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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
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7573 |
1kqi ![]() ![]() |
cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H LYS 1 1HT LYS 1 -15.737 -3.456 -1.730 2 2H LYS 1 2HT LYS 1 -14.532 -3.815 -0.597 3 3H LYS 1 3HT LYS 1 -14.880 -4.911 -1.838 4 HA LYS 1 HA LYS 1 -13.583 -3.891 -3.290 5 1HB LYS 1 2HB LYS 1 -13.622 -1.428 -3.572 6 2HB LYS 1 1HB LYS 1 -15.234 -2.127 -3.581 7 1HG LYS 1 2HG LYS 1 -15.681 -1.331 -1.386 8 2HG LYS 1 1HG LYS 1 -13.994 -0.868 -1.145 9 1HD LYS 1 2HD LYS 1 -14.330 0.685 -3.155 10 2HD LYS 1 1HD LYS 1 -16.057 0.406 -2.921 11 1HE LYS 1 2HE LYS 1 -16.125 1.589 -0.976 12 2HE LYS 1 1HE LYS 1 -14.466 1.178 -0.540 13 1HZ LYS 1 1HZ LYS 1 -15.206 3.087 -2.689 14 2HZ LYS 1 2HZ LYS 1 -13.639 2.756 -2.125 15 3HZ LYS 1 3HZ LYS 1 -14.761 3.537 -1.120 16 H CYS 2 H CYS 2 -11.398 -3.433 -3.260 17 HA CYS 2 HA CYS 2 -10.131 -2.127 -1.047 18 1HB CYS 2 2HB CYS 2 -8.766 -4.106 -0.374 19 2HB CYS 2 1HB CYS 2 -10.466 -4.245 0.051 20 H LEU 3 H LEU 3 -7.819 -1.990 -1.331 21 HA LEU 3 HA LEU 3 -7.149 -1.603 -4.097 22 1HB LEU 3 2HB LEU 3 -5.465 -1.290 -1.611 23 2HB LEU 3 1HB LEU 3 -5.074 -0.677 -3.200 24 HG LEU 3 HG LEU 3 -7.427 0.213 -1.543 25 1HD1 LEU 3 1HD1 LEU 3 -4.748 0.848 -1.206 26 2HD1 LEU 3 2HD1 LEU 3 -6.135 1.740 -0.579 27 3HD1 LEU 3 3HD1 LEU 3 -5.413 2.201 -2.121 28 1HD2 LEU 3 1HD2 LEU 3 -6.348 1.117 -4.206 29 2HD2 LEU 3 2HD2 LEU 3 -7.477 2.066 -3.240 30 3HD2 LEU 3 3HD2 LEU 3 -7.954 0.481 -3.846 31 H ALA 4 H ALA 4 -6.107 -3.004 -5.374 32 HA ALA 4 HA ALA 4 -5.309 -5.564 -4.353 33 1HB ALA 4 1HB ALA 4 -4.491 -5.569 -6.944 34 2HB ALA 4 2HB ALA 4 -5.759 -4.344 -6.980 35 3HB ALA 4 3HB ALA 4 -6.122 -5.971 -6.403 36 H GLU 5 H GLU 5 -3.171 -6.275 -5.913 37 HA GLU 5 HA GLU 5 -1.011 -5.291 -4.381 38 1HB GLU 5 2HB GLU 5 0.374 -6.593 -6.140 39 2HB GLU 5 1HB GLU 5 -0.669 -7.475 -5.041 40 1HG GLU 5 2HG GLU 5 -1.709 -6.688 -7.720 41 2HG GLU 5 1HG GLU 5 -0.600 -8.053 -7.583 42 H ALA 6 H ALA 6 0.336 -3.770 -4.664 43 HA ALA 6 HA ALA 6 1.483 -1.999 -5.455 44 1HB ALA 6 1HB ALA 6 2.561 -2.848 -7.234 45 2HB ALA 6 2HB ALA 6 1.393 -1.921 -8.175 46 3HB ALA 6 3HB ALA 6 1.114 -3.635 -7.865 47 H ALA 7 H ALA 7 -1.188 -1.699 -4.707 48 HA ALA 7 HA ALA 7 -2.186 0.283 -6.649 49 1HB ALA 7 1HB ALA 7 -3.512 -1.714 -5.160 50 2HB ALA 7 2HB ALA 7 -4.213 -0.517 -6.250 51 3HB ALA 7 3HB ALA 7 -4.047 -0.154 -4.532 52 H ASP 8 H ASP 8 -2.264 2.411 -6.148 53 HA ASP 8 HA ASP 8 -0.791 3.410 -3.981 54 1HB ASP 8 2HB ASP 8 -1.774 5.628 -4.632 55 2HB ASP 8 1HB ASP 8 -1.008 4.751 -5.949 56 H CYS 9 H CYS 9 -1.310 4.128 -1.986 57 