 79 HB2 PRO 11 HB2 PRO 11 6.993 -6.284 -8.551 80 HB3 PRO 11 HB1 PRO 11 7.558 -4.605 -8.621 81 HG2 PRO 11 HG2 PRO 11 8.578 -6.367 -6.885 82 HG3 PRO 11 HG1 PRO 11 8.394 -4.645 -6.491 83 HD2 PRO 11 HD2 PRO 11 6.661 -6.953 -5.691 84 HD3 PRO 11 HD1 PRO 11 7.233 -5.581 -4.719 85 H GLY 12 HN GLY 12 3.663 -3.937 -8.749 86 HA2 GLY 12 HA2 GLY 12 2.573 -5.210 -10.600 87 HA3 GLY 12 HA1 GLY 12 2.634 -6.598 -9.527 88 H PHE 13 HN PHE 13 1.592 -6.045 -7.271 89 HA PHE 13 HA PHE 13 -1.111 -5.082 -7.870 90 HB2 PHE 13 HB2 PHE 13 -0.015 -6.834 -5.666 91 HB3 PHE 13 HB1 PHE 13 -1.669 -6.232 -5.674 92 HD1 PHE 13 HD1 PHE 13 -3.294 -7.078 -7.254 93 HD2 PHE 13 HD2 PHE 13 0.708 -8.527 -7.235 94 HE1 PHE 13 HE1 PHE 13 -3.981 -8.985 -8.648 95 HE2 PHE 13 HE2 PHE 13 0.028 -10.436 -8.631 96 HZ PHE 13 HZ PHE 13 -2.319 -10.667 -9.339 97 H SER 14 HN SER 14 -2.289 -3.875 -6.211 98 HA SER 14 HA SER 14 -0.585 -2.167 -4.542 99 HB2 SER 14 HB2 SER 14 -2.076 -0.222 -5.160 100 HB3 SER 14 HB1 SER 14 -1.114 -0.834 -6.505 101 HG SER 14 HG SER 14 -2.890 -1.323 -7.503 102 HA PRO 15 HA PRO 15 -4.029 -3.875 -1.981 103 HB2 PRO 15 HB2 PRO 15 -2.152 -4.174 0.195 104 HB3 PRO 15 HB1 PRO 15 -3.001 -5.437 -0.712 105 HG2 PRO 15 HG2 PRO 15 -0.321 -5.058 -0.843 106 HG3 PRO 15 HG1 PRO 15 -1.287 -5.746 -2.165 107 HD2 PRO 15 HD2 PRO 15 -0.268 -2.935 -1.846 108 HD3 PRO 15 HD1 PRO 15 -0.311 -3.963 -3.298 109 H LEU 16 HN LEU 16 -1.554 -1.663 -0.688 110 HA LEU 16 HA LEU 16 -3.730 -0.134 0.566 111 HB2 LEU 16 HB2 LEU 16 -1.177 -1.012 1.899 112 HB3 LEU 16 HB1 LEU 16 -2.185 0.275 2.528 113 HG LEU 16 HG LEU 16 -3.413 -2.406 2.026 114 HD11 LEU 16 HD11 LEU 16 -1.372 -2.916 3.246 115 HD12 LEU 16 HD12 LEU 16 -2.784 -3.115 4.283 116 HD13 LEU 16 HD13 LEU 16 -1.764 -1.685 4.446 117 HD21 LEU 16 HD21 LEU 16 -4.840 -0.527 2.663 118 HD22 LEU 16 HD22 LEU 16 -3.863 -0.265 4.107 119 HD23 LEU 16 HD23 LEU 16 -4.799 -1.750 3.933 Start of MODEL 14 1 H CYS 1 HN CYS 1 -4.381 2.248 -0.423 2 HA CYS 1 HA CYS 1 -1.987 3.900 -0.557 3 HB2 CYS 1 HB2 CYS 1 -4.033 3.854 -2.677 4 HB3 CYS 1 HB1 CYS 1 -3.631 5.459 -2.077 5 H PHE 2 HN PHE 2 -2.047 5.465 0.894 6 HA PHE 2 HA PHE 2 -4.484 5.882 2.430 7 HB2 PHE 2 HB2 PHE 2 -1.610 6.706 2.868 8 HB3 PHE 2 HB1 PHE 2 -2.920 7.214 3.929 9 HD1 PHE 2 HD1 PHE 2 -0.837 4.416 2.844 10 HD2 PHE 2 HD2 PHE 2 -4.006 5.637 5.409 11 HE1 PHE 2 HE1 PHE 2 -0.595 2.331 4.128 12 HE2 PHE 2 HE2 PHE 2 -3.768 3.555 6.700 13 HZ PHE 2 HZ PHE 2 -2.061 1.900 6.059 14 HA PRO 3 HA PRO 3 -5.408 9.916 0.725 15 HB2 PRO 3 HB2 PRO 3 -6.017 11.093 3.337 16 HB3 PRO 3 HB1 PRO 3 -7.125 10.661 2.023 17 HG2 PRO 3 HG2 PRO 3 -7.088 9.332 4.352 18 HG3 PRO 3 HG1 PRO 3 -7.460 8.541 2.806 19 HD2 PRO 3 HD2 PRO 3 -4.890 8.548 4.346 20 HD3 PRO 3 HD1 PRO 3 -5.717 7.201 3.539 21 H ASP 4 HN ASP 4 -2.732 9.519 2.609 22 HA ASP 4 HA ASP 4 -1.997 12.317 2.879 23 HB2 ASP 4 HB2 ASP 4 -0.602 9.753 3.637 24 HB3 ASP 4 HB1 ASP 4 0.150 11.335 3.812 25 H GLY 5 HN GLY 5 -1.456 9.690 0.705 26 HA2 GLY 5 HA2 GLY 5 -0.771 10.352 -1.570 27 HA3 GLY 5 HA1 GLY 5 0.453 11.359 -0.816 28 H ARG 6 HN ARG 6 0.924 9.080 1.174 29 HA ARG 6 HA ARG 6 2.841 7.649 -0.508 30 HB2 ARG 6 HB2 ARG 6 2.597 8.022 2.471 31 HB3 ARG 6 HB1 ARG 6 3.706 6.853 1.768 32 HG2 ARG 6 HG2 ARG 6 4.828 8.661 0.550 33 HG3 ARG 6 HG1 ARG 6 3.726 9.827 1.285 34 HD2 ARG 6 HD2 ARG 6 4.547 9.209 3.502 35 HD3 ARG 6 HD1 ARG 6 5.640 8.032 2.774 36 HE ARG 6 HE ARG 6 6.110 10.576 1.657 37 HH11 ARG 6 HH11 ARG 6 6.626 8.834 4.664 38 HH12 ARG 6 HH12 ARG 6 8.014 9.774 5.103 39 HH21 ARG 6 HH21 ARG 6 7.928 11.792 2.253 40 HH22 ARG 6 HH22 ARG 6 8.749 11.447 3.738 41 H CYS 7 HN CYS 7 2.855 5.490 -0.810 42 HA CYS 7 HA CYS 7 0.919 3.801 0.583 43 HB2 CYS 7 HB2 CYS 7 1.288 3.528 -2.393 44 HB3 CYS 7 HB1 CYS 7 -0.025 2.925 -1.389 45 H LYS 8 HN LYS 8 1.365 1.486 0.335 46 HA LYS 8 HA LYS 8 4.096 0.802 -0.488 47 HB2 LYS 8 HB2 LYS 8 2.910 0.322 2.247 48 HB3 LYS 8 HB1 LYS 8 4.271 -0.607 1.639 49 HG2 LYS 8 HG2 LYS 8 5.579 1.445 1.415 50 HG3 LYS 8 HG1 LYS 8 4.210 2.380 2.020 51 HD2 LYS 8 HD2 LYS 8 4.310 1.155 4.137 52 HD3 LYS 8 HD1 LYS 8 5.675 0.215 3.530 53 HE2 LYS 8 HE2 LYS 8 6.989 2.269 3.317 54 HE3 LYS 8 HE1 LYS 8 5.625 3.206 3.922 55 HZ1 LYS 8 HZ1 LYS 8 7.233 2.767 5.665 56 HZ2 LYS 8 HZ2 LYS 8 7.077 1.099 5.429 57 HZ3 LYS 8 HZ3 LYS 8 5.767 1.996 6.010 58 H ARG 9 HN ARG 9 4.439 -1.543 -0.703 59 HA ARG 9 HA ARG 9 1.993 -3.142 -0.954 60 HB2 ARG 9 HB2 ARG 9 4.007 -2.723 -3.180 61 HB3 ARG 9 HB1 ARG 9 2.787 -3.988 -3.190 62 HG2 ARG 9 HG2 ARG 9 1.034 -2.257 -3.106 63 HG3 ARG 9 HG1 ARG 9 2.286 -1.017 -3.182 64 HD2 ARG 9 HD2 ARG 9 3.037 -1.960 -5.339 65 HD3 ARG 9 HD1 ARG 9 1.709 -3.118 -5.268 66 HE ARG 9 HE ARG 9 0.634 -0.556 -5.006 67 HH11 ARG 9 HH11 ARG 9 2.263 -2.455 -7.470 68 HH12 ARG 9 HH12 ARG 9 1.493 -1.626 -8.782 69 HH21 ARG 9 HH21 ARG 9 -0.362 