NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
2849 | 1cnn | 4500 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H CYS 1 1H CYS 1 -8.255 7.707 1.198 2 2H CYS 1 2H CYS 1 -9.100 6.457 0.418 3 3H CYS 1 3H CYS 1 -8.741 6.336 2.075 4 HA CYS 1 HA CYS 1 -7.242 4.940 0.875 5 1HB CYS 1 1HB CYS 1 -5.739 5.882 -0.799 6 2HB CYS 1 2HB CYS 1 -7.389 6.130 -1.286 7 H LYS 2 H LYS 2 -5.113 4.723 1.492 8 HA LYS 2 HA LYS 2 -4.244 6.491 3.711 9 1HB LYS 2 1HB LYS 2 -3.639 3.618 2.940 10 2HB LYS 2 2HB LYS 2 -2.753 4.433 4.200 11 1HG LYS 2 1HG LYS 2 -4.591 3.043 5.107 12 2HG LYS 2 2HG LYS 2 -4.754 4.728 5.537 13 1HD LYS 2 1HD LYS 2 -6.523 5.060 3.921 14 2HD LYS 2 2HD LYS 2 -6.307 3.474 3.215 15 1HE LYS 2 1HE LYS 2 -8.238 3.538 4.777 16 2HE LYS 2 2HE LYS 2 -6.992 2.502 5.459 17 1HZ LYS 2 1HZ LYS 2 -7.201 5.375 6.123 18 2HZ LYS 2 2HZ LYS 2 -8.032 4.173 6.989 19 3HZ LYS 2 3HZ LYS 2 -6.334 4.165 6.941 20 H GLY 3 H GLY 3 -2.648 7.852 3.420 21 1HA GLY 3 1HA GLY 3 -1.187 8.230 1.022 22 2HA GLY 3 2HA GLY 3 -0.760 8.928 2.577 23 H LYS 4 H LYS 4 1.289 8.346 0.995 24 HA LYS 4 HA LYS 4 2.403 5.799 0.917 25 1HB LYS 4 1HB LYS 4 3.773 8.493 1.212 26 2HB LYS 4 2HB LYS 4 4.571 7.013 0.716 27 1HG LYS 4 1HG LYS 4 3.039 6.817 -1.227 28 2HG LYS 4 2HG LYS 4 2.222 8.297 -0.755 29 1HD LYS 4 1HD LYS 4 4.366 9.552 -1.014 30 2HD LYS 4 2HD LYS 4 5.166 8.073 -1.517 31 1HE LYS 4 1HE LYS 4 2.812 9.383 -2.955 32 2HE LYS 4 2HE LYS 4 4.484 9.414 -3.491 33 1HZ LYS 4 1HZ LYS 4 4.156 6.815 -3.237 34 2HZ LYS 4 2HZ LYS 4 2.550 7.251 -3.571 35 3HZ LYS 4 3HZ LYS 4 3.784 7.655 -4.665 36 H GLY 5 H GLY 5 3.390 4.488 2.245 37 1HA GLY 5 1HA GLY 5 4.414 3.576 4.114 38 2HA GLY 5 2HA GLY 5 4.756 5.197 4.683 39 H ALA 6 H ALA 6 1.469 4.892 4.110 40 HA ALA 6 HA ALA 6 0.899 4.797 6.996 41 1HB ALA 6 1HB ALA 6 -0.208 6.479 5.572 42 2HB ALA 6 2HB ALA 6 -0.924 5.200 4.606 43 3HB ALA 6 3HB ALA 6 -1.416 5.417 6.272 44 HA PRO 7 HA PRO 7 -0.121 0.600 7.295 45 1HB PRO 7 1HB PRO 7 -2.305 0.630 9.067 46 2HB PRO 7 2HB PRO 7 -0.606 0.704 9.498 47 1HG PRO 7 1HG PRO 7 -2.614 2.874 9.449 48 2HG PRO 7 2HG PRO 7 -1.121 2.764 10.369 49 1HD PRO 7 1HD PRO 7 -1.528 4.337 8.061 50 2HD PRO 7 2HD PRO 7 0.047 3.942 8.771 51 H CYS 8 H CYS 8 -0.732 0.336 5.152 52 HA CYS 8 HA CYS 8 -3.633 0.082 4.534 53 1HB CYS 8 1HB CYS 8 -2.828 0.048 2.170 54 2HB CYS 8 2HB CYS 8 -2.440 1.509 2.975 55 H ARG 9 H ARG 9 -3.600 -1.507 2.496 56 HA ARG 9 HA ARG 9 -2.284 -4.057 3.009 57 1HB ARG 9 1HB ARG 9 -4.495 -5.285 3.003 58 2HB ARG 9 2HB ARG 9 -4.191 -4.373 4.447 59 1HG ARG 9 1HG ARG 9 -6.053 -3.467 2.201 60 2HG ARG 9 2HG ARG 9 -6.571 -4.274 3.659 61 1HD ARG 9 1HD ARG 9 -5.257 -1.514 3.552 62 2HD ARG 9 2HD ARG 9 -6.923 -1.885 3.932 63 HE ARG 9 HE ARG 9 -5.245 -3.338 5.716 64 1HH1 ARG 9 1HH1 ARG 9 -6.251 -0.113 4.963 65 2HH1 ARG 9 2HH1 ARG 9 -6.016 0.463 6.577 66 1HH2 ARG 9 1HH2 ARG 9 -4.951 -2.639 7.774 67 2HH2 ARG 9 2HH2 ARG 9 -5.277 -0.992 8.196 68 H LYS 10 H LYS 10 -1.475 -4.426 1.201 69 HA LYS 10 HA LYS 10 -2.279 -3.442 -1.355 70 1HB LYS 10 1HB LYS 10 -0.494 -5.072 -2.166 71 2HB LYS 10 2HB LYS 10 0.023 -3.965 -0.923 72 1HG LYS 10 1HG LYS 10 0.955 -6.165 -0.487 73 2HG LYS 10 2HG LYS 10 -0.147 -5.719 0.795 74 1HD LYS 10 1HD LYS 10 -1.875 -7.166 -0.131 75 2HD LYS 10 2HD LYS 10 -0.858 -7.556 -1.512 76 1HE LYS 10 1HE LYS 10 -0.819 -9.346 0.221 77 2HE LYS 10 2HE LYS 10 0.768 -8.601 0.132 78 1HZ LYS 10 1HZ LYS 10 -1.298 -7.714 2.048 79 2HZ LYS 10 2HZ LYS 10 -0.183 -8.944 2.405 80 3HZ LYS 10 3HZ LYS 10 0.365 -7.372 2.068 81 H THR 11 H THR 11 -3.567 -5.809 0.485 82 HA THR 11 HA THR 11 -4.365 -7.903 -1.167 83 HB THR 11 HB THR 11 -5.913 -6.481 1.080 84 HG1 THR 11 HG1 THR 11 -3.965 -8.538 0.905 85 1HG2 THR 11 1HG2 THR 11 -5.985 -9.426 0.134 86 2HG2 THR 11 2HG2 THR 11 -6.941 -8.745 1.442 87 3HG2 THR 11 3HG2 THR 11 -7.273 -8.286 -0.219 88 H MET 12 H MET 12 -5.460 -4.670 -0.900 89 HA MET 12 HA MET 12 -7.065 -4.881 -3.379 90 1HB MET 12 1HB MET 12 -8.932 -3.604 -2.283 91 2HB MET 12 2HB MET 12 -8.683 -5.161 -1.517 92 1HG MET 12 1HG MET 12 -7.338 -4.102 0.256 93 2HG MET 12 2HG MET 12 -7.504 -2.545 -0.500 94 1HE MET 12 1HE MET 12 -9.877 -1.455 -0.933 95 2HE MET 12 2HE MET 12 -10.739 -1.157 0.561 96 3HE MET 12 3HE MET 12 -9.017 -0.806 0.484 97 H TYR 13 H TYR 13 -4.523 -3.628 -2.059 98 HA TYR 13 HA TYR 13 -3.295 -1.641 -2.180 99 1HB TYR 13 1HB TYR 13 -5.008 -1.368 -4.713 100 2HB TYR 13 2HB TYR 13 -3.483 -0.532 -4.431 101 HD1 TYR 13 HD1 TYR 13 -1.482 -2.184 -3.672 102 HD2 TYR 13 HD2 TYR 13 -4.910 -3.402 -5.890 103 HE1 TYR 13 HE1 TYR 13 -0.266 -4.146 -4.473 104 HE2 TYR 13 HE2 TYR 13 -3.688 -5.365 -6.688 105 HH TYR 13 HH TYR 13 -1.811 -6.744 -6.060 106 H ASP 14 H ASP 14 -4.471 -1.137 -0.330 107 HA ASP 14 HA ASP 14 -6.732 0.683 -0.317 108 1HB ASP 14 1HB ASP 14 -6.518 -1.004 1.357 109 2HB ASP 14 2HB ASP 14 -4.899 -0.538 1.744 110 H CYS 15 H CYS 15 -3.764 1.382 -1.216 111 HA CYS 15 HA CYS 15 -3.499 3.898 0.348 112 1HB CYS 15 1HB CYS 15 -1.607 2.650 -1.603 113 2HB CYS 15 2HB CYS 15 -1.272 4.032 -0.589 114 H CYS 16 H CYS 16 -2.938 5.859 -0.533 115 HA CYS 16 HA CYS 16 -4.532 6.692 -2.793 116 1HB CYS 16 1HB CYS 16 -2.345 8.165 -1.274 117 2HB CYS 16 2HB CYS 16 -3.554 8.889 -2.291 118 H SER 17 H SER 17 -1.284 5.840 -2.045 119 HA SER 17 HA SER 17 0.119 6.765 -4.343 120 1HB SER 17 1HB SER 17 1.261 5.953 -2.255 121 2HB SER 17 2HB SER 17 0.688 4.311 -2.582 122 HG SER 17 HG SER 17 2.167 5.875 -4.424 123 H GLY 18 H GLY 18 -2.052 4.176 -3.781 124 1HA GLY 18 1HA GLY 18 -3.211 2.910 -5.399 125 2HA GLY 18 2HA GLY 18 -2.053 3.447 -6.611 126 H SER 19 H SER 19 -0.141 2.443 -4.232 127 HA SER 19 HA SER 19 -0.291 -0.450 -4.855 128 1HB SER 19 1HB SER 19 2.159 -0.440 -5.543 129 2HB SER 19 2HB SER 19 1.152 0.505 -6.648 130 HG SER 19 HG SER 19 2.919 1.358 -4.655 131 H CYS 20 H CYS 20 -0.822 -0.754 -2.712 132 HA CYS 20 HA CYS 20 0.891 0.182 -0.567 133 1HB CYS 20 1HB CYS 20 -1.464 -0.265 -0.152 134 2HB CYS 20 2HB CYS 20 -1.321 -1.902 -0.630 135 H GLY 21 H GLY 21 1.860 -1.324 0.915 136 1HA GLY 21 1HA GLY 21 3.644 -3.234 -0.469 137 2HA GLY 21 2HA GLY 21 3.933 -2.501 1.096 138 H ARG 22 H ARG 22 4.269 -5.136 0.488 139 HA ARG 22 HA ARG 22 2.076 -6.784 1.486 140 1HB ARG 22 1HB ARG 22 5.028 -7.458 1.100 141 2HB ARG 22 2HB ARG 22 3.750 -8.625 1.387 142 1HG ARG 22 1HG ARG 22 2.634 -7.891 -0.749 143 2HG ARG 22 2HG ARG 22 3.948 -6.765 -1.030 144 1HD ARG 22 1HD ARG 22 4.318 -8.858 -2.304 145 2HD ARG 22 2HD ARG 22 5.566 -8.670 -1.074 146 HE ARG 22 HE ARG 22 3.374 -10.159 0.013 147 1HH1 ARG 22 1HH1 ARG 22 5.993 -10.413 -2.243 148 2HH1 ARG 22 2HH1 ARG 22 6.144 -12.127 -2.046 149 1HH2 ARG 22 1HH2 ARG 22 3.546 -12.326 0.276 150 2HH2 ARG 22 2HH2 ARG 22 4.739 -13.227 -0.600 151 H ARG 23 H ARG 23 4.423 -4.826 2.793 152 HA ARG 23 HA ARG 23 4.861 -6.160 5.353 153 1HB ARG 23 1HB ARG 23 5.342 -3.260 4.540 154 2HB ARG 23 2HB ARG 23 6.019 -4.062 5.945 155 1HG ARG 23 1HG ARG 23 7.298 -5.594 4.483 156 2HG ARG 23 2HG ARG 23 6.574 -4.872 3.055 157 1HD ARG 23 1HD ARG 23 8.793 -3.883 3.441 158 2HD ARG 23 2HD ARG 23 7.557 -2.661 3.691 159 HE ARG 23 HE ARG 23 8.123 -3.949 6.184 160 1HH1 ARG 23 1HH1 ARG 23 9.477 -1.756 3.867 161 2HH1 ARG 23 2HH1 ARG 23 10.437 -0.925 5.044 162 1HH2 ARG 23 1HH2 ARG 23 9.329 -2.912 7.692 163 2HH2 ARG 23 2HH2 ARG 23 10.353 -1.589 7.244 164 H GLY 24 H GLY 24 2.665 -4.009 3.871 165 1HA GLY 24 1HA GLY 24 0.421 -3.726 4.759 166 2HA GLY 24 2HA GLY 24 1.090 -3.716 6.390 167 H LYS 25 H LYS 25 3.113 -1.996 4.290 168 HA LYS 25 HA LYS 25 1.834 0.601 5.139 169 1HB LYS 25 1HB LYS 25 4.731 0.201 4.380 170 2HB LYS 25 2HB LYS 25 4.017 1.619 5.077 171 1HG LYS 25 1HG LYS 25 4.213 -1.015 6.576 172 2HG LYS 25 2HG LYS 25 5.255 0.372 6.818 173 1HD LYS 25 1HD LYS 25 3.278 1.755 7.470 174 2HD LYS 25 2HD LYS 25 2.222 0.379 7.233 175 1HE LYS 25 1HE LYS 25 2.772 0.624 9.618 176 2HE LYS 25 2HE LYS 25 3.462 -0.870 9.004 177 1HZ LYS 25 1HZ LYS 25 5.044 1.607 8.996 178 2HZ LYS 25 2HZ LYS 25 4.899 0.685 10.415 179 3HZ LYS 25 3HZ LYS 25 5.575 -0.004 9.017 180 H CYS 26 H CYS 26 1.914 2.261 3.682 181 HA CYS 26 HA CYS 26 1.340 1.481 0.964 182 1HB CYS 26 1HB CYS 26 1.512 4.151 2.287 183 2HB CYS 26 2HB CYS 26 1.010 3.947 0.629 184 1HN NH2 27 1HT NH2 27 2.133 2.488 -1.019 185 2HN NH2 27 2HT NH2 27 3.787 2.797 -1.188 Start of MODEL 2 1 1H CYS 1 1H CYS 1 -8.036 8.099 0.825 2 2H CYS 1 2H CYS 1 -8.982 6.863 0.144 3 3H CYS 1 3H CYS 1 -8.602 6.829 1.800 4 HA CYS 1 HA CYS 1 -7.239 5.250 0.660 5 1HB CYS 1 1HB CYS 1 -5.667 5.991 -1.055 6 2HB CYS 1 2HB CYS 1 -7.298 6.319 -1.559 7 H LYS 2 H LYS 2 -5.351 4.808 1.593 8 HA LYS 2 HA LYS 2 -4.341 6.579 3.685 9 1HB LYS 2 1HB LYS 2 -3.739 3.757 2.801 10 2HB LYS 2 2HB LYS 2 -2.765 4.535 4.007 11 1HG LYS 2 1HG LYS 2 -4.522 3.040 4.933 12 2HG LYS 2 2HG LYS 2 -4.557 4.661 5.563 13 1HD LYS 2 1HD LYS 2 -6.430 3.801 3.331 14 2HD LYS 2 2HD LYS 2 -6.776 3.500 5.018 15 1HE LYS 2 1HE LYS 2 -6.366 6.307 3.890 16 2HE LYS 2 2HE LYS 2 -7.899 5.552 4.235 17 1HZ LYS 2 1HZ LYS 2 -6.950 5.212 6.543 18 2HZ LYS 2 2HZ LYS 2 -5.763 6.340 6.094 19 3HZ LYS 2 3HZ LYS 2 -7.402 6.786 6.091 20 H GLY 3 H GLY 3 -2.690 7.785 3.632 21 1HA GLY 3 1HA GLY 3 -1.229 8.419 1.247 22 2HA GLY 3 2HA GLY 3 -0.788 8.965 2.858 23 H LYS 4 H LYS 4 1.226 8.399 1.162 24 HA LYS 4 HA LYS 4 2.187 5.745 1.021 25 1HB LYS 4 1HB LYS 4 3.132 7.670 -0.254 26 2HB LYS 4 2HB LYS 4 3.763 8.315 1.253 27 1HG LYS 4 1HG LYS 4 5.216 6.328 1.537 28 2HG LYS 4 2HG LYS 4 4.502 5.571 0.132 29 1HD LYS 4 1HD LYS 4 6.701 6.458 -0.441 30 2HD LYS 4 2HD LYS 4 5.479 7.345 -1.319 31 1HE LYS 4 1HE LYS 4 6.821 8.343 1.227 32 2HE LYS 4 2HE LYS 4 7.280 8.821 -0.396 33 1HZ LYS 4 1HZ LYS 4 4.631 9.302 -0.364 34 2HZ LYS 4 2HZ LYS 4 5.089 9.701 1.222 35 3HZ LYS 4 3HZ LYS 4 5.845 10.456 -0.096 36 H GLY 5 H GLY 5 3.289 4.457 2.342 37 1HA GLY 5 1HA GLY 5 4.372 3.615 4.223 38 2HA GLY 5 2HA GLY 5 4.638 5.256 4.774 39 H ALA 6 H ALA 6 1.366 4.719 4.165 40 HA ALA 6 HA ALA 6 0.814 4.570 7.070 41 1HB ALA 6 1HB ALA 6 -1.004 5.160 4.719 42 2HB ALA 6 2HB ALA 6 -1.487 5.265 6.401 43 3HB ALA 6 3HB ALA 6 -0.269 6.359 5.766 44 HA PRO 7 HA PRO 7 -0.242 0.350 7.090 45 1HB PRO 7 1HB PRO 7 -2.518 0.406 8.800 46 2HB PRO 7 2HB PRO 7 -0.839 0.177 9.248 47 1HG PRO 7 1HG PRO 7 -2.519 2.554 9.567 48 2HG PRO 7 2HG PRO 7 -0.976 2.183 10.321 49 1HD PRO 7 1HD PRO 7 -1.417 4.056 8.228 50 2HD PRO 7 2HD PRO 7 0.157 3.480 8.806 51 H CYS 8 H CYS 8 -0.817 -0.089 5.049 52 HA CYS 8 HA CYS 8 -3.709 -0.063 4.299 53 1HB CYS 8 1HB CYS 8 -2.837 -0.201 1.980 54 2HB CYS 8 2HB CYS 8 -2.427 1.267 2.771 55 H ARG 9 H ARG 9 -3.983 -1.636 2.424 56 HA ARG 9 HA ARG 9 -2.862 -4.315 2.962 57 1HB ARG 9 1HB ARG 9 -5.179 -5.305 2.731 58 2HB ARG 9 2HB ARG 9 -4.933 -4.416 4.203 59 1HG ARG 9 1HG ARG 9 -6.327 -3.176 1.797 60 2HG ARG 9 2HG ARG 9 -7.193 -4.090 3.008 61 1HD ARG 9 1HD ARG 9 -5.551 -1.568 3.572 62 2HD ARG 9 2HD ARG 9 -7.302 -1.671 3.504 63 HE ARG 9 HE ARG 9 -6.776 -3.566 5.347 64 1HH1 ARG 9 1HH1 ARG 9 -5.538 -0.348 4.979 65 2HH1 ARG 9 2HH1 ARG 9 -5.296 -0.132 6.678 66 1HH2 ARG 9 1HH2 ARG 9 -6.476 -3.309 7.492 67 2HH2 ARG 9 2HH2 ARG 9 -5.831 -1.829 8.121 68 H LYS 10 H LYS 10 -2.175 -5.063 1.291 69 HA LYS 10 HA LYS 10 -2.221 -4.036 -1.366 70 1HB LYS 10 1HB LYS 10 -1.740 -6.972 -0.622 71 2HB LYS 10 2HB LYS 10 -1.233 -6.179 -2.085 72 1HG LYS 10 1HG LYS 10 0.688 -6.481 -0.632 73 2HG LYS 10 2HG LYS 10 0.354 -4.782 -0.843 74 1HD LYS 10 1HD LYS 10 0.951 -5.445 1.480 75 2HD LYS 10 2HD LYS 10 -0.540 -4.584 1.425 76 1HE LYS 10 1HE LYS 10 -1.668 -6.922 1.541 77 2HE LYS 10 2HE LYS 10 -0.055 -7.611 1.668 78 1HZ LYS 10 1HZ LYS 10 -1.153 -5.579 3.519 79 2HZ LYS 10 2HZ LYS 10 -1.175 -7.252 3.809 80 3HZ LYS 10 3HZ LYS 10 0.307 -6.432 3.681 81 H THR 11 H THR 11 -3.952 -6.322 0.376 82 HA THR 11 HA THR 11 -5.511 -7.906 -1.127 83 HB THR 11 HB THR 11 -6.591 -6.097 1.112 84 HG1 THR 11 HG1 THR 11 -4.727 -7.261 1.611 85 1HG2 THR 11 1HG2 THR 11 -7.405 -8.940 0.235 86 2HG2 THR 11 2HG2 THR 11 -8.125 -8.016 1.546 87 3HG2 THR 11 3HG2 THR 11 -8.377 -7.521 -0.119 88 H MET 12 H MET 12 -6.073 -4.472 -0.781 89 HA MET 12 HA MET 12 -7.658 -4.458 -3.296 90 1HB MET 12 1HB MET 12 -9.374 -2.984 -2.221 91 2HB MET 12 2HB MET 12 -9.313 -4.555 -1.452 92 1HG MET 12 1HG MET 12 -7.901 -3.668 0.338 93 2HG MET 12 2HG MET 12 -7.846 -2.101 -0.415 94 1HE MET 12 1HE MET 12 -10.049 -0.696 -0.874 95 2HE MET 12 2HE MET 12 -10.870 -0.290 0.618 96 3HE MET 12 3HE MET 12 -9.117 -0.188 0.556 97 H TYR 13 H TYR 13 -5.043 -3.408 -1.825 98 HA TYR 13 HA TYR 13 -3.630 -1.558 -1.971 99 1HB TYR 13 1HB TYR 13 -5.232 -1.212 -4.570 100 2HB TYR 13 2HB TYR 13 -3.688 -0.433 -4.238 101 HD1 TYR 13 HD1 TYR 13 -1.709 -2.005 -3.583 102 HD2 TYR 13 HD2 TYR 13 -5.260 -3.415 -5.468 103 HE1 TYR 13 HE1 TYR 13 -0.535 -4.035 -4.277 104 HE2 TYR 13 HE2 TYR 13 -4.080 -5.444 -6.160 105 HH TYR 13 HH TYR 13 -2.145 -6.769 -5.483 106 H ASP 14 H ASP 14 -4.810 -0.972 -0.181 107 HA ASP 14 HA ASP 14 -6.926 1.020 -0.238 108 1HB ASP 14 1HB ASP 14 -6.857 -0.706 1.440 109 2HB ASP 14 2HB ASP 14 -5.246 -0.270 1.932 110 H CYS 15 H CYS 15 -4.054 1.487 -1.227 111 HA CYS 15 HA CYS 15 -3.468 3.984 0.307 112 1HB CYS 15 1HB CYS 15 -1.728 2.483 -1.612 113 2HB CYS 15 2HB CYS 15 -1.251 3.870 -0.662 114 H CYS 16 H CYS 16 -2.889 5.868 -0.679 115 HA CYS 16 HA CYS 16 -4.427 6.642 -2.974 116 1HB CYS 16 1HB CYS 16 -2.131 8.033 -1.551 117 2HB CYS 16 2HB CYS 16 -3.244 8.808 -2.634 118 H SER 17 H SER 17 -1.195 5.674 -2.277 119 HA SER 17 HA SER 17 0.061 6.317 -4.788 120 1HB SER 17 1HB SER 17 1.371 5.925 -2.679 121 2HB SER 17 2HB SER 17 0.842 4.236 -2.669 122 HG SER 17 HG SER 17 1.813 3.947 -4.658 123 H GLY 18 H GLY 18 -1.893 3.745 -3.593 124 1HA GLY 18 1HA GLY 18 -3.024 2.058 -4.753 125 2HA GLY 18 2HA GLY 18 -2.246 2.590 -6.236 126 H SER 19 H SER 19 0.331 2.266 -4.426 127 HA SER 19 HA SER 19 0.692 -0.647 -5.000 128 1HB SER 19 1HB SER 19 3.135 -0.015 -5.310 129 2HB SER 19 2HB SER 19 2.092 0.856 -6.440 130 HG SER 19 HG SER 19 3.323 1.744 -4.085 131 H CYS 20 H CYS 20 -0.439 -0.639 -2.828 132 HA CYS 20 HA CYS 20 0.858 0.219 -0.472 133 1HB CYS 20 1HB CYS 20 -1.419 -0.436 -0.346 134 2HB CYS 20 2HB CYS 20 -1.132 -2.033 -0.924 135 H GLY 21 H GLY 21 2.549 -0.370 0.504 136 1HA GLY 21 1HA GLY 21 4.487 -2.205 -0.288 137 2HA GLY 21 2HA GLY 21 4.369 -1.549 1.340 138 H ARG 22 H ARG 22 5.006 -4.137 0.202 139 HA ARG 22 HA ARG 22 3.079 -6.148 0.783 140 1HB ARG 22 1HB ARG 22 4.902 -7.743 0.542 141 2HB ARG 22 2HB ARG 22 5.063 -6.506 -0.676 142 1HG ARG 22 1HG ARG 22 6.704 -6.687 1.892 143 2HG ARG 22 2HG ARG 22 7.257 -7.093 0.289 144 1HD ARG 22 1HD ARG 22 6.956 -4.677 -0.402 145 2HD ARG 22 2HD ARG 22 6.511 -4.308 1.262 146 HE ARG 22 HE ARG 22 8.718 -4.554 1.939 147 1HH1 ARG 22 1HH1 ARG 22 8.299 -5.718 -1.302 148 2HH1 ARG 22 2HH1 ARG 22 10.000 -5.864 -1.586 149 1HH2 ARG 22 1HH2 ARG 22 10.867 -4.735 1.600 150 2HH2 ARG 22 2HH2 ARG 22 11.477 -5.300 0.080 151 H ARG 23 H ARG 23 5.345 -4.511 2.859 152 HA ARG 23 HA ARG 23 5.136 -6.504 4.982 153 1HB ARG 23 1HB ARG 23 6.547 -4.925 6.254 154 2HB ARG 23 2HB ARG 23 7.189 -5.236 4.666 155 1HG ARG 23 1HG ARG 23 7.509 -2.908 5.064 156 2HG ARG 23 2HG ARG 23 6.221 -3.028 3.889 157 1HD ARG 23 1HD ARG 23 5.740 -1.340 5.626 158 2HD ARG 23 2HD ARG 23 4.539 -2.608 5.685 159 HE ARG 23 HE ARG 23 6.934 -2.679 7.473 160 1HH1 ARG 23 1HH1 ARG 23 3.466 -2.635 7.095 161 2HH1 ARG 23 2HH1 ARG 23 3.196 -2.950 8.772 162 1HH2 ARG 23 1HH2 ARG 23 6.578 -3.072 9.570 163 2HH2 ARG 23 2HH2 ARG 23 4.964 -3.202 10.185 164 H GLY 24 H GLY 24 3.115 -4.005 3.932 165 1HA GLY 24 1HA GLY 24 0.873 -4.067 5.051 166 2HA GLY 24 2HA GLY 24 1.708 -3.952 6.581 167 H LYS 25 H LYS 25 3.278 -1.909 4.452 168 HA LYS 25 HA LYS 25 1.561 0.415 5.317 169 1HB LYS 25 1HB LYS 25 4.576 0.383 4.824 170 2HB LYS 25 2HB LYS 25 3.644 1.789 5.268 171 1HG LYS 25 1HG LYS 25 3.910 -0.672 7.016 172 2HG LYS 25 2HG LYS 25 4.823 0.806 7.232 173 1HD LYS 25 1HD LYS 25 2.708 2.062 7.593 174 2HD LYS 25 2HD LYS 25 1.780 0.608 7.341 175 1HE LYS 25 1HE LYS 25 2.864 -0.431 9.322 176 2HE LYS 25 2HE LYS 25 3.798 1.041 9.569 177 1HZ LYS 25 1HZ LYS 25 0.903 1.295 9.334 178 2HZ LYS 25 2HZ LYS 25 1.521 0.626 10.768 179 3HZ LYS 25 3HZ LYS 25 2.002 2.180 10.278 180 H CYS 26 H CYS 26 1.812 2.308 3.833 181 HA CYS 26 HA CYS 26 1.307 1.370 1.132 182 1HB CYS 26 1HB CYS 26 1.344 4.112 2.334 183 2HB CYS 26 2HB CYS 26 0.898 3.777 0.681 184 1HN NH2 27 1HT NH2 27 2.229 2.323 -0.834 185 2HN NH2 27 2HT NH2 27 3.881 2.692 -0.893 Start of MODEL 3 1 1H CYS 1 1H CYS 1 -8.223 8.097 1.121 2 2H CYS 1 2H CYS 1 -9.131 6.880 0.359 3 3H CYS 1 3H CYS 1 -8.782 6.767 2.019 4 HA CYS 1 HA CYS 1 -7.341 5.280 0.926 5 1HB CYS 1 1HB CYS 1 -5.845 6.009 -0.855 6 2HB CYS 1 2HB CYS 1 -7.496 6.283 -1.327 7 H LYS 2 H LYS 2 -5.267 4.987 1.636 8 HA LYS 2 HA LYS 2 -4.261 7.001 3.557 9 1HB LYS 2 1HB LYS 2 -4.115 4.023 3.339 10 2HB LYS 2 2HB LYS 2 -2.856 4.844 4.221 11 1HG LYS 2 1HG LYS 2 -4.740 4.203 5.694 12 2HG LYS 2 2HG LYS 2 -4.446 5.925 5.687 13 1HD LYS 2 1HD LYS 2 -6.808 5.564 5.643 14 2HD LYS 2 2HD LYS 2 -6.378 6.235 4.118 15 1HE LYS 2 1HE LYS 2 -6.339 3.880 3.142 16 2HE LYS 2 2HE LYS 2 -6.920 3.309 4.700 17 1HZ LYS 2 1HZ LYS 2 -8.310 5.270 2.978 18 2HZ LYS 2 2HZ LYS 2 -8.704 3.624 3.126 19 3HZ LYS 2 3HZ LYS 2 -8.870 4.660 4.462 20 H GLY 3 H GLY 3 -2.572 8.194 3.075 21 1HA GLY 3 1HA GLY 3 -1.026 8.067 0.708 22 2HA GLY 3 2HA GLY 3 -0.597 8.993 2.140 