HA CYS 9 HA CYS 9 -3.934 3.357 -0.994 58 1HB CYS 9 2HB CYS 9 -1.665 4.461 0.642 59 2HB CYS 9 1HB CYS 9 -3.029 3.506 1.196 60 H SER 10 H SER 10 -5.185 4.734 0.345 61 HA SER 10 HA SER 10 -5.363 7.412 -0.680 62 1HB SER 10 2HB SER 10 -7.342 7.518 0.893 63 2HB SER 10 1HB SER 10 -7.417 6.233 -0.314 64 HG SER 10 HG SER 10 -6.326 5.754 2.243 65 HA PRO 11 HA PRO 11 -2.774 9.286 2.385 66 1HB PRO 11 2HB PRO 11 -3.728 11.847 2.106 67 2HB PRO 11 1HB PRO 11 -2.542 11.099 1.033 68 1HG PRO 11 2HG PRO 11 -5.490 11.431 0.666 69 2HG PRO 11 1HG PRO 11 -4.185 11.618 -0.519 70 1HD PRO 11 2HD PRO 11 -5.724 9.414 -0.432 71 2HD PRO 11 1HD PRO 11 -4.004 9.342 -0.867 72 H TRP 12 H TRP 12 -6.250 10.123 2.424 73 HA TRP 12 HA TRP 12 -6.086 10.078 5.360 74 1HB TRP 12 2HB TRP 12 -7.628 12.061 3.678 75 2HB TRP 12 1HB TRP 12 -7.809 11.887 5.419 76 HD1 TRP 12 HD TRP 12 -5.552 12.487 6.908 77 HE1 TRP 12 1HE TRP 12 -3.741 14.260 6.464 78 HE3 TRP 12 3HE TRP 12 -6.399 13.289 1.930 79 HZ2 TRP 12 2HZ TRP 12 -2.800 15.801 4.295 80 HZ3 TRP 12 3HZ TRP 12 -5.003 14.933 0.747 81 HH2 TRP 12 HH TRP 12 -3.242 16.163 1.907 82 H SER 13 H SER 13 -8.227 9.761 2.545 83 HA SER 13 HA SER 13 -9.646 7.646 3.931 84 1HB SER 13 2HB SER 13 -10.850 9.770 4.505 85 2HB SER 13 1HB SER 13 -11.151 10.012 2.785 86 HG SER 13 HG SER 13 -12.469 8.450 4.546 87 H GLY 14 H GLY 14 -10.500 6.143 2.569 88 1HA GLY 14 2HA GLY 14 -11.230 6.377 -0.072 89 2HA GLY 14 1HA GLY 14 -9.496 6.087 -0.094 90 H ASP 15 H ASP 15 -9.424 4.055 -0.857 91 HA ASP 15 HA ASP 15 -11.094 2.008 0.384 92 1HB ASP 15 2HB ASP 15 -9.499 2.134 -2.140 93 2HB ASP 15 1HB ASP 15 -9.872 0.567 -1.439 94 H SER 16 H SER 16 -10.240 0.115 1.247 95 HA SER 16 HA SER 16 -7.607 0.462 2.451 96 1HB SER 16 2HB SER 16 -9.646 -1.680 3.060 97 2HB SER 16 1HB SER 16 -8.272 -1.194 4.051 98 HG SER 16 HG SER 16 -9.803 0.944 3.537 99 H CYS 17 H CYS 17 -6.018 -1.180 2.343 100 HA CYS 17 HA CYS 17 -5.723 -2.394 -0.180 101 1HB CYS 17 2HB CYS 17 -4.260 -3.056 2.387 102 2HB CYS 17 1HB CYS 17 -3.725 -3.444 0.758 103 H CYS 18 H CYS 18 -5.932 -4.503 -0.866 104 HA CYS 18 HA CYS 18 -7.849 -6.165 0.446 105 1HB CYS 18 2HB CYS 18 -5.953 -6.799 -1.837 106 2HB CYS 18 1HB CYS 18 -7.281 -7.824 -1.316 107 H LYS 19 H LYS 19 -7.508 -8.030 1.614 108 HA LYS 19 HA LYS 19 -4.954 -8.189 2.901 109 1HB LYS 19 2HB LYS 19 -5.927 -9.694 4.410 110 2HB LYS 19 1HB LYS 19 -7.185 -8.545 4.046 111 1HG LYS 19 2HG LYS 19 -6.947 -11.288 2.825 112 2HG LYS 19 1HG LYS 19 -7.994 -10.868 4.178 113 1HD LYS 19 2HD LYS 19 -9.271 -9.371 2.781 114 2HD LYS 19 1HD LYS 19 -8.157 -9.621 1.435 115 1HE LYS 19 2HE LYS 19 -8.772 -12.018 1.429 116 2HE LYS 19 1HE LYS 19 -9.951 -11.692 2.697 117 