0.516 -6.738 70 HH22 ARG 9 HH22 ARG 9 0.008 0.055 -8.366 71 HA PRO 10 HA PRO 10 5.581 -5.339 1.209 72 HB2 PRO 10 HB2 PRO 10 3.275 -6.437 2.731 73 HB3 PRO 10 HB1 PRO 10 4.829 -5.822 3.314 74 HG2 PRO 10 HG2 PRO 10 2.595 -4.409 3.601 75 HG3 PRO 10 HG1 PRO 10 4.157 -3.636 3.268 76 HD2 PRO 10 HD2 PRO 10 1.853 -4.084 1.437 77 HD3 PRO 10 HD1 PRO 10 3.005 -2.742 1.499 78 HA PRO 11 HA PRO 11 3.659 -9.516 -0.079 79 HB2 PRO 11 HB2 PRO 11 0.998 -9.352 -1.124 80 HB3 PRO 11 HB1 PRO 11 1.516 -10.088 0.401 81 HG2 PRO 11 HG2 PRO 11 -0.064 -7.852 0.214 82 HG3 PRO 11 HG1 PRO 11 0.922 -8.283 1.624 83 HD2 PRO 11 HD2 PRO 11 1.511 -6.329 -0.562 84 HD3 PRO 11 HD1 PRO 11 1.818 -6.204 1.180 85 H GLY 12 HN GLY 12 2.148 -7.094 -2.155 86 HA2 GLY 12 HA2 GLY 12 2.816 -6.529 -4.347 87 HA3 GLY 12 HA1 GLY 12 3.719 -8.032 -4.435 88 H PHE 13 HN PHE 13 0.411 -8.016 -3.332 89 HA PHE 13 HA PHE 13 -0.525 -9.003 -5.942 90 HB2 PHE 13 HB2 PHE 13 -0.975 -10.300 -3.249 91 HB3 PHE 13 HB1 PHE 13 -1.928 -10.688 -4.676 92 HD1 PHE 13 HD1 PHE 13 -0.966 -11.933 -6.516 93 HD2 PHE 13 HD2 PHE 13 1.330 -10.998 -3.057 94 HE1 PHE 13 HE1 PHE 13 0.721 -13.591 -7.193 95 HE2 PHE 13 HE2 PHE 13 3.023 -12.653 -3.728 96 HZ PHE 13 HZ PHE 13 2.719 -13.952 -5.799 97 H SER 14 HN SER 14 -1.328 -7.627 -2.802 98 HA SER 14 HA SER 14 -3.746 -6.433 -3.973 99 HB2 SER 14 HB2 SER 14 -4.778 -6.585 -1.669 100 HB3 SER 14 HB1 SER 14 -4.502 -8.152 -2.430 101 HG SER 14 HG SER 14 -3.182 -8.636 -0.875 102 HA PRO 15 HA PRO 15 -1.059 -3.015 -2.446 103 HB2 PRO 15 HB2 PRO 15 -1.676 -1.149 -4.270 104 HB3 PRO 15 HB1 PRO 15 -0.611 -2.510 -4.669 105 HG2 PRO 15 HG2 PRO 15 -3.507 -2.149 -5.266 106 HG3 PRO 15 HG1 PRO 15 -2.199 -2.721 -6.325 107 HD2 PRO 15 HD2 PRO 15 -3.916 -4.420 -5.036 108 HD3 PRO 15 HD1 PRO 15 -2.251 -4.862 -5.464 109 H LEU 16 HN LEU 16 -1.499 -0.715 -1.873 110 HA LEU 16 HA LEU 16 -4.236 0.034 -1.278 111 HB2 LEU 16 HB2 LEU 16 -2.229 -0.547 0.908 112 HB3 LEU 16 HB1 LEU 16 -3.664 0.424 1.162 113 HG LEU 16 HG LEU 16 -3.984 -2.341 0.073 114 HD11 LEU 16 HD11 LEU 16 -4.058 -3.236 2.354 115 HD12 LEU 16 HD12 LEU 16 -3.502 -1.683 2.976 116 HD13 LEU 16 HD13 LEU 16 -2.452 -2.643 1.933 117 HD21 LEU 16 HD21 LEU 16 -5.929 -0.873 0.245 118 HD22 LEU 16 HD22 LEU 16 -5.612 -0.641 1.964 119 HD23 LEU 16 HD23 LEU 16 -6.064 -2.234 1.358 Start of MODEL 15 1 H CYS 1 HN CYS 1 -3.456 2.195 -0.776 2 HA CYS 1 HA CYS 1 -1.034 3.775 -0.450 3 HB2 CYS 1 HB2 CYS 1 -1.898 3.074 -3.033 4 HB3 CYS 1 HB1 CYS 1 -2.402 4.743 -2.799 5 H PHE 2 HN PHE 2 -1.459 5.474 0.730 6 HA PHE 2 HA PHE 2 -4.207 6.198 1.290 7 HB2 PHE 2 HB2 PHE 2 -1.568 7.139 2.389 8 HB3 PHE 2 HB1 PHE 2 -3.096 7.872 2.863 9 HD1 PHE 2 HD1 PHE 2 -4.682 6.666 4.238 10 HD2 PHE 2 HD2 PHE 2 -0.980 4.903 3.097 11 HE1 PHE 2 HE1 PHE 2 -4.985 4.929 5.952 12 HE2 PHE 2 HE2 PHE 2 -1.277 3.162 4.809 13 HZ PHE 2 HZ PHE 2 -3.282 3.173 6.240 14 HA PRO 3 HA PRO 3 -4.374 9.754 -1.419 15 HB2 PRO 3 HB2 PRO 3 -6.251 11.178 0.251 16 HB3 PRO 3 HB1 PRO 3 -6.580 10.244 -1.216 17 HG2 PRO 3 HG2 PRO 3 -7.440 9.515 1.263 18 HG3 PRO 3 HG1 PRO 3 -7.148 8.375 -0.065 19 HD2 PRO 3 HD2 PRO 3 -5.399 9.034 2.271 20 HD3 PRO 3 HD1 PRO 3 -5.749 7.460 1.527 21 H ASP 4 HN ASP 4 -3.292 10.108 1.792 22 HA ASP 4 HA ASP 4 -2.808 12.967 1.647 23 HB2 ASP 4 HB2 ASP 4 -2.195 10.887 3.746 24 HB3 ASP 4 HB1 ASP 4 -1.679 12.565 3.887 25 H GLY 5 HN GLY 5 -1.147 10.083 0.848 26 HA2 GLY 5 HA2 GLY 5 0.799 10.328 -0.613 27 HA3 GLY 5 HA1 GLY 5 1.345 11.619 0.446 28 H ARG 6 HN ARG 6 0.064 8.440 1.356 29 HA ARG 6 HA ARG 6 2.724 7.696 2.359 30 HB2 ARG 6 HB2 ARG 6 0.110 7.594 3.856 31 HB3 ARG 6 HB1 ARG 6 1.480 6.594 4.315 32 HG2 ARG 6 HG2 ARG 6 2.830 8.602 4.657 33 HG3 ARG 6 HG1 ARG 6 1.452 9.604 4.200 34 HD2 ARG 6 HD2 ARG 6 0.176 8.703 6.085 35 HD3 ARG 6 HD1 ARG 6 1.556 7.706 6.542 36 HE ARG 6 HE ARG 6 2.401 10.368 6.431 37 HH11 ARG 6 HH11 ARG 6 0.275 8.379 8.397 38 HH12 ARG 6 HH12 ARG 6 0.496 9.346 9.817 39 HH21 ARG 6 HH21 ARG 6 2.675 11.618 8.302 40 HH22 ARG 6 HH22 ARG 6 1.853 11.177 9.762 41 H CYS 7 HN CYS 7 3.327 6.028 1.215 42 HA CYS 7 HA CYS 7 1.584 3.719 0.934 43 HB2 CYS 7 HB2 CYS 7 2.044 5.414 -1.182 44 HB3 CYS 7 HB1 CYS 7 3.321 4.223 -1.393 45 H LYS 8 HN LYS 8 2.608 1.743 0.999 46 HA LYS 8 HA LYS 8 5.537 1.695 1.176 47 HB2 LYS 8 HB2 LYS 8 3.637 0.739 3.317 48 HB3 LYS 8 HB1 LYS 8 5.286 0.144 3.202 49 HG2 LYS 8 HG2 LYS 8 6.134 2.417 3.484 50 HG3 LYS 8 HG1 LYS 8 4.478 3.021 3.587 51 HD2 LYS 8 HD2 LYS 8 4.108 1.653 5.586 52 HD3 LYS 8 HD1 LYS 8 5.766 1.054 5.482 53 HE2 LYS 8 HE2 LYS 8 6.604 3.334 5.775 54 HE3 LYS 8 HE1 LYS 8 4.949 3.933 5.873 55 HZ1 LYS 8 HZ1 LYS 8 4.624 2.597 7.861 56 HZ2 LYS 8 HZ2 LYS 8 5.920 3.662 8.065 57 HZ3 LYS 8 HZ3 LYS 8 6.212 2.023 7.766 58 H ARG 9 HN ARG 9 3.172 0.623 -0.561 59 HA ARG 9 HA ARG 9 4.334 -2.039 -0.939 60 HB2 ARG 9 HB2 