23 H LYS 4 H LYS 4 1.327 7.882 0.577 24 HA LYS 4 HA LYS 4 2.343 5.380 0.968 25 1HB LYS 4 1HB LYS 4 4.535 6.389 0.610 26 2HB LYS 4 2HB LYS 4 3.337 6.978 -0.520 27 1HG LYS 4 1HG LYS 4 3.023 9.014 0.981 28 2HG LYS 4 2HG LYS 4 4.363 8.448 1.952 29 1HD LYS 4 1HD LYS 4 4.531 9.169 -0.989 30 2HD LYS 4 2HD LYS 4 5.026 10.205 0.326 31 1HE LYS 4 1HE LYS 4 7.010 9.157 -0.624 32 2HE LYS 4 2HE LYS 4 6.755 8.473 0.970 33 1HZ LYS 4 1HZ LYS 4 5.444 7.040 -1.155 34 2HZ LYS 4 2HZ LYS 4 7.138 7.060 -1.263 35 3HZ LYS 4 3HZ LYS 4 6.385 6.464 0.136 36 H GLY 5 H GLY 5 3.334 4.223 2.426 37 1HA GLY 5 1HA GLY 5 4.486 3.578 4.352 38 2HA GLY 5 2HA GLY 5 4.619 5.254 4.831 39 H ALA 6 H ALA 6 1.420 4.685 4.175 40 HA ALA 6 HA ALA 6 0.767 4.495 7.047 41 1HB ALA 6 1HB ALA 6 -0.936 5.033 4.616 42 2HB ALA 6 2HB ALA 6 -1.520 5.154 6.268 43 3HB ALA 6 3HB ALA 6 -0.281 6.254 5.693 44 HA PRO 7 HA PRO 7 -0.262 0.289 7.057 45 1HB PRO 7 1HB PRO 7 -2.437 0.192 8.816 46 2HB PRO 7 2HB PRO 7 -0.744 0.293 9.268 47 1HG PRO 7 1HG PRO 7 -2.806 2.420 9.280 48 2HG PRO 7 2HG PRO 7 -1.343 2.284 10.246 49 1HD PRO 7 1HD PRO 7 -1.687 3.978 8.018 50 2HD PRO 7 2HD PRO 7 -0.127 3.544 8.743 51 H CYS 8 H CYS 8 -0.868 -0.067 4.979 52 HA CYS 8 HA CYS 8 -3.743 -0.045 4.244 53 1HB CYS 8 1HB CYS 8 -2.799 -0.358 1.934 54 2HB CYS 8 2HB CYS 8 -2.539 1.172 2.671 55 H ARG 9 H ARG 9 -4.410 -1.581 2.692 56 HA ARG 9 HA ARG 9 -3.517 -4.371 3.237 57 1HB ARG 9 1HB ARG 9 -5.984 -4.915 2.730 58 2HB ARG 9 2HB ARG 9 -5.676 -4.103 4.251 59 1HG ARG 9 1HG ARG 9 -6.322 -1.959 3.219 60 2HG ARG 9 2HG ARG 9 -6.644 -2.771 1.700 61 1HD ARG 9 1HD ARG 9 -8.372 -4.189 2.877 62 2HD ARG 9 2HD ARG 9 -8.009 -3.370 4.382 63 HE ARG 9 HE ARG 9 -9.577 -2.298 2.167 64 1HH1 ARG 9 1HH1 ARG 9 -7.600 -1.569 4.920 65 2HH1 ARG 9 2HH1 ARG 9 -8.297 -0.002 5.151 66 1HH2 ARG 9 1HH2 ARG 9 -10.474 -0.315 2.440 67 2HH2 ARG 9 2HH2 ARG 9 -9.947 0.721 3.726 68 H LYS 10 H LYS 10 -2.572 -5.138 1.690 69 HA LYS 10 HA LYS 10 -2.180 -4.230 -0.948 70 1HB LYS 10 1HB LYS 10 -2.071 -7.174 -0.142 71 2HB LYS 10 2HB LYS 10 -1.253 -6.434 -1.485 72 1HG LYS 10 1HG LYS 10 0.394 -6.946 0.176 73 2HG LYS 10 2HG LYS 10 0.224 -5.206 0.146 74 1HD LYS 10 1HD LYS 10 -0.982 -5.163 2.209 75 2HD LYS 10 2HD LYS 10 -1.301 -6.897 2.178 76 1HE LYS 10 1HE LYS 10 1.208 -7.211 2.466 77 2HE LYS 10 2HE LYS 10 1.363 -5.463 2.574 78 1HZ LYS 10 1HZ LYS 10 -0.404 -5.698 4.398 79 2HZ LYS 10 2HZ LYS 10 0.109 -7.318 4.451 80 3HZ LYS 10 3HZ LYS 10 1.218 -6.065 4.744 81 H THR 11 H THR 11 -4.385 -6.401 0.473 82 HA THR 11 HA THR 11 -5.698 -7.872 -1.322 83 HB THR 11 HB THR 11 -6.972 -6.082 0.817 84 HG1 THR 11 HG1 THR 11 -5.865 -8.690 0.699 85 1HG2 THR 11 1HG2 THR 11 -7.892 -8.802 -0.331 86 2HG2 THR 11 2HG2 THR 11 -8.709 -7.883 0.921 87 3HG2 THR 11 3HG2 THR 11 -8.691 -7.292 -0.731 88 H MET 12 H MET 12 -6.090 -4.395 -1.093 89 HA MET 12 HA MET 12 -7.209 -4.351 -3.833 90 1HB MET 12 1HB MET 12 -9.130 -2.888 -3.126 91 2HB MET 12 2HB MET 12 -9.208 -4.483 -2.410 92 1HG MET 12 1HG MET 12 -8.080 -2.077 -0.972 93 2HG MET 12 2HG MET 12 -9.710 -2.645 -0.772 94 1HE MET 12 1HE MET 12 -10.116 -5.327 -0.266 95 2HE MET 12 2HE MET 12 -9.628 -5.623 1.390 96 3HE MET 12 3HE MET 12 -10.488 -4.141 1.009 97 H TYR 13 H TYR 13 -4.920 -3.369 -1.959 98 HA TYR 13 HA TYR 13 -3.510 -1.527 -1.803 99 1HB TYR 13 1HB TYR 13 -4.736 -1.022 -4.577 100 2HB TYR 13 2HB TYR 13 -3.277 -0.239 -3.971 101 HD1 TYR 13 HD1 TYR 13 -1.356 -1.723 -3.221 102 HD2 TYR 13 HD2 TYR 13 -4.604 -3.235 -5.512 103 HE1 TYR 13 HE1 TYR 13 -0.003 -3.670 -3.840 104 HE2 TYR 13 HE2 TYR 13 -3.256 -5.183 -6.134 105 HH TYR 13 HH TYR 13 -0.563 -5.581 -6.310 106 H ASP 14 H ASP 14 -4.831 -0.972 -0.142 107 HA ASP 14 HA ASP 14 -6.970 0.987 -0.357 108 1HB ASP 14 1HB ASP 14 -7.037 -0.693 1.323 109 2HB ASP 14 2HB ASP 14 -5.453 -0.323 1.924 110 H CYS 15 H CYS 15 -4.061 1.515 -1.139 111 HA CYS 15 HA CYS 15 -3.579 3.989 0.452 112 1HB CYS 15 1HB CYS 15 -1.779 2.674 -1.559 113 2HB CYS 15 2HB CYS 15 -1.373 3.975 -0.462 114 H CYS 16 H CYS 16 -2.983 5.946 -0.546 115 HA CYS 16 HA CYS 16 -4.590 6.645 -2.840 116 1HB CYS 16 1HB CYS 16 -2.359 8.170 -1.454 117 2HB CYS 16 2HB CYS 16 -3.536 8.847 -2.539 118 H SER 17 H SER 17 -1.331 5.794 -2.127 119 HA SER 17 HA SER 17 -0.046 6.526 -4.583 120 1HB SER 17 1HB SER 17 1.229 6.049 -2.469 121 2HB SER 17 2HB SER 17 0.713 4.357 -2.543 122 HG SER 17 HG SER 17 1.721 4.180 -4.542 123 H GLY 18 H GLY 18 -2.130 3.977 -3.669 124 1HA GLY 18 1HA GLY 18 -3.176 2.350 -4.982 125 2HA GLY 18 2HA GLY 18 -2.244 2.915 -6.369 126 H SER 19 H SER 19 -0.044 2.447 -4.063 127 HA SER 19 HA SER 19 0.401 -0.450 -4.625 128 1HB SER 19 1HB SER 19 2.863 0.119 -4.873 129 2HB SER 19 2HB SER 19 1.889 0.950 -6.094 130 HG SER 19 HG SER 19 1.729 2.666 -4.419 131 H CYS 20 H CYS 20 0.401 -1.495 -2.803 132 HA CYS 20 HA CYS 20 1.315 -0.153 -0.294 133 1HB CYS 20 1HB CYS 20 -1.059 -0.612 -0.250 134 2HB CYS 20 2HB CYS 20 -0.856 -2.267 -0.694 135 H GLY 21 H GLY 21 3.156 -0.826 0.294 136 1HA GLY 21 1HA GLY 21 4.705 -2.943 -0.646 137 2HA GLY 21 2HA GLY 21 4.963 -2.133 0.891 138 H ARG 22 H ARG 22 5.563 -4.710 0.523 139 HA ARG 22 HA ARG 22 3.571 -6.612 1.352 140 1HB ARG 22 1HB ARG 22 6.613 -6.735 1.519 141 2HB ARG 22 2HB ARG 22 5.559 -8.116 1.736 142 1HG ARG 22 1HG ARG 22 5.779 -6.459 -0.817 143 2HG ARG 22 2HG ARG 22 6.517 -8.025 -0.559 144 1HD ARG 22 1HD ARG 22 4.214 -9.029 -0.242 145 2HD ARG 22 2HD ARG 22 3.513 -7.452 -0.575 146 HE ARG 22 HE ARG 22 3.946 -7.754 -2.842 147 1HH1 ARG 22 1HH1 ARG 22 5.784 -10.012 -0.958 148 2HH1 ARG 22 2HH1 ARG 22 6.324 -10.898 -2.345 149 1HH2 ARG 22 1HH2 ARG 22 4.620 -8.861 -4.606 150 2HH2 ARG 22 2HH2 ARG 22 5.659 -10.238 -4.439 151 H ARG 23 H ARG 23 5.504 -4.380 3.063 152 HA ARG 23 HA ARG 23 5.336 -5.730 5.650 153 1HB ARG 23 1HB ARG 23 6.329 -3.626 6.523 154 2HB ARG 23 2HB ARG 23 7.227 -4.240 5.151 155 1HG ARG 23 1HG ARG 23 6.132 -2.630 3.638 156 2HG ARG 23 2HG ARG 23 5.109 -2.049 4.932 157 1HD ARG 23 1HD ARG 23 8.159 -1.858 4.873 158 2HD ARG 23 2HD ARG 23 7.041 -0.528 4.570 159 HE ARG 23 HE ARG 23 6.440 -1.720 7.106 160 1HH1 ARG 23 1HH1 ARG 23 8.790 0.252 5.498 161 2HH1 ARG 23 2HH1 ARG 23 9.258 1.075 6.949 162 1HH2 ARG 23 1HH2 ARG 23 7.013 -0.692 8.953 163 2HH2 ARG 23 2HH2 ARG 23 8.240 0.532 8.933 164 H GLY 24 H GLY 24 3.037 -4.400 3.820 165 1HA GLY 24 1HA GLY 24 0.802 -3.938 4.344 166 2HA GLY 24 2HA GLY 24 1.205 -3.988 6.055 167 H LYS 25 H LYS 25 3.194 -1.992 4.102 168 HA LYS 25 HA LYS 25 1.715 0.439 5.089 169 1HB LYS 25 1HB LYS 25 4.661 0.262 4.356 170 2HB LYS 25 2HB LYS 25 3.840 1.628 5.047 171 1HG LYS 25 1HG LYS 25 4.153 -1.013 6.517 172 2HG LYS 25 2HG LYS 25 5.131 0.418 6.772 173 1HD LYS 25 1HD LYS 25 3.130 1.696 7.469 174 2HD LYS 25 2HD LYS 25 2.106 0.310 7.173 175 1HE LYS 25 1HE LYS 25 2.676 0.485 9.577 176 2HE LYS 25 2HE LYS 25 3.373 -0.979 8.901 177 1HZ LYS 25 1HZ LYS 25 4.876 1.559 9.094 178 2HZ LYS 25 2HZ LYS 25 4.865 0.398 10.335 179 3HZ LYS 25 3HZ LYS 25 5.483 -0.001 8.803 180 H CYS 26 H CYS 26 1.818 2.251 3.704 181 HA CYS 26 HA CYS 26 1.279 1.532 0.935 182 1HB CYS 26 1HB CYS 26 1.225 4.137 2.406 183 2HB CYS 26 2HB CYS 26 0.722 3.953 0.744 184 1HN NH2 27 1HT NH2 27 2.033 3.242 -0.818 185 2HN NH2 27 2HT NH2 27 3.707 3.461 -0.918 Start of MODEL 4 1 1H CYS 1 1H CYS 1 -8.157 7.826 1.122 2 2H CYS 1 2H CYS 1 -9.065 6.632 0.326 3 3H CYS 1 3H CYS 1 -8.662 6.440 1.965 4 HA CYS 1 HA CYS 1 -7.227 5.037 0.735 5 1HB CYS 1 1HB CYS 1 -5.824 5.901 -1.056 6 2HB CYS 1 2HB CYS 1 -7.490 6.226 -1.431 7 H LYS 2 H LYS 2 -5.350 4.664 1.705 8 HA LYS 2 HA LYS 2 -4.338 6.569 3.694 9 1HB LYS 2 1HB LYS 2 -3.674 3.703 3.007 10 2HB LYS 2 2HB LYS 2 -2.746 4.595 4.175 11 1HG LYS 2 1HG LYS 2 -4.472 3.106 5.177 12 2HG LYS 2 2HG LYS 2 -4.569 4.765 5.696 13 1HD LYS 2 1HD LYS 2 -6.362 3.717 3.479 14 2HD LYS 2 2HD LYS 2 -6.739 3.504 5.172 15 1HE LYS 2 1HE LYS 2 -6.886 5.846 5.573 16 2HE LYS 2 2HE LYS 2 -6.312 6.294 3.999 17 1HZ LYS 2 1HZ LYS 2 -8.258 5.065 3.088 18 2HZ LYS 2 2HZ LYS 2 -8.833 4.922 4.679 19 3HZ LYS 2 3HZ LYS 2 -8.633 6.459 3.984 20 H GLY 3 H GLY 3 -2.706 7.767 3.557 21 1HA GLY 3 1HA GLY 3 -1.262 8.334 1.163 22 2HA GLY 3 2HA GLY 3 -0.767 8.870 2.765 23 H LYS 4 H LYS 4 1.184 8.240 0.951 24 HA LYS 4 HA LYS 4 2.072 5.571 0.878 25 1HB LYS 4 1HB LYS 4 4.252 6.571 0.295 26 2HB LYS 4 2HB LYS 4 2.933 7.300 -0.586 27 1HG LYS 4 1HG LYS 4 2.939 9.230 1.017 28 2HG LYS 4 2HG LYS 4 4.298 8.502 1.866 29 1HD LYS 4 1HD LYS 4 5.644 8.574 -0.235 30 2HD LYS 4 2HD LYS 4 4.289 9.308 -1.075 31 1HE LYS 4 1HE LYS 4 4.394 11.261 0.482 32 2HE LYS 4 2HE LYS 4 5.771 10.527 1.289 33 1HZ LYS 4 1HZ LYS 4 6.103 10.638 -1.541 34 2HZ LYS 4 2HZ LYS 4 5.869 12.174 -0.859 35 3HZ LYS 4 3HZ LYS 4 7.129 11.180 -0.301 36 H GLY 5 H GLY 5 3.253 4.327 2.177 37 1HA GLY 5 1HA GLY 5 4.475 3.560 4.008 38 2HA GLY 5 2HA GLY 5 4.737 5.218 4.509 39 H ALA 6 H ALA 6 1.472 4.775 4.088 40 HA ALA 6 HA ALA 6 1.038 4.576 7.006 41 1HB ALA 6 1HB ALA 6 -0.045 6.410 5.762 42 2HB ALA 6 2HB ALA 6 -0.861 5.241 4.736 43 3HB ALA 6 3HB ALA 6 -1.273 5.350 6.433 44 HA PRO 7 HA PRO 7 -0.151 0.420 7.092 45 1HB PRO 7 1HB PRO 7 -2.464 0.538 8.758 46 2HB PRO 7 2HB PRO 7 -0.798 0.271 9.237 47 1HG PRO 7 1HG PRO 7 -2.427 2.697 9.494 48 2HG PRO 7 2HG PRO 7 -0.908 2.300 10.285 49 1HD PRO 7 1HD PRO 7 -1.261 4.157 8.172 50 2HD PRO 7 2HD PRO 7 0.288 3.542 8.769 51 H CYS 8 H CYS 8 -0.746 -0.159 5.087 52 HA CYS 8 HA CYS 8 -3.619 0.038 4.298 53 1HB CYS 8 1HB CYS 8 -2.698 -0.229 1.976 54 2HB CYS 8 2HB CYS 8 -2.367 1.239 2.776 55 H ARG 9 H ARG 9 -3.823 -1.530 2.292 56 HA ARG 9 HA ARG 9 -3.017 -4.292 2.890 57 1HB ARG 9 1HB ARG 9 -5.076 -3.831 4.188 58 2HB ARG 9 2HB ARG 9 -5.849 -3.256 2.721 59 1HG ARG 9 1HG ARG 9 -5.560 -5.488 1.722 60 2HG ARG 9 2HG ARG 9 -4.841 -6.081 3.200 61 1HD ARG 9 1HD ARG 9 -7.288 -6.639 3.084 62 2HD ARG 9 2HD ARG 9 -6.922 -5.623 4.469 63 HE ARG 9 HE ARG 9 -8.377 -4.820 2.013 64 1HH1 ARG 9 1HH1 ARG 9 -6.963 -3.894 5.059 65 2HH1 ARG 9 2HH1 ARG 9 -7.847 -2.409 5.128 66 1HH2 ARG 9 1HH2 ARG 9 -9.486 -2.938 2.113 67 2HH2 ARG 9 2HH2 ARG 9 -9.280 -1.856 3.449 68 H LYS 10 H LYS 10 -2.070 -4.649 1.093 69 HA LYS 10 HA LYS 10 -2.346 -3.588 -1.481 70 1HB LYS 10 1HB LYS 10 -1.624 -6.526 -1.164 71 2HB LYS 10 2HB LYS 10 -1.051 -5.389 -2.350 72 1HG LYS 10 1HG LYS 10 0.837 -5.507 -1.016 73 2HG LYS 10 2HG LYS 10 0.018 -4.138 -0.310 74 1HD LYS 10 1HD LYS 10 0.790 -5.567 1.500 75 2HD LYS 10 2HD LYS 10 -0.929 -5.668 1.524 76 1HE LYS 10 1HE LYS 10 0.021 -7.892 1.760 77 2HE LYS 10 2HE LYS 10 -0.881 -7.802 0.260 78 1HZ LYS 10 1HZ LYS 10 1.977 -7.161 0.221 79 2HZ LYS 10 2HZ LYS 10 1.505 -8.788 0.333 80 3HZ LYS 10 3HZ LYS 10 1.004 -7.844 -0.987 81 H THR 11 H THR 11 -4.034 -6.126 0.052 82 HA THR 11 HA THR 11 -5.322 -7.689 -1.734 83 HB THR 11 HB THR 11 -6.828 -6.137 0.441 84 HG1 THR 11 HG1 THR 11 -5.253 -8.516 0.344 85 1HG2 THR 11 1HG2 THR 11 -7.243 -8.970 -0.696 86 2HG2 THR 11 2HG2 THR 11 -8.211 -8.211 0.558 87 3HG2 THR 11 3HG2 THR 11 -8.288 -7.612 -1.088 88 H MET 12 H MET 12 -6.269 -4.376 -1.088 89 HA MET 12 HA MET 12 -7.567 -4.232 -3.771 90 1HB MET 12 1HB MET 12 -9.478 -2.985 -2.749 91 2HB MET 12 2HB MET 12 -9.338 -4.615 -2.126 92 1HG MET 12 1HG MET 12 -8.267 -3.851 -0.103 93 2HG MET 12 2HG MET 12 -8.225 -2.209 -0.662 94 1HE MET 12 1HE MET 12 -9.904 -5.018 0.936 95 2HE MET 12 2HE MET 12 -11.506 -4.489 1.391 96 3HE MET 12 3HE MET 12 -11.215 -5.044 -0.259 97 H TYR 13 H TYR 13 -5.117 -3.275 -2.205 98 HA TYR 13 HA TYR 13 -3.762 -1.401 -2.074 99 1HB TYR 13 1HB TYR 13 -5.354 -0.727 -4.612 100 2HB TYR 13 2HB TYR 13 -3.838 0.038 -4.147 101 HD1 TYR 13 HD1 TYR 13 -1.884 -1.645 -3.543 102 HD2 TYR 13 HD2 TYR 13 -5.228 -2.661 -5.979 103 HE1 TYR 13 HE1 TYR 13 -0.614 -3.496 -4.510 104 HE2 TYR 13 HE2 TYR 13 -3.951 -4.513 -6.946 105 HH TYR 13 HH TYR 13 -1.351 -4.981 -7.272 106 H ASP 14 H ASP 14 -4.860 -1.009 -0.221 107 HA ASP 14 HA ASP 14 -6.987 0.965 0.010 108 1HB ASP 14 1HB ASP 14 -6.807 -0.903 1.570 109 2HB ASP 14 2HB ASP 14 -5.197 -0.487 2.015 110 H CYS 15 H CYS 15 -4.272 1.536 -1.193 111 HA CYS 15 HA CYS 15 -3.561 3.942 0.431 112 1HB CYS 15 1HB CYS 15 -1.831 2.496 -1.559 113 2HB CYS 15 2HB CYS 15 -1.360 3.845 -0.560 114 H CYS 16 H CYS 16 -3.022 5.857 -0.571 115 HA CYS 16 HA CYS 16 -4.578 6.546 -2.882 116 1HB CYS 16 1HB CYS 16 -2.323 8.043 -1.497 117 2HB CYS 16 2HB CYS 16 -3.487 8.752 -2.580 118 H SER 17 H SER 17 -1.354 5.618 -2.140 119 HA SER 17 HA SER 17 -0.012 6.278 -4.591 120 1HB SER 17 1HB SER 17 1.210 5.798 -2.454 121 2HB SER 17 2HB SER 17 0.648 4.121 -2.510 122 HG SER 17 HG SER 17 2.437 5.472 -4.183 123 H GLY 18 H GLY 18 -2.018 3.677 -3.520 124 1HA GLY 18 1HA GLY 18 -3.093 1.990 -4.713 125 2HA GLY 18 2HA GLY 18 -2.398 2.648 -6.186 126 H SER 19 H SER 19 0.075 2.164 -4.104 127 HA SER 19 HA SER 19 0.598 -0.652 -4.948 128 1HB SER 19 1HB SER 19 2.993 0.082 -5.417 129 2HB SER 19 2HB SER 19 1.844 0.926 -6.464 130 HG SER 19 HG SER 19 3.224 1.841 -4.214 131 H CYS 20 H CYS 20 -0.332 -0.832 -2.765 132 HA CYS 20 HA CYS 20 1.113 0.069 -0.468 133 1HB CYS 20 1HB CYS 20 -1.205 -0.481 -0.280 134 2HB CYS 20 2HB CYS 20 -0.979 -2.099 -0.817 135 H GLY 21 H GLY 21 2.692 -0.697 0.605 136 1HA GLY 21 1HA GLY 21 4.463 -2.726 -0.359 137 2HA GLY 21 2HA GLY 21 4.591 -1.900 1.193 138 H ARG 22 H ARG 22 4.977 -4.674 0.507 139 HA ARG 22 HA ARG 22 2.805 -6.276 1.562 140 1HB ARG 22 1HB ARG 22 4.469 -7.102 -0.118 141 2HB ARG 22 2HB ARG 22 5.736 -6.985 1.087 142 1HG ARG 22 1HG ARG 22 4.614 -8.695 2.484 143 2HG ARG 22 2HG ARG 22 3.255 -8.750 1.379 144 1HD ARG 22 1HD ARG 22 4.758 -10.650 0.924 145 2HD ARG 22 2HD ARG 22 4.829 -9.535 -0.424 146 HE ARG 22 HE ARG 22 7.010 -8.841 0.236 147 1HH1 ARG 22 1HH1 ARG 22 5.650 -11.207 2.397 148 2HH1 ARG 22 2HH1 ARG 22 7.179 -11.567 3.120 149 1HH2 ARG 22 1HH2 ARG 22 8.935 -9.291 1.158 150 2HH2 ARG 22 2HH2 ARG 22 9.056 -10.473 2.419 151 H ARG 23 H ARG 23 5.199 -4.392 2.999 152 HA ARG 23 HA ARG 23 5.469 -5.950 5.464 153 1HB ARG 23 1HB ARG 23 6.724 -3.965 6.278 154 2HB ARG 23 2HB ARG 23 7.294 -4.464 4.699 155 1HG ARG 23 1HG ARG 23 5.933 -2.676 3.621 156 2HG ARG 23 2HG ARG 23 5.319 -2.188 5.189 157 1HD ARG 23 1HD ARG 23 7.623 -1.659 5.933 158 2HD ARG 23 2HD ARG 23 8.254 -2.132 4.355 159 HE ARG 23 HE ARG 23 6.442 -0.303 3.592 160 1HH1 ARG 23 1HH1 ARG 23 8.736 -0.206 6.200 161 2HH1 ARG 23 2HH1 ARG 23 8.878 1.517 6.145 162 1HH2 ARG 23 1HH2 ARG 23 6.617 1.867 3.515 163 2HH2 ARG 23 2HH2 ARG 23 7.669 2.707 4.606 164 H GLY 24 H GLY 24 3.003 -4.255 4.136 165 1HA GLY 24 1HA GLY 24 0.881 -3.958 5.161 166 2HA GLY 24 2HA GLY 24 1.644 -3.885 6.739 167 H LYS 25 H LYS 25 3.291 -1.993 4.483 168 HA LYS 25 HA LYS 25 1.844 0.491 5.389 169 1HB LYS 25 1HB LYS 25 4.764 0.230 4.596 170 2HB LYS 25 2HB LYS 25 3.994 1.669 5.204 171 1HG LYS 25 1HG LYS 25 4.311 -0.887 6.828 172 2HG LYS 25 2HG LYS 25 5.324 0.534 6.984 173 1HD LYS 25 1HD LYS 25 3.385 1.896 7.649 174 2HD LYS 25 2HD LYS 25 2.301 0.542 7.430 175 1HE LYS 25 1HE LYS 25 3.545 -0.705 9.206 176 2HE LYS 25 2HE LYS 25 4.597 0.692 9.423 177 1HZ LYS 25 1HZ LYS 25 1.654 0.796 9.709 178 2HZ LYS 25 2HZ LYS 25 2.726 0.548 11.005 179 3HZ LYS 25 3HZ LYS 25 2.780 2.000 10.122 180 H CYS 26 H CYS 26 1.976 2.245 3.825 181 HA CYS 26 HA CYS 26 1.375 1.243 1.147 182 1HB CYS 26 1HB CYS 26 1.350 4.010 2.300 183 2HB CYS 26 2HB CYS 26 0.889 3.642 0.660 184 1HN NH2 27 1HT NH2 27 2.167 2.536 -0.831 185 2HN NH2 27 2HT NH2 27 3.837 2.825 -0.915 Start of MODEL 5 1 1H CYS 1 1H CYS 1 -8.157 8.052 1.225 2 2H CYS 1 2H CYS 1 -9.054 6.811 0.493 3 3H CYS 1 3H CYS 1 -8.705 6.741 2.154 4 HA CYS 1 HA CYS 1 -7.269 5.231 1.015 5 1HB CYS 1 1HB CYS 1 -5.705 6.044 -0.671 6 2HB CYS 1 2HB CYS 1 -7.340 6.315 -1.195 7 H LYS 2 H LYS 2 -5.206 4.900 1.649 8 HA LYS 2 HA LYS 2 -4.234 6.631 3.834 9 1HB LYS 2 1HB LYS 2 -3.635 3.774 2.981 10 2HB LYS 2 2HB LYS 2 -2.773 4.557 4.276 11 1HG LYS 2 1HG LYS 2 -4.589 3.144 5.134 12 2HG LYS 2 2HG LYS 2 -4.796 4.821 5.588 13 1HD LYS 2 1HD LYS 2 -6.548 5.118 3.908 14 2HD LYS 2 2HD LYS 2 -6.280 3.519 3.252 15 1HE LYS 2 1HE LYS 2 -8.253 3.561 4.754 16 2HE LYS 2 2HE LYS 2 -6.999 2.601 5.521 17 1HZ LYS 2 1HZ LYS 2 -7.291 5.484 6.060 18 2HZ LYS 2 2HZ LYS 2 -8.162 4.310 6.925 19 3HZ LYS 2 3HZ LYS 2 -6.464 4.313 6.970 20 H GLY 3 H GLY 3 -2.534 7.878 3.636 21 1HA GLY 3 1HA GLY 3 -1.151 8.334 1.180 22 2HA GLY 3 2HA GLY 3 -0.669 8.976 2.741 23 H LYS 4 H LYS 4 1.430 8.498 1.388 24 HA LYS 4 HA LYS 4 2.421 5.856 1.101 25 1HB LYS 4 1HB LYS 4 3.425 7.845 0.019 26 2HB LYS 4 2HB LYS 4 3.960 8.425 1.586 27 1HG LYS 4 1HG LYS 4 5.399 6.412 1.864 28 2HG LYS 4 2HG LYS 4 4.799 5.752 0.359 29 1HD LYS 4 1HD LYS 4 7.008 6.747 0.009 30 2HD LYS 4 2HD LYS 4 5.810 7.672 -0.872 31 1HE LYS 4 1HE LYS 4 5.791 9.390 0.931 32 2HE LYS 4 2HE LYS 4 6.959 8.444 1.848 33 1HZ LYS 4 1HZ LYS 4 8.502 8.668 0.001 34 2HZ LYS 4 2HZ LYS 4 7.371 9.609 -0.845 35 3HZ LYS 4 3HZ LYS 4 8.033 10.181 0.611 36 H GLY 5 H GLY 5 3.462 4.492 2.367 37 1HA GLY 5 1HA GLY 5 4.386 3.460 4.227 38 2HA GLY 5 2HA GLY 5 4.719 5.045 4.894 39 H ALA 6 H ALA 6 1.488 4.902 4.193 40 HA ALA 6 HA ALA 6 0.788 4.617 7.034 41 1HB ALA 6 1HB ALA 6 -0.910 5.241 4.598 42 2HB ALA 6 2HB ALA 6 -1.471 5.356 6.254 43 3HB ALA 6 3HB ALA 6 -0.207 6.428 5.679 44 HA PRO 7 HA PRO 7 -0.243 0.434 6.939 45 1HB PRO 7 1HB PRO 7 -2.371 0.272 8.739 46 2HB PRO 7 2HB PRO 7 -0.672 0.412 9.161 47 1HG PRO 7 1HG PRO 7 -2.789 2.493 9.226 48 2HG PRO 7 2HG