1HZ LYS 19 1HZ LYS 19 -9.976 -10.741 -0.105 118 2HZ LYS 19 2HZ LYS 19 -10.942 -10.036 1.090 119 3HZ LYS 19 3HZ LYS 19 -11.142 -11.668 0.698 120 HA PRO 20 HA PRO 20 -3.846 -9.296 3.898 121 1HB PRO 20 2HB PRO 20 -1.598 -10.694 4.272 122 2HB PRO 20 1HB PRO 20 -3.182 -11.451 4.466 123 1HG PRO 20 2HG PRO 20 -1.190 -11.794 2.313 124 2HG PRO 20 1HG PRO 20 -2.473 -12.892 2.841 125 1HD PRO 20 2HD PRO 20 -2.500 -11.014 0.636 126 2HD PRO 20 1HD PRO 20 -3.744 -12.194 1.096 127 H TYR 21 H TYR 21 -3.196 -8.137 1.167 128 HA TYR 21 HA TYR 21 -0.445 -7.484 1.080 129 1HB TYR 21 2HB TYR 21 -2.726 -5.898 -0.143 130 2HB TYR 21 1HB TYR 21 -1.026 -5.810 -0.579 131 HD1 TYR 21 1HD TYR 21 -3.916 -8.168 -0.529 132 HD2 TYR 21 2HD TYR 21 -0.151 -7.184 -2.243 133 HE1 TYR 21 1HE TYR 21 -4.223 -9.941 -2.204 134 HE2 TYR 21 2HE TYR 21 -0.449 -8.951 -3.925 135 HH TYR 21 HH TYR 21 -2.554 -10.160 -4.996 136 H LEU 22 H LEU 22 0.627 -5.595 1.626 137 HA LEU 22 HA LEU 22 -0.723 -3.960 3.674 138 1HB LEU 22 2HB LEU 22 0.880 -5.502 4.667 139 2HB LEU 22 1HB LEU 22 2.131 -4.937 3.579 140 HG LEU 22 HG LEU 22 1.933 -2.675 4.662 141 1HD1 LEU 22 1HD1 LEU 22 0.459 -2.231 6.279 142 2HD1 LEU 22 2HD1 LEU 22 0.729 -3.780 7.077 143 3HD1 LEU 22 3HD1 LEU 22 -0.386 -3.673 5.715 144 1HD2 LEU 22 1HD2 LEU 22 2.612 -4.433 6.904 145 2HD2 LEU 22 2HD2 LEU 22 3.597 -3.243 6.053 146 3HD2 LEU 22 3HD2 LEU 22 3.391 -4.860 5.380 147 H CYS 23 H CYS 23 -0.462 -1.771 3.558 148 HA CYS 23 HA CYS 23 0.440 -0.652 1.108 149 1HB CYS 23 2HB CYS 23 -1.381 0.337 2.480 150 2HB CYS 23 1HB CYS 23 -0.192 0.776 3.701 151 H SER 24 H SER 24 2.487 -0.488 0.571 152 HA SER 24 HA SER 24 4.538 -0.284 2.611 153 1HB SER 24 2HB SER 24 6.102 -0.629 0.730 154 2HB SER 24 1HB SER 24 4.850 -1.865 0.756 155 HG SER 24 HG SER 24 4.313 0.406 -0.749 156 H CYS 25 H CYS 25 5.314 1.602 3.255 157 HA CYS 25 HA CYS 25 5.145 3.908 1.428 158 1HB CYS 25 2HB CYS 25 4.900 3.876 4.448 159 2HB CYS 25 1HB CYS 25 5.003 5.336 3.473 160 H ILE 26 H ILE 26 7.273 2.403 1.116 161 HA ILE 26 HA ILE 26 9.409 3.142 2.899 162 HB ILE 26 HB ILE 26 10.853 1.900 1.242 163 1HG1 ILE 26 2HG1 ILE 26 8.148 1.236 0.056 164 2HG1 ILE 26 1HG1 ILE 26 9.430 2.143 -0.734 165 1HG2 ILE 26 1HG2 ILE 26 9.129 1.007 3.239 166 2HG2 ILE 26 2HG2 ILE 26 10.523 0.153 2.578 167 3HG2 ILE 26 3HG2 ILE 26 8.916 -0.134 1.911 168 1HD1 ILE 26 1HD1 ILE 26 10.815 -0.033 -0.292 169 2HD1 ILE 26 2HD1 ILE 26 9.717 0.081 -1.668 170 3HD1 ILE 26 3HD1 ILE 26 9.216 -0.772 -0.207 171 H PHE 27 H PHE 27 11.551 3.556 1.336 172 HA PHE 27 HA PHE 27 11.295 6.314 0.725 173 1HB PHE 27 2HB PHE 27 13.562 4.361 0.395 174 2HB PHE 27 1HB PHE 27 13.703 6.063 -0.025 175 HD1 PHE 27 1HD PHE 27 