ARG 9 1.403 -1.447 -0.565 61 HB3 ARG 9 HB1 ARG 9 1.965 -2.898 -1.382 62 HG2 ARG 9 HG2 ARG 9 3.189 -3.551 0.642 63 HG3 ARG 9 HG1 ARG 9 2.585 -2.108 1.458 64 HD2 ARG 9 HD2 ARG 9 0.289 -2.898 1.142 65 HD3 ARG 9 HD1 ARG 9 0.897 -4.339 0.330 66 HE ARG 9 HE ARG 9 2.080 -4.134 2.874 67 HH11 ARG 9 HH11 ARG 9 -1.037 -4.872 1.435 68 HH12 ARG 9 HH12 ARG 9 -1.537 -5.876 2.755 69 HH21 ARG 9 HH21 ARG 9 1.405 -5.452 4.590 70 HH22 ARG 9 HH22 ARG 9 -0.154 -6.203 4.539 71 HA PRO 10 HA PRO 10 4.322 -0.284 -5.143 72 HB2 PRO 10 HB2 PRO 10 5.366 -2.956 -5.887 73 HB3 PRO 10 HB1 PRO 10 6.086 -1.356 -6.148 74 HG2 PRO 10 HG2 PRO 10 7.100 -3.040 -4.365 75 HG3 PRO 10 HG1 PRO 10 7.049 -1.290 -4.067 76 HD2 PRO 10 HD2 PRO 10 5.267 -3.436 -2.989 77 HD3 PRO 10 HD1 PRO 10 5.964 -2.022 -2.170 78 HA PRO 11 HA PRO 11 0.695 -2.066 -7.086 79 HB2 PRO 11 HB2 PRO 11 1.953 -2.065 -9.756 80 HB3 PRO 11 HB1 PRO 11 0.557 -1.141 -9.173 81 HG2 PRO 11 HG2 PRO 11 2.879 0.048 -9.687 82 HG3 PRO 11 HG1 PRO 11 1.848 0.559 -8.334 83 HD2 PRO 11 HD2 PRO 11 4.312 -1.141 -8.283 84 HD3 PRO 11 HD1 PRO 11 3.827 0.176 -7.196 85 H GLY 12 HN GLY 12 -0.074 -4.066 -7.211 86 HA2 GLY 12 HA2 GLY 12 1.316 -6.146 -8.692 87 HA3 GLY 12 HA1 GLY 12 1.211 -6.401 -6.957 88 H PHE 13 HN PHE 13 -0.604 -7.244 -6.114 89 HA PHE 13 HA PHE 13 -2.848 -7.724 -7.957 90 HB2 PHE 13 HB2 PHE 13 -1.886 -9.306 -5.567 91 HB3 PHE 13 HB1 PHE 13 -3.419 -9.615 -6.374 92 HD1 PHE 13 HD1 PHE 13 0.218 -9.856 -6.625 93 HD2 PHE 13 HD2 PHE 13 -3.489 -10.614 -8.575 94 HE1 PHE 13 HE1 PHE 13 1.368 -11.320 -8.233 95 HE2 PHE 13 HE2 PHE 13 -2.345 -12.079 -10.187 96 HZ PHE 13 HZ PHE 13 0.086 -12.435 -10.017 97 H SER 14 HN SER 14 -2.173 -7.115 -4.499 98 HA SER 14 HA SER 14 -4.571 -5.442 -4.372 99 HB2 SER 14 HB2 SER 14 -3.937 -7.636 -2.376 100 HB3 SER 14 HB1 SER 14 -5.229 -6.450 -2.203 101 HG SER 14 HG SER 14 -5.917 -7.317 -4.361 102 HA PRO 15 HA PRO 15 -0.948 -3.464 -2.229 103 HB2 PRO 15 HB2 PRO 15 -0.723 -1.234 -3.713 104 HB3 PRO 15 HB1 PRO 15 -0.057 -2.782 -4.267 105 HG2 PRO 15 HG2 PRO 15 -2.542 -1.386 -5.107 106 HG3 PRO 15 HG1 PRO 15 -1.377 -2.308 -6.079 107 HD2 PRO 15 HD2 PRO 15 -3.805 -3.312 -5.140 108 HD3 PRO 15 HD1 PRO 15 -2.428 -4.301 -5.660 109 H LEU 16 HN LEU 16 -0.789 -1.111 -1.368 110 HA LEU 16 HA LEU 16 -3.418 0.028 -0.742 111 HB2 LEU 16 HB2 LEU 16 -1.314 -0.761 1.276 112 HB3 LEU 16 HB1 LEU 16 -2.621 0.349 1.640 113 HG LEU 16 HG LEU 16 -3.273 -2.379 0.591 114 HD11 LEU 16 HD11 LEU 16 -1.687 -2.796 2.383 115 HD12 LEU 16 HD12 LEU 16 -3.319 -3.232 2.889 116 HD13 LEU 16 HD13 LEU 16 -2.592 -1.728 3.455 117 HD21 LEU 16 HD21 LEU 16 -5.271 -2.061 1.969 118 HD22 LEU 16 HD22 LEU 16 -5.063 -0.731 0.831 119 HD23 LEU 16 HD23 LEU 16 -4.642 -0.511 2.529 Start of MODEL 16 1 H CYS 1 HN CYS 1 -4.679 2.475 1.520 2 HA CYS 1 HA CYS 1 -2.043 3.418 0.707 3 HB2 CYS 1 HB2 CYS 1 -3.421 1.945 -1.124 4 HB3 CYS 1 HB1 CYS 1 -4.029 3.559 -1.480 5 H PHE 2 HN PHE 2 -1.905 5.474 1.195 6 HA PHE 2 HA PHE 2 -4.344 7.051 1.540 7 HB2 PHE 2 HB2 PHE 2 -1.501 7.456 2.454 8 HB3 PHE 2 HB1 PHE 2 -2.716 8.721 2.587 9 HD1 PHE 2 HD1 PHE 2 -4.584 8.492 4.138 10 HD2 PHE 2 HD2 PHE 2 -1.539 5.530 3.883 11 HE1 PHE 2 HE1 PHE 2 -5.322 7.554 6.289 12 HE2 PHE 2 HE2 PHE 2 -2.273 4.586 6.033 13 HZ PHE 2 HZ PHE 2 -4.168 5.598 7.239 14 HA PRO 3 HA PRO 3 -3.455 9.265 -2.277 15 HB2 PRO 3 HB2 PRO 3 -5.214 11.434 -1.477 16 HB3 PRO 3 HB1 PRO 3 -5.489 10.185 -2.703 17 HG2 PRO 3 HG2 PRO 3 -6.894 10.321 -0.396 18 HG3 PRO 3 HG1 PRO 3 -6.573 8.803 -1.258 19 HD2 PRO 3 HD2 PRO 3 -5.199 9.930 1.152 20 HD3 PRO 3 HD1 PRO 3 -5.697 8.261 0.808 21 H ASP 4 HN ASP 4 -3.143 10.774 0.824 22 HA ASP 4 HA ASP 4 -1.173 12.664 -0.277 23 HB2 ASP 4 HB2 ASP 4 -3.308 13.223 1.785 24 HB3 ASP 4 HB1 ASP 4 -1.906 14.264 1.555 25 H GLY 5 HN GLY 5 -1.893 10.236 1.987 26 HA2 GLY 5 HA2 GLY 5 0.201 11.001 3.874 27 HA3 GLY 5 HA1 GLY 5 -0.895 9.637 4.031 28 H ARG 6 HN ARG 6 0.381 7.912 4.249 29 HA ARG 6 HA ARG 6 2.514 7.499 2.255 30 HB2 ARG 6 HB2 ARG 6 2.395 6.727 5.165 31 HB3 ARG 6 HB1 ARG 6 3.520 5.970 4.047 32 HG2 ARG 6 HG2 ARG 6 4.507 8.158 3.565 33 HG3 ARG 6 HG1 ARG 6 3.386 8.907 4.703 34 HD2 ARG 6 HD2 ARG 6 4.325 7.564 6.516 35 HD3 ARG 6 HD1 ARG 6 5.439 6.803 5.380 36 HE ARG 6 HE ARG 6 5.758 9.596 5.264 37 HH11 ARG 6 HH11 ARG 6 6.436 6.927 7.444 38 HH12 ARG 6 HH12 ARG 6 7.788 7.721 8.180 39 HH21 ARG 6 HH21 ARG 6 7.531 10.616 6.241 40 HH22 ARG 6 HH22 ARG 6 8.406 9.808 7.498 41 H CYS 7 HN CYS 7 2.612 5.587 1.193 42 HA CYS 7 HA CYS 7 0.787 3.431 1.911 43 HB2 CYS 7 HB2 CYS 7 -0.355 4.775 0.203 44 HB3 CYS 7 HB1 CYS 7 1.053 4.666 -0.843 45 H LYS 8 HN LYS 8 1.342 1.376 1.055 46 HA LYS 8 HA LYS 8 3.994 1.093 -0.167 47 HB2 LYS 8 HB2 LYS 8 3.093 -0.204 2.410 48 HB3 LYS 8 HB1 LYS 8 4.410 -0.851 1.443 49 HG2 LYS 8 HG2 LYS 8 5.642 1.241 1.711 50 HG3 LYS 8 HG1 