NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
592401 | 2msq | 25129 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 H SER 1 -3.533 5.265 -1.586 2 HA SER 1 HA SER 1 -2.485 7.310 0.171 3 HB3 SER 1 2HB SER 1 -4.456 8.390 -0.938 4 HG SER 1 HG SER 1 -6.183 6.820 0.569 5 H CYS 2 H CYS 2 -1.713 5.020 0.741 6 HA CYS 2 HA CYS 2 -3.534 3.950 2.787 7 HB3 CYS 2 2HB CYS 2 -1.996 1.775 2.006 8 H GLY 3 H GLY 3 -2.644 3.654 4.747 9 HA2 GLY 3 2HA GLY 3 0.121 4.463 5.113 10 HA3 GLY 3 3HA GLY 3 -1.056 4.159 6.382 11 H GLY 4 H GLY 4 -0.162 2.677 7.675 12 HA2 GLY 4 2HA GLY 4 0.690 0.665 8.377 13 HA3 GLY 4 3HA GLY 4 0.088 -0.003 6.868 14 H SER 5 H SER 5 2.226 -1.223 7.547 15 HA SER 5 HA SER 5 4.405 0.033 6.013 16 HB3 SER 5 2HB SER 5 5.405 -1.896 7.912 17 HG SER 5 HG SER 5 6.899 -0.410 8.033 18 H CYS 6 H CYS 6 5.765 -1.391 4.833 19 HA CYS 6 HA CYS 6 4.363 -3.614 3.700 20 HB3 CYS 6 2HB CYS 6 6.790 -3.867 2.606 21 H PHE 7 H PHE 7 6.667 -3.207 6.224 22 HA PHE 7 HA PHE 7 7.669 -5.896 6.184 23 HB3 PHE 7 2HB PHE 7 7.788 -3.991 8.519 24 HD1 PHE 7 1HD PHE 7 10.349 -5.810 6.552 25 HD2 PHE 7 2HD PHE 7 8.274 -5.473 10.254 26 HE1 PHE 7 1HE PHE 7 11.883 -7.449 7.557 27 HE2 PHE 7 2HE PHE 7 9.806 -7.110 11.265 28 HZ PHE 7 HZ PHE 7 11.615 -8.100 9.917 29 H GLY 8 H GLY 8 4.842 -4.391 7.335 30 HA2 GLY 8 2HA GLY 8 4.174 -6.835 8.848 31 HA3 GLY 8 3HA GLY 8 3.808 -5.246 9.502 32 H GLY 9 H GLY 9 3.515 -5.769 6.090 33 HA2 GLY 9 2HA GLY 9 1.631 -6.256 4.787 34 HA3 GLY 9 3HA GLY 9 0.672 -6.366 6.255 35 H CYS 10 H CYS 10 0.541 -4.821 3.576 36 HA CYS 10 HA CYS 10 0.615 -2.063 4.306 37 HB3 CYS 10 2HB CYS 10 -0.927 -2.023 2.116 38 H TRP 11 H TRP 11 -1.422 -0.687 3.943 39 HA TRP 11 HA TRP 11 -3.245 -1.199 5.977 40 HB3 TRP 11 2HB TRP 11 -4.540 0.428 4.039 41 HD1 TRP 11 HD TRP 11 -2.238 0.483 7.137 42 HE1 TRP 11 1HE TRP 11 -3.145 2.246 8.778 43 HE3 TRP 11 3HE TRP 11 -5.974 2.440 4.246 44 HZ2 TRP 11 2HZ TRP 11 -5.174 4.207 8.840 45 HZ3 TRP 11 3HZ TRP 11 -7.351 4.256 5.170 46 HH2 TRP 11 HH TRP 11 -6.959 5.119 7.421 47 HA HYP 12 HA HYP 12 -6.392 -3.826 4.448 48 HB2 HYP 12 3HB HYP 12 -8.166 -3.494 5.842 49 HB3 HYP 12 2HB HYP 12 -8.495 -1.884 5.184 50 HG HYP 12 HG HYP 12 -7.835 -1.557 7.330 51 HD22 HYP 12 2HD2 HYP 12 -6.611 -0.188 5.820 52 HD23 HYP 12 3HD2 HYP 12 -5.326 -0.910 6.817 53 HD1 HYP 12 1HD HYP 12 -6.288 -3.859 6.883 54 H GLY 13 H GLY 13 -6.701 -4.176 2.369 55 HA2 GLY 13 2HA GLY 13 -7.944 -3.964 0.380 56 HA3 GLY 13 3HA GLY 13 -8.377 -2.327 0.852 57 H CYS 14 H CYS 14 -5.066 -3.197 1.134 58 HA CYS 14 HA CYS 14 -4.454 -1.934 -1.450 59 HB3 CYS 14 2HB CYS 14 -2.443 -0.901 -0.148 60 H SER 15 H SER 15 -1.822 -2.059 -1.588 61 HA SER 15 HA SER 15 -0.948 -4.728 -0.776 62 HB3 SER 15 2HB SER 15 -1.254 -5.590 -2.823 63 HG SER 15 HG SER 15 -2.306 -4.466 -4.349 64 H CYS 16 H CYS 16 1.397 -5.067 -1.255 65 HA CYS 16 HA CYS 16 2.848 -2.606 -0.647 66 HB3 CYS 16 2HB CYS 16 3.757 -5.492 -0.562 67 H TYR 17 H TYR 17 3.143 -1.563 -2.572 68 HA TYR 17 HA TYR 17 4.729 -3.001 -4.595 69 HB3 TYR 17 2HB TYR 17 2.639 -0.864 -5.054 70 HD1 TYR 17 1HD TYR 17 4.837 -3.316 -6.833 71 HD2 TYR 17 2HD TYR 17 2.819 0.429 -6.950 72 HE1 TYR 17 1HE TYR 17 5.786 -2.880 -9.059 73 HE2 TYR 17 2HE TYR 17 3.762 0.874 -9.178 74 HH TYR 17 HH TYR 17 5.911 -1.472 -10.765 75 H ALA 18 H ALA 18 6.648 -2.143 -5.059 76 HA ALA 18 HA ALA 18 8.412 -0.708 -5.154 77 HB1 ALA 18 1HB ALA 18 6.734 0.675 -6.405 78 HB2 ALA 18 2HB ALA 18 6.410 1.525 -4.893 79 HB3 ALA 18 3HB ALA 18 8.018 1.591 -5.616 80 H ARG 19 H ARG 19 7.874 -1.819 -2.691 81 HA ARG 19 HA ARG 19 8.321 -1.628 -0.467 82 HB3 ARG 19 2HB ARG 19 9.896 0.449 0.023 83 HG3 ARG 19 2HG ARG 19 10.492 -2.057 -0.204 84 HD3 ARG 19 2HD ARG 19 12.222 -2.143 -2.184 85 HE ARG 19 HE ARG 19 9.482 -2.969 -2.094 86 HH11 ARG 19 1HH1 ARG 19 12.325 -2.806 -4.097 87 HH12 ARG 19 2HH1 ARG 19 11.857 -4.142 -5.096 88 HH21 ARG 19 1HH2 ARG 19 8.854 -4.728 -3.403 89 HH22 ARG 19 2HH2 ARG 19 9.882 -5.233 -4.701 90 H THR 20 H THR 20 6.027 -0.107 -1.708 91 HA THR 20 HA THR 20 5.333 1.382 0.689 92 HB THR 20 HB THR 20 4.838 2.793 -1.902 93 HG1 THR 20 1HG THR 20 6.879 3.982 -1.228 94 HG21 THR 20 3HG2 THR 20 3.750 3.976 -0.294 95 HG22 THR 20 1HG2 THR 20 5.346 4.697 -0.088 96 HG23 THR 20 2HG2 THR 20 4.814 3.411 0.994 97 H CYS 21 H CYS 21 3.021 2.070 0.652 98 HA CYS 21 HA CYS 21 1.422 -0.041 -0.573 99 HB3 CYS 21 2HB CYS 21 -0.362 0.729 0.944 100 H PHE 22 H PHE 22 0.340 0.285 -2.389 101 HA PHE 22 HA PHE 22 -1.042 2.750 -2.909 102 HB3 PHE 22 2HB PHE 22 0.744 2.100 -5.166 103 HD1 PHE 22 2HD PHE 22 0.787 4.975 -2.839 104 HD2 PHE 22 1HD PHE 22 -0.461 3.482 -6.625 105 HE1 PHE 22 2HE PHE 22 0.132 7.248 -3.515 106 HE2 PHE 22 1HE PHE 22 -1.119 5.754 -7.307 107 HZ PHE 22 HZ PHE 22 -0.823 7.640 -5.751 108 H ARG 23 H ARG 23 -2.705 2.494 -4.348 109 HA ARG 23 HA ARG 23 -2.836 0.249 -6.138 110 HB3 ARG 23 2HB ARG 23 -3.456 -0.676 -3.852 111 HG3 ARG 23 2HG ARG 23 -5.060 1.504 -3.603 112 HD3 ARG 23 2HD ARG 23 -6.505 -0.074 -5.313 113 HE ARG 23 HE ARG 23 -6.904 -1.337 -2.904 114 HH11 ARG 23 1HH1 ARG 23 -8.877 0.373 -5.208 115 HH12 ARG 23 2HH1 ARG 23 -10.310 -0.533 -4.850 116 HH21 ARG 23 1HH2 ARG 23 -8.784 -2.538 -2.426 117 HH22 ARG 23 2HH2 ARG 23 -10.255 -2.189 -3.267 118 H ASP 24 H ASP 24 -4.432 0.473 -7.693 119 HA ASP 24 HA ASP 24 -5.240 3.007 -8.412 120 HB3 ASP 24 2HB ASP 24 -7.164 1.545 -9.614 121 H GLY 25 H GLY 25 -6.840 4.357 -7.857 122 HA2 GLY 25 2HA GLY 25 -8.987 4.965 -7.116 123 HA3 GLY 25 3HA GLY 25 -9.216 3.331 -6.510 124 H LEU 26 H LEU 26 -6.489 3.538 -5.200 125 HA LEU 26 HA LEU 26 -7.145 5.402 -3.031 126 HB3 LEU 26 2HB LEU 26 -6.233 3.531 -1.486 127 HG LEU 26 HG LEU 26 -8.920 4.042 -2.329 128 HD11 LEU 26 1HD1 LEU 26 -8.217 1.158 -1.850 129 HD12 LEU 26 2HD1 LEU 26 -9.077 1.854 -3.222 130 HD13 LEU 26 3HD1 LEU 26 -9.842 1.807 -1.634 131 HD21 LEU 26 3HD2 LEU 26 -7.733 2.857 0.178 132 HD22 LEU 26 1HD2 LEU 26 -9.389 3.441 0.012 133 HD23 LEU 26 2HD2 LEU 26 -8.039 4.567 -0.136 134 HA PRO 27 HA PRO 27 -2.734 5.790 -4.394 135 HB3 PRO 27 2HB PRO 27 -3.258 7.541 -5.784 136 HG3 PRO 27 2HG PRO 27 -5.171 8.817 -5.438 137 HD3 PRO 27 2HD PRO 27 -6.084 6.702 -5.349 Start of MODEL 2 1 H1 SER 1 H SER 1 -4.118 5.375 -2.196 2 HA SER 1 HA SER 1 -2.593 6.599 -0.019 3 HB3 SER 1 2HB SER 1 -4.338 8.017 -0.827 4 HG SER 1 HG SER 1 -6.591 6.939 -0.454 5 H CYS 2 H CYS 2 -1.859 4.836 1.131 6 HA CYS 2 HA CYS 2 -3.767 3.620 2.902 7 HB3 CYS 2 2HB CYS 2 -2.212 1.457 1.749 8 H GLY 3 H GLY 3 -2.846 3.045 4.813 9 HA2 GLY 3 2HA GLY 3 -0.047 3.734 5.160 10 HA3 GLY 3 3HA GLY 3 -1.198 3.365 6.435 11 H GLY 4 H GLY 4 0.085 1.915 7.533 12 HA2 GLY 4 2HA GLY 4 0.755 -0.230 8.059 13 HA3 GLY 4 3HA GLY 4 0.087 -0.765 6.523 14 H SER 5 H SER 5 2.541 -1.642 7.710 15 HA SER 5 HA SER 5 4.613 -0.401 6.064 16 HB3 SER 5 2HB SER 5 5.794 -0.778 7.941 17 HG SER 5 HG SER 5 4.197 -2.891 8.864 18 H CYS 6 H CYS 6 5.969 -1.646 4.685 19 HA CYS 6 HA CYS 6 4.522 -3.704 3.267 20 HB3 CYS 6 2HB CYS 6 6.838 -3.635 1.949 21 H PHE 7 H PHE 7 6.994 -3.533 5.649 22 HA PHE 7 HA PHE 7 8.162 -6.095 5.116 23 HB3 PHE 7 2HB PHE 7 8.298 -4.592 7.727 24 HD1 PHE 7 2HD PHE 7 10.230 -6.558 5.210 25 HD2 PHE 7 1HD PHE 7 9.611 -5.601 9.310 26 HE1 PHE 7 2HE PHE 7 11.932 -8.213 5.850 27 HE2 PHE 7 1HE PHE 7 11.313 -7.255 9.957 28 HZ PHE 7 HZ PHE 7 12.476 -8.565 8.226 29 H GLY 8 H GLY 8 5.320 -5.026 6.657 30 HA2 GLY 8 2HA GLY 8 4.915 -7.735 7.752 31 HA3 GLY 8 3HA GLY 8 4.500 -6.315 8.700 32 H GLY 9 H GLY 9 3.993 -6.213 5.282 33 HA2 GLY 9 2HA GLY 9 2.054 -6.629 4.027 34 HA3 GLY 9 3HA GLY 9 1.208 -7.040 5.511 35 H CYS 10 H CYS 10 0.947 -5.022 3.112 36 HA CYS 10 HA CYS 10 0.912 -2.441 4.242 37 HB3 CYS 10 2HB CYS 10 -0.899 -2.183 2.280 38 H TRP 11 H TRP 11 -1.303 -1.172 4.152 39 HA TRP 11 HA TRP 11 -2.773 -1.855 6.381 40 HB3 TRP 11 2HB TRP 11 -4.513 -0.453 4.614 41 HD1 TRP 11 HD TRP 11 -1.846 -0.006 7.374 42 HE1 TRP 11 1HE TRP 11 -2.767 1.652 9.114 43 HE3 TRP 11 3HE TRP 11 -6.186 1.315 5.019 44 HZ2 TRP 11 2HZ TRP 11 -5.034 3.301 9.444 45 HZ3 TRP 11 3HZ TRP 11 -7.677 2.937 6.114 46 HH2 TRP 11 HH TRP 11 -7.111 3.909 8.281 47 HA HYP 12 HA HYP 12 -5.753 -4.892 5.358 48 HB2 HYP 12 3HB HYP 12 -7.327 -4.745 7.003 49 HB3 HYP 12 2HB HYP 12 -7.949 -3.204 6.393 50 HG HYP 12 HG HYP 12 -7.056 -2.797 8.422 51 HD22 HYP 12 2HD2 HYP 12 -6.271 -1.292 6.756 52 HD23 HYP 12 3HD2 HYP 12 -4.765 -1.807 7.552 53 HD1 HYP 12 1HD HYP 12 -5.276 -4.862 7.743 54 H GLY 13 H GLY 13 -6.287 -5.306 3.335 55 HA2 GLY 13 2HA GLY 13 -7.819 -5.305 1.548 56 HA3 GLY 13 3HA GLY 13 -8.415 -3.743 2.089 57 H CYS 14 H CYS 14 -5.032 -3.920 1.990 58 HA CYS 14 HA CYS 14 -4.988 -2.657 -0.672 59 HB3 CYS 14 2HB CYS 14 -2.992 -1.335 0.313 60 H SER 15 H SER 15 -2.416 -2.405 -1.205 61 HA SER 15 HA SER 15 -1.081 -4.946 -0.629 62 HB3 SER 15 2HB SER 15 -0.901 -5.645 -2.823 63 HG SER 15 HG SER 15 -2.919 -5.707 -3.536 64 H CYS 16 H CYS 16 1.197 -4.944 -1.466 65 HA CYS 16 HA CYS 16 2.361 -2.291 -1.017 66 HB3 CYS 16 2HB CYS 16 3.645 -5.029 -0.919 67 H TYR 17 H TYR 17 3.799 -1.356 -2.432 68 HA TYR 17 HA TYR 17 4.726 -2.729 -4.780 69 HB3 TYR 17 2HB TYR 17 2.720 -0.485 -5.101 70 HD1 TYR 17 2HD TYR 17 4.098 -3.263 -7.185 71 HD2 TYR 17 1HD TYR 17 3.368 0.914 -6.825 72 HE1 TYR 17 2HE TYR 17 4.915 -2.927 -9.481 73 HE2 TYR 17 1HE TYR 17 4.182 1.261 -9.119 74 HH TYR 17 HH TYR 17 4.429 -1.004 -11.344 75 H ALA 18 H ALA 18 6.648 -1.924 -5.311 76 HA ALA 18 HA ALA 18 8.510 -0.608 -5.276 77 HB1 ALA 18 1HB ALA 18 7.997 1.877 -5.699 78 HB2 ALA 18 2HB ALA 18 7.506 0.701 -6.919 79 HB3 ALA 18 3HB ALA 18 6.314 1.362 -5.801 80 H ARG 19 H ARG 19 7.960 -1.379 -2.781 81 HA ARG 19 HA ARG 19 8.318 -0.917 -0.583 82 HB3 ARG 19 2HB ARG 19 9.573 1.437 -0.305 83 HG3 ARG 19 2HG ARG 19 11.674 0.118 -1.295 84 HD3 ARG 19 2HD ARG 19 11.192 -1.302 1.025 85 HE ARG 19 HE ARG 19 12.706 1.027 0.368 86 HH11 ARG 19 1HH1 ARG 19 11.588 -0.947 3.008 87 HH12 ARG 19 2HH1 ARG 19 12.888 -0.502 4.063 88 HH21 ARG 19 1HH2 ARG 19 14.423 1.621 1.747 89 HH22 ARG 19 2HH2 ARG 19 14.500 0.959 3.345 90 H THR 20 H THR 20 5.935 0.222 -2.095 91 HA THR 20 HA THR 20 5.081 2.056 0.039 92 HB THR 20 HB THR 20 3.823 2.566 -2.563 93 HG1 THR 20 1HG THR 20 5.565 3.231 -3.619 94 HG21 THR 20 3HG2 THR 20 4.201 3.874 -0.123 95 HG22 THR 20 1HG2 THR 20 3.426 4.523 -1.568 96 HG23 THR 20 2HG2 THR 20 5.146 4.794 -1.293 97 H CYS 21 H CYS 21 2.493 2.461 -0.674 98 HA CYS 21 HA CYS 21 1.351 -0.253 -0.789 99 HB3 CYS 21 2HB CYS 21 -0.497 0.770 0.689 100 H PHE 22 H PHE 22 -1.132 -0.065 -1.206 101 HA PHE 22 HA PHE 22 -1.957 2.128 -2.866 102 HB3 PHE 22 2HB PHE 22 -2.079 -0.425 -4.363 103 HD1 PHE 22 2HD PHE 22 -0.267 2.781 -4.875 104 HD2 PHE 22 1HD PHE 22 -3.524 0.291 -6.022 105 HE1 PHE 22 2HE PHE 22 -0.783 4.315 -6.729 106 HE2 PHE 22 1HE PHE 22 -4.044 1.821 -7.878 107 HZ PHE 22 HZ PHE 22 -2.674 3.836 -8.233 108 H ARG 23 H ARG 23 -4.166 2.182 -3.192 109 HA ARG 23 HA ARG 23 -5.691 0.009 -1.909 110 HB3 ARG 23 2HB ARG 23 -5.701 2.120 -0.613 111 HG3 ARG 23 2HG ARG 23 -6.338 3.284 -3.183 112 HD3 ARG 23 2HD ARG 23 -7.851 4.957 -1.646 113 HE ARG 23 HE ARG 23 -8.481 3.105 -3.757 114 HH11 ARG 23 1HH1 ARG 23 -9.734 5.504 -1.567 115 HH12 ARG 23 2HH1 ARG 23 -11.103 5.884 -2.559 116 HH21 ARG 23 1HH2 ARG 23 -10.279 3.596 -5.072 117 HH22 ARG 23 2HH2 ARG 23 -11.413 4.798 -4.552 118 H ASP 24 H ASP 24 -4.958 0.208 -4.708 119 HA ASP 24 HA ASP 24 -5.906 -0.194 -6.738 120 HB3 ASP 24 2HB ASP 24 -8.671 -0.233 -6.326 121 H GLY 25 H GLY 25 -6.311 1.153 -8.391 122 HA2 GLY 25 2HA GLY 25 -7.313 2.916 -9.549 123 HA3 GLY 25 3HA GLY 25 -8.118 3.403 -8.065 124 H LEU 26 H LEU 26 -6.118 3.835 -6.320 125 HA LEU 26 HA LEU 26 -3.990 5.379 -7.472 126 HB3 LEU 26 2HB LEU 26 -5.384 7.164 -7.745 127 HG LEU 26 HG LEU 26 -7.090 5.964 -5.683 128 HD11 LEU 26 1HD1 LEU 26 -8.136 8.262 -5.263 129 HD12 LEU 26 2HD1 LEU 26 -6.580 8.918 -5.765 130 HD13 LEU 26 3HD1 LEU 26 -6.675 7.847 -4.367 131 HD21 LEU 26 3HD2 LEU 26 -8.725 7.415 -7.154 132 HD22 LEU 26 1HD2 LEU 26 -8.051 5.900 -7.757 133 HD23 LEU 26 2HD2 LEU 26 -7.346 7.438 -8.256 134 HA PRO 27 HA PRO 27 -2.072 4.542 -3.615 135 HB3 PRO 27 2HB PRO 27 -0.156 5.471 -4.478 136 HG3 PRO 27 2HG PRO 27 -0.246 7.344 -5.853 137 HD3 PRO 27 2HD PRO 27 -1.815 6.015 -6.891 Start of MODEL 3 1 H1 SER 1 H SER 1 -4.383 5.315 -2.667 2 HA SER 1 HA SER 1 -3.786 6.925 -0.303 3 HB3 SER 1 2HB SER 1 -5.699 7.831 -1.186 4 HG SER 1 HG SER 1 -6.978 6.809 -2.569 5 H CYS 2 H CYS 2 -2.574 5.023 0.565 6 HA CYS 2 HA CYS 2 -4.254 3.608 2.425 7 HB3 CYS 2 2HB CYS 2 -2.505 1.726 0.965 8 H GLY 3 H GLY 3 -3.118 2.800 4.200 9 HA2 GLY 3 2HA GLY 3 -0.307 3.684 4.319 10 HA3 GLY 3 3HA GLY 3 -1.388 3.586 5.701 11 H GLY 4 H GLY 4 0.009 2.279 6.891 12 HA2 GLY 4 2HA GLY 4 0.434 0.140 7.722 13 HA3 GLY 4 3HA GLY 4 -0.164 -0.539 6.216 14 H SER 5 H SER 5 2.193 -1.347 7.620 15 HA SER 5 HA SER 5 4.411 -0.301 6.047 16 HB3 SER 5 2HB SER 5 5.458 -0.682 7.998 17 HG SER 5 HG SER 5 4.470 -1.823 9.679 18 H CYS 6 H CYS 6 5.836 -1.696 4.860 19 HA CYS 6 HA CYS 6 4.374 -3.778 3.448 20 HB3 CYS 6 2HB CYS 6 6.699 -3.737 2.147 21 H PHE 7 H PHE 7 6.810 -3.469 5.851 22 HA PHE 7 HA PHE 7 8.048 -6.014 5.443 23 HB3 PHE 7 2HB PHE 7 8.047 -4.435 8.012 24 HD1 PHE 7 2HD PHE 7 10.145 -6.396 5.628 25 HD2 PHE 7 1HD PHE 7 9.300 -5.385 9.675 26 HE1 PHE 7 2HE PHE 7 11.865 -7.988 6.381 27 HE2 PHE 7 1HE PHE 7 11.019 -6.975 10.435 28 HZ PHE 7 HZ PHE 7 12.302 -8.279 8.787 29 H GLY 8 H GLY 8 5.125 -4.986 6.858 30 HA2 GLY 8 2HA GLY 8 4.753 -7.678 8.004 31 HA3 GLY 8 3HA GLY 8 4.275 -6.249 8.907 32 H GLY 9 H GLY 9 3.875 -6.255 5.470 33 HA2 GLY 9 2HA GLY 9 1.984 -6.751 4.171 34 HA3 GLY 9 3HA GLY 9 1.100 -7.128 5.641 35 H CYS 10 H CYS 10 0.892 -5.193 3.164 36 HA CYS 10 HA CYS 10 0.769 -2.578 4.205 37 HB3 CYS 10 2HB CYS 10 -0.979 -2.422 2.176 38 H TRP 11 H TRP 11 -1.448 -1.346 4.025 39 HA TRP 11 HA TRP 11 -2.987 -2.004 6.216 40 HB3 TRP 11 2HB TRP 11 -4.678 -0.647 4.368 41 HD1 TRP 11 HD TRP 11 -2.131 -0.169 7.228 42 HE1 TRP 11 1HE TRP 11 -3.110 1.528 8.898 43 HE3 TRP 11 3HE TRP 11 -6.341 1.169 4.654 44 HZ2 TRP 11 2HZ TRP 11 -5.367 3.210 9.098 45 HZ3 TRP 11 3HZ TRP 11 -7.858 2.827 5.655 46 HH2 TRP 11 HH TRP 11 -7.380 3.825 7.831 47 HA HYP 12 HA HYP 12 -5.898 -5.090 5.140 48 HB2 HYP 12 3HB HYP 12 -7.520 -4.943 6.736 49 HB3 HYP 12 2HB HYP 12 -8.141 -3.415 6.091 50 HG HYP 12 HG HYP 12 -7.318 -2.987 8.142 51 HD22 HYP 12 2HD2 HYP 12 -6.507 -1.485 6.487 52 HD23 HYP 12 3HD2 HYP 12 -5.018 -1.970 7.333 53 HD1 HYP 12 1HD HYP 12 -5.489 -5.031 7.535 54 H GLY 13 H GLY 13 -6.361 -5.528 3.103 55 HA2 GLY 13 2HA GLY 13 -7.833 -5.565 1.269 56 HA3 GLY 13 3HA GLY 13 -8.476 -4.012 1.782 57 H CYS 14 H CYS 14 -5.077 -4.178 1.757 58 HA CYS 14 HA CYS 14 -4.984 -2.901 -0.896 59 HB3 CYS 14 2HB CYS 14 -3.035 -1.550 0.126 60 H SER 15 H SER 15 -2.402 -2.625 -1.364 61 HA SER 15 HA SER 15 -1.068 -5.161 -0.765 62 HB3 SER 15 2HB SER 15 -0.794 -5.820 -2.968 63 HG SER 15 HG SER 15 -3.124 -4.402 -3.544 64 H CYS 16 H CYS 16 1.238 -5.135 -1.546 65 HA CYS 16 HA CYS 16 2.372 -2.483 -1.021 66 HB3 CYS 16 2HB CYS 16 3.687 -5.206 -0.918 67 H TYR 17 H TYR 17 3.826 -1.514 -2.386 68 HA TYR 17 HA TYR 17 4.862 -2.860 -4.705 69 HB3 TYR 17 2HB TYR 17 2.828 -0.652 -5.087 70 HD1 TYR 17 1HD TYR 17 5.081 -3.090 -6.788 71 HD2 TYR 17 2HD TYR 17 2.764 0.463 -7.127 72 HE1 TYR 17 1HE TYR 17 5.975 -2.729 -9.051 73 HE2 TYR 17 2HE TYR 17 3.650 0.833 -9.390 74 HH TYR 17 HH TYR 17 4.818 -0.079 -11.083 75 H ALA 18 H ALA 18 6.785 -2.019 -5.166 76 HA ALA 18 HA ALA 18 8.619 -0.667 -5.076 77 HB1 ALA 18 1HB ALA 18 7.347 0.586 -6.716 78 HB2 ALA 18 2HB ALA 18 6.513 1.462 -5.432 79 HB3 ALA 18 3HB ALA 18 8.244 1.690 -5.673 80 H ARG 19 H ARG 19 7.994 -1.487 -2.604 81 HA ARG 19 HA ARG 19 8.283 -1.054 -0.390 82 HB3 ARG 19 2HB ARG 19 9.440 1.500 -0.308 83 HG3 ARG 19 2HG ARG 19 11.206 -0.833 -0.759 84 HD3 ARG 19 2HD ARG 19 12.027 0.131 1.515 85 HE ARG 19 HE ARG 19 12.621 2.078 -0.507 86 HH11 ARG 19 1HH1 ARG 19 13.145 -1.202 0.537 87 HH12 ARG 19 2HH1 ARG 19 14.649 -1.368 -0.306 88 HH21 ARG 19 1HH2 ARG 19 14.601 1.871 -1.621 89 HH22 ARG 19 2HH2 ARG 19 15.478 0.381 -1.532 90 H THR 20 H THR 20 5.938 0.089 -1.953 91 HA THR 20 HA THR 20 5.009 1.885 0.183 92 HB THR 20 HB THR 20 3.839 2.441 -2.452 93 HG1 THR 20 1HG THR 20 5.758 2.469 -3.392 94 HG21 THR 20 3HG2 THR 20 3.221 4.069 -1.003 95 HG22 THR 20 1HG2 THR 20 4.751 4.794 -1.495 96 HG23 THR 20 2HG2 THR 20 4.655 3.866 0.002 97 H CYS 21 H CYS 21 2.447 2.294 -0.589 98 HA CYS 21 HA CYS 21 1.317 -0.418 -0.816 99 HB3 CYS 21 2HB CYS 21 -0.568 0.526 0.648 100 H PHE 22 H PHE 22 -1.158 -0.220 -1.291 101 HA PHE 22 HA PHE 22 -1.939 2.021 -2.909 102 HB3 PHE 22 2HB PHE 22 -2.029 -0.485 -4.482 103 HD1 PHE 22 1HD PHE 22 -0.180 2.718 -4.847 104 HD2 PHE 22 2HD PHE 22 -3.423 0.294 -6.158 105 HE1 PHE 22 1HE PHE 22 -0.629 4.311 -6.667 106 HE2 PHE 22 2HE PHE 22 -3.878 1.884 -7.981 107 HZ PHE 22 HZ PHE 22 -2.481 3.895 -8.238 108 H ARG 23 H ARG 23 -4.138 2.099 -3.260 109 HA ARG 23 HA ARG 23 -5.698 -0.125 -2.116 110 HB3 ARG 23 2HB ARG 23 -5.697 1.933 -0.717 111 HG3 ARG 23 2HG ARG 23 -6.323 3.207 -3.225 112 HD3 ARG 23 2HD ARG 23 -8.629 2.876 -2.007 113 HE ARG 23 HE ARG 23 -7.421 4.291 -0.013 114 HH11 ARG 23 1HH1 ARG 23 -10.113 4.859 -2.146 115 HH12 ARG 23 2HH1 ARG 23 -10.970 5.852 -1.013 116 HH21 ARG 23 1HH2 ARG 23 -8.539 5.596 1.487 117 HH22 ARG 23 2HH2 ARG 23 -10.073 6.270 1.052 118 H ASP 24 H ASP 24 -4.905 0.271 -4.895 119 HA ASP 24 HA ASP 24 -5.818 0.000 -6.963 120 HB3 ASP 24 2HB ASP 24 -8.587 -0.103 -6.599 121 H GLY 25 H GLY 25 -6.130 1.495 -8.491 122 HA2 GLY 25 2HA GLY 25 -7.183 3.307 -9.549 123 HA3 GLY 25 3HA GLY 25 -7.997 3.689 -8.038 124 H LEU 26 H LEU 26 -6.019 4.025 -6.257 125 HA LEU 26 HA LEU 26 -3.885 5.643 -7.291 126 HB3 LEU 26 2HB LEU 26 -6.037 7.069 -7.281 127 HG LEU 26 HG LEU 26 -6.299 6.411 -4.661 128 HD11 LEU 26 1HD1 LEU 26 -5.764 8.872 -3.715 129 HD12 LEU 26 2HD1 LEU 26 -4.421 8.675 -4.840 130 HD13 LEU 26 3HD1 LEU 26 -4.669 7.500 -3.549 131 HD21 LEU 26 3HD2 LEU 26 -7.762 8.453 -4.538 132 HD22 LEU 26 1HD2 LEU 26 -8.057 7.396 -5.918 133 HD23 LEU 26 2HD2 LEU 26 -7.154 8.895 -6.134 134 HA PRO 27 HA PRO 27 -2.019 4.470 -3.494 135 HB3 PRO 27 2HB PRO 27 -0.047 5.276 -4.353 136 HG3 PRO 27 2HG PRO 27 -0.006 7.187 -5.676 137 HD3 PRO 27 2HD PRO 27 -1.681 6.008 -6.732 Start of MODEL 4 1 H1 SER 1 H SER 1 -4.246 4.754 -1.814 2 HA SER 1 HA SER 1 -4.238 6.467 0.537 3 HB3 SER 1 2HB SER 1 -6.053 6.592 -1.195 4 HG SER 1 HG SER 1 -7.705 4.867 -0.789 5 H CYS 2 H CYS 2 -2.945 3.760 0.458 6 HA CYS 2 HA CYS 2 -4.470 2.495 2.639 7 HB3 CYS 2 2HB CYS 2 -2.872 0.498 1.935 8 H GLY 3 H GLY 3 -3.614 2.739 4.589 9 HA2 GLY 3 2HA GLY 3 -1.040 3.850 5.017 10 HA3 GLY 3 3HA GLY 3 -2.094 3.181 6.254 11 H GLY 4 H GLY 4 -0.692 1.962 7.410 12 HA2 GLY 4 2HA GLY 4 0.688 0.206 7.934 13 HA3 GLY 4 3HA GLY 4 0.006 -0.594 6.525 14 H SER 5 H SER 5 2.501 -1.248 7.009 15 HA SER 5 HA SER 5 4.054 0.290 5.035 16 HB3 SER 5 2HB SER 5 5.770 -1.088 6.903 17 HG SER 5 HG SER 5 5.371 1.530 5.975 18 H CYS 6 H CYS 6 5.553 -0.910 3.775 19 HA CYS 6 HA CYS 6 4.613 -3.501 3.052 20 HB3 CYS 6 2HB CYS 6 6.912 -3.348 1.691 21 H PHE 7 H PHE 7 7.025 -2.326 5.211 22 HA PHE 7 HA PHE 7 8.582 -4.738 5.285 23 HB3 PHE 7 2HB PHE 7 8.544 -2.581 7.393 24 HD1 PHE 7 1HD PHE 7 9.307 -4.202 9.045 25 HD2 PHE 7 2HD PHE 7 11.429 -3.571 5.410 26 HE1 PHE 7 1HE PHE 7 11.262 -5.358 9.990 27 HE2 PHE 7 2HE PHE 7 13.388 -4.726 6.349 28 HZ PHE 7 HZ PHE 7 13.306 -5.623 8.641 29 H GLY 8 H GLY 8 5.646 -3.707 6.670 30 HA2 GLY 8 2HA GLY 8 5.687 -6.053 8.459 31 HA3 GLY 8 3HA GLY 8 5.094 -4.502 9.035 32 H GLY 9 H GLY 9 4.463 -5.340 5.749 33 HA2 GLY 9 2HA GLY 9 2.572 -6.332 4.773 34 HA3 GLY 9 3HA GLY 9 1.849 -6.473 6.369 35 H CYS 10 H CYS 10 1.075 -5.251 3.629 36 HA CYS 10 HA CYS 10 0.676 -2.473 4.165 37 HB3 CYS 10 2HB CYS 10 -1.068 -2.932 2.179 38 H TRP 11 H TRP 11 -1.650 -1.582 3.922 39 HA TRP 11 HA TRP 11 -3.099 -2.246 6.203 40 HB3 TRP 11 2HB TRP 11 -4.907 -1.111 4.329 41 HD1 TRP 11 HD TRP 11 -2.324 -0.257 7.073 42 HE1 TRP 11 1HE TRP 11 -3.402 1.434 8.688 43 HE3 TRP 11 3HE TRP 11 -6.724 0.541 4.594 44 HZ2 TRP 11 2HZ TRP 11 -5.801 2.908 8.884 45 HZ3 TRP 11 3HZ TRP 11 -8.356 2.106 5.562 46 HH2 TRP 11 HH TRP 11 -7.903 3.264 7.664 47 HA HYP 12 HA HYP 12 -5.756 -5.594 5.263 48 HB2 HYP 12 3HB HYP 12 -7.404 -5.497 6.837 49 HB3 HYP 12 2HB HYP 12 -8.135 -4.059 6.110 50 HG HYP 12 HG HYP 12 -7.360 -3.436 8.138 51 HD22 HYP 12 2HD2 HYP 12 -6.637 -1.976 6.406 52 HD23 HYP 12 3HD2 HYP 12 -5.126 -2.308 7.288 53 HD1 HYP 12 1HD HYP 12 -5.386 -5.378 7.659 54 H GLY 13 H GLY 13 -6.174 -6.182 3.257 55 HA2 GLY 13 2HA GLY 13 -7.627 -6.424 1.420 56 HA3 GLY 13 3HA GLY 13 -8.372 -4.888 1.835 57 H CYS 14 H CYS 14 -5.036 -4.622 1.933 58 HA CYS 14 HA CYS 14 -5.014 -3.437 -0.763 59 HB3 CYS 14 2HB CYS 14 -3.362 -1.884 0.001 60 H SER 15 H SER 15 -2.331 -3.134 -1.155 61 HA SER 15 HA SER 15 -1.058 -5.729 -0.799 62 HB3 SER 15 2HB SER 15 -1.096 -6.414 -2.961 63 HG SER 15 HG SER 15 -2.957 -4.836 -3.987 64 H CYS 16 H CYS 16 1.212 -5.720 -1.415 65 HA CYS 16 HA CYS 16 2.394 -3.086 -0.967 66 HB3 CYS 16 2HB CYS 16 3.633 -5.845 -0.903 67 H TYR 17 H TYR 17 3.629 -2.033 -2.423 68 HA TYR 17 HA TYR 17 4.765 -3.344 -4.713 69 HB3 TYR 17 2HB TYR 17 2.525 -1.354 -5.137 70 HD1 TYR 17 2HD TYR 17 4.187 -4.020 -7.150 71 HD2 TYR 17 1HD TYR 17 3.130 0.092 -6.849 72 HE1 TYR 17 2HE TYR 17 5.021 -3.644 -9.434 73 HE2 TYR 17 1HE TYR 17 3.960 0.478 -9.132 74 HH TYR 17 HH TYR 17 4.462 -1.836 -11.321 75 H ALA 18 H ALA 18 6.587 -2.331 -5.246 76 HA ALA 18 HA ALA 18 8.249 -0.778 -5.332 77 HB1 ALA 18 1HB ALA 18 7.063 0.557 -6.786 78 HB2 ALA 18 2HB ALA 18 5.796 0.900 -5.608 79 HB3 ALA 18 3HB ALA 18 7.373 1.674 -5.457 80 H ARG 19 H ARG 19 7.832 -1.793 -2.837 81 HA ARG 19 HA ARG 19 8.187 -1.442 -0.614 82 HB3 ARG 19 2HB ARG 19 9.729 0.437 -0.060 83 HG3 ARG 19 2HG ARG 19 11.447 -0.211 -2.017 84 HD3 ARG 19 2HD ARG 19 11.648 -0.684 0.411 85 HE ARG 19 HE ARG 19 9.669 -2.707 -0.125 86 HH11 ARG 19 1HH1 ARG 19 12.276 -1.706 1.954 87 HH12 ARG 19 2HH1 ARG 19 11.731 -2.643 3.307 88 HH21 ARG 19 1HH2 ARG 19 8.941 -3.945 1.648 89 HH22 ARG 19 2HH2 ARG 19 9.836 -3.916 3.130 90 H THR 20 H THR 20 5.774 -0.251 -1.913 91 HA THR 20 HA THR 20 4.955 1.367 0.358 92 HB THR 20 HB THR 20 4.295 2.485 -2.339 93 HG1 THR 20 1HG THR 20 6.291 3.096 -2.629 94 HG21 THR 20 3HG2 THR 20 3.134 3.765 -0.888 95 HG22 THR 20 1HG2 THR 20 4.686 4.561 -0.630 96 HG23 THR 20 2HG2 THR 20 4.144 3.304 0.482 97 H CYS 21 H CYS 21 2.585 1.814 0.305 98 HA CYS 21 HA CYS 21 1.197 -0.543 -0.715 99 HB3 CYS 21 2HB CYS 21 -0.668 0.262 0.758 100 H PHE 22 H PHE 22 -0.725 -0.418 -1.925 101 HA PHE 22 HA PHE 22 -1.690 2.112 -2.894 102 HB3 PHE 22 2HB PHE 22 -0.872 0.372 -5.142 103 HD1 PHE 22 1HD PHE 22 0.318 3.698 -4.014 104 HD2 PHE 22 2HD PHE 22 -2.132 1.520 -6.729 105 HE1 PHE 22 1HE PHE 22 -0.110 5.764 -5.280 106 HE2 PHE 22 2HE PHE 22 -2.563 3.582 -7.999 107 HZ PHE 22 HZ PHE 22 -1.551 5.707 -7.277 108 H ARG 23 H ARG 23 -3.735 1.973 -3.752 109 HA ARG 23 HA ARG 23 -4.879 -0.722 -4.042 110 HB3 ARG 23 2HB ARG 23 -5.569 0.127 -1.876 111 HG3 ARG 23 2HG ARG 23 -5.684 2.639 -3.147 112 HD3 ARG 23 2HD ARG 23 -8.218 2.421 -1.694 113 HE ARG 23 HE ARG 23 -7.138 4.243 -3.427 114 HH11 ARG 23 1HH1 ARG 23 -10.109 2.436 -3.253 115 HH12 ARG 23 2HH1 ARG 23 -11.045 3.646 -4.068 116 HH21 ARG 23 1HH2 ARG 23 -8.360 5.842 -4.499 117 HH22 ARG 23 2HH2 ARG 23 -10.048 5.583 -4.777 118 H ASP 24 H ASP 24 -3.916 1.293 -5.987 119 HA ASP 24 HA ASP 24 -4.515 2.034 -8.055 120 HB3 ASP 24 2HB ASP 24 -7.164 1.226 -8.443 121 H GLY 25 H GLY 25 -5.204 3.979 -8.749 122 HA2 GLY 25 2HA GLY 25 -6.659 5.812 -8.936 123 HA3 GLY 25 3HA GLY 25 -7.585 5.187 -7.580 124 H LEU 26 H LEU 26 -5.810 4.963 -5.581 125 HA LEU 26 HA LEU 26 -4.321 7.457 -5.365 126 HB3 LEU 26 2HB LEU 26 -5.423 8.240 -3.434 127 HG LEU 26 HG LEU 26 -7.494 7.357 -5.427 128 HD11 LEU 26 1HD1 LEU 26 -9.046 8.888 -4.247 129 HD12 LEU 26 2HD1 LEU 26 -7.883 8.993 -2.926 130 HD13 LEU 26 3HD1 LEU 26 -8.635 7.447 -3.316 131 HD21 LEU 26 3HD2 LEU 26 -6.966 10.192 -4.852 132 HD22 LEU 26 1HD2 LEU 26 -7.196 9.366 -6.394 133 HD23 LEU 26 2HD2 LEU 26 -5.628 9.308 -5.587 134 HA PRO 27 HA PRO 27 -1.533 4.997 -3.029 135 HB3 PRO 27 2HB PRO 27 -0.073 6.768 -3.139 136 HG3 PRO 27 2HG PRO 27 -0.835 8.961 -3.015 137 HD3 PRO 27 2HD PRO 27 -2.254 8.139 -4.635 Start of MODEL 5 1 H1 SER 1 H SER 1 -4.083 5.068 -2.055 2 HA SER 1 HA SER 1 -3.818 6.867 0.257 3 HB3 SER 1 2HB SER 1 -5.692 7.629 -0.875 4 HG SER 1 HG SER 1 -7.267 5.897 -1.638 5 H CYS 2 H CYS 2 -2.682 4.250 0.263 6 HA CYS 2 HA CYS 2 -4.329 2.998 2.359 7 HB3 CYS 2 2HB CYS 2 -2.550 1.141 0.989 8 H GLY 3 H GLY 3 -3.344 2.814 4.263 9 HA2 GLY 3 2HA GLY 3 -0.548 3.539 4.491 10 HA3 GLY 3 3HA GLY 3 -1.663 3.241 5.816 11 H GLY 4 H GLY 4 -0.375 1.873 6.992 12 HA2 GLY 4 2HA GLY 4 0.226 -0.276 7.633 13 HA3 GLY 4 3HA GLY 4 -0.250 -0.852 6.043 14 H SER 5 H SER 5 2.155 -1.412 7.676 15 HA SER 5 HA SER 5 4.295 -0.202 6.105 16 HB3 SER 5 2HB SER 5 5.303 -0.319 8.111 17 HG SER 5 HG SER 5 4.259 -2.189 9.560 18 H CYS 6 H CYS 6 5.522 -1.263 4.635 19 HA CYS 6 HA CYS 6 4.483 -3.627 3.453 20 HB3 CYS 6 2HB CYS 6 6.878 -3.439 2.275 21 H PHE 7 H PHE 7 6.811 -3.020 5.917 22 HA PHE 7 HA PHE 7 8.159 -5.553 5.677 23 HB3 PHE 7 2HB PHE 7 8.213 -3.728 8.077 24 HD1 PHE 7 2HD PHE 7 10.815 -5.156 5.855 25 HD2 PHE 7 1HD PHE 7 9.018 -5.178 9.713 26 HE1 PHE 7 2HE PHE 7 12.611 -6.622 6.680 27 HE2 PHE 7 1HE PHE 7 10.812 -6.643 10.544 28 HZ PHE 7 HZ PHE 7 12.611 -7.367 9.027 29 H GLY 8 H GLY 8 5.262 -4.448 7.085 30 HA2 GLY 8 2HA GLY 8 5.006 -7.008 8.530 31 HA3 GLY 8 3HA GLY 8 4.503 -5.500 9.279 32 H GLY 9 H GLY 9 4.025 -5.970 5.873 33 HA2 GLY 9 2HA GLY 9 2.112 -6.679 4.709 34 HA3 GLY 9 3HA GLY 9 1.271 -6.855 6.242 35 H CYS 10 H CYS 10 0.884 -5.334 3.544 36 HA CYS 10 HA CYS 10 0.729 -2.584 4.261 37 HB3 CYS 10 2HB CYS 10 -0.949 -2.711 2.174 38 H TRP 11 H TRP 11 -1.500 -1.444 3.910 39 HA TRP 11 HA TRP 11 -3.102 -1.937 6.101 40 HB3 TRP 11 2HB TRP 11 -4.750 -0.800 4.069 41 HD1 TRP 11 HD TRP 11 -2.326 0.032 6.961 42 HE1 TRP 11 1HE TRP 11 -3.430 1.825 8.440 43 HE3 TRP 11 3HE TRP 11 -6.499 0.941 4.153 44 HZ2 TRP 11 2HZ TRP 11 -5.763 3.415 8.419 45 HZ3 TRP 11 3HZ TRP 11 -8.118 2.613 4.952 46 HH2 TRP 11 HH TRP 11 -7.756 3.823 7.042 47 HA HYP 12 HA HYP 12 -5.903 -5.182 5.219 48 HB2 HYP 12 3HB HYP 12 -7.582 -4.931 6.743 49 HB3 HYP 12 2HB HYP 12 -8.213 -3.486 5.941 50 HG HYP 12 HG HYP 12 -7.466 -2.843 7.967 51 HD22 HYP 12 2HD2 HYP 12 -6.629 -1.483 6.205 52 HD23 HYP 12 3HD2 HYP 12 -5.159 -1.855 7.139 53 HD1 HYP 12 1HD HYP 12 -5.578 -4.892 7.612 54 H GLY 13 H GLY 13 -6.291 -5.819 3.220 55 HA2 GLY 13 2HA GLY 13 -7.703 -6.059 1.353 56 HA3 GLY 13 3HA GLY 13 -8.387 -4.477 1.695 57 H CYS 14 H CYS 14 -4.986 -4.586 1.793 58 HA CYS 14 HA CYS 14 -4.822 -3.574 -0.968 59 HB3 CYS 14 2HB CYS 14 -2.909 -2.107 0.029 60 H SER 15 H SER 15 -2.231 -3.280 -1.371 61 HA SER 15 HA SER 15 -0.840 -5.678 -0.443 62 HB3 SER 15 2HB SER 15 -1.090 -6.781 -2.375 63 HG SER 15 HG SER 15 -2.758 -6.181 -3.500 64 H CYS 16 H CYS 16 1.470 -5.662 -1.010 65 HA CYS 16 HA CYS 16 2.502 -2.924 -0.930 66 HB3 CYS 16 2HB CYS 16 3.855 -5.558 -0.309 67 H TYR 17 H TYR 17 3.137 -2.061 -2.783 68 HA TYR 17 HA TYR 17 4.648 -3.719 -4.673 69 HB3 TYR 17 2HB TYR 17 2.371 -1.871 -5.420 70 HD1 TYR 17 1HD TYR 17 4.161 -4.693 -7.074 71 HD2 TYR 17 2HD TYR 17 3.011 -0.601 -7.261 72 HE1 TYR 17 1HE TYR 17 5.044 -4.557 -9.366 73 HE2 TYR 17 2HE TYR 17 3.890 -0.453 -9.553 74 HH TYR 17 HH TYR 17 5.835 -2.910 -10.938 75 H ALA 18 H ALA 18 6.448 -2.770 -5.394 76 HA ALA 18 HA ALA 18 8.054 -1.208 -5.803 77 HB1 ALA 18 1HB ALA 18 7.440 0.849 -6.656 78 HB2 ALA 18 2HB ALA 18 5.995 -0.121 -6.947 79 HB3 ALA 18 3HB ALA 18 6.048 0.996 -5.583 80 H ARG 19 H ARG 19 7.843 -2.069 -3.218 81 HA ARG 19 HA ARG 19 8.394 -1.584 -1.062 82 HB3 ARG 19 2HB ARG 19 9.611 1.018 -1.661 83 HG3 ARG 19 2HG ARG 19 10.882 -1.563 -0.782 84 HD3 ARG 19 2HD ARG 19 12.392 0.217 -1.640 85 HE ARG 19 HE ARG 19 10.853 1.956 -0.075 86 HH11 ARG 19 1HH1 ARG 19 14.189 1.261 -0.788 87 HH12 ARG 19 2HH1 ARG 19 14.723 2.884 -0.501 88 HH21 ARG 19 1HH2 ARG 19 11.545 4.097 0.305 89 HH22 ARG 19 2HH2 ARG 19 13.220 4.495 0.122 90 H THR 20 H THR 20 5.887 -0.433 -2.249 91 HA THR 20 HA THR 20 5.250 1.296 -0.004 92 HB THR 20 HB THR 20 4.412 2.304 -2.695 93 HG1 THR 20 1HG THR 20 6.311 3.302 -3.010 94 HG21 THR 20 3HG2 THR 20 4.717 4.488 -1.327 95 HG22 THR 20 1HG2 THR 20 4.740 3.414 0.070 96 HG23 THR 20 2HG2 THR 20 3.329 3.454 -0.988 97 H CYS 21 H CYS 21 2.886 1.773 0.093 98 HA CYS 21 HA CYS 21 1.403 -0.603 -0.736 99 HB3 CYS 21 2HB CYS 21 -0.351 0.332 0.833 100 H PHE 22 H PHE 22 -0.809 -0.363 -1.543 101 HA PHE 22 HA PHE 22 -1.601 2.151 -2.696 102 HB3 PHE 22 2HB PHE 22 -1.386 0.053 -4.773 103 HD1 PHE 22 1HD PHE 22 0.233 3.357 -4.225 104 HD2 PHE 22 2HD PHE 22 -2.646 1.101 -6.401 105 HE1 PHE 22 1HE PHE 22 -0.165 5.290 -5.695 106 HE2 PHE 22 2HE PHE 22 -3.047 3.029 -7.875 107 HZ PHE 22 HZ PHE 22 -1.806 5.127 -7.524 108 H ARG 23 H ARG 23 -3.760 2.205 -3.241 109 HA ARG 23 HA ARG 23 -5.265 -0.284 -2.759 110 HB3 ARG 23 2HB ARG 23 -5.478 1.521 -0.996 111 HG3 ARG 23 2HG ARG 23 -5.922 3.209 -3.153 112 HD3 ARG 23 2HD ARG 23 -8.355 2.093 -2.718 113 HE ARG 23 HE ARG 23 -8.099 3.820 -0.539 114 HH11 ARG 23 1HH1 ARG 23 -10.281 3.208 -3.182 115 HH12 ARG 23 2HH1 ARG 23 -11.681 3.765 -2.326 116 HH21 ARG 23 1HH2 ARG 23 -9.934 4.556 0.598 117 HH22 ARG 23 2HH2 ARG 23 -11.483 4.532 -0.177 118 H ASP 24 H ASP 24 -4.228 1.011 -5.273 119 HA ASP 24 HA ASP 24 -4.914 1.206 -7.434 120 HB3 ASP 24 2HB ASP 24 -7.627 0.552 -7.475 121 H GLY 25 H GLY 25 -5.372 3.015 -8.516 122 HA2 GLY 25 2HA GLY 25 -6.657 4.866 -9.173 123 HA3 GLY 25 3HA GLY 25 -7.665 4.644 -7.752 124 H LEU 26 H LEU 26 -5.798 4.671 -5.730 125 HA LEU 26 HA LEU 26 -4.244 7.118 -6.025 126 HB3 LEU 26 2HB LEU 26 -5.256 8.273 -4.239 127 HG LEU 26 HG LEU 26 -7.425 7.081 -5.947 128 HD11 LEU 26 1HD1 LEU 26 -8.232 7.708 -3.634 129 HD12 LEU 26 2HD1 LEU 26 -9.020 8.525 -4.983 130 HD13 LEU 26 3HD1 LEU 26 -7.797 9.370 -4.034 131 HD21 LEU 26 3HD2 LEU 26 -7.128 8.859 -7.290 132 HD22 LEU 26 1HD2 LEU 26 -5.535 8.932 -6.535 133 HD23 LEU 26 2HD2 LEU 26 -6.839 9.961 -5.943 134 HA PRO 27 HA PRO 27 -1.419 5.049 -3.375 135 HB3 PRO 27 2HB PRO 27 0.069 6.733 -3.852 136 HG3 PRO 27 2HG PRO 27 -0.646 8.932 -4.099 137 HD3 PRO 27 2HD PRO 27 -2.140 7.870 -5.496 Start of MODEL 6 1 H1 SER 1 H SER 1 -4.288 5.072 -1.906 2 HA SER 1 HA SER 1 -4.084 6.847 0.432 3 HB3 SER 1 2HB SER 1 -5.987 7.557 -0.688 4 HG SER 1 HG SER 1 -7.394 5.406 -1.271 5 H CYS 2 H CYS 2 -2.854 4.274 0.400 6 HA CYS 2 HA CYS 2 -4.455 2.930 2.475 7 HB3 CYS 2 2HB CYS 2 -2.608 1.162 1.078 8 H GLY 3 H GLY 3 -3.464 2.750 4.376 9 HA2 GLY 3 2HA GLY 3 -0.696 3.576 4.619 10 HA3 GLY 3 3HA GLY 3 -1.799 3.213 5.938 11 H GLY 4 H GLY 4 -0.455 1.879 7.090 12 HA2 GLY 4 2HA GLY 4 0.228 -0.256 7.696 13 HA3 GLY 4 3HA GLY 4 -0.230 -0.824 6.098 14 H SER 5 H SER 5 2.200 -1.314 7.721 15 HA SER 5 HA SER 5 4.287 -0.003 6.160 16 HB3 SER 5 2HB SER 5 5.305 -0.107 8.162 17 HG SER 5 HG SER 5 3.745 -2.275 9.066 18 H CYS 6 H CYS 6 5.551 -0.998 4.674 19 HA CYS 6 HA CYS 6 4.599 -3.383 3.462 20 HB3 CYS 6 2HB CYS 6 6.985 -3.092 2.285 21 H PHE 7 H PHE 7 6.906 -2.725 5.934 22 HA PHE 7 HA PHE 7 8.344 -5.203 5.659 23 HB3 PHE 7 2HB PHE 7 8.337 -3.409 8.081 24 HD1 PHE 7 2HD PHE 7 10.686 -5.150 5.756 25 HD2 PHE 7 1HD PHE 7 9.496 -4.413 9.776 26 HE1 PHE 7 2HE PHE 7 12.536 -6.560 6.559 27 HE2 PHE 7 1HE PHE 7 11.345 -5.821 10.585 28 HZ PHE 7 HZ PHE 7 12.866 -6.898 8.976 29 H GLY 8 H GLY 8 5.412 -4.221 7.085 30 HA2 GLY 8 2HA GLY 8 5.252 -6.806 8.497 31 HA3 GLY 8 3HA GLY 8 4.695 -5.328 9.265 32 H GLY 9 H GLY 9 4.228 -5.770 5.855 33 HA2 GLY 9 2HA GLY 9 2.341 -6.534 4.683 34 HA3 GLY 9 3HA GLY 9 1.510 -6.762 6.215 35 H CYS 10 H CYS 10 1.057 -5.222 3.539 36 HA CYS 10 HA CYS 10 0.803 -2.489 4.293 37 HB3 CYS 10 2HB CYS 10 -0.870 -2.650 2.204 38 H TRP 11 H TRP 11 -1.466 -1.427 3.962 39 HA TRP 11 HA TRP 11 -3.046 -2.010 6.145 40 HB3 TRP 11 2HB TRP 11 -4.736 -0.905 4.133 41 HD1 TRP 11 HD TRP 11 -2.340 -0.025 7.033 42 HE1 TRP 11 1HE TRP 11 -3.509 1.704 8.539 43 HE3 TRP 11 3HE TRP 11 -6.551 0.765 4.244 44 HZ2 TRP 11 2HZ TRP 11 -5.900 3.205 8.544 45 HZ3 TRP 11 3HZ TRP 11 -8.230 2.363 5.070 46 HH2 TRP 11 HH TRP 11 -7.910 3.557 7.176 47 HA HYP 12 HA HYP 12 -5.726 -5.343 5.218 48 HB2 HYP 12 3HB HYP 12 -7.411 -5.177 6.745 49 HB3 HYP 12 2HB HYP 12 -8.097 -3.744 5.965 50 HG HYP 12 HG HYP 12 -7.372 -3.104 8.001 51 HD22 HYP 12 2HD2 HYP 12 -6.586 -1.689 6.258 52 HD23 HYP 12 3HD2 HYP 12 -5.105 -2.020 7.186 53 HD1 HYP 12 1HD HYP 12 -5.410 -5.077 7.614 54 H GLY 13 H GLY 13 -6.093 -5.964 3.211 55 HA2 GLY 13 2HA GLY 13 -7.497 -6.229 1.340 56 HA3 GLY 13 3HA GLY 13 -8.239 -4.678 1.705 57 H CYS 14 H CYS 14 -4.835 -4.667 1.799 58 HA CYS 14 HA CYS 14 -4.711 -3.606 -0.946 59 HB3 CYS 14 2HB CYS 14 -2.850 -2.087 0.074 60 H SER 15 H SER 15 -2.134 -3.213 -1.346 61 HA SER 15 HA SER 15 -0.655 -5.573 -0.457 62 HB3 SER 15 2HB SER 15 -0.886 -6.656 -2.403 63 HG SER 15 HG SER 15 -1.973 -4.612 -3.911 64 H CYS 16 H CYS 16 1.651 -5.463 -1.014 65 HA CYS 16 HA CYS 16 2.582 -2.691 -0.902 66 HB3 CYS 16 2HB CYS 16 4.030 -5.283 -0.319 67 H TYR 17 H TYR 17 3.193 -1.776 -2.739 68 HA TYR 17 HA TYR 17 4.757 -3.352 -4.655 69 HB3 TYR 17 2HB TYR 17 2.411 -1.580 -5.374 70 HD1 TYR 17 1HD TYR 17 4.785 -4.065 -6.864 71 HD2 TYR 17 2HD TYR 17 2.520 -0.504 -7.402 72 HE1 TYR 17 1HE TYR 17 5.660 -3.861 -9.154 73 HE2 TYR 17 2HE TYR 17 3.388 -0.291 -9.693 74 HH TYR 17 HH TYR 17 5.375 -2.803 -11.146 75 H ALA 18 H ALA 18 6.520 -2.325 -5.362 76 HA ALA 18 HA ALA 18 8.067 -0.698 -5.750 77 HB1 ALA 18 1HB ALA 18 6.063 0.325 -6.947 78 HB2 ALA 18 2HB ALA 18 5.886 1.354 -5.524 79 HB3 ALA 18 3HB ALA 18 7.367 1.418 -6.480 80 H ARG 19 H ARG 19 7.889 -1.603 -3.177 81 HA ARG 19 HA ARG 19 8.422 -1.128 -1.015 82 HB3 ARG 19 2HB ARG 19 9.813 1.059 -0.781 83 HG3 ARG 19 2HG ARG 19 11.142 -0.622 -2.802 84 HD3 ARG 19 2HD ARG 19 11.873 1.039 -0.680 85 HE ARG 19 HE ARG 19 12.112 -0.438 1.051 86 HH11 ARG 19 1HH1 ARG 19 13.174 -1.957 -1.896 87 HH12 ARG 19 2HH1 ARG 19 13.808 -3.358 -1.097 88 HH21 ARG 19 1HH2 ARG 19 12.944 -2.278 2.112 89 HH22 ARG 19 2HH2 ARG 19 13.676 -3.540 1.182 90 H THR 20 H THR 20 5.875 -0.055 -2.184 91 HA THR 20 HA THR 20 5.175 1.618 0.085 92 HB THR 20 HB THR 20 4.299 2.632 -2.592 93 HG1 THR 20 1HG THR 20 6.148 3.991 -2.611 94 HG21 THR 20 3HG2 THR 20 4.193 3.473 0.187 95 HG22 THR 20 1HG2 THR 20 3.252 4.032 -1.195 96 HG23 THR 20 2HG2 THR 20 4.838 4.731 -0.866 97 H CYS 21 H CYS 21 2.797 2.005 0.188 98 HA CYS 21 HA CYS 21 1.401 -0.413 -0.674 99 HB3 CYS 21 2HB CYS 21 -0.386 0.435 0.910 100 H PHE 22 H PHE 22 -0.820 -0.242 -1.476 101 HA PHE 22 HA PHE 22 -1.705 2.257 -2.592 102 HB3 PHE 22 2HB PHE 22 -1.416 0.197 -4.698 103 HD1 PHE 22 1HD PHE 22 0.081 3.550 -4.107 104 HD2 PHE 22 2HD PHE 22 -2.718 1.220 -6.310 105 HE1 PHE 22 1HE PHE 22 -0.390 5.487 -5.551 106 HE2 PHE 22 2HE PHE 22 -3.194 3.152 -7.757 107 HZ PHE 22 HZ PHE 22 -2.028 5.289 -7.378 108 H ARG 23 H ARG 23 -3.866 2.241 -3.131 109 HA ARG 23 HA ARG 23 -5.279 -0.307 -2.682 110 HB3 ARG 23 2HB ARG 23 -5.554 1.463 -0.894 111 HG3 ARG 23 2HG ARG 23 -6.061 3.164 -3.028 112 HD3 ARG 23 2HD ARG 23 -8.547 3.289 -1.456 113 HE ARG 23 HE ARG 23 -7.696 4.089 -4.088 114 HH11 ARG 23 1HH1 ARG 23 -10.419 3.509 -1.998 115 HH12 ARG 23 2HH1 ARG 23 -11.487 4.547 -2.884 116 HH21 ARG 23 1HH2 ARG 23 -9.091 5.459 -5.262 117 HH22 ARG 23 2HH2 ARG 23 -10.730 5.656 -4.741 118 H ASP 24 H ASP 24 -4.293 1.058 -5.180 119 HA ASP 24 HA ASP 24 -4.989 1.255 -7.338 120 HB3 ASP 24 2HB ASP 24 -7.676 0.507 -7.385 121 H GLY 25 H GLY 25 -5.512 3.064 -8.393 122 HA2 GLY 25 2HA GLY 25 -6.863 4.875 -9.024 123 HA3 GLY 25 3HA GLY 25 -7.861 4.598 -7.605 124 H LEU 26 H LEU 26 -5.994 4.666 -5.585 125 HA LEU 26 HA LEU 26 -4.527 7.170 -5.848 126 HB3 LEU 26 2HB LEU 26 -5.578 8.264 -4.048 127 HG LEU 26 HG LEU 26 -7.706 7.017 -5.767 128 HD11 LEU 26 1HD1 LEU 26 -9.384 8.126 -4.693 129 HD12 LEU 26 2HD1 LEU 26 -8.305 9.358 -4.039 130 HD13 LEU 26 3HD1 LEU 26 -8.348 7.751 -3.314 131 HD21 LEU 26 3HD2 LEU 26 -5.882 8.961 -6.311 132 HD22 LEU 26 1HD2 LEU 26 -7.251 9.913 -5.739 133 HD23 LEU 26 2HD2 LEU 26 -7.454 8.805 -7.097 134 HA PRO 27 HA PRO 27 -1.628 5.167 -3.230 135 HB3 PRO 27 2HB PRO 27 -0.200 6.909 -3.684 136 HG3 PRO 27 2HG PRO 27 -0.993 9.084 -3.901 137 HD3 PRO 27 2HD PRO 27 -2.450 7.989 -5.312 Start of MODEL 7 1 H1 SER 1 H SER 1 -3.575 5.529 -1.004 2 HA SER 1 HA SER 1 -2.519 7.326 1.022 3 HB3 SER 1 2HB SER 1 -4.714 8.292 0.128 4 HG SER 1 HG SER 1 -6.311 6.939 0.095 5 H CYS 2 H CYS 2 -2.362 4.458 0.253 6 HA CYS 2 HA CYS 2 -3.752 3.021 2.331 7 HB3 CYS 2 2HB CYS 2 -2.242 1.112 1.475 8 H GLY 3 H GLY 3 -3.102 3.349 4.368 9 HA2 GLY 3 2HA GLY 3 -0.464 4.081 5.110 10 HA3 GLY 3 3HA GLY 3 -1.737 3.558 6.205 11 H GLY 4 H GLY 4 -0.655 2.148 7.481 12 HA2 GLY 4 2HA GLY 4 0.373 0.197 8.115 13 HA3 GLY 4 3HA GLY 4 -0.218 -0.474 6.602 14 H SER 5 H SER 5 2.123 -1.411 7.490 15 HA SER 5 HA SER 5 4.130 -0.046 5.815 16 HB3 SER 5 2HB SER 5 5.370 -1.830 7.684 17 HG SER 5 HG SER 5 5.580 0.830 8.223 18 H CYS 6 H CYS 6 5.541 -1.339 4.582 19 HA CYS 6 HA CYS 6 4.341 -3.670 3.482 20 HB3 CYS 6 2HB CYS 6 6.793 -3.784 2.429 21 H PHE 7 H PHE 7 6.576 -3.115 6.042 22 HA PHE 7 HA PHE 7 7.690 -5.771 6.035 23 HB3 PHE 7 2HB PHE 7 7.792 -3.804 8.317 24 HD1 PHE 7 1HD PHE 7 10.235 -5.758 6.300 25 HD2 PHE 7 2HD PHE 7 8.493 -5.059 10.121 26 HE1 PHE 7 1HE PHE 7 11.840 -7.323 7.315 27 HE2 PHE 7 2HE PHE 7 10.096 -6.623 11.141 28 HZ PHE 7 HZ PHE 7 11.773 -7.757 9.738 29 H GLY 8 H GLY 8 4.840 -4.316 7.196 30 HA2 GLY 8 2HA GLY 8 4.271 -6.735 8.786 31 HA3 GLY 8 3HA GLY 8 3.864 -5.140 9.400 32 H GLY 9 H GLY 9 3.535 -5.760 6.010 33 HA2 GLY 9 2HA GLY 9 1.641 -6.376 4.766 34 HA3 GLY 9 3HA GLY 9 0.705 -6.415 6.253 35 H CYS 10 H CYS 10 0.533 -5.018 3.488 36 HA CYS 10 HA CYS 10 0.547 -2.224 4.105 37 HB3 CYS 10 2HB CYS 10 -0.936 -2.310 1.873 38 H TRP 11 H TRP 11 -1.541 -0.939 3.567 39 HA TRP 11 HA TRP 11 -3.381 -1.321 5.594 40 HB3 TRP 11 2HB TRP 11 -4.724 -0.024 3.441 41 HD1 TRP 11 HD TRP 11 -2.535 0.554 6.570 42 HE1 TRP 11 1HE TRP 11 -3.616 2.424 7.969 43 HE3 TRP 11 3HE TRP 11 -6.306 1.876 3.381 44 HZ2 TRP 11 2HZ TRP 11 -5.781 4.221 7.751 45 HZ3 TRP 11 3HZ TRP 11 -7.839 3.679 4.053 46 HH2 TRP 11 HH TRP 11 -7.581 4.826 6.193 47 HA HYP 12 HA HYP 12 -6.330 -4.315 4.373 48 HB2 HYP 12 3HB HYP 12 -8.123 -3.952 5.735 49 HB3 HYP 12 2HB HYP 12 -8.557 -2.448 4.910 50 HG HYP 12 HG HYP 12 -7.971 -1.912 7.015 51 HD22 HYP 12 2HD2 HYP 12 -6.866 -0.588 5.378 52 HD23 HYP 12 3HD2 HYP 12 -5.527 -1.088 6.438 53 HD1 HYP 12 1HD HYP 12 -6.216 -4.094 6.791 54 H GLY 13 H GLY 13 -6.562 -4.881 2.329 55 HA2 GLY 13 2HA GLY 13 -7.795 -4.979 0.327 56 HA3 GLY 13 3HA GLY 13 -8.396 -3.358 0.644 57 H CYS 14 H CYS 14 -5.103 -3.432 1.164 58 HA CYS 14 HA CYS 14 -4.609 -2.334 -1.521 59 HB3 CYS 14 2HB CYS 14 -2.844 -0.999 -0.541 60 H SER 15 H SER 15 -1.885 -2.334 -1.581 61 HA SER 15 HA SER 15 -0.937 -5.024 -1.014 62 HB3 SER 15 2HB SER 15 -0.827 -5.807 -3.139 63 HG SER 15 HG SER 15 -2.754 -5.436 -3.855 64 H CYS 16 H CYS 16 1.373 -5.266 -1.380 65 HA CYS 16 HA CYS 16 2.764 -2.736 -0.923 66 HB3 CYS 16 2HB CYS 16 3.707 -5.592 -0.582 67 H TYR 17 H TYR 17 3.011 -1.868 -2.955 68 HA TYR 17 HA TYR 17 4.639 -3.442 -4.843 69 HB3 TYR 17 2HB TYR 17 2.612 -1.277 -5.445 70 HD1 TYR 17 2HD TYR 17 4.577 -3.976 -7.142 71 HD2 TYR 17 1HD TYR 17 3.015 -0.022 -7.326 72 HE1 TYR 17 2HE TYR 17 5.556 -3.700 -9.382 73 HE2 TYR 17 1HE TYR 17 3.989 0.264 -9.568 74 HH TYR 17 HH TYR 17 4.687 -1.296 -11.483 75 H ALA 18 H ALA 18 6.572 -2.652 -5.378 76 HA ALA 18 HA ALA 18 8.395 -1.294 -5.475 77 HB1 ALA 18 1HB ALA 18 8.006 1.089 -5.983 78 HB2 ALA 18 2HB ALA 18 7.050 0.011 -7.001 79 HB3 ALA 18 3HB ALA 18 6.289 0.857 -5.653 80 H ARG 19 H ARG 19 7.906 -2.155 -2.976 81 HA ARG 19 HA ARG 19 8.214 -1.747 -0.754 82 HB3 ARG 19 2HB ARG 19 9.901 0.072 -0.264 83 HG3 ARG 19 2HG ARG 19 10.479 -2.067 -2.276 84 HD3 ARG 19 2HD ARG 19 12.228 0.150 -1.367 85 HE ARG 19 HE ARG 19 13.054 -2.572 -1.071 86 HH11 ARG 19 1HH1 ARG 19 14.110 0.619 -1.975 87 HH12 ARG 19 2HH1 ARG 19 15.772 0.321 -1.587 88 HH21 ARG 19 1HH2 ARG 19 15.239 -2.977 -0.557 89 HH22 ARG 19 2HH2 ARG 19 16.413 -1.725 -0.781 90 H THR 20 H THR 20 5.901 -0.491 -2.027 91 HA THR 20 HA THR 20 5.317 1.436 0.077 92 HB THR 20 HB THR 20 4.522 2.231 -2.696 93 HG1 THR 20 1HG THR 20 6.460 3.231 -3.029 94 HG21 THR 20 3HG2 THR 20 3.594 3.840 -1.447 95 HG22 THR 20 1HG2 THR 20 5.231 4.453 -1.214 96 HG23 THR 20 2HG2 THR 20 4.515 3.371 -0.018 97 H CYS 21 H CYS 21 2.968 2.031 0.085 98 HA CYS 21 HA CYS 21 1.384 -0.332 -0.633 99 HB3 CYS 21 2HB CYS 21 -0.287 0.693 0.993 100 H PHE 22 H PHE 22 -0.266 -0.237 -2.040 101 HA PHE 22 HA PHE 22 -1.557 2.246 -2.718 102 HB3 PHE 22 2HB PHE 22 -0.093 0.814 -4.935 103 HD1 PHE 22 1HD PHE 22 -1.771 3.918 -3.769 104 HD2 PHE 22 2HD PHE 22 -0.514 1.564 -7.086 105 HE1 PHE 22 1HE PHE 22 -2.966 5.435 -5.294 106 HE2 PHE 22 2HE PHE 22 -1.706 3.078 -8.616 107 HZ PHE 22 HZ PHE 22 -2.934 5.017 -7.720 108 H ARG 23 H ARG 23 -3.514 1.954 -3.781 109 HA ARG 23 HA ARG 23 -4.275 -0.816 -4.405 110 HB3 ARG 23 2HB ARG 23 -5.081 -0.099 -2.125 111 HG3 ARG 23 2HG ARG 23 -5.961 2.191 -3.502 112 HD3 ARG 23 2HD ARG 23 -8.003 1.049 -4.101 113 HE ARG 23 HE ARG 23 -8.601 -0.627 -2.658 114 HH11 ARG 23 1HH1 ARG 23 -8.094 2.311 -0.860 115 HH12 ARG 23 2HH1 ARG 23 -8.711 1.663 0.624 116 HH21 ARG 23 1HH2 ARG 23 -9.416 -1.490 -0.711 117 HH22 ARG 23 2HH2 ARG 23 -9.462 -0.500 0.708 118 H ASP 24 H ASP 24 -3.597 1.732 -5.925 119 HA ASP 24 HA ASP 24 -4.236 2.709 -7.877 120 HB3 ASP 24 2HB ASP 24 -6.489 1.411 -8.794 121 H GLY 25 H GLY 25 -5.127 4.658 -7.890 122 HA2 GLY 25 2HA GLY 25 -6.894 6.195 -7.941 123 HA3 GLY 25 3HA GLY 25 -7.947 4.973 -7.243 124 H LEU 26 H LEU 26 -6.423 4.289 -4.992 125 HA LEU 26 HA LEU 26 -6.647 6.775 -3.432 126 HB3 LEU 26 2HB LEU 26 -6.705 4.917 -1.528 127 HG LEU 26 HG LEU 26 -8.765 6.371 -2.846 128 HD11 LEU 26 1HD1 LEU 26 -9.603 3.588 -2.047 129 HD12 LEU 26 2HD1 LEU 26 -9.474 4.165 -3.709 130 HD13 LEU 26 3HD1 LEU 26 -10.648 4.892 -2.613 131 HD21 LEU 26 3HD2 LEU 26 -8.250 5.178 -0.166 132 HD22 LEU 26 1HD2 LEU 26 -9.868 5.777 -0.536 133 HD23 LEU 26 2HD2 LEU 26 -8.482 6.865 -0.627 134 HA PRO 27 HA PRO 27 -2.144 5.841 -3.384 135 HB3 PRO 27 2HB PRO 27 -1.765 7.583 -4.834 136 HG3 PRO 27 2HG PRO 27 -3.266 9.350 -5.005 137 HD3 PRO 27 2HD PRO 27 -4.719 7.573 -5.212 Start of MODEL 8 1 H1 SER 1 H SER 1 -3.929 5.006 -2.555 2 HA SER 1 HA SER 1 -3.219 6.897 -0.407 3 HB3 SER 1 2HB SER 1 -5.033 7.876 -1.602 4 HG SER 1 HG SER 1 -7.030 6.491 -1.756 5 H CYS 2 H CYS 2 -2.216 4.763 0.348 6 HA CYS 2 HA CYS 2 -4.072 3.567 2.243 7 HB3 CYS 2 2HB CYS 2 -2.330 1.611 0.848 8 H GLY 3 H GLY 3 -3.121 2.968 4.145 9 HA2 GLY 3 2HA GLY 3 -0.321 3.753 4.457 10 HA3 GLY 3 3HA GLY 3 -1.476 3.485 5.755 11 H GLY 4 H GLY 4 -0.160 2.115 6.935 12 HA2 GLY 4 2HA GLY 4 0.409 -0.030 7.607 13 HA3 GLY 4 3HA GLY 4 -0.173 -0.631 6.061 14 H SER 5 H SER 5 2.240 -1.377 7.486 15 HA SER 5 HA SER 5 4.388 -0.230 5.879 16 HB3 SER 5 2HB SER 5 5.471 -0.518 7.828 17 HG SER 5 HG SER 5 4.117 -0.914 9.374 18 H CYS 6 H CYS 6 5.865 -1.569 4.693 19 HA CYS 6 HA CYS 6 4.496 -3.733 3.321 20 HB3 CYS 6 2HB CYS 6 6.814 -3.632 2.022 21 H PHE 7 H PHE 7 6.903 -3.307 5.733 22 HA PHE 7 HA PHE 7 8.239 -5.808 5.366 23 HB3 PHE 7 2HB PHE 7 8.154 -4.200 7.916 24 HD1 PHE 7 1HD PHE 7 10.224 -6.246 5.592 25 HD2 PHE 7 2HD PHE 7 9.546 -4.949 9.588 26 HE1 PHE 7 1HE PHE 7 11.993 -7.764 6.380 27 HE2 PHE 7 2HE PHE 7 11.314 -6.465 10.384 28 HZ PHE 7 HZ PHE 7 12.541 -7.874 8.778 29 H GLY 8 H GLY 8 5.266 -4.873 6.745 30 HA2 GLY 8 2HA GLY 8 4.982 -7.568 7.911 31 HA3 GLY 8 3HA GLY 8 4.452 -6.150 8.805 32 H GLY 9 H GLY 9 4.068 -6.196 5.364 33 HA2 GLY 9 2HA GLY 9 2.199 -6.764 4.063 34 HA3 GLY 9 3HA GLY 9 1.320 -7.153 5.533 35 H CYS 10 H CYS 10 1.079 -5.241 3.035 36 HA CYS 10 HA CYS 10 0.867 -2.624 4.049 37 HB3 CYS 10 2HB CYS 10 -0.877 -2.538 2.016 38 H TRP 11 H TRP 11 -1.357 -1.443 3.905 39 HA TRP 11 HA TRP 11 -2.892 -2.160 6.079 40 HB3 TRP 11 2HB TRP 11 -4.598 -0.802 4.245 41 HD1 TRP 11 HD TRP 11 -2.061 -0.309 7.115 42 HE1 TRP 11 1HE TRP 11 -3.080 1.335 8.811 43 HE3 TRP 11 3HE TRP 11 -6.308 0.954 4.567 44 HZ2 TRP 11 2HZ TRP 11 -5.383 2.954 9.039 45 HZ3 TRP 11 3HZ TRP 11 -7.868 2.557 5.594 46 HH2 TRP 11 HH TRP 11 -7.413 3.534 7.785 47 HA HYP 12 HA HYP 12 -5.751 -5.274 4.948 48 HB2 HYP 12 3HB HYP 12 -7.380 -5.176 6.541 49 HB3 HYP 12 2HB HYP 12 -8.023 -3.650 5.915 50 HG HYP 12 HG HYP 12 -7.218 -3.246 7.977 51 HD22 HYP 12 2HD2 HYP 12 -6.430 -1.702 6.349 52 HD23 HYP 12 3HD2 HYP 12 -4.935 -2.174 7.194 53 HD1 HYP 12 1HD HYP 12 -5.349 -5.245 7.345 54 H GLY 13 H GLY 13 -6.194 -5.687 2.902 55 HA2 GLY 13 2HA GLY 13 -7.656 -5.722 1.059 56 HA3 GLY 13 3HA GLY 13 -8.333 -4.191 1.595 57 H CYS 14 H CYS 14 -4.933 -4.278 1.590 58 HA CYS 14 HA CYS 14 -4.860 -2.937 -1.033 59 HB3 CYS 14 2HB CYS 14 -2.911 -1.609 0.024 60 H SER 15 H SER 15 -2.282 -2.627 -1.507 61 HA SER 15 HA SER 15 -0.925 -5.170 -0.994 62 HB3 SER 15 2HB SER 15 -0.706 -5.792 -3.201 63 HG SER 15 HG SER 15 -2.693 -5.741 -4.042 64 H CYS 16 H CYS 16 1.374 -5.109 -1.728 65 HA CYS 16 HA CYS 16 2.485 -2.448 -1.190 66 HB3 CYS 16 2HB CYS 16 3.820 -5.160 -1.072 67 H TYR 17 H TYR 17 3.892 -1.447 -2.562 68 HA TYR 17 HA TYR 17 5.010 -2.786 -4.847 69 HB3 TYR 17 2HB TYR 17 2.904 -0.657 -5.287 70 HD1 TYR 17 1HD TYR 