12.367 4.110 2.880 176 HD2 PHE 27 2HD PHE 27 14.829 7.305 1.522 177 HE1 PHE 27 1HE PHE 27 12.961 4.636 5.207 178 HE2 PHE 27 2HE PHE 27 15.428 7.836 3.849 179 HZ PHE 27 HZ PHE 27 14.495 6.500 5.695 180 H PHE 28 H PHE 28 12.333 3.623 -1.378 181 HA PHE 28 HA PHE 28 12.200 5.210 -3.725 182 1HB PHE 28 2HB PHE 28 13.670 3.192 -3.383 183 2HB PHE 28 1HB PHE 28 12.236 2.195 -3.601 184 HD1 PHE 28 1HD PHE 28 13.352 5.257 -5.404 185 HD2 PHE 28 2HD PHE 28 12.505 1.092 -5.612 186 HE1 PHE 28 1HE PHE 28 13.689 5.314 -7.840 187 HE2 PHE 28 2HE PHE 28 12.841 1.141 -8.048 188 HZ PHE 28 HZ PHE 28 13.434 3.254 -9.165 189 H TYR 29 H TYR 29 9.927 3.065 -2.157 190 HA TYR 29 HA TYR 29 8.051 3.546 -4.371 191 1HB TYR 29 2HB TYR 29 8.067 1.310 -2.337 192 2HB TYR 29 1HB TYR 29 6.775 1.588 -3.499 193 HD1 TYR 29 1HD TYR 29 6.882 0.647 -5.625 194 HD2 TYR 29 2HD TYR 29 10.420 0.838 -3.271 195 HE1 TYR 29 1HE TYR 29 8.042 -0.763 -7.268 196 HE2 TYR 29 2HE TYR 29 11.593 -0.568 -4.912 197 HH TYR 29 HH TYR 29 11.406 -1.172 -7.292 198 HA PRO 30 HA PRO 30 5.875 6.126 -1.464 199 1HB PRO 30 2HB PRO 30 3.792 6.725 -3.091 200 2HB PRO 30 1HB PRO 30 5.385 7.467 -3.274 201 1HG PRO 30 2HG PRO 30 4.161 5.205 -4.801 202 2HG PRO 30 1HG PRO 30 5.128 6.567 -5.398 203 1HD PRO 30 2HD PRO 30 6.150 4.076 -4.999 204 2HD PRO 30 1HD PRO 30 7.117 5.553 -4.847 205 H CYS 31 H CYS 31 3.695 6.166 -0.484 206 HA CYS 31 HA CYS 31 2.896 3.751 0.524 207 1HB CYS 31 2HB CYS 31 1.332 6.306 0.199 208 2HB CYS 31 1HB CYS 31 0.716 4.919 1.089 209 H SER 32 H SER 32 2.395 2.072 -0.652 210 HA SER 32 HA SER 32 -0.058 2.076 -2.176 211 1HB SER 32 2HB SER 32 1.165 0.885 -4.110 212 2HB SER 32 1HB SER 32 1.348 2.635 -4.000 213 HG SER 32 HG SER 32 3.353 2.235 -2.881 214 H CYS 33 H CYS 33 -1.054 0.091 -2.060 215 HA CYS 33 HA CYS 33 -0.122 -1.748 -0.133 216 1HB CYS 33 2HB CYS 33 -2.179 -2.456 -2.210 217 2HB CYS 33 1HB CYS 33 -2.069 -2.990 -0.544 218 H ARG 34 H ARG 34 1.361 -3.192 -0.321 219 HA ARG 34 HA ARG 34 1.974 -4.386 -2.948 220 1HB ARG 34 2HB ARG 34 3.738 -3.361 -0.757 221 2HB ARG 34 1HB ARG 34 4.261 -4.798 -1.613 222 1HG ARG 34 2HG ARG 34 5.117 -2.526 -2.418 223 2HG ARG 34 1HG ARG 34 4.522 -3.662 -3.625 224 1HD ARG 34 2HD ARG 34 2.451 -2.491 -3.806 225 2HD ARG 34 1HD ARG 34 2.838 -1.478 -2.421 226 HE ARG 34 HE ARG 34 3.804 -0.048 -3.874 227 1HH1 ARG 34 1HH1 ARG 34 4.132 -3.257 -5.263 228 2HH1 ARG 34 2HH1 ARG 34 4.869 -2.687 -6.722 229 1HH2 ARG 34 1HH2 ARG 34 4.752 0.696 -5.794 230 2HH2 ARG 34 2HH2 ARG 34 5.226 -0.430 -7.023 231 HA PRO 35 HA PRO 35 1.067 -8.400 -1.383 232 1HB PRO 35 2HB PRO 35 3.862 -9.236 -1.936 233 2HB PRO 35 1HB PRO 35 2.340 -9.946 -2.484 234 1HG PRO 35 2HG PRO 