LYS 8 4.315 1.898 2.673 51 HD2 LYS 8 HD2 LYS 8 4.644 0.125 4.331 52 HD3 LYS 8 HD1 LYS 8 5.971 -0.528 3.369 53 HE2 LYS 8 HE2 LYS 8 7.203 1.567 3.649 54 HE3 LYS 8 HE1 LYS 8 5.875 2.221 4.608 55 HZ1 LYS 8 HZ1 LYS 8 7.652 1.389 6.013 56 HZ2 LYS 8 HZ2 LYS 8 7.518 -0.148 5.321 57 HZ3 LYS 8 HZ3 LYS 8 6.245 0.477 6.241 58 H ARG 9 HN ARG 9 4.348 -1.067 -1.101 59 HA ARG 9 HA ARG 9 1.917 -2.639 -1.539 60 HB2 ARG 9 HB2 ARG 9 3.590 -1.386 -3.716 61 HB3 ARG 9 HB1 ARG 9 2.554 -2.773 -4.017 62 HG2 ARG 9 HG2 ARG 9 0.608 -1.477 -3.305 63 HG3 ARG 9 HG1 ARG 9 1.650 -0.085 -3.000 64 HD2 ARG 9 HD2 ARG 9 2.286 -0.047 -5.363 65 HD3 ARG 9 HD1 ARG 9 1.247 -1.438 -5.666 66 HE ARG 9 HE ARG 9 -0.300 0.576 -4.493 67 HH11 ARG 9 HH11 ARG 9 1.381 -0.008 -7.521 68 HH12 ARG 9 HH12 ARG 9 0.311 0.995 -8.441 69 HH21 ARG 9 HH21 ARG 9 -1.689 1.883 -5.718 70 HH22 ARG 9 HH22 ARG 9 -1.425 2.065 -7.420 71 HA PRO 10 HA PRO 10 5.666 -5.361 -0.960 72 HB2 PRO 10 HB2 PRO 10 4.466 -6.486 1.409 73 HB3 PRO 10 HB1 PRO 10 5.917 -5.478 1.303 74 HG2 PRO 10 HG2 PRO 10 3.596 -4.693 2.514 75 HG3 PRO 10 HG1 PRO 10 4.803 -3.580 1.842 76 HD2 PRO 10 HD2 PRO 10 2.225 -4.513 0.643 77 HD3 PRO 10 HD1 PRO 10 2.953 -2.890 0.635 78 HA PRO 11 HA PRO 11 3.793 -9.092 -2.621 79 HB2 PRO 11 HB2 PRO 11 5.190 -10.791 -0.617 80 HB3 PRO 11 HB1 PRO 11 5.264 -10.848 -2.388 81 HG2 PRO 11 HG2 PRO 11 7.305 -9.920 -0.988 82 HG3 PRO 11 HG1 PRO 11 6.824 -9.160 -2.520 83 HD2 PRO 11 HD2 PRO 11 6.311 -8.242 0.280 84 HD3 PRO 11 HD1 PRO 11 6.764 -7.298 -1.153 85 H GLY 12 HN GLY 12 1.688 -9.367 -2.267 86 HA2 GLY 12 HA2 GLY 12 -0.027 -10.705 -1.235 87 HA3 GLY 12 HA1 GLY 12 0.817 -10.529 0.297 88 H PHE 13 HN PHE 13 -1.687 -9.399 -1.624 89 HA PHE 13 HA PHE 13 -1.838 -6.679 -0.846 90 HB2 PHE 13 HB2 PHE 13 -3.042 -7.963 -2.776 91 HB3 PHE 13 HB1 PHE 13 -4.271 -8.289 -1.560 92 HD1 PHE 13 HD1 PHE 13 -5.656 -6.507 -0.683 93 HD2 PHE 13 HD2 PHE 13 -2.683 -5.729 -3.627 94 HE1 PHE 13 HE1 PHE 13 -6.672 -4.310 -1.123 95 HE2 PHE 13 HE2 PHE 13 -3.692 -3.530 -4.071 96 HZ PHE 13 HZ PHE 13 -5.690 -2.817 -2.819 97 H SER 14 HN SER 14 -1.972 -6.040 1.178 98 HA SER 14 HA SER 14 -4.161 -6.940 2.854 99 HB2 SER 14 HB2 SER 14 -1.280 -7.185 3.748 100 HB3 SER 14 HB1 SER 14 -2.658 -7.261 4.843 101 HG SER 14 HG SER 14 -2.916 -9.256 4.272 102 HA PRO 15 HA PRO 15 -2.245 -2.821 4.741 103 HB2 PRO 15 HB2 PRO 15 -0.552 -1.427 3.078 104 HB3 PRO 15 HB1 PRO 15 0.005 -2.532 4.349 105 HG2 PRO 15 HG2 PRO 15 -0.304 -3.027 1.424 106 HG3 PRO 15 HG1 PRO 15 1.031 -3.474 2.509 107 HD2 PRO 15 HD2 PRO 15 -0.801 -5.290 1.801 108 HD3 PRO 15 HD1 PRO 15 -0.145 -5.255 3.449 109 H LEU 16 HN LEU 16 -2.372 -0.387 3.930 110 HA LEU 16 HA LEU 16 -4.543 -0.266 1.947 111 HB2 LEU 16 HB2 LEU 16 -5.530 1.551 3.156 112 HB3 LEU 16 HB1 LEU 16 -5.228 0.247 4.278 113 HG LEU 16 HG LEU 16 -3.355 2.606 4.060 114 HD11 LEU 16 HD11 LEU 16 -5.580 3.482 4.492 115 HD12 LEU 16 HD12 LEU 16 -4.566 3.611 5.929 116 HD13 LEU 16 HD13 LEU 16 -5.785 2.342 5.822 117 HD21 LEU 16 HD21 LEU 16 -3.914 0.560 6.213 118 HD22 LEU 16 HD22 LEU 16 -2.887 1.977 6.427 119 HD23 LEU 16 HD23 LEU 16 -2.437 0.732 5.264 Start of MODEL 17 1 H CYS 1 HN CYS 1 -3.337 1.922 -0.605 2 HA CYS 1 HA CYS 1 -1.002 3.648 -0.411 3 HB2 CYS 1 HB2 CYS 1 -2.369 3.090 -2.949 4 HB3 CYS 1 HB1 CYS 1 -2.248 4.806 -2.573 5 H PHE 2 HN PHE 2 -1.459 5.494 0.605 6 HA PHE 2 HA PHE 2 -4.188 5.976 1.456 7 HB2 PHE 2 HB2 PHE 2 -1.560 7.287 2.163 8 HB3 PHE 2 HB1 PHE 2 -3.106 7.837 2.801 9 HD1 PHE 2 HD1 PHE 2 -0.579 5.200 2.885 10 HD2 PHE 2 HD2 PHE 2 -4.321 6.518 4.426 11 HE1 PHE 2 HE1 PHE 2 -0.411 3.545 4.697 12 HE2 PHE 2 HE2 PHE 2 -4.159 4.865 6.242 13 HZ PHE 2 HZ PHE 2 -2.202 3.376 6.379 14 HA PRO 3 HA PRO 3 -5.166 9.238 -1.436 15 HB2 PRO 3 HB2 PRO 3 -6.368 10.899 0.670 16 HB3 PRO 3 HB1 PRO 3 -7.148 10.106 -0.709 17 HG2 PRO 3 HG2 PRO 3 -7.545 9.265 1.791 18 HG3 PRO 3 HG1 PRO 3 -7.476 8.141 0.419 19 HD2 PRO 3 HD2 PRO 3 -5.362 8.769 2.445 20 HD3 PRO 3 HD1 PRO 3 -5.857 7.200 1.777 21 H ASP 4 HN ASP 4 -3.738 10.269 1.583 22 HA ASP 4 HA ASP 4 -2.160 12.286 0.159 23 HB2 ASP 4 HB2 ASP 4 -3.744 12.773 2.690 24 HB3 ASP 4 HB1 ASP 4 -2.435 13.824 2.160 25 H GLY 5 HN GLY 5 -0.110 11.754 0.419 26 HA2 GLY 5 HA2 GLY 5 1.638 11.791 2.265 27 HA3 GLY 5 HA1 GLY 5 0.719 10.454 2.936 28 H ARG 6 HN ARG 6 1.677 8.583 2.618 29 HA ARG 6 HA ARG 6 2.886 7.997 0.004 30 HB2 ARG 6 HB2 ARG 6 4.156 7.627 2.719 31 HB3 ARG 6 HB1 ARG 6 4.701 6.734 1.306 32 HG2 ARG 6 HG2 ARG 6 5.248 8.820 0.179 33 HG3 ARG 6 HG1 ARG 6 4.663 9.736 1.570 34 HD2 ARG 6 HD2 ARG 6 6.377 8.682 2.971 35 HD3 ARG 6 HD1 ARG 6 6.965 7.785 1.572 36 HE ARG 6 HE ARG 6 7.023 10.469 0.883 37 HH11 ARG 6 HH11 ARG 6 8.600 8.416 3.257 38 HH12 ARG 6 HH12 ARG 6 10.030 9.390 3.318 39 HH21 ARG 6 HH21 ARG 6 8.905 11.728 0.979 40 HH22 ARG 6 HH22 ARG 6 10.201 