PRO 7 -1.318 2.370 10.182 49 1HD PRO 7 1HD PRO 7 -1.695 4.093 7.976 50 2HD PRO 7 2HD PRO 7 -0.132 3.669 8.695 51 H CYS 8 H CYS 8 -0.870 0.249 4.831 52 HA CYS 8 HA CYS 8 -3.723 0.335 4.073 53 1HB CYS 8 1HB CYS 8 -2.788 -0.071 1.795 54 2HB CYS 8 2HB CYS 8 -2.238 1.367 2.540 55 H ARG 9 H ARG 9 -3.860 -1.423 2.140 56 HA ARG 9 HA ARG 9 -3.270 -4.148 3.121 57 1HB ARG 9 1HB ARG 9 -6.041 -3.151 2.260 58 2HB ARG 9 2HB ARG 9 -5.651 -4.804 2.703 59 1HG ARG 9 1HG ARG 9 -5.105 -4.056 5.018 60 2HG ARG 9 2HG ARG 9 -5.491 -2.401 4.579 61 1HD ARG 9 1HD ARG 9 -7.447 -4.739 4.480 62 2HD ARG 9 2HD ARG 9 -7.435 -3.485 5.710 63 HE ARG 9 HE ARG 9 -8.481 -3.243 3.004 64 1HH1 ARG 9 1HH1 ARG 9 -7.105 -1.524 5.686 65 2HH1 ARG 9 2HH1 ARG 9 -7.822 -0.017 5.225 66 1HH2 ARG 9 1HH2 ARG 9 -9.398 -1.348 2.416 67 2HH2 ARG 9 2HH2 ARG 9 -9.136 0.086 3.353 68 H LYS 10 H LYS 10 -2.283 -4.980 1.630 69 HA LYS 10 HA LYS 10 -1.857 -4.205 -1.066 70 1HB LYS 10 1HB LYS 10 -1.842 -7.054 -0.014 71 2HB LYS 10 2HB LYS 10 -0.912 -6.393 -1.352 72 1HG LYS 10 1HG LYS 10 0.523 -5.206 0.039 73 2HG LYS 10 2HG LYS 10 -0.547 -5.210 1.422 74 1HD LYS 10 1HD LYS 10 1.059 -6.779 1.936 75 2HD LYS 10 2HD LYS 10 -0.341 -7.687 1.472 76 1HE LYS 10 1HE LYS 10 1.932 -7.191 -0.452 77 2HE LYS 10 2HE LYS 10 1.750 -8.661 0.502 78 1HZ LYS 10 1HZ LYS 10 -0.636 -8.515 -0.642 79 2HZ LYS 10 2HZ LYS 10 0.308 -7.769 -1.842 80 3HZ LYS 10 3HZ LYS 10 0.680 -9.340 -1.321 81 H THR 11 H THR 11 -3.814 -6.428 0.492 82 HA THR 11 HA THR 11 -5.278 -7.980 -1.088 83 HB THR 11 HB THR 11 -6.438 -6.170 1.098 84 HG1 THR 11 HG1 THR 11 -5.150 -7.363 2.232 85 1HG2 THR 11 1HG2 THR 11 -7.260 -9.006 0.186 86 2HG2 THR 11 2HG2 THR 11 -8.011 -8.083 1.480 87 3HG2 THR 11 3HG2 THR 11 -8.208 -7.576 -0.187 88 H MET 12 H MET 12 -5.671 -4.577 -0.937 89 HA MET 12 HA MET 12 -7.205 -4.551 -3.467 90 1HB MET 12 1HB MET 12 -9.023 -3.126 -2.480 91 2HB MET 12 2HB MET 12 -8.974 -4.719 -1.749 92 1HG MET 12 1HG MET 12 -7.684 -3.841 0.156 93 2HG MET 12 2HG MET 12 -7.630 -2.259 -0.562 94 1HE MET 12 1HE MET 12 -9.844 -0.856 -1.070 95 2HE MET 12 2HE MET 12 -10.668 -0.505 0.438 96 3HE MET 12 3HE MET 12 -8.915 -0.433 0.388 97 H TYR 13 H TYR 13 -4.717 -3.406 -1.868 98 HA TYR 13 HA TYR 13 -3.375 -1.502 -1.941 99 1HB TYR 13 1HB TYR 13 -4.897 -1.170 -4.586 100 2HB TYR 13 2HB TYR 13 -3.394 -0.352 -4.187 101 HD1 TYR 13 HD1 TYR 13 -1.411 -1.917 -3.425 102 HD2 TYR 13 HD2 TYR 13 -4.792 -3.298 -5.619 103 HE1 TYR 13 HE1 TYR 13 -0.146 -3.882 -4.139 104 HE2 TYR 13 HE2 TYR 13 -3.524 -5.263 -6.331 105 HH TYR 13 HH TYR 13 -0.292 -5.511 -6.212 106 H ASP 14 H ASP 14 -4.600 -0.929 -0.183 107 HA ASP 14 HA ASP 14 -6.788 0.973 -0.276 108 1HB ASP 14 1HB ASP 14 -6.690 -0.758 1.395 109 2HB ASP 14 2HB ASP 14 -5.117 -0.300 1.928 110 H CYS 15 H CYS 15 -3.924 1.532 -1.229 111 HA CYS 15 HA CYS 15 -3.354 4.012 0.327 112 1HB CYS 15 1HB CYS 15 -1.696 2.670 -1.776 113 2HB CYS 15 2HB CYS 15 -1.220 4.007 -0.747 114 H CYS 16 H CYS 16 -2.957 5.964 -0.649 115 HA CYS 16 HA CYS 16 -4.720 6.717 -2.774 116 1HB CYS 16 1HB CYS 16 -2.312 8.149 -1.605 117 2HB CYS 16 2HB CYS 16 -3.574 8.907 -2.527 118 H SER 17 H SER 17 -1.473 5.729 -2.466 119 HA SER 17 HA SER 17 -0.583 6.367 -5.177 120 1HB SER 17 1HB SER 17 0.978 6.359 -3.176 121 2HB SER 17 2HB SER 17 0.709 4.622 -3.023 122 HG SER 17 HG SER 17 1.431 4.359 -5.149 123 H GLY 18 H GLY 18 -1.970 3.757 -3.401 124 1HA GLY 18 1HA GLY 18 -2.945 1.766 -4.092 125 2HA GLY 18 2HA GLY 18 -2.649 2.241 -5.764 126 H SER 19 H SER 19 0.130 2.403 -3.925 127 HA SER 19 HA SER 19 1.132 -0.216 -4.958 128 1HB SER 19 1HB SER 19 3.395 0.931 -4.879 129 2HB SER 19 2HB SER 19 2.256 1.841 -5.881 130 HG SER 19 HG SER 19 3.013 2.304 -3.203 131 H CYS 20 H CYS 20 -0.309 -0.502 -2.777 132 HA CYS 20 HA CYS 20 1.035 -0.116 -0.286 133 1HB CYS 20 1HB CYS 20 -1.360 -0.472 -0.425 134 2HB CYS 20 2HB CYS 20 -1.156 -2.076 -1.036 135 H GLY 21 H GLY 21 2.806 -0.936 0.289 136 1HA GLY 21 1HA GLY 21 4.244 -3.093 -0.792 137 2HA GLY 21 2HA GLY 21 4.576 -2.329 0.747 138 H ARG 22 H ARG 22 5.177 -4.788 0.448 139 HA ARG 22 HA ARG 22 3.297 -6.831 1.164 140 1HB ARG 22 1HB ARG 22 5.572 -7.047 0.017 141 2HB ARG 22 2HB ARG 22 6.319 -6.739 1.560 142 1HG ARG 22 1HG ARG 22 4.566 -9.129 0.918 143 2HG ARG 22 2HG ARG 22 6.309 -9.143 0.928 144 1HD ARG 22 1HD ARG 22 6.283 -8.638 3.393 145 2HD ARG 22 2HD ARG 22 4.529 -8.771 3.374 146 HE ARG 22 HE ARG 22 6.377 -10.977 3.220 147 1HH1 ARG 22 1HH1 ARG 22 3.218 -9.832 2.359 148 2HH1 ARG 22 2HH1 ARG 22 2.546 -11.425 2.265 149 1HH2 ARG 22 1HH2 ARG 22 5.546 -12.997 3.105 150 2HH2 ARG 22 2HH2 ARG 22 3.881 -13.243 2.693 151 H ARG 23 H ARG 23 5.254 -4.583 2.938 152 HA ARG 23 HA ARG 23 4.817 -5.800 5.551 153 1HB ARG 23 1HB ARG 23 5.912 -3.705 6.391 154 2HB ARG 23 2HB ARG 23 6.848 -4.514 5.156 155 1HG ARG 23 1HG ARG 23 6.049 -2.941 3.431 156 2HG ARG 23 2HG ARG 23 4.974 -2.168 4.577 157 1HD ARG 23 1HD ARG 23 8.020 -2.250 4.821 158 2HD ARG 23 2HD ARG 23 7.080 -0.868 4.257 159 HE ARG 23 HE ARG 23 6.106 -1.754 6.809 160 1HH1 ARG 23 1HH1 ARG 23 8.733 -0.068 5.305 161 2HH1 ARG 23 2HH1 ARG 23 9.068 0.887 6.708 162 1HH2 ARG 23 1HH2 ARG 23 6.507 -0.565 8.588 163 2HH2 ARG 23 2HH2 ARG 23 7.788 0.599 8.606 164 H GLY 24 H GLY 24 2.588 -4.613 3.684 165 1HA GLY 24 1HA GLY 24 0.432 -3.848 4.078 166 2HA GLY 24 2HA GLY 24 0.763 -3.942 5.802 167 H LYS 25 H LYS 25 3.012 -2.050 4.095 168 HA LYS 25 HA LYS 25 1.646 0.468 5.022 169 1HB LYS 25 1HB LYS 25 4.595 0.100 4.371 170 2HB LYS 25 2HB LYS 25 3.856 1.500 5.098 171 1HG LYS 25 1HG LYS 25 4.032 -1.223 6.424 172 2HG LYS 25 2HG LYS 25 5.006 0.185 6.800 173 1HD LYS 25 1HD LYS 25 3.078 1.446 7.555 174 2HD LYS 25 2HD LYS 25 1.989 0.149 7.116 175 1HE LYS 25 1HE LYS 25 4.233 -0.035 9.179 176 2HE LYS 25 2HE LYS 25 2.518 0.071 9.548 177 1HZ LYS 25 1HZ LYS 25 2.453 -2.002 7.958 178 2HZ LYS 25 2HZ LYS 25 4.057 -2.165 8.487 179 3HZ LYS 25 3HZ LYS 25 2.788 -2.153 9.618 180 H CYS 26 H CYS 26 1.949 2.302 3.603 181 HA CYS 26 HA CYS 26 1.512 1.526 0.822 182 1HB CYS 26 1HB CYS 26 1.515 4.166 2.203 183 2HB CYS 26 2HB CYS 26 1.091 3.966 0.519 184 1HN NH2 27 1HT NH2 27 2.531 2.457 -1.044 185 2HN NH2 27 2HT NH2 27 4.170 2.877 -1.025 Start of MODEL 6 1 1H CYS 1 1H CYS 1 -8.782 6.568 1.958 2 2H CYS 1 2H CYS 1 -8.220 7.899 1.065 3 3H CYS 1 3H CYS 1 -9.116 6.678 0.295 4 HA CYS 1 HA CYS 1 -7.362 5.084 0.717 5 1HB CYS 1 1HB CYS 1 -5.724 6.018 -0.833 6 2HB CYS 1 2HB CYS 1 -7.336 6.365 -1.380 7 H LYS 2 H LYS 2 -4.985 4.955 1.082 8 HA LYS 2 HA LYS 2 -4.245 6.461 3.562 9 1HB LYS 2 1HB LYS 2 -3.412 3.682 2.651 10 2HB LYS 2 2HB LYS 2 -2.893 4.435 4.135 11 1HG LYS 2 1HG LYS 2 -5.759 3.687 3.405 12 2HG LYS 2 2HG LYS 2 -4.735 2.868 4.562 13 1HD LYS 2 1HD LYS 2 -5.797 5.714 4.846 14 2HD LYS 2 2HD LYS 2 -6.362 4.305 5.711 15 1HE LYS 2 1HE LYS 2 -4.120 4.035 6.773 16 2HE LYS 2 2HE LYS 2 -3.565 5.470 5.917 17 1HZ LYS 2 1HZ LYS 2 -5.825 5.414 7.817 18 2HZ LYS 2 2HZ LYS 2 -4.254 5.959 8.165 19 3HZ LYS 2 3HZ LYS 2 -5.203 6.780 7.022 20 H GLY 3 H GLY 3 -2.698 7.833 3.375 21 1HA GLY 3 1HA GLY 3 -1.096 8.308 1.080 22 2HA GLY 3 2HA GLY 3 -0.764 8.955 2.681 23 H LYS 4 H LYS 4 1.352 8.338 1.099 24 HA LYS 4 HA LYS 4 2.436 5.793 1.074 25 1HB LYS 4 1HB LYS 4 3.870 8.440 1.464 26 2HB LYS 4 2HB LYS 4 4.610 6.914 1.018 27 1HG LYS 4 1HG LYS 4 3.246 6.795 -1.035 28 2HG LYS 4 2HG LYS 4 2.396 8.256 -0.589 29 1HD LYS 4 1HD LYS 4 4.049 8.786 -2.294 30 2HD LYS 4 2HD LYS 4 4.497 9.563 -0.796 31 1HE LYS 4 1HE LYS 4 5.734 6.968 -1.813 32 2HE LYS 4 2HE LYS 4 6.455 8.556 -1.995 33 1HZ LYS 4 1HZ LYS 4 5.959 8.438 0.646 34 2HZ LYS 4 2HZ LYS 4 6.382 6.831 0.286 35 3HZ LYS 4 3HZ LYS 4 7.448 8.096 -0.096 36 H GLY 5 H GLY 5 3.411 4.476 2.381 37 1HA GLY 5 1HA GLY 5 4.386 3.515 4.254 38 2HA GLY 5 2HA GLY 5 4.687 5.122 4.881 39 H ALA 6 H ALA 6 1.430 4.806 4.202 40 HA ALA 6 HA ALA 6 0.781 4.607 7.066 41 1HB ALA 6 1HB ALA 6 -0.311 6.319 5.664 42 2HB ALA 6 2HB ALA 6 -0.988 5.059 4.644 43 3HB ALA 6 3HB ALA 6 -1.508 5.212 6.311 44 HA PRO 7 HA PRO 7 -0.159 0.372 7.116 45 1HB PRO 7 1HB PRO 7 -2.268 0.234 8.944 46 2HB PRO 7 2HB PRO 7 -0.567 0.404 9.346 47 1HG PRO 7 1HG PRO 7 -2.704 2.460 9.388 48 2HG PRO 7 2HG PRO 7 -1.214 2.385 10.317 49 1HD PRO 7 1HD PRO 7 -1.667 4.033 8.068 50 2HD PRO 7 2HD PRO 7 -0.083 3.670 8.775 51 H CYS 8 H CYS 8 -0.804 0.242 4.982 52 HA CYS 8 HA CYS 8 -3.694 0.115 4.352 53 1HB CYS 8 1HB CYS 8 -2.827 -0.092 2.010 54 2HB CYS 8 2HB CYS 8 -2.543 1.428 2.763 55 H ARG 9 H ARG 9 -4.498 -1.409 3.034 56 HA ARG 9 HA ARG 9 -3.431 -4.162 3.334 57 1HB ARG 9 1HB ARG 9 -5.866 -4.769 3.158 58 2HB ARG 9 2HB ARG 9 -5.473 -3.714 4.503 59 1HG ARG 9 1HG ARG 9 -6.274 -1.761 3.192 60 2HG ARG 9 2HG ARG 9 -6.730 -2.792 1.859 61 1HD ARG 9 1HD ARG 9 -8.718 -2.306 3.151 62 2HD ARG 9 2HD ARG 9 -8.306 -3.966 3.568 63 HE ARG 9 HE ARG 9 -7.981 -1.578 5.274 64 1HH1 ARG 9 1HH1 ARG 9 -7.306 -4.943 4.807 65 2HH1 ARG 9 2HH1 ARG 9 -6.906 -5.203 6.471 66 1HH2 ARG 9 1HH2 ARG 9 -7.484 -1.861 7.338 67 2HH2 ARG 9 2HH2 ARG 9 -7.007 -3.415 7.942 68 H LYS 10 H LYS 10 -2.225 -4.376 1.611 69 HA LYS 10 HA LYS 10 -2.617 -3.306 -1.002 70 1HB LYS 10 1HB LYS 10 -0.845 -4.835 -1.711 71 2HB LYS 10 2HB LYS 10 -0.448 -4.208 -0.131 72 1HG LYS 10 1HG LYS 10 -1.586 -6.973 -0.649 73 2HG LYS 10 2HG LYS 10 0.089 -6.603 -0.325 74 1HD LYS 10 1HD LYS 10 -0.610 -5.690 1.946 75 2HD LYS 10 2HD LYS 10 -2.244 -6.250 1.605 76 1HE LYS 10 1HE LYS 10 -1.069 -7.930 2.937 77 2HE LYS 10 2HE LYS 10 -1.459 -8.566 1.346 78 1HZ LYS 10 1HZ LYS 10 1.139 -7.273 1.794 79 2HZ LYS 10 2HZ LYS 10 0.892 -8.870 2.320 80 3HZ LYS 10 3HZ LYS 10 0.710 -8.478 0.677 81 H THR 11 H THR 11 -4.179 -5.727 0.620 82 HA THR 11 HA THR 11 -4.926 -7.717 -1.141 83 HB THR 11 HB THR 11 -6.576 -6.241 0.984 84 HG1 THR 11 HG1 THR 11 -4.886 -8.513 0.925 85 1HG2 THR 11 1HG2 THR 11 -6.844 -9.131 -0.074 86 2HG2 THR 11 2HG2 THR 11 -7.834 -8.400 1.179 87 3HG2 THR 11 3HG2 THR 11 -7.988 -7.864 -0.486 88 H MET 12 H MET 12 -6.017 -4.440 -0.955 89 HA MET 12 HA MET 12 -7.281 -4.617 -3.630 90 1HB MET 12 1HB MET 12 -9.285 -3.338 -2.802 91 2HB MET 12 2HB MET 12 -9.128 -4.913 -2.059 92 1HG MET 12 1HG MET 12 -8.191 -2.373 -0.739 93 2HG MET 12 2HG MET 12 -9.742 -3.104 -0.452 94 1HE MET 12 1HE MET 12 -9.825 -5.807 0.147 95 2HE MET 12 2HE MET 12 -9.174 -6.043 1.755 96 3HE MET 12 3HE MET 12 -10.224 -4.668 1.455 97 H TYR 13 H TYR 13 -4.913 -3.431 -2.125 98 HA TYR 13 HA TYR 13 -3.627 -1.500 -2.114 99 1HB TYR 13 1HB TYR 13 -5.186 -1.094 -4.727 100 2HB TYR 13 2HB TYR 13 -3.697 -0.255 -4.308 101 HD1 TYR 13 HD1 TYR 13 -1.588 -1.588 -3.941 102 HD2 TYR 13 HD2 TYR 13 -5.132 -3.399 -5.461 103 HE1 TYR 13 HE1 TYR 13 -0.280 -3.511 -4.703 104 HE2 TYR 13 HE2 TYR 13 -3.820 -5.321 -6.221 105 HH TYR 13 HH TYR 13 -0.565 -5.312 -6.561 106 H ASP 14 H ASP 14 -4.839 -1.000 -0.303 107 HA ASP 14 HA ASP 14 -6.973 0.974 -0.321 108 1HB ASP 14 1HB ASP 14 -6.891 -0.738 1.307 109 2HB ASP 14 2HB ASP 14 -5.277 -0.369 1.802 110 H CYS 15 H CYS 15 -4.018 1.467 -1.224 111 HA CYS 15 HA CYS 15 -3.474 3.939 0.344 112 1HB CYS 15 1HB CYS 15 -1.788 2.546 -1.703 113 2HB CYS 15 2HB CYS 15 -1.303 3.936 -0.765 114 H CYS 16 H CYS 16 -2.935 5.877 -0.602 115 HA CYS 16 HA CYS 16 -4.608 6.708 -2.794 116 1HB CYS 16 1HB CYS 16 -2.260 8.119 -1.466 117 2HB CYS 16 2HB CYS 16 -3.512 8.876 -2.409 118 H SER 17 H SER 17 -1.361 5.739 -2.252 119 HA SER 17 HA SER 17 -0.253 6.437 -4.845 120 1HB SER 17 1HB SER 17 1.150 6.233 -2.748 121 2HB SER 17 2HB SER 17 0.787 4.503 -2.701 122 HG SER 17 HG SER 17 1.642 4.349 -4.817 123 H GLY 18 H GLY 18 -2.035 3.856 -3.460 124 1HA GLY 18 1HA GLY 18 -2.984 1.939 -4.345 125 2HA GLY 18 2HA GLY 18 -2.578 2.555 -5.945 126 H SER 19 H SER 19 -0.053 2.178 -3.676 127 HA SER 19 HA SER 19 0.775 -0.471 -4.761 128 1HB SER 19 1HB SER 19 3.114 0.482 -5.092 129 2HB SER 19 2HB SER 19 1.934 1.312 -6.116 130 HG SER 19 HG SER 19 1.696 2.826 -4.358 131 H CYS 20 H CYS 20 -0.191 -0.901 -2.637 132 HA CYS 20 HA CYS 20 1.337 -0.119 -0.265 133 1HB CYS 20 1HB CYS 20 -1.094 -0.374 -0.191 134 2HB CYS 20 2HB CYS 20 -0.993 -2.035 -0.619 135 H GLY 21 H GLY 21 3.139 -1.025 0.219 136 1HA GLY 21 1HA GLY 21 4.344 -3.289 -0.916 137 2HA GLY 21 2HA GLY 21 4.854 -2.517 0.565 138 H ARG 22 H ARG 22 5.403 -4.917 0.465 139 HA ARG 22 HA ARG 22 3.526 -6.925 1.280 140 1HB ARG 22 1HB ARG 22 6.546 -6.760 1.565 141 2HB ARG 22 2HB ARG 22 5.636 -8.168 2.033 142 1HG ARG 22 1HG ARG 22 6.696 -8.490 -0.144 143 2HG ARG 22 2HG ARG 22 4.961 -8.576 -0.277 144 1HD ARG 22 1HD ARG 22 6.538 -6.079 -0.998 145 2HD ARG 22 2HD ARG 22 6.122 -7.338 -2.157 146 HE ARG 22 HE ARG 22 3.780 -6.443 -0.735 147 1HH1 ARG 22 1HH1 ARG 22 4.870 -4.622 -4.093 148 2HH1 ARG 22 2HH1 ARG 22 6.021 -5.594 -3.239 149 1HH2 ARG 22 1HH2 ARG 22 2.313 -5.218 -1.796 150 2HH2 ARG 22 2HH2 ARG 22 2.739 -4.403 -3.264 151 H ARG 23 H ARG 23 5.388 -4.577 2.997 152 HA ARG 23 HA ARG 23 5.011 -5.767 5.637 153 1HB ARG 23 1HB ARG 23 6.047 -3.652 6.445 154 2HB ARG 23 2HB ARG 23 6.992 -4.393 5.170 155 1HG ARG 23 1HG ARG 23 6.037 -2.846 3.491 156 2HG ARG 23 2HG ARG 23 4.999 -2.127 4.703 157 1HD ARG 23 1HD ARG 23 8.052 -2.098 4.769 158 2HD ARG 23 2HD ARG 23 7.027 -0.742 4.303 159 HE ARG 23 HE ARG 23 6.252 -1.689 6.896 160 1HH1 ARG 23 1HH1 ARG 23 8.766 0.033 5.249 161 2HH1 ARG 23 2HH1 ARG 23 9.204 0.955 6.647 162 1HH2 ARG 23 1HH2 ARG 23 6.789 -0.538 8.677 163 2HH2 ARG 23 2HH2 ARG 23 8.070 0.627 8.618 164 H GLY 24 H GLY 24 2.800 -4.594 3.679 165 1HA GLY 24 1HA GLY 24 0.609 -3.901 4.029 166 2HA GLY 24 2HA GLY 24 0.896 -4.002 5.761 167 H LYS 25 H LYS 25 3.051 -2.043 3.905 168 HA LYS 25 HA LYS 25 1.661 0.426 4.927 169 1HB LYS 25 1HB LYS 25 4.622 0.150 4.281 170 2HB LYS 25 2HB LYS 25 3.831 1.528 4.985 171 1HG LYS 25 1HG LYS 25 4.024 -1.162 6.385 172 2HG LYS 25 2HG LYS 25 5.017 0.242 6.717 173 1HD LYS 25 1HD LYS 25 3.031 1.546 7.380 174 2HD LYS 25 2HD LYS 25 1.988 0.188 7.015 175 1HE LYS 25 1HE LYS 25 2.472 0.284 9.439 176 2HE LYS 25 2HE LYS 25 3.156 -1.177 8.740 177 1HZ LYS 25 1HZ LYS 25 4.813 1.235 8.871 178 2HZ LYS 25 2HZ LYS 25 4.557 0.336 10.289 179 3HZ LYS 25 3HZ LYS 25 5.268 -0.399 8.933 180 H CYS 26 H CYS 26 1.882 2.269 3.588 181 HA CYS 26 HA CYS 26 1.425 1.610 0.786 182 1HB CYS 26 1HB CYS 26 1.408 4.203 2.271 183 2HB CYS 26 2HB CYS 26 0.946 4.040 0.595 184 1HN NH2 27 1HT NH2 27 2.381 2.840 -1.026 185 2HN NH2 27 2HT NH2 27 4.036 3.197 -1.003 Start of MODEL 7 1 1H CYS 1 1H CYS 1 -8.193 7.574 1.395 2 2H CYS 1 2H CYS 1 -9.059 6.421 0.496 3 3H CYS 1 3H CYS 1 -8.760 6.161 2.149 4 HA CYS 1 HA CYS 1 -7.293 4.810 0.824 5 1HB CYS 1 1HB CYS 1 -5.651 5.886 -0.632 6 2HB CYS 1 2HB CYS 1 -7.263 6.241 -1.166 7 H LYS 2 H LYS 2 -4.800 4.919 1.050 8 HA LYS 2 HA LYS 2 -4.109 6.158 3.686 9 1HB LYS 2 1HB LYS 2 -3.271 3.457 2.554 10 2HB LYS 2 2HB LYS 2 -2.696 4.096 4.070 11 1HG LYS 2 1HG LYS 2 -5.598 3.419 3.379 12 2HG LYS 2 2HG LYS 2 -4.543 2.467 4.396 13 1HD LYS 2 1HD LYS 2 -5.536 5.287 5.029 14 2HD LYS 2 2HD LYS 2 -6.127 3.805 5.742 15 1HE LYS 2 1HE LYS 2 -3.877 3.353 6.712 16 2HE LYS 2 2HE LYS 2 -3.283 4.841 5.990 17 1HZ LYS 2 1HZ LYS 2 -5.397 5.753 7.288 18 2HZ LYS 2 2HZ LYS 2 -4.959 4.464 8.303 19 3HZ LYS 2 3HZ LYS 2 -3.833 5.685 7.947 20 H GLY 3 H GLY 3 -2.671 7.658 3.440 21 1HA GLY 3 1HA GLY 3 -1.152 8.311 1.172 22 2HA GLY 3 2HA GLY 3 -0.738 8.818 2.805 23 H LYS 4 H LYS 4 1.298 8.387 1.070 24 HA LYS 4 HA LYS 4 2.389 5.814 0.827 25 1HB LYS 4 1HB LYS 4 3.276 7.836 -0.290 26 2HB LYS 4 2HB LYS 4 3.854 8.448 1.248 27 1HG LYS 4 1HG LYS 4 5.378 6.493 1.476 28 2HG LYS 4 2HG LYS 4 4.768 5.834 -0.033 29 1HD LYS 4 1HD LYS 4 5.592 7.848 -1.244 30 2HD LYS 4 2HD LYS 4 6.180 8.524 0.265 31 1HE LYS 4 1HE LYS 4 7.717 6.588 0.537 32 2HE LYS 4 2HE LYS 4 7.122 5.897 -0.969 33 1HZ LYS 4 1HZ LYS 4 7.796 8.143 -1.956 34 2HZ LYS 4 2HZ LYS 4 8.737 8.316 -0.554 35 3HZ LYS 4 3HZ LYS 4 9.007 7.007 -1.602 36 H GLY 5 H GLY 5 3.344 4.432 2.111 37 1HA GLY 5 1HA GLY 5 4.348 3.425 3.955 38 2HA GLY 5 2HA GLY 5 4.753 5.023 4.554 39 H ALA 6 H ALA 6 1.438 4.702 3.954 40 HA ALA 6 HA ALA 6 0.892 4.564 6.864 41 1HB ALA 6 1HB ALA 6 -0.089 6.419 5.546 42 2HB ALA 6 2HB ALA 6 -0.928 5.259 4.527 43 3HB ALA 6 3HB ALA 6 -1.355 5.417 6.215 44 HA PRO 7 HA PRO 7 -0.384 0.450 6.967 45 1HB PRO 7 1HB PRO 7 -2.716 0.586 8.573 46 2HB PRO 7 2HB PRO 7 -1.057 0.412 9.108 47 1HG PRO 7 1HG PRO 7 -2.784 2.786 9.172 48 2HG PRO 7 2HG PRO 7 -1.306 2.468 10.069 49 1HD PRO 7 1HD PRO 7 -1.582 4.215 7.864 50 2HD PRO 7 2HD PRO 7 -0.052 3.665 8.569 51 H CYS 8 H CYS 8 -0.873 0.078 4.834 52 HA CYS 8 HA CYS 8 -3.731 0.084 4.005 53 1HB CYS 8 1HB CYS 8 -2.834 -0.272 1.740 54 2HB CYS 8 2HB CYS 8 -2.356 1.235 2.408 55 H ARG 9 H ARG 9 -4.347 -1.580 2.530 56 HA ARG 9 HA ARG 9 -3.302 -4.295 3.162 57 1HB ARG 9 1HB ARG 9 -5.846 -4.874 2.631 58 2HB ARG 9 2HB ARG 9 -5.445 -4.281 4.227 59 1HG ARG 9 1HG ARG 9 -6.073 -1.961 3.430 60 2HG ARG 9 2HG ARG 9 -6.539 -2.688 1.898 61 1HD ARG 9 1HD ARG 9 -8.331 -3.941 2.972 62 2HD ARG 9 2HD ARG 9 -7.716 -3.558 4.580 63 HE ARG 9 HE ARG 9 -8.798 -1.498 4.436 64 1HH1 ARG 9 1HH1 ARG 9 -8.330 -2.799 1.276 65 2HH1 ARG 9 2HH1 ARG 9 -9.175 -1.510 0.490 66 1HH2 ARG 9 1HH2 ARG 9 -9.866 0.141 3.490 67 2HH2 ARG 9 2HH2 ARG 9 -10.068 0.188 1.768 68 H LYS 10 H LYS 10 -2.368 -5.001 1.538 69 HA LYS 10 HA LYS 10 -2.202 -3.992 -1.115 70 1HB LYS 10 1HB LYS 10 -1.762 -6.948 -0.396 71 2HB LYS 10 2HB LYS 10 -1.089 -6.073 -1.727 72 1HG LYS 10 1HG LYS 10 0.665 -6.405 -0.124 73 2HG LYS 10 2HG LYS 10 0.290 -4.707 -0.223 74 1HD LYS 10 1HD LYS 10 0.747 -5.459 2.072 75 2HD LYS 10 2HD LYS 10 -0.805 -4.733 1.987 76 1HE LYS 10 1HE LYS 10 -0.080 -7.720 2.068 77 2HE LYS 10 2HE LYS 10 -0.771 -6.799 3.387 78 1HZ LYS 10 1HZ LYS 10 -2.581 -6.476 1.403 79 2HZ LYS 10 2HZ LYS 10 -2.056 -8.071 1.182 80 3HZ LYS 10 3HZ LYS 10 -2.688 -7.583 2.679 81 H THR 11 H THR 11 -3.978 -6.334 0.486 82 HA THR 11 HA THR 11 -5.404 -7.909 -1.149 83 HB THR 11 HB THR 11 -6.538 -6.269 1.169 84 HG1 THR 11 HG1 THR 11 -4.919 -8.550 0.824 85 1HG2 THR 11 1HG2 THR 11 -7.274 -9.089 0.136 86 2HG2 THR 11 2HG2 THR 11 -8.013 -8.276 1.507 87 3HG2 THR 11 3HG2 THR 11 -8.293 -7.683 -0.118 88 H MET 12 H MET 12 -6.075 -4.511 -0.686 89 HA MET 12 HA MET 12 -7.853 -4.540 -3.093 90 1HB MET 12 1HB MET 12 -8.341 -2.758 -0.712 91 2HB MET 12 2HB MET 12 -9.450 -3.128 -2.011 92 1HG MET 12 1HG MET 12 -9.507 -5.544 -1.161 93 2HG MET 12 2HG MET 12 -8.544 -5.006 0.165 94 1HE MET 12 1HE MET 12 -11.951 -5.798 -1.000 95 2HE MET 12 2HE MET 12 -13.010 -4.618 -0.254 96 3HE MET 12 3HE MET 12 -11.987 -4.117 -1.589 97 H TYR 13 H TYR 13 -5.093 -3.411 -1.719 98 HA TYR 13 HA TYR 13 -3.630 -1.640 -2.102 99 1HB TYR 13 1HB TYR 13 -5.339 -1.433 -4.649 100 2HB TYR 13 2HB TYR 13 -3.775 -0.648 -4.440 101 HD1 TYR 13 HD1 TYR 13 -1.780 -2.188 -3.795 102 HD2 TYR 13 HD2 TYR 13 -5.434 -3.683 -5.399 103 HE1 TYR 13 HE1 TYR 13 -0.655 -4.267 -4.422 104 HE2 TYR 13 HE2 TYR 13 -4.304 -5.761 -6.026 105 HH TYR 13 HH TYR 13 -1.869 -6.439 -6.567 106 H ASP 14 H ASP 14 -4.835 -1.016 -0.313 107 HA ASP 14 HA ASP 14 -6.891 1.026 -0.395 108 1HB ASP 14 1HB ASP 14 -6.860 -0.715 1.231 109 2HB ASP 14 2HB ASP 14 -5.278 -0.345 1.785 110 H CYS 15 H CYS 15 -3.934 1.405 -1.293 111 HA CYS 15 HA CYS 15 -3.251 3.804 0.312 112 1HB CYS 15 1HB CYS 15 -1.746 2.445 -1.886 113 2HB CYS 15 2HB CYS 15 -1.145 3.782 -0.936 114 H CYS 16 H CYS 16 -2.903 5.806 -0.451 115 HA CYS 16 HA CYS 16 -4.589 6.767 -2.566 116 1HB CYS 16 1HB CYS 16 -2.247 8.118 -1.170 117 2HB CYS 16 2HB CYS 16 -3.535 8.919 -2.027 118 H SER 17 H SER 17 -1.311 5.853 -2.128 119 HA SER 17 HA SER 17 -0.304 6.721 -4.726 120 1HB SER 17 1HB SER 17 1.178 6.574 -2.672 121 2HB SER 17 2HB SER 17 0.932 4.824 -2.651 122 HG SER 17 HG SER 17 1.733 4.754 -4.783 123 H GLY 18 H GLY 18 -1.819 3.981 -3.298 124 1HA GLY 18 1HA GLY 18 -2.822 2.126 -4.309 125 2HA GLY 18 2HA GLY 18 -2.190 2.650 -5.862 126 H SER 19 H SER 19 0.530 2.737 -4.302 127 HA SER 19 HA SER 19 1.277 -0.044 -4.973 128 1HB SER 19 1HB SER 19 3.630 0.914 -4.792 129 2HB SER 19 2HB SER 19 2.630 1.835 -5.923 130 HG SER 19 HG SER 19 2.207 3.316 -4.330 131 H CYS 20 H CYS 20 -0.088 -0.609 -2.985 132 HA CYS 20 HA CYS 20 1.069 -0.058 -0.387 133 1HB CYS 20 1HB CYS 20 -1.311 -0.526 -0.606 134 2HB CYS 20 2HB CYS 20 -1.015 -2.113 -1.204 135 H GLY 21 H GLY 21 2.865 -0.810 0.258 136 1HA GLY 21 1HA GLY 21 4.339 -3.012 -0.789 137 2HA GLY 21 2HA GLY 21 4.698 -2.154 0.703 138 H ARG 22 H ARG 22 5.164 -4.751 0.483 139 HA ARG 22 HA ARG 22 3.084 -6.506 1.465 140 1HB ARG 22 1HB ARG 22 6.110 -6.859 1.456 141 2HB ARG 22 2HB ARG 22 4.975 -8.117 1.868 142 1HG ARG 22 1HG ARG 22 5.709 -8.445 -0.422 143 2HG ARG 22 2HG ARG 22 4.015 -8.033 -0.412 144 1HD ARG 22 1HD ARG 22 5.303 -6.864 -2.229 145 2HD ARG 22 2HD ARG 22 4.484 -5.738 -1.175 146 HE ARG 22 HE ARG 22 6.591 -4.955 -0.489 147 1HH1 ARG 22 1HH1 ARG 22 6.919 -8.093 -1.934 148 2HH1 ARG 22 2HH1 ARG 22 8.649 -8.057 -1.870 149 1HH2 ARG 22 1HH2 ARG 22 8.772 -4.896 -0.413 150 2HH2 ARG 22 2HH2 ARG 22 9.712 -6.228 -1.004 151 H ARG 23 H ARG 23 5.042 -4.209 2.941 152 HA ARG 23 HA ARG 23 5.195 -5.437 5.584 153 1HB ARG 23 1HB ARG 23 6.914 -3.831 4.746 154 2HB ARG 23 2HB ARG 23 5.695 -2.592 4.579 155 1HG ARG 23 1HG ARG 23 7.082 -2.259 6.598 156 2HG ARG 23 2HG ARG 23 5.405 -2.472 7.029 157 1HD ARG 23 1HD ARG 23 5.865 -4.858 7.600 158 2HD ARG 23 2HD ARG 23 7.549 -4.636 7.125 159 HE ARG 23 HE ARG 23 7.129 -2.635 8.981 160 1HH1 ARG 23 1HH1 ARG 23 6.637 -6.071 8.955 161 2HH1 ARG 23 2HH1 ARG 23 6.890 -6.228 10.660 162 1HH2 ARG 23 1HH2 ARG 23 7.456 -2.818 11.135 163 2HH2 ARG 23 2HH2 ARG 23 7.362 -4.362 11.913 164 H GLY 24 H GLY 24 2.706 -4.333 3.819 165 1HA GLY 24 1HA GLY 24 0.473 -3.957 4.440 166 2HA GLY 24 2HA GLY 24 0.964 -3.970 6.141 167 H LYS 25 H LYS 25 2.944 -2.070 4.194 168 HA LYS 25 HA LYS 25 1.526 0.451 5.001 169 1HB LYS 25 1HB LYS 25 4.510 0.025 4.578 170 2HB LYS 25 2HB LYS 25 3.759 1.513 5.080 171 1HG LYS 25 1HG LYS 25 3.665 -1.044 6.727 172 2HG LYS 25 2HG LYS 25 4.758 0.296 7.022 173 1HD LYS 25 1HD LYS 25 2.809 1.811 7.380 174 2HD LYS 25 2HD LYS 25 1.710 0.486 7.076 175 1HE LYS 25 1HE LYS 25 2.631 -0.734 9.035 176 2HE LYS 25 2HE LYS 25 3.734 0.605 9.339 177 1HZ LYS 25 1HZ LYS 25 0.850 1.110 9.115 178 2HZ LYS 25 2HZ LYS 25 1.496 0.499 10.565 179 3HZ LYS 25 3HZ LYS 25 2.039 1.988 9.952 180 H CYS 26 H CYS 26 1.917 2.210 3.582 181 HA CYS 26 HA CYS 26 1.607 1.387 0.794 182 1HB CYS 26 1HB CYS 26 1.439 4.054 2.129 183 2HB CYS 26 2HB CYS 26 1.065 3.773 0.445 184 1HN NH2 27 1HT NH2 27 2.580 2.743 -0.992 185 2HN NH2 27 2HT NH2 27 4.239 3.068 -0.916 Start of MODEL 8 1 1H CYS 1 1H CYS 1 -8.110 7.670 1.429 2 2H CYS 1 2H CYS 1 -9.026 6.577 0.507 3 3H CYS 1 3H CYS 1 -8.738 6.269 2.154 4 HA CYS 1 HA CYS 1 -7.328 4.878 0.837 5 1HB CYS 1 1HB CYS 1 -5.669 5.902 -0.657 6 2HB CYS 1 2HB CYS 1 -7.287 6.246 -1.177 7 H LYS 2 H LYS 2 -4.789 4.962 0.974 8 HA LYS 2 HA LYS 2 -4.047 6.143 3.621 9 1HB LYS 2 1HB LYS 2 -3.225 3.466 2.416 10 2HB LYS 2 2HB LYS 2 -2.644 4.073 3.945 11 1HG LYS 2 1HG LYS 2 -5.545 3.433 3.300 12 2HG LYS 2 2HG LYS 2 -4.448 2.438 4.237 13 1HD LYS 2 1HD LYS 2 -4.262 4.238 5.943 14 2HD LYS 2 2HD LYS 2 -5.344 5.255 5.006 15 1HE LYS 2 1HE LYS 2 -6.603 4.119 6.792 16 2HE LYS 2 2HE LYS 2 -7.148 3.557 5.219 17 1HZ LYS 2 1HZ LYS 2 -5.010 1.956 6.068 18 2HZ LYS 2 2HZ LYS 2 -6.150 2.051 7.323 19 3HZ LYS 2 3HZ LYS 2 -6.624 1.514 5.781 20 H GLY 3 H GLY 3 -2.631 7.645 3.412 21 1HA GLY 3 1HA GLY 3 -1.077 8.284 1.127 22 2HA GLY 3 2HA GLY 3 -0.738 8.868 2.757 23 H LYS 4 H LYS 4 1.310 8.237 0.939 24 HA LYS 4 HA LYS 4 2.398 5.666 1.011 25 1HB LYS 4 1HB LYS 4 3.299 7.524 -0.334 26 2HB LYS 4 2HB LYS 4 3.917 8.294 1.118 27 1HG LYS 4 1HG LYS 4 5.363 6.305 1.562 28 2HG LYS 4 2HG LYS 4 4.711 5.517 0.135 29 1HD LYS 4 1HD LYS 4 5.638 7.345 -1.288 30 2HD LYS 4 2HD LYS 4 6.269 8.139 0.144 31 1HE LYS 4 1HE LYS 4 8.038 6.798 -0.975 32 2HE LYS 4 2HE LYS 4 7.695 6.144 0.620 33 1HZ LYS 4 1HZ LYS 4 6.384 5.127 -1.827 34 2HZ LYS 4 2HZ LYS 4 7.859 4.510 -1.249 35 3HZ LYS 4 3HZ LYS 4 6.459 4.400 -0.294 36 H GLY 5 H GLY 5 3.134 4.404 2.512 37 1HA GLY 5 1HA GLY 5 4.377 3.686 4.380 38 2HA GLY 5 2HA GLY 5 4.530 5.341 4.925 39 H ALA 6 H ALA 6 1.341 4.714 4.161 40 HA ALA 6 HA ALA 6 0.623 4.467 7.024 41 1HB ALA 6 1HB ALA 6 -1.061 5.122 4.582 42 2HB ALA 6 2HB ALA 6 -1.650 5.159 6.232 43 3HB ALA 6 3HB ALA 6 -0.407 6.285 5.717 44 HA PRO 7 HA PRO 7 -0.385 0.236 6.840 45 1HB PRO 7 1HB PRO 7 -2.668 0.136 8.493 46 2HB PRO 7 2HB PRO 7 -0.992 0.064 8.996 47 1HG PRO 7 1HG PRO 7 -2.894 2.298 9.194 48 2HG PRO 7 2HG PRO 7 -1.395 2.038 10.074 49 1HD PRO 7 1HD PRO 7 -1.794 3.876 7.948 50 2HD PRO 7 2HD PRO 7 -0.234 3.407 8.647 51 H CYS 8 H CYS 8 -0.892 0.080 4.676 52 HA CYS 8 HA CYS 8 -3.725 0.148 3.847 53 1HB CYS 8 1HB CYS 8 -2.763 -0.268 1.596 54 2HB CYS 8 2HB CYS 8 -2.334 1.235 2.303 55 H ARG 9 H ARG 9 -4.681 -1.328 2.738 56 HA ARG 9 HA ARG 9 -4.118 -4.172 3.315 57 1HB ARG 9 1HB ARG 9 -6.527 -2.839 1.979 58 2HB ARG 9 2HB ARG 9 -6.465 -4.485 2.556 59 1HG ARG 9 1HG ARG 9 -6.367 -1.992 4.299 60 2HG ARG 9 2HG ARG 9 -7.779 -2.983 4.028 61 1HD ARG 9 1HD ARG 9 -6.852 -3.621 6.167 62 2HD ARG 9 2HD ARG 9 -6.543 -4.927 5.035 63 HE ARG 9 HE ARG 9 -4.242 -4.536 5.238 64 1HH1 ARG 9 1HH1 ARG 9 -6.050 -1.860 6.505 65 2HH1 ARG 9 2HH1 ARG 9 -4.655 -1.096 7.189 66 1HH2 ARG 9 1HH2 ARG 9 -2.463 -3.578 6.102 67 2HH2 ARG 9 2HH2 ARG 9 -2.598 -2.076 6.956 68 H LYS 10 H LYS 10 -2.663 -4.850 1.837 69 HA LYS 10 HA LYS 10 -2.242 -3.864 -0.818 70 1HB LYS 10 1HB LYS 10 -1.826 -6.807 -0.019 71 2HB LYS 10 2HB LYS 10 -1.072 -5.954 -1.328 72 1HG LYS 10 1HG LYS 10 0.557 -6.229 0.410 73 2HG LYS 10 2HG LYS 10 0.184 -4.537 0.219 74 1HD LYS 10 1HD LYS 10 0.466 -5.180 2.550 75 2HD LYS 10 2HD LYS 10 -1.101 -4.512 2.329 76 1HE LYS 10 1HE LYS 10 -0.329 -7.475 2.571 77 2HE LYS 10 2HE LYS 10 -1.110 -6.521 3.814 78 1HZ LYS 10 1HZ LYS 10 -2.747 -6.347 1.604 79 2HZ LYS 10 2HZ LYS 10 -2.259 -7.967 1.689 80 3HZ LYS 10 3HZ LYS 10 -3.009 -7.235 3.023 81 H THR 11 H THR 11 -4.118 -6.209 0.645 82 HA THR 11 HA THR 11 -5.391 -7.834 -1.071 83 HB THR 11 HB THR 11 -6.704 -6.160 1.128 84 HG1 THR 11 HG1 THR 11 -4.856 -7.268 1.740 85 1HG2 THR 11 1HG2 THR 11 -7.360 -9.005 0.089 86 2HG2 THR 11 2HG2 THR 11 -8.202 -8.172 1.385 87 3HG2 THR 11 3HG2 THR 11 -8.358 -7.607 -0.268 88 H MET 12 H MET 12 -6.435 -4.564 -0.451 89 HA MET 12 HA MET 12 -7.949 -4.500 -3.025 90 1HB MET 12 1HB MET 12 -9.508 -2.909 -1.829 91 2HB MET 12 2HB MET 12 -9.505 -4.532 -1.173 92 1HG MET 12 1HG MET 12 -8.026 -3.872 0.628 93 2HG MET 12 2HG MET 12 -7.827 -2.264 0.012 94 1HE MET 12 1HE MET 12 -9.921 -0.765 -0.436 95 2HE MET 12 2HE MET 12 -10.939 -0.419 0.938 96 3HE MET 12 3HE MET 12 -9.192 -0.242 1.097 97 H TYR 13 H TYR 13 -5.192 -3.432 -1.863 98 HA TYR 13 HA TYR 13 -3.805 -1.578 -2.199 99 1HB TYR 13 1HB TYR 13 -5.628 -1.331 -4.657 100 2HB TYR 13 2HB TYR 13 -4.034 -0.594 -4.509 101 HD1 TYR 13 HD1 TYR 13 -2.026 -2.149 -4.105 102 HD2 TYR 13 HD2 TYR 13 -5.846 -3.616 -5.289 103 HE1 TYR 13 HE1 TYR 13 -1.001 -4.255 -4.811 104 HE2 TYR 13 HE2 TYR 13 -4.818 -5.722 -5.994 105 HH TYR 13 HH TYR 13 -2.509 -6.470 -6.761 106 H ASP 14 H ASP 14 -4.962 -0.958 -0.337 107 HA ASP 14 HA ASP 14 -6.992 1.110 -0.369 108 1HB ASP 14 1HB ASP 14 -6.922 -0.650 1.291 109 2HB ASP 14 2HB ASP 14 -5.309 -0.252 1.725 110 H CYS 15 H CYS 15 -3.979 1.406 -1.302 111 HA CYS 15 HA CYS 15 -3.247 3.832 0.235 112 1HB CYS 15 1HB CYS 15 -1.807 2.415 -1.967 113 2HB CYS 15 2HB CYS 15 -1.172 3.769 -1.069 114 H CYS 16 H CYS 16 -2.948 5.815 -0.554 115 HA CYS 16 HA CYS 16 -4.646 6.734 -2.672 116 1HB CYS 16 1HB CYS 16 -2.277 8.122 -1.355 117 2HB CYS 16 2HB CYS 16 -3.593 8.894 -2.194 118 H SER 17 H SER 17 -1.380 5.795 -2.281 119 HA SER 17 HA SER 17 -0.425 6.594 -4.931 120 1HB SER 17 1HB SER 17 1.079 6.634 -2.901 121 2HB SER 17 2HB SER 17 0.899 4.882 -2.760 122 HG SER 17 HG SER 17 1.792 4.621 -4.760 123 H GLY 18 H GLY 18 -1.835 3.888 -3.353 124 1HA GLY 18 1HA GLY 18 -2.721 1.912 -4.243 125 2HA GLY 18 2HA GLY 18 -2.147 2.399 -5.832 126 H SER 19 H SER 19 0.536 2.742 -4.157 127 HA SER 19 HA SER 19 1.578 0.067 -4.841 128 1HB SER 19 1HB SER 19 3.811 1.226 -4.487 129 2HB SER 19 2HB SER 19 2.793 2.107 -5.636 130 HG SER 19 HG SER 19 2.034 3.341 -3.835 131 H CYS 20 H CYS 20 0.147 -0.673 -2.945 132 HA CYS 20 HA CYS 20 1.232 -0.168 -0.277 133 1HB CYS 20 1HB CYS 20 -1.162 -0.560 -0.613 134 2HB CYS 20 2HB CYS 20 -0.868 -2.159 -1.193 135 H GLY 21 H GLY 21 3.096 -0.948 0.204 136 1HA GLY 21 1HA GLY 21 4.421 -3.198 -0.887 137 2HA GLY 21 2HA GLY 21 4.880 -2.365 0.581 138 H ARG 22 H ARG 22 5.403 -4.826 0.483 139 HA ARG 22 HA ARG 22 3.454 -6.750 1.387 140 1HB ARG 22 1HB ARG 22 6.494 -6.810 1.557 141 2HB ARG 22 2HB ARG 22 5.446 -8.191 1.822 142 1HG ARG 22 1HG ARG 22 4.592 -8.008 -0.503 143 2HG ARG 22 2HG ARG 22 5.626 -6.616 -0.782 144 1HD ARG 22 1HD ARG 22 7.639 -7.989 -0.342 145 2HD ARG 22 2HD ARG 22 6.641 -9.402 -0.027 146 HE ARG 22 HE ARG 22 7.270 -8.257 -2.640 147 1HH1 ARG 22 1HH1 ARG 22 5.041 -10.188 -0.813 148 2HH1 ARG 22 2HH1 ARG 22 4.454 -11.028 -2.208 149 1HH2 ARG 22 1HH2 ARG 22 6.535 -9.312 -4.417 150 2HH2 ARG 22 2HH2 ARG 22 5.309 -10.526 -4.271 151 H ARG 23 H ARG 23 5.402 -4.428 2.939 152 HA ARG 23 HA ARG 23 5.289 -5.603 5.613 153 1HB ARG 23 1HB ARG 23 6.382 -3.559 6.355 154 2HB ARG 23 2HB ARG 23 7.138 -4.057 4.864 155 1HG ARG 23 1HG ARG 23 5.091 -1.820 5.158 156 2HG ARG 23 2HG ARG 23 6.806 -1.613 4.914 157 1HD ARG 23 1HD ARG 23 6.562 -2.742 2.643 158 2HD ARG 23 2HD ARG 23 4.821 -2.765 2.929 159 HE ARG 23 HE ARG 23 4.699 -0.494 2.530 160 1HH1 ARG 23 1HH1 ARG 23 8.001 -1.452 2.970 161 2HH1 ARG 23 2HH1 ARG 23 8.626 0.081 2.465 162 1HH2 ARG 23 1HH2 ARG 23 5.458 1.435 1.902 163 2HH2 ARG 23 2HH2 ARG 23 7.160 1.752 1.851 164 H GLY 24 H GLY 24 2.937 -4.439 3.731 165 1HA GLY 24 1HA GLY 24 0.714 -3.941 4.265 166 2HA GLY 24 2HA GLY 24 1.151 -3.903 5.965 167 H LYS 25 H LYS 25 3.171 -1.944 4.042 168 HA LYS 25 HA LYS 25 1.546 0.473 4.811 169 1HB LYS 25 1HB LYS 25 4.582 0.337 4.539 170 2HB LYS 25 2HB LYS 25 3.648 1.719 5.016 171 1HG LYS 25 1HG LYS 25 3.733 -0.858 6.630 172 2HG LYS 25 2HG LYS 25 4.661 0.586 6.991 173 1HD LYS 25 1HD LYS 25 2.544 1.883 7.247 174 2HD LYS 25 2HD LYS 25 1.621 0.448 6.876 175 1HE LYS 25 1HE LYS 25 2.544 -0.683 8.875 176 2HE LYS 25 2HE LYS 25 3.489 0.752 9.252 177 1HZ LYS 25 1HZ LYS 25 0.691 1.256 8.812 178 2HZ LYS 25 2HZ LYS 25 1.018 0.264 10.152 179 3HZ LYS 25 3HZ LYS 25 1.722 1.808 10.044 180 H CYS 26 H CYS 26 1.869 2.319 3.490 181 HA CYS 26 HA CYS 26 1.698 1.595 0.655 182 1HB CYS 26 1HB CYS 26 1.314 4.184 2.097 183 2HB CYS 26 2HB CYS 26 0.974 3.937 0.402 184 1HN NH2 27 1HT NH2 27 2.694 2.913 -1.071 185 2HN NH2 27 2HT NH2 27 4.298 3.428 -0.898 Start of MODEL 9 1 1H CYS 1 1H CYS 1 -8.220 7.626 1.623 2 2H CYS 1 2H CYS 1 -9.105 6.371 0.900 3 3H CYS 1 3H CYS 1 -8.617 6.240 2.521 4 HA CYS 1 HA CYS 1 -7.203 4.878 1.187 5 1HB CYS 1 1HB CYS 1 -5.831 5.860 -0.574 6 2HB CYS 1 2HB CYS 1 -7.513 6.103 -0.936 7 H LYS 2 H LYS 2 -5.060 4.619 1.742 8 HA LYS 2 HA LYS 2 -4.099 6.423 3.889 9 1HB LYS 2 1HB LYS 2 -3.262 3.619 3.058 10 2HB LYS 2 2HB LYS 2 -2.489 4.504 4.344 11 1HG LYS 2 1HG LYS 2 -4.046 2.977 5.321 12 2HG LYS 2 2HG LYS 2 -4.641 4.597 5.584 13 1HD LYS 2 1HD LYS 2 -6.301 4.308 3.751 14 2HD LYS 2 2HD LYS 2 -5.653 2.706 3.424 15 1HE LYS 2 1HE LYS 2 -6.923 3.622 6.043 16 2HE LYS 2 2HE LYS 2 -7.707 2.619 4.833 17 1HZ LYS 2 1HZ LYS 2 -5.564 1.179 5.193 18 2HZ LYS 2 2HZ LYS 2 -5.578 1.947 6.708 19 3HZ LYS 2 3HZ LYS 2 -6.918 1.031 6.206 20 H GLY 3 H GLY 3 -2.500 7.786 3.572 21 1HA GLY 3 1HA GLY 3 -1.236 8.295 1.080 22 2HA GLY 3 2HA GLY 3 -0.668 8.906 2.632 23 H LYS 4 H LYS 4 1.362 8.371 0.976 24 HA LYS 4 HA LYS 4 2.236 5.695 0.775 25 1HB LYS 4 1HB LYS 4 4.397 6.684 0.242 26 2HB LYS 4 2HB LYS 4 3.116 7.542 -0.551 27 1HG LYS 4 1HG LYS 4 4.587 9.237 0.138 28 2HG LYS 4 2HG LYS 4 3.307 9.294 1.329 29 1HD LYS 4 1HD LYS 4 4.761 7.995 2.935 30 2HD LYS 4 2HD LYS 4 5.983 7.897 1.697 31 1HE LYS 4 1HE LYS 4 6.176 10.374 1.706 32 2HE LYS 4 2HE LYS 4 4.889 10.479 2.901 33 1HZ LYS 4 1HZ LYS 4 7.278 8.847 3.423 34 2HZ LYS 4 2HZ LYS 4 7.307 10.526 3.671 35 3HZ LYS 4 3HZ LYS 4 6.201 9.561 4.525 36 H GLY 5 H GLY 5 3.582 4.453 1.989 37 1HA GLY 5 1HA GLY 5 4.544 3.498 3.868 38 2HA GLY 5 2HA GLY 5 4.922 5.123 4.408 39 H ALA 6 H ALA 6 1.631 4.789 3.907 40 HA ALA 6 HA ALA 6 1.142 4.664 6.835 41 1HB ALA 6 1HB ALA 6 0.168 6.533 5.575 42 2HB ALA 6 2HB ALA 6 -0.700 5.413 4.547 43 3HB ALA 6 3HB ALA 6 -1.119 5.546 6.237 44 HA PRO 7 HA PRO 7 -0.211 0.591 6.969 45 1HB PRO 7 1HB PRO 7 -2.335 0.680 8.796 46 2HB PRO 7 2HB PRO 7 -0.625 0.639 9.183 47 1HG PRO 7 1HG PRO 7 -2.495 2.931 9.255 48 2HG PRO 7 2HG PRO 7 -1.001 2.684 10.151 49 1HD PRO 7 1HD PRO 7 -1.318 4.380 7.922 50 2HD PRO 7 2HD PRO 7 0.233 3.827 8.579 51 H CYS 8 H CYS 8 -0.905 0.334 4.873 52 HA CYS 8 HA CYS 8 -3.785 0.540 4.197 53 1HB CYS 8 1HB CYS 8 -2.892 -0.021 1.888 54 2HB CYS 8 2HB CYS 8 -2.400 1.467 2.524 55 H ARG 9 H ARG 9 -3.921 -1.316 2.244 56 HA ARG 9 HA ARG 9 -3.546 -3.971 3.480 57 1HB ARG 9 1HB ARG 9 -5.826 -2.951 3.891 58 2HB ARG 9 2HB ARG 9 -6.067 -2.920 2.154 59 1HG ARG 9 1HG ARG 9 -5.681 -5.425 2.150 60 2HG ARG 9 2HG ARG 9 -5.682 -5.365 3.898 61 1HD ARG 9 1HD ARG 9 -8.012 -4.523 2.105 62 2HD ARG 9 2HD ARG 9 -7.960 -5.917 3.166 63 HE ARG 9 HE ARG 9 -8.171 -4.495 5.069 64 1HH1 ARG 9 1HH1 ARG 9 -8.007 -2.707 2.085 65 2HH1 ARG 9 2HH1 ARG 9 -8.551 -1.239 2.817 66 1HH2 ARG 9 1HH2 ARG 9 -8.859 -2.629 5.991 67 2HH2 ARG 9 2HH2 ARG 9 -9.037 -1.191 5.041 68 H LYS 10 H LYS 10 -2.137 -4.703 2.151 69 HA LYS 10 HA LYS 10 -1.389 -4.184 -0.429 70 1HB LYS 10 1HB LYS 10 -0.111 -5.686 0.926 71 2HB LYS 10 2HB LYS 10 -1.476 -6.743 1.190 72 1HG LYS 10 1HG LYS 10 0.111 -7.751 -0.353 73 2HG LYS 10 2HG LYS 10 -1.427 -7.489 -1.135 74 1HD LYS 10 1HD LYS 10 0.252 -6.933 -2.677 75 2HD LYS 10 2HD LYS 10 -0.452 -5.414 -2.187 76 1HE LYS 10 1HE LYS 10 1.353 -4.972 -0.614 77 2HE LYS 10 2HE LYS 10 2.098 -6.529 -0.963 78 1HZ LYS 10 1HZ LYS 10 1.618 -4.490 -3.042 79 2HZ LYS 10 2HZ LYS 10 3.043 -4.546 -2.124 80 3HZ LYS 10 3HZ LYS 10 2.624 -5.855 -3.122 81 H THR 11 H THR 11 -3.640 -6.512 0.584 82 HA THR 11 HA THR 11 -4.701 -7.955 -1.314 83 HB THR 11 HB THR 11 -6.434 -6.168 0.461 84 HG1 THR 11 HG1 THR 11 -5.151 -8.700 0.730 85 1HG2 THR 11 1HG2 THR 11 -6.931 -9.003 -0.659 86 2HG2 THR 11 2HG2 THR 11 -8.027 -8.102 0.376 87 3HG2 THR 11 3HG2 THR 11 -7.748 -7.574 -1.273 88 H MET 12 H MET 12 -5.614 -4.543 -1.135 89 HA MET 12 HA MET 12 -6.294 -4.631 -4.039 90 1HB MET 12 1HB MET 12 -8.424 -3.436 -3.595 91 2HB MET 12 2HB MET 12 -8.367 -4.974 -2.758 92 1HG MET 12 1HG MET 12 -7.678 -3.855 -0.667 93 2HG MET 12 2HG MET 12 -7.727 -2.312 -1.469 94 1HE MET 12 1HE MET 12 -9.433 -4.931 0.511 95 2HE MET 12 2HE MET 12 -11.150 -4.730 0.234 96 3HE MET 12 3HE MET 12 -10.159 -5.455 -1.024 97 H TYR 13 H TYR 13 -4.219 -3.410 -2.165 98 HA TYR 13 HA TYR 13 -2.987 -1.450 -1.992 99 1HB TYR 13 1HB TYR 13 -4.316 -0.917 -4.694 100 2HB TYR 13 2HB TYR 13 -2.863 -0.117 -4.112 101 HD1 TYR 13 HD1 TYR 13 -1.200 -2.260 -3.043 102 HD2 TYR 13 HD2 TYR 13 -3.755 -2.337 -6.451 103 HE1 TYR 13 HE1 TYR 13 0.138 -4.055 -4.007 104 HE2 TYR 13 HE2 TYR 13 -2.407 -4.139 -7.410 105 HH TYR 13 HH TYR 13 -0.248 -5.948 -5.669 106 H ASP 14 H ASP 14 -4.446 -1.085 -0.288 107 HA ASP 14 HA ASP 14 -6.731 0.707 -0.570 108 1HB ASP 14 1HB ASP 14 -6.579 -1.100 1.097 109 2HB ASP 14 2HB ASP 14 -5.215 -0.368 1.831 110 H CYS 15 H CYS 15 -3.864 1.455 -1.238 111 HA CYS 15 HA CYS 15 -3.460 3.877 0.423 112 1HB CYS 15 1HB CYS 15 -1.742 2.689 -1.738 113 2HB CYS 15 2HB CYS 15 -1.298 4.018 -0.697 114 H CYS 16 H CYS 16 -3.015 5.902 -0.488 115 HA CYS 16 HA CYS 16 -4.811 6.692 -2.603 116 1HB CYS 16 1HB CYS 16 -2.507 8.195 -1.306 117 2HB CYS 16 2HB CYS 16 -3.811 8.907 -2.212 118 H SER 17 H SER 17 -1.486 5.918 -2.166 119 HA SER 17 HA SER 17 -0.468 6.751 -4.739 120 1HB SER 17 1HB SER 17 1.009 6.409 -2.716 121 2HB SER 17 2HB SER 17 0.640 4.680 -2.759 122 HG SER 17 HG SER 17 1.492 4.572 -4.823 123 H GLY 18 H GLY 18 -2.160 4.050 -3.467 124 1HA GLY 18 1HA GLY 18 -3.161 2.216 -4.486 125 2HA GLY 18 2HA GLY 18 -2.727 2.931 -6.038 126 H SER 19 H SER 19 -0.352 2.273 -3.647 127 HA SER 19 HA SER 19 0.517 -0.236 -4.973 128 1HB SER 19 1HB SER 19 2.878 0.721 -5.153 129 2HB SER 19 2HB SER 19 1.734 1.648 -6.134 130 HG SER 19 HG SER 19 1.478 3.056 -4.353 131 H CYS 20 H CYS 20 -0.693 -0.460 -2.743 132 HA CYS 20 HA CYS 20 0.762 0.046 -0.347 133 1HB CYS 20 1HB CYS 20 -1.627 -0.505 -0.359 134 2HB CYS 20 2HB CYS 20 -1.299 -2.111 -0.907 135 H GLY 21 H GLY 21 1.916 -1.261 0.905 136 1HA GLY 21 1HA GLY 21 3.687 -3.213 -0.428 137 2HA GLY 21 2HA GLY 21 4.017 -2.396 1.084 138 H ARG 22 H ARG 22 4.248 -5.090 0.352 139 HA ARG 22 HA ARG 22 2.254 -6.795 1.493 140 1HB ARG 22 1HB ARG 22 4.063 -8.550 1.340 141 2HB ARG 22 2HB ARG 22 3.776 -7.687 -0.143 142 1HG ARG 22 1HG ARG 22 6.156 -7.998 0.114 143 2HG ARG 22 2HG ARG 22 5.806 -6.294 0.261 144 1HD ARG 22 1HD ARG 22 6.078 -6.408 2.709 145 2HD ARG 22 2HD ARG 22 6.322 -8.147 2.640 146 HE ARG 22 HE ARG 22 8.217 -6.035 1.910 147 1HH1 ARG 22 1HH1 ARG 22 7.349 -9.378 1.545 148 2HH1 ARG 22 2HH1 ARG 22 8.957 -9.858 1.122 149 1HH2 ARG 22 1HH2 ARG 22 10.248 -6.628 1.376 150 2HH2 ARG 22 2HH2 ARG 22 10.623 -8.281 1.023 151 H ARG 23 H ARG 23 4.428 -4.782 2.955 152 HA ARG 23 HA ARG 23 4.871 -6.293 5.437 153 1HB ARG 23 1HB ARG 23 6.407 -4.485 4.346 154 2HB ARG 23 2HB ARG 23 5.213 -3.306 4.798 155 1HG ARG 23 1HG ARG 23 6.916 -4.950 6.698 156 2HG ARG 23 2HG ARG 23 7.135 -3.264 6.315 157 1HD ARG 23 1HD ARG 23 6.126 -3.330 8.479 158 2HD ARG 23 2HD ARG 23 4.846 -2.836 7.376 159 HE ARG 23 HE ARG 23 4.738 -5.650 7.569 160 1HH1 ARG 23 1HH1 ARG 23 4.336 -2.839 9.558 161 2HH1 ARG 23 2HH1 ARG 23 3.193 -3.604 10.609 162 1HH2 ARG 23 1HH2 ARG 23 3.292 -6.638 8.886 163 2HH2 ARG 23 2HH2 ARG 23 2.591 -5.790 10.225 164 H GLY 24 H GLY 24 3.065 -3.619 4.085 165 1HA GLY 24 1HA GLY 24 0.552 -3.732 4.559 166 2HA GLY 24 2HA GLY 24 1.023 -3.705 6.261 167 H LYS 25 H LYS 25 3.095 -1.955 4.203 168 HA LYS 25 HA LYS 25 1.790 0.639 5.022 169 1HB LYS 25 1HB LYS 25 4.719 0.237 4.387 170 2HB LYS 25 2HB LYS 25 3.981 1.659 5.053 171 1HG LYS 25 1HG LYS 25 4.055 -0.979 6.549 172 2HG LYS 25 2HG LYS 25 5.140 0.366 6.844 173 1HD LYS 25 1HD LYS 25 3.231 1.817 7.447 174 2HD LYS 25 2HD LYS 25 2.095 0.533 7.096 175 1HE LYS 25 1HE LYS 25 3.134 -0.859 8.886 176 2HE LYS 25 2HE LYS 25 4.256 0.450 9.240 177 1HZ LYS 25 1HZ LYS 25 1.313 0.736 9.336 178 2HZ LYS 25 2HZ LYS 25 2.274 0.369 10.688 179 3HZ LYS 25 3HZ LYS 25 2.477 1.848 9.877 180 H CYS 26 H CYS 26 1.920 2.277 3.557 181 HA CYS 26 HA CYS 26 1.471 1.437 0.835 182 1HB CYS 26 1HB CYS 26 1.550 4.121 2.116 183 2HB CYS 26 2HB CYS 26 1.080 3.879 0.446 184 1HN NH2 27 1HT NH2 27 2.304 2.613 -1.097 185 2HN NH2 27 2HT NH2 27 3.977 2.842 -1.203 Start of MODEL 10 1 1H CYS 1 1H CYS 1 -8.369 7.574 0.798 2 2H CYS 1 2H CYS 1 -9.103 6.276 -0.017 3 3H CYS 1 3H CYS 1 -8.911 6.221 1.670 4 HA CYS 1 HA CYS 1 -7.265 4.826 0.639 5 1HB CYS 1 1HB CYS 1 -5.605 5.787 -0.843 6 2HB CYS 1 2HB CYS 1 -7.186 6.031 -1.519 7 H LYS 2 H LYS 2 -4.958 4.886 1.204 8 HA LYS 2 HA LYS 2 -4.488 6.675 3.556 9 1HB LYS 2 1HB LYS 2 -3.504 3.827 3.103 10 2HB LYS 2 2HB LYS 2 -3.198 4.764 4.535 11 1HG LYS 2 1HG LYS 2 -5.908 3.779 3.531 12 2HG LYS 2 2HG LYS 2 -5.039 3.175 4.916 13 1HD LYS 2 1HD LYS 2 -6.263 5.959 4.707 14 2HD LYS 2 2HD LYS 2 -6.955 4.603 5.555 15 1HE LYS 2 1HE LYS 2 -5.879 6.079 7.168 16 2HE LYS 2 2HE LYS 2 -4.981 4.573 7.095 17 1HZ LYS 2 1HZ LYS 2 -4.125 6.722 5.328 18 2HZ LYS 2 2HZ LYS 2 -3.822 6.902 6.988 19 3HZ LYS 2 3HZ LYS 2 -3.218 5.551 6.159 20 H GLY 3 H GLY 3 -2.863 7.943 3.391 21 1HA GLY 3 1HA GLY 3 -1.229 8.379 1.161 22 2HA GLY 3 2HA GLY 3 -0.828 8.932 2.777 23 H LYS 4 H LYS 4 1.197 8.357 1.128 24 HA LYS 4 HA LYS 4 2.189 5.712 1.048 25 1HB LYS 4 1HB LYS 4 3.116 7.588 -0.272 26 2HB LYS 4 2HB LYS 4 3.735 8.318 1.198 27 1HG LYS 4 1HG LYS 4 5.198 6.315 1.577 28 2HG LYS 4 2HG LYS 4 4.531 5.555 0.148 29 1HD LYS 4 1HD LYS 4 6.719 6.537 -0.365 30 2HD LYS 4 2HD LYS 4 5.472 7.378 -1.262 31 1HE LYS 4 1HE LYS 4 5.504 9.227 0.416 32 2HE LYS 4 2HE LYS 4 6.730 8.366 1.339 33 1HZ LYS 4 1HZ LYS 4 7.193 8.928 -1.500 34 2HZ LYS 4 2HZ LYS 4 7.387 10.174 -0.362 35 3HZ LYS 4 3HZ LYS 4 8.311 8.755 -0.232 36 H GLY 5 H GLY 5 3.253 4.461 2.405 37 1HA GLY 5 1HA GLY 5 4.410 3.696 4.289 38 2HA GLY 5 2HA GLY 5 4.562 5.341 4.861 39 H ALA 6 H ALA 6 1.368 4.927 4.209 40 HA ALA 6 HA ALA 6 0.745 4.534 7.068 41 1HB ALA 6 1HB ALA 6 -0.369 6.366 5.813 42 2HB ALA 6 2HB ALA 6 -1.073 5.187 4.716 43 3HB ALA 6 3HB ALA 6 -1.535 5.198 6.409 44 HA PRO 7 HA PRO 7 0.004 0.328 6.678 45 1HB PRO 7 1HB PRO 7 -2.131 -0.098 8.469 46 2HB PRO 7 2HB PRO 7 -0.428 0.002 8.882 47 1HG PRO 7 1HG PRO 7 -2.557 2.013 9.263 48 2HG PRO 7 2HG PRO 7 -1.016 1.858 10.095 49 1HD PRO 7 1HD PRO 7 -1.634 3.764 8.087 50 2HD PRO 7 2HD PRO 7 -0.010 3.380 8.688 51 H CYS 8 H CYS 8 -0.693 -0.252 4.719 52 HA CYS 8 HA CYS 8 -3.553 0.088 3.959 53 1HB CYS 8 1HB CYS 8 -2.699 -0.526 1.692 54 2HB CYS 8 2HB CYS 8 -2.117 0.945 2.339 55 H ARG 9 H ARG 9 -4.106 -1.607 2.201 56 HA ARG 9 HA ARG 9 -3.685 -4.387 3.130 57 1HB ARG 9 1HB ARG 9 -5.741 -3.305 4.104 58 2HB ARG 9 2HB ARG 9 -6.336 -3.074 2.469 59 1HG ARG 9 1HG ARG 9 -6.141 -5.571 2.146 60 2HG ARG 9 2HG ARG 9 -5.770 -5.713 3.849 61 1HD ARG 9 1HD ARG 9 -8.371 -4.568 2.710 62 2HD ARG 9 2HD ARG 9 -8.183 -6.075 3.584 63 HE ARG 9 HE ARG 9 -7.911 -4.878 5.620 64 1HH1 ARG 9 1HH1 ARG 9 -8.171 -2.744 2.877 65 2HH1 ARG 9 2HH1 ARG 9 -8.417 -1.345 3.861 66 1HH2 ARG 9 1HH2 ARG 9 -8.224 -3.106 6.860 67 2HH2 ARG 9 2HH2 ARG 9 -8.452 -1.549 6.133 68 H LYS 10 H LYS 10 -2.827 -5.306 1.420 69 HA LYS 10 HA LYS 10 -2.736 -4.386 -1.245 70 1HB LYS 10 1HB LYS 10 -2.591 -7.287 -0.310 71 2HB LYS 10 2HB LYS 10 -2.142 -6.738 -1.903 72 1HG LYS 10 1HG LYS 10 -0.149 -7.092 -0.596 73 2HG LYS 10 2HG LYS 10 -0.315 -5.385 -0.940 74 1HD LYS 10 1HD LYS 10 -1.086 -4.933 1.338 75 2HD LYS 10 2HD LYS 10 -1.146 -6.655 1.707 76 1HE LYS 10 1HE LYS 10 1.294 -6.776 1.331 77 2HE LYS 10 2HE LYS 10 1.320 -5.071 0.898 78 1HZ LYS 10 1HZ LYS 10 0.502 -6.187 3.522 79 2HZ LYS 10 2HZ LYS 10 1.987 -5.434 3.184 80 3HZ LYS 10 3HZ LYS 10 0.547 -4.538 3.114 81 H THR 11 H THR 11 -5.018 -6.346 0.401 82 HA THR 11 HA THR 11 -6.562 -7.724 -1.318 83 HB THR 11 HB THR 11 -7.648 -5.779 0.789 84 HG1 THR 11 HG1 THR 11 -7.133 -7.420 2.125 85 1HG2 THR 11 1HG2 THR 11 -8.768 -8.464 -0.244 86 2HG2 THR 11 2HG2 THR 11 -9.498 -7.449 0.990 87 3HG2 THR 11 3HG2 THR 11 -9.459 -6.908 -0.678 88 H MET 12 H MET 12 -6.641 -4.253 -0.992 89 HA MET 12 HA MET 12 -7.916 -4.024 -3.664 90 1HB MET 12 1HB MET 12 -9.591 -2.407 -2.774 91 2HB MET 12 2HB MET 12 -9.754 -3.968 -1.996 92 1HG MET 12 1HG MET 12 -8.415 -3.170 -0.066 93 2HG MET 12 2HG MET 12 -8.248 -1.612 -0.819 94 1HE MET 12 1HE MET 12 -10.642 -4.242 0.418 95 2HE MET 12 2HE MET 12 -10.186 -3.455 1.944 96 3HE MET 12 3HE MET 12 -11.837 -3.353 1.328 97 H TYR 13 H TYR 13 -5.390 -3.359 -1.906 98 HA TYR 13 HA TYR 13 -3.738 -1.718 -1.840 99 1HB TYR 13 1HB TYR 13 -5.062 -1.024 -4.532 100 2HB TYR 13 2HB TYR 13 -3.469 -0.461 -4.032 101 HD1 TYR 13 HD1 TYR 13 -1.687 -2.210 -3.485 102 HD2 TYR 13 HD2 TYR 13 -5.344 -3.239 -5.415 103 HE1 TYR 13 HE1 TYR 13 -0.708 -4.330 -4.214 104 HE2 TYR 13 HE2 TYR 13 -4.359 -5.359 -6.143 105 HH TYR 13 HH TYR 13 -1.443 -6.018 -6.458 106 H ASP 14 H ASP 14 -4.837 -1.031 -0.109 107 HA ASP 14 HA ASP 14 -6.804 1.104 -0.115 108 1HB ASP 14 1HB ASP 14 -6.839 -0.683 1.538 109 2HB ASP 14 2HB ASP 14 -5.230 -0.350 2.055 110 H CYS 15 H CYS 15 -4.059 1.421 -1.222 111 HA CYS 15 HA CYS 15 -3.098 3.786 0.316 112 1HB CYS 15 1HB CYS 15 -1.719 2.211 -1.855 113 2HB CYS 15 2HB CYS 15 -1.029 3.560 -0.989 114 H CYS 16 H CYS 16 -2.814 5.752 -0.593 115 HA CYS 16 HA CYS 16 -4.501 6.485 -2.802 116 1HB CYS 16 1HB CYS 16 -2.232 8.003 -1.467 117 2HB CYS 16 2HB CYS 16 -3.479 8.703 -2.459 118 H SER 17 H SER 17 -1.211 5.645 -2.309 119 HA SER 17 HA SER 17 -0.209 6.400 -4.940 120 1HB SER 17 1HB SER 17 1.288 6.334 -2.912 121 2HB SER 17 2HB SER 17 1.021 4.590 -2.790 122 HG SER 17 HG SER 17 1.910 4.318 -4.798 123 H GLY 18 H GLY 18 -1.739 3.700 -3.455 124 1HA GLY 18 1HA GLY 18 -2.721 1.816 -4.450 125 2HA GLY 18 2HA GLY 18 -2.032 2.291 -5.996 126 H SER 19 H SER 19 0.621 2.479 -4.380 127 HA SER 19 HA SER 19 1.457 -0.308 -4.891 128 1HB SER 19 1HB SER 19 3.777 0.711 -4.667 129 2HB SER 19 2HB SER 19 2.796 1.581 -5.856 130 HG SER 19 HG SER 19 3.016 3.244 -4.624 131 H CYS 20 H CYS 20 0.014 -0.794 -2.941 132 HA CYS 20 HA CYS 20 0.875 -0.101 -0.313 133 1HB CYS 20 1HB CYS 20 -1.352 -0.882 -0.661 134 2HB CYS 20 2HB CYS 20 -0.842 -2.404 -1.294 135 H GLY 21 H GLY 21 2.793 -0.448 0.348 136 1HA GLY 21 1HA GLY 21 4.737 -2.316 -0.278 137 2HA GLY 21 2HA GLY 21 4.625 -1.535 1.295 138 H ARG 22 H ARG 22 5.268 -4.231 0.324 139 HA ARG 22 HA ARG 22 3.326 -6.157 1.299 140 1HB ARG 22 1HB ARG 22 5.309 -6.313 -0.492 141 2HB ARG 22 2HB ARG 22 6.259 -6.773 0.897 142 1HG ARG 22 1HG ARG 22 3.789 -8.205 -0.157 143 2HG ARG 22 2HG ARG 22 5.435 -8.749 -0.328 144 1HD ARG 22 1HD ARG 22 3.867 -8.612 2.278 145 2HD ARG 22 2HD ARG 22 4.302 -10.046 1.394 146 HE ARG 22 HE ARG 22 6.105 -8.478 3.075 147 1HH1 ARG 22 1HH1 ARG 22 5.821 -10.768 0.484 148 2HH1 ARG 22 2HH1 ARG 22 7.411 -11.407 0.726 149 1HH2 ARG 22 1HH2 ARG 22 8.119 -9.271 3.396 150 2HH2 ARG 22 2HH2 ARG 22 8.732 -10.547 2.396 151 H ARG 23 H ARG 23 5.268 -4.016 2.823 152 HA ARG 23 HA ARG 23 6.177 -5.591 5.115 153 1HB ARG 23 1HB ARG 23 7.312 -3.523 4.163 154 2HB ARG 23 2HB ARG 23 5.907 -2.594 4.612 155 1HG ARG 23 1HG ARG 23 7.749 -3.970 6.589 156 2HG ARG 23 2HG ARG 23 7.843 -2.281 6.150 157 1HD ARG 23 1HD ARG 23 5.455 -2.004 7.053 158 2HD ARG 23 2HD ARG 23 5.575 -3.656 7.641 159 HE ARG 23 HE ARG 23 7.048 -2.994 9.303 160 1HH1 ARG 23 1HH1 ARG 23 6.620 -0.474 6.957 161 2HH1 ARG 23 2HH1 ARG 23 7.451 0.708 7.911 162 1HH2 ARG 23 1HH2 ARG 23 8.107 -1.510 10.522 163 2HH2 ARG 23 2HH2 ARG 23 8.306 0.114 9.955 164 H GLY 24 H GLY 24 3.614 -3.477 4.116 165 1HA GLY 24 1HA GLY 24 1.325 -4.231 5.034 166 2HA GLY 24 2HA GLY 24 2.046 -3.928 6.615 167 H LYS 25 H LYS 25 3.396 -1.812 4.461 168 HA LYS 25 HA LYS 25 1.375 0.314 5.107 169 1HB LYS 25 1HB LYS 25 3.321 1.881 5.212 170 2HB LYS 25 2HB LYS 25 3.305 0.738 6.503 171 1HG LYS 25 1HG LYS 25 5.586 1.032 5.702 172 2HG LYS 25 2HG LYS 25 5.072 -0.586 5.273 173 1HD LYS 25 1HD LYS 25 4.694 0.045 2.979 174 2HD LYS 25 2HD LYS 25 4.839 1.746 3.374 175 1HE LYS 25 1HE LYS 25 6.893 0.837 2.256 176 2HE LYS 25 2HE LYS 25 7.279 1.305 3.904 177 1HZ LYS 25 1HZ LYS 25 6.563 -1.445 3.081 178 2HZ LYS 25 2HZ LYS 25 8.155 -0.877 3.251 179 3HZ LYS 25 3HZ LYS 25 7.128 -0.946 4.603 180 H CYS 26 H CYS 26 2.018 2.353 3.667 181 HA CYS 26 HA CYS 26 1.651 1.374 0.907 182 1HB CYS 26 1HB CYS 26 1.320 4.070 2.156 183 2HB CYS 26 2HB CYS 26 0.996 3.718 0.473 184 1HN NH2 27 1HT NH2 27 2.606 2.449 -0.967 185 2HN NH2 27 2HT NH2 27 4.210 2.995 -0.904 Start of MODEL 11 1 1H CYS 1 1H CYS 1 -8.075 7.828 1.376 2 2H CYS 1 2H CYS 1 -9.047 6.610 0.700 3 3H CYS 1 3H CYS 1 -8.528 6.485 2.313 4 HA CYS 1 HA CYS 1 -7.227 5.018 0.972 5 1HB CYS 1 1HB CYS 1 -5.824 5.903 -0.822 6 2HB CYS 1 2HB CYS 1 -7.500 6.194 -1.171 7 H LYS 2 H LYS 2 -5.261 4.573 1.713 8 HA LYS 2 HA LYS 2 -4.124 6.236 3.821 9 1HB LYS 2 1HB LYS 2 -3.500 3.509 2.698 10 2HB LYS 2 2HB LYS 2 -2.478 4.231 3.905 11 1HG LYS 2 1HG LYS 2 -4.122 2.620 4.833 12 2HG LYS 2 2HG LYS 2 -4.228 4.203 5.553 13 1HD LYS 2 1HD LYS 2 -6.102 3.388 3.312 14 2HD LYS 2 2HD LYS 2 -6.392 2.947 4.978 15 1HE LYS 2 1HE LYS 2 -6.591 5.200 5.690 16 2HE LYS 2 2HE LYS 2 -6.088 5.881 4.177 17 1HZ LYS 2 1HZ LYS 2 -8.114 4.307 3.414 18 2HZ LYS 2 2HZ LYS 2 -8.622 4.778 4.966 19 3HZ LYS 2 3HZ LYS 2 -8.262 5.956 3.795 20 H GLY 3 H GLY 3 -2.564 7.515 3.721 21 1HA GLY 3 1HA GLY 3 -1.239 8.273 1.263 22 2HA GLY 3 2HA GLY 3 -0.810 8.871 2.861 23 H LYS 4 H LYS 4 1.284 8.453 1.250 24 HA LYS 4 HA LYS 4 2.393 5.903 0.989 25 1HB LYS 4 1HB LYS 4 3.736 8.578 1.431 26 2HB LYS 4 2HB LYS 4 4.566 7.142 0.868 27 1HG LYS 4 1HG LYS 4 3.022 7.010 -1.094 28 2HG LYS 4 2HG LYS 4 2.207 8.461 -0.558 29 1HD LYS 4 1HD LYS 4 5.143 8.285 -1.357 30 2HD LYS 4 2HD LYS 4 3.862 8.938 -2.355 31 1HE LYS 4 1HE LYS 4 4.761 10.092 0.330 32 2HE LYS 4 2HE LYS 4 5.091 10.766 -1.255 33 1HZ LYS 4 1HZ LYS 4 2.633 10.858 -1.577 34 2HZ LYS 4 2HZ LYS 4 2.471 10.501 0.075 35 3HZ LYS 4 3HZ LYS 4 3.263 11.922 -0.413 36 H GLY 5 H GLY 5 3.378 4.521 2.231 37 1HA GLY 5 1HA GLY 5 4.403 3.490 4.042 38 2HA GLY 5 2HA GLY 5 4.776 5.074 4.689 39 H ALA 6 H ALA 6 1.491 4.895 4.140 40 HA ALA 6 HA ALA 6 0.951 4.627 7.020 41 1HB ALA 6 1HB ALA 6 -0.123 6.435 5.733 42 2HB ALA 6 2HB ALA 6 -0.899 5.257 4.693 43 3HB ALA 6 3HB ALA 6 -1.354 5.364 6.378 44 HA PRO 7 HA PRO 7 -0.107 0.455 7.055 45 1HB PRO 7 1HB PRO 7 -2.256 0.378 8.866 46 2HB PRO 7 2HB PRO 7 -0.549 0.409 9.269 47 1HG PRO 7 1HG PRO 7 -2.531 2.594 9.420 48 2HG PRO 7 2HG PRO 7 -1.012 2.408 10.284 49 1HD PRO 7 1HD PRO 7 -1.467 4.139 8.096 50 2HD PRO 7 2HD PRO 7 0.120 3.684 8.739 51 H CYS 8 H CYS 8 -0.764 0.190 4.947 52 HA CYS 8 HA CYS 8 -3.664 0.196 4.340 53 1HB CYS 8 1HB CYS 8 -2.811 -0.162 1.986 54 2HB CYS 8 2HB CYS 8 -2.537 1.384 2.664 55 H ARG 9 H ARG 9 -4.389 -1.250 2.848 56 HA ARG 9 HA ARG 9 -3.637 -4.105 3.260 57 1HB ARG 9 1HB ARG 9 -5.776 -3.350 4.317 58 2HB ARG 9 2HB ARG 9 -6.342 -2.737 2.773 59 1HG ARG 9 1HG ARG 9 -6.265 -5.021 1.841 60 2HG ARG 9 2HG ARG 9 -5.735 -5.663 3.387 61 1HD ARG 9 1HD ARG 9 -8.403 -4.263 2.818 62 2HD ARG 9 2HD ARG 9 -8.170 -5.969 3.145 63 HE ARG 9 HE ARG 9 -7.777 -5.495 5.439 64 1HH1 ARG 9 1HH1 ARG 9 -8.209 -2.592 3.568 65 2HH1 ARG 9 2HH1 ARG 9 -8.421 -1.602 4.970 66 1HH2 ARG 9 1HH2 ARG 9 -8.041 -4.247 7.205 67 2HH2 ARG 9 2HH2 ARG 9 -8.325 -2.545 7.051 68 H LYS 10 H LYS 10 -2.287 -4.078 1.657 69 HA LYS 10 HA LYS 10 -2.473 -3.072 -0.959 70 1HB LYS 10 1HB LYS 10 -0.667 -4.704 -1.423 71 2HB LYS 10 2HB LYS 10 -0.404 -3.953 0.144 72 1HG LYS 10 1HG LYS 10 -1.630 -5.906 1.231 73 2HG LYS 10 2HG LYS 10 -1.689 -6.688 -0.335 74 1HD LYS 10 1HD LYS 10 0.760 -5.970 1.244 75 2HD LYS 10 2HD LYS 10 0.113 -7.572 0.952 76 1HE LYS 10 1HE LYS 10 1.214 -5.715 -1.189 77 2HE LYS 10 2HE LYS 10 2.005 -7.151 -0.559 78 1HZ LYS 10 1HZ LYS 10 0.056 -8.440 -1.327 79 2HZ LYS 10 2HZ LYS 10 -0.519 -7.038 -2.092 80 3HZ LYS 10 3HZ LYS 10 0.954 -7.726 -2.582 81 H THR 11 H THR 11 -3.863 -5.801 0.441 82 HA THR 11 HA THR 11 -4.438 -7.608 -1.558 83 HB THR 11 HB THR 11 -6.303 -6.570 0.636 84 HG1 THR 11 HG1 THR 11 -4.196 -8.471 0.486 85 1HG2 THR 11 1HG2 THR 11 -6.017 -9.391 -0.605 86 2HG2 THR 11 2HG2 THR 11 -7.162 -8.938 0.647 87 3HG2 THR 11 3HG2 THR 11 -7.356 -8.325 -0.982 88 H MET 12 H MET 12 -6.083 -4.725 -0.720 89 HA MET 12 HA MET 12 -7.646 -4.633 -3.274 90 1HB MET 12 1HB MET 12 -8.185 -3.394 -0.551 91 2HB MET 12 2HB MET 12 -9.149 -3.054 -1.972 92 1HG MET 12 1HG MET 12 -8.766 -5.811 -0.785 93 2HG MET 12 2HG MET 12 -10.113 -4.764 -0.464 94 1HE MET 12 1HE MET 12 -8.533 -7.346 -2.358 95 2HE MET 12 2HE MET 12 -9.715 -7.884 -3.518 96 3HE MET 12 3HE MET 12 -8.546 -6.638 -3.982 97 H TYR 13 H TYR 13 -4.937 -3.390 -1.963 98 HA TYR 13 HA TYR 13 -3.618 -1.502 -2.331 99 1HB TYR 13 1HB TYR 13 -5.437 -1.328 -4.801 100 2HB TYR 13 2HB TYR 13 -3.885 -0.508 -4.639 101 HD1 TYR 13 HD1 TYR 13 -1.815 -1.962 -4.188 102 HD2 TYR 13 HD2 TYR 13 -5.524 -3.620 -5.467 103 HE1 TYR 13 HE1 TYR 13 -0.661 -4.009 -4.878 104 HE2 TYR 13 HE2 TYR 13 -4.368 -5.666 -6.155 105 HH TYR 13 HH TYR 13 -1.702 -6.111 -6.903 106 H ASP 14 H ASP 14 -4.803 -1.047 -0.494 107 HA ASP 14 HA ASP 14 -6.964 0.872 -0.388 108 1HB ASP 14 1HB ASP 14 -6.843 -0.912 1.171 109 2HB ASP 14 2HB ASP 14 -5.208 -0.620 1.565 110 H CYS 15 H CYS 15 -4.015 1.452 -1.334 111 HA CYS 15 HA CYS 15 -3.556 3.919 0.294 112 1HB CYS 15 1HB CYS 15 -1.786 2.582 -1.714 113 2HB CYS 15 2HB CYS 15 -1.354 3.973 -0.752 114 H CYS 16 H CYS 16 -3.093 5.875 -0.627 115 HA CYS 16 HA CYS 16 -4.750 6.670 -2.816 116 1HB CYS 16 1HB CYS 16 -2.403 8.091 -1.505 117 2HB CYS 16 2HB CYS 16 -3.631 8.860 -2.461 118 H SER 17 H