17 3.884 -3.382 -7.541 71 HD2 TYR 17 2HD TYR 17 4.213 0.780 -6.725 72 HE1 TYR 17 1HE TYR 17 4.794 -3.019 -9.796 73 HE2 TYR 17 2HE TYR 17 5.121 1.156 -8.978 74 HH TYR 17 HH TYR 17 4.978 -1.160 -11.430 75 H ALA 18 H ALA 18 6.906 -1.879 -5.300 76 HA ALA 18 HA ALA 18 8.679 -0.450 -5.249 77 HB1 ALA 18 1HB ALA 18 6.468 1.579 -5.542 78 HB2 ALA 18 2HB ALA 18 8.185 1.923 -5.752 79 HB3 ALA 18 3HB ALA 18 7.371 0.799 -6.840 80 H ARG 19 H ARG 19 8.090 -1.347 -2.777 81 HA ARG 19 HA ARG 19 8.400 -0.952 -0.559 82 HB3 ARG 19 2HB ARG 19 9.519 1.605 -0.414 83 HG3 ARG 19 2HG ARG 19 11.706 0.049 -0.788 84 HD3 ARG 19 2HD ARG 19 9.928 0.493 1.580 85 HE ARG 19 HE ARG 19 10.998 -1.234 2.612 86 HH11 ARG 19 1HH1 ARG 19 13.235 0.321 0.443 87 HH12 ARG 19 2HH1 ARG 19 14.588 -0.637 0.944 88 HH21 ARG 19 1HH2 ARG 19 12.773 -2.501 3.280 89 HH22 ARG 19 2HH2 ARG 19 14.324 -2.243 2.558 90 H THR 20 H THR 20 6.019 0.186 -2.076 91 HA THR 20 HA THR 20 5.077 1.908 0.112 92 HB THR 20 HB THR 20 3.897 2.535 -2.502 93 HG1 THR 20 1HG THR 20 6.614 3.219 -1.962 94 HG21 THR 20 3HG2 THR 20 4.201 3.723 0.025 95 HG22 THR 20 1HG2 THR 20 3.403 4.404 -1.392 96 HG23 THR 20 2HG2 THR 20 5.111 4.731 -1.100 97 H CYS 21 H CYS 21 2.510 2.308 -0.623 98 HA CYS 21 HA CYS 21 1.413 -0.409 -0.940 99 HB3 CYS 21 2HB CYS 21 -0.481 0.465 0.556 100 H PHE 22 H PHE 22 -1.077 -0.210 -1.384 101 HA PHE 22 HA PHE 22 -1.874 2.064 -2.950 102 HB3 PHE 22 2HB PHE 22 -1.980 -0.409 -4.573 103 HD1 PHE 22 1HD PHE 22 -0.122 2.797 -4.882 104 HD2 PHE 22 2HD PHE 22 -3.381 0.409 -6.224 105 HE1 PHE 22 1HE PHE 22 -0.579 4.428 -6.667 106 HE2 PHE 22 2HE PHE 22 -3.842 2.037 -8.011 107 HZ PHE 22 HZ PHE 22 -2.440 4.049 -8.235 108 H ARG 23 H ARG 23 -4.072 2.167 -3.239 109 HA ARG 23 HA ARG 23 -5.626 -0.098 -2.170 110 HB3 ARG 23 2HB ARG 23 -5.580 1.898 -0.677 111 HG3 ARG 23 2HG ARG 23 -6.224 3.292 -3.100 112 HD3 ARG 23 2HD ARG 23 -8.554 2.944 -2.197 113 HE ARG 23 HE ARG 23 -7.427 4.075 0.178 114 HH11 ARG 23 1HH1 ARG 23 -10.325 3.818 -1.735 115 HH12 ARG 23 2HH1 ARG 23 -11.389 4.099 -0.396 116 HH21 ARG 23 1HH2 ARG 23 -8.818 4.446 1.948 117 HH22 ARG 23 2HH2 ARG 23 -10.531 4.457 1.698 118 H ASP 24 H ASP 24 -4.839 0.695 -4.965 119 HA ASP 24 HA ASP 24 -5.772 0.584 -7.038 120 HB3 ASP 24 2HB ASP 24 -8.500 0.129 -6.667 121 H GLY 25 H GLY 25 -6.234 2.238 -8.339 122 HA2 GLY 25 2HA GLY 25 -7.484 4.046 -9.161 123 HA3 GLY 25 3HA GLY 25 -8.347 4.117 -7.631 124 H LEU 26 H LEU 26 -6.245 4.313 -5.843 125 HA LEU 26 HA LEU 26 -4.670 6.625 -6.680 126 HB3 LEU 26 2HB LEU 26 -5.386 8.034 -4.948 127 HG LEU 26 HG LEU 26 -7.836 6.672 -6.047 128 HD11 LEU 26 1HD1 LEU 26 -7.633 9.063 -4.228 129 HD12 LEU 26 2HD1 LEU 26 -8.522 7.565 -3.951 130 HD13 LEU 26 3HD1 LEU 26 -9.055 8.687 -5.203 131 HD21 LEU 26 3HD2 LEU 26 -7.272 9.472 -6.668 132 HD22 LEU 26 1HD2 LEU 26 -7.716 8.138 -7.733 133 HD23 LEU 26 2HD2 LEU 26 -6.036 8.349 -7.237 134 HA PRO 27 HA PRO 27 -1.518 4.782 -4.242 135 HB3 PRO 27 2HB PRO 27 -0.087 6.342 -5.134 136 HG3 PRO 27 2HG PRO 27 -0.789 8.522 -5.538 137 HD3 PRO 27 2HD PRO 27 -2.496 7.359 -6.560 Start of MODEL 9 1 H1 SER 1 H SER 1 -4.281 5.292 -1.588 2 HA SER 1 HA SER 1 -3.551 6.993 0.657 3 HB3 SER 1 2HB SER 1 -5.596 8.033 -0.298 4 HG SER 1 HG SER 1 -7.544 6.612 0.263 5 H CYS 2 H CYS 2 -2.490 5.198 1.501 6 HA CYS 2 HA CYS 2 -4.162 3.388 2.977 7 HB3 CYS 2 2HB CYS 2 -2.267 1.716 1.584 8 H GLY 3 H GLY 3 -3.173 2.699 4.807 9 HA2 GLY 3 2HA GLY 3 -0.457 3.686 5.261 10 HA3 GLY 3 3HA GLY 3 -1.593 3.168 6.497 11 H GLY 4 H GLY 4 -0.234 1.753 7.543 12 HA2 GLY 4 2HA GLY 4 0.639 -0.334 7.972 13 HA3 GLY 4 3HA GLY 4 -0.040 -0.868 6.441 14 H SER 5 H SER 5 2.574 -1.435 7.682 15 HA SER 5 HA SER 5 4.423 -0.126 5.831 16 HB3 SER 5 2HB SER 5 5.697 -0.137 7.686 17 HG SER 5 HG SER 5 5.110 -1.830 9.393 18 H CYS 6 H CYS 6 5.819 -1.311 4.476 19 HA CYS 6 HA CYS 6 4.613 -3.604 3.279 20 HB3 CYS 6 2HB CYS 6 7.009 -3.551 2.089 21 H PHE 7 H PHE 7 6.984 -3.115 5.730 22 HA PHE 7 HA PHE 7 8.185 -5.724 5.492 23 HB3 PHE 7 2HB PHE 7 8.367 -3.891 7.880 24 HD1 PHE 7 2HD PHE 7 10.854 -5.484 5.638 25 HD2 PHE 7 1HD PHE 7 9.111 -5.367 9.519 26 HE1 PHE 7 2HE PHE 7 12.573 -7.045 6.452 27 HE2 PHE 7 1HE PHE 7 10.829 -6.927 10.340 28 HZ PHE 7 HZ PHE 7 12.562 -7.769 8.806 29 H GLY 8 H GLY 8 5.367 -4.446 6.914 30 HA2 GLY 8 2HA GLY 8 4.985 -6.971 8.393 31 HA3 GLY 8 3HA GLY 8 4.559 -5.429 9.118 32 H GLY 9 H GLY 9 4.037 -5.794 5.730 33 HA2 GLY 9 2HA GLY 9 2.103 -6.408 4.549 34 HA3 GLY 9 3HA GLY 9 1.269 -6.639 6.079 35 H CYS 10 H CYS 10 0.837 -5.011 3.476 36 HA CYS 10 HA CYS 10 0.747 -2.287 4.338 37 HB3 CYS 10 2HB CYS 10 -0.905 -2.278 2.222 38 H TRP 11 H TRP 11 -1.438 -1.083 4.074 39 HA TRP 11 HA TRP 11 -3.093 -1.753 6.187 40 HB3 TRP 11 2HB TRP 11 -4.659 -0.325 4.287 41 HD1 TRP 11 HD TRP 11 -2.226 0.080 7.261 42 HE1 TRP 11 1HE TRP 11 -3.267 1.748 8.923 43 HE3 TRP 11 3HE TRP 11 -6.334 1.468 4.553 44 HZ2 TRP 11 2HZ TRP 11 -5.530 3.429 9.067 45 HZ3 TRP 11 3HZ TRP 11 -7.888 3.111 5.525 46 HH2 TRP 11 HH TRP 11 -7.492 4.069 7.735 47 HA HYP 12 HA HYP 12 -6.014 -4.742 4.888 48 HB2 HYP 12 3HB HYP 12 -7.739 -4.566 6.368 49 HB3 HYP 12 2HB HYP 12 -8.276 -3.019 5.693 50 HG HYP 12 HG HYP 12 -7.509 -2.513 7.787 51 HD22 HYP 12 2HD2 HYP 12 -6.499 -1.098 6.164 52 HD23 HYP 12 3HD2 HYP 12 -5.099 -1.668 7.106 53 HD1 HYP 12 1HD HYP 12 -5.791 -4.685 7.321 54 H GLY 13 H GLY 13 -6.427 -5.200 2.850 55 HA2 GLY 13 2HA GLY 13 -7.796 -5.168 0.934 56 HA3 GLY 13 3HA GLY 13 -8.343 -3.559 1.380 57 H CYS 14 H CYS 14 -4.989 -3.885 1.611 58 HA CYS 14 HA CYS 14 -4.628 -2.742 -1.080 59 HB3 CYS 14 2HB CYS 14 -2.648 -1.504 0.096 60 H SER 15 H SER 15 -2.006 -2.624 -1.362 61 HA SER 15 HA SER 15 -0.819 -5.156 -0.529 62 HB3 SER 15 2HB SER 15 -0.422 -5.987 -2.683 63 HG SER 15 HG SER 15 -2.509 -6.386 -2.633 64 H CYS 16 H CYS 16 1.508 -5.290 -1.361 65 HA CYS 16 HA CYS 16 2.743 -2.666 -0.936 66 HB3 CYS 16 2HB CYS 16 3.961 -5.431 -0.790 67 H TYR 17 H TYR 17 3.783 -1.630 -2.510 68 HA TYR 17 HA TYR 17 5.080 -3.015 -4.667 69 HB3 TYR 17 2HB TYR 17 2.673 -1.288 -5.286 70 HD1 TYR 17 2HD TYR 17 3.962 0.163 -6.814 71 HD2 TYR 17 1HD TYR 17 3.828 -4.057 -7.338 72 HE1 TYR 17 2HE TYR 17 4.796 0.428 -9.112 73 HE2 TYR 17 1HE TYR 17 4.662 -3.804 -9.638 74 HH TYR 17 HH TYR 17 6.198 -1.660 -10.811 75 H ALA 18 H ALA 18 6.823 -1.887 -5.222 76 HA ALA 18 HA ALA 18 8.313 -0.184 -5.477 77 HB1 ALA 18 1HB ALA 18 7.557 1.872 -6.286 78 HB2 ALA 18 2HB ALA 18 6.316 0.726 -6.797 79 HB3 ALA 18 3HB ALA 18 6.035 1.766 -5.400 80 H ARG 19 H ARG 19 7.968 -1.100 -2.909 81 HA ARG 19 HA ARG 19 8.341 -0.596 -0.721 82 HB3 ARG 19 2HB ARG 19 9.560 1.705 -0.424 83 HG3 ARG 19 2HG ARG 19 11.591 0.646 -1.790 84 HD3 ARG 19 2HD ARG 19 11.015 0.844 0.778 85 HE ARG 19 HE ARG 19 9.955 -1.028 1.525 86 HH11 ARG 19 1HH1 ARG 19 12.211 -1.956 -0.958 87 HH12 ARG 19 2HH1 ARG 19 11.924 -3.654 -0.766 88 HH21 ARG 19 1HH2 ARG 19 9.569 -3.260 1.787 89 HH22 ARG 19 2HH2 ARG 19 10.420 -4.395 0.794 90 H THR 20 H THR 20 5.830 0.352 -2.092 91 HA THR 20 HA THR 20 4.867 1.960 0.129 92 HB THR 20 HB THR 20 4.150 2.957 -2.600 93 HG1 THR 20 1HG THR 20 5.923 4.500 -2.289 94 HG21 THR 20 3HG2 THR 20 2.849 4.062 -1.080 95 HG22 THR 20 1HG2 THR 20 4.259 5.121 -1.066 96 HG23 THR 20 2HG2 THR 20 4.043 3.923 0.210 97 H CYS 21 H CYS 21 2.470 2.220 0.048 98 HA CYS 21 HA CYS 21 1.276 -0.260 -0.925 99 HB3 CYS 21 2HB CYS 21 -0.625 0.349 0.533 100 H PHE 22 H PHE 22 -0.500 -0.348 -2.275 101 HA PHE 22 HA PHE 22 -1.735 2.063 -3.262 102 HB3 PHE 22 2HB PHE 22 -0.648 0.440 -5.480 103 HD1 PHE 22 2HD PHE 22 0.208 3.854 -4.334 104 HD2 PHE 22 1HD PHE 22 -2.025 1.473 -7.066 105 HE1 PHE 22 2HE PHE 22 -0.386 5.876 -5.605 106 HE2 PHE 22 1HE PHE 22 -2.621 3.490 -8.341 107 HZ PHE 22 HZ PHE 22 -1.803 5.695 -7.611 108 H ARG 23 H ARG 23 -3.724 1.694 -4.170 109 HA ARG 23 HA ARG 23 -4.530 -1.103 -4.573 110 HB3 ARG 23 2HB ARG 23 -5.435 -0.684 -2.453 111 HG3 ARG 23 2HG ARG 23 -6.169 2.053 -3.451 112 HD3 ARG 23 2HD ARG 23 -6.922 2.086 -0.877 113 HE ARG 23 HE ARG 23 -8.345 2.074 -3.284 114 HH11 ARG 23 1HH1 ARG 23 -8.841 1.374 0.090 115 HH12 ARG 23 2HH1 ARG 23 -10.525 1.780 0.061 116 HH21 ARG 23 1HH2 ARG 23 -10.561 2.612 -3.335 117 HH22 ARG 23 2HH2 ARG 23 -11.502 2.483 -1.888 118 H ASP 24 H ASP 24 -3.810 1.026 -6.445 119 HA ASP 24 HA ASP 24 -4.498 1.784 -8.478 120 HB3 ASP 24 2HB ASP 24 -7.075 0.768 -8.867 121 H GLY 25 H GLY 25 -5.544 3.579 -9.254 122 HA2 GLY 25 2HA GLY 25 -7.167 5.265 -9.324 123 HA3 GLY 25 3HA GLY 25 -7.903 4.586 -7.879 124 H LEU 26 H LEU 26 -5.832 4.566 -6.101 125 HA LEU 26 HA LEU 26 -4.486 7.102 -6.045 126 HB3 LEU 26 2HB LEU 26 -6.366 8.125 -5.260 127 HG LEU 26 HG LEU 26 -7.244 5.475 -4.296 128 HD11 LEU 26 1HD1 LEU 26 -7.248 7.729 -2.538 129 HD12 LEU 26 2HD1 LEU 26 -7.867 6.100 -2.265 130 HD13 LEU 26 3HD1 LEU 26 -8.906 7.329 -2.988 131 HD21 LEU 26 3HD2 LEU 26 -9.180 7.566 -4.962 132 HD22 LEU 26 1HD2 LEU 26 -9.022 5.923 -5.583 133 HD23 LEU 26 2HD2 LEU 26 -8.023 7.216 -6.247 134 HA PRO 27 HA PRO 27 -1.765 4.957 -3.355 135 HB3 PRO 27 2HB PRO 27 -0.397 6.801 -3.426 136 HG3 PRO 27 2HG PRO 27 -1.282 8.952 -3.431 137 HD3 PRO 27 2HD PRO 27 -2.537 8.002 -5.116 Start of MODEL 10 1 H1 SER 1 H SER 1 -4.176 5.195 -1.755 2 HA SER 1 HA SER 1 -3.379 7.130 0.262 3 HB3 SER 1 2HB SER 1 -5.368 8.146 -0.829 4 HG SER 1 HG SER 1 -7.248 6.567 0.203 5 H CYS 2 H CYS 2 -2.394 5.333 1.245 6 HA CYS 2 HA CYS 2 -4.134 3.854 2.986 7 HB3 CYS 2 2HB CYS 2 -2.443 1.881 1.724 8 H GLY 3 H GLY 3 -3.038 2.897 4.733 9 HA2 GLY 3 2HA GLY 3 -0.261 3.839 5.014 10 HA3 GLY 3 3HA GLY 3 -1.368 3.541 6.344 11 H GLY 4 H GLY 4 -0.001 2.148 7.440 12 HA2 GLY 4 2HA GLY 4 0.605 -0.005 8.042 13 HA3 GLY 4 3HA GLY 4 -0.062 -0.580 6.521 14 H SER 5 H SER 5 2.392 -1.421 7.744 15 HA SER 5 HA SER 5 4.458 -0.242 6.041 16 HB3 SER 5 2HB SER 5 5.642 -0.514 7.936 17 HG SER 5 HG SER 5 4.608 -2.452 9.347 18 H CYS 6 H CYS 6 5.794 -1.531 4.698 19 HA CYS 6 HA CYS 6 4.365 -3.638 3.363 20 HB3 CYS 6 2HB CYS 6 6.743 -3.691 2.137 21 H PHE 7 H PHE 7 6.787 -3.429 5.801 22 HA PHE 7 HA PHE 7 7.869 -6.056 5.423 23 HB3 PHE 7 2HB PHE 7 8.014 -4.424 7.955 24 HD1 PHE 7 2HD PHE 7 9.963 -6.545 5.579 25 HD2 PHE 7 1HD PHE 7 9.210 -5.440 9.619 26 HE1 PHE 7 2HE PHE 7 11.589 -8.227 6.338 27 HE2 PHE 7 1HE PHE 7 10.837 -7.120 10.385 28 HZ PHE 7 HZ PHE 7 12.027 -8.517 8.744 29 H GLY 8 H GLY 8 5.041 -4.803 6.850 30 HA2 GLY 8 2HA GLY 8 4.517 -7.433 8.080 31 HA3 GLY 8 3HA GLY 8 4.132 -5.949 8.939 32 H GLY 9 H GLY 9 3.698 -5.961 5.521 33 HA2 GLY 9 2HA GLY 9 1.778 -6.373 4.234 34 HA3 GLY 9 3HA GLY 9 0.890 -6.719 5.710 35 H CYS 10 H CYS 10 0.652 -4.803 3.260 36 HA CYS 10 HA CYS 10 0.673 -2.174 4.309 37 HB3 CYS 10 2HB CYS 10 -1.084 -1.946 2.292 38 H TRP 11 H TRP 11 -1.480 -0.851 4.184 39 HA TRP 11 HA TRP 11 -3.036 -1.485 6.368 40 HB3 TRP 11 2HB TRP 11 -4.676 -0.020 4.558 41 HD1 TRP 11 HD TRP 11 -2.056 0.345 7.377 42 HE1 TRP 11 1HE TRP 11 -2.965 2.029 9.099 43 HE3 TRP 11 3HE TRP 11 -6.310 1.786 4.935 44 HZ2 TRP 11 2HZ TRP 11 -5.191 3.741 9.385 45 HZ3 TRP 11 3HZ TRP 11 -7.776 3.450 6.000 46 HH2 TRP 11 HH TRP 11 -7.226 4.406 8.179 47 HA HYP 12 HA HYP 12 -6.097 -4.408 5.255 48 HB2 HYP 12 3HB HYP 12 -7.715 -4.200 6.849 49 HB3 HYP 12 2HB HYP 12 -8.260 -2.639 6.219 50 HG HYP 12 HG HYP 12 -7.387 -2.219 8.268 51 HD22 HYP 12 2HD2 HYP 12 -6.480 -0.776 6.611 52 HD23 HYP 12 3HD2 HYP 12 -5.026 -1.361 7.454 53 HD1 HYP 12 1HD HYP 12 -5.700 -4.382 7.660 54 H GLY 13 H GLY 13 -6.612 -4.822 3.230 55 HA2 GLY 13 2HA GLY 13 -8.096 -4.760 1.402 56 HA3 GLY 13 3HA GLY 13 -8.618 -3.160 1.908 57 H CYS 14 H CYS 14 -5.244 -3.564 1.886 58 HA CYS 14 HA CYS 14 -5.056 -2.342 -0.787 59 HB3 CYS 14 2HB CYS 14 -3.005 -1.123 0.273 60 H SER 15 H SER 15 -2.459 -2.226 -1.239 61 HA SER 15 HA SER 15 -1.268 -4.812 -0.561 62 HB3 SER 15 2HB SER 15 -1.052 -5.572 -2.731 63 HG SER 15 HG SER 15 -3.220 -4.096 -3.543 64 H CYS 16 H CYS 16 1.034 -4.939 -1.309 65 HA CYS 16 HA CYS 16 2.314 -2.347 -0.846 66 HB3 CYS 16 2HB CYS 16 3.430 -5.157 -0.723 67 H TYR 17 H TYR 17 3.807 -1.463 -2.231 68 HA TYR 17 HA TYR 17 4.729 -2.860 -4.566 69 HB3 TYR 17 2HB TYR 17 2.820 -0.539 -4.919 70 HD1 TYR 17 1HD TYR 17 4.307 -3.336 -6.911 71 HD2 TYR 17 2HD TYR 17 3.379 0.810 -6.698 72 HE1 TYR 17 1HE TYR 17 5.183 -3.030 -9.188 73 HE2 TYR 17 2HE TYR 17 4.252 1.128 -8.976 74 HH TYR 17 HH TYR 17 5.318 0.182 -10.687 75 H ALA 18 H ALA 18 6.704 -2.145 -5.009 76 HA ALA 18 HA ALA 18 8.615 -0.904 -4.919 77 HB1 ALA 18 1HB ALA 18 6.668 1.361 -5.340 78 HB2 ALA 18 2HB ALA 18 8.408 1.422 -5.626 79 HB3 ALA 18 3HB ALA 18 7.390 0.367 -6.606 80 H ARG 19 H ARG 19 7.923 -1.613 -2.435 81 HA ARG 19 HA ARG 19 8.210 -1.131 -0.230 82 HB3 ARG 19 2HB ARG 19 9.586 1.102 0.127 83 HG3 ARG 19 2HG ARG 19 10.409 -1.570 -0.726 84 HD3 ARG 19 2HD ARG 19 12.122 0.837 -1.241 85 HE ARG 19 HE ARG 19 13.100 -1.361 0.121 86 HH11 ARG 19 1HH1 ARG 19 13.726 0.276 -2.888 87 HH12 ARG 19 2HH1 ARG 19 15.404 -0.152 -2.922 88 HH21 ARG 19 1HH2 ARG 19 15.308 -1.931 0.086 89 HH22 ARG 19 2HH2 ARG 19 16.303 -1.408 -1.231 90 H THR 20 H THR 20 5.935 0.068 -1.838 91 HA THR 20 HA THR 20 5.076 1.968 0.231 92 HB THR 20 HB THR 20 3.985 2.538 -2.432 93 HG1 THR 20 1HG THR 20 5.857 2.633 -3.404 94 HG21 THR 20 3HG2 THR 20 5.343 4.705 -1.109 95 HG22 THR 20 1HG2 THR 20 4.320 3.831 0.031 96 HG23 THR 20 2HG2 THR 20 3.624 4.503 -1.444 97 H CYS 21 H CYS 21 2.554 2.503 -0.630 98 HA CYS 21 HA CYS 21 1.285 -0.153 -0.782 99 HB3 CYS 21 2HB CYS 21 -0.592 0.950 0.569 100 H PHE 22 H PHE 22 -0.538 -0.364 -2.048 101 HA PHE 22 HA PHE 22 -1.788 1.908 -3.287 102 HB3 PHE 22 2HB PHE 22 -0.699 0.053 -5.326 103 HD1 PHE 22 1HD PHE 22 0.071 3.608 -4.672 104 HD2 PHE 22 2HD PHE 22 -2.192 0.827 -6.965 105 HE1 PHE 22 1HE PHE 22 -0.633 5.425 -6.174 106 HE2 PHE 22 2HE PHE 22 -2.899 2.639 -8.473 107 HZ PHE 22 HZ PHE 22 -2.118 4.942 -8.079 108 H ARG 23 H ARG 23 -3.786 1.424 -4.128 109 HA ARG 23 HA ARG 23 -4.566 -1.397 -4.287 110 HB3 ARG 23 2HB ARG 23 -5.259 -0.762 -2.080 111 HG3 ARG 23 2HG ARG 23 -6.278 1.711 -3.400 112 HD3 ARG 23 2HD ARG 23 -7.281 1.767 -0.824 113 HE ARG 23 HE ARG 23 -8.339 2.225 -3.264 114 HH11 ARG 23 1HH1 ARG 23 -9.425 0.396 -0.508 115 HH12 ARG 23 2HH1 ARG 23 -11.108 0.655 -0.836 116 HH21 ARG 23 1HH2 ARG 23 -10.549 2.573 -3.706 117 HH22 ARG 23 2HH2 ARG 23 -11.745 1.892 -2.655 118 H ASP 24 H ASP 24 -4.010 0.578 -6.323 119 HA ASP 24 HA ASP 24 -4.849 1.219 -8.341 120 HB3 ASP 24 2HB ASP 24 -7.459 0.226 -8.461 121 H GLY 25 H GLY 25 -5.988 2.947 -9.178 122 HA2 GLY 25 2HA GLY 25 -7.586 4.653 -9.216 123 HA3 GLY 25 3HA GLY 25 -8.188 4.092 -7.664 124 H LEU 26 H LEU 26 -6.024 4.193 -6.049 125 HA LEU 26 HA LEU 26 -4.609 6.678 -6.316 126 HB3 LEU 26 2HB LEU 26 -6.417 7.822 -5.519 127 HG LEU 26 HG LEU 26 -7.235 5.330 -4.115 128 HD11 LEU 26 1HD1 LEU 26 -8.138 6.294 -2.319 129 HD12 LEU 26 2HD1 LEU 26 -8.725 7.676 -3.245 130 HD13 LEU 26 3HD1 LEU 26 -7.063 7.651 -2.656 131 HD21 LEU 26 3HD2 LEU 26 -8.323 7.264 -6.057 132 HD22 LEU 26 1HD2 LEU 26 -9.475 6.601 -4.897 133 HD23 LEU 26 2HD2 LEU 26 -8.550 5.518 -5.939 134 HA PRO 27 HA PRO 27 -1.775 4.691 -3.618 135 HB3 PRO 27 2HB PRO 27 -0.358 6.467 -3.962 136 HG3 PRO 27 2HG PRO 27 -1.171 8.639 -4.121 137 HD3 PRO 27 2HD PRO 27 -2.570 