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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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7690 |
1kvg ![]() ![]() |
cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H SER 1 H1 SER 1 -8.098 -1.787 -7.309 2 2H SER 1 H2 SER 1 -7.732 -0.514 -8.306 3 3H SER 1 H3 SER 1 -6.879 -1.921 -8.414 4 HA SER 1 HA SER 1 -6.908 -0.085 -6.150 5 1HB SER 1 HB1 SER 1 -5.348 -2.678 -6.514 6 2HB SER 1 HB2 SER 1 -5.243 -1.581 -5.122 7 HG SER 1 HG SER 1 -7.401 -2.029 -4.664 8 H CYS 2 H CYS 2 -5.111 1.254 -5.957 9 HA CYS 2 HA CYS 2 -2.884 1.046 -7.874 10 1HB CYS 2 HB1 CYS 2 -4.713 3.436 -7.563 11 2HB CYS 2 HB2 CYS 2 -3.032 3.597 -8.058 12 H HIS 3 H HIS 3 -0.981 1.571 -6.990 13 HA HIS 3 HA HIS 3 -0.711 2.752 -4.318 14 1HB HIS 3 HB1 HIS 3 0.236 0.567 -3.446 15 2HB HIS 3 HB2 HIS 3 -1.499 0.532 -3.741 16 HD2 HIS 3 HD2 HIS 3 1.773 -1.091 -5.138 17 HE1 HIS 3 HE1 HIS 3 -1.506 -2.739 -7.233 18 HE2 HIS 3 HE2 HIS 3 1.013 -2.910 -6.851 19 H PHE 4 H PHE 4 1.713 2.284 -3.629 20 HA PHE 4 HA PHE 4 3.479 2.660 -6.000 21 1HB PHE 4 HB1 PHE 4 3.623 4.286 -4.116 22 2HB PHE 4 HB2 PHE 4 4.122 2.970 -3.055 23 HD1 PHE 4 HD1 PHE 4 6.352 1.883 -3.364 24 HD2 PHE 4 HD2 PHE 4 5.089 5.143 -5.891 25 HE1 PHE 4 HE1 PHE 4 8.637 2.045 -4.307 26 HE2 PHE 4 HE2 PHE 4 7.387 5.329 -6.794 27 HZ PHE 4 HZ PHE 4 9.160 3.765 -6.023 28 H GLY 5 H GLY 5 4.983 1.089 -6.532 29 1HA GLY 5 HA1 GLY 5 5.382 -1.267 -4.800 30 2HA GLY 5 HA2 GLY 5 4.573 -1.514 -6.363 31 HA PRO 6 HA PRO 6 9.201 -2.095 -6.703 32 1HB PRO 6 HB1 PRO 6 8.079 -3.938 -8.831 33 2HB PRO 6 HB2 PRO 6 9.518 -4.174 -7.796 34 1HG PRO 6 HG1 PRO 6 7.194 -5.383 -7.133 35 2HG PRO 6 HG2 PRO 6 8.127 -4.533 -5.862 36 1HD PRO 6 HD1 PRO 6 5.715 -3.524 -7.390 37 2HD PRO 6 HD2 PRO 6 6.055 -3.445 -5.636 38 H LEU 7 H LEU 7 6.859 -1.776 -9.422 39 HA LEU 7 HA LEU 7 8.907 -0.386 -11.080 40 1HB LEU 7 HB1 LEU 7 6.142 -1.424 -11.789 41 2HB LEU 7 HB2 LEU 7 7.356 -0.789 -12.908 42 HG LEU 7 HG LEU 7 7.590 -3.343 -11.248 43 1HD1 LEU 7 HD11 LEU 7 5.979 -3.480 -13.110 44 2HD1 LEU 7 HD12 LEU 7 7.227 -2.909 -14.239 45 3HD1 LEU 7 HD13 LEU 7 7.414 -4.474 -13.419 46 1HD2 LEU 7 HD21 LEU 7 9.508 -2.116 -13.282 47 2HD2 LEU 7 HD22 LEU 7 9.833 -2.402 -11.556 48 3HD2 LEU 7 HD23 LEU 7 9.621 -3.771 -12.649 49 H GLY 8 H GLY 8 8.517 1.252 -9.160 50 1HA GLY 8 HA1 GLY 8 7.934 3.399 -8.661 51 2HA GLY 8 HA2 GLY 8 7.348 3.577 -10.323 52 H TRP 9 H TRP 9 5.201 4.085 -10.418 53 HA TRP 9 HA TRP 9 3.380 3.358 -8.218 54 1HB TRP 9 HB1 TRP 9 3.340 5.605 -9.304 55 2HB TRP 9 HB2 TRP 9 2.774 4.839 -10.789 56 HD1 TRP 9 HD1 TRP 9 0.214 4.415 -10.935 57 HE1 TRP 9 HE1 TRP 9 -1.804 4.713 -9.352 58 HE3 TRP 9 HE3 TRP 9 2.712 5.428 -6.583 59 HZ2 TRP 9 HZ2 TRP 9 -2.262 5.270 -6.573 60 HZ3 TRP 9 HZ3 TRP 9 1.458 5.795 -4.480 61 HH2 TRP 9 HH2 TRP 9 -1.023 5.710 -4.465 62 H VAL 10 H VAL 10 2.088 1.599 -8.295 63 HA VAL 10 HA VAL 10 1.870 0.017 -10.823 64 HB VAL 10 HB VAL 10 2.362 -0.974 -7.981 65 1HG1 VAL 10 HG11 VAL 10 2.060 -2.502 -10.607 66 2HG1 VAL 10 HG12 VAL 10 2.551 -3.210 -9.055 67 3HG1 VAL 10 HG13 VAL 10 0.925 -2.547 -9.241 68 1HG2 VAL 10 HG21 VAL 10 4.149 -0.959 -10.446 69 2HG2 VAL 10 HG22 VAL 10 4.428 -0.071 -8.932 70 3HG2 VAL 10 HG23 VAL 10 4.503 -1.836 -8.943 71 H CYS 11 H CYS 11 -0.141 -0.816 -11.239 72 HA CYS 11 HA CYS 11 -2.255 -0.572 -9.166 73 1HB CYS 11 HB1 CYS 11 -2.512 0.141 -12.106 74 2HB CYS 11 HB2 CYS 11 -3.850 0.061 -10.967 75 H LYS 12 H LYS 12 -3.834 -2.142 -9.241 76 HA LYS 12 HA LYS 12 -3.494 -4.440 -11.083 77 1HB LYS 12 HB1 LYS 12 -3.418 -4.583 -8.035 78 2HB LYS 12 HB2 LYS 12 -3.675 -5.968 -9.111 79 1HG LYS 12 HG1 LYS 12 -1.462 -5.631 -10.141 80 2HG LYS 12 HG2 LYS 12 -1.194 -4.196 -9.147 81 1HD LYS 12 HD1 LYS 12 0.017 -6.004 -8.175 82 2HD LYS 12 HD2 LYS 12 -1.311 -5.567 -7.088 83 1HE LYS 12 HE1 LYS 12 -2.614 -7.520 -7.858 84 2HE LYS 12 HE2 LYS 12 -1.369 -7.898 -9.067 85 1HZ LYS 12 HZ1 LYS 12 -1.005 -7.921 -6.154 86 2HZ LYS 12 HZ2 LYS 12 -1.177 -9.244 -7.120 87 3HZ LYS 12 HZ3 LYS 12 0.153 -8.283 -7.270 88 1HN NH2 13 HN1 NH2 13 -6.961 -5.062 -10.735 89 2HN NH2 13 HN2 NH2 13 -5.424 -5.657 -11.326 Start of MODEL 2 1 1H SER 1 H1 SER 1 -8.920 0.711 -8.155 2 2H SER 1 H2 SER 1 -7.720 1.300 -9.121 3 3H SER 1 H3 SER 1 -7.809 -0.317 -8.816 4 HA SER 1 HA SER 1 -7.263 1.782 -6.863 5 1HB SER 1 HB1 SER 1 -7.306 -1.245 -6.509 6 2HB SER 1 HB2 SER 1 -6.814 -0.060 -5.279 7 HG SER 1 HG SER 1 -9.366 -0.288 -6.498 8 H CYS 2 H CYS 2 -5.118 2.191 -6.398 9 HA CYS 2 HA CYS 2 -3.008 0.548 -7.635 10 1HB CYS 2 HB1 CYS 2 -3.155 3.558 -7.976 11 2HB CYS 2 HB2 CYS 2 -1.954 2.470 -8.679 12 H HIS 3 H HIS 3 -0.845 1.231 -6.886 13 HA HIS 3 HA HIS 3 -0.638 2.642 -4.339 14 1HB HIS 3 HB1 HIS 3 0.060 0.718 -3.065 15 2HB HIS 3 HB2 HIS 3 -1.547 0.384 -3.707 16 HD2 HIS 3 HD2 HIS 3 1.622 -1.451 -3.264 17 HE1 HIS 3 HE1 HIS 3 0.062 -3.017 -6.868 18 HE2 HIS 3 HE2 HIS 3 1.808 -3.364 -5.038 19 H PHE 4 H PHE 4 1.730 2.489 -3.576 20 HA PHE 4 HA PHE 4 3.519 2.641 -5.906 21 1HB PHE 4 HB1 PHE 4 3.677 4.275 -4.048 22 2HB PHE 4 HB2 PHE 4 4.147 2.969 -2.959 23 HD1 PHE 4 HD1 PHE 4 5.113 4.844 -6.047 24 HD2 PHE 4 HD2 PHE 4 6.419 2.072 -3.012 25 HE1 PHE 4 HE1 PHE 4 7.422 4.949 -6.940 26 HE2 PHE 4 HE2 PHE 4 8.720 2.161 -3.928 27 HZ PHE 4 HZ PHE 4 9.224 3.587 -5.900 28 H GLY 5 H GLY 5 5.143 1.172 -6.380 29 1HA GLY 5 HA1 GLY 5 5.567 -1.227 -4.718 30 2HA GLY 5 HA2 GLY 5 4.801 -1.440 -6.307 31 HA PRO 6 HA PRO 6 9.490 -1.484 -6.587 32 1HB PRO 6 HB1 PRO 6 9.774 -3.714 -8.176 33 2HB PRO 6 HB2 PRO 6 9.591 -3.766 -6.400 34 1HG PRO 6 HG1 PRO 6 7.424 -4.120 -8.483 35 2HG PRO 6 HG2 PRO 6 7.765 -5.157 -7.067 36 1HD PRO 6 HD1 PRO 6 5.839 -3.266 -7.001 37 2HD PRO 6 HD2 PRO 6 6.873 -3.532 -5.567 38 H LEU 7 H LEU 7 7.005 -1.858 -9.132 39 HA LEU 7 HA LEU 7 8.772 -0.521 -11.134 40 1HB LEU 7 HB1 LEU 7 6.072 -1.880 -11.445 41 2HB LEU 7 HB2 LEU 7 7.088 -1.241 -12.745 42 HG LEU 7 HG LEU 7 7.786 -3.576 -10.903 43 1HD1 LEU 7 HD11 LEU 7 5.997 -4.070 -12.528 44 2HD1 LEU 7 HD12 LEU 7 7.033 -3.495 -13.852 45 3HD1 LEU 7 HD13 LEU 7 7.490 -4.939 -12.924 46 1HD2 LEU 7 HD21 LEU 7 9.306 -2.378 -13.263 47 2HD2 LEU 7 HD22 LEU 7 9.857 -2.454 -11.573 48 3HD2 LEU 7 HD23 LEU 7 9.675 -3.941 -12.506 49 H GLY 8 H GLY 8 8.408 1.244 -9.334 50 1HA GLY 8 HA1 GLY 8 7.677 3.362 -8.935 51 2HA GLY 8 HA2 GLY 8 7.013 3.361 -10.578 52 H TRP 9 H TRP 9 4.920 4.030 -10.442 53 HA TRP 9 HA TRP 9 3.200 3.285 -8.174 54 1HB TRP 9 HB1 TRP 9 3.194 5.562 -9.123 55 2HB TRP 9 HB2 TRP 9 2.607 4.922 -10.657 56 HD1 TRP 9 HD1 TRP 9 0.047 4.785 -10.878 57 HE1 TRP 9 HE1 TRP 9 -1.980 5.081 -9.304 58 HE3 TRP 9 HE3 TRP 9 2.505 5.078 -6.394 59 HZ2 TRP 9 HZ2 TRP 9 -2.462 5.372 -6.497 60 HZ3 TRP 9 HZ3 TRP 9 1.230 5.356 -4.291 61 HH2 TRP 9 HH2 TRP 9 -1.248 5.491 -4.329 62 H VAL 10 H VAL 10 2.367 1.281 -8.216 63 HA VAL 10 HA VAL 10 1.915 -0.128 -10.791 64 HB VAL 10 HB VAL 10 2.104 -1.126 -7.919 65 1HG1 VAL 10 HG11 VAL 10 1.911 -2.648 -10.560 66 2HG1 VAL 10 HG12 VAL 10 2.214 -3.373 -8.968 67 3HG1 VAL 10 HG13 VAL 10 0.662 -2.596 -9.299 68 1HG2 VAL 10 HG21 VAL 10 4.067 -1.248 -10.247 69 2HG2 VAL 10 HG22 VAL 10 4.289 -0.352 -8.730 70 3HG2 VAL 10 HG23 VAL 10 4.257 -2.119 -8.713 71 H CYS 11 H CYS 11 -0.132 -0.369 -11.517 72 HA CYS 11 HA CYS 11 -2.414 0.146 -9.681 73 1HB CYS 11 HB1 CYS 11 -2.111 0.294 -12.670 74 2HB CYS 11 HB2 CYS 11 -3.689 0.192 -11.883 75 H LYS 12 H LYS 12 -3.811 -1.371 -9.143 76 HA LYS 12 HA LYS 12 -3.034 -4.159 -9.645 77 1HB LYS 12 HB1 LYS 12 -5.023 -2.843 -7.762 78 2HB LYS 12 HB2 LYS 12 -4.646 -4.574 -7.789 79 1HG LYS 12 HG1 LYS 12 -2.335 -4.179 -7.227 80 2HG LYS 12 HG2 LYS 12 -2.520 -2.425 -7.337 81 1HD LYS 12 HD1 LYS 12 -4.054 -4.129 -5.333 82 2HD LYS 12 HD2 LYS 12 -2.477 -3.391 -5.004 83 1HE LYS 12 HE1 LYS 12 -3.427 -1.137 -5.528 84 2HE LYS 12 HE2 LYS 12 -5.026 -1.882 -5.714 85 1HZ LYS 12 HZ1 LYS 12 -3.390 -1.917 -3.285 86 2HZ LYS 12 HZ2 LYS 12 -4.716 -0.973 -3.551 87 3HZ LYS 12 HZ3 LYS 12 -4.877 -2.612 -3.454 88 1HN NH2 13 HN1 NH2 13 -5.419 -4.097 -12.379 89 2HN NH2 13 HN2 NH2 13 -3.752 -3.691 -12.008 Start of MODEL 3 1 1H SER 1 H1 SER 1 -7.974 1.557 -5.133 2 2H SER 1 H2 SER 1 -8.912 2.699 -5.873 3 3H SER 1 H3 SER 1 -8.310 1.432 -6.742 4 HA SER 1 HA SER 1 -7.105 3.389 -7.234 5 1HB SER 1 HB1 SER 1 -6.456 3.407 -4.254 6 2HB SER 1 HB2 SER 1 -5.771 4.499 -5.473 7 HG SER 1 HG SER 1 -8.502 4.268 -4.741 8 H CYS 2 H CYS 2 -4.789 3.409 -7.587 9 HA CYS 2 HA CYS 2 -3.531 0.750 -7.413 10 1HB CYS 2 HB1 CYS 2 -2.619 3.338 -8.693 11 2HB CYS 2 HB2 CYS 2 -1.835 1.774 -8.867 12 H HIS 3 H HIS 3 -0.904 1.206 -7.027 13 HA HIS 3 HA HIS 3 -0.589 2.565 -4.402 14 1HB HIS 3 HB1 HIS 3 0.196 0.434 -3.422 15 2HB HIS 3 HB2 HIS 3 -1.498 0.350 -3.906 16 HD2 HIS 3 HD2 HIS 3 1.972 -1.163 -4.937 17 HE1 HIS 3 HE1 HIS 3 -1.048 -3.158 -7.116 18 HE2 HIS 3 HE2 HIS 3 1.442 -3.133 -6.572 19 H PHE 4 H PHE 4 1.701 2.307 -3.603 20 HA PHE 4 HA PHE 4 3.637 2.628 -5.814 21 1HB PHE 4 HB1 PHE 4 3.897 2.912 -2.804 22 2HB PHE 4 HB2 PHE 4 5.216 3.113 -3.954 23 HD1 PHE 4 HD1 PHE 4 5.011 4.879 -5.801 24 HD2 PHE 4 HD2 PHE 4 2.426 4.773 -2.348 25 HE1 PHE 4 HE1 PHE 4 4.348 7.233 -6.218 26 HE2 PHE 4 HE2 PHE 4 1.783 7.131 -2.762 27 HZ PHE 4 HZ PHE 4 2.729 8.359 -4.705 28 H GLY 5 H GLY 5 4.766 0.935 -6.554 29 1HA GLY 5 HA1 GLY 5 5.395 -1.390 -4.811 30 2HA GLY 5 HA2 GLY 5 4.543 -1.632 -6.350 31 HA PRO 6 HA PRO 6 9.180 -2.090 -6.810 32 1HB PRO 6 HB1 PRO 6 8.031 -3.857 -8.991 33 2HB PRO 6 HB2 PRO 6 9.520 -4.100 -8.029 34 1HG PRO 6 HG1 PRO 6 7.259 -5.392 -7.312 35 2HG PRO 6 HG2 PRO 6 8.222 -4.563 -6.051 36 1HD PRO 6 HD1 PRO 6 5.713 -3.582 -7.427 37 2HD PRO 6 HD2 PRO 6 6.144 -3.531 -5.693 38 H LEU 7 H LEU 7 6.857 -1.756 -9.553 39 HA LEU 7 HA LEU 7 8.840 -0.117 -11.060 40 1HB LEU 7 HB1 LEU 7 6.193 -1.320 -11.939 41 2HB LEU 7 HB2 LEU 7 7.389 -0.517 -12.964 42 HG LEU 7 HG LEU 7 7.778 -3.149 -11.462 43 1HD1 LEU 7 HD11 LEU 7 6.241 -3.293 -13.385 44 2HD1 LEU 7 HD12 LEU 7 7.470 -2.549 -14.431 45 3HD1 LEU 7 HD13 LEU 7 7.762 -4.145 -13.705 46 1HD2 LEU 7 HD21 LEU 7 9.649 -1.641 -13.346 47 2HD2 LEU 7 HD22 LEU 7 9.944 -2.013 -11.631 48 3HD2 LEU 7 HD23 LEU 7 9.878 -3.320 -12.815 49 H GLY 8 H GLY 8 8.291 1.357 -9.074 50 1HA GLY 8 HA1 GLY 8 7.574 3.429 -8.468 51 2HA GLY 8 HA2 GLY 8 7.072 3.674 -10.148 52 H TRP 9 H TRP 9 4.923 4.050 -10.394 53 HA TRP 9 HA TRP 9 3.029 3.446 -8.223 54 1HB TRP 9 HB1 TRP 9 3.106 5.657 -9.276 55 2HB TRP 9 HB2 TRP 9 2.705 4.948 -10.837 56 HD1 TRP 9 HD1 TRP 9 0.248 5.161 -11.409 57 HE1 TRP 9 HE1 TRP 9 -1.969 5.538 -10.140 58 HE3 TRP 9 HE3 TRP 9 1.973 4.869 -6.593 59 HZ2 TRP 9 HZ2 TRP 9 -2.854 5.731 -7.432 60 HZ3 TRP 9 HZ3 TRP 9 0.404 5.117 -4.695 61 HH2 TRP 9 HH2 TRP 9 -1.998 5.573 -5.099 62 H VAL 10 H VAL 10 2.592 1.293 -8.242 63 HA VAL 10 HA VAL 10 2.097 -0.145 -10.793 64 HB VAL 10 HB VAL 10 2.640 -1.113 -7.956 65 1HG1 VAL 10 HG11 VAL 10 2.332 -2.670 -10.564 66 2HG1 VAL 10 HG12 VAL 10 2.902 -3.347 -9.025 67 3HG1 VAL 10 HG13 VAL 10 1.245 -2.754 -9.160 68 1HG2 VAL 10 HG21 VAL 10 4.368 -1.055 -10.465 69 2HG2 VAL 10 HG22 VAL 10 4.645 -0.128 -8.975 70 3HG2 VAL 10 HG23 VAL 10 4.794 -1.889 -8.958 71 H CYS 11 H CYS 11 0.096 -0.850 -11.305 72 HA CYS 11 HA CYS 11 -2.157 -0.456 -9.389 73 1HB CYS 11 HB1 CYS 11 -2.021 -0.811 -12.400 74 2HB CYS 11 HB2 CYS 11 -3.523 -0.789 -11.475 75 H LYS 12 H LYS 12 -3.458 -2.125 -8.817 76 HA LYS 12 HA LYS 12 -2.328 -4.790 -8.964 77 1HB LYS 12 HB1 LYS 12 -3.918 -5.408 -7.372 78 2HB LYS 12 HB2 LYS 12 -3.409 -3.785 -6.920 79 1HG LYS 12 HG1 LYS 12 -6.029 -4.560 -8.296 80 2HG LYS 12 HG2 LYS 12 -5.796 -4.132 -6.602 81 1HD LYS 12 HD1 LYS 12 -5.038 -1.840 -7.319 82 2HD LYS 12 HD2 LYS 12 -5.484 -2.272 -8.992 83 1HE LYS 12 HE1 LYS 12 -7.802 -2.710 -8.274 84 2HE LYS 12 HE2 LYS 12 -7.375 -2.260 -6.609 85 1HZ LYS 12 HZ1 LYS 12 -7.190 -0.501 -8.949 86 2HZ LYS 12 HZ2 LYS 12 -8.369 -0.458 -7.795 87 3HZ LYS 12 HZ3 LYS 12 -6.810 -0.096 -7.394 88 1HN NH2 13 HN1 NH2 13 -4.692 -6.579 -10.985 89 2HN NH2 13 HN2 NH2 13 -3.650 -6.714 -9.583 Start of MODEL 4 1 1H SER 1 H1 SER 1 -6.725 3.265 -8.101 2 2H SER 1 H2 SER 1 -7.325 2.086 -9.088 3 3H SER 1 H3 SER 1 -8.228 2.641 -7.825 4 HA SER 1 HA SER 1 -6.704 1.773 -6.251 5 1HB SER 1 HB1 SER 1 -7.107 -0.642 -6.659 6 2HB SER 1 HB2 SER 1 -8.557 0.352 -6.886 7 HG SER 1 HG SER 1 -6.834 -0.535 -8.953 8 H CYS 2 H CYS 2 -4.609 2.701 -6.593 9 HA CYS 2 HA CYS 2 -2.688 0.761 -7.686 10 1HB CYS 2 HB1 CYS 2 -2.437 3.740 -8.229 11 2HB CYS 2 HB2 CYS 2 -1.435 2.451 -8.891 12 H HIS 3 H HIS 3 -0.479 1.207 -6.982 13 HA HIS 3 HA HIS 3 -0.198 2.609 -4.398 14 1HB HIS 3 HB1 HIS 3 0.497 0.514 -3.291 15 2HB HIS 3 HB2 HIS 3 -1.190 0.436 -3.804 16 HD2 HIS 3 HD2 HIS 3 2.251 -1.241 -4.588 17 HE1 HIS 3 HE1 HIS 3 -0.702 -3.158 -6.934 18 HE2 HIS 3 HE2 HIS 3 1.747 -3.231 -6.215 19 H PHE 4 H PHE 4 2.046 2.664 -3.709 20 HA PHE 4 HA PHE 4 3.971 2.723 -5.889 21 1HB PHE 4 HB1 PHE 4 4.226 3.132 -2.898 22 2HB PHE 4 HB2 PHE 4 5.572 3.229 -4.027 23 HD1 PHE 4 HD1 PHE 4 5.375 4.850 -6.043 24 HD2 PHE 4 HD2 PHE 4 2.921 5.115 -2.504 25 HE1 PHE 4 HE1 PHE 4 5.029 7.269 -6.460 26 HE2 PHE 4 HE2 PHE 4 2.590 7.535 -2.922 27 HZ PHE 4 HZ PHE 4 3.679 8.625 -4.873 28 H GLY 5 H GLY 5 4.144 0.674 -6.711 29 1HA GLY 5 HA1 GLY 5 5.016 -1.605 -5.006 30 2HA GLY 5 HA2 GLY 5 4.502 -1.623 -6.702 31 HA PRO 6 HA PRO 6 9.196 -1.597 -6.433 32 1HB PRO 6 HB1 PRO 6 9.670 -3.586 -8.284 33 2HB PRO 6 HB2 PRO 6 9.361 -3.876 -6.549 34 1HG PRO 6 HG1 PRO 6 7.363 -3.999 -8.819 35 2HG PRO 6 HG2 PRO 6 7.630 -5.202 -7.525 36 1HD PRO 6 HD1 PRO 6 5.646 -3.388 -7.356 37 2HD PRO 6 HD2 PRO 6 6.595 -3.793 -5.898 38 H LEU 7 H LEU 7 6.985 -1.711 -9.251 39 HA LEU 7 HA LEU 7 8.872 -0.052 -10.861 40 1HB LEU 7 HB1 LEU 7 6.302 -1.462 -11.652 41 2HB LEU 7 HB2 LEU 7 7.440 -0.648 -12.735 42 HG LEU 7 HG LEU 7 8.010 -3.161 -11.093 43 1HD1 LEU 7 HD11 LEU 7 6.458 -3.514 -12.975 44 2HD1 LEU 7 HD12 LEU 7 7.621 -2.754 -14.085 45 3HD1 LEU 7 HD13 LEU 7 8.027 -4.283 -13.275 46 1HD2 LEU 7 HD21 LEU 7 9.753 -1.650 -13.093 47 2HD2 LEU 7 HD22 LEU 7 10.094 -1.897 -11.364 48 3HD2 LEU 7 HD23 LEU 7 10.098 -3.276 -12.466 49 H GLY 8 H GLY 8 8.005 1.364 -8.759 50 1HA GLY 8 HA1 GLY 8 7.110 3.406 -8.265 51 2HA GLY 8 HA2 GLY 8 6.787 3.621 -9.996 52 H TRP 9 H TRP 9 4.648 4.279 -10.074 53 HA TRP 9 HA TRP 9 2.579 3.240 -8.347 54 1HB TRP 9 HB1 TRP 9 2.575 4.897 -10.878 55 2HB TRP 9 HB2 TRP 9 1.093 4.307 -10.129 56 HD1 TRP 9 HD1 TRP 9 3.374 7.178 -9.959 57 HE1 TRP 9 HE1 TRP 9 2.730 8.721 -7.985 58 HE3 TRP 9 HE3 TRP 9 0.255 4.018 -7.412 59 HZ2 TRP 9 HZ2 TRP 9 1.051 8.615 -5.677 60 HZ3 TRP 9 HZ3 TRP 9 -0.846 4.771 -5.321 61 HH2 TRP 9 HH2 TRP 9 -0.451 7.055 -4.445 62 H VAL 10 H VAL 10 2.358 1.083 -8.406 63 HA VAL 10 HA VAL 10 1.871 -0.332 -10.983 64 HB VAL 10 HB VAL 10 2.427 -1.311 -8.151 65 1HG1 VAL 10 HG11 VAL 10 1.863 -2.898 -10.697 66 2HG1 VAL 10 HG12 VAL 10 2.452 -3.583 -9.168 67 3HG1 VAL 10 HG13 VAL 10 0.844 -2.857 -9.242 68 1HG2 VAL 10 HG21 VAL 10 4.022 -1.487 -10.748 69 2HG2 VAL 10 HG22 VAL 10 4.440 -0.497 -9.336 70 3HG2 VAL 10 HG23 VAL 10 4.474 -2.260 -9.217 71 H CYS 11 H CYS 11 -0.198 -0.679 -11.530 72 HA CYS 11 HA CYS 11 -2.345 0.002 -9.610 73 1HB CYS 11 HB1 CYS 11 -2.253 -0.139 -12.615 74 2HB CYS 11 HB2 CYS 11 -3.732 0.114 -11.680 75 H LYS 12 H LYS 12 -3.921 -1.353 -9.036 76 HA LYS 12 HA LYS 12 -4.292 -3.964 -10.261 77 1HB LYS 12 HB1 LYS 12 -2.363 -4.392 -8.770 78 2HB LYS 12 HB2 LYS 12 -3.237 -3.685 -7.409 79 1HG LYS 12 HG1 LYS 12 -3.267 -6.100 -7.279 80 2HG LYS 12 HG2 LYS 12 -4.913 -5.508 -7.526 81 1HD LYS 12 HD1 LYS 12 -4.811 -6.144 -9.914 82 2HD LYS 12 HD2 LYS 12 -3.094 -6.558 -9.746 83 1HE LYS 12 HE1 LYS 12 -4.438 -8.584 -9.742 84 2HE LYS 12 HE2 LYS 12 -3.699 -8.366 -8.146 85 1HZ LYS 12 HZ1 LYS 12 -6.459 -7.668 -8.872 86 2HZ LYS 12 HZ2 LYS 12 -5.994 -8.995 -8.010 87 3HZ LYS 12 HZ3 LYS 12 -5.783 -7.488 -7.379 88 1HN NH2 13 HN1 NH2 13 -7.537 -2.843 -9.370 89 2HN NH2 13 HN2 NH2 13 -6.400 -3.182 -10.659 Start of MODEL 5 1 1H SER 1 H1 SER 1 -6.829 -0.650 -8.728 2 2H SER 1 H2 SER 1 -6.657 -1.199 -7.185 3 3H SER 1 H3 SER 1 -8.009 -0.349 -7.613 4 HA SER 1 HA SER 1 -6.720 1.591 -8.034 5 1HB SER 1 HB1 SER 1 -7.726 1.257 -5.803 6 2HB SER 1 HB2 SER 1 -6.262 0.417 -5.255 7 HG SER 1 HG SER 1 -5.114 2.339 -5.542 8 H CYS 2 H CYS 2 -4.706 2.704 -7.877 9 HA CYS 2 HA CYS 2 -2.302 1.003 -8.124 10 1HB CYS 2 HB1 CYS 2 -2.901 3.853 -8.828 11 2HB CYS 2 HB2 CYS 2 -1.246 3.308 -8.536 12 H HIS 3 H HIS 3 -0.435 1.473 -7.005 13 HA HIS 3 HA HIS 3 -0.479 2.781 -4.392 14 1HB HIS 3 HB1 HIS 3 -0.013 0.609 -3.241 15 2HB HIS 3 HB2 HIS 3 -1.654 0.696 -3.885 16 HD2 HIS 3 HD2 HIS 3 1.722 -1.195 -4.590 17 HE1 HIS 3 HE1 HIS 3 -1.287 -2.912 -7.001 18 HE2 HIS 3 HE2 HIS 3 1.139 -3.122 -6.257 19 H PHE 4 H PHE 4 1.774 2.595 -3.442 20 HA PHE 4 HA PHE 4 3.759 2.689 -5.549 21 1HB PHE 4 HB1 PHE 4 3.941 4.124 -3.580 22 2HB PHE 4 HB2 PHE 4 4.125 2.708 -2.541 23 HD1 PHE 4 HD1 PHE 4 5.656 4.538 -5.435 24 HD2 PHE 4 HD2 PHE 4 6.268 1.591 -2.345 25 HE1 PHE 4 HE1 PHE 4 8.031 4.317 -6.110 26 HE2 PHE 4 HE2 PHE 4 8.637 1.366 -3.035 27 HZ PHE 4 HZ PHE 4 9.519 2.716 -4.926 28 H GLY 5 H GLY 5 5.007 1.062 -6.301 29 1HA GLY 5 HA1 GLY 5 5.481 -1.398 -4.757 30 2HA GLY 5 HA2 GLY 5 4.560 -1.544 -6.273 31 HA PRO 6 HA PRO 6 9.175 -2.105 -6.908 32 1HB PRO 6 HB1 PRO 6 7.920 -3.852 -9.046 33 2HB PRO 6 HB2 PRO 6 9.432 -4.122 -8.131 34 1HG PRO 6 HG1 PRO 6 7.169 -5.376 -7.352 35 2HG PRO 6 HG2 PRO 6 8.187 -4.573 -6.117 36 1HD PRO 6 HD1 PRO 6 5.660 -3.528 -7.414 37 2HD PRO 6 HD2 PRO 6 6.137 -3.509 -5.692 38 H LEU 7 H LEU 7 6.743 -1.758 -9.554 39 HA LEU 7 HA LEU 7 8.669 -0.121 -11.135 40 1HB LEU 7 HB1 LEU 7 5.992 -1.324 -11.917 41 2HB LEU 7 HB2 LEU 7 7.148 -0.518 -12.985 42 HG LEU 7 HG LEU 7 7.596 -3.152 -11.502 43 1HD1 LEU 7 HD11 LEU 7 5.986 -3.295 -13.365 44 2HD1 LEU 7 HD12 LEU 7 7.174 -2.549 -14.457 45 3HD1 LEU 7 HD13 LEU 7 7.495 -4.145 -13.744 46 1HD2 LEU 7 HD21 LEU 7 9.392 -1.640 -13.454 47 2HD2 LEU 7 HD22 LEU 7 9.753 -2.014 -11.752 48 3HD2 LEU 7 HD23 LEU 7 9.642 -3.320 -12.934 49 H GLY 8 H GLY 8 8.146 1.309 -9.075 50 1HA GLY 8 HA1 GLY 8 7.485 3.392 -8.459 51 2HA GLY 8 HA2 GLY 8 6.930 3.650 -10.119 52 H TRP 9 H TRP 9 4.766 3.904 -10.384 53 HA TRP 9 HA TRP 9 2.953 3.421 -8.094 54 1HB TRP 9 HB1 TRP 9 3.223 5.666 -9.137 55 2HB TRP 9 HB2 TRP 9 2.561 5.033 -10.637 56 HD1 TRP 9 HD1 TRP 9 0.127 5.693 -10.884 57 HE1 TRP 9 HE1 TRP 9 -1.864 6.243 -9.333 58 HE3 TRP 9 HE3 TRP 9 2.344 4.856 -6.333 59 HZ2 TRP 9 HZ2 TRP 9 -2.429 6.256 -6.536 60 HZ3 TRP 9 HZ3 TRP 9 1.048 5.151 -4.252 61 HH2 TRP 9 HH2 TRP 9 -1.341 5.821 -4.337 62 H VAL 10 H VAL 10 2.479 1.264 -8.202 63 HA VAL 10 HA VAL 10 1.880 -0.028 -10.798 64 HB VAL 10 HB VAL 10 2.426 -1.145 -8.010 65 1HG1 VAL 10 HG11 VAL 10 2.181 -2.540 -10.712 66 2HG1 VAL 10 HG12 VAL 10 2.754 -3.302 -9.214 67 3HG1 VAL 10 HG13 VAL 10 1.087 -2.733 -9.324 68 1HG2 VAL 10 HG21 VAL 10 4.206 -0.902 -10.463 69 2HG2 VAL 10 HG22 VAL 10 4.434 -0.070 -8.909 70 3HG2 VAL 10 HG23 VAL 10 4.610 -1.826 -9.001 71 H CYS 11 H CYS 11 -0.148 -0.697 -11.311 72 HA CYS 11 HA CYS 11 -2.330 -0.706 -9.265 73 1HB CYS 11 HB1 CYS 11 -2.276 -0.391 -12.261 74 2HB CYS 11 HB2 CYS 11 -3.681 -1.086 -11.466 75 H LYS 12 H LYS 12 -3.335 -2.494 -8.735 76 HA LYS 12 HA LYS 12 -2.169 -5.082 -9.492 77 1HB LYS 12 HB1 LYS 12 -3.835 -5.954 -7.829 78 2HB LYS 12 HB2 LYS 12 -2.591 -4.880 -7.200 79 1HG LYS 12 HG1 LYS 12 -4.133 -3.025 -7.018 80 2HG LYS 12 HG2 LYS 12 -5.405 -3.927 -7.869 81 1HD LYS 12 HD1 LYS 12 -5.488 -5.556 -6.009 82 2HD LYS 12 HD2 LYS 12 -4.136 -4.729 -5.213 83 1HE LYS 12 HE1 LYS 12 -6.220 -4.056 -4.159 84 2HE LYS 12 HE2 LYS 12 -5.513 -2.668 -5.004 85 1HZ LYS 12 HZ1 LYS 12 -7.681 -4.375 -6.013 86 2HZ LYS 12 HZ2 LYS 12 -7.858 -2.864 -5.378 87 3HZ LYS 12 HZ3 LYS 12 -7.043 -3.072 -6.795 88 1HN NH2 13 HN1 NH2 13 -4.420 -5.061 -12.324 89 2HN NH2 13 HN2 NH2 13 -2.858 -4.438 -11.818 Start of MODEL 6 1 1H SER 1 H1 SER 1 -5.995 -0.551 -5.552 2 2H SER 1 H2 SER 1 -6.314 -2.165 -5.450 3 3H SER 1 H3 SER 1 -4.892 -1.568 -4.865 4 HA SER 1 HA SER 1 -4.564 -2.692 -6.924 5 1HB SER 1 HB1 SER 1 -5.505 -1.657 -8.999 6 2HB SER 1 HB2 SER 1 -6.726 -2.375 -7.931 7 HG SER 1 HG SER 1 -7.339 -0.302 -8.667 8 H CYS 2 H CYS 2 -5.071 0.840 -7.127 9 HA CYS 2 HA CYS 2 -2.360 1.361 -8.108 10 1HB CYS 2 HB1 CYS 2 -4.681 3.147 -7.438 11 2HB CYS 2 HB2 CYS 2 -3.147 3.676 -8.124 12 H HIS 3 H HIS 3 -0.852 0.901 -6.651 13 HA HIS 3 HA HIS 3 -0.608 2.710 -4.319 14 1HB HIS 3 HB1 HIS 3 0.136 0.919 -2.899 15 2HB HIS 3 HB2 HIS 3 -1.452 0.469 -3.525 16 HD2 HIS 3 HD2 HIS 3 1.873 -1.135 -3.005 17 HE1 HIS 3 HE1 HIS 3 0.275 -3.118 -6.382 18 HE2 HIS 3 HE2 HIS 3 2.117 -3.186 -4.610 19 H PHE 4 H PHE 4 1.767 2.749 -3.612 20 HA PHE 4 HA PHE 4 3.518 2.735 -5.964 21 1HB PHE 4 HB1 PHE 4 3.653 4.484 -4.189 22 2HB PHE 4 HB2 PHE 4 4.225 3.254 -3.062 23 HD1 PHE 4 HD1 PHE 4 6.479 2.211 -3.382 24 HD2 PHE 4 HD2 PHE 4 5.038 5.281 -6.050 25 HE1 PHE 4 HE1 PHE 4 8.723 2.371 -4.420 26 HE2 PHE 4 HE2 PHE 4 7.296 5.467 -7.049 27 HZ PHE 4 HZ PHE 4 9.137 3.997 -6.253 28 H GLY 5 H GLY 5 4.977 1.139 -6.479 29 1HA GLY 5 HA1 GLY 5 5.589 -1.040 -4.582 30 2HA GLY 5 HA2 GLY 5 4.677 -1.449 -6.050 31 HA PRO 6 HA PRO 6 9.276 -1.957 -6.684 32 1HB PRO 6 HB1 PRO 6 8.052 -3.936 -8.626 33 2HB PRO 6 HB2 PRO 6 9.562 -4.090 -7.681 34 1HG PRO 6 HG1 PRO 6 7.312 -5.291 -6.788 35 2HG PRO 6 HG2 PRO 6 8.312 -4.352 -5.637 36 1HD PRO 6 HD1 PRO 6 5.782 -3.476 -7.051 37 2HD PRO 6 HD2 PRO 6 6.241 -3.282 -5.333 38 H LEU 7 H LEU 7 6.769 -1.818 -9.267 39 HA LEU 7 HA LEU 7 8.693 -0.496 -11.119 40 1HB LEU 7 HB1 LEU 7 5.905 -1.601 -11.604 41 2HB LEU 7 HB2 LEU 7 7.041 -1.012 -12.826 42 HG LEU 7 HG LEU 7 7.412 -3.472 -11.052 43 1HD1 LEU 7 HD11 LEU 7 5.692 -3.726 -12.801 44 2HD1 LEU 7 HD12 LEU 7 6.858 -3.200 -14.034 45 3HD1 LEU 7 HD13 LEU 7 7.119 -4.718 -13.147 46 1HD2 LEU 7 HD21 LEU 7 9.183 -2.333 -13.263 47 2HD2 LEU 7 HD22 LEU 7 9.618 -2.523 -11.548 48 3HD2 LEU 7 HD23 LEU 7 9.358 -3.951 -12.553 49 H GLY 8 H GLY 8 8.392 1.225 -9.256 50 1HA GLY 8 HA1 GLY 8 7.796 3.372 -8.791 51 2HA GLY 8 HA2 GLY 8 7.167 3.492 -10.443 52 H TRP 9 H TRP 9 5.010 3.915 -10.553 53 HA TRP 9 HA TRP 9 3.239 3.306 -8.266 54 1HB TRP 9 HB1 TRP 9 3.197 5.526 -9.400 55 2HB TRP 9 HB2 TRP 9 2.614 4.734 -10.865 56 HD1 TRP 9 HD1 TRP 9 0.054 4.580 -11.039 57 HE1 TRP 9 HE1 TRP 9 -1.956 4.918 -9.451 58 HE3 TRP 9 HE3 TRP 9 2.569 5.125 -6.612 59 HZ2 TRP 9 HZ2 TRP 9 -2.400 5.372 -6.655 60 HZ3 TRP 9 HZ3 TRP 9 1.320 5.479 -4.503 61 HH2 TRP 9 HH2 TRP 9 -1.159 5.595 -4.514 62 H VAL 10 H VAL 10 1.944 1.565 -8.265 63 HA VAL 10 HA VAL 10 1.832 -0.189 -10.685 64 HB VAL 10 HB VAL 10 2.143 -0.925 -7.743 65 1HG1 VAL 10 HG11 VAL 10 2.055 -2.663 -10.251 66 2HG1 VAL 10 HG12 VAL 10 2.425 -3.229 -8.609 67 3HG1 VAL 10 HG13 VAL 10 0.814 -2.608 -8.981 68 1HG2 VAL 10 HG21 VAL 10 4.094 -1.052 -10.080 69 2HG2 VAL 10 HG22 VAL 10 4.252 -0.050 -8.623 70 3HG2 VAL 10 HG23 VAL 10 4.360 -1.808 -8.498 71 H CYS 11 H CYS 11 -0.207 -0.059 -11.427 72 HA CYS 11 HA CYS 11 -2.540 -0.109 -9.558 73 1HB CYS 11 HB1 CYS 11 -2.251 0.622 -12.459 74 2HB CYS 11 HB2 CYS 11 -3.807 0.348 -11.674 75 H LYS 12 H LYS 12 -2.225 -2.205 -8.879 76 HA LYS 12 HA LYS 12 -2.233 -4.423 -10.777 77 1HB LYS 12 HB1 LYS 12 -1.003 -4.432 -8.619 78 2HB LYS 12 HB2 LYS 12 -2.541 -4.386 -7.745 79 1HG LYS 12 HG1 LYS 12 -3.175 -6.558 -8.816 80 2HG LYS 12 HG2 LYS 12 -1.631 -6.563 -9.691 81 1HD LYS 12 HD1 LYS 12 -0.413 -6.552 -7.520 82 2HD LYS 12 HD2 LYS 12 -1.958 -6.595 -6.653 83 1HE LYS 12 HE1 LYS 12 -0.960 -8.731 -8.598 84 2HE LYS 12 HE2 LYS 12 -0.879 -8.832 -6.831 85 1HZ LYS 12 HZ1 LYS 12 -3.260 -8.705 -6.770 86 2HZ LYS 12 HZ2 LYS 12 -3.338 -8.648 -8.416 87 3HZ LYS 12 HZ3 LYS 12 -2.756 -9.994 -7.665 88 1HN NH2 13 HN1 NH2 13 -5.781 -4.079 -11.246 89 2HN NH2 13 HN2 NH2 13 -4.215 -3.631 -11.901 Start of MODEL 7 1 1H SER 1 H1 SER 1 -6.069 -1.282 -8.311 2 2H SER 1 H2 SER 1 -5.139 -2.636 -8.180 3 3H SER 1 H3 SER 1 -6.531 -2.511 -7.310 4 HA SER 1 HA SER 1 -5.688 -0.695 -6.061 5 1HB SER 1 HB1 SER 1 -3.884 -3.146 -5.994 6 2HB SER 1 HB2 SER 1 -4.066 -1.944 -4.704 7 HG SER 1 HG SER 1 -6.290 -2.504 -4.627 8 H CYS 2 H CYS 2 -4.809 1.149 -6.822 9 HA CYS 2 HA CYS 2 -2.156 1.228 -8.145 10 1HB CYS 2 HB1 CYS 2 -4.199 3.350 -7.511 11 2HB CYS 2 HB2 CYS 2 -2.643 3.612 -8.300 12 H HIS 3 H HIS 3 -0.454 1.086 -6.862 13 HA HIS 3 HA HIS 3 -0.278 2.713 -4.395 14 1HB HIS 3 HB1 HIS 3 0.477 0.732 -3.115 15 2HB HIS 3 HB2 HIS 3 -1.204 0.592 -3.630 16 HD2 HIS 3 HD2 HIS 3 2.316 -0.933 -4.590 17 HE1 HIS 3 HE1 HIS 3 -0.738 -3.372 -6.204 18 HE2 HIS 3 HE2 HIS 3 1.787 -3.140 -5.893 19 H PHE 4 H PHE 4 1.962 2.715 -3.549 20 HA PHE 4 HA PHE 4 3.940 2.928 -5.666 21 1HB PHE 4 HB1 PHE 4 4.202 3.116 -2.646 22 2HB PHE 4 HB2 PHE 4 5.458 3.508 -3.817 23 HD1 PHE 4 HD1 PHE 4 4.876 5.307 -5.636 24 HD2 PHE 4 HD2 PHE 4 2.720 4.839 -1.927 25 HE1 PHE 4 HE1 PHE 4 3.953 7.596 -5.877 26 HE2 PHE 4 HE2 PHE 4 1.824 7.137 -2.163 27 HZ PHE 4 HZ PHE 4 2.424 8.513 -4.145 28 H GLY 5 H GLY 5 4.295 0.947 -6.585 29 1HA GLY 5 HA1 GLY 5 5.036 -1.406 -4.897 30 2HA GLY 5 HA2 GLY 5 4.440 -1.404 -6.564 31 HA PRO 6 HA PRO 6 9.137 -1.665 -6.456 32 1HB PRO 6 HB1 PRO 6 9.425 -3.783 -8.198 33 2HB PRO 6 HB2 PRO 6 9.159 -3.954 -6.440 34 1HG PRO 6 HG1 PRO 6 7.081 -4.085 -8.636 35 2HG PRO 6 HG2 PRO 6 7.319 -5.225 -7.281 36 1HD PRO 6 HD1 PRO 6 5.454 -3.281 -7.162 37 2HD PRO 6 HD2 PRO 6 6.423 -3.666 -5.712 38 H LEU 7 H LEU 7 6.834 -1.849 -9.201 39 HA LEU 7 HA LEU 7 8.738 -0.363 -10.953 40 1HB LEU 7 HB1 LEU 7 6.106 -1.732 -11.599 41 2HB LEU 7 HB2 LEU 7 7.236 -1.011 -12.754 42 HG LEU 7 HG LEU 7 7.784 -3.442 -10.987 43 1HD1 LEU 7 HD11 LEU 7 6.170 -3.858 -12.805 44 2HD1 LEU 7 HD12 LEU 7 7.322 -3.196 -13.986 45 3HD1 LEU 7 HD13 LEU 7 7.708 -4.687 -13.101 46 1HD2 LEU 7 HD21 LEU 7 9.510 -2.097 -13.115 47 2HD2 LEU 7 HD22 LEU 7 9.893 -2.260 -11.385 48 3HD2 LEU 7 HD23 LEU 7 9.827 -3.696 -12.410 49 H GLY 8 H GLY 8 8.024 1.210 -8.947 50 1HA GLY 8 HA1 GLY 8 7.349 3.362 -8.638 51 2HA GLY 8 HA2 GLY 8 6.852 3.414 -10.337 52 H TRP 9 H TRP 9 4.730 3.976 -10.486 53 HA TRP 9 HA TRP 9 2.862 3.417 -8.286 54 1HB TRP 9 HB1 TRP 9 3.043 5.633 -9.377 55 2HB TRP 9 HB2 TRP 9 2.468 4.932 -10.885 56 HD1 TRP 9 HD1 TRP 9 -0.011 5.366 -11.229 57 HE1 TRP 9 HE1 TRP 9 -2.076 5.855 -9.754 58 HE3 TRP 9 HE3 TRP 9 2.119 4.850 -6.594 59 HZ2 TRP 9 HZ2 TRP 9 -2.699 6.033 -6.975 60 HZ3 TRP 9 HZ3 TRP 9 0.747 5.144 -4.560 61 HH2 TRP 9 HH2 TRP 9 -1.652 5.747 -4.733 62 H VAL 10 H VAL 10 2.351 1.283 -8.302 63 HA VAL 10 HA VAL 10 1.869 -0.134 -10.857 64 HB VAL 10 HB VAL 10 2.367 -1.107 -8.017 65 1HG1 VAL 10 HG11 VAL 10 2.050 -2.653 -10.631 66 2HG1 VAL 10 HG12 VAL 10 2.635 -3.331 -9.098 67 3HG1 VAL 10 HG13 VAL 10 0.972 -2.742 -9.219 68 1HG2 VAL 10 HG21 VAL 10 4.093 -1.056 -10.532 69 2HG2 VAL 10 HG22 VAL 10 4.380 -0.136 -9.042 70 3HG2 VAL 10 HG23 VAL 10 4.525 -1.896 -9.030 71 H CYS 11 H CYS 11 -0.159 -0.064 -11.523 72 HA CYS 11 HA CYS 11 -2.480 -0.167 -9.663 73 1HB CYS 11 HB1 CYS 11 -2.174 0.570 -12.565 74 2HB CYS 11 HB2 CYS 11 -3.728 0.384 -11.754 75 H LYS 12 H LYS 12 -2.801 -2.236 -9.085 76 HA LYS 12 HA LYS 12 -2.779 -4.439 -11.041 77 1HB LYS 12 HB1 LYS 12 -3.636 -4.220 -8.129 78 2HB LYS 12 HB2 LYS 12 -3.713 -5.711 -9.070 79 1HG LYS 12 HG1 LYS 12 -1.149 -4.156 -8.514 80 2HG LYS 12 HG2 LYS 12 -1.737 -5.552 -7.596 81 1HD LYS 12 HD1 LYS 12 -1.771 -6.839 -9.828 82 2HD LYS 12 HD2 LYS 12 -0.806 -5.508 -10.493 83 1HE LYS 12 HE1 LYS 12 -0.073 -7.260 -8.100 84 2HE LYS 12 HE2 LYS 12 0.606 -7.382 -9.731 85 1HZ LYS 12 HZ1 LYS 12 1.475 -5.183 -9.477 86 2HZ LYS 12 HZ2 LYS 12 0.852 -5.062 -7.955 87 3HZ LYS 12 HZ3 LYS 12 2.030 -6.169 -8.277 88 1HN NH2 13 HN1 NH2 13 -5.974 -3.290 -12.236 89 2HN NH2 13 HN2 NH2 13 -4.245 -3.121 -12.491 Start of MODEL 8 1 1H SER 1 H1 SER 1 -6.617 -0.159 -6.906 2 2H SER 1 H2 SER 1 -6.357 1.113 -5.889 3 3H SER 1 H3 SER 1 -7.863 0.848 -6.511 4 HA SER 1 HA SER 1 -7.114 1.281 -8.703 5 1HB SER 1 HB1 SER 1 -6.644 3.728 -8.440 6 2HB SER 1 HB2 SER 1 -8.063 3.152 -7.548 7 HG SER 1 HG SER 1 -6.841 3.146 -5.664 8 H CYS 2 H CYS 2 -4.580 2.816 -6.725 9 HA CYS 2 HA CYS 2 -2.431 1.321 -8.108 10 1HB CYS 2 HB1 CYS 2 -2.607 4.337 -7.937 11 2HB CYS 2 HB2 CYS 2 -1.214 3.430 -8.522 12 H HIS 3 H HIS 3 -0.929 0.681 -6.719 13 HA HIS 3 HA HIS 3 -0.526 2.192 -4.171 14 1HB HIS 3 HB1 HIS 3 0.005 0.145 -3.057 15 2HB HIS 3 HB2 HIS 3 -1.605 -0.018 -3.762 16 HD2 HIS 3 HD2 HIS 3 1.926 -1.620 -3.948 17 HE1 HIS 3 HE1 HIS 3 -0.522 -3.602 -6.774 18 HE2 HIS 3 HE2 HIS 3 1.749 -3.642 -5.602 19 H PHE 4 H PHE 4 1.670 2.600 -3.682 20 HA PHE 4 HA PHE 4 3.448 2.491 -5.956 21 1HB PHE 4 HB1 PHE 4 3.386 4.319 -4.227 22 2HB PHE 4 HB2 PHE 4 4.174 3.208 -3.106 23 HD1 PHE 4 HD1 PHE 4 4.508 5.117 -6.276 24 HD2 PHE 4 HD2 PHE 4 6.549 2.562 -3.466 25 HE1 PHE 4 HE1 PHE 4 6.661 5.597 -7.402 26 HE2 PHE 4 HE2 PHE 4 8.692 3.001 -4.632 27 HZ PHE 4 HZ PHE 4 8.754 4.521 -6.596 28 H GLY 5 H GLY 5 5.262 1.198 -6.274 29 1HA GLY 5 HA1 GLY 5 6.090 -0.853 -4.385 30 2HA GLY 5 HA2 GLY 5 5.141 -1.458 -5.765 31 HA PRO 6 HA PRO 6 9.708 -1.474 -6.757 32 1HB PRO 6 HB1 PRO 6 8.578 -3.704 -8.469 33 2HB PRO 6 HB2 PRO 6 10.165 -3.621 -7.650 34 1HG PRO 6 HG1 PRO 6 8.152 -5.015 -6.506 35 2HG PRO 6 HG2 PRO 6 9.120 -3.898 -5.496 36 1HD PRO 6 HD1 PRO 6 6.401 -3.404 -6.735 37 2HD PRO 6 HD2 PRO 6 6.965 -3.057 -5.074 38 H LEU 7 H LEU 7 6.991 -1.813 -9.099 39 HA LEU 7 HA LEU 7 8.555 -0.369 -11.187 40 1HB LEU 7 HB1 LEU 7 5.910 -1.856 -11.354 41 2HB LEU 7 HB2 LEU 7 6.844 -1.198 -12.705 42 HG LEU 7 HG LEU 7 7.700 -3.479 -10.861 43 1HD1 LEU 7 HD11 LEU 7 5.883 -4.058 -12.424 44 