11.264 2.029 41 H CYS 7 HN CYS 7 3.710 5.433 0.385 42 HA CYS 7 HA CYS 7 1.466 3.905 1.476 43 HB2 CYS 7 HB2 CYS 7 2.627 3.217 -1.224 44 HB3 CYS 7 HB1 CYS 7 1.106 2.684 -0.520 45 H LYS 8 HN LYS 8 2.176 1.368 0.941 46 HA LYS 8 HA LYS 8 5.007 1.036 1.637 47 HB2 LYS 8 HB2 LYS 8 2.671 0.025 3.254 48 HB3 LYS 8 HB1 LYS 8 4.267 -0.701 3.368 49 HG2 LYS 8 HG2 LYS 8 5.195 1.445 4.080 50 HG3 LYS 8 HG1 LYS 8 3.593 2.176 3.961 51 HD2 LYS 8 HD2 LYS 8 2.766 0.631 5.672 52 HD3 LYS 8 HD1 LYS 8 4.368 -0.097 5.790 53 HE2 LYS 8 HE2 LYS 8 5.289 2.052 6.512 54 HE3 LYS 8 HE1 LYS 8 3.687 2.779 6.393 55 HZ1 LYS 8 HZ1 LYS 8 4.448 0.563 8.219 56 HZ2 LYS 8 HZ2 LYS 8 2.911 1.260 8.106 57 HZ3 LYS 8 HZ3 LYS 8 4.217 2.178 8.669 58 H ARG 9 HN ARG 9 2.615 0.224 -0.417 59 HA ARG 9 HA ARG 9 3.894 -2.318 -1.113 60 HB2 ARG 9 HB2 ARG 9 0.939 -1.905 -0.701 61 HB3 ARG 9 HB1 ARG 9 1.562 -3.201 -1.712 62 HG2 ARG 9 HG2 ARG 9 2.903 -3.953 0.290 63 HG3 ARG 9 HG1 ARG 9 1.956 -2.806 1.240 64 HD2 ARG 9 HD2 ARG 9 -0.106 -3.941 0.480 65 HD3 ARG 9 HD1 ARG 9 0.889 -5.125 -0.366 66 HE ARG 9 HE ARG 9 1.659 -4.996 2.344 67 HH11 ARG 9 HH11 ARG 9 -0.977 -6.194 0.356 68 HH12 ARG 9 HH12 ARG 9 -1.405 -7.444 1.476 69 HH21 ARG 9 HH21 ARG 9 1.081 -6.640 3.795 70 HH22 ARG 9 HH22 ARG 9 -0.241 -7.695 3.420 71 HA PRO 10 HA PRO 10 3.856 -0.054 -5.060 72 HB2 PRO 10 HB2 PRO 10 4.965 -2.580 -6.136 73 HB3 PRO 10 HB1 PRO 10 5.651 -0.945 -6.180 74 HG2 PRO 10 HG2 PRO 10 6.691 -2.824 -4.622 75 HG3 PRO 10 HG1 PRO 10 6.600 -1.129 -4.100 76 HD2 PRO 10 HD2 PRO 10 4.861 -3.436 -3.324 77 HD3 PRO 10 HD1 PRO 10 5.520 -2.124 -2.324 78 HA PRO 11 HA PRO 11 0.288 -1.676 -7.237 79 HB2 PRO 11 HB2 PRO 11 1.491 -1.201 -9.882 80 HB3 PRO 11 HB1 PRO 11 0.096 -0.409 -9.127 81 HG2 PRO 11 HG2 PRO 11 2.399 0.882 -9.498 82 HG3 PRO 11 HG1 PRO 11 1.377 1.172 -8.075 83 HD2 PRO 11 HD2 PRO 11 3.865 -0.481 -8.300 84 HD3 PRO 11 HD1 PRO 11 3.377 0.657 -7.028 85 H GLY 12 HN GLY 12 -0.419 -3.642 -7.744 86 HA2 GLY 12 HA2 GLY 12 0.612 -5.370 -9.684 87 HA3 GLY 12 HA1 GLY 12 1.326 -5.828 -8.144 88 H PHE 13 HN PHE 13 0.076 -6.797 -6.577 89 HA PHE 13 HA PHE 13 -2.689 -7.468 -7.342 90 HB2 PHE 13 HB2 PHE 13 -0.857 -9.324 -7.488 91 HB3 PHE 13 HB1 PHE 13 -0.977 -9.347 -5.733 92 HD1 PHE 13 HD1 PHE 13 -2.971 -10.170 -4.632 93 HD2 PHE 13 HD2 PHE 13 -2.670 -10.114 -8.878 94 HE1 PHE 13 HE1 PHE 13 -4.909 -11.679 -4.786 95 HE2 PHE 13 HE2 PHE 13 -4.608 -11.623 -9.038 96 HZ PHE 13 HZ PHE 13 -5.730 -12.406 -6.991 97 H SER 14 HN SER 14 -3.974 -6.366 -6.043 98 HA SER 14 HA SER 14 -4.907 -5.341 -4.252 99 HB2 SER 14 HB2 SER 14 -3.836 -7.790 -2.824 100 HB3 SER 14 HB1 SER 14 -5.062 -6.699 -2.179 101 HG SER 14 HG SER 14 -6.505 -7.592 -3.427 102 HA PRO 15 HA PRO 15 -0.955 -3.554 -2.520 103 HB2 PRO 15 HB2 PRO 15 -0.841 -1.224 -3.857 104 HB3 PRO 15 HB1 PRO 15 -0.271 -2.737 -4.586 105 HG2 PRO 15 HG2 PRO 15 -2.781 -1.233 -5.077 106 HG3 PRO 15 HG1 PRO 15 -1.762 -2.141 -6.212 107 HD2 PRO 15 HD2 PRO 15 -4.123 -3.099 -5.038 108 HD3 PRO 15 HD1 PRO 15 -2.881 -4.098 -5.814 109 H LEU 16 HN LEU 16 -0.653 -1.247 -1.535 110 HA LEU 16 HA LEU 16 -3.189 -0.196 -0.494 111 HB2 LEU 16 HB2 LEU 16 -0.784 -1.013 1.131 112 HB3 LEU 16 HB1 LEU 16 -2.018 0.069 1.746 113 HG LEU 16 HG LEU 16 -2.746 -2.668 0.738 114 HD11 LEU 16 HD11 LEU 16 -2.524 -3.514 3.009 115 HD12 LEU 16 HD12 LEU 16 -1.860 -1.966 3.533 116 HD13 LEU 16 HD13 LEU 16 -0.966 -2.966 2.389 117 HD21 LEU 16 HD21 LEU 16 -4.581 -1.122 1.120 118 HD22 LEU 16 HD22 LEU 16 -3.987 -0.784 2.745 119 HD23 LEU 16 HD23 LEU 16 -4.596 -2.390 2.346 Start of MODEL 18 1 H CYS 1 HN CYS 1 -3.705 2.590 3.065 2 HA CYS 1 HA CYS 1 -1.546 3.427 1.313 3 HB2 CYS 1 HB2 CYS 1 -3.096 1.476 0.302 4 HB3 CYS 1 HB1 CYS 1 -4.078 2.873 -0.133 5 H PHE 2 HN PHE 2 -1.503 5.536 1.396 6 HA PHE 2 HA PHE 2 -4.046 6.995 1.695 7 HB2 PHE 2 HB2 PHE 2 -1.903 7.031 3.413 8 HB3 PHE 2 HB1 PHE 2 -1.616 8.460 2.426 9 HD1 PHE 2 HD1 PHE 2 -3.783 6.897 4.904 10 HD2 PHE 2 HD2 PHE 2 -3.176 10.332 2.465 11 HE1 PHE 2 HE1 PHE 2 -5.419 8.142 6.255 12 HE2 PHE 2 HE2 PHE 2 -4.810 11.583 3.812 13 HZ PHE 2 HZ PHE 2 -5.934 10.488 5.709 14 HA PRO 3 HA PRO 3 -2.879 8.766 -2.300 15 HB2 PRO 3 HB2 PRO 3 -5.025 10.712 -2.054 16 HB3 PRO 3 HB1 PRO 3 -4.924 9.311 -3.133 17 HG2 PRO 3 HG2 PRO 3 -6.689 9.466 -1.095 18 HG3 PRO 3 HG1 PRO 3 -6.013 7.934 -1.684 19 HD2 PRO 3 HD2 PRO 3 -5.227 9.542 0.716 20 HD3 PRO 3 HD1 PRO 3 -5.430 7.787 0.546 21 H ASP 4 HN ASP 4 -3.458 10.762 0.501 22 HA ASP 4 HA ASP 4 -1.874 12.958 -0.628 23 HB2 ASP 4 HB2 ASP 4 -3.722 12.822 1.754 24 HB3 ASP 4 HB1 ASP 4 -2.688 14.209 1.426 25 H GLY 5 HN GLY 5 -1.665 10.359 1.577 26 HA2 GLY 5 HA2 GLY 5 0.608 11.548 3.012 27 HA3 GLY 5 HA1 GLY 5 -0.262 10.098 3.489 28 H ARG 6 HN ARG 6 0.941 8.345 3.327 29 HA ARG 6 HA ARG 6 2.649 7.995 0.960 30 HB2 ARG 6 HB2 ARG 6 3.445 7.600 