7.580 -5.616 Start of MODEL 11 1 H1 SER 1 H SER 1 -3.737 5.510 -0.983 2 HA SER 1 HA SER 1 -2.823 7.313 1.101 3 HB3 SER 1 2HB SER 1 -5.145 8.042 0.060 4 HG SER 1 HG SER 1 -6.563 6.513 0.350 5 H CYS 2 H CYS 2 -2.554 4.460 0.261 6 HA CYS 2 HA CYS 2 -3.878 2.984 2.378 7 HB3 CYS 2 2HB CYS 2 -2.381 1.096 1.350 8 H GLY 3 H GLY 3 -3.065 3.242 4.365 9 HA2 GLY 3 2HA GLY 3 -0.335 3.881 4.881 10 HA3 GLY 3 3HA GLY 3 -1.543 3.447 6.081 11 H GLY 4 H GLY 4 -0.379 2.025 7.289 12 HA2 GLY 4 2HA GLY 4 0.493 -0.018 7.876 13 HA3 GLY 4 3HA GLY 4 -0.143 -0.637 6.359 14 H SER 5 H SER 5 2.398 -1.219 7.700 15 HA SER 5 HA SER 5 4.356 -0.043 5.872 16 HB3 SER 5 2HB SER 5 5.560 -0.029 7.773 17 HG SER 5 HG SER 5 3.937 -2.078 8.872 18 H CYS 6 H CYS 6 5.595 -1.245 4.463 19 HA CYS 6 HA CYS 6 4.403 -3.578 3.384 20 HB3 CYS 6 2HB CYS 6 6.805 -3.612 2.206 21 H PHE 7 H PHE 7 6.788 -3.048 5.817 22 HA PHE 7 HA PHE 7 7.918 -5.695 5.681 23 HB3 PHE 7 2HB PHE 7 8.168 -3.768 7.987 24 HD1 PHE 7 2HD PHE 7 10.541 -5.595 5.789 25 HD2 PHE 7 1HD PHE 7 8.933 -5.125 9.701 26 HE1 PHE 7 2HE PHE 7 12.220 -7.167 6.663 27 HE2 PHE 7 1HE PHE 7 10.610 -6.695 10.583 28 HZ PHE 7 HZ PHE 7 12.255 -7.720 9.063 29 H GLY 8 H GLY 8 5.153 -4.275 7.074 30 HA2 GLY 8 2HA GLY 8 4.700 -6.733 8.641 31 HA3 GLY 8 3HA GLY 8 4.346 -5.154 9.326 32 H GLY 9 H GLY 9 3.764 -5.748 5.954 33 HA2 GLY 9 2HA GLY 9 1.774 -6.336 4.855 34 HA3 GLY 9 3HA GLY 9 0.949 -6.359 6.407 35 H CYS 10 H CYS 10 0.642 -4.949 3.643 36 HA CYS 10 HA CYS 10 0.701 -2.158 4.302 37 HB3 CYS 10 2HB CYS 10 -0.836 -2.199 2.108 38 H TRP 11 H TRP 11 -1.461 -0.916 3.704 39 HA TRP 11 HA TRP 11 -3.218 -1.233 5.814 40 HB3 TRP 11 2HB TRP 11 -4.655 -0.093 3.623 41 HD1 TRP 11 HD TRP 11 -2.479 0.671 6.715 42 HE1 TRP 11 1HE TRP 11 -3.596 2.579 8.032 43 HE3 TRP 11 3HE TRP 11 -6.262 1.795 3.464 44 HZ2 TRP 11 2HZ TRP 11 -5.790 4.329 7.733 45 HZ3 TRP 11 3HZ TRP 11 -7.826 3.600 4.055 46 HH2 TRP 11 HH TRP 11 -7.594 4.839 6.146 47 HA HYP 12 HA HYP 12 -6.112 -4.373 4.860 48 HB2 HYP 12 3HB HYP 12 -7.854 -4.004 6.285 49 HB3 HYP 12 2HB HYP 12 -8.371 -2.551 5.417 50 HG HYP 12 HG HYP 12 -7.684 -1.869 7.459 51 HD22 HYP 12 2HD2 HYP 12 -6.679 -0.614 5.707 52 HD23 HYP 12 3HD2 HYP 12 -5.285 -1.040 6.728 53 HD1 HYP 12 1HD HYP 12 -5.904 -4.034 7.262 54 H GLY 13 H GLY 13 -6.444 -5.051 2.866 55 HA2 GLY 13 2HA GLY 13 -7.772 -5.268 0.935 56 HA3 GLY 13 3HA GLY 13 -8.377 -3.638 1.194 57 H CYS 14 H CYS 14 -5.108 -3.510 1.593 58 HA CYS 14 HA CYS 14 -4.731 -2.635 -1.191 59 HB3 CYS 14 2HB CYS 14 -3.012 -1.148 -0.386 60 H SER 15 H SER 15 -2.013 -2.537 -1.342 61 HA SER 15 HA SER 15 -0.935 -5.131 -0.598 62 HB3 SER 15 2HB SER 15 -0.583 -5.967 -2.753 63 HG SER 15 HG SER 15 -2.739 -6.179 -2.523 64 H CYS 16 H CYS 16 1.386 -5.330 -1.412 65 HA CYS 16 HA CYS 16 2.691 -2.728 -1.039 66 HB3 CYS 16 2HB CYS 16 3.851 -5.506 -0.744 67 H TYR 17 H TYR 17 2.990 -1.821 -2.994 68 HA TYR 17 HA TYR 17 4.438 -3.414 -5.006 69 HB3 TYR 17 2HB TYR 17 2.292 -1.339 -5.506 70 HD1 TYR 17 2HD TYR 17 4.160 -4.031 -7.318 71 HD2 TYR 17 1HD TYR 17 2.596 -0.076 -7.402 72 HE1 TYR 17 2HE TYR 17 4.969 -3.767 -9.625 73 HE2 TYR 17 1HE TYR 17 3.399 0.200 -9.711 74 HH TYR 17 HH TYR 17 4.113 -2.104 -11.696 75 H ALA 18 H ALA 18 6.298 -2.567 -5.687 76 HA ALA 18 HA ALA 18 8.031 -1.126 -6.007 77 HB1 ALA 18 1HB ALA 18 6.261 0.152 -7.231 78 HB2 ALA 18 2HB ALA 18 6.009 1.092 -5.759 79 HB3 ALA 18 3HB ALA 18 7.569 1.140 -6.580 80 H ARG 19 H ARG 19 7.798 -2.077 -3.475 81 HA ARG 19 HA ARG 19 8.359 -1.724 -1.296 82 HB3 ARG 19 2HB ARG 19 9.789 0.782 -1.716 83 HG3 ARG 19 2HG ARG 19 10.634 -2.008 -0.980 84 HD3 ARG 19 2HD ARG 19 12.365 0.417 -0.702 85 HE ARG 19 HE ARG 19 13.525 -2.173 -1.153 86 HH11 ARG 19 1HH1 ARG 19 12.223 0.004 1.232 87 HH12 ARG 19 2HH1 ARG 19 13.093 -0.712 2.550 88 HH21 ARG 19 1HH2 ARG 19 14.676 -3.122 0.572 89 HH22 ARG 19 2HH2 ARG 19 14.489 -2.489 2.172 90 H THR 20 H THR 20 5.932 -0.387 -2.370 91 HA THR 20 HA THR 20 5.473 1.352 -0.088 92 HB THR 20 HB THR 20 4.609 2.439 -2.739 93 HG1 THR 20 1HG THR 20 6.601 2.890 -3.261 94 HG21 THR 20 3HG2 THR 20 3.682 3.767 -1.140 95 HG22 THR 20 1HG2 THR 20 5.254 4.556 -1.239 96 HG23 THR 20 2HG2 THR 20 4.931 3.396 0.048 97 H CYS 21 H CYS 21 3.143 1.982 0.075 98 HA CYS 21 HA CYS 21 1.493 -0.296 -0.711 99 HB3 CYS 21 2HB CYS 21 -0.148 0.699 0.916 100 H PHE 22 H PHE 22 -0.038 -0.189 -2.224 101 HA PHE 22 HA PHE 22 -1.353 2.291 -2.885 102 HB3 PHE 22 2HB PHE 22 -0.203 1.057 -5.303 103 HD1 PHE 22 1HD PHE 22 0.644 4.252 -3.647 104 HD2 PHE 22 2HD PHE 22 -1.620 2.315 -6.687 105 HE1 PHE 22 1HE PHE 22 0.036 6.444 -4.586 106 HE2 PHE 22 2HE PHE 22 -2.231 4.504 -7.631 107 HZ PHE 22 HZ PHE 22 -1.403 6.571 -6.581 108 H ARG 23 H ARG 23 -3.342 1.963 -3.755 109 HA ARG 23 HA ARG 23 -4.038 -0.799 -4.511 110 HB3 ARG 23 2HB ARG 23 -4.904 -0.033 -2.248 111 HG3 ARG 23 2HG ARG 23 -5.745 2.215 -3.622 112 HD3 ARG 23 2HD ARG 23 -7.691 0.413 -4.169 113 HE ARG 23 HE ARG 23 -8.205 1.116 -1.480 114 HH11 ARG 23 1HH1 ARG 23 -9.788 0.763 -4.561 115 HH12 ARG 23 2HH1 ARG 23 -11.333 0.391 -3.872 116 HH21 ARG 23 1HH2 ARG 23 -10.235 0.630 -0.561 117 HH22 ARG 23 2HH2 ARG 23 -11.586 0.318 -1.596 118 H ASP 24 H ASP 24 -3.359 1.805 -5.982 119 HA ASP 24 HA ASP 24 -3.953 2.787 -7.947 120 HB3 ASP 24 2HB ASP 24 -6.102 1.421 -8.990 121 H GLY 25 H GLY 25 -4.915 4.702 -7.958 122 HA2 GLY 25 2HA GLY 25 -6.738 6.170 -8.067 123 HA3 GLY 25 3HA GLY 25 -7.774 4.895 -7.443 124 H LEU 26 H LEU 26 -6.335 4.224 -5.134 125 HA LEU 26 HA LEU 26 -6.726 6.669 -3.543 126 HB3 LEU 26 2HB LEU 26 -6.812 4.772 -1.678 127 HG LEU 26 HG LEU 26 -8.857 6.177 -3.076 128 HD11 LEU 26 1HD1 LEU 26 -10.701 4.591 -2.854 129 HD12 LEU 26 2HD1 LEU 26 -9.561 3.322 -2.409 130 HD13 LEU 26 3HD1 LEU 26 -9.507 4.028 -4.023 131 HD21 LEU 26 3HD2 LEU 26 -10.022 5.926 -0.920 132 HD22 LEU 26 1HD2 LEU 26 -8.347 6.445 -0.727 133 HD23 LEU 26 2HD2 LEU 26 -8.793 4.768 -0.410 134 HA PRO 27 HA PRO 27 -2.200 5.877 -3.290 135 HB3 PRO 27 2HB PRO 27 -1.805 7.645 -4.704 136 HG3 PRO 27 2HG PRO 27 -3.353 9.366 -4.934 137 HD3 PRO 27 2HD PRO 27 -4.736 7.546 -5.228 Start of MODEL 12 1 H1 SER 1 H SER 1 -4.240 5.075 -1.633 2 HA SER 1 HA SER 1 -4.011 6.692 0.795 3 HB3 SER 1 2HB SER 1 -5.971 7.372 -0.181 4 HG SER 1 HG SER 1 -6.307 4.716 -1.126 5 H CYS 2 H CYS 2 -2.863 3.963 0.459 6 HA CYS 2 HA CYS 2 -4.354 2.586 2.595 7 HB3 CYS 2 2HB CYS 2 -2.848 0.599 1.657 8 H GLY 3 H GLY 3 -3.413 2.658 4.520 9 HA2 GLY 3 2HA GLY 3 -0.774 3.617 4.919 10 HA3 GLY 3 3HA GLY 3 -1.809 2.906 6.147 11 H GLY 4 H GLY 4 -0.376 1.577 7.149 12 HA2 GLY 4 2HA GLY 4 0.941 -0.271 7.487 13 HA3 GLY 4 3HA GLY 4 0.139 -0.952 6.079 14 H SER 5 H SER 5 2.463 -1.885 6.088 15 HA SER 5 HA SER 5 3.877 -0.565 3.963 16 HB3 SER 5 2HB SER 5 5.633 -1.107 6.310 17 HG SER 5 HG SER 5 6.154 1.176 5.149 18 H CYS 6 H CYS 6 5.773 -1.863 3.237 19 HA CYS 6 HA CYS 6 5.089 -4.530 2.848 20 HB3 CYS 6 2HB CYS 6 7.721 -4.643 2.362 21 H PHE 7 H PHE 7 6.689 -3.024 5.494 22 HA PHE 7 HA PHE 7 8.189 -5.149 6.517 23 HB3 PHE 7 2HB PHE 7 6.765 -2.906 7.962 24 HD1 PHE 7 2HD PHE 7 9.612 -5.300 8.282 25 HD2 PHE 7 1HD PHE 7 6.651 -2.959 10.247 26 HE1 PHE 7 2HE PHE 7 10.345 -6.201 10.452 27 HE2 PHE 7 1HE PHE 7 7.379 -3.854 12.419 28 HZ PHE 7 HZ PHE 7 9.227 -5.478 12.524 29 H GLY 8 H GLY 8 5.178 -4.054 8.057 30 HA2 GLY 8 2HA GLY 8 4.647 -6.825 8.841 31 HA3 GLY 8 3HA GLY 8 3.880 -5.393 9.513 32 H GLY 9 H GLY 9 4.113 -5.540 6.089 33 HA2 GLY 9 2HA GLY 9 2.573 -6.296 4.485 34 HA3 GLY 9 3HA GLY 9 1.489 -6.775 5.784 35 H CYS 10 H CYS 10 1.355 -4.988 3.254 36 HA CYS 10 HA CYS 10 0.855 -2.350 3.996 37 HB3 CYS 10 2HB CYS 10 -0.866 -2.610 1.956 38 H TRP 11 H TRP 11 -1.447 -1.363 3.720 39 HA TRP 11 HA TRP 11 -2.953 -1.983 5.952 40 HB3 TRP 11 2HB TRP 11 -4.715 -0.906 3.982 41 HD1 TRP 11 HD TRP 11 -2.273 0.017 6.834 42 HE1 TRP 11 1HE TRP 11 -3.449 1.708 8.375 43 HE3 TRP 11 3HE TRP 11 -6.568 0.715 4.149 44 HZ2 TRP 11 2HZ TRP 11 -5.876 3.148 8.446 45 HZ3 TRP 11 3HZ TRP 11 -8.266 2.266 5.023 46 HH2 TRP 11 HH TRP 11 -7.926 3.456 7.128 47 HA HYP 12 HA HYP 12 -5.554 -5.391 5.073 48 HB2 HYP 12 3HB HYP 12 -7.163 -5.311 6.687 49 HB3 HYP 12 2HB HYP 12 -7.928 -3.882 5.977 50 HG HYP 12 HG HYP 12 -7.121 -3.270 7.989 51 HD22 HYP 12 2HD2 HYP 12 -6.467 -1.790 6.247 52 HD23 HYP 12 3HD2 HYP 12 -4.930 -2.097 7.090 53 HD1 HYP 12 1HD HYP 12 -5.124 -5.172 7.457 54 H GLY 13 H GLY 13 -6.002 -5.975 3.072 55 HA2 GLY 13 2HA GLY 13 -7.483 -6.239 1.263 56 HA3 GLY 13 3HA GLY 13 -8.262 -4.729 1.709 57 H CYS 14 H CYS 14 -4.885 -4.505 1.673 58 HA CYS 14 HA CYS 14 -4.963 -3.301 -1.017 59 HB3 CYS 14 2HB CYS 14 -3.406 -1.632 -0.298 60 H SER 15 H SER 15 -2.318 -2.863 -1.448 61 HA SER 15 HA SER 15 -0.936 -5.410 -1.052 62 HB3 SER 15 2HB SER 15 -0.805 -5.999 -3.251 63 HG SER 15 HG SER 15 -2.926 -6.014 -3.361 64 H CYS 16 H CYS 16 1.357 -5.303 -1.659 65 HA CYS 16 HA CYS 16 2.407 -2.570 -1.328 66 HB3 CYS 16 2HB CYS 16 3.992 -5.033 -0.674 67 H TYR 17 H TYR 17 2.968 -1.845 -3.287 68 HA TYR 17 HA TYR 17 4.673 -3.581 -4.949 69 HB3 TYR 17 2HB TYR 17 2.607 -1.580 -5.890 70 HD1 TYR 17 2HD TYR 17 4.170 -4.565 -7.455 71 HD2 TYR 17 1HD TYR 17 3.641 -0.346 -7.597 72 HE1 TYR 17 2HE TYR 17 5.252 -4.510 -9.662 73 HE2 TYR 17 1HE TYR 17 4.721 -0.279 -9.807 74 HH TYR 17 HH TYR 17 5.162 -1.774 -11.686 75 H ALA 18 H ALA 18 6.608 -2.779 -5.449 76 HA ALA 18 HA ALA 18 8.360 -1.346 -5.695 77 HB1 ALA 18 1HB ALA 18 7.991 0.614 -6.789 78 HB2 ALA 18 2HB ALA 18 6.415 -0.140 -7.036 79 HB3 ALA 18 3HB ALA 18 6.628 1.061 -5.762 80 H ARG 19 H ARG 19 7.889 -2.095 -3.150 81 HA ARG 19 HA ARG 19 8.185 -1.563 -0.954 82 HB3 ARG 19 2HB ARG 19 9.776 0.429 -0.608 83 HG3 ARG 19 2HG ARG 19 10.452 -2.003 -2.200 84 HD3 ARG 19 2HD ARG 19 11.991 -0.375 -3.064 85 HE ARG 19 HE ARG 19 12.322 1.413 -1.662 86 HH11 ARG 19 1HH1 ARG 19 13.063 -1.543 0.022 87 HH12 ARG 19 2HH1 ARG 19 13.756 -0.741 1.393 88 HH21 ARG 19 1HH2 ARG 19 13.232 2.480 0.138 89 HH22 ARG 19 2HH2 ARG 19 13.851 1.548 1.458 90 H THR 20 H THR 20 5.833 -0.452 -2.289 91 HA THR 20 HA THR 20 5.156 1.528 -0.272 92 HB THR 20 HB THR 20 4.423 2.239 -3.084 93 HG1 THR 20 1HG THR 20 6.346 3.436 -3.255 94 HG21 THR 20 3HG2 THR 20 4.829 4.558 -1.885 95 HG22 THR 20 1HG2 THR 20 4.600 3.585 -0.432 96 HG23 THR 20 2HG2 THR 20 3.329 3.661 -1.652 97 H CYS 21 H CYS 21 2.797 2.063 -0.334 98 HA CYS 21 HA CYS 21 1.284 -0.341 -1.083 99 HB3 CYS 21 2HB CYS 21 -0.412 0.528 0.555 100 H PHE 22 H PHE 22 -0.604 -0.216 -2.259 101 HA PHE 22 HA PHE 22 -1.728 2.309 -3.047 102 HB3 PHE 22 2HB PHE 22 -0.881 0.724 -5.407 103 HD1 PHE 22 2HD PHE 22 0.094 4.096 -4.222 104 HD2 PHE 22 1HD PHE 22 -2.331 1.817 -6.876 105 HE1 PHE 22 2HE PHE 22 -0.557 6.160 -5.394 106 HE2 PHE 22 1HE PHE 22 -2.985 3.877 -8.052 107 HZ PHE 22 HZ PHE 22 -2.099 6.051 -7.311 108 H ARG 23 H ARG 23 -3.790 2.112 -3.872 109 HA ARG 23 HA ARG 23 -4.804 -0.598 -4.357 110 HB3 ARG 23 2HB ARG 23 -5.299 0.041 -2.008 111 HG3 ARG 23 2HG ARG 23 -6.177 2.496 -3.229 112 HD3 ARG 23 2HD ARG 23 -8.347 1.009 -2.811 113 HE ARG 23 HE ARG 23 -7.570 1.133 -0.241 114 HH11 ARG 23 1HH1 ARG 23 -10.186 2.636 -1.978 115 HH12 ARG 23 2HH1 ARG 23 -11.240 2.692 -0.604 116 HH21 ARG 23 1HH2 ARG 23 -8.948 1.201 1.576 117 HH22 ARG 23 2HH2 ARG 23 -10.534 1.875 1.417 118 H ASP 24 H ASP 24 -4.125 1.510 -6.190 119 HA ASP 24 HA ASP 24 -4.950 2.436 -8.099 120 HB3 ASP 24 2HB ASP 24 -7.657 1.736 -8.205 121 H GLY 25 H GLY 25 -5.810 4.393 -8.653 122 HA2 GLY 25 2HA GLY 25 -7.248 6.242 -8.475 123 HA3 GLY 25 3HA GLY 25 -7.869 5.587 -6.966 124 H LEU 26 H LEU 26 -5.779 5.321 -5.358 125 HA LEU 26 HA LEU 26 -4.009 7.581 -5.443 126 HB3 LEU 26 2HB LEU 26 -5.632 8.934 -4.587 127 HG LEU 26 HG LEU 26 -6.868 6.509 -3.381 128 HD11 LEU 26 1HD1 LEU 26 -7.962 9.051 -2.418 129 HD12 LEU 26 2HD1 LEU 26 -6.395 8.617 -1.735 130 HD13 LEU 26 3HD1 LEU 26 -7.759 7.509 -1.585 131 HD21 LEU 26 3HD2 LEU 26 -7.577 8.692 -5.230 132 HD22 LEU 26 1HD2 LEU 26 -8.859 8.150 -4.147 133 HD23 LEU 26 2HD2 LEU 26 -8.071 6.997 -5.225 134 HA PRO 27 HA PRO 27 -1.559 5.008 -2.867 135 HB3 PRO 27 2HB PRO 27 0.131 6.542 -3.120 136 HG3 PRO 27 2HG PRO 27 -0.318 8.824 -3.166 137 HD3 PRO 27 2HD PRO 27 -1.858 8.085 -4.714 Start of MODEL 13 1 H1 SER 1 H SER 1 -4.251 4.986 -1.984 2 HA SER 1 HA SER 1 -4.220 6.650 0.419 3 HB3 SER 1 2HB SER 1 -6.037 6.635 -1.512 4 HG SER 1 HG SER 1 -7.518 5.060 0.182 5 H CYS 2 H CYS 2 -2.990 3.940 0.229 6 HA CYS 2 HA CYS 2 -4.574 2.601 2.324 7 HB3 CYS 2 2HB CYS 2 -2.920 0.640 1.441 8 H GLY 3 H GLY 3 -3.711 2.894 4.267 9 HA2 GLY 3 2HA GLY 3 -1.029 3.743 4.680 10 HA3 GLY 3 3HA GLY 3 -2.162 3.248 5.930 11 H GLY 4 H GLY 4 -0.869 1.953 7.143 12 HA2 GLY 4 2HA GLY 4 0.187 0.007 7.758 13 HA3 GLY 4 3HA GLY 4 -0.430 -0.703 6.273 14 H SER 5 H SER 5 2.175 -1.054 7.553 15 HA SER 5 HA SER 5 3.984 0.225 5.636 16 HB3 SER 5 2HB SER 5 5.217 0.436 7.508 17 HG SER 5 HG SER 5 3.751 -1.690 8.689 18 H CYS 6 H CYS 6 5.485 -0.994 4.417 19 HA CYS 6 HA CYS 6 4.422 -3.469 3.433 20 HB3 CYS 6 2HB CYS 6 6.778 -3.316 2.171 21 H PHE 7 H PHE 7 6.793 -2.549 5.754 22 HA PHE 7 HA PHE 7 8.272 -5.005 5.711 23 HB3 PHE 7 2HB PHE 7 8.170 -3.035 7.993 24 HD1 PHE 7 1HD PHE 7 11.057 -4.107 6.001 25 HD2 PHE 7 2HD PHE 7 8.881 -4.640 9.621 26 HE1 PHE 7 1HE PHE 7 12.934 -5.393 6.937 27 HE2 PHE 7 2HE PHE 7 10.756 -5.925 10.561 28 HZ PHE 7 HZ PHE 7 12.786 -6.303 9.219 29 H GLY 8 H GLY 8 5.290 -4.018 7.029 30 HA2 GLY 8 2HA GLY 8 5.186 -6.505 8.612 31 HA3 GLY 8 3HA GLY 8 4.589 -4.993 9.282 32 H GLY 9 H GLY 9 4.136 -5.576 5.906 33 HA2 GLY 9 2HA GLY 9 2.283 -6.445 4.756 34 HA3 GLY 9 3HA GLY 9 1.464 -6.674 6.294 35 H CYS 10 H CYS 10 0.980 -5.195 3.574 36 HA CYS 10 HA CYS 10 0.606 -2.466 4.255 37 HB3 CYS 10 2HB CYS 10 -1.088 -2.753 2.200 38 H TRP 11 H TRP 11 -1.685 -1.481 3.969 39 HA TRP 11 HA TRP 11 -3.220 -2.131 6.180 40 HB3 TRP 11 2HB TRP 11 -4.949 -0.974 4.236 41 HD1 TRP 11 HD TRP 11 -2.475 -0.146 7.088 42 HE1 TRP 11 1HE TRP 11 -3.612 1.538 8.668 43 HE3 TRP 11 3HE TRP 11 -6.774 0.670 4.444 44 HZ2 TRP 11 2HZ TRP 11 -6.014 3.017 8.778 45 HZ3 TRP 11 3HZ TRP 11 -8.441 2.234 5.358 46 HH2 TRP 11 HH TRP 11 -8.067 3.381 7.479 47 HA HYP 12 HA HYP 12 -5.895 -5.446 5.178 48 HB2 HYP 12 3HB HYP 12 -7.576 -5.328 6.716 49 HB3 HYP 12 2HB HYP 12 -8.271 -3.879 5.975 50 HG HYP 12 HG HYP 12 -7.526 -3.261 8.019 51 HD22 HYP 12 2HD2 HYP 12 -6.743 -1.814 6.302 52 HD23 HYP 12 3HD2 HYP 12 -5.257 -2.171 7.215 53 HD1 HYP 12 1HD HYP 12 -5.576 -5.236 7.583 54 H GLY 13 H GLY 13 -6.283 -6.028 3.165 55 HA2 GLY 13 2HA GLY 13 -7.702 -6.248 1.298 56 HA3 GLY 13 3HA GLY 13 -8.429 -4.698 1.697 57 H CYS 14 H CYS 14 -5.095 -4.480 1.868 58 HA CYS 14 HA CYS 14 -4.988 -3.330 -0.841 59 HB3 CYS 14 2HB CYS 14 -3.382 -1.749 -0.056 60 H SER 15 H SER 15 -2.291 -3.031 -1.143 61 HA SER 15 HA SER 15 -1.022 -5.609 -0.686 62 HB3 SER 15 2HB SER 15 -0.987 -6.354 -2.829 63 HG SER 15 HG SER 15 -3.110 -6.178 -2.935 64 H CYS 16 H CYS 16 1.265 -5.605 -1.251 65 HA CYS 16 HA CYS 16 2.409 -2.923 -0.935 66 HB3 CYS 16 2HB CYS 16 3.650 -5.646 -0.486 67 H TYR 17 H TYR 17 3.030 -1.975 -2.755 68 HA TYR 17 HA TYR 17 4.546 -3.549 -4.712 69 HB3 TYR 17 2HB TYR 17 2.299 -1.636 -5.384 70 HD1 TYR 17 2HD TYR 17 4.815 -3.993 -6.822 71 HD2 TYR 17 1HD TYR 