2HD1 LEU 7 HD12 LEU 7 6.855 -3.459 -13.786 45 3HD1 LEU 7 HD13 LEU 7 7.396 -4.874 -12.857 46 1HD2 LEU 7 HD21 LEU 7 9.099 -2.251 -13.282 47 2HD2 LEU 7 HD22 LEU 7 9.704 -2.280 -11.608 48 3HD2 LEU 7 HD23 LEU 7 9.554 -3.787 -12.515 49 H GLY 8 H GLY 8 8.190 1.406 -9.394 50 1HA GLY 8 HA1 GLY 8 7.322 3.458 -8.927 51 2HA GLY 8 HA2 GLY 8 6.610 3.435 -10.549 52 H TRP 9 H TRP 9 4.472 3.939 -10.353 53 HA TRP 9 HA TRP 9 2.827 2.967 -8.114 54 1HB TRP 9 HB1 TRP 9 2.269 4.671 -10.550 55 2HB TRP 9 HB2 TRP 9 1.004 4.060 -9.483 56 HD1 TRP 9 HD1 TRP 9 3.553 6.791 -9.700 57 HE1 TRP 9 HE1 TRP 9 3.471 8.270 -7.579 58 HE3 TRP 9 HE3 TRP 9 0.517 3.888 -6.775 59 HZ2 TRP 9 HZ2 TRP 9 2.291 8.177 -4.978 60 HZ3 TRP 9 HZ3 TRP 9 -0.066 4.611 -4.479 61 HH2 TRP 9 HH2 TRP 9 0.824 6.740 -3.567 62 H VAL 10 H VAL 10 2.121 0.969 -8.099 63 HA VAL 10 HA VAL 10 1.888 -0.620 -10.592 64 HB VAL 10 HB VAL 10 1.906 -1.431 -7.654 65 1HG1 VAL 10 HG11 VAL 10 2.045 -3.102 -10.205 66 2HG1 VAL 10 HG12 VAL 10 2.208 -3.717 -8.547 67 3HG1 VAL 10 HG13 VAL 10 0.667 -3.037 -9.086 68 1HG2 VAL 10 HG21 VAL 10 4.082 -1.569 -9.781 69 2HG2 VAL 10 HG22 VAL 10 4.108 -0.570 -8.313 70 3HG2 VAL 10 HG23 VAL 10 4.167 -2.331 -8.180 71 H CYS 11 H CYS 11 -0.066 -0.281 -11.475 72 HA CYS 11 HA CYS 11 -2.466 0.082 -9.775 73 1HB CYS 11 HB1 CYS 11 -1.997 0.646 -12.702 74 2HB CYS 11 HB2 CYS 11 -3.447 1.075 -11.794 75 H LYS 12 H LYS 12 -4.477 -0.846 -10.443 76 HA LYS 12 HA LYS 12 -4.453 -3.142 -12.217 77 1HB LYS 12 HB1 LYS 12 -4.938 -4.841 -10.700 78 2HB LYS 12 HB2 LYS 12 -3.545 -4.034 -10.006 79 1HG LYS 12 HG1 LYS 12 -6.463 -3.845 -9.129 80 2HG LYS 12 HG2 LYS 12 -5.148 -4.654 -8.286 81 1HD LYS 12 HD1 LYS 12 -5.413 -1.644 -8.673 82 2HD LYS 12 HD2 LYS 12 -5.790 -2.549 -7.213 83 1HE LYS 12 HE1 LYS 12 -3.462 -3.242 -6.944 84 2HE LYS 12 HE2 LYS 12 -3.000 -2.421 -8.444 85 1HZ LYS 12 HZ1 LYS 12 -4.116 -1.103 -6.084 86 2HZ LYS 12 HZ2 LYS 12 -2.528 -1.113 -6.536 87 3HZ LYS 12 HZ3 LYS 12 -3.654 -0.369 -7.489 88 1HN NH2 13 HN1 NH2 13 -8.050 -3.050 -12.128 89 2HN NH2 13 HN2 NH2 13 -6.706 -4.160 -12.302 Start of MODEL 9 1 1H SER 1 H1 SER 1 -7.189 4.270 -8.791 2 2H SER 1 H2 SER 1 -5.683 3.891 -9.347 3 3H SER 1 H3 SER 1 -6.762 2.691 -9.013 4 HA SER 1 HA SER 1 -5.599 4.543 -7.070 5 1HB SER 1 HB1 SER 1 -7.451 2.165 -6.628 6 2HB SER 1 HB2 SER 1 -6.680 3.140 -5.359 7 HG SER 1 HG SER 1 -8.515 4.047 -7.325 8 H CYS 2 H CYS 2 -3.559 3.942 -8.178 9 HA CYS 2 HA CYS 2 -2.614 1.197 -7.964 10 1HB CYS 2 HB1 CYS 2 -1.130 3.766 -8.590 11 2HB CYS 2 HB2 CYS 2 -0.517 2.141 -8.826 12 H HIS 3 H HIS 3 -0.812 0.518 -6.701 13 HA HIS 3 HA HIS 3 -0.301 2.070 -4.197 14 1HB HIS 3 HB1 HIS 3 0.433 0.019 -3.217 15 2HB HIS 3 HB2 HIS 3 -1.176 -0.242 -3.896 16 HD2 HIS 3 HD2 HIS 3 2.527 -1.390 -4.396 17 HE1 HIS 3 HE1 HIS 3 0.095 -3.630 -7.034 18 HE2 HIS 3 HE2 HIS 3 2.458 -3.378 -6.101 19 H PHE 4 H PHE 4 1.923 2.432 -3.633 20 HA PHE 4 HA PHE 4 3.688 2.679 -5.937 21 1HB PHE 4 HB1 PHE 4 3.501 4.366 -4.102 22 2HB PHE 4 HB2 PHE 4 4.340 3.247 -3.036 23 HD1 PHE 4 HD1 PHE 4 4.584 5.335 -6.099 24 HD2 PHE 4 HD2 PHE 4 6.766 2.806 -3.373 25 HE1 PHE 4 HE1 PHE 4 6.719 6.100 -7.099 26 HE2 PHE 4 HE2 PHE 4 8.895 3.536 -4.409 27 HZ PHE 4 HZ PHE 4 8.879 5.192 -6.264 28 H GLY 5 H GLY 5 4.130 0.616 -6.647 29 1HA GLY 5 HA1 GLY 5 5.283 -1.424 -4.814 30 2HA GLY 5 HA2 GLY 5 4.635 -1.660 -6.447 31 HA PRO 6 HA PRO 6 9.319 -1.686 -6.563 32 1HB PRO 6 HB1 PRO 6 8.500 -3.653 -8.717 33 2HB PRO 6 HB2 PRO 6 9.919 -3.713 -7.631 34 1HG PRO 6 HG1 PRO 6 7.739 -5.207 -7.060 35 2HG PRO 6 HG2 PRO 6 8.517 -4.264 -5.752 36 1HD PRO 6 HD1 PRO 6 6.056 -3.533 -7.363 37 2HD PRO 6 HD2 PRO 6 6.315 -3.445 -5.595 38 H LEU 7 H LEU 7 7.000 -1.703 -9.318 39 HA LEU 7 HA LEU 7 8.815 0.034 -10.922 40 1HB LEU 7 HB1 LEU 7 6.277 -1.438 -11.705 41 2HB LEU 7 HB2 LEU 7 7.392 -0.595 -12.789 42 HG LEU 7 HG LEU 7 8.012 -3.104 -11.161 43 1HD1 LEU 7 HD11 LEU 7 6.481 -3.470 -13.059 44 2HD1 LEU 7 HD12 LEU 7 7.638 -2.680 -14.153 45 3HD1 LEU 7 HD13 LEU 7 8.066 -4.207 -13.353 46 1HD2 LEU 7 HD21 LEU 7 9.738 -1.541 -13.137 47 2HD2 LEU 7 HD22 LEU 7 10.073 -1.796 -11.408 48 3HD2 LEU 7 HD23 LEU 7 10.112 -3.165 -12.522 49 H GLY 8 H GLY 8 7.912 1.397 -8.796 50 1HA GLY 8 HA1 GLY 8 6.983 3.411 -8.291 51 2HA GLY 8 HA2 GLY 8 6.601 3.623 -10.009 52 H TRP 9 H TRP 9 4.456 4.257 -9.965 53 HA TRP 9 HA TRP 9 2.516 3.137 -8.130 54 1HB TRP 9 HB1 TRP 9 2.297 4.977 -10.525 55 2HB TRP 9 HB2 TRP 9 0.926 4.476 -9.537 56 HD1 TRP 9 HD1 TRP 9 3.462 7.122 -9.702 57 HE1 TRP 9 HE1 TRP 9 3.530 8.510 -7.521 58 HE3 TRP 9 HE3 TRP 9 0.685 4.064 -6.682 59 HZ2 TRP 9 HZ2 TRP 9 2.550 8.297 -4.845 60 HZ3 TRP 9 HZ3 TRP 9 0.283 4.676 -4.316 61 HH2 TRP 9 HH2 TRP 9 1.211 6.783 -3.388 62 H VAL 10 H VAL 10 2.302 0.984 -8.361 63 HA VAL 10 HA VAL 10 1.648 -0.215 -11.002 64 HB VAL 10 HB VAL 10 2.425 -1.413 -8.311 65 1HG1 VAL 10 HG11 VAL 10 1.792 -2.781 -10.966 66 2HG1 VAL 10 HG12 VAL 10 2.513 -3.574 -9.550 67 3HG1 VAL 10 HG13 VAL 10 0.867 -2.942 -9.458 68 1HG2 VAL 10 HG21 VAL 10 3.890 -1.291 -10.985 69 2HG2 VAL 10 HG22 VAL 10 4.324 -0.383 -9.525 70 3HG2 VAL 10 HG23 VAL 10 4.455 -2.144 -9.532 71 H CYS 11 H CYS 11 -0.439 -0.545 -11.462 72 HA CYS 11 HA CYS 11 -2.497 -0.654 -9.298 73 1HB CYS 11 HB1 CYS 11 -2.545 0.077 -12.226 74 2HB CYS 11 HB2 CYS 11 -3.969 -0.630 -11.477 75 H LYS 12 H LYS 12 -4.113 -2.277 -9.477 76 HA LYS 12 HA LYS 12 -2.917 -4.916 -9.887 77 1HB LYS 12 HB1 LYS 12 -5.512 -3.905 -8.655 78 2HB LYS 12 HB2 LYS 12 -5.152 -5.614 -8.884 79 1HG LYS 12 HG1 LYS 12 -4.638 -5.004 -6.625 80 2HG LYS 12 HG2 LYS 12 -3.194 -5.518 -7.493 81 1HD LYS 12 HD1 LYS 12 -2.692 -3.686 -6.005 82 2HD LYS 12 HD2 LYS 12 -2.432 -3.174 -7.666 83 1HE LYS 12 HE1 LYS 12 -4.697 -2.012 -7.580 84 2HE LYS 12 HE2 LYS 12 -4.837 -2.521 -5.890 85 1HZ LYS 12 HZ1 LYS 12 -2.696 -0.843 -6.990 86 2HZ LYS 12 HZ2 LYS 12 -4.001 -0.289 -6.149 87 3HZ LYS 12 HZ3 LYS 12 -2.886 -1.259 -5.409 88 1HN NH2 13 HN1 NH2 13 -4.168 -4.885 -13.271 89 2HN NH2 13 HN2 NH2 13 -2.782 -4.421 -12.298 Start of MODEL 10 1 1H SER 1 H1 SER 1 -6.675 3.148 -9.426 2 2H SER 1 H2 SER 1 -6.971 4.767 -9.308 3 3H SER 1 H3 SER 1 -5.477 4.231 -9.756 4 HA SER 1 HA SER 1 -5.456 4.995 -7.513 5 1HB SER 1 HB1 SER 1 -7.533 2.813 -7.061 6 2HB SER 1 HB2 SER 1 -6.748 3.787 -5.801 7 HG SER 1 HG SER 1 -8.389 4.737 -7.913 8 H CYS 2 H CYS 2 -3.425 4.157 -8.478 9 HA CYS 2 HA CYS 2 -2.739 1.354 -8.071 10 1HB CYS 2 HB1 CYS 2 -1.032 3.765 -8.763 11 2HB CYS 2 HB2 CYS 2 -0.520 2.092 -8.860 12 H HIS 3 H HIS 3 -1.193 0.547 -6.644 13 HA HIS 3 HA HIS 3 -0.644 2.126 -4.174 14 1HB HIS 3 HB1 HIS 3 -0.021 -0.018 -3.202 15 2HB HIS 3 HB2 HIS 3 -1.668 -0.079 -3.837 16 HD2 HIS 3 HD2 HIS 3 1.867 -1.625 -4.520 17 HE1 HIS 3 HE1 HIS 3 -0.904 -3.494 -7.106 18 HE2 HIS 3 HE2 HIS 3 1.504 -3.536 -6.270 19 H PHE 4 H PHE 4 1.595 2.374 -3.517 20 HA PHE 4 HA PHE 4 3.427 2.497 -5.758 21 1HB PHE 4 HB1 PHE 4 3.402 4.096 -3.808 22 2HB PHE 4 HB2 PHE 4 4.134 2.821 -2.833 23 HD1 PHE 4 HD1 PHE 4 4.577 5.125 -5.706 24 HD2 PHE 4 HD2 PHE 4 6.475 2.088 -3.306 25 HE1 PHE 4 HE1 PHE 4 6.742 5.603 -6.812 26 HE2 PHE 4 HE2 PHE 4 8.629 2.542 -4.444 27 HZ PHE 4 HZ PHE 4 8.769 4.300 -6.195 28 H GLY 5 H GLY 5 5.067 1.085 -6.287 29 1HA GLY 5 HA1 GLY 5 5.771 -1.210 -4.612 30 2HA GLY 5 HA2 GLY 5 4.829 -1.574 -6.078 31 HA PRO 6 HA PRO 6 9.432 -1.760 -6.892 32 1HB PRO 6 HB1 PRO 6 8.249 -3.698 -8.901 33 2HB PRO 6 HB2 PRO 6 9.809 -3.805 -8.034 34 1HG PRO 6 HG1 PRO 6 7.685 -5.199 -7.116 35 2HG PRO 6 HG2 PRO 6 8.676 -4.262 -5.956 36 1HD PRO 6 HD1 PRO 6 6.030 -3.482 -7.201 37 2HD PRO 6 HD2 PRO 6 6.561 -3.347 -5.499 38 H LEU 7 H LEU 7 6.861 -1.701 -9.426 39 HA LEU 7 HA LEU 7 8.602 -0.035 -11.183 40 1HB LEU 7 HB1 LEU 7 5.967 -1.430 -11.760 41 2HB LEU 7 HB2 LEU 7 7.014 -0.613 -12.927 42 HG LEU 7 HG LEU 7 7.698 -3.138 -11.348 43 1HD1 LEU 7 HD11 LEU 7 6.007 -3.468 -13.113 44 2HD1 LEU 7 HD12 LEU 7 7.089 -2.709 -14.301 45 3HD1 LEU 7 HD13 LEU 7 7.543 -4.246 -13.533 46 1HD2 LEU 7 HD21 LEU 7 9.296 -1.624 -13.464 47 2HD2 LEU 7 HD22 LEU 7 9.766 -1.890 -11.768 48 3HD2 LEU 7 HD23 LEU 7 9.675 -3.258 -12.881 49 H GLY 8 H GLY 8 8.143 1.502 -9.223 50 1HA GLY 8 HA1 GLY 8 7.329 3.534 -8.610 51 2HA GLY 8 HA2 GLY 8 6.691 3.695 -10.253 52 H TRP 9 H TRP 9 4.520 3.958 -10.330 53 HA TRP 9 HA TRP 9 2.792 3.128 -8.075 54 1HB TRP 9 HB1 TRP 9 2.400 4.897 -10.500 55 2HB TRP 9 HB2 TRP 9 1.080 4.381 -9.453 56 HD1 TRP 9 HD1 TRP 9 3.654 7.024 -9.696 57 HE1 TRP 9 HE1 TRP 9 3.737 8.441 -7.533 58 HE3 TRP 9 HE3 TRP 9 0.815 4.055 -6.648 59 HZ2 TRP 9 HZ2 TRP 9 2.745 8.278 -4.856 60 HZ3 TRP 9 HZ3 TRP 9 0.406 4.707 -4.294 61 HH2 TRP 9 HH2 TRP 9 1.373 6.807 -3.386 62 H VAL 10 H VAL 10 2.315 1.046 -8.129 63 HA VAL 10 HA VAL 10 1.849 -0.379 -10.687 64 HB VAL 10 HB VAL 10 2.328 -1.361 -7.840 65 1HG1 VAL 10 HG11 VAL 10 2.147 -2.882 -10.481 66 2HG1 VAL 10 HG12 VAL 10 2.640 -3.576 -8.923 67 3HG1 VAL 10 HG13 VAL 10 0.989 -2.985 -9.138 68 1HG2 VAL 10 HG21 VAL 10 4.156 -1.247 -10.271 69 2HG2 VAL 10 HG22 VAL 10 4.358 -0.333 -8.762 70 3HG2 VAL 10 HG23 VAL 10 4.531 -2.092 -8.756 71 H CYS 11 H CYS 11 -0.223 -0.679 -11.296 72 HA CYS 11 HA CYS 11 -2.427 -0.696 -9.269 73 1HB CYS 11 HB1 CYS 11 -2.280 -0.100 -12.228 74 2HB CYS 11 HB2 CYS 11 -3.748 -0.779 -11.542 75 H LYS 12 H LYS 12 -4.071 -2.357 -9.583 76 HA LYS 12 HA LYS 12 -3.312 -4.832 -10.943 77 1HB LYS 12 HB1 LYS 12 -3.503 -6.191 -8.894 78 2HB LYS 12 HB2 LYS 12 -2.125 -5.087 -8.825 79 1HG LYS 12 HG1 LYS 12 -3.400 -3.537 -7.382 80 2HG LYS 12 HG2 LYS 12 -4.825 -4.590 -7.479 81 1HD LYS 12 HD1 LYS 12 -3.605 -6.414 -6.385 82 2HD LYS 12 HD2 LYS 12 -2.124 -5.438 -6.348 83 1HE LYS 12 HE1 LYS 12 -3.277 -3.753 -4.920 84 2HE LYS 12 HE2 LYS 12 -4.744 -4.753 -4.939 85 1HZ LYS 12 HZ1 LYS 12 -2.133 -5.554 -3.867 86 2HZ LYS 12 HZ2 LYS 12 -3.449 -5.106 -2.981 87 3HZ LYS 12 HZ3 LYS 12 -3.493 -6.486 -3.882 88 1HN NH2 13 HN1 NH2 