3.843 31 HB3 ARG 6 HB1 ARG 6 4.308 6.830 2.519 32 HG2 ARG 6 HG2 ARG 6 4.813 9.035 1.574 33 HG3 ARG 6 HG1 ARG 6 3.962 9.798 2.916 34 HD2 ARG 6 HD2 ARG 6 6.289 7.930 3.310 35 HD3 ARG 6 HD1 ARG 6 6.490 9.668 3.097 36 HE ARG 6 HE ARG 6 4.631 9.227 5.149 37 HH11 ARG 6 HH11 ARG 6 8.070 8.806 4.577 38 HH12 ARG 6 HH12 ARG 6 8.485 8.973 6.250 39 HH21 ARG 6 HH21 ARG 6 5.196 9.441 7.333 40 HH22 ARG 6 HH22 ARG 6 6.859 9.332 7.809 41 H CYS 7 HN CYS 7 2.742 5.963 0.136 42 HA CYS 7 HA CYS 7 1.477 3.760 1.567 43 HB2 CYS 7 HB2 CYS 7 -0.244 4.748 0.083 44 HB3 CYS 7 HB1 CYS 7 0.833 4.547 -1.291 45 H LYS 8 HN LYS 8 1.974 1.633 0.624 46 HA LYS 8 HA LYS 8 4.347 1.562 -1.100 47 HB2 LYS 8 HB2 LYS 8 4.127 0.312 1.637 48 HB3 LYS 8 HB1 LYS 8 5.289 -0.244 0.442 49 HG2 LYS 8 HG2 LYS 8 6.305 1.976 0.390 50 HG3 LYS 8 HG1 LYS 8 5.134 2.539 1.583 51 HD2 LYS 8 HD2 LYS 8 5.986 0.897 3.189 52 HD3 LYS 8 HD1 LYS 8 7.158 0.339 1.994 53 HE2 LYS 8 HE2 LYS 8 8.177 2.562 1.957 54 HE3 LYS 8 HE1 LYS 8 7.003 3.121 3.148 55 HZ1 LYS 8 HZ1 LYS 8 7.886 1.513 4.720 56 HZ2 LYS 8 HZ2 LYS 8 9.107 2.552 4.183 57 HZ3 LYS 8 HZ3 LYS 8 9.012 0.976 3.577 58 H ARG 9 HN ARG 9 4.452 -0.143 -2.454 59 HA ARG 9 HA ARG 9 2.590 -2.372 -2.133 60 HB2 ARG 9 HB2 ARG 9 2.613 -0.433 -4.408 61 HB3 ARG 9 HB1 ARG 9 2.237 -2.117 -4.738 62 HG2 ARG 9 HG2 ARG 9 0.788 -0.760 -2.526 63 HG3 ARG 9 HG1 ARG 9 0.357 -0.352 -4.186 64 HD2 ARG 9 HD2 ARG 9 -0.049 -2.714 -4.666 65 HD3 ARG 9 HD1 ARG 9 0.402 -3.133 -3.013 66 HE ARG 9 HE ARG 9 -1.646 -1.270 -2.843 67 HH11 ARG 9 HH11 ARG 9 -1.262 -4.534 -4.079 68 HH12 ARG 9 HH12 ARG 9 -2.919 -4.958 -3.801 69 HH21 ARG 9 HH21 ARG 9 -3.810 -1.845 -2.487 70 HH22 ARG 9 HH22 ARG 9 -4.358 -3.435 -2.900 71 HA PRO 10 HA PRO 10 6.214 -3.477 -5.385 72 HB2 PRO 10 HB2 PRO 10 8.273 -1.648 -4.242 73 HB3 PRO 10 HB1 PRO 10 8.031 -2.178 -5.915 74 HG2 PRO 10 HG2 PRO 10 7.340 0.257 -5.184 75 HG3 PRO 10 HG1 PRO 10 6.325 -0.682 -6.300 76 HD2 PRO 10 HD2 PRO 10 5.905 -0.103 -3.403 77 HD3 PRO 10 HD1 PRO 10 4.725 -0.198 -4.722 78 HA PRO 11 HA PRO 11 9.099 -4.531 -1.452 79 HB2 PRO 11 HB2 PRO 11 7.114 -3.852 0.664 80 HB3 PRO 11 HB1 PRO 11 8.884 -3.723 0.694 81 HG2 PRO 11 HG2 PRO 11 7.416 -1.558 0.451 82 HG3 PRO 11 HG1 PRO 11 8.901 -1.752 -0.505 83 HD2 PRO 11 HD2 PRO 11 6.054 -2.063 -1.362 84 HD3 PRO 11 HD1 PRO 11 7.420 -1.331 -2.223 85 H GLY 12 HN GLY 12 5.635 -4.928 -1.626 86 HA2 GLY 12 HA2 GLY 12 5.261 -7.452 -2.176 87 HA3 GLY 12 HA1 GLY 12 5.818 -7.642 -0.522 88 H PHE 13 HN PHE 13 4.558 -6.535 1.170 89 HA PHE 13 HA PHE 13 1.707 -6.841 0.627 90 HB2 PHE 13 HB2 PHE 13 3.279 -6.619 3.195 91 HB3 PHE 13 HB1 PHE 13 1.521 -6.669 3.146 92 HD1 PHE 13 HD1 PHE 13 0.349 -8.708 2.578 93 HD2 PHE 13 HD2 PHE 13 4.602 -8.580 2.687 94 HE1 PHE 13 HE1 PHE 13 0.419 -11.167 2.573 95 HE2 PHE 13 HE2 PHE 13 4.680 -11.039 2.682 96 HZ PHE 13 HZ PHE 13 2.587 -12.335 2.623 97 H SER 14 HN SER 14 0.146 -5.322 1.182 98 HA SER 14 HA SER 14 1.049 -2.586 1.745 99 HB2 SER 14 HB2 SER 14 0.693 -2.848 -0.715 100 HB3 SER 14 HB1 SER 14 -0.984 -3.283 -0.393 101 HG SER 14 HG SER 14 -1.190 -1.177 -0.644 102 HA PRO 15 HA PRO 15 -2.494 -3.737 4.519 103 HB2 PRO 15 HB2 PRO 15 -1.098 -2.262 6.605 104 HB3 PRO 15 HB1 PRO 15 -1.523 -3.982 6.558 105 HG2 PRO 15 HG2 PRO 15 1.022 -3.119 6.427 106 HG3 PRO 15 HG1 PRO 15 0.461 -4.597 5.620 107 HD2 PRO 15 HD2 PRO 15 0.922 -1.869 4.436 108 HD3 PRO 15 HD1 PRO 15 1.367 -3.466 3.790 109 H LEU 16 HN LEU 16 -0.894 -0.669 4.046 110 HA LEU 16 HA LEU 16 -3.475 0.706 4.307 111 HB2 LEU 16 HB2 LEU 16 -0.886 1.585 5.590 112 HB3 LEU 16 HB1 LEU 16 -2.284 2.626 5.412 113 HG LEU 16 HG LEU 16 -2.620 0.021 6.837 114 HD11 LEU 16 HD11 LEU 16 -0.602 0.942 7.826 115 HD12 LEU 16 HD12 LEU 16 -1.957 1.080 8.946 116 HD13 LEU 16 HD13 LEU 16 -1.402 2.497 8.053 117 HD21 LEU 16 HD21 LEU 16 -4.571 1.421 6.381 118 HD22 LEU 16 HD22 LEU 16 -3.803 2.774 7.211 119 HD23 LEU 16 HD23 LEU 16 -4.251 1.327 8.113 Start of MODEL 19 1 H CYS 1 HN CYS 1 -4.210 2.081 -0.433 2 HA CYS 1 HA CYS 1 -1.747 3.627 -0.531 3 HB2 CYS 1 HB2 CYS 1 -3.500 3.204 -2.877 4 HB3 CYS 1 HB1 CYS 1 -3.018 4.870 -2.573 5 H PHE 2 HN PHE 2 -1.951 5.448 0.566 6 HA PHE 2 HA PHE 2 -4.572 6.220 1.569 7 HB2 PHE 2 HB2 PHE 2 -1.760 7.045 2.304 8 HB3 PHE 2 HB1 PHE 2 -3.187 7.796 3.009 9 HD1 PHE 2 HD1 PHE 2 -4.586 6.586 4.571 10 HD2 PHE 2 HD2 PHE 2 -1.131 4.780 2.865 11 HE1 PHE 2 HE1 PHE 2 -4.679 4.810 6.271 12 HE2 PHE 2 HE2 PHE 2 -1.219 2.999 4.561 13 HZ PHE 2 HZ PHE 2 -2.996 3.013 6.267 14 HA PRO 3 HA PRO 3 -5.004 9.847 -1.020 15 HB2 PRO 3 HB2 PRO 3 -5.919 11.545 1.186 16 HB3 PRO 3 HB1 PRO 3 -6.844 10.893 -0.178 17 HG2 PRO 3 HG2 PRO 3 -7.238 10.056 2.336 18 HG3 PRO 3 HG1 PRO 3 -7.415 8.979 0.935 19 HD2 PRO 3 HD2 PRO 3 -5.112 9.230 2.835 20 HD3 PRO 3 HD1 PRO 3 -5.885 7.770 2.186 21 H ASP 4 HN ASP 4 -2.640 