17 2.226 -0.683 -7.492 72 HE1 TYR 17 2HE TYR 17 5.725 -3.749 -9.094 73 HE2 TYR 17 1HE TYR 17 3.127 -0.431 -9.767 74 HH TYR 17 HH TYR 17 4.569 -1.187 -11.270 75 H ALA 18 H ALA 18 6.372 -2.589 -5.341 76 HA ALA 18 HA ALA 18 8.009 -1.034 -5.634 77 HB1 ALA 18 1HB ALA 18 7.439 1.080 -6.404 78 HB2 ALA 18 2HB ALA 18 6.024 0.112 -6.821 79 HB3 ALA 18 3HB ALA 18 5.988 1.162 -5.404 80 H ARG 19 H ARG 19 7.665 -1.982 -3.076 81 HA ARG 19 HA ARG 19 8.171 -1.581 -0.895 82 HB3 ARG 19 2HB ARG 19 9.850 0.094 -0.452 83 HG3 ARG 19 2HG ARG 19 10.509 -0.667 -3.261 84 HD3 ARG 19 2HD ARG 19 11.981 0.506 -1.345 85 HE ARG 19 HE ARG 19 11.848 -2.100 -0.376 86 HH11 ARG 19 1HH1 ARG 19 14.267 0.235 -1.276 87 HH12 ARG 19 2HH1 ARG 19 15.450 -0.366 -0.162 88 HH21 ARG 19 1HH2 ARG 19 13.396 -2.901 1.096 89 HH22 ARG 19 2HH2 ARG 19 14.954 -2.150 1.187 90 H THR 20 H THR 20 5.725 -0.333 -2.150 91 HA THR 20 HA THR 20 5.007 1.286 0.153 92 HB THR 20 HB THR 20 4.322 2.454 -2.517 93 HG1 THR 20 1HG THR 20 6.250 3.763 -2.279 94 HG21 THR 20 3HG2 THR 20 4.563 4.557 -1.042 95 HG22 THR 20 1HG2 THR 20 4.560 3.429 0.312 96 HG23 THR 20 2HG2 THR 20 3.173 3.506 -0.775 97 H CYS 21 H CYS 21 2.651 1.802 0.161 98 HA CYS 21 HA CYS 21 1.171 -0.502 -0.845 99 HB3 CYS 21 2HB CYS 21 -0.634 0.326 0.667 100 H PHE 22 H PHE 22 -0.712 -0.339 -2.076 101 HA PHE 22 HA PHE 22 -1.659 2.218 -2.999 102 HB3 PHE 22 2HB PHE 22 -0.869 0.504 -5.275 103 HD1 PHE 22 2HD PHE 22 0.345 3.799 -4.077 104 HD2 PHE 22 1HD PHE 22 -2.088 1.690 -6.860 105 HE1 PHE 22 2HE PHE 22 -0.054 5.891 -5.308 106 HE2 PHE 22 1HE PHE 22 -2.490 3.779 -8.096 107 HZ PHE 22 HZ PHE 22 -1.474 5.883 -7.320 108 H ARG 23 H ARG 23 -3.703 2.114 -3.869 109 HA ARG 23 HA ARG 23 -4.886 -0.568 -4.146 110 HB3 ARG 23 2HB ARG 23 -5.728 0.150 -2.074 111 HG3 ARG 23 2HG ARG 23 -5.503 2.822 -3.191 112 HD3 ARG 23 2HD ARG 23 -8.073 2.250 -2.963 113 HE ARG 23 HE ARG 23 -7.265 2.238 -0.225 114 HH11 ARG 23 1HH1 ARG 23 -9.816 3.182 -2.399 115 HH12 ARG 23 2HH1 ARG 23 -11.053 3.105 -1.189 116 HH21 ARG 23 1HH2 ARG 23 -8.885 2.133 1.377 117 HH22 ARG 23 2HH2 ARG 23 -10.522 2.508 0.958 118 H ASP 24 H ASP 24 -3.858 1.432 -6.101 119 HA ASP 24 HA ASP 24 -4.409 2.147 -8.190 120 HB3 ASP 24 2HB ASP 24 -7.044 1.327 -8.636 121 H GLY 25 H GLY 25 -5.094 4.078 -8.930 122 HA2 GLY 25 2HA GLY 25 -6.555 5.902 -9.174 123 HA3 GLY 25 3HA GLY 25 -7.503 5.294 -7.824 124 H LEU 26 H LEU 26 -5.751 5.104 -5.795 125 HA LEU 26 HA LEU 26 -4.283 7.611 -5.591 126 HB3 LEU 26 2HB LEU 26 -5.418 8.410 -3.683 127 HG LEU 26 HG LEU 26 -7.451 7.501 -5.703 128 HD11 LEU 26 1HD1 LEU 26 -8.506 7.640 -3.474 129 HD12 LEU 26 2HD1 LEU 26 -9.098 8.865 -4.596 130 HD13 LEU 26 3HD1 LEU 26 -7.941 9.306 -3.339 131 HD21 LEU 26 3HD2 LEU 26 -7.224 9.560 -6.634 132 HD22 LEU 26 1HD2 LEU 26 -5.607 9.403 -5.949 133 HD23 LEU 26 2HD2 LEU 26 -6.837 10.337 -5.099 134 HA PRO 27 HA PRO 27 -1.516 5.201 -3.179 135 HB3 PRO 27 2HB PRO 27 -0.063 6.977 -3.295 136 HG3 PRO 27 2HG PRO 27 -0.839 9.168 -3.215 137 HD3 PRO 27 2HD PRO 27 -2.231 8.315 -4.841 Start of MODEL 14 1 H1 SER 1 H SER 1 -3.922 6.272 -2.054 2 HA SER 1 HA SER 1 -1.138 6.117 -1.183 3 HB3 SER 1 2HB SER 1 -1.810 8.511 -1.019 4 HG SER 1 HG SER 1 -3.377 9.043 0.555 5 H CYS 2 H CYS 2 -0.827 5.005 0.746 6 HA CYS 2 HA CYS 2 -3.067 4.117 2.325 7 HB3 CYS 2 2HB CYS 2 -1.674 1.719 1.560 8 H GLY 3 H GLY 3 -2.463 3.576 4.366 9 HA2 GLY 3 2HA GLY 3 0.272 4.092 5.106 10 HA3 GLY 3 3HA GLY 3 -1.052 3.708 6.197 11 H GLY 4 H GLY 4 -0.057 2.165 7.420 12 HA2 GLY 4 2HA GLY 4 0.645 0.051 7.978 13 HA3 GLY 4 3HA GLY 4 0.003 -0.478 6.431 14 H SER 5 H SER 5 2.366 -1.467 7.673 15 HA SER 5 HA SER 5 4.521 -0.349 6.028 16 HB3 SER 5 2HB SER 5 5.642 -0.608 7.963 17 HG SER 5 HG SER 5 4.012 -0.889 9.353 18 H CYS 6 H CYS 6 5.855 -1.712 4.753 19 HA CYS 6 HA CYS 6 4.392 -3.785 3.407 20 HB3 CYS 6 2HB CYS 6 6.810 -3.967 2.277 21 H PHE 7 H PHE 7 6.714 -3.638 5.942 22 HA PHE 7 HA PHE 7 7.648 -6.345 5.648 23 HB3 PHE 7 2HB PHE 7 7.912 -4.631 8.114 24 HD1 PHE 7 2HD PHE 7 10.018 -6.686 5.817 25 HD2 PHE 7 1HD PHE 7 8.735 -5.935 9.805 26 HE1 PHE 7 2HE PHE 7 11.534 -8.444 6.632 27 HE2 PHE 7 1HE PHE 7 10.250 -7.691 10.627 28 HZ PHE 7 HZ PHE 7 11.651 -8.949 9.040 29 H GLY 8 H GLY 8 4.914 -4.841 7.005 30 HA2 GLY 8 2HA GLY 8 4.223 -7.363 8.376 31 HA3 GLY 8 3HA GLY 8 3.909 -5.807 9.130 32 H GLY 9 H GLY 9 3.519 -6.089 5.705 33 HA2 GLY 9 2HA GLY 9 1.592 -6.475 4.426 34 HA3 GLY 9 3HA GLY 9 0.667 -6.644 5.912 35 H CYS 10 H CYS 10 0.599 -4.918 3.304 36 HA CYS 10 HA CYS 10 0.730 -2.221 4.198 37 HB3 CYS 10 2HB CYS 10 -0.854 -2.018 2.044 38 H TRP 11 H TRP 11 -1.319 -0.795 3.863 39 HA TRP 11 HA TRP 11 -3.072 -1.245 5.944 40 HB3 TRP 11 2HB TRP 11 -4.473 0.249 3.967 41 HD1 TRP 11 HD TRP 11 -2.052 0.550 6.965 42 HE1 TRP 11 1HE TRP 11 -2.967 2.358 8.553 43 HE3 TRP 11 3HE TRP 11 -5.996 2.181 4.151 44 HZ2 TRP 11 2HZ TRP 11 -5.081 4.227 8.605 45 HZ3 TRP 11 3HZ TRP 11 -7.415 3.982 5.042 46 HH2 TRP 11 HH TRP 11 -6.966 4.983 7.223 47 HA HYP 12 HA HYP 12 -6.227 -4.007 4.689 48 HB2 HYP 12 3HB HYP 12 -7.950 -3.630 6.134 49 HB3 HYP 12 2HB HYP 12 -8.337 -2.066 5.403 50 HG HYP 12 HG HYP 12 -7.617 -1.630 7.504 51 HD22 HYP 12 2HD2 HYP 12 -6.490 -0.308 5.880 52 HD23 HYP 12 3HD2 HYP 12 -5.149 -0.942 6.862 53 HD1 HYP 12 1HD HYP 12 -6.022 -3.909 7.114 54 H GLY 13 H GLY 13 -6.591 -4.469 2.641 55 HA2 GLY 13 2HA GLY 13 -7.918 -4.392 0.695 56 HA3 GLY 13 3HA GLY 13 -8.374 -2.744 1.098 57 H CYS 14 H CYS 14 -5.075 -3.120 1.466 58 HA CYS 14 HA CYS 14 -4.588 -2.057 -1.240 59 HB3 CYS 14 2HB CYS 14 -2.506 -1.036 -0.000 60 H SER 15 H SER 15 -1.987 -2.166 -1.551 61 HA SER 15 HA SER 15 -1.020 -4.807 -0.758 62 HB3 SER 15 2HB SER 15 -1.419 -5.720 -2.765 63 HG SER 15 HG SER 15 -1.949 -3.459 -4.236 64 H CYS 16 H CYS 16 1.285 -5.119 -1.282 65 HA CYS 16 HA CYS 16 2.729 -2.601 -0.935 66 HB3 CYS 16 2HB CYS 16 3.662 -5.461 -0.617 67 H TYR 17 H TYR 17 3.025 -1.709 -2.915 68 HA TYR 17 HA TYR 17 4.537 -3.316 -4.866 69 HB3 TYR 17 2HB TYR 17 2.379 -1.277 -5.450 70 HD1 TYR 17 2HD TYR 17 4.608 -3.807 -7.072 71 HD2 TYR 17 1HD TYR 17 2.456 -0.159 -7.461 72 HE1 TYR 17 2HE TYR 17 5.484 -3.541 -9.355 73 HE2 TYR 17 1HE TYR 17 3.324 0.117 -9.746 74 HH TYR 17 HH TYR 17 5.647 -0.891 -10.966 75 H ALA 18 H ALA 18 6.408 -2.461 -5.504 76 HA ALA 18 HA ALA 18 8.131 -1.004 -5.808 77 HB1 ALA 18 1HB ALA 18 6.221 0.259 -6.981 78 HB2 ALA 18 2HB ALA 18 6.224 1.293 -5.552 79 HB3 ALA 18 3HB ALA 18 7.675 1.157 -6.544 80 H ARG 19 H ARG 19 7.758 -1.942 -3.248 81 HA ARG 19 HA ARG 19 8.316 -1.579 -1.072 82 HB3 ARG 19 2HB ARG 19 9.736 0.882 -1.229 83 HG3 ARG 19 2HG ARG 19 11.501 -1.320 -1.560 84 HD3 ARG 19 2HD ARG 19 10.663 0.194 0.911 85 HE ARG 19 HE ARG 19 12.701 -1.780 0.545 86 HH11 ARG 19 1HH1 ARG 19 11.881 1.156 2.227 87 HH12 ARG 19 2HH1 ARG 19 12.950 0.848 3.556 88 HH21 ARG 19 1HH2 ARG 19 14.113 -2.197 2.288 89 HH22 ARG 19 2HH2 ARG 19 14.220 -1.060 3.588 90 H THR 20 H THR 20 5.927 -0.191 -2.294 91 HA THR 20 HA THR 20 5.325 1.451 0.025 92 HB THR 20 HB THR 20 4.673 2.670 -2.630 93 HG1 THR 20 1HG THR 20 6.659 3.426 -2.883 94 HG21 THR 20 3HG2 THR 20 5.242 4.698 -0.964 95 HG22 THR 20 1HG2 THR 20 4.758 3.479 0.215 96 HG23 THR 20 2HG2 THR 20 3.646 3.956 -1.068 97 H CYS 21 H CYS 21 3.000 2.094 0.063 98 HA CYS 21 HA CYS 21 1.384 -0.104 -0.992 99 HB3 CYS 21 2HB CYS 21 -0.300 0.602 0.644 100 H PHE 22 H PHE 22 0.049 0.163 -2.651 101 HA PHE 22 HA PHE 22 -1.279 2.678 -3.136 102 HB3 PHE 22 2HB PHE 22 -0.008 1.842 -5.617 103 HD1 PHE 22 2HD PHE 22 0.823 4.542 -3.202 104 HD2 PHE 22 1HD PHE 22 -1.024 3.486 -6.887 105 HE1 PHE 22 2HE PHE 22 0.457 6.925 -3.696 106 HE2 PHE 22 1HE PHE 22 -1.393 5.867 -7.388 107 HZ PHE 22 HZ PHE 22 -0.653 7.590 -5.792 108 H ARG 23 H ARG 23 -3.182 2.415 -4.196 109 HA ARG 23 HA ARG 23 -3.691 -0.054 -5.659 110 HB3 ARG 23 2HB ARG 23 -4.302 -0.484 -3.277 111 HG3 ARG 23 2HG ARG 23 -6.231 1.759 -3.773 112 HD3 ARG 23 2HD ARG 23 -7.305 1.067 -1.643 113 HE ARG 23 HE ARG 23 -7.694 -0.288 -4.114 114 HH11 ARG 23 1HH1 ARG 23 -8.613 -0.306 -0.756 115 HH12 ARG 23 2HH1 ARG 23 -10.141 -1.071 -1.044 116 HH21 ARG 23 1HH2 ARG 23 -9.703 -1.294 -4.505 117 HH22 ARG 23 2HH2 ARG 23 -10.760 -1.632 -3.176 118 H ASP 24 H ASP 24 -5.277 0.123 -7.211 119 HA ASP 24 HA ASP 24 -5.774 2.604 -8.342 120 HB3 ASP 24 2HB ASP 24 -7.841 1.207 -9.342 121 H GLY 25 H GLY 25 -7.235 4.180 -8.040 122 HA2 GLY 25 2HA GLY 25 -9.306 5.109 -7.422 123 HA3 GLY 25 3HA GLY 25 -9.684 3.630 -6.550 124 H LEU 26 H LEU 26 -6.914 3.809 -5.301 125 HA LEU 26 HA LEU 26 -7.360 6.064 -3.479 126 HB3 LEU 26 2HB LEU 26 -6.577 4.349 -1.658 127 HG LEU 26 HG LEU 26 -9.282 4.966 -2.579 128 HD11 LEU 26 1HD1 LEU 26 -9.427 2.520 -2.597 129 HD12 LEU 26 2HD1 LEU 26 -10.386 3.225 -1.295 130 HD13 LEU 26 3HD1 LEU 26 -8.829 2.476 -0.938 131 HD21 LEU 26 3HD2 LEU 26 -9.574 5.118 -0.067 132 HD22 LEU 26 1HD2 LEU 26 -8.388 6.208 -0.785 133 HD23 LEU 26 2HD2 LEU 26 -7.852 4.755 0.059 134 HA PRO 27 HA PRO 27 -2.947 5.733 -4.870 135 HB3 PRO 27 2HB PRO 27 -3.305 7.226 -6.578 136 HG3 PRO 27 2HG PRO 27 -5.075 8.732 -6.503 137 HD3 PRO 27 2HD PRO 27 -6.196 6.779 -6.017 Start of MODEL 15 1 H1 SER 1 H SER 1 -4.254 4.846 -1.686 2 HA SER 1 HA SER 1 -3.982 6.469 0.726 3 HB3 SER 1 2HB SER 1 -5.916 7.070 -0.472 4 HG SER 1 HG SER 1 -7.299 5.600 -1.393 5 H CYS 2 H CYS 2 -2.802 3.771 0.489 6 HA CYS 2 HA CYS 2 -4.294 2.423 2.645 7 HB3 CYS 2 2HB CYS 2 -2.806 0.415 1.774 8 H GLY 3 H GLY 3 -3.351 2.470 4.569 9 HA2 GLY 3 2HA GLY 3 -0.745 3.513 4.974 10 HA3 GLY 3 3HA GLY 3 -1.755 2.756 6.197 11 H GLY 4 H GLY 4 -0.276 1.467 7.185 12 HA2 GLY 4 2HA GLY 4 1.118 -0.328 7.502 13 HA3 GLY 4 3HA GLY 4 0.317 -1.036 6.107 14 H SER 5 H SER 5 2.648 -1.908 6.042 15 HA SER 5 HA SER 5 3.998 -0.517 3.920 16 HB3 SER 5 2HB SER 5 5.792 -1.068 6.239 17 HG SER 5 HG SER 5 6.946 0.575 5.296 18 H CYS 6 H CYS 6 5.920 -1.761 3.149 19 HA CYS 6 HA CYS 6 5.280 -4.431 2.704 20 HB3 CYS 6 2HB CYS 6 7.910 -4.486 2.195 21 H PHE 7 H PHE 7 6.874 -2.957 5.373 22 HA PHE 7 HA PHE 7 8.420 -5.077 6.334 23 HB3 PHE 7 2HB PHE 7 6.970 -2.889 7.836 24 HD1 PHE 7 1HD PHE 7 9.903 -5.187 8.108 25 HD2 PHE 7 2HD PHE 7 6.807 -3.060 10.110 26 HE1 PHE 7 1HE PHE 7 10.652 -6.124 10.257 27 HE2 PHE 7 2HE PHE 7 7.551 -3.992 12.261 28 HZ PHE 7 HZ PHE 7 9.476 -5.526 12.336 29 H GLY 8 H GLY 8 5.398 -4.073 7.917 30 HA2 GLY 8 2HA GLY 8 4.927 -6.869 8.643 31 HA3 GLY 8 3HA GLY 8 4.138 -5.467 9.352 32 H GLY 9 H GLY 9 4.348 -5.533 5.924 33 HA2 GLY 9 2HA GLY 9 2.812 -6.283 4.315 34 HA3 GLY 9 3HA GLY 9 1.747 -6.812 5.609 35 H CYS 10 H CYS 10 1.561 -4.971 3.121 36 HA CYS 10 HA CYS 10 1.018 -2.361 3.918 37 HB3 CYS 10 2HB CYS 10 -0.725 -2.616 1.898 38 H TRP 11 H TRP 11 -1.319 -1.422 3.666 39 HA TRP 11 HA TRP 11 -2.778 -2.077 5.914 40 HB3 TRP 11 2HB TRP 11 -4.599 -1.069 3.960 41 HD1 TRP 11 HD TRP 11 -2.168 -0.081 6.794 42 HE1 TRP 11 1HE TRP 11 -3.372 1.595 8.334 43 HE3 TRP 11 3HE TRP 11 -6.478 0.534 4.113 44 HZ2 TRP 11 2HZ TRP 11 -5.824 2.991 8.403 45 HZ3 TRP 11 3HZ TRP 11 -8.203 2.056 4.986 46 HH2 TRP 11 HH TRP 11 -7.881 3.258 7.087 47 HA HYP 12 HA HYP 12 -5.283 -5.570 5.094 48 HB2 HYP 12 3HB HYP 12 -6.873 -5.527 6.729 49 HB3 HYP 12 2HB HYP 12 -7.691 -4.127 6.020 50 HG HYP 12 HG HYP 12 -6.878 -3.481 8.019 51 HD22 HYP 12 2HD2 HYP 12 -6.297 -1.992 6.259 52 HD23 HYP 12 3HD2 HYP 12 -4.740 -2.244 7.083 53 HD1 HYP 12 1HD HYP 12 -4.828 -5.322 7.469 54 H GLY 13 H GLY 13 -5.738 -6.180 3.101 55 HA2 GLY 13 2HA GLY 13 -7.232 -6.502 1.314 56 HA3 GLY 13 3HA GLY 13 -8.056 -5.017 1.764 57 H CYS 14 H CYS 14 -4.684 -4.695 1.672 58 HA CYS 14 HA CYS 14 -4.841 -3.504 -1.020 59 HB3 CYS 14 2HB CYS 14 -3.335 -1.778 -0.332 60 H SER 15 H SER 15 -2.215 -2.976 -1.479 61 HA SER 15 HA SER 15 -0.745 -5.473 -1.090 62 HB3 SER 15 2HB SER 15 -0.615 -6.063 -3.289 63 HG SER 15 HG SER 15 -2.732 -4.509 -4.063 64 H CYS 16 H CYS 16 1.539 -5.292 -1.720 65 HA CYS 16 HA CYS 16 2.500 -2.524 -1.404 66 HB3 CYS 16 2HB CYS 16 4.162 -4.937 -0.752 67 H TYR 17 H TYR 17 3.011 -1.792 -3.376 68 HA TYR 17 HA TYR 17 4.760 -3.476 -5.045 69 HB3 TYR 17 2HB TYR 17 2.625 -1.543 -5.974 70 HD1 TYR 17 1HD TYR 17 4.677 -4.359 -7.341 71 HD2 TYR 17 2HD TYR 17 3.197 -0.409 -7.895 72 HE1 TYR 17 1HE TYR 17 5.738 -4.279 -9.557 73 HE2 TYR 17 2HE TYR 17 4.252 -0.319 -10.115 74 HH TYR 17 HH TYR 17 6.206 -1.464 -11.271 75 H ALA 18 H ALA 18 6.663 -2.614 -5.567 76 HA ALA 18 HA ALA 18 8.368 -1.129 -5.833 77 HB1 ALA 18 1HB ALA 18 7.934 0.893 -6.844 78 HB2 ALA 18 2HB ALA 18 6.465 -0.009 -7.221 79 HB3 ALA 18 3HB ALA 18 6.463 1.168 -5.908 80 H ARG 19 H ARG 19 7.929 -1.886 -3.279 81 HA ARG 19 HA ARG 19 8.232 -1.338 -1.087 82 HB3 ARG 19 2HB ARG 19 9.749 0.742 -0.785 83 HG3 ARG 19 2HG ARG 19 11.287 -0.928 -2.581 84 HD3 ARG 19 2HD ARG 19 12.021 0.468 -0.570 85 HE ARG 19 HE ARG 19 10.430 -1.362 0.852 86 HH11 ARG 19 1HH1 ARG 19 13.569 0.140 0.975 87 HH12 ARG 19 2HH1 ARG 19 13.685 0.056 2.702 88 HH21 ARG 19 1HH2 ARG 19 10.572 -1.477 3.126 89 HH22 ARG 19 2HH2 ARG 19 11.980 -0.865 3.924 90 H THR 20 H THR 20 5.841 -0.294 -2.417 91 HA THR 20 HA THR 20 5.117 1.662 -0.393 92 HB THR 20 HB THR 20 4.355 2.360 -3.202 93 HG1 THR 20 1HG THR 20 6.288 3.132 -3.642 94 HG21 THR 20 3HG2 THR 20 3.297 3.921 -1.989 95 HG22 THR 20 1HG2 THR 20 4.886 4.653 -1.773 96 HG23 THR 20 2HG2 THR 20 4.242 3.563 -0.545 97 H CYS 21 H CYS 21 2.744 2.131 -0.443 98 HA CYS 21 HA CYS 21 1.295 -0.311 -1.192 99 HB3 CYS 21 2HB CYS 21 -0.414 0.490 0.452 100 H PHE 22 H PHE 22 -0.687 -0.212 -2.267 101 HA PHE 22 HA PHE 22 -1.797 2.301 -3.113 102 HB3 PHE 22 2HB PHE 22 -1.095 0.633 -5.452 103 HD1 PHE 22 2HD PHE 22 0.099 3.968 -4.368 104 HD2 PHE 22 1HD PHE 22 -2.532 1.774 -6.894 105 HE1 PHE 22 2HE PHE 22 -0.486 6.041 -5.554 106 HE2 PHE 22 1HE PHE 22 -3.120 3.846 -8.085 107 HZ PHE 22 HZ PHE 22 -2.098 5.983 -7.415 108 H ARG 23 H ARG 23 -3.894 2.112 -3.825 109 HA ARG 23 HA ARG 23 -4.969 -0.608 -4.124 110 HB3 ARG 23 2HB ARG 23 -5.602 -0.085 -1.918 111 HG3 ARG 23 2HG ARG 23 -6.086 2.682 -2.933 112 HD3 ARG 23 2HD ARG 23 -6.989 2.832 -0.401 113 HE ARG 23 HE ARG 23 -8.236 3.014 -2.903 114 HH11 ARG 23 1HH1 ARG 23 -9.030 2.457 0.440 115 HH12 ARG 23 2HH1 ARG 23 -10.624 3.121 0.308 116 HH21 ARG 23 1HH2 ARG 23 -10.334 3.891 -3.090 117 HH22 ARG 23 2HH2 ARG 23 -11.365 3.936 -1.701 118 H ASP 24 H ASP 24 -4.263 1.527 -6.042 119 HA ASP 24 HA ASP 24 -5.080 2.342 -8.004 120 HB3 ASP 24 2HB ASP 24 -6.875 1.270 -9.023 121 H GLY 25 H GLY 25 -5.891 4.292 -8.545 122 HA2 GLY 25 2HA GLY 25 -7.401 6.090 -8.495 123 HA3 GLY 25 3HA GLY 25 -8.160 5.385 -7.076 124 H LEU 26 H LEU 26 -6.191 5.135 -5.280 125 HA LEU 26 HA LEU 26 -4.731 7.650 -5.123 126 HB3 LEU 26 2HB LEU 26 -5.644 8.341 -3.061 127 HG LEU 26 HG LEU 26 -7.890 7.494 -4.873 128 HD11 LEU 26 1HD1 LEU 26 -7.992 8.561 -2.120 129 HD12 LEU 26 2HD1 LEU 26 -9.161 7.584 -3.007 130 HD13 LEU 26 3HD1 LEU 26 -9.058 9.319 -3.303 131 HD21 LEU 26 3HD2 LEU 26 -7.587 9.468 -5.860 132 HD22 LEU 26 1HD2 LEU 26 -6.056 9.563 -4.990 133 HD23 LEU 26 2HD2 LEU 26 -7.502 10.315 -4.315 134 HA PRO 27 HA PRO 27 -1.681 5.165 -3.171 135 HB3 PRO 27 2HB PRO 27 -0.267 6.966 -3.366 136 HG3 PRO 27 2HG PRO 27 -1.047 9.139 -3.086 137 HD3 PRO 27 2HD PRO 27 -2.611 8.346 -4.582 Start of MODEL 