13 -6.749 -5.821 -10.671 89 2HN NH2 13 HN2 NH2 13 -5.119 -6.451 -10.787 Start of MODEL 11 1 1H SER 1 H1 SER 1 -7.189 -0.136 -4.556 2 2H SER 1 H2 SER 1 -8.582 -0.117 -5.442 3 3H SER 1 H3 SER 1 -7.343 -1.124 -5.864 4 HA SER 1 HA SER 1 -7.456 0.712 -7.334 5 1HB SER 1 HB1 SER 1 -8.435 2.250 -5.568 6 2HB SER 1 HB2 SER 1 -6.797 2.437 -4.913 7 HG SER 1 HG SER 1 -7.717 3.086 -7.526 8 H CYS 2 H CYS 2 -5.337 2.466 -7.396 9 HA CYS 2 HA CYS 2 -3.121 0.582 -7.639 10 1HB CYS 2 HB1 CYS 2 -3.212 3.558 -8.198 11 2HB CYS 2 HB2 CYS 2 -1.972 2.421 -8.748 12 H HIS 3 H HIS 3 -0.896 1.341 -6.992 13 HA HIS 3 HA HIS 3 -0.674 2.628 -4.355 14 1HB HIS 3 HB1 HIS 3 0.194 0.506 -3.363 15 2HB HIS 3 HB2 HIS 3 -1.515 0.408 -3.785 16 HD2 HIS 3 HD2 HIS 3 1.891 -1.200 -4.800 17 HE1 HIS 3 HE1 HIS 3 -1.147 -3.046 -7.080 18 HE2 HIS 3 HE2 HIS 3 1.324 -3.134 -6.462 19 H PHE 4 H PHE 4 1.717 2.308 -3.605 20 HA PHE 4 HA PHE 4 3.510 2.612 -5.956 21 1HB PHE 4 HB1 PHE 4 3.575 4.290 -4.112 22 2HB PHE 4 HB2 PHE 4 4.136 3.021 -3.022 23 HD1 PHE 4 HD1 PHE 4 4.975 5.128 -5.955 24 HD2 PHE 4 HD2 PHE 4 6.412 2.039 -3.310 25 HE1 PHE 4 HE1 PHE 4 7.246 5.355 -6.918 26 HE2 PHE 4 HE2 PHE 4 8.669 2.238 -4.313 27 HZ PHE 4 HZ PHE 4 9.091 3.892 -6.119 28 H GLY 5 H GLY 5 5.026 1.073 -6.465 29 1HA GLY 5 HA1 GLY 5 5.632 -1.156 -4.653 30 2HA GLY 5 HA2 GLY 5 4.716 -1.553 -6.125 31 HA PRO 6 HA PRO 6 9.326 -1.961 -6.770 32 1HB PRO 6 HB1 PRO 6 8.112 -3.953 -8.707 33 2HB PRO 6 HB2 PRO 6 9.655 -4.074 -7.809 34 1HG PRO 6 HG1 PRO 6 7.466 -5.331 -6.856 35 2HG PRO 6 HG2 PRO 6 8.456 -4.354 -5.728 36 1HD PRO 6 HD1 PRO 6 5.877 -3.566 -7.106 37 2HD PRO 6 HD2 PRO 6 6.357 -3.347 -5.397 38 H LEU 7 H LEU 7 6.848 -1.848 -9.399 39 HA LEU 7 HA LEU 7 8.740 -0.320 -11.136 40 1HB LEU 7 HB1 LEU 7 6.131 -1.788 -11.670 41 2HB LEU 7 HB2 LEU 7 6.888 -0.705 -12.834 42 HG LEU 7 HG LEU 7 7.334 -2.986 -13.372 43 1HD1 LEU 7 HD11 LEU 7 9.007 -1.231 -13.941 44 2HD1 LEU 7 HD12 LEU 7 9.928 -1.664 -12.481 45 3HD1 LEU 7 HD13 LEU 7 9.704 -2.853 -13.773 46 1HD2 LEU 7 HD21 LEU 7 7.339 -3.935 -11.052 47 2HD2 LEU 7 HD22 LEU 7 8.659 -4.499 -12.093 48 3HD2 LEU 7 HD23 LEU 7 8.990 -3.288 -10.849 49 H GLY 8 H GLY 8 8.401 1.293 -9.286 50 1HA GLY 8 HA1 GLY 8 7.722 3.392 -8.730 51 2HA GLY 8 HA2 GLY 8 7.105 3.534 -10.383 52 H TRP 9 H TRP 9 4.970 4.056 -10.431 53 HA TRP 9 HA TRP 9 3.191 3.393 -8.178 54 1HB TRP 9 HB1 TRP 9 3.171 5.626 -9.227 55 2HB TRP 9 HB2 TRP 9 2.626 4.907 -10.742 56 HD1 TRP 9 HD1 TRP 9 0.072 4.744 -11.001 57 HE1 TRP 9 HE1 TRP 9 -1.988 5.018 -9.466 58 HE3 TRP 9 HE3 TRP 9 2.447 5.175 -6.483 59 HZ2 TRP 9 HZ2 TRP 9 -2.524 5.330 -6.670 60 HZ3 TRP 9 HZ3 TRP 9 1.131 5.433 -4.403 61 HH2 TRP 9 HH2 TRP 9 -1.350 5.498 -4.484 62 H VAL 10 H VAL 10 2.512 1.332 -8.164 63 HA VAL 10 HA VAL 10 2.091 -0.163 -10.698 64 HB VAL 10 HB VAL 10 2.432 -1.068 -7.812 65 1HG1 VAL 10 HG11 VAL 10 2.179 -2.685 -10.390 66 2HG1 VAL 10 HG12 VAL 10 2.606 -3.345 -8.798 67 3HG1 VAL 10 HG13 VAL 10 1.001 -2.656 -9.061 68 1HG2 VAL 10 HG21 VAL 10 4.289 -1.195 -10.224 69 2HG2 VAL 10 HG22 VAL 10 4.537 -0.223 -8.759 70 3HG2 VAL 10 HG23 VAL 10 4.590 -1.987 -8.666 71 H CYS 11 H CYS 11 0.060 -0.553 -11.364 72 HA CYS 11 HA CYS 11 -2.235 -0.065 -9.531 73 1HB CYS 11 HB1 CYS 11 -1.921 -0.085 -12.535 74 2HB CYS 11 HB2 CYS 11 -3.501 -0.175 -11.759 75 H LYS 12 H LYS 12 -4.088 -1.498 -9.757 76 HA LYS 12 HA LYS 12 -3.639 -4.210 -10.715 77 1HB LYS 12 HB1 LYS 12 -4.165 -5.266 -8.535 78 2HB LYS 12 HB2 LYS 12 -2.632 -4.425 -8.576 79 1HG LYS 12 HG1 LYS 12 -3.530 -3.963 -6.470 80 2HG LYS 12 HG2 LYS 12 -3.652 -2.473 -7.384 81 1HD LYS 12 HD1 LYS 12 -5.605 -2.865 -5.969 82 2HD LYS 12 HD2 LYS 12 -6.073 -2.785 -7.658 83 1HE LYS 12 HE1 LYS 12 -7.276 -4.552 -6.450 84 2HE LYS 12 HE2 LYS 12 -6.273 -5.274 -7.709 85 1HZ LYS 12 HZ1 LYS 12 -5.584 -5.089 -4.860 86 2HZ LYS 12 HZ2 LYS 12 -6.115 -6.441 -5.641 87 3HZ LYS 12 HZ3 LYS 12 -4.653 -5.788 -6.029 88 1HN NH2 13 HN1 NH2 13 -7.199 -4.658 -10.596 89 2HN NH2 13 HN2 NH2 13 -5.699 -5.539 -10.391 Start of MODEL 12 1 1H SER 1 H1 SER 1 -7.337 -1.121 -6.845 2 2H SER 1 H2 SER 1 -5.879 -1.771 -7.272 3 3H SER 1 H3 SER 1 -6.056 -1.042 -5.806 4 HA SER 1 HA SER 1 -6.255 0.264 -8.407 5 1HB SER 1 HB1 SER 1 -7.687 1.212 -6.538 6 2HB SER 1 HB2 SER 1 -6.188 1.579 -5.662 7 HG SER 1 HG SER 1 -6.994 2.535 -8.218 8 H CYS 2 H CYS 2 -4.560 2.364 -7.931 9 HA CYS 2 HA CYS 2 -1.977 1.019 -8.147 10 1HB CYS 2 HB1 CYS 2 -2.917 3.789 -8.754 11 2HB CYS 2 HB2 CYS 2 -1.201 3.393 -8.600 12 H HIS 3 H HIS 3 -0.208 1.269 -6.995 13 HA HIS 3 HA HIS 3 -0.164 2.798 -4.481 14 1HB HIS 3 HB1 HIS 3 0.369 0.775 -3.188 15 2HB HIS 3 HB2 HIS 3 -1.252 0.668 -3.879 16 HD2 HIS 3 HD2 HIS 3 2.259 -1.029 -4.216 17 HE1 HIS 3 HE1 HIS 3 -0.454 -3.112 -6.703 18 HE2 HIS 3 HE2 HIS 3 1.920 -3.115 -5.764 19 H PHE 4 H PHE 4 2.067 2.588 -3.512 20 HA PHE 4 HA PHE 4 4.099 2.841 -5.567 21 1HB PHE 4 HB1 PHE 4 4.311 2.872 -2.540 22 2HB PHE 4 HB2 PHE 4 5.583 3.321 -3.675 23 HD1 PHE 4 HD1 PHE 4 4.980 5.198 -5.433 24 HD2 PHE 4 HD2 PHE 4 2.852 4.571 -1.732 25 HE1 PHE 4 HE1 PHE 4 4.047 7.491 -5.575 26 HE2 PHE 4 HE2 PHE 4 1.949 6.874 -1.867 27 HZ PHE 4 HZ PHE 4 2.531 8.332 -3.794 28 H GLY 5 H GLY 5 3.976 0.767 -6.518 29 1HA GLY 5 HA1 GLY 5 4.845 -1.636 -5.027 30 2HA GLY 5 HA2 GLY 5 4.249 -1.504 -6.689 31 HA PRO 6 HA PRO 6 8.896 -1.980 -6.590 32 1HB PRO 6 HB1 PRO 6 9.160 -3.820 -8.623 33 2HB PRO 6 HB2 PRO 6 8.773 -4.238 -6.930 34 1HG PRO 6 HG1 PRO 6 6.840 -3.900 -9.231 35 2HG PRO 6 HG2 PRO 6 6.915 -5.233 -8.045 36 1HD PRO 6 HD1 PRO 6 5.179 -3.177 -7.771 37 2HD PRO 6 HD2 PRO 6 5.984 -3.869 -6.331 38 H LEU 7 H LEU 7 6.828 -1.712 -9.524 39 HA LEU 7 HA LEU 7 8.885 0.000 -10.847 40 1HB LEU 7 HB1 LEU 7 6.352 -1.251 -11.958 41 2HB LEU 7 HB2 LEU 7 7.604 -0.398 -12.870 42 HG LEU 7 HG LEU 7 7.951 -3.051 -11.395 43 1HD1 LEU 7 HD11 LEU 7 6.562 -3.196 -13.427 44 2HD1 LEU 7 HD12 LEU 7 7.841 -2.397 -14.367 45 3HD1 LEU 7 HD13 LEU 7 8.126 -3.999 -13.652 46 1HD2 LEU 7 HD21 LEU 7 9.909 -1.455 -13.110 47 2HD2 LEU 7 HD22 LEU 7 10.089 -1.848 -11.384 48 3HD2 LEU 7 HD23 LEU 7 10.148 -3.136 -12.590 49 H GLY 8 H GLY 8 7.810 1.209 -8.662 50 1HA GLY 8 HA1 GLY 8 7.069 3.299 -8.139 51 2HA GLY 8 HA2 GLY 8 6.768 3.606 -9.856 52 H TRP 9 H TRP 9 4.666 4.194 -10.114 53 HA TRP 9 HA TRP 9 2.665 3.484 -8.134 54 1HB TRP 9 HB1 TRP 9 3.040 5.744 -9.113 55 2HB TRP 9 HB2 TRP 9 2.425 5.159 -10.653 56 HD1 TRP 9 HD1 TRP 9 0.001 5.844 -10.977 57 HE1 TRP 9 HE1 TRP 9 -2.028 6.424 -9.485 58 HE3 TRP 9 HE3 TRP 9 2.048 4.908 -6.369 59 HZ2 TRP 9 HZ2 TRP 9 -2.670 6.459 -6.705 60 HZ3 TRP 9 HZ3 TRP 9 0.691 5.209 -4.327 61 HH2 TRP 9 HH2 TRP 9 -1.662 5.980 -4.477 62 H VAL 10 H VAL 10 2.561 1.199 -8.481 63 HA VAL 10 HA VAL 10 1.659 0.186 -11.121 64 HB VAL 10 HB VAL 10 2.686 -1.218 -8.617 65 1HG1 VAL 10 HG11 VAL 10 2.026 -2.324 -11.383 66 2HG1 VAL 10 HG12 VAL 10 2.878 -3.211 -10.102 67 3HG1 VAL 10 HG13 VAL 10 1.199 -2.725 -9.861 68 1HG2 VAL 10 HG21 VAL 10 4.011 -0.654 -11.305 69 2HG2 VAL 10 HG22 VAL 10 4.458 0.057 -9.741 70 3HG2 VAL 10 HG23 VAL 10 4.690 -1.671 -10.014 71 H CYS 11 H CYS 11 -0.342 -0.632 -11.438 72 HA CYS 11 HA CYS 11 -2.339 -0.684 -9.226 73 1HB CYS 11 HB1 CYS 11 -2.473 -0.403 -12.223 74 2HB CYS 11 HB2 CYS 11 -3.840 -1.050 -11.329 75 H LYS 12 H LYS 12 -3.163 -2.459 -8.480 76 HA LYS 12 HA LYS 12 -3.205 -4.936 -10.073 77 1HB LYS 12 HB1 LYS 12 -2.228 -4.744 -7.186 78 2HB LYS 12 HB2 LYS 12 -2.576 -6.254 -8.028 79 1HG LYS 12 HG1 LYS 12 -0.413 -4.286 -8.893 80 2HG LYS 12 HG2 LYS 12 -0.161 -5.690 -7.855 81 1HD LYS 12 HD1 LYS 12 -0.888 -7.216 -9.633 82 2HD LYS 12 HD2 LYS 12 -1.269 -5.852 -10.695 83 1HE LYS 12 HE1 LYS 12 0.868 -6.810 -11.324 84 2HE LYS 12 HE2 LYS 12 1.087 -5.158 -10.728 85 1HZ LYS 12 HZ1 LYS 12 1.552 -7.611 -9.181 86 2HZ LYS 12 HZ2 LYS 12 2.719 -6.670 -9.866 87 3HZ LYS 12 HZ3 LYS 12 1.794 -6.071 -8.642 88 1HN NH2 13 HN1 NH2 13 -6.213 -5.774 -8.323 89 2HN NH2 13 HN2 NH2 13 -4.822 -6.471 -9.127 Start of MODEL 13 1 1H SER 1 H1 SER 1 -6.477 2.086 -9.317 2 2H SER 1 H2 SER 1 -6.612 0.523 -9.828 3 3H SER 1 H3 SER 1 -7.895 1.267 -9.107 4 HA SER 1 HA SER 1 -6.750 1.419 -7.050 5 1HB SER 1 HB1 SER 1 -6.706 -0.997 -6.498 6 2HB SER 1 HB2 SER 1 -8.145 -0.537 -7.424 7 HG SER 1 HG SER 1 -5.788 -1.706 -8.481 8 H CYS 2 H CYS 2 -4.798 2.673 -7.792 9 HA CYS 2 HA CYS 2 -2.355 1.023 -8.043 10 1HB CYS 2 HB1 CYS 2 -3.015 3.852 -8.772 11 2HB CYS 2 HB2 CYS 2 -1.353 3.358 -8.443 12 H HIS 3 H HIS 3 -0.496 1.503 -6.991 13 HA HIS 3 HA HIS 3 -0.505 2.711 -4.327 14 1HB HIS 3 HB1 HIS 3 0.014 0.494 -3.289 15 2HB HIS 3 HB2 HIS 3 -1.636 0.577 -3.908 16 HD2 HIS 3 HD2 HIS 3 1.783 -1.174 -4.789 17 HE1 HIS 3 HE1 HIS 3 -1.265 -2.940 -7.118 18 HE2 HIS 3 HE2 HIS 3 1.198 -3.074 -6.487 19 H PHE 4 H PHE 4 1.764 2.462 -3.406 20 HA PHE 4 HA PHE 4 3.736 2.668 -5.533 21 1HB PHE 4 HB1 PHE 4 3.929 4.041 -3.523 22 2HB PHE 4 HB2 PHE 4 4.116 2.594 -2.528 23 HD1 PHE 4 HD1 PHE 4 5.630 4.488 -5.392 24 HD2 PHE 4 HD2 PHE 4 6.263 1.483 -2.363 25 HE1 PHE 4 HE1 PHE 4 8.000 4.280 -6.087 26 HE2 PHE 4 HE2 PHE 4 8.629 1.279 -3.067 27 HZ PHE 4 HZ PHE 4 9.499 2.665 -4.938 28 H GLY 5 H GLY 5 4.810 1.033 -6.423 29 1HA GLY 5 HA1 GLY 5 5.236 -1.546 -4.992 30 2HA GLY 5 HA2 GLY 5 4.506 -1.485 -6.610 31 HA PRO 6 HA PRO 6 9.198 -1.704 -6.732 32 1HB PRO 6 HB1 PRO 6 9.467 -3.785 -8.520 33 2HB PRO 6 HB2 PRO 6 9.243 -3.982 -6.761 34 1HG PRO 6 HG1 PRO 6 7.107 -4.099 -8.901 35 2HG PRO 6 HG2 PRO 6 7.393 -5.257 -7.571 36 1HD PRO 6 HD1 PRO 6 5.517 -3.326 -7.380 37 2HD PRO 6 HD2 PRO 6 6.525 -3.727 -5.959 38 H LEU 7 H LEU 7 6.845 -1.757 -9.446 39 HA LEU 7 HA LEU 7 8.731 -0.146 -11.123 40 1HB LEU 7 HB1 LEU 7 6.134 -1.590 -11.788 41 2HB LEU 7 HB2 LEU 7 7.008 -0.525 -12.886 42 HG LEU 7 HG LEU 7 7.462 -2.731 -13.505 43 1HD1 LEU 7 HD11 LEU 7 9.351 -1.101 -13.628 44 2HD1 LEU 7 HD12 LEU 7 9.978 -1.758 -12.097 45 3HD1 LEU 7 HD13 LEU 7 9.864 -2.795 -13.527 46 1HD2 LEU 7 HD21 LEU 7 6.995 -3.856 -11.328 47 2HD2 LEU 7 HD22 LEU 7 8.430 -4.457 -12.178 48 3HD2 LEU 7 HD23 LEU 7 8.628 -3.390 -10.785 49 H GLY 8 H GLY 8 8.243 1.326 -9.122 50 1HA GLY 8 HA1 GLY 8 7.537 3.399 -8.531 51 2HA GLY 8 HA2 GLY 8 6.963 3.601 -10.192 52 H TRP 9 H TRP 9 4.802 3.882 -10.416 53 HA TRP 9 HA TRP 9 3.013 3.395 -8.101 54 1HB TRP 9 HB1 TRP 9 3.289 5.658 -9.089 55 2HB TRP 9 HB2 TRP 9 2.622 5.067 -10.605 56 HD1 TRP 9 HD1 TRP 9 0.178 5.701 -10.838 57 HE1 TRP 9 HE1 TRP 9 -1.807 6.233 -9.272 58 HE3 TRP 9 HE3 TRP 9 2.420 4.833 -6.306 59 HZ2 TRP 9 HZ2 TRP 9 -2.356 6.225 -6.472 60 HZ3 TRP 9 HZ3 TRP 9 1.133 5.103 -4.215 61 HH2 TRP 9 HH2 TRP 9 -1.258 5.770 -4.283 62 H VAL 10 H VAL 10 2.499 1.249 -8.246 63 HA VAL 10 HA VAL 10 1.844 0.026 -10.867 64 HB VAL 10 HB VAL 10 2.458 -1.153 -8.120 65 1HG1 VAL 10 HG11 VAL 10 2.070 -2.507 -10.826 66 2HG1 VAL 10 HG12 VAL 10 2.712 -3.298 -9.371 67 3HG1 VAL 10 HG13 VAL 10 1.050 -2.709 -9.383 68 1HG2 VAL 10 HG21 VAL 10 4.140 -0.902 -10.644 69 2HG2 VAL 10 HG22 VAL 10 4.445 -0.097 -9.088 70 3HG2 VAL 10 HG23 VAL 10 4.595 -1.853 -9.216 71 H CYS 11 H CYS 11 -0.177 -0.760 -11.321 72 HA CYS 11 HA CYS 11 -2.330 -0.582 -9.267 73 1HB CYS 11 HB1 CYS 11 -2.305 -0.356 -12.253 74 2HB CYS 11 HB2 CYS 11 -3.714 -1.044 -11.459 75 H LYS 12 H LYS 12 -3.654 -2.226 -8.822 76 HA LYS 12 HA LYS 12 -2.412 -4.836 -8.955 77 1HB LYS 12 HB1 LYS 12 -3.529 -3.893 -6.933 78 2HB LYS 12 HB2 LYS 12 -5.073 -3.930 -7.779 79 1HG LYS 12 HG1 LYS 12 -4.914 -5.806 -6.286 80 2HG LYS 12 HG2 LYS 12 -4.899 -6.428 -7.939 81 1HD LYS 12 HD1 LYS 12 -2.460 -6.765 -7.823 82 2HD LYS 12 HD2 LYS 12 -2.408 -5.985 -6.225 83 1HE LYS 12 HE1 LYS 12 -3.837 -7.791 -5.306 84 2HE LYS 12 HE2 LYS 12 -3.909 -8.553 -6.908 85 1HZ LYS 12 HZ1 LYS 12 -1.477 -8.121 -5.325 86 2HZ LYS 12 HZ2 LYS 12 -2.266 -9.556 -5.519 87 3HZ LYS 12 HZ3 LYS 12 -1.544 -8.831 -6.812 88 1HN NH2 13 HN1 NH2 13 -3.948 -5.559 -12.125 89 2HN NH2 13 HN2 NH2 13 -2.490 -4.941 -11.366 Start of MODEL 14 1 1H SER 1 H1 SER 1 -7.309 -1.102 -8.865 2 2H SER 1 H2 SER 1 -8.562 -0.363 -8.085 3 3H SER 1 H3 SER 1 -7.567 0.514 -9.069 4 HA SER 1 HA SER 1 -7.078 0.938 -6.796 5 1HB SER 1 HB1 SER 1 -6.107 -0.910 -5.418 6 2HB SER 1 HB2 SER 1 -7.812 -1.161 -5.837 7 HG SER 1 HG SER 1 -5.570 -2.327 -7.136 8 H CYS 2 H CYS 2 -5.042 1.767 -6.405 9 HA CYS 2 HA CYS 2 -2.717 0.566 -7.721 10 1HB CYS 2 HB1 CYS 2 -3.289 3.537 -7.941 11 2HB CYS 2 HB2 CYS 2 -1.933 2.650 -8.647 12 H HIS 3 H HIS 3 -0.729 1.248 -6.877 13 HA HIS 3 HA HIS 3 -0.576 2.651 -4.312 14 1HB HIS 3 HB1 HIS 3 0.260 0.571 -3.173 15 2HB HIS 3 HB2 HIS 3 -1.458 0.501 -3.575 16 HD2 HIS 3 HD2 HIS 3 1.912 -1.209 -4.624 17 HE1 HIS 3 HE1 HIS 3 -1.255 -3.167 -6.624 18 HE2 HIS 3 HE2 HIS 3 1.251 -3.232 -6.145 19 H PHE 4 H PHE 4 1.760 2.712 -3.613 20 HA PHE 4 HA PHE 4 3.556 2.707 -5.929 21 1HB PHE 4 HB1 PHE 4 3.669 4.438 -4.136 22 2HB PHE 4 HB2 PHE 4 4.224 3.195 -3.014 23 HD1 PHE 4 HD1 PHE 4 5.048 5.151 -6.063 24 HD2 PHE 4 HD2 PHE 4 6.496 2.220 -3.250 25 HE1 PHE 4 HE1 PHE 4 7.311 5.307 -7.060 26 HE2 PHE 4 HE2 PHE 4 8.745 2.346 -4.284 27 HZ PHE 4 HZ PHE 4 9.156 3.884 -6.192 28 H GLY 5 H GLY 5 5.126 1.177 -6.370 29 1HA GLY 5 HA1 GLY 5 5.733 -1.003 -4.517 30 2HA GLY 5 HA2 GLY 5 4.768 -1.454 -5.942 31 HA PRO 6 HA PRO 6 9.349 -1.929 -6.746 32 1HB PRO 6 HB1 PRO 6 8.058 -3.945 -8.606 33 2HB PRO 6 HB2 PRO 6 9.614 -4.070 -7.733 34 1HG PRO 6 HG1 PRO 6 7.424 -5.278 -6.713 35 2HG PRO 6 HG2 PRO 6 8.467 -4.309 -5.627 36 1HD PRO 6 HD1 PRO 6 5.860 -3.489 -6.929 37 2HD PRO 6 HD2 PRO 6 6.403 -3.253 -5.242 38 H LEU 7 H LEU 7 6.755 -1.869 -9.253 39 HA LEU 7 HA LEU 7 8.593 -0.501 -11.161 40 1HB LEU 7 HB1 LEU 7 5.831 -1.691 -11.587 41 2HB LEU 7 HB2 LEU 7 6.926 -1.070 -12.829 42 HG LEU 7 HG LEU 7 7.407 -3.514 -11.059 43 1HD1 LEU 7 HD11 LEU 7 5.655 -3.826 -12.765 44 2HD1 LEU 7 HD12 LEU 7 6.775 -3.269 -14.027 45 3HD1 LEU 7 HD13 LEU 7 7.104 -4.775 -13.143 46 1HD2 LEU 7 HD21 LEU 7 9.091 -2.331 -13.314 47 2HD2 LEU 7 HD22 LEU 7 9.571 -2.499 -11.609 48 3HD2 LEU 7 HD23 LEU 7 9.332 -3.939 -12.602 49 H GLY 8 H GLY 8 8.316 1.217 -9.323 50 1HA GLY 8 HA1 GLY 8 7.682 3.345 -8.835 51 2HA GLY 8 HA2 GLY 8 7.039 3.450 -10.481 52 H TRP 9 H TRP 9 4.908 3.973 -10.515 53 HA TRP 9 HA TRP 9 3.153 3.377 -8.222 54 1HB TRP 9 HB1 TRP 9 3.149 5.595 -9.317 55 2HB TRP 9 HB2 TRP 9 2.575 4.850 -10.809 56 HD1 TRP 9 HD1 TRP 9 0.027 4.868 -11.052 57 HE1 TRP 9 HE1 TRP 9 -2.013 5.195 -9.500 58 HE3 TRP 9 HE3 TRP 9 2.433 5.051 -6.532 59 HZ2 TRP 9 HZ2 TRP 9 -2.523 5.473 -6.698 60 HZ3 TRP 9 HZ3 TRP 9 1.137 5.333 -4.444 61 HH2 TRP 9 HH2 TRP 9 -1.337 5.524 -4.512 62 H VAL 10 H VAL 10 2.389 1.360 -8.155 63 HA VAL 10 HA VAL 10 2.044 -0.237 -10.625 64 HB VAL 10 HB VAL 10 2.206 -0.983 -7.677 65 1HG1 VAL 10 HG11 VAL 10 2.041 -2.739 -10.167 66 2HG1 VAL 10 HG12 VAL 10 2.393 -3.316 -8.525 67 3HG1 VAL 10 HG13 VAL 10 0.812 -2.616 -8.888 68 1HG2 VAL 10 HG21 VAL 10 4.179 -1.279 -9.979 69 2HG2 VAL 10 HG22 VAL 10 4.372 -0.226 -8.563 70 3HG2 VAL 10 HG23 VAL 10 4.388 -1.983 -8.365 71 H CYS 11 H CYS 11 0.058 -0.250 -11.466 72 HA CYS 11 HA CYS 11 -2.360 0.056 -9.754 73 1HB CYS 11 HB1 CYS 11 -1.837 0.421 -12.698 74 2HB CYS 11 HB2 CYS 11 -3.463 0.267 -12.026 75 H LYS 12 H LYS 12 -2.322 -1.972 -8.822 76 HA LYS 12 HA LYS 12 -3.480 -4.085 -10.524 77 1HB LYS 12 HB1 LYS 12 -1.179 -4.532 -8.567 78 2HB LYS 12 HB2 LYS 12 -2.143 -5.807 -9.330 79 1HG LYS 12 HG1 LYS 12 -1.390 -5.041 -11.569 80 2HG LYS 12 HG2 LYS 12 -0.385 -3.794 -10.802 81 1HD LYS 12 HD1 LYS 12 0.879 -5.545 -9.587 82 2HD LYS 12 HD2 LYS 12 -0.100 -6.798 -10.381 83 1HE LYS 12 HE1 LYS 12 0.709 -6.036 -12.596 84 2HE LYS 12 HE2 LYS 12 1.665 -4.759 -11.818 85 1HZ LYS 12 HZ1 LYS 12 2.022 -7.642 -11.420 86 2HZ LYS 12 HZ2 LYS 12 2.984 -6.661 -12.332 87 3HZ LYS 12 HZ3 LYS 12 2.907 -6.454 -10.698 88 1HN NH2 13 HN1 NH2 13 -5.476 -4.992 -7.724 89 2HN NH2 13 HN2 NH2 13 -4.854 -5.519 -9.275 Start of MODEL 15 1 1H SER 1 H1 SER 1 -6.166 -1.335 -8.339 2 2H SER 1 H2 SER 1 -5.225 -2.692 -8.417 3 3H SER 1 H3 SER 1 -6.593 -2.694 -7.503 4 HA SER 1 HA SER 1 -5.725 -1.111 -6.010 5 1HB SER 1 HB1 SER 1 -3.861 -3.472 -6.462 6 2HB SER 1 HB2 SER 1 -3.970 -2.504 -4.977 7 HG SER 1 HG SER 1 -6.171 -3.134 -4.845 8 H CYS 2 H CYS 2 -5.097 0.867 -6.786 9 HA CYS 2 HA CYS 2 -2.465 1.293 -8.067 10 1HB CYS 2 HB1 CYS 2 -4.750 3.111 -7.351 11 2HB CYS 2 HB2 CYS 2 -3.222 3.647 -8.041 12 H HIS 3 H HIS 3 -0.827 1.024 -6.751 13 HA HIS 3 HA HIS 3 -0.589 2.651 -4.290 14 1HB HIS 3 HB1 HIS 3 0.314 0.647 -3.101 15 2HB HIS 3 HB2 HIS 3 -1.401 0.497 -3.488 16 HD2 HIS 3 HD2 HIS 3 2.038 -0.886 -4.932 17 HE1 HIS 3 HE1 HIS 3 -1.100 -3.455 -6.097 18 HE2 HIS 3 HE2 HIS 3 1.423 -3.103 -6.163 19 H PHE 4 H PHE 4 1.770 2.699 -3.609 20 HA PHE 4 HA PHE 4 3.536 2.726 -5.960 21 1HB PHE 4 HB1 PHE 4 3.657 4.480 -4.194 22 2HB PHE 4 HB2 PHE 4 4.211 3.256 -3.052 23 HD1 PHE 4 HD1 PHE 4 5.059 5.221 -6.080 24 HD2 PHE 4 HD2 PHE 4 6.474 2.240 -3.301 25 HE1 PHE 4 HE1 PHE 4 7.327 5.378 -7.062 26 HE2 PHE 4 HE2 PHE 4 8.729 2.371 -4.319 27 HZ PHE 4 HZ PHE 4 9.160 3.934 -6.202 28 H GLY 5 H GLY 5 5.035 1.158 -6.446 29 1HA GLY 5 HA1 GLY 5 5.631 -1.029 -4.559 30 2HA GLY 5 HA2 GLY 5 4.733 -1.438 -6.039 31 HA PRO 6 HA PRO 6 9.346 -1.896 -6.642 32 1HB PRO 6 HB1 PRO 6 8.159 -3.924 -8.555 33 2HB PRO 6 HB2 PRO 6 9.665 -4.041 -7.599 34 1HG PRO 6 HG1 PRO 6 7.427 -5.264 -6.705 35 2HG PRO 6 HG2 PRO 6 8.407 -4.296 -5.560 36 1HD PRO 6 HD1 PRO 6 5.874 -3.472 -7.002 37 2HD PRO 6 HD2 PRO 6 6.318 -3.254 -5.283 38 H LEU 7 H LEU 7 6.825 -1.831 -9.213 39 HA LEU 7 HA LEU 7 8.722 -0.525 -11.104 40 1HB LEU 7 HB1 LEU 7 5.939 -1.664 -11.541 41 2HB LEU 7 HB2 LEU 7 7.057 -1.089 -12.786 42 HG LEU 7 HG LEU 7 7.466 -3.512 -10.970 43 1HD1 LEU 7 HD11 LEU 7 5.734 -3.812 -12.699 44 2HD1 LEU 7 HD12 LEU 7 6.886 -3.300 -13.952 45 3HD1 LEU 7 HD13 LEU 7 7.167 -4.798 -13.039 46 1HD2 LEU 7 HD21 LEU 7 9.209 -2.398 -13.217 47 2HD2 LEU 7 HD22 LEU 7 9.659 -2.553 -11.502 48 3HD2 LEU 7 HD23 LEU 7 9.404 -4.001 -12.479 49 H GLY 8 H GLY 8 8.414 1.227 -9.266 50 1HA GLY 8 HA1 GLY 8 7.789 3.373 -8.829 51 2HA GLY 8 HA2 GLY 8 7.156 3.462 -10.481 52 H TRP 9 H TRP 9 4.999 3.898 -10.567 53 HA TRP 9 HA TRP 9 3.243 3.254 -8.279 54 1HB TRP 9 HB1 TRP 9 3.180 5.485 -9.396 55 2HB TRP 9 HB2 TRP 9 2.578 4.699 -10.857 56 HD1 TRP 9 HD1 TRP 9 0.014 4.459 -10.976 57 HE1 TRP 9 HE1 TRP 9 -1.970 4.782 -9.354 58 HE3 TRP 9 HE3 TRP 9 2.604 5.152 -6.615 59 HZ2 TRP 9 HZ2 TRP 9 -2.369 5.265 -6.555 60 HZ3 TRP 9 HZ3 TRP 9 1.390 5.522 -4.488 61 HH2 TRP 9 HH2 TRP 9 -1.090 5.564 -4.447 62 H VAL 10 H VAL 10 1.875 1.573 -8.306 63 HA VAL 10 HA VAL 10 1.762 -0.204 -10.706 64 HB VAL 10 HB VAL 10 2.080 -0.912 -7.761 65 1HG1 VAL 10 HG11 VAL 10 1.906 -2.685 -10.239 66 2HG1 VAL 10 HG12 VAL 10 2.309 -3.240 -8.601 67 3HG1 VAL 10 HG13 VAL 10 0.701 -2.591 -8.937 68 1HG2 VAL 10 HG21 VAL 10 4.001 -1.142 -10.110 69 2HG2 VAL 10 HG22 VAL 10 4.194 -0.100 -8.683 70 3HG2 VAL 10 HG23 VAL 10 4.263 -1.857 -8.507 71 H CYS 11 H CYS 11 -0.261 0.044 -11.447 72 HA CYS 11 HA CYS 11 -2.616 -0.096 -9.606 73 1HB CYS 11 HB1 CYS 11 -2.294 0.774 -12.466 74 2HB CYS 11 HB2 CYS 11 -3.858 0.448 -11.719 75 H LYS 12 H LYS 12 -2.184 -2.243 -9.050 76 HA LYS 12 HA LYS 12 -2.220 -4.336 -11.098 77 1HB LYS 12 HB1 LYS 12 -0.876 -4.488 -9.025 78 2HB LYS 12 HB2 LYS 12 -2.358 -4.502 -8.061 79 1HG LYS 12 HG1 LYS 12 -3.058 -6.603 -9.213 80 2HG LYS 12 HG2 LYS 12 -1.571 -6.555 -10.182 81 1HD LYS 12 HD1 LYS 12 -0.217 -6.674 -8.103 82 2HD LYS 12 HD2 LYS 12 -1.700 -6.751 -7.135 83 1HE LYS 12 HE1 LYS 12 -0.865 -8.792 -9.251 84 2HE LYS 12 HE2 LYS 12 -0.655 -8.982 -7.502 85 1HZ LYS 12 HZ1 LYS 12 -3.024 -8.841 -7.257 86 2HZ LYS 12 HZ2 LYS 12 -3.223 -8.701 -8.888 87 3HZ LYS 12 HZ3 LYS 12 -2.602 -10.087 -8.251 88 1HN NH2 13 HN1 NH2 13 -5.787 -4.075 -11.373 89 2HN NH2 13 HN2 NH2 13 -4.261 -3.590 -12.092 Start of MODEL 16 1 1H SER 1 H1 SER 1 -4.709 -3.090 -8.027 2 2H SER 1 H2 SER 1 -6.242 -3.101 -7.417 3 3H SER 1 H3 SER 1 -5.802 -1.956 -8.526 4 HA SER 1 HA SER 1 -5.906 -1.021 -6.358 5 1HB SER 1 HB1 SER 1 -3.781 -3.095 -5.683 6 2HB SER 1 HB2 SER 1 -4.330 -1.786 -4.617 7 HG SER 1 HG SER 1 -6.431 -2.698 -4.740 8 H CYS 2 H CYS 2 -5.061 0.916 -6.766 9 HA CYS 2 HA CYS 2 -2.434 1.275 -8.090 10 1HB CYS 2 HB1 CYS 2 -4.694 3.138 -7.398 11 2HB CYS 2 HB2 CYS 2 -3.150 3.648 -8.074 12 H HIS 3 H HIS 3 -0.806 0.992 -6.744 13 HA HIS 3 HA HIS 3 -0.569 2.656 -4.304 14 1HB HIS 3 HB1 HIS 3 0.284 0.655 -3.075 15 2HB HIS 3 HB2 HIS 3 -1.429 0.524 -3.483 16 HD2 HIS 3 HD2 HIS 3 2.017 -0.970 -4.768 17 HE1 HIS 3 HE1 HIS 3 -1.145 -3.410 -6.137 18 HE2 HIS 3 HE2 HIS 3 1.390 -3.157 -6.050 19 H PHE 4 H PHE 4 1.762 2.778 -3.635 20 HA PHE 4 HA PHE 4 3.541 2.730 -5.957 21 1HB PHE 4 HB1 PHE 4 3.655 4.500 -4.204 22 2HB PHE 4 HB2 PHE 4 4.216 3.286 -3.054 23 HD1 PHE 4 HD1 PHE 4 5.048 5.234 -6.097 24 HD2 PHE 4 HD2 PHE 4 6.484 2.279 -3.301 25 HE1 PHE 4 HE1 PHE 4 7.313 5.391 -7.088 26 HE2 PHE 4 HE2 PHE 4 8.735 2.409 -4.328 27 HZ PHE 4 HZ PHE 4 9.153 3.960 -6.224 28 H GLY 5 H GLY 5 5.061 1.172 -6.418 29 1HA GLY 5 HA1 GLY 5 5.690 -0.980 -4.514 30 2HA GLY 5 HA2 GLY 5 4.752 -1.431 -5.955 31 HA PRO 6 HA PRO 6 9.342 -1.905 -6.682 32 1HB PRO 6 HB1 PRO 6 8.095 -3.938 -8.553 33 2HB PRO 6 HB2 PRO 6 9.627 -4.056 -7.639 34 1HG PRO 6 HG1 PRO 6 7.410 -5.260 -6.671 35 2HG PRO 6 HG2 PRO 6 8.426 -4.288 -5.562 36 1HD PRO 6 HD1 PRO 6 5.856 -3.466 -6.938 37 2HD PRO 6 HD2 PRO 6 6.351 -3.232 -5.235 38 H LEU 7 H LEU 7 6.769 -1.841 -9.204 39 HA LEU 7 HA LEU 7 8.636 -0.546 -11.133 40 1HB LEU 7 HB1 LEU 7 5.843 -1.677 -11.522 41 2HB LEU 7 HB2 LEU 7 6.944 -1.109 -12.785 42 HG LEU 7 HG LEU 7 7.375 -3.528 -10.969 43 1HD1 LEU 7 HD11 LEU 7 5.610 -3.830 -12.664 44 2HD1 LEU 7 HD12 LEU 7 6.739 -3.325 -13.940 45 3HD1 LEU 7 HD13 LEU 7 7.033 -4.821 -13.027 46 1HD2 LEU 7 HD21 LEU 7 9.079 -2.430 -13.252 47 2HD2 LEU 7 HD22 LEU 7 9.561 -2.577 -11.546 48 3HD2 LEU 7 HD23 LEU 7 9.284 -4.030 -12.510 49 H GLY 8 H GLY 8 8.373 1.209 -9.299 50 1HA GLY 8 HA1 GLY 8 7.762 3.353 -8.840 51 2HA GLY 8 HA2 GLY 8 7.119 3.451 -10.488 52 H TRP 9 H TRP 9 4.965 3.887 -10.575 53 HA TRP 9 HA TRP 9 3.214 3.292 -8.270 54 1HB TRP 9 HB1 TRP 9 3.174 5.512 -9.398 55 2HB TRP 9 HB2 TRP 9 2.571 4.727 -10.859 56 HD1 TRP 9 HD1 TRP 9 0.009 4.585 -11.008 57 HE1 TRP 9 HE1 TRP 9 -1.983 4.923 -9.399 58 HE3 TRP 9 HE3 TRP 9 2.569 5.120 -6.604 59 HZ2 TRP 9 HZ2 TRP 9 -2.401 5.356 -6.597 60 HZ3 TRP 9 HZ3 TRP 9 1.341 5.480 -4.484 61 HH2 TRP 9 HH2 TRP 9 -1.138 5.579 -4.468 62 H VAL 10 H VAL 10 1.944 1.548 -8.246 63 HA VAL 10 HA VAL 10 1.820 -0.227 -10.645 64 HB VAL 10 HB VAL 10 2.085 -0.919 -7.691 65 1HG1 VAL 10 HG11 VAL 10 2.015 -2.686 -10.175 66 2HG1 VAL 10 HG12 VAL 10 2.373 -3.239 -8.526 67 3HG1 VAL 10 HG13 VAL 10 0.765 -2.618 -8.913 68 1HG2 VAL 10 HG21 VAL 10 4.061 -1.101 -10.000 69 2HG2 VAL 10 HG22 VAL 10 4.206 -0.067 -8.563 70 3HG2 VAL 10 HG23 VAL 10 4.303 -1.824 -8.398 71 H CYS 11 H CYS 11 -0.185 0.089 -11.423 72 HA CYS 11 HA CYS 11 -2.584 -0.141 -9.650 73 1HB CYS 11 HB1 CYS 11 -2.203 0.794 -12.487 74 2HB CYS 11 HB2 CYS 11 -3.779 0.473 -11.762 75 H LYS 12 H LYS 12 -2.082 -2.345 -9.185 76 HA LYS 12 HA LYS 12 -3.070 -4.197 -11.273 77 1HB LYS 12 HB1 LYS 12 -0.498 -4.647 -9.689 78 2HB LYS 12 HB2 LYS 12 -1.327 -5.831 -10.712 79 1HG LYS 12 HG1 LYS 12 -0.982 -4.320 -12.691 80 2HG LYS 12 HG2 LYS 12 -0.092 -3.207 -11.649 81 1HD LYS 12 HD1 LYS 12 1.497 -4.527 -12.864 82 2HD LYS 12 HD2 LYS 12 1.586 -4.941 -11.149 83 1HE LYS 12 HE1 LYS 12 1.776 -6.922 -12.601 84 2HE LYS 12 HE2 LYS 12 0.360 -7.040 -11.555 85 1HZ LYS 12 HZ1 LYS 12 0.351 -6.194 -14.370 86 2HZ LYS 12 HZ2 LYS 12 -0.105 -7.675 -13.806 87 3HZ LYS 12 HZ3 LYS 12 -0.980 -6.338 -13.406 88 1HN NH2 13 HN1 NH2 13 -4.549 -6.098 -8.687 89 2HN NH2 13 HN2 NH2 13 -4.156 -6.004 -10.391 Start of MODEL 17 1 1H SER 1 H1 SER 1 -6.812 -1.633 -8.447 2 2H SER 1 H2 SER 1 -8.059 -1.245 -7.435 3 3H SER 1 H3 SER 1 -7.476 -0.126 -8.500 4 HA SER 1 HA SER 1 -6.734 0.362 -6.323 5 1HB SER 1 HB1 SER 1 -5.272 -1.177 -5.113 6 2HB SER 1 HB2 SER 1 -6.821 -1.963 -5.468 7 HG SER 1 HG SER 1 -5.695 -2.853 -7.365 8 H CYS 2 H CYS 2 -4.753 1.457 -6.044 9 HA CYS 2 HA CYS 2 -2.516 0.919 -7.853 10 1HB CYS 2 HB1 CYS 2 -3.856 3.627 -7.660 11 2HB CYS 2 HB2 CYS 2 -2.274 3.313 -8.387 12 H HIS 3 H HIS 3 -0.569 1.429 -6.986 13 HA HIS 3 HA HIS 3 -0.316 2.665 -4.335 14 1HB HIS 3 HB1 HIS 3 0.536 0.495 -3.380 15 2HB HIS 3 HB2 HIS 3 -1.194 0.486 -3.729 16 HD2 HIS 3 HD2 HIS 3 2.111 -1.157 -5.065 17 HE1 HIS 3 HE1 HIS 3 -1.174 -2.933 -7.055 18 HE2 HIS 3 HE2 HIS 3 1.358 -3.045 -6.719 19 H PHE 4 H PHE 4 1.962 2.636 -3.629 20 HA PHE 4 HA PHE 4 3.875 2.834 -5.838 21 1HB PHE 4 HB1 PHE 4 4.195 3.110 -2.833 22 2HB PHE 4 HB2 PHE 4 5.471 3.362 -4.020 23 HD1 PHE 4 HD1 PHE 4 5.118 5.133 -5.861 24 HD2 PHE 4 HD2 PHE 4 2.701 4.920 -2.294 25 HE1 PHE 4 HE1 PHE 4 4.328 7.451 -6.253 26 HE2 PHE 4 HE2 PHE 4 1.931 7.243 -2.683 27 HZ PHE 4 HZ PHE 4 2.729 8.506 -4.669 28 H GLY 5 H GLY 5 4.225 0.866 -6.736 29 1HA GLY 5 HA1 GLY 5 4.869 -1.518 -5.060 30 2HA GLY 5 HA2 GLY 5 4.378 -1.472 -6.761 31 HA PRO 6 HA PRO 6 9.051 -1.767 -6.419 32 1HB PRO 6 HB1 PRO 6 9.425 -3.819 -8.217 33 2HB PRO 6 HB2 PRO 6 9.050 -4.057 -6.487 34 1HG PRO 6 HG1 PRO 6 7.112 -4.082 -8.811 35 2HG PRO 6 HG2 PRO 6 7.256 -5.275 -7.488 36 1HD PRO 6 HD1 PRO 6 5.405 -3.311 -7.421 37 2HD PRO 6 HD2 PRO 6 6.263 -3.775 -5.924 38 H LEU 7 H LEU 7 6.896 -1.823 -9.285 39 HA LEU 7 HA LEU 7 8.907 -0.308 -10.886 40 1HB LEU 7 HB1 LEU 7 6.292 -1.615 -11.706 41 2HB LEU 7 HB2 LEU 7 7.487 -0.875 -12.781 42 HG LEU 7 HG LEU 7 7.915 -3.370 -11.069 43 1HD1 LEU 7 HD11 LEU 7 6.387 -3.703 -12.976 44 2HD1 LEU 7 HD12 LEU 7 7.605 -3.021 -14.077 45 3HD1 LEU 7 HD13 LEU 7 7.927 -4.545 -13.223 46 1HD2 LEU 7 HD21 LEU 7 9.761 -1.983 -13.066 47 2HD2 LEU 7 HD22 LEU 7 10.057 -2.206 -11.325 48 3HD2 LEU 7 HD23 LEU 7 10.022 -3.607 -12.399 49 H GLY 8 H GLY 8 8.094 1.214 -8.861 50 1HA GLY 8 HA1 GLY 8 7.423 3.371 -8.536 51 2HA GLY 8 HA2 GLY 8 6.987 3.465 -10.251 52 H TRP 9 H TRP 9 4.897 4.218 -10.288 53 HA TRP 9 HA TRP 9 2.952 3.469 -8.244 54 1HB TRP 9 HB1 TRP 9 3.119 5.732 -9.197 55 2HB TRP 9 HB2 TRP 9 2.652 5.112 -10.777 56 HD1 TRP 9 HD1 TRP 9 0.174 5.412 -11.261 57 HE1 TRP 9 HE1 TRP 9 -1.987 5.807 -9.900 58 HE3 TRP 9 HE3 TRP 9 2.057 4.901 -6.523 59 HZ2 TRP 9 HZ2 TRP 9 -2.767 5.939 -7.157 60 HZ3 TRP 9 HZ3 TRP 9 0.564 5.127 -4.562 61 HH2 TRP 9 HH2 TRP 9 -1.841 5.648 -4.864 62 H VAL 10 H VAL 10 2.503 1.313 -8.392 63 HA VAL 10 HA VAL 10 1.876 0.065 -11.017 64 HB VAL 10 HB VAL 10 2.490 -1.082 -8.263 65 1HG1 VAL 10 HG11 VAL 10 1.920 -2.507 -10.900 66 2HG1 VAL 10 HG12 VAL 10 2.571 -3.281 -9.440 67 3HG1 VAL 10 HG13 VAL 10 0.944 -2.598 -9.416 68 1HG2 VAL 10 HG21 VAL 10 4.073 -1.048 -10.870 69 2HG2 VAL 10 HG22 VAL 10 4.483 -0.165 -9.387 70 3HG2 VAL 10 HG23 VAL 10 4.544 -1.929 -9.403 71 H CYS 11 H CYS 11 -0.142 -0.691 -11.464 72 HA CYS 11 HA CYS 11 -2.269 -0.474 -9.392 73 1HB CYS 11 HB1 CYS 11 -2.438 0.059 -12.366 74 2HB CYS 11 HB2 CYS 11 -3.816 0.057 -11.269 75 H LYS 12 H LYS 12 -3.803 -2.056 -9.330 76 HA LYS 12 HA LYS 12 -3.561 -4.421 -11.090 77 1HB LYS 12 HB1 LYS 12 -3.396 -4.464 -8.042 78 2HB LYS 12 HB2 LYS 12 -3.639 -5.895 -9.046 79 1HG LYS 12 HG1 LYS 12 -1.163 -4.114 -9.163 80 2HG LYS 12 HG2 LYS 12 -1.313 -5.606 -8.233 81 1HD LYS 12 HD1 LYS 12 -1.737 -6.889 -10.309 82 2HD LYS 12 HD2 LYS 12 -1.547 -5.408 -11.269 83 1HE LYS 12 HE1 LYS 12 0.760 -5.138 -10.414 84 2HE LYS 12 HE2 LYS 12 0.587 -6.635 -9.475 85 1HZ LYS 12 HZ1 LYS 12 0.413 -6.407 -12.395 86 2HZ LYS 12 HZ2 LYS 12 1.693 -7.002 -11.544 87 3HZ LYS 12 HZ3 LYS 12 0.251 -7.801 -11.528 88 1HN NH2 13 HN1 NH2 13 -6.999 -5.021 -10.548 89 2HN NH2 13 HN2 NH2 13 -5.490 -5.668 -11.158 Start of MODEL 18 1 1H SER 1 H1 SER 1 -8.230 -0.799 -7.654 2 2H SER 1 H2 SER 1 -7.471 0.220 -8.708 3 3H SER 1 H3 SER 1 -6.963 -1.343 -8.568 4 HA SER 1 HA SER 1 -6.830 0.702 -6.488 5 1HB SER 1 HB1 SER 1 -5.770 -2.158 -6.486 6 2HB SER 1 HB2 SER 1 -5.540 -0.959 -5.197 7 HG SER 1 HG SER 1 -8.004 -2.031 -6.111 8 H CYS 2 H CYS 2 -4.809 1.680 -6.168 9 HA CYS 2 HA CYS 2 -2.525 0.870 -7.822 10 1HB CYS 2 HB1 CYS 2 -3.621 3.690 -7.772 11 2HB CYS 2 HB2 CYS 2 -2.072 3.196 -8.473 12 H HIS 3 H HIS 3 -0.549 1.440 -6.984 13 HA HIS 3 HA HIS 3 -0.319 2.650 -4.320 14 1HB HIS 3 HB1 HIS 3 0.506 0.487 -3.360 15 2HB HIS 3 HB2 HIS 3 -1.211 0.450 -3.765 16 HD2 HIS 3 HD2 HIS 3 2.156 -1.166 -4.937 17 HE1 HIS 3 HE1 HIS 3 -0.996 -2.922 -7.146 18 HE2 HIS 3 HE2 HIS 3 1.511 -3.034 -6.655 19 H PHE 4 H PHE 4 1.957 2.603 -3.597 20 HA PHE 4 HA PHE 4 3.884 2.839 -5.786 21 1HB PHE 4 HB1 PHE 4 4.196 3.040 -2.773 22 2HB PHE 4 HB2 PHE 4 5.465 3.345 -3.957 23 HD1 PHE 4 HD1 PHE 4 5.058 5.165 -5.752 24 HD2 PHE 4 HD2 PHE 4 2.703 4.816 -2.154 25 HE1 PHE 4 HE1 PHE 4 4.237 7.485 -6.059 26 HE2 PHE 4 HE2 PHE 4 1.904 7.142 -2.457 27 HZ PHE 4 HZ PHE 4 2.654 8.474 -4.417 28 H GLY 5 H GLY 5 4.229 0.881 -6.720 29 1HA GLY 5 HA1 GLY 5 4.866 -1.530 -5.080 30 2HA GLY 5 HA2 GLY 5 4.376 -1.457 -6.780 31 HA PRO 6 HA PRO 6 9.050 -1.770 -6.433 32 1HB PRO 6 HB1 PRO 6 9.419 -3.814 -8.242 33 2HB PRO 6 HB2 PRO 6 9.046 -4.059 -6.513 34 1HG PRO 6 HG1 PRO 6 7.103 -4.070 -8.833 35 2HG PRO 6 HG2 PRO 6 7.248 -5.270 -7.517 36 1HD PRO 6 HD1 PRO 6 5.400 -3.304 -7.434 37 2HD PRO 6 HD2 PRO 6 6.263 -3.775 -5.942 38 H LEU 7 H LEU 7 6.895 -1.812 -9.300 39 HA LEU 7 HA LEU 7 8.905 -0.287 -10.891 40 1HB LEU 7 HB1 LEU 7 6.293 -1.594 -11.720 41 2HB LEU 7 HB2 LEU 7 7.488 -0.847 -12.790 42 HG LEU 7 HG LEU 7 7.918 -3.349 -11.091 43 1HD1 LEU 7 HD11 LEU 7 6.392 -3.675 -13.000 44 2HD1 LEU 7 HD12 LEU 7 7.608 -2.986 -14.098 45 3HD1 LEU 7 HD13 LEU 7 7.932 -4.514 -13.251 46 1HD2 LEU 7 HD21 LEU 7 9.763 -1.950 -13.080 47 2HD2 LEU 7 HD22 LEU 7 10.058 -2.182 -11.341 48 3HD2 LEU 7 HD23 LEU 7 10.026 -3.578 -12.421 49 H GLY 8 H GLY 8 8.091 1.223 -8.860 50 1HA GLY 8 HA1 GLY 8 7.422 3.379 -8.526 51 2HA GLY 8 HA2 GLY 8 6.984 3.480 -10.240 52 H TRP 9 H TRP 9 4.889 4.210 -10.295 53 HA TRP 9 HA TRP 9 2.948 3.464 -8.243 54 1HB TRP 9 HB1 TRP 9 3.116 5.729 -9.201 55 2HB TRP 9 HB2 TRP 9 2.633 5.105 -10.774 56 HD1 TRP 9 HD1 TRP 9 0.150 5.419 -11.232 57 HE1 TRP 9 HE1 TRP 9 -1.995 5.818 -9.847 58 HE3 TRP 9 HE3 TRP 9 2.082 4.891 -6.516 59 HZ2 TRP 9 HZ2 TRP 9 -2.746 5.945 -7.095 60 HZ3 TRP 9 HZ3 TRP 9 0.611 5.113 -4.539 61 HH2 TRP 9 HH2 TRP 9 -1.796 5.641 -4.813 62 H VAL 10 H VAL 10 2.498 1.307 -8.392 63 HA VAL 10 HA VAL 10 1.879 0.065 -11.023 64 HB VAL 10 HB VAL 10 2.485 -1.098 -8.274 65 1HG1 VAL 10 HG11 VAL 10 1.955 -2.500 -10.931 66 2HG1 VAL 10 HG12 VAL 10 2.596 -3.284 -9.474 67 3HG1 VAL 10 HG13 VAL 10 0.963 -2.614 -9.460 68 1HG2 VAL 10 HG21 VAL 10 4.092 -1.017 -10.866 69 2HG2 VAL 10 HG22 VAL 10 4.483 -0.156 -9.364 70 3HG2 VAL 10 HG23 VAL 10 4.556 -1.920 -9.409 71 H CYS 11 H CYS 11 -0.117 -0.823 -11.431 72 HA CYS 11 HA CYS 11 -2.273 -0.474 -9.406 73 1HB CYS 11 HB1 CYS 11 -2.388 -0.030 -12.396 74 2HB CYS 11 HB2 CYS 11 -3.778 0.038 -11.314 75 H LYS 12 H LYS 12 -3.906 -1.967 -9.388 76 HA LYS 12 HA LYS 12 -3.737 -4.377 -11.080 77 1HB LYS 12 HB1 LYS 12 -3.623 -4.397 -8.028 78 2HB LYS 12 HB2 LYS 12 -3.996 -5.807 -9.034 79 1HG LYS 12 HG1 LYS 12 -1.782 -5.614 -10.141 80 2HG LYS 12 HG2 LYS 12 -1.383 -4.244 -9.086 81 1HD LYS 12 HD1 LYS 12 -1.654 -5.696 -7.087 82 2HD LYS 12 HD2 LYS 12 -2.095 -7.054 -8.136 83 1HE LYS 12 HE1 LYS 12 0.225 -7.287 -7.484 84 2HE LYS 12 HE2 LYS 12 0.149 -6.939 -9.220 85 1HZ LYS 12 HZ1 LYS 12 0.721 -4.989 -7.099 86 2HZ LYS 12 HZ2 LYS 12 1.834 -5.673 -8.106 87 3HZ LYS 12 HZ3 LYS 12 0.679 -4.667 -8.716 88 1HN NH2 13 HN1 NH2 13 -7.239 -4.687 -10.657 89 2HN NH2 13 HN2 NH2 13 -5.769 -5.427 -11.254 Start of MODEL 19 1 1H SER 1 H1 SER 1 -6.767 1.478 -5.253 2 2H SER 1 H2 SER 1 -8.236 0.752 -5.423 3 3H SER 1 H3 SER 1 -6.864 -0.165 -5.359 4 HA SER 1 HA SER 1 -7.679 -0.061 -7.564 5 1HB SER 1 HB1 SER 1 -7.302 2.949 -7.282 6 2HB SER 1 HB2 SER 1 -7.749 2.084 -8.767 7 HG SER 1 HG SER 1 -9.613 1.341 -7.656 8 H CYS 2 H CYS 2 -5.177 2.275 -6.421 9 HA CYS 2 HA CYS 2 -3.104 0.604 -7.643 10 1HB CYS 2 HB1 CYS 2 -3.262 3.601 -8.122 11 2HB CYS 2 HB2 CYS 2 -2.014 2.507 -8.731 12 H HIS 3 H HIS 3 -0.906 1.417 -7.015 13 HA HIS 3 HA HIS 3 -0.690 2.593 -4.333 14 1HB HIS 3 HB1 HIS 3 0.198 0.404 -3.441 15 2HB HIS 3 HB2 HIS 3 -1.528 0.382 -3.793 16 HD2 HIS 3 HD2 HIS 3 1.789 -1.224 -5.129 17 HE1 HIS 3 HE1 HIS 3 -1.455 -2.967 -7.200 18 HE2 HIS 3 HE2 HIS 3 1.062 -3.088 -6.809 19 H PHE 4 H PHE 4 1.685 2.264 -3.587 20 HA PHE 4 HA PHE 4 3.504 2.608 -5.904 21 1HB PHE 4 HB1 PHE 4 3.627 4.190 -3.998 22 2HB PHE 4 HB2 PHE 4 4.093 2.853 -2.944 23 HD1 PHE 4 HD1 PHE 4 5.084 4.869 -5.925 24 HD2 PHE 4 HD2 PHE 4 6.357 1.910 -3.057 25 HE1 PHE 4 HE1 PHE 4 7.394 4.998 -6.812 26 HE2 PHE 4 HE2 PHE 4 8.658 2.021 -3.972 27 HZ PHE 4 HZ PHE 4 9.179 3.554 -5.856 28 H GLY 5 H GLY 5 5.072 1.119 -6.423 29 1HA GLY 5 HA1 GLY 5 5.460 -1.331 -4.826 30 2HA GLY 5 HA2 GLY 5 4.699 -1.480 -6.426 31 HA PRO 6 HA PRO 6 9.383 -1.585 -6.639 32 1HB PRO 6 HB1 PRO 6 9.671 -3.790 -8.268 33 2HB PRO 6 HB2 PRO 6 9.478 -3.856 -6.496 34 1HG PRO 6 HG1 PRO 6 7.317 -4.185 -8.586 35 2HG PRO 6 HG2 PRO 6 7.645 -5.227 -7.172 36 1HD PRO 6 HD1 PRO 6 5.730 -3.325 -7.115 37 2HD PRO 6 HD2 PRO 6 6.756 -3.597 -5.677 38 H LEU 7 H LEU 7 6.974 -1.845 -9.283 39 HA LEU 7 HA LEU 7 8.820 -0.379 -11.129 40 1HB LEU 7 HB1 LEU 7 6.200 -1.857 -11.603 41 2HB LEU 7 HB2 LEU 7 7.035 -0.877 -12.805 42 HG LEU 7 HG LEU 7 7.467 -3.127 -13.272 43 1HD1 LEU 7 HD11 LEU 7 9.342 -1.508 -13.596 44 2HD1 LEU 7 HD12 LEU 7 10.033 -2.045 -12.046 45 3HD1 LEU 7 HD13 LEU 7 9.866 -3.188 -13.386 46 1HD2 LEU 7 HD21 LEU 7 7.093 -4.083 -10.999 47 2HD2 LEU 7 HD22 LEU 7 8.499 -4.743 -11.855 48 3HD2 LEU 7 HD23 LEU 7 8.742 -3.570 -10.556 49 H GLY 8 H GLY 8 8.430 1.275 -9.278 50 1HA GLY 8 HA1 GLY 8 7.712 3.382 -8.807 51 2HA GLY 8 HA2 GLY 8 7.082 3.450 -10.461 52 H TRP 9 H TRP 9 4.975 4.101 -10.380 53 HA TRP 9 HA TRP 9 3.219 3.346 -8.145 54 1HB TRP 9 HB1 TRP 9 3.213 5.620 -9.093 55 2HB TRP 9 HB2 TRP 9 2.650 4.978 -10.635 56 HD1 TRP 9 HD1 TRP 9 0.093 4.780 -10.885 57 HE1 TRP 9 HE1 TRP 9 -1.958 5.039 -9.335 58 HE3 TRP 9 HE3 TRP 9 2.496 5.170 -6.379 59 HZ2 TRP 9 HZ2 TRP 9 -2.477 5.318 -6.533 60 HZ3 TRP 9 HZ3 TRP 9 1.192 5.413 -4.289 61 HH2 TRP 9 HH2 TRP 9 -1.289 5.474 -4.353 62 H VAL 10 H VAL 10 2.509 1.288 -8.210 63 HA VAL 10 HA VAL 10 1.991 -0.069 -10.807 64 HB VAL 10 HB VAL 10 2.387 -1.135 -7.982 65 1HG1 VAL 10 HG11 VAL 10 2.020 -2.606 -10.633 66 2HG1 VAL 10 HG12 VAL 10 2.478 -3.360 -9.092 67 3HG1 VAL 10 HG13 VAL 10 0.884 -2.622 -9.268 68 1HG2 VAL 10 HG21 VAL 10 4.172 -1.177 -10.450 69 2HG2 VAL 10 HG22 VAL 10 4.487 -0.295 -8.940 70 3HG2 VAL 10 HG23 VAL 10 4.496 -2.063 -8.947 71 H CYS 11 H CYS 11 -0.068 -0.569 -11.392 72 HA CYS 11 HA CYS 11 -2.273 0.069 -9.509 73 1HB CYS 11 HB1 CYS 11 -2.106 -0.091 -12.505 74 2HB CYS 11 HB2 CYS 11 -3.648 -0.122 -11.646 75 H LYS 12 H LYS 12 -3.923 -1.362 -9.093 76 HA LYS 12 HA LYS 12 -3.028 -4.125 -8.947 77 1HB LYS 12 HB1 LYS 12 -4.037 -2.768 -7.094 78 2HB LYS 12 HB2 LYS 12 -5.598 -2.858 -7.921 79 1HG LYS 12 HG1 LYS 12 -5.414 -5.382 -7.826 80 2HG LYS 12 HG2 LYS 12 -3.921 -5.202 -6.895 81 1HD LYS 12 HD1 LYS 12 -6.679 -4.172 -6.076 82 2HD LYS 12 HD2 LYS 12 -5.906 -5.650 -5.483 83 1HE LYS 12 HE1 LYS 12 -4.025 -4.257 -4.562 84 2HE LYS 12 HE2 LYS 12 -4.921 -2.796 -5.030 85 1HZ LYS 12 HZ1 LYS 12 -5.870 -4.851 -3.178 86 2HZ LYS 12 HZ2 LYS 12 -5.296 -3.360 -2.771 87 3HZ LYS 12 HZ3 LYS 12 -6.699 -3.498 -3.626 88 1HN NH2 13 HN1 NH2 13 -4.603 -4.790 -12.136 89 2HN NH2 13 HN2 NH2 13 -3.097 -4.238 -11.421 Start of MODEL 20 1 1H SER 1 H1 SER 1 -7.861 2.779 -6.391 2 2H SER 1 H2 SER 1 -6.818 1.551 -6.032 3 3H SER 1 H3 SER 1 -6.280 3.110 -6.066 4 HA SER 1 HA SER 1 -7.299 1.577 -8.337 5 1HB SER 1 HB1 SER 1 -6.127 4.389 -8.281 6 2HB SER 1 HB2 SER 1 -6.619 3.488 -9.729 7 HG SER 1 HG SER 1 -8.736 3.421 -8.849 8 H CYS 2 H CYS 2 -4.404 3.269 -7.005 9 HA CYS 2 HA CYS 2 -2.721 1.029 -7.912 10 1HB CYS 2 HB1 CYS 2 -1.907 3.921 -8.339 11 2HB CYS 2 HB2 CYS 2 -1.091 2.480 -8.937 12 H HIS 3 H HIS 3 -0.933 0.660 -6.713 13 HA HIS 3 HA HIS 3 -0.544 2.237 -4.204 14 1HB HIS 3 HB1 HIS 3 0.052 0.126 -3.123 15 2HB HIS 3 HB2 HIS 3 -1.611 0.077 -3.717 16 HD2 HIS 3 HD2 HIS 3 1.796 -1.718 -4.239 17 HE1 HIS 3 HE1 HIS 3 -0.977 -3.430 -6.937 18 HE2 HIS 3 HE2 HIS 3 1.370 -3.651 -5.954 19 H PHE 4 H PHE 4 1.666 2.599 -3.672 20 HA PHE 4 HA PHE 4 3.463 2.502 -5.924 21 1HB PHE 4 HB1 PHE 4 3.427 4.277 -4.139 22 2HB PHE 4 HB2 PHE 4 4.188 3.116 -3.050 23 HD1 PHE 4 HD1 PHE 4 4.570 5.105 -6.167 24 HD2 PHE 4 HD2 PHE 4 6.553 2.443 -3.415 25 HE1 PHE 4 HE1 PHE 4 6.736 5.573 -7.274 26 HE2 PHE 4 HE2 PHE 4 8.708 2.872 -4.562 27 HZ PHE 4 HZ PHE 4 8.806 4.438 -6.488 28 H GLY 5 H GLY 5 5.267 1.189 -6.254 29 1HA GLY 5 HA1 GLY 5 6.024 -0.943 -4.430 30 2HA GLY 5 HA2 GLY 5 5.078 -1.482 -5.840 31 HA PRO 6 HA PRO 6 9.657 -1.553 -6.778 32 1HB PRO 6 HB1 PRO 6 8.510 -3.712 -8.570 33 2HB PRO 6 HB2 PRO 6 10.088 -3.681 -7.730 34 1HG PRO 6 HG1 PRO 6 8.037 -5.072 -6.652 35 2HG PRO 6 HG2 PRO 6 9.013 -4.003 -5.598 36 1HD PRO 6 HD1 PRO 6 6.317 -3.425 -6.853 37 2HD PRO 6 HD2 PRO 6 6.867 -3.137 -5.176 38 H LEU 7 H LEU 7 6.974 -1.792 -9.173 39 HA LEU 7 HA LEU 7 8.585 -0.296 -11.187 40 1HB LEU 7 HB1 LEU 7 5.936 -1.762 -11.449 41 2HB LEU 7 HB2 LEU 7 6.898 -1.066 -12.761 42 HG LEU 7 HG LEU 7 7.709 -3.409 -10.975 43 1HD1 LEU 7 HD11 LEU 7 5.919 -3.929 -12.589 44 2HD1 LEU 7 HD12 LEU 7 6.919 -3.292 -13.913 45 3HD1 LEU 7 HD13 LEU 7 7.436 -4.738 -13.020 46 1HD2 LEU 7 HD21 LEU 7 9.158 -2.111 -13.329 47 2HD2 LEU 7 HD22 LEU 7 9.732 -2.198 -11.647 48 3HD2 LEU 7 HD23 LEU 7 9.592 -3.674 -12.605 49 H GLY 8 H GLY 8 8.211 1.436 -9.368 50 1HA GLY 8 HA1 GLY 8 7.352 3.484 -8.864 51 2HA GLY 8 HA2 GLY 8 6.645 3.498 -10.489 52 H TRP 9 H TRP 9 4.503 3.987 -10.302 53 HA TRP 9 HA TRP 9 2.852 2.980 -8.081 54 1HB TRP 9 HB1 TRP 9 2.293 4.730 -10.482 55 2HB TRP 9 HB2 TRP 9 1.032 4.105 -9.417 56 HD1 TRP 9 HD1 TRP 9 3.660 6.787 -9.572 57 HE1 TRP 9 HE1 TRP 9 3.592 8.231 -7.426 58 HE3 TRP 9 HE3 TRP 9 0.470 3.942 -6.756 59 HZ2 TRP 9 HZ2 TRP 9 2.373 8.127 -4.844 60 HZ3 TRP 9 HZ3 TRP 9 -0.116 4.638 -4.451 61 HH2 TRP 9 HH2 TRP 9 0.837 6.713 -3.482 62 H VAL 10 H VAL 10 2.161 0.980 -8.105 63 HA VAL 10 HA VAL 10 1.914 -0.558 -10.630 64 HB VAL 10 HB VAL 10 1.970 -1.412 -7.704 65 1HG1 VAL 10 HG11 VAL 10 2.029 -3.058 -10.273 66 2HG1 VAL 10 HG12 VAL 10 2.241 -3.694 -8.628 67 3HG1 VAL 10 HG13 VAL 10 0.688 -2.998 -9.109 68 1HG2 VAL 10 HG21 VAL 10 4.099 -1.557 -9.878 69 2HG2 VAL 10 HG22 VAL 10 4.166 -0.562 -8.408 70 3HG2 VAL 10 HG23 VAL 10 4.213 -2.324 -8.281 71 H CYS 11 H CYS 11 -0.076 -0.550 -11.486 72 HA CYS 11 HA CYS 11 -2.395 0.240 -9.839 73 1HB CYS 11 HB1 CYS 11 -1.906 0.176 -12.814 74 2HB CYS 11 HB2 CYS 11 -3.429 0.655 -12.056 75 H LYS 12 H LYS 12 -4.285 -0.864 -9.722 76 HA LYS 12 HA LYS 12 -4.093 -3.755 -9.982 77 1HB LYS 12 HB1 LYS 12 -5.051 -2.555 -8.022 78 2HB LYS 12 HB2 LYS 12 -6.394 -2.001 -9.032 79 1HG LYS 12 HG1 LYS 12 -7.025 -4.388 -9.448 80 2HG LYS 12 HG2 LYS 12 -5.638 -4.907 -8.468 81 1HD LYS 12 HD1 LYS 12 -6.607 -3.768 -6.487 82 2HD LYS 12 HD2 LYS 12 -7.950 -3.175 -7.481 83 1HE LYS 12 HE1 LYS 12 -8.685 -5.105 -6.200 84 2HE LYS 12 HE2 LYS 12 -8.661 -5.518 -7.923 85 1HZ LYS 12 HZ1 LYS 12 -6.579 -6.199 -5.965 86 2HZ LYS 12 HZ2 LYS 12 -7.721 -7.231 -6.555 87 3HZ LYS 12 HZ3 LYS 12 -6.572 -6.614 -7.561 88 1HN NH2 13 HN1 NH2 13 -5.258 -3.585 -13.388 89 2HN NH2 13 HN2 NH2 13 -3.808 -3.601 -12.399
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