SER 17 -1.508 5.693 -2.339 119 HA SER 17 HA SER 17 -0.457 6.392 -4.967 120 1HB SER 17 1HB SER 17 0.982 6.309 -2.887 121 2HB SER 17 2HB SER 17 0.692 4.570 -2.786 122 HG SER 17 HG SER 17 1.545 4.343 -4.861 123 H GLY 18 H GLY 18 -2.005 3.733 -3.408 124 1HA GLY 18 1HA GLY 18 -2.924 1.767 -4.238 125 2HA GLY 18 2HA GLY 18 -2.566 2.342 -5.861 126 H SER 19 H SER 19 0.182 2.345 -3.962 127 HA SER 19 HA SER 19 1.079 -0.326 -4.984 128 1HB SER 19 1HB SER 19 3.372 0.753 -5.149 129 2HB SER 19 2HB SER 19 2.192 1.615 -6.148 130 HG SER 19 HG SER 19 3.153 2.271 -3.577 131 H CYS 20 H CYS 20 -0.137 -0.604 -2.780 132 HA CYS 20 HA CYS 20 1.401 -0.039 -0.391 133 1HB CYS 20 1HB CYS 20 -1.030 -0.233 -0.360 134 2HB CYS 20 2HB CYS 20 -0.943 -1.869 -0.881 135 H GLY 21 H GLY 21 3.011 -1.053 0.357 136 1HA GLY 21 1HA GLY 21 4.226 -3.363 -0.798 137 2HA GLY 21 2HA GLY 21 4.728 -2.569 0.683 138 H ARG 22 H ARG 22 5.020 -5.096 0.489 139 HA ARG 22 HA ARG 22 2.902 -6.803 1.476 140 1HB ARG 22 1HB ARG 22 4.839 -7.617 0.120 141 2HB ARG 22 2HB ARG 22 5.926 -7.204 1.430 142 1HG ARG 22 1HG ARG 22 4.788 -8.858 2.910 143 2HG ARG 22 2HG ARG 22 3.662 -9.240 1.620 144 1HD ARG 22 1HD ARG 22 5.612 -10.006 0.208 145 2HD ARG 22 2HD ARG 22 6.692 -9.628 1.543 146 HE ARG 22 HE ARG 22 5.989 -11.576 2.635 147 1HH1 ARG 22 1HH1 ARG 22 3.798 -10.768 0.071 148 2HH1 ARG 22 2HH1 ARG 22 2.917 -12.252 0.206 149 1HH2 ARG 22 1HH2 ARG 22 4.885 -13.459 2.823 150 2HH2 ARG 22 2HH2 ARG 22 3.538 -13.797 1.785 151 H ARG 23 H ARG 23 5.052 -4.609 2.868 152 HA ARG 23 HA ARG 23 5.114 -5.740 5.559 153 1HB ARG 23 1HB ARG 23 6.242 -3.571 6.117 154 2HB ARG 23 2HB ARG 23 6.981 -4.350 4.731 155 1HG ARG 23 1HG ARG 23 5.672 -2.873 3.193 156 2HG ARG 23 2HG ARG 23 4.914 -2.109 4.575 157 1HD ARG 23 1HD ARG 23 7.129 -1.307 5.355 158 2HD ARG 23 2HD ARG 23 7.905 -2.086 3.972 159 HE ARG 23 HE ARG 23 5.961 -0.506 2.814 160 1HH1 ARG 23 1HH1 ARG 23 8.548 0.053 5.055 161 2HH1 ARG 23 2HH1 ARG 23 8.782 1.691 4.545 162 1HH2 ARG 23 1HH2 ARG 23 6.239 1.557 2.156 163 2HH2 ARG 23 2HH2 ARG 23 7.457 2.556 2.876 164 H GLY 24 H GLY 24 2.685 -4.538 3.819 165 1HA GLY 24 1HA GLY 24 0.528 -3.902 4.406 166 2HA GLY 24 2HA GLY 24 1.000 -3.965 6.100 167 H LYS 25 H LYS 25 2.970 -2.066 4.032 168 HA LYS 25 HA LYS 25 1.648 0.451 5.038 169 1HB LYS 25 1HB LYS 25 4.584 0.082 4.369 170 2HB LYS 25 2HB LYS 25 3.857 1.508 5.043 171 1HG LYS 25 1HG LYS 25 3.973 -1.161 6.495 172 2HG LYS 25 2HG LYS 25 5.048 0.189 6.781 173 1HD LYS 25 1HD LYS 25 3.140 1.605 7.469 174 2HD LYS 25 2HD LYS 25 2.015 0.310 7.125 175 1HE LYS 25 1HE LYS 25 2.514 0.398 9.544 176 2HE LYS 25 2HE LYS 25 3.133 -1.100 8.864 177 1HZ LYS 25 1HZ LYS 25 4.808 1.317 9.136 178 2HZ LYS 25 2HZ LYS 25 4.656 0.169 10.378 179 3HZ LYS 25 3HZ LYS 25 5.305 -0.285 8.874 180 H CYS 26 H CYS 26 1.934 2.279 3.620 181 HA CYS 26 HA CYS 26 1.435 1.500 0.849 182 1HB CYS 26 1HB CYS 26 1.477 4.159 2.206 183 2HB CYS 26 2HB CYS 26 1.021 3.929 0.539 184 1HN NH2 27 1HT NH2 27 2.451 2.614 -1.013 185 2HN NH2 27 2HT NH2 27 4.112 2.944 -0.975 Start of MODEL 12 1 1H CYS 1 1H CYS 1 -8.271 7.647 1.365 2 2H CYS 1 2H CYS 1 -9.149 6.436 0.557 3 3H CYS 1 3H CYS 1 -8.750 6.247 2.199 4 HA CYS 1 HA CYS 1 -7.315 4.889 0.854 5 1HB CYS 1 1HB CYS 1 -5.799 5.937 -0.736 6 2HB CYS 1 2HB CYS 1 -7.445 6.258 -1.187 7 H LYS 2 H LYS 2 -4.927 4.836 1.165 8 HA LYS 2 HA LYS 2 -4.153 6.367 3.621 9 1HB LYS 2 1HB LYS 2 -3.274 3.592 2.718 10 2HB LYS 2 2HB LYS 2 -2.772 4.372 4.199 11 1HG LYS 2 1HG LYS 2 -5.625 3.573 3.512 12 2HG LYS 2 2HG LYS 2 -4.556 2.745 4.624 13 1HD LYS 2 1HD LYS 2 -4.499 4.762 6.083 14 2HD LYS 2 2HD LYS 2 -5.570 5.603 4.972 15 1HE LYS 2 1HE LYS 2 -7.316 3.873 5.319 16 2HE LYS 2 2HE LYS 2 -6.261 3.040 6.455 17 1HZ LYS 2 1HZ LYS 2 -7.048 5.867 6.783 18 2HZ LYS 2 2HZ LYS 2 -7.945 4.579 7.432 19 3HZ LYS 2 3HZ LYS 2 -6.343 4.836 7.934 20 H GLY 3 H GLY 3 -2.662 7.807 3.328 21 1HA GLY 3 1HA GLY 3 -1.147 8.269 0.982 22 2HA GLY 3 2HA GLY 3 -0.758 8.939 2.562 23 H LYS 4 H LYS 4 1.323 8.323 0.907 24 HA LYS 4 HA LYS 4 2.410 5.786 0.868 25 1HB LYS 4 1HB LYS 4 4.584 6.930 0.667 26 2HB LYS 4 2HB LYS 4 3.348 7.657 -0.328 27 1HG LYS 4 1HG LYS 4 3.031 9.458 1.378 28 2HG LYS 4 2HG LYS 4 4.292 8.739 2.368 29 1HD LYS 4 1HD LYS 4 5.919 9.022 0.512 30 2HD LYS 4 2HD LYS 4 4.665 9.750 -0.475 31 1HE LYS 4 1HE LYS 4 4.403 11.581 1.197 32 2HE LYS 4 2HE LYS 4 5.655 10.852 2.195 33 1HZ LYS 4 1HZ LYS 4 6.048 11.757 -0.595 34 2HZ LYS 4 2HZ LYS 4 6.457 12.657 0.787 35 3HZ LYS 4 3HZ LYS 4 7.241 11.185 0.469 36 H GLY 5 H GLY 5 3.370 4.448 2.169 37 1HA GLY 5 1HA GLY 5 4.378 3.474 4.017 38 2HA GLY 5 2HA GLY 5 4.724 5.076 4.636 39 H ALA 6 H ALA 6 1.479 4.943 4.051 40 HA ALA 6 HA ALA 6 0.846 4.719 6.906 41 1HB ALA 6 1HB ALA 6 -0.235 6.451 5.507 42 2HB ALA 6 2HB ALA 6 -0.946 5.198 4.504 43 3HB ALA 6 3HB ALA 6 -1.454 5.378 6.167 44 HA PRO 7 HA PRO 7 -0.203 0.535 7.028 45 1HB PRO 7 1HB PRO 7 -2.385 0.483 8.780 46 2HB PRO 7 2HB PRO 7 -0.693 0.584 9.235 47 1HG PRO 7 1HG PRO 7 -2.742 2.723 9.204 48 2HG PRO 7 2HG PRO 7 -1.276 2.602 10.166 49 1HD PRO 7 1HD PRO 7 -1.623 4.245 7.898 50 2HD PRO 7 2HD PRO 7 -0.064 3.827 8.634 51 H CYS 8 H CYS 8 -0.794 0.232 4.926 52 HA CYS 8 HA CYS 8 -3.663 0.227 4.189 53 1HB CYS 8 1HB CYS 8 -2.696 -0.195 1.891 54 2HB CYS 8 2HB CYS 8 -2.424 1.353 2.570 55 H ARG 9 H ARG 9 -4.004 -1.440 2.427 56 HA ARG 9 HA ARG 9 -3.116 -4.167 3.168 57 1HB ARG 9 1HB ARG 9 -5.317 -3.474 4.219 58 2HB ARG 9 2HB ARG 9 -5.958 -3.244 2.602 59 1HG ARG 9 1HG ARG 9 -5.376 -5.660 2.131 60 2HG ARG 9 2HG ARG 9 -4.963 -5.841 3.820 61 1HD ARG 9 1HD ARG 9 -7.726 -5.051 2.771 62 2HD ARG 9 2HD ARG 9 -7.289 -6.571 3.530 63 HE ARG 9 HE ARG 9 -7.172 -5.502 5.648 64 1HH1 ARG 9 1HH1 ARG 9 -7.810 -3.237 3.081 65 2HH1 ARG 9 2HH1 ARG 9 -8.256 -1.971 4.169 66 1HH2 ARG 9 1HH2 ARG 9 -7.735 -3.904 7.022 67 2HH2 ARG 9 2HH2 ARG 9 -8.216 -2.350 6.424 68 H LYS 10 H LYS 10 -1.927 -4.423 1.366 69 HA LYS 10 HA LYS 10 -2.357 -3.351 -1.214 70 1HB LYS 10 1HB LYS 10 -0.697 -4.963 -1.999 71 2HB LYS 10 2HB LYS 10 -0.226 -4.388 -0.419 72 1HG LYS 10 1HG LYS 10 -1.548 -7.071 -0.952 73 2HG LYS 10 2HG LYS 10 0.158 -6.813 -0.672 74 1HD LYS 10 1HD LYS 10 -0.379 -5.934 1.632 75 2HD LYS 10 2HD LYS 10 -2.072 -6.322 1.348 76 1HE LYS 10 1HE LYS 10 -1.539 -8.690 1.006 77 2HE LYS 10 2HE LYS 10 0.169 -8.357 1.274 78 1HZ LYS 10 1HZ LYS 10 -1.983 -7.819 3.236 79 2HZ LYS 10 2HZ LYS 10 -0.969 -9.182 3.247 80 3HZ LYS 10 3HZ LYS 10 -0.312 -7.633 3.481 81 H THR 11 H THR 11 -3.922 -5.884 0.358 82 HA THR 11 HA THR 11 -4.798 -7.700 -1.518 83 HB THR 11 HB THR 11 -6.489 -6.333 0.640 84 HG1 THR 11 HG1 THR 11 -4.694 -8.545 0.547 85 1HG2 THR 11 1HG2 THR 11 -6.642 -9.186 -0.540 86 2HG2 THR 11 2HG2 THR 11 -7.693 -8.542 0.712 87 3HG2 THR 11 3HG2 THR 11 -7.802 -7.925 -0.926 88 H MET 12 H MET 12 -6.112 -4.568 -0.823 89 HA MET 12 HA MET 12 -7.530 -4.477 -3.455 90 1HB MET 12 1HB MET 12 -9.260 -3.077 -2.299 91 2HB MET 12 2HB MET 12 -9.147 -4.672 -1.583 92 1HG MET 12 1HG MET 12 -7.685 -3.784 0.203 93 2HG MET 12 2HG MET 12 -7.736 -2.196 -0.506 94 1HE MET 12 1HE MET 12 -10.023 -0.861 -0.820 95 2HE MET 12 2HE MET 12 -10.766 -0.546 0.735 96 3HE MET 12 3HE MET 12 -9.026 -0.385 0.574 97 H TYR 13 H TYR 13 -4.928 -3.401 -1.940 98 HA TYR 13 HA TYR 13 -3.561 -1.516 -2.035 99 1HB TYR 13 1HB TYR 13 -5.171 -1.129 -4.623 100 2HB TYR 13 2HB TYR 13 -3.661 -0.302 -4.257 101 HD1 TYR 13 HD1 TYR 13 -1.595 -1.760 -3.752 102 HD2 TYR 13 HD2 TYR 13 -5.131 -3.339 -5.525 103 HE1 TYR 13 HE1 TYR 13 -0.336 -3.704 -4.532 104 HE2 TYR 13 HE2 TYR 13 -3.867 -5.285 -6.305 105 HH TYR 13 HH TYR 13 -0.959 -5.519 -6.781 106 H ASP 14 H ASP 14 -4.762 -1.028 -0.226 107 HA ASP 14 HA ASP 14 -6.925 0.913 -0.220 108 1HB ASP 14 1HB ASP 14 -6.840 -0.867 1.393 109 2HB ASP 14 2HB ASP 14 -5.254 -0.491 1.911 110 H CYS 15 H CYS 15 -4.101 1.472 -1.228 111 HA CYS 15 HA CYS 15 -3.450 3.884 0.392 112 1HB CYS 15 1HB CYS 15 -1.853 2.529 -1.760 113 2HB CYS 15 2HB CYS 15 -1.322 3.891 -0.804 114 H CYS 16 H CYS 16 -2.996 5.854 -0.504 115 HA CYS 16 HA CYS 16 -4.721 6.713 -2.648 116 1HB CYS 16 1HB CYS 16 -2.402 8.144 -1.294 117 2HB CYS 16 2HB CYS 16 -3.683 8.895 -2.201 118 H SER 17 H SER 17 -1.419 5.876 -2.154 119 HA SER 17 HA SER 17 -0.342 6.701 -4.704 120 1HB SER 17 1HB SER 17 1.094 6.370 -2.662 121 2HB SER 17 2HB SER 17 0.709 4.644 -2.681 122 HG SER 17 HG SER 17 1.597 4.502 -4.733 123 H GLY 18 H GLY 18 -2.157 4.046 -3.547 124 1HA GLY 18 1HA GLY 18 -3.210 2.328 -4.728 125 2HA GLY 18 2HA GLY 18 -2.397 2.867 -6.198 126 H SER 19 H SER 19 -0.020 2.634 -4.049 127 HA SER 19 HA SER 19 0.593 -0.233 -4.636 128 1HB SER 19 1HB SER 19 3.010 0.521 -4.705 129 2HB SER 19 2HB SER 19 2.042 1.346 -5.935 130 HG SER 19 HG SER 19 1.690 2.998 -4.302 131 H CYS 20 H CYS 20 0.731 -1.434 -2.903 132 HA CYS 20 HA CYS 20 1.619 -0.247 -0.317 133 1HB CYS 20 1HB CYS 20 -0.829 -0.432 -0.315 134 2HB CYS 20 2HB CYS 20 -0.762 -2.097 -0.752 135 H GLY 21 H GLY 21 3.232 -1.287 0.492 136 1HA GLY 21 1HA GLY 21 4.427 -3.608 -0.647 137 2HA GLY 21 2HA GLY 21 4.895 -2.853 0.864 138 H ARG 22 H ARG 22 5.231 -5.323 0.835 139 HA ARG 22 HA ARG 22 2.998 -7.004 1.670 140 1HB ARG 22 1HB ARG 22 6.011 -7.478 1.875 141 2HB ARG 22 2HB ARG 22 4.779 -8.710 2.051 142 1HG ARG 22 1HG ARG 22 5.317 -7.101 -0.488 143 2HG ARG 22 2HG ARG 22 5.793 -8.760 -0.213 144 1HD ARG 22 1HD ARG 22 3.379 -9.427 -0.030 145 2HD ARG 22 2HD ARG 22 2.909 -7.756 -0.314 146 HE ARG 22 HE ARG 22 3.408 -8.004 -2.578 147 1HH1 ARG 22 1HH1 ARG 22 4.746 -10.637 -0.758 148 2HH1 ARG 22 2HH1 ARG 22 5.186 -11.532 -2.172 149 1HH2 ARG 22 1HH2 ARG 22 3.960 -9.121 -4.372 150 2HH2 ARG 22 2HH2 ARG 22 4.737 -10.664 -4.247 151 H ARG 23 H ARG 23 4.986 -4.748 3.142 152 HA ARG 23 HA ARG 23 4.948 -5.824 5.860 153 1HB ARG 23 1HB ARG 23 6.769 -4.314 5.009 154 2HB ARG 23 2HB ARG 23 5.592 -3.035 4.786 155 1HG ARG 23 1HG ARG 23 5.139 -3.038 7.261 156 2HG ARG 23 2HG ARG 23 6.328 -4.314 7.457 157 1HD ARG 23 1HD ARG 23 8.096 -2.802 6.575 158 2HD ARG 23 2HD ARG 23 6.887 -1.543 6.319 159 HE ARG 23 HE ARG 23 6.962 -2.548 9.060 160 1HH1 ARG 23 1HH1 ARG 23 8.289 -0.291 6.781 161 2HH1 ARG 23 2HH1 ARG 23 8.809 0.810 8.010 162 1HH2 ARG 23 1HH2 ARG 23 7.618 -1.164 10.626 163 2HH2 ARG 23 2HH2 ARG 23 8.428 0.311 10.216 164 H GLY 24 H GLY 24 2.820 -4.253 3.780 165 1HA GLY 24 1HA GLY 24 0.532 -3.799 4.154 166 2HA GLY 24 2HA GLY 24 0.802 -3.893 5.896 167 H LYS 25 H LYS 25 2.959 -2.038 3.947 168 HA LYS 25 HA LYS 25 1.754 0.520 4.980 169 1HB LYS 25 1HB LYS 25 4.644 0.087 4.156 170 2HB LYS 25 2HB LYS 25 3.977 1.477 4.955 171 1HG LYS 25 1HG LYS 25 4.100 -1.269 6.242 172 2HG LYS 25 2HG LYS 25 5.221 0.040 6.550 173 1HD LYS 25 1HD LYS 25 3.385 1.454 7.425 174 2HD LYS 25 2HD LYS 25 2.212 0.200 7.076 175 1HE LYS 25 1HE LYS 25 2.870 0.142 9.462 176 2HE LYS 25 2HE LYS 25 3.372 -1.336 8.656 177 1HZ LYS 25 1HZ LYS 25 5.389 0.644 8.461 178 2HZ LYS 25 2HZ LYS 25 4.942 0.403 10.082 179 3HZ LYS 25 3HZ LYS 25 5.460 -0.911 9.137 180 H CYS 26 H CYS 26 1.970 2.318 3.554 181 HA CYS 26 HA CYS 26 1.449 1.555 0.771 182 1HB CYS 26 1HB CYS 26 1.362 4.167 2.200 183 2HB CYS 26 2HB CYS 26 0.910 3.981 0.521 184 1HN NH2 27 1HT NH2 27 2.226 3.151 -0.984 185 2HN NH2 27 2HT NH2 27 3.890 3.423 -1.069 Start of MODEL 13 1 1H CYS 1 1H CYS 1 -8.464 7.546 0.986 2 2H CYS 1 2H CYS 1 -9.198 6.120 0.426 3 3H CYS 1 3H CYS 1 -8.710 6.245 2.048 4 HA CYS 1 HA CYS 1 -7.119 4.901 0.882 5 1HB CYS 1 1HB CYS 1 -5.905 5.771 -1.014 6 2HB CYS 1 2HB CYS 1 -7.602 5.898 -1.363 7 H LYS 2 H LYS 2 -4.950 4.971 1.397 8 HA LYS 2 HA LYS 2 -4.204 7.278 3.183 9 1HB LYS 2 1HB LYS 2 -3.462 4.429 3.479 10 2HB LYS 2 2HB LYS 2 -2.958 5.790 4.482 11 1HG LYS 2 1HG LYS 2 -5.520 6.330 4.700 12 2HG LYS 2 2HG LYS 2 -5.765 4.693 4.113 13 1HD LYS 2 1HD LYS 2 -4.069 5.529 6.388 14 2HD LYS 2 2HD LYS 2 -5.680 4.859 6.617 15 1HE LYS 2 1HE LYS 2 -4.900 2.701 5.553 16 2HE LYS 2 2HE LYS 2 -3.269 3.352 5.458 17 1HZ LYS 2 1HZ LYS 2 -4.052 3.767 8.047 18 2HZ LYS 2 2HZ LYS 2 -4.620 2.213 7.665 19 3HZ LYS 2 3HZ LYS 2 -2.977 2.586 7.473 20 H GLY 3 H GLY 3 -2.451 8.261 2.898 21 1HA GLY 3 1HA GLY 3 -0.743 8.098 0.619 22 2HA GLY 3 2HA GLY 3 -0.392 9.036 2.063 23 H LYS 4 H LYS 4 1.657 7.958 0.751 24 HA LYS 4 HA LYS 4 2.632 5.451 1.109 25 1HB LYS 4 1HB LYS 4 4.836 6.381 0.937 26 2HB LYS 4 2HB LYS 4 3.747 7.235 -0.113 27 1HG LYS 4 1HG LYS 4 4.753 8.265 2.568 28 2HG LYS 4 2HG LYS 4 5.326 8.766 0.998 29 1HD LYS 4 1HD LYS 4 3.016 9.654 0.474 30 2HD LYS 4 2HD LYS 4 2.522 9.233 2.108 31 1HE LYS 4 1HE LYS 4 3.153 11.597 2.021 32 2HE LYS 4 2HE LYS 4 4.244 10.701 3.069 33 1HZ LYS 4 1HZ LYS 4 4.906 11.077 0.230 34 2HZ LYS 4 2HZ LYS 4 5.194 12.324 1.348 35 3HZ LYS 4 3HZ LYS 4 5.941 10.813 1.550 36 H GLY 5 H GLY 5 3.498 4.208 2.546 37 1HA GLY 5 1HA GLY 5 4.400 3.351 4.496 38 2HA GLY 5 2HA GLY 5 4.626 4.977 5.094 39 H ALA 6 H ALA 6 1.452 4.760 4.269 40 HA ALA 6 HA ALA 6 0.630 4.571 7.064 41 1HB ALA 6 1HB ALA 6 -0.444 6.168 5.540 42 2HB ALA 6 2HB ALA 6 -1.011 4.839 4.536 43 3HB ALA 6 3HB ALA 6 -1.634 5.039 6.168 44 HA PRO 7 HA PRO 7 -0.161 0.254 7.191 45 1HB PRO 7 1HB PRO 7 -2.313 0.222 9.033 46 2HB PRO 7 2HB PRO 7 -0.599 0.196 9.403 47 1HG PRO 7 1HG PRO 7 -2.506 2.423 9.642 48 2HG PRO 7 2HG PRO 7 -0.936 2.219 10.402 49 1HD PRO 7 1HD PRO 7 -1.527 3.940 8.217 50 2HD PRO 7 2HD PRO 7 0.087 3.513 8.813 51 H CYS 8 H CYS 8 -0.855 0.261 5.013 52 HA CYS 8 HA CYS 8 -3.731 0.216 4.395 53 1HB CYS 8 1HB CYS 8 -2.870 -0.081 2.048 54 2HB CYS 8 2HB CYS 8 -2.386 1.375 2.810 55 H ARG 9 H ARG 9 -3.957 -1.437 2.446 56 HA ARG 9 HA ARG 9 -3.230 -4.190 3.260 57 1HB ARG 9 1HB ARG 9 -6.039 -3.240 2.473 58 2HB ARG 9 2HB ARG 9 -5.589 -4.890 2.867 59 1HG ARG 9 1HG ARG 9 -5.033 -4.205 5.181 60 2HG ARG 9 2HG ARG 9 -5.427 -2.540 4.804 61 1HD ARG 9 1HD ARG 9 -7.377 -4.889 4.710 62 2HD ARG 9 2HD ARG 9 -7.345 -3.633 5.940 63 HE ARG 9 HE ARG 9 -8.538 -3.417 3.323 64 1HH1 ARG 9 1HH1 ARG 9 -6.859 -1.608 5.765 65 2HH1 ARG 9 2HH1 ARG 9 -7.555 -0.101 5.273 66 1HH2 ARG 9 1HH2 ARG 9 -9.425 -1.533 2.700 67 2HH2 ARG 9 2HH2 ARG 9 -9.035 -0.057 3.518 68 H LYS 10 H LYS 10 -1.894 -4.441 1.539 69 HA LYS 10 HA LYS 10 -2.247 -3.350 -1.071 70 1HB LYS 10 1HB LYS 10 -0.512 -4.941 -1.787 71 2HB LYS 10 2HB LYS 10 -0.090 -4.302 -0.220 72 1HG LYS 10 1HG LYS 10 -1.288 -7.049 -0.702 73 2HG LYS 10 2HG LYS 10 0.398 -6.702 -0.392 74 1HD LYS 10 1HD LYS 10 -0.272 -5.756 1.874 75 2HD LYS 10 2HD LYS 10 -1.915 -6.295 1.551 76 1HE LYS 10 1HE LYS 10 -0.784 -7.978 2.898 77 2HE LYS 10 2HE LYS 10 -1.158 -8.627 1.308 78 1HZ LYS 10 1HZ LYS 10 1.465 -7.549 2.168 79 2HZ LYS 10 2HZ LYS 10 1.069 -9.189 1.987 80 3HZ LYS 10 3HZ LYS 10 1.112 -8.171 0.629 81 H THR 11 H THR 11 -3.710 -5.849 0.550 82 HA THR 11 HA THR 11 -4.592 -7.780 -1.170 83 HB THR 11 HB THR 11 -6.162 -6.270 0.993 84 HG1 THR 11 HG1 THR 11 -4.133 -7.120 1.559 85 1HG2 THR 11 1HG2 THR 11 -6.394 -9.197 0.010 86 2HG2 THR 11 2HG2 THR 11 -7.366 -8.465 1.277 87 3HG2 THR 11 3HG2 THR 11 -7.579 -7.965 -0.392 88 H MET 12 H MET 12 -5.902 -4.620 -0.677 89 HA MET 12 HA MET 12 -7.306 -4.644 -3.307 90 1HB MET 12 1HB MET 12 -9.167 -3.379 -2.208 91 2HB MET 12 2HB MET 12 -8.955 -4.959 -1.481 92 1HG MET 12 1HG MET 12 -7.629 -3.971 0.352 93 2HG MET 12 2HG MET 12 -7.785 -2.389 -0.351 94 1HE MET 12 1HE MET 12 -10.273 -1.302 -0.774 95 2HE MET 12 2HE MET 12 -10.997 -1.017 0.797 96 3HE MET 12 3HE MET 12 -9.285 -0.704 0.581 97 H TYR 13 H TYR 13 -4.799 -3.471 -1.782 98 HA TYR 13 HA TYR 13 -3.521 -1.527 -1.808 99 1HB TYR 13 1HB TYR 13 -5.073 -1.189 -4.436 100 2HB TYR 13 2HB TYR 13 -3.593 -0.326 -4.028 101 HD1 TYR 13 HD1 TYR 13 -1.521 -1.743 -3.419 102 HD2 TYR 13 HD2 TYR 13 -4.940 -3.392 -5.351 103 HE1 TYR 13 HE1 TYR 13 -0.184 -3.657 -4.150 104 HE2 TYR 13 HE2 TYR 13 -3.600 -5.306 -6.082 105 HH TYR 13 HH TYR 13 -0.559 -5.422 -6.359 106 H ASP 14 H ASP 14 -4.708 -0.966 -0.011 107 HA ASP 14 HA ASP 14 -6.901 0.943 -0.076 108 1HB ASP 14 1HB ASP 14 -6.814 -0.750 1.617 109 2HB ASP 14 2HB ASP 14 -5.220 -0.350 2.122 110 H CYS 15 H CYS 15 -4.070 1.506 -1.091 111 HA CYS 15 HA CYS 15 -3.527 4.039 0.402 112 1HB CYS 15 1HB CYS 15 -1.779 2.563 -1.554 113 2HB CYS 15 2HB CYS 15 -1.324 3.978 -0.638 114 H CYS 16 H CYS 16 -3.189 5.985 -0.663 115 HA CYS 16 HA CYS 16 -4.846 6.478 -2.959 116 1HB CYS 16 1HB CYS 16 -2.664 8.188 -1.714 117 2HB CYS 16 2HB CYS 16 -3.921 8.750 -2.779 118 H SER 17 H SER 17 -1.520 5.841 -2.350 119 HA SER 17 HA SER 17 -0.452 6.490 -4.954 120 1HB SER 17 1HB SER 17 0.972 6.341 -2.863 121 2HB SER 17 2HB SER 17 0.654 4.602 -2.800 122 HG SER 17 HG SER 17 1.521 4.425 -4.886 123 H GLY 18 H GLY 18 -2.010 3.791 -3.476 124 1HA GLY 18 1HA GLY 18 -2.996 1.896 -4.417 125 2HA GLY 18 2HA GLY 18 -2.477 2.449 -6.005 126 H SER 19 H SER 19 0.231 2.535 -4.226 127 HA SER 19 HA SER 19 1.082 -0.203 -5.053 128 1HB SER 19 1HB SER 19 3.396 0.833 -5.084 129 2HB SER 19 2HB SER 19 2.285 1.706 -6.150 130 HG SER 19 HG SER 19 3.124 2.363 -3.539 131 H CYS 20 H CYS 20 -0.291 -0.348 -2.837 132 HA CYS 20 HA CYS 20 1.145 0.162 -0.412 133 1HB CYS 20 1HB CYS 20 -1.243 -0.141 -0.363 134 2HB CYS 20 2HB CYS 20 -1.149 -1.713 -1.041 135 H GLY 21 H GLY 21 2.844 -0.745 0.289 136 1HA GLY 21 1HA GLY 21 4.225 -2.939 -0.838 137 2HA GLY 21 2HA GLY 21 4.577 -2.212 0.720 138 H ARG 22 H ARG 22 4.982 -4.773 0.310 139 HA ARG 22 HA ARG 22 2.846 -6.544 1.123 140 1HB ARG 22 1HB ARG 22 4.653 -8.246 1.244 141 2HB ARG 22 2HB ARG 22 4.729 -7.320 -0.242 142 1HG ARG 22 1HG ARG 22 6.528 -5.875 0.756 143 2HG ARG 22 2HG ARG 22 6.444 -6.803 2.239 144 1HD ARG 22 1HD ARG 22 8.329 -7.557 0.848 145 2HD ARG 22 2HD ARG 22 7.158 -8.853 0.999 146 HE ARG 22 HE ARG 22 7.689 -7.218 -1.425 147 1HH1 ARG 22 1HH1 ARG 22 5.860 -9.757 0.102 148 2HH1 ARG 22 2HH1 ARG 22 5.299 -10.387 -1.407 149 1HH2 ARG 22 1HH2 ARG 22 6.974 -8.010 -3.319 150 2HH2 ARG 22 2HH2 ARG 22 5.929 -9.390 -3.363 151 H ARG 23 H ARG 23 4.908 -4.462 2.776 152 HA ARG 23 HA ARG 23 4.977 -5.860 5.343 153 1HB ARG 23 1HB ARG 23 6.771 -4.293 4.555 154 2HB ARG 23 2HB ARG 23 5.623 -2.971 4.579 155 1HG ARG 23 1HG ARG 23 5.362 -3.237 7.059 156 2HG ARG 23 2HG ARG 23 6.502 -4.571 7.031 157 1HD ARG 23 1HD ARG 23 7.094 -1.695 6.190 158 2HD ARG 23 2HD ARG 23 7.602 -2.443 7.703 159 HE ARG 23 HE ARG 23 8.572 -4.111 5.668 160 1HH1 ARG 23 1HH1 ARG 23 8.917 -0.813 6.678 161 2HH1 ARG 23 2HH1 ARG 23 10.532 -0.678 6.073 162 1HH2 ARG 23 1HH2 ARG 23 10.617 -3.962 4.898 163 2HH2 ARG 23 2HH2 ARG 23 11.512 -2.487 5.051 164 H GLY 24 H GLY 24 2.619 -4.369 3.616 165 1HA GLY 24 1HA GLY 24 0.392 -3.933 4.226 166 2HA GLY 24 2HA GLY 24 0.837 -4.087 5.928 167 H LYS 25 H LYS 25 2.886 -2.115 4.060 168 HA LYS 25 HA LYS 25 1.622 0.383 5.153 169 1HB LYS 25 1HB LYS 25 4.544 0.011 4.377 170 2HB LYS 25 2HB LYS 25 3.839 1.363 5.215 171 1HG LYS 25 1HG LYS 25 3.961 -1.436 6.375 172 2HG LYS 25 2HG LYS 25 5.050 -0.129 6.790 173 1HD LYS 25 1HD LYS 25 3.162 1.223 7.652 174 2HD LYS 25 2HD LYS 25 2.022 -0.024 7.194 175 1HE LYS 25 1HE LYS 25 4.269 -0.368 9.218 176 2HE LYS 25 2HE LYS 25 2.562 -0.184 9.595 177 1HZ LYS 25 1HZ LYS 25 2.270 -2.193 8.060 178 2HZ LYS 25 2HZ LYS 25 3.931 -2.442 8.309 179 3HZ LYS 25 3HZ LYS 25 2.867 -2.442 9.632 180 H CYS 26 H CYS 26 1.901 2.257 3.754 181 HA CYS 26 HA CYS 26 1.324 1.547 0.982 182 1HB CYS 26 1HB CYS 26 1.442 4.175 2.402 183 2HB CYS 26 2HB CYS 26 0.994 4.024 0.721 184 1HN NH2 27 1HT NH2 27 2.279 2.802 -0.876 185 2HN NH2 27 2HT NH2 27 3.957 3.031 -0.904 Start of MODEL 14 1 1H CYS 1 1H CYS 1 -8.153 8.098 1.022 2 2H CYS 1 2H CYS 1 -9.053 6.896 0.226 3 3H CYS 1 3H CYS 1 -8.792 6.794 1.902 4 HA CYS 1 HA CYS 1 -7.344 5.253 0.851 5 1HB CYS 1 1HB CYS 1 -5.689 6.002 -0.791 6 2HB CYS 1 2HB CYS 1 -7.298 6.305 -1.379 7 H LYS 2 H LYS 2 -5.315 4.874 1.623 8 HA LYS 2 HA LYS 2 -4.421 6.644 3.807 9 1HB LYS 2 1HB LYS 2 -3.764 3.781 3.011 10 2HB LYS 2 2HB LYS 2 -2.952 4.595 4.320 11 1HG LYS 2 1HG LYS 2 -4.789 3.174 5.128 12 2HG LYS 2 2HG LYS 2 -5.006 4.853 5.568 13 1HD LYS 2 1HD LYS 2 -6.694 5.149 3.835 14 2HD LYS 2 2HD LYS 2 -6.421 3.543 3.197 15 1HE LYS 2 1HE LYS 2 -7.189 2.657 5.475 16 2HE LYS 2 2HE LYS 2 -7.507 4.320 5.945 17 1HZ LYS 2 1HZ LYS 2 -8.872 4.332 3.757 18 2HZ LYS 2 2HZ LYS 2 -8.891 2.650 3.986 19 3HZ LYS 2 3HZ LYS 2 -9.527 3.675 5.181 20 H GLY 3 H GLY 3 -2.731 7.889 3.673 21 1HA GLY 3 1HA GLY 3 -1.312 8.498 1.326 22 2HA GLY 3 2HA GLY 3 -0.789 8.940 2.941 23 H LYS 4 H LYS 4 1.186 8.597 1.362 24 HA LYS 4 HA LYS 4 2.172 5.986 0.859 25 1HB LYS 4 1HB LYS 4 3.089 8.066 -0.177 26 2HB LYS 4 2HB LYS 4 3.714 8.572 1.377 27 1HG LYS 4 1HG LYS 4 5.519 7.593 0.035 28 2HG LYS 4 2HG LYS 4 5.219 6.577 1.428 29 1HD LYS 4 1HD LYS 4 3.841 5.046 0.008 30 2HD LYS 4 2HD LYS 4 4.125 6.078 -1.383 31 1HE LYS 4 1HE LYS 4 6.581 5.643 -1.165 32 2HE LYS 4 2HE LYS 4 6.261 4.601 0.217 33 1HZ LYS 4 1HZ LYS 4 4.694 3.953 -2.096 34 2HZ LYS 4 2HZ LYS 4 6.366 3.801 -2.346 35 3HZ LYS 4 3HZ LYS 4 5.612 2.951 -1.082 36 H GLY 5 H GLY 5 3.265 4.552 2.045 37 1HA GLY 5 1HA GLY 5 4.254 3.487 3.859 38 2HA GLY 5 2HA GLY 5 4.672 5.067 4.496 39 H ALA 6 H ALA 6 1.339 4.639 3.916 40 HA ALA 6 HA ALA 6 0.817 4.519 6.830 41 1HB ALA 6 1HB ALA 6 -1.003 5.107 4.479 42 2HB ALA 6 2HB ALA 6 -1.480 5.246 6.161 43 3HB ALA 6 3HB ALA 6 -0.247 6.310 5.509 44 HA PRO 7 HA PRO 7 -0.320 0.322 6.899 45 1HB PRO 7 1HB PRO 7 -2.673 0.423 8.503 46 2HB PRO 7 2HB PRO 7 -1.018 0.182 9.031 47 1HG PRO 7 1HG PRO 7 -2.680 2.577 9.259 48 2HG PRO 7 2HG PRO 7 -1.163 2.205 10.063 49 1HD PRO 7 1HD PRO 7 -1.535 4.049 7.927 50 2HD PRO 7 2HD PRO 7 0.017 3.493 8.575 51 H CYS 8 H CYS 8 -0.848 -0.340 4.946 52 HA CYS 8 HA CYS 8 -3.687 -0.182 4.021 53 1HB CYS 8 1HB CYS 8 -2.675 -0.470 1.761 54 2HB CYS 8 2HB CYS 8 -2.347 1.030 2.533 55 H ARG 9 H ARG 9 -4.058 -1.748 2.245 56 HA ARG 9 HA ARG 9 -3.091 -4.485 2.758 57 1HB ARG 9 1HB ARG 9 -5.461 -5.355 2.619 58 2HB ARG 9 2HB ARG 9 -5.107 -4.497 4.087 59 1HG ARG 9 1HG ARG 9 -6.571 -3.193 1.750 60 2HG ARG 9 2HG ARG 9 -7.396 -4.059 3.022 61 1HD ARG 9 1HD ARG 9 -5.612 -1.617 3.477 62 2HD ARG 9 2HD ARG 9 -7.367 -1.636 3.507 63 HE ARG 9 HE ARG 9 -6.824 -3.558 5.322 64 1HH1 ARG 9 1HH1 ARG 9 -5.473 -0.395 4.885 65 2HH1 ARG 9 2HH1 ARG 9 -5.144 -0.189 6.571 66 1HH2 ARG 9 1HH2 ARG 9 -6.399 -3.315 7.447 67 2HH2 ARG 9 2HH2 ARG 9 -5.666 -1.862 8.038 68 H LYS 10 H LYS 10 -2.545 -5.309 1.053 69 HA LYS 10 HA LYS 10 -2.671 -4.256 -1.582 70 1HB LYS 10 1HB LYS 10 -2.288 -7.189 -0.817 71 2HB LYS 10 2HB LYS 10 -1.889 -6.486 -2.361 72 1HG LYS 10 1HG LYS 10 0.145 -6.837 -1.110 73 2HG LYS 10 2HG LYS 10 -0.118 -5.116 -1.280 74 1HD LYS 10 1HD LYS 10 -0.846 -4.906 1.022 75 2HD LYS 10 2HD LYS 10 -0.921 -6.655 1.232 76 1HE LYS 10 1HE LYS 10 1.544 -6.720 0.882 77 2HE LYS 10 2HE LYS 10 1.557 -4.975 0.673 78 1HZ LYS 10 1HZ LYS 10 0.530 -6.317 3.103 79 2HZ LYS 10 2HZ LYS 10 2.132 -5.780 2.936 80 3HZ LYS 10 3HZ LYS 10 0.855 -4.663 2.890 81 H THR 11 H THR 11 -4.669 -6.309 0.235 82 HA THR 11 HA THR 11 -6.292 -7.800 -1.311 83 HB THR 11 HB THR 11 -7.245 -5.877 0.896 84 HG1 THR 11 HG1 THR 11 -5.461 -7.262 1.340 85 1HG2 THR 11 1HG2 THR 11 -8.300 -8.641 0.030 86 2HG2 THR 11 2HG2 THR 11 -8.956 -7.638 1.314 87 3HG2 THR 11 3HG2 THR 11 -9.131 -7.144 -0.360 88 H MET 12 H MET 12 -6.361 -4.338 -1.111 89 HA MET 12 HA MET 12 -7.834 -4.158 -3.658 90 1HB MET 12 1HB MET 12 -9.539 -2.597 -2.680 91 2HB MET 12 2HB MET 12 -9.643 -4.186 -1.951 92 1HG MET 12 1HG MET 12 -8.309 -3.424 -0.027 93 2HG MET 12 2HG MET 12 -8.114 -1.850 -0.738 94 1HE MET 12 1HE MET 12 -10.204 -0.316 -1.337 95 2HE MET 12 2HE MET 12 -11.101 0.110 0.106 96 3HE MET 12 3HE MET 12 -9.345 0.112 0.162 97 H TYR 13 H TYR 13 -5.260 -3.374 -2.005 98 HA TYR 13 HA TYR 13 -3.720 -1.614 -1.957 99 1HB TYR 13 1HB TYR 13 -5.121 -1.062 -4.644 100 2HB TYR 13 2HB TYR 13 -3.586 -0.348 -4.156 101 HD1 TYR 13 HD1 TYR 13 -1.642 -1.887 -3.615 102 HD2 TYR 13 HD2 TYR 13 -5.199 -3.336 -5.459 103 HE1 TYR 13 HE1 TYR 13 -0.458 -3.914 -4.303 104 HE2 TYR 13 HE2 TYR 13 -4.010 -5.363 -6.148 105 HH TYR 13 HH TYR 13 -2.114 -6.508 -6.074 106 H ASP 14 H ASP 14 -4.882 -0.990 -0.216 107 HA ASP 14 HA ASP 14 -6.938 1.064 -0.271 108 1HB ASP 14 1HB ASP 14 -6.904 -0.725 1.364 109 2HB ASP 14 2HB ASP 14 -5.312 -0.265 1.908 110 H CYS 15 H CYS 15 -4.075 1.478 -1.235 111 HA CYS 15 HA CYS 15 -3.384 3.903 0.368 112 1HB CYS 15 1HB CYS 15 -1.737 2.514 -1.713 113 2HB CYS 15 2HB CYS 15 -1.228 3.797 -0.639 114 H CYS 16 H CYS 16 -2.834 5.846 -0.588 115 HA CYS 16 HA CYS 16 -4.432 6.634 -2.859 116 1HB CYS 16 1HB CYS 16 -2.168 8.083 -1.441 117 2HB CYS 16 2HB CYS 16 -3.352 8.813 -2.484 118 H SER 17 H SER 17 -1.182 5.739 -2.158 119 HA SER 17 HA SER 17 0.117 6.496 -4.597 120 1HB SER 17 1HB SER 17 1.379 5.983 -2.489 121 2HB SER 17 2HB SER 17 0.846 4.297 -2.580 122 HG SER 17 HG SER 17 2.205 3.955 -4.136 123 H GLY 18 H GLY 18 -1.988 3.936 -3.734 124 1HA GLY 18 1HA GLY 18 -3.071 2.413 -5.161 125 2HA GLY 18 2HA GLY 18 -1.988 2.887 -6.466 126 H SER 19 H SER 19 0.229 2.391 -4.374 127 HA SER 19 HA SER 19 0.395 -0.576 -4.720 128 1HB SER 19 1HB SER 19 2.897 -0.198 -4.881 129 2HB SER 19 2HB SER 19 2.034 0.663 -6.162 130 HG SER 19 HG SER 19 3.012 1.669 -3.710 131 H CYS 20 H CYS 20 0.457 -1.661 -2.881 132 HA CYS 20 HA CYS 20 1.164 -0.202 -0.374 133 1HB CYS 20 1HB CYS 20 -1.102 -0.872 -0.359 134 2HB CYS 20 2HB CYS 20 -0.770 -2.497 -0.823 135 H GLY 21 H GLY 21 2.947 -0.646 0.466 136 1HA GLY 21 1HA GLY 21 4.847 -2.584 -0.218 137 2HA GLY 21 2HA GLY 21 4.832 -1.704 1.306 138 H ARG 22 H ARG 22 5.417 -4.427 0.514 139 HA ARG 22 HA ARG 22 3.577 -6.366 1.497 140 1HB ARG 22 1HB ARG 22 5.391 -7.956 1.359 141 2HB ARG 22 2HB ARG 22 5.469 -6.894 -0.021 142 1HG ARG 22 1HG ARG 22 7.244 -6.726 2.457 143 2HG ARG 22 2HG ARG 22 7.722 -7.339 0.899 144 1HD ARG 22 1HD ARG 22 7.004 -4.434 1.527 145 2HD ARG 22 2HD ARG 22 8.589 -5.070 1.165 146 HE ARG 22 HE ARG 22 6.505 -4.491 -0.780 147 1HH1 ARG 22 1HH1 ARG 22 9.322 -6.392 -0.091 148 2HH1 ARG 22 2HH1 ARG 22 9.700 -6.638 -1.762 149 1HH2 ARG 22 1HH2 ARG 22 6.967 -4.792 -2.896 150 2HH2 ARG 22 2HH2 ARG 22 8.349 -5.721 -3.373 151 H ARG 23 H ARG 23 5.579 -4.245 3.205 152 HA ARG 23 HA ARG 23 5.896 -5.908 5.590 153 1HB ARG 23 1HB ARG 23 7.573 -4.244 4.873 154 2HB ARG 23 2HB ARG 23 6.398 -2.961 4.955 155 1HG ARG 23 1HG ARG 23 7.179 -4.547 7.424 156 2HG ARG 23 2HG ARG 23 8.140 -3.191 6.882 157 1HD ARG 23 1HD ARG 23 5.169 -2.999 7.639 158 2HD ARG 23 2HD ARG 23 6.513 -2.493 8.634 159 HE ARG 23 HE ARG 23 5.511 -1.154 6.226 160 1HH1 ARG 23 1HH1 ARG 23 8.142 -1.523 8.461 161 2HH1 ARG 23 2HH1 ARG 23 8.820 0.023 8.081 162 1HH2 ARG 23 1HH2 ARG 23 6.362 0.799 5.735 163 2HH2 ARG 23 2HH2 ARG 23 7.805 1.354 6.519 164 H GLY 24 H GLY 24 3.562 -3.827 4.228 165 1HA GLY 24 1HA GLY 24 1.239 -4.122 5.094 166 2HA GLY 24 2HA GLY 24 1.888 -3.904 6.713 167 H LYS 25 H LYS 25 3.449 -1.896 4.517 168 HA LYS 25 HA LYS 25 1.622 0.391 5.229 169 1HB LYS 25 1HB LYS 25 4.644 0.419 4.887 170 2HB LYS 25 2HB LYS 25 3.667 1.820 5.232 171 1HG LYS 25 1HG LYS 25 3.883 -0.596 7.078 172 2HG LYS 25 2HG LYS 25 4.737 0.920 7.299 173 1HD LYS 25 1HD LYS 25 2.573 2.113 7.547 174 2HD LYS 25 2HD LYS 25 1.704 0.623 7.276 175 1HE LYS 25 1HE LYS 25 1.877 1.109 9.693 176 2HE LYS 25 2HE LYS 25 2.758 -0.361 9.307 177 1HZ LYS 25 1HZ LYS 25 4.062 2.287 9.408 178 2HZ LYS 25 2HZ LYS 25 3.919 1.282 10.771 179 3HZ LYS 25 3HZ LYS 25 4.793 0.754 9.414 180 H CYS 26 H CYS 26 1.839 2.212 3.746 181 HA CYS 26 HA CYS 26 1.448 1.251 1.037 182 1HB CYS 26 1HB CYS 26 1.308 4.006 2.201 183 2HB CYS 26 2HB CYS 26 0.866 3.575 0.573 184 1HN NH2 27 1HT NH2 27 2.220 2.554 -0.866 185 2HN NH2 27 2HT NH2 27 3.869 2.911 -0.964 Start of MODEL 15 1 1H CYS 1 1H CYS 1 -8.271 7.899 1.341 2 2H CYS 1 2H CYS 1 -9.172 6.648 0.628 3 3H CYS 1 3H CYS 1 -8.752 6.563 2.272 4 HA CYS 1 HA CYS 1 -7.329 5.105 1.058 5 1HB CYS 1 1HB CYS 1 -5.874 5.975 -0.698 6 2HB CYS 1 2HB CYS 1 -7.541 6.207 -1.129 7 H LYS 2 H LYS 2 -5.215 4.822 1.650 8 HA LYS 2 HA LYS 2 -4.224 6.658 3.754 9 1HB LYS 2 1HB LYS 2 -3.616 3.756 3.077 10 2HB LYS 2 2HB LYS 2 -2.764 4.634 4.320 11 1HG LYS 2 1HG LYS 2 -4.542 3.253 5.292 12 2HG LYS 2 2HG LYS 2 -4.823 4.951 5.602 13 1HD LYS 2 1HD LYS 2 -6.566 5.030 3.886 14 2HD LYS 2 2HD LYS 2 -6.222 3.389 3.382 15 1HE LYS 2 1HE LYS 2 -8.210 3.486 4.855 16 2HE LYS 2 2HE LYS 2 -6.924 2.637 5.698 17 1HZ LYS 2 1HZ LYS 2 -7.352 5.541 6.006 18 2HZ LYS 2 2HZ LYS 2 -8.147 4.397 6.977 19 3HZ LYS 2 3HZ LYS 2 -6.452 4.497 6.997 20 H GLY 3 H GLY 3 -2.566 7.928 3.417 21 1HA GLY 3 1HA GLY 3 -1.172 8.210 0.951 22 2HA GLY 3 2HA GLY 3 -0.671 8.929 2.477 23 H LYS 4 H LYS 4 1.332 8.177 0.845 24 HA LYS 4 HA LYS 4 2.266 5.550 0.885 25 1HB LYS 4 1HB LYS 4 4.463 6.530 0.512 26 2HB LYS 4 2HB LYS 4 3.233 7.249 -0.501 27 1HG LYS 4 1HG LYS 4 3.076 9.192 1.069 28 2HG LYS 4 2HG LYS 4 4.342 8.498 2.058 29 1HD LYS 4 1HD LYS 4 4.632 9.273 -0.867 30 2HD LYS 4 2HD LYS 4 5.207 10.230 0.484 31 1HE LYS 4 1HE LYS 4 6.201 7.433 -0.274 32 2HE LYS 4 2HE LYS 4 7.067 8.944 -0.483 33 1HZ LYS 4 1HZ LYS 4 6.841 9.243 1.978 34 2HZ LYS 4 2HZ LYS 4 6.331 7.623 2.048 35 3HZ LYS 4 3HZ LYS 4 7.882 8.001 1.464 36 H GLY 5 H GLY 5 3.369 4.303 2.201 37 1HA GLY 5 1HA GLY 5 4.458 3.456 4.067 38 2HA GLY 5 2HA GLY 5 4.767 5.094 4.603 39 H ALA 6 H ALA 6 1.511 4.874 4.094 40 HA ALA 6 HA ALA 6 0.972 4.645 6.982 41 1HB ALA 6 1HB ALA 6 -0.060 6.475 5.681 42 2HB ALA 6 2HB ALA 6 -0.860 5.299 4.653 43 3HB ALA 6 3HB ALA 6 -1.312 5.439 6.336 44 HA PRO 7 HA PRO 7 -0.226 0.508 7.044 45 1HB PRO 7 1HB PRO 7 -2.465 0.541 8.765 46 2HB PRO 7 2HB PRO 7 -0.774 0.458 9.225 47 1HG PRO 7 1HG PRO 7 -2.618 2.753 9.347 48 2HG PRO 7 2HG PRO 7 -1.121 2.485 10.226 49 1HD PRO 7 1HD PRO 7 -1.467 4.243 8.039 50 2HD PRO 7 2HD PRO 7 0.089 3.716 8.707 51 H CYS 8 H CYS 8 -0.820 0.131 4.955 52 HA CYS 8 HA CYS 8 -3.699 0.214 4.213 53 1HB CYS 8 1HB CYS 8 -2.776 -0.101 1.894 54 2HB CYS 8 2HB CYS 8 -2.371 1.376 2.656 55 H ARG 9 H ARG 9 -3.848 -1.445 2.260 56 HA ARG 9 HA ARG 9 -3.039 -4.190 2.982 57 1HB ARG 9 1HB ARG 9 -5.937 -3.320 2.426 58 2HB ARG 9 2HB ARG 9 -5.406 -4.960 2.748 59 1HG ARG 9 1HG ARG 9 -4.764 -4.334 5.049 60 2HG ARG 9 2HG ARG 9 -5.209 -2.666 4.747 61 1HD ARG 9 1HD ARG 9 -7.122 -5.043 4.617 62 2HD ARG 9 2HD ARG 9 -7.062 -3.858 5.915 63 HE ARG 9 HE ARG 9 -8.324 -3.506 3.336 64 1HH1 ARG 9 1HH1 ARG 9 -6.644 -1.845 5.877 65 2HH1 ARG 9 2HH1 ARG 9 -7.371 -0.318 5.506 66 1HH2 ARG 9 1HH2 ARG 9 -9.256 -1.590 2.861 67 2HH2 ARG 9 2HH2 ARG 9 -8.871 -0.171 3.778 68 H LYS 10 H LYS 10 -1.909 -4.477 1.270 69 HA LYS 10 HA LYS 10 -2.272 -3.390 -1.335 70 1HB LYS 10 1HB LYS 10 -0.590 -5.076 -1.955 71 2HB LYS 10 2HB LYS 10 -0.173 -4.365 -0.403 72 1HG LYS 10 1HG LYS 10 -1.393 -6.327 0.725 73 2HG LYS 10 2HG LYS 10 -1.515 -7.069 -0.857 74 1HD LYS 10 1HD LYS 10 1.015 -6.311 0.596 75 2HD LYS 10 2HD LYS 10 0.406 -7.938 0.353 76 1HE LYS 10 1HE LYS 10 1.328 -6.045 -1.841 77 2HE LYS 10 2HE LYS 10 2.203 -7.445 -1.242 78 1HZ LYS 10 1HZ LYS 10 0.199 -8.778 -1.900 79 2HZ LYS 10 2HZ LYS 10 -0.346 -7.402 -2.733 80 3HZ LYS 10 3HZ LYS 10 1.118 -8.140 -3.177 81 H THR 11 H THR 11 -3.702 -5.902 0.340 82 HA THR 11 HA THR 11 -4.672 -7.803 -1.372 83 HB THR 11 HB THR 11 -6.119 -6.355 0.913 84 HG1 THR 11 HG1 THR 11 -4.354 -8.569 0.672 85 1HG2 THR 11 1HG2 THR 11 -6.419 -9.253 -0.132 86 2HG2 THR 11 2HG2 THR 11 -7.307 -8.551 1.212 87 3HG2 THR 11 3HG2 THR 11 -7.621 -8.007 -0.426 88 H MET 12 H MET 12 -5.710 -4.589 -0.927 89 HA MET 12 HA MET 12 -7.345 -4.597 -3.407 90 1HB MET 12 1HB MET 12 -9.116 -3.278 -2.197 91 2HB MET 12 2HB MET 12 -8.934 -4.894 -1.544 92 1HG MET 12 1HG MET 12 -7.508 -4.036 0.269 93 2HG MET 12 2HG MET 12 -7.586 -2.423 -0.371 94 1HE MET 12 1HE MET 12 -9.978 -1.171 -0.668 95 2HE MET 12 2HE MET 12 -10.674 -0.902 0.919 96 3HE MET 12 3HE MET 12 -8.947 -0.681 0.698 97 H TYR 13 H TYR 13 -4.787 -3.407 -1.911 98 HA TYR 13 HA TYR 13 -3.513 -1.461 -1.996 99 1HB TYR 13 1HB TYR 13 -5.110 -1.181 -4.608 100 2HB TYR 13 2HB TYR 13 -3.633 -0.294 -4.240 101 HD1 TYR 13 HD1 TYR 13 -1.564 -1.726 -3.539 102 HD2 TYR 13 HD2 TYR 13 -4.937 -3.354 -5.572 103 HE1 TYR 13 HE1 TYR 13 -0.215 -3.642 -4.240 104 HE2 TYR 13 HE2 TYR 13 -3.583 -5.270 -6.271 105 HH TYR 13 HH TYR 13 -0.991 -5.650 -6.654 106 H ASP 14 H ASP 14 -4.706 -0.966 -0.208 107 HA ASP 14 HA ASP 14 -6.916 0.916 -0.184 108 1HB ASP 14 1HB ASP 14 -6.755 -0.867 1.440 109 2HB ASP 14 2HB ASP 14 -5.170 -0.426 1.935 110 H CYS 15 H CYS 15 -4.096 1.527 -1.226 111 HA CYS 15 HA CYS 15 -3.525 3.985 0.367 112 1HB CYS 15 1HB CYS 15 -1.849 2.633 -1.717 113 2HB CYS 15 2HB CYS 15 -1.358 3.984 -0.723 114 H CYS 16 H CYS 16 -3.153 5.961 -0.576 115 HA CYS 16 HA CYS 16 -4.860 6.672 -2.773 116 1HB CYS 16 1HB CYS 16 -2.538 8.204 -1.543 117 2HB CYS 16 2HB CYS 16 -3.828 8.883 -2.492 118 H SER 17 H SER 17 -1.549 5.916 -2.266 119 HA SER 17 HA SER 17 -0.534 6.567 -4.903 120 1HB SER 17 1HB SER 17 0.914 6.520 -2.822 121 2HB SER 17 2HB SER 17 0.659 4.775 -2.724 122 HG SER 17 HG SER 17 1.757 6.204 -4.909 123 H GLY 18 H GLY 18 -2.035 3.890 -3.341 124 1HA GLY 18 1HA GLY 18 -2.929 1.915 -4.170 125 2HA GLY 18 2HA GLY 18 -2.523 2.461 -5.794 126 H SER 19 H SER 19 0.224 2.611 -3.989 127 HA SER 19 HA SER 19 1.180 -0.060 -4.930 128 1HB SER 19 1HB SER 19 3.454 1.066 -4.931 129 2HB SER 19 2HB SER 19 2.306 1.927 -5.967 130 HG SER 19 HG SER 19 1.792 3.182 -4.042 131 H CYS 20 H CYS 20 -0.028 -0.657 -2.874 132 HA CYS 20 HA CYS 20 1.406 -0.121 -0.373 133 1HB CYS 20 1HB CYS 20 -1.031 -0.264 -0.391 134 2HB CYS 20 2HB CYS 20 -0.989 -1.876 -0.982 135 H GLY 21 H GLY 21 2.919 -1.270 0.454 136 1HA GLY 21 1HA GLY 21 4.014 -3.630 -0.820 137 2HA GLY 21 2HA GLY 21 4.645 -2.820 0.601 138 H ARG 22 H ARG 22 4.846 -5.311 0.564 139 HA ARG 22 HA ARG 22 2.723 -6.935 1.679 140 1HB ARG 22 1HB ARG 22 4.392 -8.678 1.901 141 2HB ARG 22 2HB ARG 22 4.639 -7.888 0.368 142 1HG ARG 22 1HG ARG 22 6.311 -7.467 2.889 143 2HG ARG 22 2HG ARG 22 6.797 -8.359 1.469 144 1HD ARG 22 1HD ARG 22 6.338 -5.350 1.623 145 2HD ARG 22 2HD ARG 22 7.866 -6.182 1.421 146 HE ARG 22 HE ARG 22 6.497 -7.139 -0.716 147 1HH1 ARG 22 1HH1 ARG 22 6.943 -3.935 0.537 148 2HH1 ARG 22 2HH1 ARG 22 6.815 -3.190 -1.020 149 1HH2 ARG 22 1HH2 ARG 22 6.336 -6.212 -2.694 150 2HH2 ARG 22 2HH2 ARG 22 6.469 -4.495 -2.875 151 H ARG 23 H ARG 23 4.916 -4.721 2.944 152 HA ARG 23 HA ARG 23 5.026 -5.764 5.669 153 1HB ARG 23 1HB ARG 23 6.187 -3.601 6.136 154 2HB ARG 23 2HB ARG 23 6.878 -4.422 4.750 155 1HG ARG 23 1HG ARG 23 5.532 -2.955 3.213 156 2HG ARG 23 2HG ARG 23 4.836 -2.150 4.603 157 1HD ARG 23 1HD ARG 23 6.723 -0.836 3.664 158 2HD ARG 23 2HD ARG 23 7.116 -1.391 5.291 159 HE ARG 23 HE ARG 23 7.984 -3.305 3.315 160 1HH1 ARG 23 1HH1 ARG 23 8.744 -0.230 4.724 161 2HH1 ARG 23 2HH1 ARG 23 10.438 -0.373 4.394 162 1HH2 ARG 23 1HH2 ARG 23 10.118 -3.505 2.889 163 2HH2 ARG 23 2HH2 ARG 23 11.230 -2.255 3.339 164 H GLY 24 H