16 1 H1 SER 1 H SER 1 -3.448 4.418 -3.225 2 HA SER 1 HA SER 1 -1.379 5.393 -1.367 3 HB3 SER 1 2HB SER 1 -2.677 7.152 -2.604 4 HG SER 1 HG SER 1 -4.868 6.802 -0.971 5 H CYS 2 H CYS 2 -1.298 4.031 0.305 6 HA CYS 2 HA CYS 2 -3.766 3.534 1.792 7 HB3 CYS 2 2HB CYS 2 -2.010 1.194 1.758 8 H GLY 3 H GLY 3 -2.811 1.928 3.778 9 HA2 GLY 3 2HA GLY 3 -0.638 3.557 4.944 10 HA3 GLY 3 3HA GLY 3 -2.010 2.977 5.877 11 H GLY 4 H GLY 4 -0.744 1.859 7.360 12 HA2 GLY 4 2HA GLY 4 0.310 0.002 8.205 13 HA3 GLY 4 3HA GLY 4 -0.159 -0.823 6.726 14 H SER 5 H SER 5 2.071 -1.757 7.466 15 HA SER 5 HA SER 5 4.189 -0.218 6.111 16 HB3 SER 5 2HB SER 5 5.270 -2.315 7.745 17 HG SER 5 HG SER 5 6.454 -0.645 8.520 18 H CYS 6 H CYS 6 5.692 -1.372 4.816 19 HA CYS 6 HA CYS 6 4.489 -3.555 3.374 20 HB3 CYS 6 2HB CYS 6 6.884 -3.372 2.215 21 H PHE 7 H PHE 7 6.801 -3.188 5.898 22 HA PHE 7 HA PHE 7 8.195 -5.641 5.515 23 HB3 PHE 7 2HB PHE 7 7.885 -4.173 8.133 24 HD1 PHE 7 2HD PHE 7 10.842 -5.141 6.135 25 HD2 PHE 7 1HD PHE 7 8.493 -5.897 9.603 26 HE1 PHE 7 2HE PHE 7 12.584 -6.661 6.979 27 HE2 PHE 7 1HE PHE 7 10.230 -7.418 10.453 28 HZ PHE 7 HZ PHE 7 12.278 -7.802 9.140 29 H GLY 8 H GLY 8 5.110 -4.857 6.738 30 HA2 GLY 8 2HA GLY 8 4.820 -7.621 7.725 31 HA3 GLY 8 3HA GLY 8 4.196 -6.271 8.661 32 H GLY 9 H GLY 9 4.033 -6.084 5.215 33 HA2 GLY 9 2HA GLY 9 2.271 -6.609 3.753 34 HA3 GLY 9 3HA GLY 9 1.314 -7.133 5.130 35 H CYS 10 H CYS 10 1.072 -5.101 2.773 36 HA CYS 10 HA CYS 10 0.758 -2.545 3.916 37 HB3 CYS 10 2HB CYS 10 -0.941 -2.408 1.845 38 H TRP 11 H TRP 11 -1.483 -1.421 3.806 39 HA TRP 11 HA TRP 11 -3.052 -2.321 5.887 40 HB3 TRP 11 2HB TRP 11 -4.752 -0.876 4.122 41 HD1 TRP 11 HD TRP 11 -2.230 -0.471 7.026 42 HE1 TRP 11 1HE TRP 11 -3.313 1.023 8.820 43 HE3 TRP 11 3HE TRP 11 -6.540 0.756 4.566 44 HZ2 TRP 11 2HZ TRP 11 -5.682 2.523 9.149 45 HZ3 TRP 11 3HZ TRP 11 -8.163 2.225 5.691 46 HH2 TRP 11 HH TRP 11 -7.741 3.088 7.936 47 HA HYP 12 HA HYP 12 -5.834 -5.389 4.475 48 HB2 HYP 12 3HB HYP 12 -7.533 -5.396 5.998 49 HB3 HYP 12 2HB HYP 12 -8.169 -3.847 5.426 50 HG HYP 12 HG HYP 12 -7.448 -3.519 7.537 51 HD22 HYP 12 2HD2 HYP 12 -6.600 -1.896 6.020 52 HD23 HYP 12 3HD2 HYP 12 -5.140 -2.401 6.902 53 HD1 HYP 12 1HD HYP 12 -5.541 -5.478 6.889 54 H GLY 13 H GLY 13 -6.198 -5.708 2.398 55 HA2 GLY 13 2HA GLY 13 -7.595 -5.661 0.502 56 HA3 GLY 13 3HA GLY 13 -8.284 -4.150 1.075 57 H CYS 14 H CYS 14 -4.906 -4.189 1.242 58 HA CYS 14 HA CYS 14 -4.715 -2.761 -1.330 59 HB3 CYS 14 2HB CYS 14 -2.814 -1.484 -0.144 60 H SER 15 H SER 15 -2.117 -2.442 -1.681 61 HA SER 15 HA SER 15 -0.767 -4.990 -1.208 62 HB3 SER 15 2HB SER 15 -0.690 -5.668 -3.364 63 HG SER 15 HG SER 15 -2.794 -5.452 -3.586 64 H CYS 16 H CYS 16 1.532 -4.914 -1.646 65 HA CYS 16 HA CYS 16 2.604 -2.228 -1.190 66 HB3 CYS 16 2HB CYS 16 3.903 -4.942 -0.866 67 H TYR 17 H TYR 17 4.103 -1.277 -2.503 68 HA TYR 17 HA TYR 17 5.360 -2.695 -4.663 69 HB3 TYR 17 2HB TYR 17 3.285 -0.591 -5.315 70 HD1 TYR 17 1HD TYR 17 5.659 -3.088 -6.760 71 HD2 TYR 17 2HD TYR 17 3.427 0.484 -7.358 72 HE1 TYR 17 1HE TYR 17 6.711 -2.807 -8.965 73 HE2 TYR 17 2HE TYR 17 4.472 0.776 -9.565 74 HH TYR 17 HH TYR 17 6.851 -0.096 -10.602 75 H ALA 18 H ALA 18 7.269 -1.786 -5.073 76 HA ALA 18 HA ALA 18 9.039 -0.356 -4.939 77 HB1 ALA 18 1HB ALA 18 8.011 0.853 -6.673 78 HB2 ALA 18 2HB ALA 18 6.794 1.530 -5.592 79 HB3 ALA 18 3HB ALA 18 8.471 2.063 -5.474 80 H ARG 19 H ARG 19 8.333 -1.139 -2.480 81 HA ARG 19 HA ARG 19 8.493 -0.639 -0.266 82 HB3 ARG 19 2HB ARG 19 9.619 1.758 0.094 83 HG3 ARG 19 2HG ARG 19 11.512 -0.091 -1.192 84 HD3 ARG 19 2HD ARG 19 11.802 1.927 0.514 85 HE ARG 19 HE ARG 19 11.042 1.277 2.569 86 HH11 ARG 19 1HH1 ARG 19 12.692 -1.399 1.074 87 HH12 ARG 19 2HH1 ARG 19 12.626 -2.398 2.489 88 HH21 ARG 19 1HH2 ARG 19 10.949 -0.030 4.437 89 HH22 ARG 19 2HH2 ARG 19 11.634 -1.618 4.400 90 H THR 20 H THR 20 6.189 0.377 -1.978 91 HA THR 20 HA THR 20 5.086 2.190 0.060 92 HB THR 20 HB THR 20 4.015 2.610 -2.640 93 HG1 THR 20 1HG THR 20 5.803 3.529 -3.503 94 HG21 THR 20 3HG2 THR 20 3.555 4.647 -1.806 95 HG22 THR 20 1HG2 THR 20 5.179 4.850 -1.151 96 HG23 THR 20 2HG2 THR 20 3.972 3.934 -0.248 97 H CYS 21 H CYS 21 2.548 2.464 -0.833 98 HA CYS 21 HA CYS 21 1.544 -0.304 -0.973 99 HB3 CYS 21 2HB CYS 21 -0.496 0.771 0.261 100 H PHE 22 H PHE 22 -0.998 -0.096 -1.491 101 HA PHE 22 HA PHE 22 -1.643 1.933 -3.420 102 HB3 PHE 22 2HB PHE 22 -1.759 -0.775 -4.630 103 HD1 PHE 22 1HD PHE 22 -3.585 0.642 -5.761 104 HD2 PHE 22 2HD PHE 22 0.581 1.456 -6.082 105 HE1 PHE 22 1HE PHE 22 -4.002 1.956 -7.800 106 HE2 PHE 22 2HE PHE 22 0.170 2.772 -8.120 107 HZ PHE 22 HZ PHE 22 -2.123 3.023 -8.981 108 H ARG 23 H ARG 23 -3.817 2.095 -3.763 109 HA ARG 23 HA ARG 23 -5.522 -0.017 -2.625 110 HB3 ARG 23 2HB ARG 23 -5.316 1.919 -1.071 111 HG3 ARG 23 2HG ARG 23 -6.502 3.410 -3.385 112 HD3 ARG 23 2HD ARG 23 -6.572 5.218 -1.406 113 HE ARG 23 HE ARG 23 -8.580 3.751 -2.738 114 HH11 ARG 23 1HH1 ARG 23 -8.083 5.749 0.070 115 HH12 ARG 23 2HH1 ARG 23 -9.721 6.308 0.123 116 HH21 ARG 23 1HH2 ARG 23 -10.740 4.480 -2.678 117 HH22 ARG 23 2HH2 ARG 23 -11.232 5.584 -1.440 118 H ASP 24 H ASP 24 -7.980 1.010 -3.178 119 HA ASP 24 HA ASP 24 -8.055 0.777 -6.076 120 HB3 ASP 24 2HB ASP 24 -10.645 0.902 -5.440 121 H GLY 25 H GLY 25 -8.155 2.484 -7.369 122 HA2 GLY 25 2HA GLY 25 -9.059 4.501 -8.169 123 HA3 GLY 25 3HA GLY 25 -9.691 4.829 -6.561 124 H LEU 26 H LEU 26 -6.898 4.091 -5.526 125 HA LEU 26 HA LEU 26 -5.371 6.405 -6.434 126 HB3 LEU 26 2HB LEU 26 -4.949 7.022 -4.020 127 HG LEU 26 HG LEU 26 -7.131 7.830 -5.618 128 HD11 LEU 26 1HD1 LEU 26 -7.926 7.717 -2.720 129 HD12 LEU 26 2HD1 LEU 26 -8.480 6.546 -3.917 130 HD13 LEU 26 3HD1 LEU 26 -8.889 8.252 -4.098 131 HD21 LEU 26 3HD2 LEU 26 -5.427 8.910 -3.458 132 HD22 LEU 26 1HD2 LEU 26 -6.944 9.755 -3.765 133 HD23 LEU 26 2HD2 LEU 26 -5.770 9.551 -5.066 134 HA PRO 27 HA PRO 27 -1.906 3.771 -5.862 135 HB3 PRO 27 2HB PRO 27 -0.643 5.409 -6.862 136 HG3 PRO 27 2HG PRO 27 -1.066 7.661 -6.464 137 HD3 PRO 27 2HD PRO 27 -3.195 6.942 -6.981 Start of MODEL 17 1 H1 SER 1 H SER 1 -3.571 4.535 -3.105 2 HA SER 1 HA SER 1 -1.636 5.594 -1.156 3 HB3 SER 1 2HB SER 1 -3.045 7.288 -2.306 4 HG SER 1 HG SER 1 -5.304 7.290 -1.532 5 H CYS 2 H CYS 2 -1.426 3.962 0.297 6 HA CYS 2 HA CYS 2 -3.754 3.385 1.946 7 HB3 CYS 2 2HB CYS 2 -2.291 0.929 1.534 8 H GLY 3 H GLY 3 -3.262 2.989 4.070 9 HA2 GLY 3 2HA GLY 3 -0.648 3.763 4.947 10 HA3 GLY 3 3HA GLY 3 -1.986 3.266 5.972 11 H GLY 4 H GLY 4 -0.933 1.866 7.305 12 HA2 GLY 4 2HA GLY 4 -0.035 -0.137 7.979 13 HA3 GLY 4 3HA GLY 4 -0.505 -0.775 6.410 14 H SER 5 H SER 5 1.812 -1.600 7.686 15 HA SER 5 HA SER 5 3.987 -0.195 6.315 16 HB3 SER 5 2HB SER 5 4.975 -0.544 8.307 17 HG SER 5 HG SER 5 3.315 -2.748 8.917 18 H CYS 6 H CYS 6 5.567 -1.388 5.107 19 HA CYS 6 HA CYS 6 4.356 -3.479 3.512 20 HB3 CYS 6 2HB CYS 6 6.776 -3.270 2.420 21 H PHE 7 H PHE 7 6.567 -3.216 6.127 22 HA PHE 7 HA PHE 7 7.936 -5.692 5.685 23 HB3 PHE 7 2HB PHE 7 7.686 -4.250 8.323 24 HD1 PHE 7 1HD PHE 7 10.725 -5.025 6.431 25 HD2 PHE 7 2HD PHE 7 8.151 -6.227 9.601 26 HE1 PHE 7 1HE PHE 7 12.446 -6.592 7.230 27 HE2 PHE 7 2HE PHE 7 9.868 -7.796 10.405 28 HZ PHE 7 HZ PHE 7 12.020 -7.978 9.219 29 H GLY 8 H GLY 8 4.880 -4.836 6.923 30 HA2 GLY 8 2HA GLY 8 4.525 -7.593 7.909 31 HA3 GLY 8 3HA GLY 8 3.924 -6.227 8.836 32 H GLY 9 H GLY 9 3.789 -6.077 5.382 33 HA2 GLY 9 2HA GLY 9 2.022 -6.576 3.917 34 HA3 GLY 9 3HA GLY 9 1.043 -7.055 5.296 35 H CYS 10 H CYS 10 0.961 -5.003 2.902 36 HA CYS 10 HA CYS 10 0.665 -2.447 4.036 37 HB3 CYS 10 2HB CYS 10 -0.954 -2.258 1.910 38 H TRP 11 H TRP 11 -1.603 -1.298 3.712 39 HA TRP 11 HA TRP 11 -3.241 -2.058 5.795 40 HB3 TRP 11 2HB TRP 11 -4.874 -0.763 3.850 41 HD1 TRP 11 HD TRP 11 -2.558 -0.194 6.885 42 HE1 TRP 11 1HE TRP 11 -3.741 1.419 8.505 43 HE3 TRP 11 3HE TRP 11 -6.652 0.949 4.045 44 HZ2 TRP 11 2HZ TRP 11 -6.099 2.971 8.569 45 HZ3 TRP 11 3HZ TRP 11 -8.324 2.506 4.960 46 HH2 TRP 11 HH TRP 11 -8.052 3.494 7.175 47 HA HYP 12 HA HYP 12 -5.930 -5.264 4.513 48 HB2 HYP 12 3HB HYP 12 -7.658 -5.207 6.000 49 HB3 HYP 12 2HB HYP 12 -8.306 -3.706 5.324 50 HG HYP 12 HG HYP 12 -7.635 -3.246 7.426 51 HD22 HYP 12 2HD2 HYP 12 -6.785 -1.699 5.832 52 HD23 HYP 12 3HD2 HYP 12 -5.335 -2.125 6.771 53 HD1 HYP 12 1HD HYP 12 -5.683 -5.205 6.932 54 H GLY 13 H GLY 13 -6.243 -5.710 2.451 55 HA2 GLY 13 2HA GLY 13 -7.595 -5.800 0.526 56 HA3 GLY 13 3HA GLY 13 -8.330 -4.276 0.998 57 H CYS 14 H CYS 14 -4.967 -4.193 1.251 58 HA CYS 14 HA CYS 14 -4.741 -2.942 -1.409 59 HB3 CYS 14 2HB CYS 14 -2.951 -1.489 -0.281 60 H SER 15 H SER 15 -2.142 -2.542 -1.688 61 HA SER 15 HA SER 15 -0.728 -5.008 -1.002 62 HB3 SER 15 2HB SER 15 -0.365 -5.720 -3.153 63 HG SER 15 HG SER 15 -2.661 -5.617 -2.870 64 H CYS 16 H CYS 16 1.609 -4.878 -1.552 65 HA CYS 16 HA CYS 16 2.570 -2.146 -1.084 66 HB3 CYS 16 2HB CYS 16 3.972 -4.799 -0.690 67 H TYR 17 H TYR 17 4.130 -1.199 -2.356 68 HA TYR 17 HA TYR 17 5.406 -2.621 -4.502 69 HB3 TYR 17 2HB TYR 17 3.351 -0.504 -5.175 70 HD1 TYR 17 1HD TYR 17 4.576 -3.324 -7.203 71 HD2 TYR 17 2HD TYR 17 4.675 0.887 -6.606 72 HE1 TYR 17 1HE TYR 17 5.654 -3.044 -9.397 73 HE2 TYR 17 2HE TYR 17 5.751 1.179 -8.798 74 HH TYR 17 HH TYR 17 5.774 -1.052 -11.148 75 H ALA 18 H ALA 18 7.333 -1.735 -4.855 76 HA ALA 18 HA ALA 18 9.110 -0.316 -4.692 77 HB1 ALA 18 1HB ALA 18 8.844 1.804 -5.645 78 HB2 ALA 18 2HB ALA 18 7.582 0.825 -6.394 79 HB3 ALA 18 3HB ALA 18 7.175 1.943 -5.092 80 H ARG 19 H ARG 19 8.351 -1.076 -2.245 81 HA ARG 19 HA ARG 19 8.469 -0.560 -0.033 82 HB3 ARG 19 2HB ARG 19 9.524 2.011 0.100 83 HG3 ARG 19 2HG ARG 19 10.383 -0.606 0.665 84 HD3 ARG 19 2HD ARG 19 12.628 0.971 -0.547 85 HE ARG 19 HE ARG 19 12.601 -1.366 0.936 86 HH11 ARG 19 1HH1 ARG 19 13.787 -0.298 -2.158 87 HH12 ARG 19 2HH1 ARG 19 15.116 -1.409 -2.179 88 HH21 ARG 19 1HH2 ARG 19 14.348 -2.834 0.920 89 HH22 ARG 19 2HH2 ARG 19 15.434 -2.852 -0.428 90 H THR 20 H THR 20 6.200 0.445 -1.799 91 HA THR 20 HA THR 20 5.054 2.266 0.206 92 HB THR 20 HB THR 20 4.043 2.682 -2.517 93 HG1 THR 20 1HG THR 20 6.695 3.501 -1.856 94 HG21 THR 20 3HG2 THR 20 3.454 4.624 -1.594 95 HG22 THR 20 1HG2 THR 20 5.127 4.991 -1.173 96 HG23 THR 20 2HG2 THR 20 4.127 4.043 -0.071 97 H CYS 21 H CYS 21 2.537 2.541 -0.766 98 HA CYS 21 HA CYS 21 1.533 -0.223 -0.951 99 HB3 CYS 21 2HB CYS 21 -0.502 0.749 0.317 100 H PHE 22 H PHE 22 -0.982 -0.041 -1.513 101 HA PHE 22 HA PHE 22 -1.640 2.056 -3.362 102 HB3 PHE 22 2HB PHE 22 -1.708 -0.587 -4.698 103 HD1 PHE 22 1HD PHE 22 -3.490 0.840 -5.844 104 HD2 PHE 22 2HD PHE 22 0.667 1.753 -5.939 105 HE1 PHE 22 1HE PHE 22 -3.849 2.254 -7.825 106 HE2 PHE 22 2HE PHE 22 0.313 3.169 -7.920 107 HZ PHE 22 HZ PHE 22 -1.947 3.422 -8.866 108 H ARG 23 H ARG 23 -3.813 2.191 -3.733 109 HA ARG 23 HA ARG 23 -5.488 0.018 -2.663 110 HB3 ARG 23 2HB ARG 23 -5.383 1.939 -1.096 111 HG3 ARG 23 2HG ARG 23 -6.310 3.436 -3.493 112 HD3 ARG 23 2HD ARG 23 -8.176 3.817 -2.094 113 HE ARG 23 HE ARG 23 -6.370 3.553 0.114 114 HH11 ARG 23 1HH1 ARG 23 -9.416 4.888 -0.917 115 HH12 ARG 23 2HH1 ARG 23 -10.093 4.913 0.678 116 HH21 ARG 23 1HH2 ARG 23 -7.250 3.580 2.218 117 HH22 ARG 23 2HH2 ARG 23 -8.860 4.169 2.460 118 H ASP 24 H ASP 24 -7.959 0.982 -3.273 119 HA ASP 24 HA ASP 24 -7.963 0.745 -6.171 120 HB3 ASP 24 2HB ASP 24 -10.566 0.797 -5.603 121 H GLY 25 H GLY 25 -8.042 2.459 -7.454 122 HA2 GLY 25 2HA GLY 25 -8.973 4.452 -8.283 123 HA3 GLY 25 3HA GLY 25 -9.680 4.754 -6.704 124 H LEU 26 H LEU 26 -6.912 4.094 -5.557 125 HA LEU 26 HA LEU 26 -5.418 6.458 -6.392 126 HB3 LEU 26 2HB LEU 26 -5.108 7.015 -3.916 127 HG LEU 26 HG LEU 26 -7.249 7.829 -5.645 128 HD11 LEU 26 1HD1 LEU 26 -8.966 8.374 -4.170 129 HD12 LEU 26 2HD1 LEU 26 -7.970 8.072 -2.747 130 HD13 LEU 26 3HD1 LEU 26 -8.541 6.721 -3.726 131 HD21 LEU 26 3HD2 LEU 26 -6.214 9.350 -3.282 132 HD22 LEU 26 1HD2 LEU 26 -6.699 9.945 -4.870 133 HD23 LEU 26 2HD2 LEU 26 -5.187 9.057 -4.686 134 HA PRO 27 HA PRO 27 -1.894 3.943 -5.671 135 HB3 PRO 27 2HB PRO 27 -0.637 5.641 -6.573 136 HG3 PRO 27 2HG PRO 27 -1.156 7.869 -6.157 137 HD3 PRO 27 2HD PRO 27 -3.229 7.092 -6.799 Start of MODEL 18 1 H1 SER 1 H SER 1 -4.352 5.034 -1.670 2 HA SER 1 HA SER 1 -3.192 6.711 0.416 3 HB3 SER 1 2HB SER 1 -5.140 7.978 -0.463 4 HG SER 1 HG SER 1 -6.294 5.779 -0.784 5 H CYS 2 H CYS 2 -2.346 4.912 1.407 6 HA CYS 2 HA CYS 2 -4.191 3.362 2.988 7 HB3 CYS 2 2HB CYS 2 -2.435 1.426 1.820 8 H GLY 3 H GLY 3 -3.328 2.971 4.930 9 HA2 GLY 3 2HA GLY 3 -0.596 3.772 5.426 10 HA3 GLY 3 3HA GLY 3 -1.771 3.264 6.629 11 H GLY 4 H GLY 4 -0.519 1.819 7.734 12 HA2 GLY 4 2HA GLY 4 0.338 -0.266 8.196 13 HA3 GLY 4 3HA GLY 4 -0.269 -0.794 6.634 14 H SER 5 H SER 5 2.261 -1.433 7.950 15 HA SER 5 HA SER 5 4.214 -0.101 6.220 16 HB3 SER 5 2HB SER 5 5.393 -0.156 8.138 17 HG SER 5 HG SER 5 4.551 -2.171 9.595 18 H CYS 6 H CYS 6 5.690 -1.303 4.944 19 HA CYS 6 HA CYS 6 4.504 -3.557 3.645 20 HB3 CYS 6 2HB CYS 6 6.957 -3.513 2.571 21 H PHE 7 H PHE 7 6.760 -3.129 6.212 22 HA PHE 7 HA PHE 7 7.968 -5.728 5.994 23 HB3 PHE 7 2HB PHE 7 7.983 -3.962 8.438 24 HD1 PHE 7 2HD PHE 7 8.357 -5.885 9.866 25 HD2 PHE 7 1HD PHE 7 10.888 -5.082 6.539 26 HE1 PHE 7 2HE PHE 7 10.023 -7.463 10.756 27 HE2 PHE 7 1HE PHE 7 12.557 -6.659 7.423 28 HZ PHE 7 HZ PHE 7 12.126 -7.851 9.536 29 H GLY 8 H GLY 8 5.057 -4.501 7.262 30 HA2 GLY 8 2HA GLY 8 4.587 -7.072 8.631 31 HA3 GLY 8 3HA GLY 8 4.117 -5.554 9.383 32 H GLY 9 H GLY 9 3.803 -5.782 5.961 33 HA2 GLY 9 2HA GLY 9 1.947 -6.349 4.639 34 HA3 GLY 9 3HA GLY 9 1.022 -6.645 6.102 35 H CYS 10 H CYS 10 0.747 -4.907 3.548 36 HA CYS 10 HA CYS 10 0.620 -2.217 4.476 37 HB3 CYS 10 2HB CYS 10 -0.994 -2.155 2.331 38 H TRP 11 H TRP 11 -1.555 -0.996 4.193 39 HA TRP 11 HA TRP 11 -3.248 -1.679 6.265 40 HB3 TRP 11 2HB TRP 11 -4.782 -0.246 4.340 41 HD1 TRP 11 HD TRP 11 -2.446 0.105 7.391 42 HE1 TRP 11 1HE TRP 11 -3.512 1.778 9.029 43 HE3 TRP 11 3HE TRP 11 -6.422 1.604 4.548 44 HZ2 TRP 11 2HZ TRP 11 -5.743 3.505 9.108 45 HZ3 TRP 11 3HZ TRP 11 -7.976 3.270 5.480 46 HH2 TRP 11 HH TRP 11 -7.641 4.199 7.712 47 HA HYP 12 HA HYP 12 -6.140 -4.670 4.910 48 HB2 HYP 12 3HB HYP 12 -7.886 -4.505 6.368 49 HB3 HYP 12 2HB HYP 12 -8.417 -2.957 5.695 50 HG HYP 12 HG HYP 12 -7.619 -2.383 7.792 51 HD22 HYP 12 2HD2 HYP 12 -6.559 -1.013 6.163 52 HD23 HYP 12 3HD2 HYP 12 -5.183 -1.615 7.118 53 HD1 HYP 12 1HD HYP 12 -5.962 -4.609 7.355 54 H GLY 13 H GLY 13 -6.587 -5.146 2.886 55 HA2 GLY 13 2HA GLY 13 -7.942 -5.092 0.961 56 HA3 GLY 13 3HA GLY 13 -8.447 -3.464 1.389 57 H CYS 14 H CYS 14 -5.125 -3.772 1.688 58 HA CYS 14 HA CYS 14 -4.699 -2.740 -1.039 59 HB3 CYS 14 2HB CYS 14 -2.773 -1.425 0.090 60 H SER 15 H SER 15 -2.069 -2.627 -1.260 61 HA SER 15 HA SER 15 -0.906 -5.131 -0.315 62 HB3 SER 15 2HB SER 15 -1.026 -6.204 -2.277 63 HG SER 15 HG SER 15 -2.299 -3.889 -3.314 64 H CYS 16 H CYS 16 1.432 -5.281 -0.851 65 HA CYS 16 HA CYS 16 2.649 -2.631 -0.609 66 HB3 CYS 16 2HB CYS 16 3.777 -5.393 -0.106 67 H TYR 17 H TYR 17 3.254 -1.721 -2.457 68 HA TYR 17 HA TYR 17 4.755 -3.347 -4.387 69 HB3 TYR 17 2HB TYR 17 2.551 -1.393 -5.084 70 HD1 TYR 17 2HD TYR 17 4.017 -4.249 -6.933 71 HD2 TYR 17 1HD TYR 17 3.502 -0.029 -6.761 72 HE1 