35 3.888 -8.496 -4.126 235 2HG PRO 35 1HG PRO 35 2.119 -8.462 -4.232 236 1HD PRO 35 2HD PRO 35 3.990 -6.425 -3.143 237 2HD PRO 35 1HD PRO 35 2.420 -6.210 -3.936 238 H LYS 36 H LYS 36 1.507 -9.887 0.355 239 HA LYS 36 HA LYS 36 2.720 -8.580 2.611 240 1HB LYS 36 2HB LYS 36 0.631 -10.038 2.667 241 2HB LYS 36 1HB LYS 36 1.698 -11.422 2.469 242 1HG LYS 36 2HG LYS 36 1.178 -11.201 4.784 243 2HG LYS 36 1HG LYS 36 2.866 -10.741 4.559 244 1HD LYS 36 2HD LYS 36 2.312 -8.411 4.681 245 2HD LYS 36 1HD LYS 36 0.585 -8.774 4.683 246 1HE LYS 36 2HE LYS 36 0.906 -9.983 6.832 247 2HE LYS 36 1HE LYS 36 2.583 -9.439 6.838 248 1HZ LYS 36 1HZ LYS 36 1.996 -7.363 7.422 249 2HZ LYS 36 2HZ LYS 36 0.591 -8.108 7.997 250 3HZ LYS 36 3HZ LYS 36 0.591 -7.361 6.478 251 H GLY 37 H GLY 37 4.850 -8.538 2.749 252 1HA GLY 37 2HA GLY 37 6.962 -9.470 3.157 253 2HA GLY 37 1HA GLY 37 6.357 -11.027 2.593 254 H TRP 38 H TRP 38 6.319 -7.830 1.105 255 HA TRP 38 HA TRP 38 7.020 -8.824 -1.455 256 1HB TRP 38 2HB TRP 38 6.855 -6.551 -2.194 257 2HB TRP 38 1HB TRP 38 5.596 -6.785 -0.988 258 HD1 TRP 38 HD TRP 38 8.979 -5.043 -1.470 259 HE1 TRP 38 1HE TRP 38 9.215 -3.181 0.282 260 HE3 TRP 38 3HE TRP 38 4.777 -5.976 1.282 261 HZ2 TRP 38 2HZ TRP 38 7.808 -2.228 2.535 262 HZ3 TRP 38 3HZ TRP 38 4.295 -4.544 3.219 263 HH2 TRP 38 HH TRP 38 5.780 -2.707 3.832 Start of MODEL 2 1 1H LYS 1 1HT LYS 1 -14.358 -3.126 -1.606 2 2H LYS 1 2HT LYS 1 -14.511 -4.153 -2.941 3 3H LYS 1 3HT LYS 1 -15.384 -2.705 -2.883 4 HA LYS 1 HA LYS 1 -13.103 -2.981 -4.207 5 1HB LYS 1 2HB LYS 1 -14.702 -1.074 -4.223 6 2HB LYS 1 1HB LYS 1 -14.009 -0.506 -2.712 7 1HG LYS 1 2HG LYS 1 -11.794 -0.375 -3.950 8 2HG LYS 1 1HG LYS 1 -12.736 -0.587 -5.428 9 1HD LYS 1 2HD LYS 1 -14.032 1.404 -4.915 10 2HD LYS 1 1HD LYS 1 -13.167 1.596 -3.390 11 1HE LYS 1 2HE LYS 1 -11.048 1.662 -4.861 12 2HE LYS 1 1HE LYS 1 -12.164 1.976 -6.189 13 1HZ LYS 1 1HZ LYS 1 -11.948 4.103 -5.579 14 2HZ LYS 1 2HZ LYS 1 -11.290 3.715 -4.063 15 3HZ LYS 1 3HZ LYS 1 -12.969 3.721 -4.284 16 H CYS 2 H CYS 2 -10.923 -2.832 -3.895 17 HA CYS 2 HA CYS 2 -9.768 -1.819 -1.477 18 1HB CYS 2 2HB CYS 2 -8.654 -3.956 -0.840 19 2HB CYS 2 1HB CYS 2 -10.395 -3.980 -0.600 20 H LEU 3 H LEU 3 -7.460 -1.833 -1.562 21 HA LEU 3 HA LEU 3 -6.511 -1.388 -4.243 22 1HB LEU 3 2HB LEU 3 -5.080 -1.231 -1.592 23 2HB LEU 3 1HB LEU 3 -4.492 -0.600 -3.115 24 HG LEU 3 HG LEU 3 -6.985 0.358 -1.718 25 1HD1 LEU 3 1HD1 LEU 3 -4.342 0.841 -1.021 26 2HD1 LEU 3 2HD1 LEU 3 -5.760 1.764 -0.523 27 3HD1 LEU 3 3HD1 LEU 3 -4.834 2.262 -1.940 28 1HD2 LEU 3 1HD2 LEU 3 -7.291 1.858 -3.408 29 2HD2 LEU 3 2HD2 LEU 3 -6.569 0.537 -4.327 30 3HD2 LEU 3 3HD2 LEU 3 -5.577 1.907 -3.826 