GLY 24 2.613 -4.520 3.900 165 1HA GLY 24 1HA GLY 24 0.466 -3.842 4.493 166 2HA GLY 24 2HA GLY 24 0.946 -3.894 6.187 167 H LYS 25 H LYS 25 2.909 -2.080 4.005 168 HA LYS 25 HA LYS 25 1.677 0.485 5.009 169 1HB LYS 25 1HB LYS 25 4.617 0.089 4.317 170 2HB LYS 25 2HB LYS 25 3.886 1.498 5.021 171 1HG LYS 25 1HG LYS 25 3.986 -1.185 6.437 172 2HG LYS 25 2HG LYS 25 5.071 0.154 6.744 173 1HD LYS 25 1HD LYS 25 3.203 1.577 7.468 174 2HD LYS 25 2HD LYS 25 2.034 0.335 7.076 175 1HE LYS 25 1HE LYS 25 4.238 0.086 9.163 176 2HE LYS 25 2HE LYS 25 2.530 0.335 9.499 177 1HZ LYS 25 1HZ LYS 25 2.312 -1.787 8.010 178 2HZ LYS 25 2HZ LYS 25 3.905 -2.052 8.532 179 3HZ LYS 25 3HZ LYS 25 2.653 -1.902 9.670 180 H CYS 26 H CYS 26 1.926 2.253 3.600 181 HA CYS 26 HA CYS 26 1.453 1.487 0.815 182 1HB CYS 26 1HB CYS 26 1.389 4.120 2.228 183 2HB CYS 26 2HB CYS 26 0.929 3.901 0.555 184 1HN NH2 27 1HT NH2 27 2.372 3.227 -0.883 185 2HN NH2 27 2HT NH2 27 4.058 3.384 -0.867 Start of MODEL 16 1 1H CYS 1 1H CYS 1 -7.966 8.061 1.270 2 2H CYS 1 2H CYS 1 -8.944 6.871 0.553 3 3H CYS 1 3H CYS 1 -8.551 6.768 2.204 4 HA CYS 1 HA CYS 1 -7.228 5.204 1.007 5 1HB CYS 1 1HB CYS 1 -5.658 5.969 -0.708 6 2HB CYS 1 2HB CYS 1 -7.294 6.309 -1.191 7 H LYS 2 H LYS 2 -5.246 4.726 1.761 8 HA LYS 2 HA LYS 2 -4.165 6.378 3.924 9 1HB LYS 2 1HB LYS 2 -3.615 3.608 2.862 10 2HB LYS 2 2HB LYS 2 -2.580 4.305 4.057 11 1HG LYS 2 1HG LYS 2 -4.310 2.781 4.965 12 2HG LYS 2 2HG LYS 2 -4.284 4.352 5.709 13 1HD LYS 2 1HD LYS 2 -6.284 3.664 3.527 14 2HD LYS 2 2HD LYS 2 -6.553 3.257 5.206 15 1HE LYS 2 1HE LYS 2 -6.153 6.125 4.238 16 2HE LYS 2 2HE LYS 2 -7.681 5.372 4.609 17 1HZ LYS 2 1HZ LYS 2 -6.633 4.877 6.845 18 2HZ LYS 2 2HZ LYS 2 -5.442 6.007 6.406 19 3HZ LYS 2 3HZ LYS 2 -7.069 6.484 6.511 20 H GLY 3 H GLY 3 -2.547 7.612 3.839 21 1HA GLY 3 1HA GLY 3 -1.215 8.415 1.446 22 2HA GLY 3 2HA GLY 3 -0.676 8.829 3.068 23 H LYS 4 H LYS 4 1.263 8.443 1.277 24 HA LYS 4 HA LYS 4 2.196 5.759 0.912 25 1HB LYS 4 1HB LYS 4 2.918 7.782 -0.374 26 2HB LYS 4 2HB LYS 4 3.774 8.370 1.024 27 1HG LYS 4 1HG LYS 4 4.370 5.767 -0.442 28 2HG LYS 4 2HG LYS 4 5.247 7.253 -0.691 29 1HD LYS 4 1HD LYS 4 5.253 5.560 1.859 30 2HD LYS 4 2HD LYS 4 6.537 5.749 0.708 31 1HE LYS 4 1HE LYS 4 5.457 8.053 2.378 32 2HE LYS 4 2HE LYS 4 6.941 7.172 2.687 33 1HZ LYS 4 1HZ LYS 4 7.684 7.822 0.443 34 2HZ LYS 4 2HZ LYS 4 6.309 8.808 0.307 35 3HZ LYS 4 3HZ LYS 4 7.469 9.129 1.506 36 H GLY 5 H GLY 5 3.027 4.413 2.329 37 1HA GLY 5 1HA GLY 5 4.374 3.645 4.111 38 2HA GLY 5 2HA GLY 5 4.566 5.294 4.681 39 H ALA 6 H ALA 6 1.361 4.801 4.068 40 HA ALA 6 HA ALA 6 0.745 4.450 6.949 41 1HB ALA 6 1HB ALA 6 -0.980 5.319 4.610 42 2HB ALA 6 2HB ALA 6 -1.513 5.315 6.276 43 3HB ALA 6 3HB ALA 6 -0.215 6.379 5.773 44 HA PRO 7 HA PRO 7 -0.392 0.335 6.787 45 1HB PRO 7 1HB PRO 7 -2.699 0.221 8.388 46 2HB PRO 7 2HB PRO 7 -1.033 0.212 8.935 47 1HG PRO 7 1HG PRO 7 -2.994 2.423 8.975 48 2HG PRO 7 2HG PRO 7 -1.565 2.184 9.973 49 1HD PRO 7 1HD PRO 7 -1.780 4.001 7.829 50 2HD PRO 7 2HD PRO 7 -0.264 3.469 8.573 51 H CYS 8 H CYS 8 -0.881 -0.157 4.720 52 HA CYS 8 HA CYS 8 -3.671 0.026 3.737 53 1HB CYS 8 1HB CYS 8 -2.582 -0.535 1.563 54 2HB CYS 8 2HB CYS 8 -2.160 0.962 2.282 55 H ARG 9 H ARG 9 -3.994 -1.651 1.946 56 HA ARG 9 HA ARG 9 -3.543 -4.436 2.847 57 1HB ARG 9 1HB ARG 9 -6.268 -3.283 2.078 58 2HB ARG 9 2HB ARG 9 -5.944 -4.952 2.506 59 1HG ARG 9 1HG ARG 9 -5.278 -4.234 4.796 60 2HG ARG 9 2HG ARG 9 -5.620 -2.565 4.366 61 1HD ARG 9 1HD ARG 9 -7.668 -4.827 4.332 62 2HD ARG 9 2HD ARG 9 -7.562 -3.581 5.564 63 HE ARG 9 HE ARG 9 -8.693 -3.283 2.900 64 1HH1 ARG 9 1HH1 ARG 9 -7.148 -1.641 5.532 65 2HH1 ARG 9 2HH1 ARG 9 -7.816 -0.101 5.108 66 1HH2 ARG 9 1HH2 ARG 9 -9.552 -1.343 2.352 67 2HH2 ARG 9 2HH2 ARG 9 -9.196 0.070 3.287 68 H LYS 10 H LYS 10 -2.621 -5.324 1.146 69 HA LYS 10 HA LYS 10 -2.545 -4.286 -1.517 70 1HB LYS 10 1HB LYS 10 -2.271 -7.228 -0.726 71 2HB LYS 10 2HB LYS 10 -1.798 -6.551 -2.262 72 1HG LYS 10 1HG LYS 10 0.177 -6.928 -0.952 73 2HG LYS 10 2HG LYS 10 -0.053 -5.203 -1.126 74 1HD LYS 10 1HD LYS 10 -0.882 -5.011 1.163 75 2HD LYS 10 2HD LYS 10 -0.907 -6.763 1.355 76 1HE LYS 10 1HE LYS 10 1.565 -6.771 1.034 77 2HE LYS 10 2HE LYS 10 1.531 -5.028 0.810 78 1HZ LYS 10 1HZ LYS 10 0.654 -6.466 3.252 79 2HZ LYS 10 2HZ LYS 10 2.141 -5.664 3.065 80 3HZ LYS 10 3HZ LYS 10 0.690 -4.781 3.041 81 H THR 11 H THR 11 -4.603 -6.399 0.162 82 HA THR 11 HA THR 11 -6.183 -7.835 -1.454 83 HB THR 11 HB THR 11 -7.163 -5.988 0.797 84 HG1 THR 11 HG1 THR 11 -6.097 -8.619 0.616 85 1HG2 THR 11 1HG2 THR 11 -8.241 -8.709 -0.189 86 2HG2 THR 11 2HG2 THR 11 -8.902 -7.757 1.131 87 3HG2 THR 11 3HG2 THR 11 -9.054 -7.187 -0.521 88 H MET 12 H MET 12 -6.421 -4.389 -1.083 89 HA MET 12 HA MET 12 -7.894 -4.159 -3.638 90 1HB MET 12 1HB MET 12 -9.603 -2.671 -2.561 91 2HB MET 12 2HB MET 12 -9.637 -4.294 -1.904 92 1HG MET 12 1HG MET 12 -8.271 -3.586 0.020 93 2HG MET 12 2HG MET 12 -8.184 -1.964 -0.590 94 1HE MET 12 1HE MET 12 -9.744 -4.374 1.680 95 2HE MET 12 2HE MET 12 -11.435 -3.939 1.824 96 3HE MET 12 3HE MET 12 -10.880 -4.731 0.358 97 H TYR 13 H TYR 13 -5.298 -3.374 -2.063 98 HA TYR 13 HA TYR 13 -3.782 -1.601 -2.017 99 1HB TYR 13 1HB TYR 13 -5.277 -0.978 -4.633 100 2HB TYR 13 2HB TYR 13 -3.722 -0.283 -4.184 101 HD1 TYR 13 HD1 TYR 13 -1.768 -1.849 -3.746 102 HD2 TYR 13 HD2 TYR 13 -5.393 -3.216 -5.521 103 HE1 TYR 13 HE1 TYR 13 -0.620 -3.857 -4.546 104 HE2 TYR 13 HE2 TYR 13 -4.239 -5.222 -6.320 105 HH TYR 13 HH TYR 13 -1.702 -5.777 -6.896 106 H ASP 14 H ASP 14 -4.870 -1.015 -0.219 107 HA ASP 14 HA ASP 14 -6.906 1.054 -0.123 108 1HB ASP 14 1HB ASP 14 -6.832 -0.764 1.505 109 2HB ASP 14 2HB ASP 14 -5.207 -0.376 1.961 110 H CYS 15 H CYS 15 -4.131 1.456 -1.261 111 HA CYS 15 HA CYS 15 -3.232 3.819 0.326 112 1HB CYS 15 1HB CYS 15 -1.845 2.397 -1.911 113 2HB CYS 15 2HB CYS 15 -1.179 3.685 -0.940 114 H CYS 16 H CYS 16 -2.823 5.777 -0.568 115 HA CYS 16 HA CYS 16 -4.534 6.670 -2.703 116 1HB CYS 16 1HB CYS 16 -2.160 8.003 -1.350 117 2HB CYS 16 2HB CYS 16 -3.335 8.824 -2.327 118 H SER 17 H SER 17 -1.240 5.757 -2.257 119 HA SER 17 HA SER 17 -0.230 6.501 -4.870 120 1HB SER 17 1HB SER 17 1.255 6.281 -2.844 121 2HB SER 17 2HB SER 17 0.898 4.549 -2.788 122 HG SER 17 HG SER 17 1.835 4.270 -4.740 123 H GLY 18 H GLY 18 -1.971 3.893 -3.518 124 1HA GLY 18 1HA GLY 18 -3.023 2.084 -4.522 125 2HA GLY 18 2HA GLY 18 -2.369 2.600 -6.077 126 H SER 19 H SER 19 0.152 2.402 -4.004 127 HA SER 19 HA SER 19 0.795 -0.428 -4.739 128 1HB SER 19 1HB SER 19 3.203 0.387 -4.818 129 2HB SER 19 2HB SER 19 2.187 1.246 -5.984 130 HG SER 19 HG SER 19 1.836 2.807 -4.266 131 H CYS 20 H CYS 20 0.261 -1.469 -2.907 132 HA CYS 20 HA CYS 20 1.134 -0.374 -0.291 133 1HB CYS 20 1HB CYS 20 -1.161 -1.074 -0.477 134 2HB CYS 20 2HB CYS 20 -0.718 -2.665 -0.981 135 H GLY 21 H GLY 21 2.953 -0.893 0.436 136 1HA GLY 21 1HA GLY 21 4.714 -2.943 -0.461 137 2HA GLY 21 2HA GLY 21 4.923 -1.944 0.972 138 H ARG 22 H ARG 22 5.476 -4.672 0.566 139 HA ARG 22 HA ARG 22 3.696 -6.540 1.713 140 1HB ARG 22 1HB ARG 22 6.733 -6.530 1.718 141 2HB ARG 22 2HB ARG 22 5.745 -7.925 2.110 142 1HG ARG 22 1HG ARG 22 4.710 -7.831 -0.156 143 2HG ARG 22 2HG ARG 22 5.710 -6.445 -0.558 144 1HD ARG 22 1HD ARG 22 7.761 -7.793 -0.227 145 2HD ARG 22 2HD ARG 22 6.798 -9.196 0.219 146 HE ARG 22 HE ARG 22 7.227 -8.164 -2.477 147 1HH1 ARG 22 1HH1 ARG 22 5.122 -9.989 -0.410 148 2HH1 ARG 22 2HH1 ARG 22 4.426 -10.880 -1.720 149 1HH2 ARG 22 1HH2 ARG 22 6.355 -9.282 -4.147 150 2HH2 ARG 22 2HH2 ARG 22 5.130 -10.474 -3.864 151 H ARG 23 H ARG 23 5.674 -4.200 3.227 152 HA ARG 23 HA ARG 23 5.628 -5.442 5.876 153 1HB ARG 23 1HB ARG 23 6.723 -3.402 6.647 154 2HB ARG 23 2HB ARG 23 7.481 -3.929 5.174 155 1HG ARG 23 1HG ARG 23 5.520 -1.625 5.462 156 2HG ARG 23 2HG ARG 23 7.238 -1.481 5.205 157 1HD ARG 23 1HD ARG 23 5.180 -2.496 3.208 158 2HD ARG 23 2HD ARG 23 6.143 -1.034 3.127 159 HE ARG 23 HE ARG 23 7.617 -3.601 3.241 160 1HH1 ARG 23 1HH1 ARG 23 6.546 -0.879 1.354 161 2HH1 ARG 23 2HH1 ARG 23 7.680 -1.196 0.087 162 1HH2 ARG 23 1HH2 ARG 23 9.031 -3.997 1.655 163 2HH2 ARG 23 2HH2 ARG 23 9.103 -2.980 0.255 164 H GLY 24 H GLY 24 3.221 -4.335 4.121 165 1HA GLY 24 1HA GLY 24 1.008 -3.892 4.704 166 2HA GLY 24 2HA GLY 24 1.489 -3.798 6.391 167 H LYS 25 H LYS 25 3.351 -1.873 4.266 168 HA LYS 25 HA LYS 25 1.738 0.556 5.042 169 1HB LYS 25 1HB LYS 25 4.742 0.444 4.603 170 2HB LYS 25 2HB LYS 25 3.825 1.806 5.180 171 1HG LYS 25 1HG LYS 25 4.059 -0.810 6.714 172 2HG LYS 25 2HG LYS 25 4.969 0.642 7.069 173 1HD LYS 25 1HD LYS 25 2.891 1.863 7.590 174 2HD LYS 25 2HD LYS 25 1.913 0.485 7.139 175 1HE LYS 25 1HE LYS 25 3.951 0.543 9.404 176 2HE LYS 25 2HE LYS 25 2.204 0.589 9.592 177 1HZ LYS 25 1HZ LYS 25 2.304 -1.574 8.206 178 2HZ LYS 25 2HZ LYS 25 3.915 -1.631 8.736 179 3HZ LYS 25 3HZ LYS 25 2.649 -1.614 9.870 180 H CYS 26 H CYS 26 1.905 2.285 3.571 181 HA CYS 26 HA CYS 26 1.680 1.354 0.810 182 1HB CYS 26 1HB CYS 26 1.278 4.039 2.057 183 2HB CYS 26 2HB CYS 26 0.927 3.671 0.388 184 1HN NH2 27 1HT NH2 27 2.431 2.806 -0.999 185 2HN NH2 27 2HT NH2 27 4.051 3.290 -1.004 Start of MODEL 17 1 1H CYS 1 1H CYS 1 -8.914 6.196 1.951 2 2H CYS 1 2H CYS 1 -8.283 7.594 1.222 3 3H CYS 1 3H CYS 1 -9.150 6.467 0.290 4 HA CYS 1 HA CYS 1 -7.453 4.808 0.665 5 1HB CYS 1 1HB CYS 1 -5.702 5.870 -0.699 6 2HB CYS 1 2HB CYS 1 -7.285 6.210 -1.320 7 H LYS 2 H LYS 2 -4.986 4.777 0.991 8 HA LYS 2 HA LYS 2 -4.359 5.872 3.675 9 1HB LYS 2 1HB LYS 2 -4.744 3.363 3.442 10 2HB LYS 2 2HB LYS 2 -3.417 3.312 2.312 11 1HG LYS 2 1HG LYS 2 -2.446 2.644 4.310 12 2HG LYS 2 2HG LYS 2 -1.984 4.308 4.174 13 1HD LYS 2 1HD LYS 2 -4.150 3.143 5.930 14 2HD LYS 2 2HD LYS 2 -2.606 3.744 6.469 15 1HE LYS 2 1HE LYS 2 -4.181 5.372 7.148 16 2HE LYS 2 2HE LYS 2 -3.472 6.067 5.702 17 1HZ LYS 2 1HZ LYS 2 -5.520 4.634 4.705 18 2HZ LYS 2 2HZ LYS 2 -6.152 5.153 6.191 19 3HZ LYS 2 3HZ LYS 2 -5.578 6.292 5.072 20 H GLY 3 H GLY 3 -2.898 7.351 3.680 21 1HA GLY 3 1HA GLY 3 -1.381 8.264 1.485 22 2HA GLY 3 2HA GLY 3 -1.019 8.638 3.164 23 H LYS 4 H LYS 4 1.038 8.414 1.386 24 HA LYS 4 HA LYS 4 2.235 5.914 1.004 25 1HB LYS 4 1HB LYS 4 3.483 8.649 1.394 26 2HB LYS 4 2HB LYS 4 4.340 7.244 0.790 27 1HG LYS 4 1HG LYS 4 2.736 7.053 -1.094 28 2HG LYS 4 2HG LYS 4 1.862 8.460 -0.510 29 1HD LYS 4 1HD LYS 4 3.904 9.862 -0.787 30 2HD LYS 4 2HD LYS 4 4.790 8.466 -1.368 31 1HE LYS 4 1HE LYS 4 2.323 9.650 -2.720 32 2HE LYS 4 2HE LYS 4 3.981 9.876 -3.253 33 1HZ LYS 4 1HZ LYS 4 2.885 7.166 -2.934 34 2HZ LYS 4 2HZ LYS 4 2.580 8.066 -4.338 35 3HZ LYS 4 3HZ LYS 4 4.176 7.698 -3.895 36 H GLY 5 H GLY 5 3.375 4.576 2.141 37 1HA GLY 5 1HA GLY 5 4.494 3.517 3.874 38 2HA GLY 5 2HA GLY 5 4.939 5.096 4.484 39 H ALA 6 H ALA 6 1.614 4.857 4.193 40 HA ALA 6 HA ALA 6 1.325 4.509 7.125 41 1HB ALA 6 1HB ALA 6 0.322 6.501 6.064 42 2HB ALA 6 2HB ALA 6 -0.640 5.491 5.013 43 3HB ALA 6 3HB ALA 6 -0.948 5.495 6.731 44 HA PRO 7 HA PRO 7 -0.022 0.439 7.054 45 1HB PRO 7 1HB PRO 7 -2.211 0.468 8.836 46 2HB PRO 7 2HB PRO 7 -0.513 0.281 9.226 47 1HG PRO 7 1HG PRO 7 -2.238 2.639 9.553 48 2HG PRO 7 2HG PRO 7 -0.707 2.267 10.332 49 1HD PRO 7 1HD PRO 7 -1.105 4.149 8.268 50 2HD PRO 7 2HD PRO 7 0.460 3.537 8.824 51 H CYS 8 H CYS 8 -0.670 0.228 4.922 52 HA CYS 8 HA CYS 8 -3.556 0.345 4.290 53 1HB CYS 8 1HB CYS 8 -2.713 -0.181 1.962 54 2HB CYS 8 2HB CYS 8 -2.302 1.361 2.554 55 H ARG 9 H ARG 9 -4.217 -1.154 2.706 56 HA ARG 9 HA ARG 9 -3.676 -4.017 3.333 57 1HB ARG 9 1HB ARG 9 -6.351 -2.669 2.649 58 2HB ARG 9 2HB ARG 9 -6.106 -4.382 2.990 59 1HG ARG 9 1HG ARG 9 -5.363 -3.866 5.254 60 2HG ARG 9 2HG ARG 9 -5.550 -2.146 4.937 61 1HD ARG 9 1HD ARG 9 -7.838 -4.154 4.828 62 2HD ARG 9 2HD ARG 9 -7.509 -3.105 6.198 63 HE ARG 9 HE ARG 9 -8.774 -2.325 3.710 64 1HH1 ARG 9 1HH1 ARG 9 -6.755 -1.234 6.315 65 2HH1 ARG 9 2HH1 ARG 9 -7.218 0.422 6.128 66 1HH2 ARG 9 1HH2 ARG 9 -9.381 -0.230 3.472 67 2HH2 ARG 9 2HH2 ARG 9 -8.721 0.995 4.504 68 H LYS 10 H LYS 10 -2.264 -4.160 1.633 69 HA LYS 10 HA LYS 10 -2.581 -3.160 -1.006 70 1HB LYS 10 1HB LYS 10 -0.820 -4.747 -1.647 71 2HB LYS 10 2HB LYS 10 -0.428 -4.103 -0.074 72 1HG LYS 10 1HG LYS 10 -1.649 -6.839 -0.594 73 2HG LYS 10 2HG LYS 10 0.018 -6.520 -0.184 74 1HD LYS 10 1HD LYS 10 -0.711 -5.598 2.043 75 2HD LYS 10 2HD LYS 10 -2.369 -6.031 1.651 76 1HE LYS 10 1HE LYS 10 -0.104 -8.027 1.801 77 2HE LYS 10 2HE LYS 10 -1.349 -7.786 3.018 78 1HZ LYS 10 1HZ LYS 10 -2.663 -8.101 0.608 79 2HZ LYS 10 2HZ LYS 10 -1.462 -9.302 0.654 80 3HZ LYS 10 3HZ LYS 10 -2.601 -9.187 1.910 81 H THR 11 H THR 11 -3.993 -5.716 0.601 82 HA THR 11 HA THR 11 -4.753 -7.624 -1.245 83 HB THR 11 HB THR 11 -6.251 -6.446 1.144 84 HG1 THR 11 HG1 THR 11 -4.051 -7.281 1.277 85 1HG2 THR 11 1HG2 THR 11 -6.396 -9.278 -0.099 86 2HG2 THR 11 2HG2 THR 11 -7.294 -8.732 1.310 87 3HG2 THR 11 3HG2 THR 11 -7.689 -8.103 -0.279 88 H MET 12 H MET 12 -5.991 -4.444 -0.831 89 HA MET 12 HA MET 12 -7.725 -4.700 -3.230 90 1HB MET 12 1HB MET 12 -9.494 -3.335 -2.021 91 2HB MET 12 2HB MET 12 -9.244 -4.925 -1.330 92 1HG MET 12 1HG MET 12 -7.922 -2.401 -0.284 93 2HG MET 12 2HG MET 12 -9.364 -3.055 0.424 94 1HE MET 12 1HE MET 12 -9.518 -4.571 2.256 95 2HE MET 12 2HE MET 12 -9.329 -5.858 1.041 96 3HE MET 12 3HE MET 12 -8.413 -5.904 2.539 97 H TYR 13 H TYR 13 -5.068 -3.433 -2.454 98 HA TYR 13 HA TYR 13 -3.883 -1.448 -2.827 99 1HB TYR 13 1HB TYR 13 -6.101 -1.161 -4.929 100 2HB TYR 13 2HB TYR 13 -4.591 -0.259 -4.940 101 HD1 TYR 13 HD1 TYR 13 -2.423 -1.471 -5.244 102 HD2 TYR 13 HD2 TYR 13 -6.156 -3.491 -5.621 103 HE1 TYR 13 HE1 TYR 13 -1.304 -3.331 -6.376 104 HE2 TYR 13 HE2 TYR 13 -5.032 -5.350 -6.754 105 HH TYR 13 HH TYR 13 -2.486 -5.344 -8.221 106 H ASP 14 H ASP 14 -4.860 -1.080 -0.700 107 HA ASP 14 HA ASP 14 -6.962 0.895 -0.394 108 1HB ASP 14 1HB ASP 14 -6.668 -0.903 1.195 109 2HB ASP 14 2HB ASP 14 -5.030 -0.484 1.469 110 H CYS 15 H CYS 15 -3.834 1.338 -1.352 111 HA CYS 15 HA CYS 15 -3.381 3.806 0.217 112 1HB CYS 15 1HB CYS 15 -1.687 2.508 -1.881 113 2HB CYS 15 2HB CYS 15 -1.222 3.881 -0.910 114 H CYS 16 H CYS 16 -2.996 5.780 -0.597 115 HA CYS 16 HA CYS 16 -4.687 6.690 -2.723 116 1HB CYS 16 1HB CYS 16 -2.329 8.085 -1.396 117 2HB CYS 16 2HB CYS 16 -3.650 8.855 -2.231 118 H SER 17 H SER 17 -1.420 5.770 -2.316 119 HA SER 17 HA SER 17 -0.432 6.597 -4.937 120 1HB SER 17 1HB SER 17 1.016 6.549 -2.870 121 2HB SER 17 2HB SER 17 0.823 4.794 -2.807 122 HG SER 17 HG SER 17 1.692 4.652 -4.876 123 H GLY 18 H GLY 18 -1.893 3.850 -3.462 124 1HA GLY 18 1HA GLY 18 -2.684 1.840 -4.338 125 2HA GLY 18 2HA GLY 18 -2.358 2.482 -5.947 126 H SER 19 H SER 19 0.156 2.382 -3.622 127 HA SER 19 HA SER 19 1.408 -0.032 -4.871 128 1HB SER 19 1HB SER 19 3.611 1.227 -4.700 129 2HB SER 19 2HB SER 19 2.464 2.084 -5.740 130 HG SER 19 HG SER 19 3.125 2.577 -3.045 131 H CYS 20 H CYS 20 -0.020 -0.540 -2.792 132 HA CYS 20 HA CYS 20 1.323 -0.122 -0.253 133 1HB CYS 20 1HB CYS 20 -1.117 -0.383 -0.418 134 2HB CYS 20 2HB CYS 20 -0.921 -1.994 -0.990 135 H GLY 21 H GLY 21 3.091 -1.049 0.274 136 1HA GLY 21 1HA GLY 21 4.222 -3.404 -0.882 137 2HA GLY 21 2HA GLY 21 4.806 -2.583 0.557 138 H ARG 22 H ARG 22 5.016 -5.145 0.437 139 HA ARG 22 HA ARG 22 2.872 -6.730 1.530 140 1HB ARG 22 1HB ARG 22 4.538 -8.512 1.817 141 2HB ARG 22 2HB ARG 22 4.662 -7.795 0.237 142 1HG ARG 22 1HG ARG 22 6.533 -7.194 2.561 143 2HG ARG 22 2HG ARG 22 6.877 -8.324 1.277 144 1HD ARG 22 1HD ARG 22 6.592 -5.288 0.965 145 2HD ARG 22 2HD ARG 22 8.037 -6.244 0.801 146 HE ARG 22 HE ARG 22 5.936 -5.989 -1.197 147 1HH1 ARG 22 1HH1 ARG 22 8.551 -7.933 -0.004 148 2HH1 ARG 22 2HH1 ARG 22 8.812 -8.708 -1.529 149 1HH2 ARG 22 1HH2 ARG 22 6.253 -6.962 -3.128 150 2HH2 ARG 22 2HH2 ARG 22 7.494 -8.154 -3.322 151 H ARG 23 H ARG 23 5.080 -4.599 3.002 152 HA ARG 23 HA ARG 23 5.037 -5.880 5.644 153 1HB ARG 23 1HB ARG 23 6.021 -3.770 6.530 154 2HB ARG 23 2HB ARG 23 6.968 -4.356 5.207 155 1HG ARG 23 1HG ARG 23 4.823 -2.205 4.894 156 2HG ARG 23 2HG ARG 23 6.458 -1.808 5.336 157 1HD ARG 23 1HD ARG 23 5.720 -3.144 2.667 158 2HD ARG 23 2HD ARG 23 5.963 -1.443 2.927 159 HE ARG 23 HE ARG 23 8.263 -1.777 3.116 160 1HH1 ARG 23 1HH1 ARG 23 6.642 -4.838 3.151 161 2HH1 ARG 23 2HH1 ARG 23 8.110 -5.734 2.975 162 1HH2 ARG 23 1HH2 ARG 23 10.111 -2.884 2.889 163 2HH2 ARG 23 2HH2 ARG 23 10.100 -4.614 2.822 164 H GLY 24 H GLY 24 2.777 -4.400 3.821 165 1HA GLY 24 1HA GLY 24 0.562 -3.874 4.377 166 2HA GLY 24 2HA GLY 24 0.988 -3.910 6.085 167 H LYS 25 H LYS 25 3.007 -2.067 3.975 168 HA LYS 25 HA LYS 25 1.690 0.474 4.919 169 1HB LYS 25 1HB LYS 25 4.665 0.088 4.368 170 2HB LYS 25 2HB LYS 25 3.904 1.536 4.947 171 1HG LYS 25 1HG LYS 25 3.916 -1.054 6.542 172 2HG LYS 25 2HG LYS 25 5.010 0.291 6.807 173 1HD LYS 25 1HD LYS 25 3.091 1.780 7.291 174 2HD LYS 25 2HD LYS 25 1.973 0.478 6.966 175 1HE LYS 25 1HE LYS 25 2.948 -0.814 8.864 176 2HE LYS 25 2HE LYS 25 4.046 0.524 9.189 177 1HZ LYS 25 1HZ LYS 25 1.316 1.349 8.975 178 2HZ LYS 25 2HZ LYS 25 1.567 0.223 10.220 179 3HZ LYS 25 3HZ LYS 25 2.460 1.667 10.190 180 H CYS 26 H CYS 26 2.016 2.272 3.550 181 HA CYS 26 HA CYS 26 1.624 1.525 0.741 182 1HB CYS 26 1HB CYS 26 1.485 4.153 2.144 183 2HB CYS 26 2HB CYS 26 1.087 3.919 0.460 184 1HN NH2 27 1HT NH2 27 2.599 2.831 -1.050 185 2HN NH2 27 2HT NH2 27 4.250 3.203 -0.966
Contact the webmaster for help, if required. Thursday, May 9, 2024 6:23:28 PM GMT (wattos1)