TYR 17 2HE TYR 17 4.933 -4.051 -9.207 73 HE2 TYR 17 1HE TYR 17 4.416 0.180 -9.035 74 HH TYR 17 HH TYR 17 5.882 -2.507 -10.682 75 H ALA 18 H ALA 18 6.620 -2.447 -4.970 76 HA ALA 18 HA ALA 18 8.293 -0.932 -5.276 77 HB1 ALA 18 1HB ALA 18 6.390 1.358 -5.114 78 HB2 ALA 18 2HB ALA 18 7.779 1.118 -6.175 79 HB3 ALA 18 3HB ALA 18 6.281 0.237 -6.473 80 H ARG 19 H ARG 19 7.855 -1.810 -2.696 81 HA ARG 19 HA ARG 19 8.345 -1.369 -0.518 82 HB3 ARG 19 2HB ARG 19 9.796 0.854 -0.297 83 HG3 ARG 19 2HG ARG 19 10.586 -1.786 -1.438 84 HD3 ARG 19 2HD ARG 19 12.979 -0.944 -1.058 85 HE ARG 19 HE ARG 19 11.464 -0.877 -3.395 86 HH11 ARG 19 1HH1 ARG 19 14.327 0.608 -2.086 87 HH12 ARG 19 2HH1 ARG 19 15.079 0.825 -3.632 88 HH21 ARG 19 1HH2 ARG 19 12.443 -0.598 -5.435 89 HH22 ARG 19 2HH2 ARG 19 14.006 0.140 -5.536 90 H THR 20 H THR 20 5.951 -0.093 -1.865 91 HA THR 20 HA THR 20 5.204 1.568 0.398 92 HB THR 20 HB THR 20 4.617 2.720 -2.301 93 HG1 THR 20 1HG THR 20 6.635 3.266 -2.574 94 HG21 THR 20 3HG2 THR 20 5.081 4.783 -0.618 95 HG22 THR 20 1HG2 THR 20 4.528 3.561 0.526 96 HG23 THR 20 2HG2 THR 20 3.502 4.029 -0.830 97 H CYS 21 H CYS 21 2.859 2.135 0.332 98 HA CYS 21 HA CYS 21 1.358 -0.161 -0.642 99 HB3 CYS 21 2HB CYS 21 -0.489 0.798 0.742 100 H PHE 22 H PHE 22 -0.245 -0.089 -2.145 101 HA PHE 22 HA PHE 22 -1.269 2.413 -3.143 102 HB3 PHE 22 2HB PHE 22 0.004 0.705 -5.240 103 HD1 PHE 22 1HD PHE 22 -2.106 1.753 -6.327 104 HD2 PHE 22 2HD PHE 22 1.259 3.992 -4.989 105 HE1 PHE 22 1HE PHE 22 -2.757 3.610 -7.804 106 HE2 PHE 22 2HE PHE 22 0.613 5.852 -6.463 107 HZ PHE 22 HZ PHE 22 -1.398 5.663 -7.873 108 H ARG 23 H ARG 23 -3.186 2.184 -4.262 109 HA ARG 23 HA ARG 23 -4.108 -0.506 -4.923 110 HB3 ARG 23 2HB ARG 23 -4.793 -0.003 -2.562 111 HG3 ARG 23 2HG ARG 23 -6.474 2.109 -3.893 112 HD3 ARG 23 2HD ARG 23 -6.924 2.242 -1.187 113 HE ARG 23 HE ARG 23 -8.872 0.719 -2.667 114 HH11 ARG 23 1HH1 ARG 23 -7.510 3.869 -2.083 115 HH12 ARG 23 2HH1 ARG 23 -8.918 4.722 -2.623 116 HH21 ARG 23 1HH2 ARG 23 -10.732 1.830 -3.381 117 HH22 ARG 23 2HH2 ARG 23 -10.750 3.562 -3.360 118 H ASP 24 H ASP 24 -6.138 -0.478 -6.177 119 HA ASP 24 HA ASP 24 -6.024 1.198 -8.365 120 HB3 ASP 24 2HB ASP 24 -8.630 0.531 -8.433 121 H GLY 25 H GLY 25 -6.884 3.138 -8.931 122 HA2 GLY 25 2HA GLY 25 -8.332 4.988 -8.745 123 HA3 GLY 25 3HA GLY 25 -8.796 4.436 -7.143 124 H LEU 26 H LEU 26 -6.537 4.265 -5.749 125 HA LEU 26 HA LEU 26 -4.792 6.502 -6.156 126 HB3 LEU 26 2HB LEU 26 -6.264 7.957 -5.238 127 HG LEU 26 HG LEU 26 -7.583 5.622 -4.002 128 HD11 LEU 26 1HD1 LEU 26 -8.282 8.205 -2.756 129 HD12 LEU 26 2HD1 LEU 26 -6.786 7.448 -2.209 130 HD13 LEU 26 3HD1 LEU 26 -8.311 6.573 -2.089 131 HD21 LEU 26 3HD2 LEU 26 -9.202 7.939 -4.543 132 HD22 LEU 26 1HD2 LEU 26 -9.249 6.340 -5.283 133 HD23 LEU 26 2HD2 LEU 26 -8.160 7.573 -5.919 134 HA PRO 27 HA PRO 27 -2.111 4.159 -3.592 135 HB3 PRO 27 2HB PRO 27 -0.488 5.730 -4.008 136 HG3 PRO 27 2HG PRO 27 -1.009 7.993 -4.120 137 HD3 PRO 27 2HD PRO 27 -2.614 7.146 -5.540 Start of MODEL 19 1 H1 SER 1 H SER 1 -3.314 4.437 -2.901 2 HA SER 1 HA SER 1 -1.398 5.557 -0.961 3 HB3 SER 1 2HB SER 1 -2.701 7.315 -2.131 4 HG SER 1 HG SER 1 -5.041 7.124 -1.028 5 H CYS 2 H CYS 2 -1.307 3.782 0.375 6 HA CYS 2 HA CYS 2 -3.718 3.297 1.961 7 HB3 CYS 2 2HB CYS 2 -2.215 0.838 1.552 8 H GLY 3 H GLY 3 -3.334 3.066 4.101 9 HA2 GLY 3 2HA GLY 3 -0.780 3.759 5.123 10 HA3 GLY 3 3HA GLY 3 -2.163 3.229 6.071 11 H GLY 4 H GLY 4 -1.162 1.821 7.436 12 HA2 GLY 4 2HA GLY 4 -0.237 -0.160 8.132 13 HA3 GLY 4 3HA GLY 4 -0.682 -0.804 6.558 14 H SER 5 H SER 5 1.601 -1.663 7.815 15 HA SER 5 HA SER 5 3.799 -0.242 6.490 16 HB3 SER 5 2HB SER 5 4.753 -0.582 8.502 17 HG SER 5 HG SER 5 3.083 -2.795 9.063 18 H CYS 6 H CYS 6 5.347 -1.390 5.243 19 HA CYS 6 HA CYS 6 4.171 -3.513 3.673 20 HB3 CYS 6 2HB CYS 6 6.610 -3.273 2.600 21 H PHE 7 H PHE 7 6.409 -3.208 6.269 22 HA PHE 7 HA PHE 7 7.777 -5.687 5.834 23 HB3 PHE 7 2HB PHE 7 7.578 -4.208 8.455 24 HD1 PHE 7 2HD PHE 7 10.581 -5.000 6.514 25 HD2 PHE 7 1HD PHE 7 8.073 -6.168 9.748 26 HE1 PHE 7 2HE PHE 7 12.322 -6.552 7.300 27 HE2 PHE 7 1HE PHE 7 9.810 -7.721 10.539 28 HZ PHE 7 HZ PHE 7 11.937 -7.915 9.314 29 H GLY 8 H GLY 8 4.744 -4.816 7.115 30 HA2 GLY 8 2HA GLY 8 4.421 -7.553 8.170 31 HA3 GLY 8 3HA GLY 8 3.812 -6.166 9.062 32 H GLY 9 H GLY 9 3.654 -6.137 5.602 33 HA2 GLY 9 2HA GLY 9 1.881 -6.701 4.169 34 HA3 GLY 9 3HA GLY 9 0.913 -7.131 5.572 35 H CYS 10 H CYS 10 0.836 -5.156 3.100 36 HA CYS 10 HA CYS 10 0.506 -2.572 4.171 37 HB3 CYS 10 2HB CYS 10 -1.062 -2.444 2.000 38 H TRP 11 H TRP 11 -1.723 -1.420 3.858 39 HA TRP 11 HA TRP 11 -3.422 -2.210 5.878 40 HB3 TRP 11 2HB TRP 11 -4.992 -0.847 3.927 41 HD1 TRP 11 HD TRP 11 -2.726 -0.363 7.017 42 HE1 TRP 11 1HE TRP 11 -3.929 1.222 8.650 43 HE3 TRP 11 3HE TRP 11 -6.767 0.860 4.135 44 HZ2 TRP 11 2HZ TRP 11 -6.280 2.783 8.709 45 HZ3 TRP 11 3HZ TRP 11 -8.447 2.406 5.054 46 HH2 TRP 11 HH TRP 11 -8.206 3.346 7.295 47 HA HYP 12 HA HYP 12 -6.124 -5.344 4.450 48 HB2 HYP 12 3HB HYP 12 -7.896 -5.290 5.885 49 HB3 HYP 12 2HB HYP 12 -8.502 -3.765 5.220 50 HG HYP 12 HG HYP 12 -7.827 -3.260 7.342 51 HD22 HYP 12 2HD2 HYP 12 -6.861 -1.757 5.774 52 HD23 HYP 12 3HD2 HYP 12 -5.456 -2.260 6.745 53 HD1 HYP 12 1HD HYP 12 -5.968 -5.317 6.888 54 H GLY 13 H GLY 13 -6.448 -5.786 2.394 55 HA2 GLY 13 2HA GLY 13 -7.763 -5.801 0.440 56 HA3 GLY 13 3HA GLY 13 -8.422 -4.237 0.897 57 H CYS 14 H CYS 14 -5.101 -4.223 1.278 58 HA CYS 14 HA CYS 14 -4.729 -3.039 -1.396 59 HB3 CYS 14 2HB CYS 14 -2.929 -1.643 -0.243 60 H SER 15 H SER 15 -2.103 -2.752 -1.590 61 HA SER 15 HA SER 15 -0.794 -5.243 -0.822 62 HB3 SER 15 2HB SER 15 -0.879 -6.190 -2.849 63 HG SER 15 HG SER 15 -2.193 -5.152 -4.474 64 H CYS 16 H CYS 16 1.540 -5.215 -1.288 65 HA CYS 16 HA CYS 16 2.587 -2.480 -1.056 66 HB3 CYS 16 2HB CYS 16 3.895 -5.104 -0.309 67 H TYR 17 H TYR 17 3.380 -1.656 -2.868 68 HA TYR 17 HA TYR 17 5.146 -3.292 -4.522 69 HB3 TYR 17 2HB TYR 17 2.805 -1.729 -5.634 70 HD1 TYR 17 1HD TYR 17 5.532 -4.121 -6.555 71 HD2 TYR 17 2HD TYR 17 2.963 -0.966 -7.802 72 HE1 TYR 17 1HE TYR 17 6.631 -4.104 -8.755 73 HE2 TYR 17 2HE TYR 17 4.055 -0.941 -10.005 74 HH TYR 17 HH TYR 17 5.497 -1.989 -11.358 75 H ALA 18 H ALA 18 6.855 -2.194 -5.315 76 HA ALA 18 HA ALA 18 8.315 -0.495 -5.729 77 HB1 ALA 18 1HB ALA 18 6.030 0.403 -6.786 78 HB2 ALA 18 2HB ALA 18 6.273 1.635 -5.547 79 HB3 ALA 18 3HB ALA 18 7.516 1.353 -6.765 80 H ARG 19 H ARG 19 8.124 -1.344 -3.130 81 HA ARG 19 HA ARG 19 8.595 -0.786 -0.974 82 HB3 ARG 19 2HB ARG 19 9.590 1.906 -1.635 83 HG3 ARG 19 2HG ARG 19 10.609 -0.512 -0.223 84 HD3 ARG 19 2HD ARG 19 12.226 1.172 -1.865 85 HE ARG 19 HE ARG 19 12.407 1.863 0.921 86 HH11 ARG 19 1HH1 ARG 19 14.138 1.572 -2.084 87 HH12 ARG 19 2HH1 ARG 19 15.368 2.706 -1.638 88 HH21 ARG 19 1HH2 ARG 19 14.021 3.359 1.523 89 HH22 ARG 19 2HH2 ARG 19 15.302 3.722 0.415 90 H THR 20 H THR 20 6.025 0.145 -2.235 91 HA THR 20 HA THR 20 5.191 1.821 -0.015 92 HB THR 20 HB THR 20 4.352 2.758 -2.732 93 HG1 THR 20 1HG THR 20 6.435 3.130 -3.070 94 HG21 THR 20 3HG2 THR 20 4.301 3.734 0.056 95 HG22 THR 20 1HG2 THR 20 3.148 3.984 -1.254 96 HG23 THR 20 2HG2 THR 20 4.623 4.946 -1.183 97 H CYS 21 H CYS 21 2.795 2.104 0.017 98 HA CYS 21 HA CYS 21 1.536 -0.408 -0.696 99 HB3 CYS 21 2HB CYS 21 -0.450 0.745 0.522 100 H PHE 22 H PHE 22 -0.902 -0.128 -1.369 101 HA PHE 22 HA PHE 22 -1.434 2.035 -3.184 102 HB3 PHE 22 2HB PHE 22 -1.503 -0.586 -4.577 103 HD1 PHE 22 1HD PHE 22 -3.269 0.923 -5.692 104 HD2 PHE 22 2HD PHE 22 0.912 1.711 -5.770 105 HE1 PHE 22 1HE PHE 22 -3.583 2.371 -7.656 106 HE2 PHE 22 2HE PHE 22 0.606 3.160 -7.735 107 HZ PHE 22 HZ PHE 22 -1.644 3.492 -8.680 108 H ARG 23 H ARG 23 -3.590 2.218 -3.673 109 HA ARG 23 HA ARG 23 -5.363 0.055 -2.767 110 HB3 ARG 23 2HB ARG 23 -5.222 1.853 -1.049 111 HG3 ARG 23 2HG ARG 23 -6.124 3.541 -3.331 112 HD3 ARG 23 2HD ARG 23 -7.960 3.861 -1.877 113 HE ARG 23 HE ARG 23 -6.119 3.417 0.279 114 HH11 ARG 23 1HH1 ARG 23 -9.175 4.820 -0.617 115 HH12 ARG 23 2HH1 ARG 23 -9.835 4.727 0.982 116 HH21 ARG 23 1HH2 ARG 23 -6.974 3.289 2.389 117 HH22 ARG 23 2HH2 ARG 23 -8.581 3.858 2.691 118 H ASP 24 H ASP 24 -7.783 1.154 -3.353 119 HA ASP 24 HA ASP 24 -7.719 1.151 -6.259 120 HB3 ASP 24 2HB ASP 24 -10.346 1.309 -5.692 121 H GLY 25 H GLY 25 -7.818 2.930 -7.458 122 HA2 GLY 25 2HA GLY 25 -8.671 5.018 -8.120 123 HA3 GLY 25 3HA GLY 25 -9.289 5.258 -6.492 124 H LEU 26 H LEU 26 -6.530 4.389 -5.499 125 HA LEU 26 HA LEU 26 -4.852 6.605 -6.324 126 HB3 LEU 26 2HB LEU 26 -4.585 7.464 -4.038 127 HG LEU 26 HG LEU 26 -7.449 7.532 -4.980 128 HD11 LEU 26 1HD1 LEU 26 -6.134 9.306 -2.932 129 HD12 LEU 26 2HD1 LEU 26 -7.216 7.970 -2.541 130 HD13 LEU 26 3HD1 LEU 26 -7.816 9.347 -3.466 131 HD21 LEU 26 3HD2 LEU 26 -5.524 9.807 -5.098 132 HD22 LEU 26 1HD2 LEU 26 -6.917 9.453 -6.121 133 HD23 LEU 26 2HD2 LEU 26 -5.426 8.530 -6.313 134 HA PRO 27 HA PRO 27 -1.631 3.770 -5.390 135 HB3 PRO 27 2HB PRO 27 -0.204 5.238 -6.433 136 HG3 PRO 27 2HG PRO 27 -0.484 7.537 -6.221 137 HD3 PRO 27 2HD PRO 27 -2.629 6.929 -6.804 Start of MODEL 20 1 H1 SER 1 H SER 1 -3.332 4.452 -2.509 2 HA SER 1 HA SER 1 -1.637 5.883 -0.677 3 HB3 SER 1 2HB SER 1 -3.233 7.615 -1.706 4 HG SER 1 HG SER 1 -5.165 6.941 0.105 5 H CYS 2 H CYS 2 -1.439 4.427 0.883 6 HA CYS 2 HA CYS 2 -3.745 3.488 2.314 7 HB3 CYS 2 2HB CYS 2 -2.122 1.176 1.507 8 H GLY 3 H GLY 3 -3.248 3.196 4.405 9 HA2 GLY 3 2HA GLY 3 -0.640 3.798 5.345 10 HA3 GLY 3 3HA GLY 3 -1.983 3.228 6.325 11 H GLY 4 H GLY 4 -0.920 1.740 7.557 12 HA2 GLY 4 2HA GLY 4 -0.022 -0.306 8.086 13 HA3 GLY 4 3HA GLY 4 -0.503 -0.832 6.480 14 H SER 5 H SER 5 1.863 -1.632 7.829 15 HA SER 5 HA SER 5 3.992 -0.210 6.402 16 HB3 SER 5 2HB SER 5 5.004 -0.475 8.396 17 HG SER 5 HG SER 5 3.625 -2.744 9.234 18 H CYS 6 H CYS 6 5.496 -1.312 5.098 19 HA CYS 6 HA CYS 6 4.357 -3.487 3.600 20 HB3 CYS 6 2HB CYS 6 6.802 -3.267 2.533 21 H PHE 7 H PHE 7 6.603 -3.147 6.190 22 HA PHE 7 HA PHE 7 7.958 -5.639 5.796 23 HB3 PHE 7 2HB PHE 7 7.763 -4.117 8.393 24 HD1 PHE 7 1HD PHE 7 10.592 -5.242 6.280 25 HD2 PHE 7 2HD PHE 7 8.422 -5.769 9.904 26 HE1 PHE 7 1HE PHE 7 12.326 -6.789 7.090 27 HE2 PHE 7 2HE PHE 7 10.153 -7.316 10.720 28 HZ PHE 7 HZ PHE 7 12.108 -7.826 9.313 29 H GLY 8 H GLY 8 4.927 -4.736 7.064 30 HA2 GLY 8 2HA GLY 8 4.590 -7.458 8.149 31 HA3 GLY 8 3HA GLY 8 4.000 -6.060 9.035 32 H GLY 9 H GLY 9 3.807 -5.995 5.589 33 HA2 GLY 9 2HA GLY 9 2.025 -6.544 4.160 34 HA3 GLY 9 3HA GLY 9 1.072 -7.005 5.564 35 H CYS 10 H CYS 10 0.878 -5.031 3.135 36 HA CYS 10 HA CYS 10 0.584 -2.446 4.226 37 HB3 CYS 10 2HB CYS 10 -1.062 -2.323 2.111 38 H TRP 11 H TRP 11 -1.642 -1.296 4.034 39 HA TRP 11 HA TRP 11 -3.272 -2.127 6.094 40 HB3 TRP 11 2HB TRP 11 -4.911 -0.720 4.238 41 HD1 TRP 11 HD TRP 11 -2.533 -0.332 7.251 42 HE1 TRP 11 1HE TRP 11 -3.648 1.239 8.958 43 HE3 TRP 11 3HE TRP 11 -6.640 1.034 4.532 44 HZ2 TRP 11 2HZ TRP 11 -5.965 2.844 9.128 45 HZ3 TRP 11 3HZ TRP 11 -8.258 2.590 5.539 46 HH2 TRP 11 HH TRP 11 -7.926 3.475 7.790 47 HA HYP 12 HA HYP 12 -6.051 -5.207 4.699 48 HB2 HYP 12 3HB HYP 12 -7.793 -5.148 6.169 49 HB3 HYP 12 2HB HYP 12 -8.396 -3.613 5.530 50 HG HYP 12 HG HYP 12 -7.665 -3.119 7.640 51 HD22 HYP 12 2HD2 HYP 12 -6.710 -1.621 6.061 52 HD23 HYP 12 3HD2 HYP 12 -5.292 -2.151 6.998 53 HD1 HYP 12 1HD HYP 12 -5.848 -5.200 7.135 54 H GLY 13 H GLY 13 -6.431 -5.635 2.649 55 HA2 GLY 13 2HA GLY 13 -7.790 -5.618 0.725 56 HA3 GLY 13 3HA GLY 13 -8.410 -4.045 1.204 57 H CYS 14 H CYS 14 -5.094 -4.053 1.528 58 HA CYS 14 HA CYS 14 -4.759 -2.861 -1.148 59 HB3 CYS 14 2HB CYS 14 -2.885 -1.537 -0.016 60 H SER 15 H SER 15 -2.134 -2.637 -1.414 61 HA SER 15 HA SER 15 -0.864 -5.170 -0.722 62 HB3 SER 15 2HB SER 15 -0.795 -6.050 -2.801 63 HG SER 15 HG SER 15 -2.554 -4.149 -3.823 64 H CYS 16 H CYS 16 1.439 -5.179 -1.103 65 HA CYS 16 HA CYS 16 2.561 -2.472 -0.958 66 HB3 CYS 16 2HB CYS 16 3.740 -5.135 -0.139 67 H TYR 17 H TYR 17 3.180 -1.739 -2.888 68 HA TYR 17 HA TYR 17 4.927 -3.449 -4.512 69 HB3 TYR 17 2HB TYR 17 2.637 -1.778 -5.570 70 HD1 TYR 17 2HD TYR 17 4.228 -4.727 -7.084 71 HD2 TYR 17 1HD TYR 17 3.815 -0.495 -7.229 72 HE1 TYR 17 2HE TYR 17 5.283 -4.707 -9.305 73 HE2 TYR 17 1HE TYR 17 4.870 -0.462 -9.452 74 HH TYR 17 HH TYR 17 5.306 -3.222 -11.318 75 H ALA 18 H ALA 18 6.728 -2.464 -5.190 76 HA ALA 18 HA ALA 18 8.275 -0.851 -5.640 77 HB1 ALA 18 1HB ALA 18 6.154 1.259 -5.577 78 HB2 ALA 18 2HB ALA 18 7.608 1.164 -6.573 79 HB3 ALA 18 3HB ALA 18 6.237 0.106 -6.910 80 H ARG 19 H ARG 19 7.924 -1.623 -3.009 81 HA ARG 19 HA ARG 19 8.420 -1.038 -0.868 82 HB3 ARG 19 2HB ARG 19 9.527 1.548 -1.930 83 HG3 ARG 19 2HG ARG 19 11.285 0.091 -0.226 84 HD3 ARG 19 2HD ARG 19 10.885 2.140 1.225 85 HE ARG 19 HE ARG 19 11.600 3.177 -1.366 86 HH11 ARG 19 1HH1 ARG 19 12.623 1.256 1.352 87 HH12 ARG 19 2HH1 ARG 19 14.313 1.477 1.038 88 HH21 ARG 19 1HH2 ARG 19 13.822 3.476 -1.788 89 HH22 ARG 19 2HH2 ARG 19 14.993 2.741 -0.748 90 H THR 20 H THR 20 5.923 0.006 -2.257 91 HA THR 20 HA THR 20 5.064 1.686 -0.048 92 HB THR 20 HB THR 20 4.350 2.715 -2.759 93 HG1 THR 20 1HG THR 20 6.250 3.722 -3.011 94 HG21 THR 20 3HG2 THR 20 4.808 4.846 -1.141 95 HG22 THR 20 1HG2 THR 20 4.321 3.630 0.040 96 HG23 THR 20 2HG2 THR 20 3.248 4.038 -1.300 97 H CYS 21 H CYS 21 2.707 2.013 -0.034 98 HA CYS 21 HA CYS 21 1.365 -0.406 -0.858 99 HB3 CYS 21 2HB CYS 21 -0.611 0.704 0.305 100 H PHE 22 H PHE 22 -0.901 -0.191 -1.792 101 HA PHE 22 HA PHE 22 -1.389 2.057 -3.519 102 HB3 PHE 22 2HB PHE 22 -1.140 -0.522 -5.001 103 HD1 PHE 22 2HD PHE 22 -3.044 0.825 -6.142 104 HD2 PHE 22 1HD PHE 22 1.034 2.044 -6.063 105 HE1 PHE 22 2HE PHE 22 -3.441 2.268 -8.094 106 HE2 PHE 22 1HE PHE 22 0.643 3.490 -8.015 107 HZ PHE 22 HZ PHE 22 -1.596 3.602 -9.034 108 H ARG 23 H ARG 23 -3.497 2.153 -4.231 109 HA ARG 23 HA ARG 23 -5.235 -0.150 -3.770 110 HB3 ARG 23 2HB ARG 23 -5.210 1.269 -1.694 111 HG3 ARG 23 2HG ARG 23 -6.501 3.275 -3.524 112 HD3 ARG 23 2HD ARG 23 -6.491 4.481 -1.134 113 HE ARG 23 HE ARG 23 -8.498 3.607 -2.739 114 HH11 ARG 23 1HH1 ARG 23 -8.008 3.674 0.707 115 HH12 ARG 23 2HH1 ARG 23 -9.694 3.828 1.075 116 HH21 ARG 23 1HH2 ARG 23 -10.720 3.808 -2.267 117 HH22 ARG 23 2HH2 ARG 23 -11.236 3.903 -0.618 118 H ASP 24 H ASP 24 -7.665 0.974 -4.229 119 HA ASP 24 HA ASP 24 -7.531 1.500 -7.058 120 HB3 ASP 24 2HB ASP 24 -10.151 1.786 -6.503 121 H GLY 25 H GLY 25 -7.730 3.405 -8.076 122 HA2 GLY 25 2HA GLY 25 -8.458 5.621 -8.375 123 HA3 GLY 25 3HA GLY 25 -8.848 5.702 -6.665 124 H LEU 26 H LEU 26 -6.309 4.746 -5.723 125 HA LEU 26 HA LEU 26 -4.259 6.471 -6.755 126 HB3 LEU 26 2HB LEU 26 -4.982 8.254 -5.585 127 HG LEU 26 HG LEU 26 -7.084 7.361 -4.745 128 HD11 LEU 26 1HD1 LEU 26 -6.644 6.404 -2.239 129 HD12 LEU 26 2HD1 LEU 26 -5.275 5.727 -3.119 130 HD13 LEU 26 3HD1 LEU 26 -6.921 5.405 -3.665 131 HD21 LEU 26 3HD2 LEU 26 -6.592 9.473 -3.863 132 HD22 LEU 26 1HD2 LEU 26 -5.326 8.840 -2.811 133 HD23 LEU 26 2HD2 LEU 26 -7.021 8.500 -2.456 134 HA PRO 27 HA PRO 27 -1.602 3.560 -4.826 135 HB3 PRO 27 2HB PRO 27 0.169 4.692 -5.755 136 HG3 PRO 27 2HG PRO 27 0.176 7.015 -5.876 137 HD3 PRO 27 2HD PRO 27 -1.903 6.577 -6.769
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