31 H ALA 4 H ALA 4 -5.551 -2.883 -5.471 32 HA ALA 4 HA ALA 4 -4.902 -5.465 -4.400 33 1HB ALA 4 1HB ALA 4 -5.949 -5.157 -6.615 34 2HB ALA 4 2HB ALA 4 -4.459 -6.100 -6.682 35 3HB ALA 4 3HB ALA 4 -4.456 -4.410 -7.187 36 H GLU 5 H GLU 5 -2.757 -6.198 -6.005 37 HA GLU 5 HA GLU 5 -0.590 -5.511 -4.366 38 1HB GLU 5 2HB GLU 5 0.791 -6.719 -6.071 39 2HB GLU 5 1HB GLU 5 -0.567 -7.636 -5.440 40 1HG GLU 5 2HG GLU 5 -0.779 -6.132 -8.021 41 2HG GLU 5 1HG GLU 5 -0.063 -7.739 -7.952 42 H ALA 6 H ALA 6 0.743 -3.921 -4.371 43 HA ALA 6 HA ALA 6 1.927 -2.075 -4.914 44 1HB ALA 6 1HB ALA 6 3.215 -2.623 -6.633 45 2HB ALA 6 2HB ALA 6 1.985 -1.951 -7.703 46 3HB ALA 6 3HB ALA 6 1.966 -3.669 -7.307 47 H ALA 7 H ALA 7 -0.699 -1.641 -4.338 48 HA ALA 7 HA ALA 7 -1.449 0.456 -6.278 49 1HB ALA 7 1HB ALA 7 -3.679 0.028 -5.974 50 2HB ALA 7 2HB ALA 7 -3.448 -0.624 -4.353 51 3HB ALA 7 3HB ALA 7 -3.016 -1.592 -5.763 52 H ASP 8 H ASP 8 -1.163 2.457 -5.587 53 HA ASP 8 HA ASP 8 -0.177 3.210 -3.141 54 1HB ASP 8 2HB ASP 8 -1.761 4.804 -5.151 55 2HB ASP 8 1HB ASP 8 -0.999 5.530 -3.739 56 H CYS 9 H CYS 9 -0.914 3.577 -1.192 57 HA CYS 9 HA CYS 9 -3.813 3.458 -0.744 58 1HB CYS 9 2HB CYS 9 -2.778 3.059 1.725 59 2HB CYS 9 1HB CYS 9 -3.166 1.766 0.600 60 H SER 10 H SER 10 -4.799 4.868 0.671 61 HA SER 10 HA SER 10 -3.621 7.488 0.767 62 1HB SER 10 2HB SER 10 -6.229 6.540 1.974 63 2HB SER 10 1HB SER 10 -5.767 8.205 1.619 64 HG SER 10 HG SER 10 -6.843 7.743 -0.158 65 HA PRO 11 HA PRO 11 -1.693 6.961 4.728 66 1HB PRO 11 2HB PRO 11 -1.277 9.605 5.258 67 2HB PRO 11 1HB PRO 11 -0.289 8.668 4.130 68 1HG PRO 11 2HG PRO 11 -2.598 10.492 3.556 69 2HG PRO 11 1HG PRO 11 -1.033 10.391 2.738 70 1HD PRO 11 2HD PRO 11 -3.211 9.252 1.695 71 2HD PRO 11 1HD PRO 11 -1.620 8.472 1.572 72 H TRP 12 H TRP 12 -4.003 9.696 4.574 73 HA TRP 12 HA TRP 12 -4.625 9.407 7.363 74 1HB TRP 12 2HB TRP 12 -5.957 11.131 5.265 75 2HB TRP 12 1HB TRP 12 -6.190 11.259 7.006 76 HD1 TRP 12 HD TRP 12 -3.977 12.084 8.441 77 HE1 TRP 12 1HE TRP 12 -2.108 13.714 7.754 78 HE3 TRP 12 3HE TRP 12 -4.627 11.980 3.371 79 HZ2 TRP 12 2HZ TRP 12 -1.055 14.820 5.380 80 HZ3 TRP 12 3HZ TRP 12 -3.153 13.358 1.964 81 HH2 TRP 12 HH TRP 12 -1.405 14.748 2.949 82 H SER 13 H SER 13 -6.564 9.132 4.385 83 HA SER 13 HA SER 13 -7.976 6.845 5.398 84 1HB SER 13 2HB SER 13 -9.482 9.457 5.068 85 2HB SER 13 1HB SER 13 -10.232 7.882 5.320 86 HG SER 13 HG SER 13 -8.365 8.328 7.209 87 H GLY 14 H GLY 14 -8.930 5.690 3.779 88 1HA GLY 14 2HA GLY 14 -9.861 6.641 1.338 89 2HA GLY 14 1HA GLY 14 -8.164 6.237 1.114 90 H ASP 15 H ASP 15 -8.754 4.563 -0.340 91 HA ASP 15 HA ASP 15 -10.471 2.429 0.425 92 1HB ASP 15 2HB ASP 15 -8.389 2.627 -1.750 93 2HB ASP 15 1HB ASP 15 -9.444 1.240 -1.534 94 H SER 16 H SER 16 -9.992 0.412 1.172 95 HA SER 16 HA SER 16 -7.491 0.184 2.613 96 1HB SER 16 2HB SER 16 -9.757 -1.799 2.589 97 2HB SER 16 1HB SER 16 -8.507 -1.603 3.815 98 HG SER 16 HG SER 16 -9.791 0.721 3.488 99 H CYS 17 H CYS 17 -6.026 -1.515 2.368 100 HA CYS 17 HA CYS 17 -5.648 -2.427 -0.299 101 1HB CYS 17 2HB CYS 17 -4.304 -3.521 2.184 102 2HB CYS 17 1HB CYS 17 -3.701 -3.571 0.534 103 H CYS 18 H CYS 18 -5.894 -4.501 -1.152 104 HA CYS 18 HA CYS 18 -7.979 -6.122 -0.089 105 1HB CYS 18 2HB CYS 18 -5.928 -6.785 -2.228 106 2HB CYS 18 1HB CYS 18 -7.393 -7.700 -1.897 107 H LYS 19 H LYS 19 -7.816 -8.120 0.908 108 HA LYS 19 HA LYS 19 -5.454 -8.414 2.503 109 1HB LYS 19 2HB LYS 19 -6.731 -10.428 3.401 110 2HB LYS 19 1HB LYS 19 -7.426 -8.850 3.690 111 1HG LYS 19 2HG LYS 19 -8.311 -10.410 1.310 112 2HG LYS 19 1HG LYS 19 -8.910 -10.856 2.908 113 1HD LYS 19 2HD LYS 19 -9.124 -8.116 1.655 114 2HD LYS 19 1HD LYS 19 -10.428 -9.301 1.755 115 1HE LYS 19 2HE LYS 19 -10.362 -9.209 4.181 116 2HE LYS 19 1HE LYS 19 -8.994 -8.098 4.124 117 1HZ LYS 19 1HZ LYS 19 -11.344 -7.157 4.462 118 2HZ LYS 19 2HZ LYS 19 -11.535 -7.403 2.800 119 3HZ LYS 19 3HZ LYS 19 -10.316 -6.378 3.368 120 HA PRO 20 HA PRO 20 -4.317 -9.503 3.465 121 1HB PRO 20 2HB PRO 20 -2.130 -10.951 3.915 122 2HB PRO 20 1HB PRO 20 -3.733 -11.694 3.956 123 1HG PRO 20 2HG PRO 20 -1.593 -11.962 1.937 124 2HG PRO 20 1HG PRO 20 -2.935 -13.057 2.303 125 1HD PRO 20 2HD PRO 20 -2.758 -11.034 0.225 126 2HD PRO 20 1HD PRO 20 -4.035 -12.239 0.495 127 H TYR 21 H TYR 21 -3.504 -8.112 0.921 128 HA TYR 21 HA TYR 21 -0.719 -7.573 1.034 129 1HB TYR 21 2HB TYR 21 -2.874 -5.809 -0.157 130 2HB TYR 21 1HB TYR 21 -1.148 -5.709 -0.463 131 HD1 TYR 21 1HD TYR 21 -0.090 -7.102 -2.050 132 HD2 TYR 21 2HD TYR 21 -4.156 -7.794 -1.016 133 HE1 TYR 21 1HE TYR 21 -0.309 -8.634 -3.957 134 HE2 TYR 21 2HE TYR 21 -4.385 -9.333 -2.919 135 HH TYR 21 HH TYR 21 -2.643 -9.405 -5.430 136 H LEU 22 H LEU 22 0.387 -5.817 1.798 137 HA LEU 22 HA LEU 22 -0.952 -4.360 3.982 138 1HB LEU 22 2HB LEU 22 0.720 -6.010 4.700 139 2HB LEU 22 1HB LEU 22 1.923 -5.232 3.695 140 HG LEU 22 HG LEU 22 1.560 -3.152 5.126 141 1HD1 LEU 22 1HD1 LEU 22 0.496 -3.343 7.202 142 2HD1 LEU 22 2HD1 LEU 22 0.417 -5.102 7.094 143 3HD1 LEU 22 3HD1 LEU 22 -0.608 -4.107 6.059 144 1HD2 LEU 22 1HD2 LEU 22 3.348 -3.752 6.360 145 2HD2 LEU 22 2HD2 LEU 22 3.323 -5.181 5.328 146 3HD2 LEU 22 3HD2 LEU 22 2.590 -5.239 6.931 147 H CYS 23 H CYS 23 -0.794 -2.160 4.020 148 HA CYS 23 HA CYS 23 0.172 -0.786 1.711 149 1HB CYS 23 2HB CYS 23 -1.745 0.083 2.964 150 2HB CYS 23 1HB CYS 23 -0.743 0.277 4.398 151 H