9.757 1.261 22 HA ASP 4 HA ASP 4 -1.802 12.535 1.117 23 HB2 ASP 4 HB2 ASP 4 -1.582 10.883 3.144 24 HB3 ASP 4 HB1 ASP 4 -0.122 10.360 2.312 25 H GLY 5 HN GLY 5 -1.149 9.543 -0.473 26 HA2 GLY 5 HA2 GLY 5 -0.141 9.739 -2.709 27 HA3 GLY 5 HA1 GLY 5 1.030 10.835 -1.996 28 H ARG 6 HN ARG 6 1.186 9.010 0.424 29 HA ARG 6 HA ARG 6 3.175 7.192 -0.714 30 HB2 ARG 6 HB2 ARG 6 2.676 8.199 2.081 31 HB3 ARG 6 HB1 ARG 6 3.787 6.878 1.750 32 HG2 ARG 6 HG2 ARG 6 5.086 8.368 0.279 33 HG3 ARG 6 HG1 ARG 6 3.994 9.691 0.691 34 HD2 ARG 6 HD2 ARG 6 5.529 8.144 2.766 35 HD3 ARG 6 HD1 ARG 6 6.182 9.576 1.973 36 HE ARG 6 HE ARG 6 3.656 10.209 3.002 37 HH11 ARG 6 HH11 ARG 6 6.860 9.425 4.207 38 HH12 ARG 6 HH12 ARG 6 6.656 10.329 5.671 39 HH21 ARG 6 HH21 ARG 6 3.411 11.387 4.925 40 HH22 ARG 6 HH22 ARG 6 4.705 11.437 6.075 41 H CYS 7 HN CYS 7 3.153 5.013 -0.467 42 HA CYS 7 HA CYS 7 0.970 3.730 0.999 43 HB2 CYS 7 HB2 CYS 7 1.721 2.721 -1.734 44 HB3 CYS 7 HB1 CYS 7 0.243 2.440 -0.822 45 H LYS 8 HN LYS 8 1.528 1.833 1.977 46 HA LYS 8 HA LYS 8 4.018 0.495 1.271 47 HB2 LYS 8 HB2 LYS 8 3.549 1.823 3.936 48 HB3 LYS 8 HB1 LYS 8 4.655 0.467 3.768 49 HG2 LYS 8 HG2 LYS 8 5.975 1.736 2.154 50 HG3 LYS 8 HG1 LYS 8 4.861 3.097 2.313 51 HD2 LYS 8 HD2 LYS 8 5.424 3.269 4.693 52 HD3 LYS 8 HD1 LYS 8 6.548 1.919 4.522 53 HE2 LYS 8 HE2 LYS 8 7.858 3.219 2.916 54 HE3 LYS 8 HE1 LYS 8 6.734 4.566 3.086 55 HZ1 LYS 8 HZ1 LYS 8 8.419 3.438 5.256 56 HZ2 LYS 8 HZ2 LYS 8 7.341 4.732 5.418 57 HZ3 LYS 8 HZ3 LYS 8 8.708 4.889 4.434 58 H ARG 9 HN ARG 9 3.469 -1.543 1.045 59 HA ARG 9 HA ARG 9 2.086 -2.949 3.174 60 HB2 ARG 9 HB2 ARG 9 0.756 -2.218 0.719 61 HB3 ARG 9 HB1 ARG 9 0.883 -3.969 0.833 62 HG2 ARG 9 HG2 ARG 9 -0.096 -3.791 3.137 63 HG3 ARG 9 HG1 ARG 9 -0.409 -2.089 2.792 64 HD2 ARG 9 HD2 ARG 9 -2.417 -3.262 2.326 65 HD3 ARG 9 HD1 ARG 9 -1.701 -2.847 0.770 66 HE ARG 9 HE ARG 9 -0.772 -5.358 1.287 67 HH11 ARG 9 HH11 ARG 9 -3.994 -3.972 1.096 68 HH12 ARG 9 HH12 ARG 9 -4.722 -5.452 0.569 69 HH21 ARG 9 HH21 ARG 9 -1.748 -7.282 0.596 70 HH22 ARG 9 HH22 ARG 9 -3.452 -7.324 0.286 71 HA PRO 10 HA PRO 10 4.919 -6.183 1.959 72 HB2 PRO 10 HB2 PRO 10 2.981 -8.314 2.510 73 HB3 PRO 10 HB1 PRO 10 4.452 -7.890 3.402 74 HG2 PRO 10 HG2 PRO 10 2.007 -7.498 4.426 75 HG3 PRO 10 HG1 PRO 10 3.372 -6.418 4.774 76 HD2 PRO 10 HD2 PRO 10 1.113 -6.033 2.847 77 HD3 PRO 10 HD1 PRO 10 1.842 -4.875 3.979 78 HA PRO 11 HA PRO 11 3.900 -7.617 -2.158 79 HB2 PRO 11 HB2 PRO 11 5.606 -9.970 -1.988 80 HB3 PRO 11 HB1 PRO 11 5.898 -8.453 -2.855 81 HG2 PRO 11 HG2 PRO 11 7.340 -9.212 -0.700 82 HG3 PRO 11 HG1 PRO 11 7.039 -7.515 -1.124 83 HD2 PRO 11 HD2 PRO 11 5.674 -9.215 0.930 84 HD3 PRO 11 HD1 PRO 11 6.216 -7.527 1.038 85 H GLY 12 HN GLY 12 1.990 -8.466 -2.643 86 HA2 GLY 12 HA2 GLY 12 1.523 -11.295 -2.425 87 HA3 GLY 12 HA1 GLY 12 0.511 -10.346 -1.345 88 H PHE 13 HN PHE 13 -1.277 -9.407 -2.115 89 HA PHE 13 HA PHE 13 -1.649 -9.010 -4.979 90 HB2 PHE 13 HB2 PHE 13 -3.403 -10.831 -3.321 91 HB3 PHE 13 HB1 PHE 13 -3.915 -10.149 -4.860 92 HD1 PHE 13 HD1 PHE 13 -2.828 -10.845 -6.949 93 HD2 PHE 13 HD2 PHE 13 -1.837 -12.630 -3.214 94 HE1 PHE 13 HE1 PHE 13 -1.761 -12.719 -8.131 95 HE2 PHE 13 HE2 PHE 13 -0.766 -14.506 -4.390 96 HZ PHE 13 HZ PHE 13 -0.727 -14.553 -6.853 97 H SER 14 HN SER 14 -2.669 -7.163 -5.372 98 HA SER 14 HA SER 14 -3.815 -5.228 -5.146 99 HB2 SER 14 HB2 SER 14 -5.506 -6.810 -3.198 100 HB3 SER 14 HB1 SER 14 -5.938 -5.240 -3.875 101 HG SER 14 HG SER 14 -6.041 -6.163 -5.901 102 HA PRO 15 HA PRO 15 -1.594 -3.857 -1.335 103 HB2 PRO 15 HB2 PRO 15 -0.301 -1.735 -2.386 104 HB3 PRO 15 HB1 PRO 15 0.281 -3.394 -2.620 105 HG2 PRO 15 HG2 PRO 15 -1.226 -1.640 -4.493 106 HG3 PRO 15 HG1 PRO 15 0.132 -2.738 -4.815 107 HD2 PRO 15 HD2 PRO 15 -2.501 -3.382 -5.307 108 HD3 PRO 15 HD1 PRO 15 -1.228 -4.579 -5.001 109 H LEU 16 HN LEU 16 -1.444 -1.485 -0.381 110 HA LEU 16 HA LEU 16 -4.088 -0.228 -0.744 111 HB2 LEU 16 HB2 LEU 16 -3.485 -1.402 1.476 112 HB3 LEU 16 HB1 LEU 16 -2.427 -0.034 1.759 113 HG LEU 16 HG LEU 16 -4.635 1.352 1.314 114 HD11 LEU 16 HD11 LEU 16 -5.705 -1.292 2.290 115 HD12 LEU 16 HD12 LEU 16 -6.019 -0.563 0.716 116 HD13 LEU 16 HD13 LEU 16 -6.615 0.215 2.182 117 HD21 LEU 16 HD21 LEU 16 -4.061 -0.117 3.883 118 HD22 LEU 16 HD22 LEU 16 -5.063 1.325 3.727 119 HD23 LEU 16 HD23 LEU 16 -3.339 1.407 3.367 Start of MODEL 20 1 H CYS 1 HN CYS 1 -3.980 2.007 -0.800 2 HA CYS 1 HA CYS 1 -1.446 3.440 -0.769 3 HB2 CYS 1 HB2 CYS 1 -2.403 2.425 -3.193 4 HB3 CYS 1 HB1 CYS 1 -2.871 4.121 -3.207 5 H PHE 2 HN PHE 2 -1.760 5.259 0.263 6 HA PHE 2 HA PHE 2 -4.436 6.476 0.250 7 HB2 PHE 2 HB2 PHE 2 -2.211 6.596 2.283 8 HB3 PHE 2 HB1 PHE 2 -3.619 7.649 2.347 9 HD1 PHE 2 HD1 PHE 2 -5.803 6.776 2.927 10 HD2 PHE 2 HD2 PHE 2 -2.389 4.238 2.781 11 HE1 PHE 2 HE1 PHE 2 -7.044 5.043 4.155 12 HE2 PHE 2 HE2 PHE 2 -3.625 2.500 4.008 13 HZ PHE 2 HZ PHE 2 -5.955 2.902 4.697 14 HA PRO 3 HA PRO 3 -2.478 9.864 -2.008 15 HB2 PRO 3 HB2 PRO 3 -4.835 11.511 -1.574 16 HB3 PRO 3 HB1 PRO 3 -4.276 10.756 -3.076 17 HG2 PRO 3 HG2 PRO 3 -6.527 9.985 -1.802 18 HG3 PRO 3 HG1 PRO 3 -5.531 8.881 -2.770 19 HD2 PRO 3 HD2 PRO 3 -5.624 9.214 0.204 20 HD3 PRO 3 HD1 PRO 3 -5.553 7.730 -0.769 21 H ASP 4 HN ASP 4 -3.996 10.359 1.090 22 HA ASP 4 HA ASP 4 -2.498 12.836 1.537 23 HB2 ASP 4 HB2 ASP 4 -4.804 11.579 3.020 24 HB3 ASP 4 HB1 ASP 4 -3.923 12.976 3.632 25 H GLY 5 HN GLY 5 -2.667 9.528 2.530 26 HA2 GLY 5 HA2 GLY 5 -0.782 9.977 4.739 27 HA3 GLY 5 HA1 GLY 5 -1.698 8.505 4.454 28 H ARG 6 HN ARG 6 0.005 7.101 4.474 29 HA ARG 6 HA ARG 6 2.090 7.476 2.427 30 HB2 ARG 6 HB2 ARG 6 2.098 5.982 5.046 31 HB3 ARG 6 HB1 ARG 6 3.315 5.696 3.810 32 HG2 ARG 6 HG2 ARG 6 3.968 8.057 3.919 33 HG3 ARG 6 HG1 ARG 6 2.765 8.320 5.183 34 HD2 ARG 6 HD2 ARG 6 3.914 6.709 6.616 35 HD3 ARG 6 HD1 ARG 6 5.107 6.426 5.350 36 HE ARG 6 HE ARG 6 4.992 9.177 5.992 37 HH11 ARG 6 HH11 ARG 6 6.200 6.143 7.284 38 HH12 ARG 6 HH12 ARG 6 7.464 6.902 8.194 39 HH21 ARG 6 HH21 ARG 6 6.654 10.148 7.190 40 HH22 ARG 6 HH22 ARG 6 7.720 9.167 8.139 41 H CYS 7 HN CYS 7 2.783 5.624 1.217 42 HA CYS 7 HA CYS 7 0.963 3.347 1.138 43 HB2 CYS 7 HB2 CYS 7 0.181 4.926 -0.573 44 HB3 CYS 7 HB1 CYS 7 1.800 5.011 -1.253 45 H LYS 8 HN LYS 8 1.813 1.458 0.303 46 HA LYS 8 HA LYS 8 4.655 1.369 -0.407 47 HB2 LYS 8 HB2 LYS 8 3.346 -0.174 1.842 48 HB3 LYS 8 HB1 LYS 8 4.851 -0.695 1.100 49 HG2 LYS 8 HG2 LYS 8 5.912 1.402 1.763 50 HG3 LYS 8 HG1 LYS 8 4.398 1.935 2.498 51 HD2 LYS 8 HD2 LYS 8 4.485 0.038 4.047 52 HD3 LYS 8 HD1 LYS 8 5.997 -0.494 3.311 53 HE2 LYS 8 HE2 LYS 8 5.655 2.227 4.552 54 HE3 LYS 8 HE1 LYS 8 6.186 0.821 5.473 55 HZ1 LYS 8 HZ1 LYS 8 8.062 2.125 4.697 56 HZ2 LYS 8 HZ2 LYS 8 7.559 1.949 3.092 57 HZ3 LYS 8 HZ3 LYS 8 8.070 0.597 3.970 58 H ARG 9 HN ARG 9 5.148 -1.145 -0.949 59 HA ARG 9 HA ARG 9 2.859 -2.323 -2.344 60 HB2 ARG 9 HB2 ARG 9 5.466 -1.528 -3.642 61 HB3 ARG 9 HB1 ARG 9 4.411 -2.748 -4.341 62 HG2 ARG 9 HG2 ARG 9 2.608 -1.102 -4.491 63 HG3 ARG 9 HG1 ARG 9 3.672 0.122 -3.794 64 HD2 ARG 9 HD2 ARG 9 5.198 -0.129 -5.691 65 HD3 ARG 9 HD1 ARG 9 4.136 -1.355 -6.384 66 HE ARG 9 HE ARG 9 2.610 0.937 -5.977 67 HH11 ARG 9 HH11 ARG 9 5.331 -0.028 -7.979 68 HH12 ARG 9 HH12 ARG 9 4.939 1.086 -9.247 69 HH21 ARG 9 HH21 ARG 9 2.117 2.385 -7.651 70 HH22 ARG 9 HH22 ARG 9 3.122 2.449 -9.060 71 HA PRO 10 HA PRO 10 5.539 -5.562 -0.310 72 HB2 PRO 10 HB2 PRO 10 3.480 -6.201 1.579 73 HB3 PRO 10 HB1 PRO 10 5.024 -5.397 1.905 74 HG2 PRO 10 HG2 PRO 10 2.556 -4.209 2.168 75 HG3 PRO 10 HG1 PRO 10 4.088 -3.341 1.956 76 HD2 PRO 10 HD2 PRO 10 1.993 -3.993 -0.075 77 HD3 PRO 10 HD1 PRO 10 2.961 -2.515 0.117 78 HA PRO 11 HA PRO 11 3.379 -8.964 -2.288 79 HB2 PRO 11 HB2 PRO 11 4.195 -10.943 -0.292 80 HB3 PRO 11 HB1 PRO 11 4.762 -10.749 -1.960 81 HG2 PRO 11 HG2 PRO 11 6.336 -10.246 0.159 82 HG3 PRO 11 HG1 PRO 11 6.472 -9.356 -1.371 83 HD2 PRO 11 HD2 PRO 11 5.133 -8.525 1.177 84 HD3 PRO 11 HD1 PRO 11 6.177 -7.584 0.091 85 H GLY 12 HN GLY 12 1.229 -9.046 -2.237 86 HA2 GLY 12 HA2 GLY 12 -0.186 -10.596 -0.325 87 HA3 GLY 12 HA1 GLY 12 -0.427 -8.887 -0.007 88 H PHE 13 HN PHE 13 0.082 -9.663 -3.295 89 HA PHE 13 HA PHE 13 -1.183 -9.782 -5.164 90 HB2 PHE 13 HB2 PHE 13 -3.398 -10.617 -3.285 91 HB3 PHE 13 HB1 PHE 13 -3.560 -10.580 -5.036 92 HD1 PHE 13 HD1 PHE 13 -2.023 -12.283 -2.190 93 HD2 PHE 13 HD2 PHE 13 -2.451 -12.215 -6.423 94 HE1 PHE 13 HE1 PHE 13 -1.099 -14.560 -2.316 95 HE2 PHE 13 HE2 PHE 13 -1.528 -14.492 -6.557 96 HZ PHE 13 HZ PHE 13 -0.851 -15.667 -4.502 97 H SER 14 HN SER 14 -2.973 -8.121 -2.560 98 HA SER 14 HA SER 14 -3.483 -5.922 -4.439 99 HB2 SER 14 HB2 SER 14 -5.481 -7.055 -2.471 100 HB3 SER 14 HB1 SER 14 -5.729 -5.611 -3.451 101 HG SER 14 HG SER 14 -6.482 -6.977 -4.858 102 HA PRO 15 HA PRO 15 -1.621 -4.086 -0.634 103 HB2 PRO 15 HB2 PRO 15 -0.124 -2.174 -1.801 104 HB3 PRO 15 HB1 PRO 15 0.389 -3.872 -1.778 105 HG2 PRO 15 HG2 PRO 15 -0.834 -2.299 -3.988 106 HG3 PRO 15 HG1 PRO 15 0.477 -3.495 -4.041 107 HD2 PRO 15 HD2 PRO 15 -2.148 -4.053 -4.698 108 HD3 PRO 15 HD1 PRO 15 -0.972 -5.268 -4.164 109 H LEU 16 HN LEU 16 -1.443 -1.642 0.034 110 HA LEU 16 HA LEU 16 -3.954 -0.305 -0.744 111 HB2 LEU 16 HB2 LEU 16 -2.499 -0.378 1.896 112 HB3 LEU 16 HB1 LEU 16 -3.765 0.782 1.549 113 HG LEU 16 HG LEU 16 -4.375 -2.121 1.197 114 HD11 LEU 16 HD11 LEU 16 -4.987 -2.298 3.562 115 HD12 LEU 16 HD12 LEU 16 -4.277 -0.711 3.859 116 HD13 LEU 16 HD13 LEU 16 -3.252 -2.054 3.351 117 HD21 LEU 16 HD21 LEU 16 -6.588 -1.386 1.945 118 HD22 LEU 16 HD22 LEU 16 -6.031 -0.442 0.564 119 HD23 LEU 16 HD23 LEU 16 -5.965 0.247 2.187
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