SER 24 H SER 24 2.198 -0.118 1.331 152 HA SER 24 HA SER 24 3.980 0.263 3.636 153 1HB SER 24 2HB SER 24 5.802 -0.795 2.273 154 2HB SER 24 1HB SER 24 4.514 -1.907 2.729 155 HG SER 24 HG SER 24 3.843 -0.799 0.415 156 H CYS 25 H CYS 25 5.238 2.024 3.559 157 HA CYS 25 HA CYS 25 5.181 3.622 1.094 158 1HB CYS 25 2HB CYS 25 4.212 4.370 3.523 159 2HB CYS 25 1HB CYS 25 5.867 4.956 3.646 160 H ILE 26 H ILE 26 7.002 2.566 0.275 161 HA ILE 26 HA ILE 26 9.450 2.514 1.772 162 HB ILE 26 HB ILE 26 10.455 1.716 -0.435 163 1HG1 ILE 26 2HG1 ILE 26 8.425 2.604 -1.770 164 2HG1 ILE 26 1HG1 ILE 26 9.089 1.035 -2.207 165 1HG2 ILE 26 1HG2 ILE 26 8.315 0.163 0.997 166 2HG2 ILE 26 2HG2 ILE 26 10.042 0.207 1.354 167 3HG2 ILE 26 3HG2 ILE 26 9.468 -0.551 -0.132 168 1HD1 ILE 26 1HD1 ILE 26 6.765 0.768 -2.259 169 2HD1 ILE 26 2HD1 ILE 26 6.543 1.640 -0.742 170 3HD1 ILE 26 3HD1 ILE 26 7.272 0.034 -0.736 171 H PHE 27 H PHE 27 11.417 3.114 0.047 172 HA PHE 27 HA PHE 27 11.564 5.927 0.306 173 1HB PHE 27 2HB PHE 27 13.398 3.912 -0.974 174 2HB PHE 27 1HB PHE 27 13.773 5.627 -0.901 175 HD1 PHE 27 1HD PHE 27 12.522 3.029 1.493 176 HD2 PHE 27 2HD PHE 27 15.273 6.184 0.723 177 HE1 PHE 27 1HE PHE 27 13.498 2.719 3.729 178 HE2 PHE 27 2HE PHE 27 16.253 5.878 2.958 179 HZ PHE 27 HZ PHE 27 15.367 4.144 4.464 180 H PHE 28 H PHE 28 12.145 4.089 -2.699 181 HA PHE 28 HA PHE 28 11.778 6.374 -4.322 182 1HB PHE 28 2HB PHE 28 13.179 4.397 -4.930 183 2HB PHE 28 1HB PHE 28 11.698 3.483 -5.198 184 HD1 PHE 28 1HD PHE 28 11.495 3.095 -7.457 185 HD2 PHE 28 2HD PHE 28 12.668 6.963 -6.127 186 HE1 PHE 28 1HE PHE 28 11.409 3.914 -9.775 187 HE2 PHE 28 2HE PHE 28 12.582 7.790 -8.442 188 HZ PHE 28 HZ PHE 28 11.952 6.264 -10.270 189 H TYR 29 H TYR 29 9.667 3.658 -3.541 190 HA TYR 29 HA TYR 29 7.541 4.878 -5.134 191 1HB TYR 29 2HB TYR 29 7.681 2.180 -3.773 192 2HB TYR 29 1HB TYR 29 6.292 2.770 -4.676 193 HD1 TYR 29 1HD TYR 29 6.142 2.395 -6.969 194 HD2 TYR 29 2HD TYR 29 9.914 1.965 -5.049 195 HE1 TYR 29 1HE TYR 29 7.082 1.456 -9.038 196 HE2 TYR 29 2HE TYR 29 10.864 1.030 -7.114 197 HH TYR 29 HH TYR 29 9.593 1.342 -10.032 198 HA PRO 30 HA PRO 30 5.790 6.647 -1.481 199 1HB PRO 30 2HB PRO 30 3.292 7.144 -2.431 200 2HB PRO 30 1HB PRO 30 4.700 8.122 -2.859 201 1HG PRO 30 2HG PRO 30 3.382 5.922 -4.401 202 2HG PRO 30 1HG PRO 30 3.997 7.482 -4.979 203 1HD PRO 30 2HD PRO 30 5.376 5.174 -5.279 204 2HD PRO 30 1HD PRO 30 6.178 6.741 -5.045 205 H CYS 31 H CYS 31 3.383 6.491 -0.467 206 HA CYS 31 HA CYS 31 3.253 3.964 0.726 207 1HB CYS 31 2HB CYS 31 1.129 6.115 0.579 208 2HB CYS 31 1HB CYS 31 1.096 4.740 1.671 209 H SER 32 H SER 32 2.848 2.193 -0.435 210 HA SER 32 HA SER 32 0.309 2.044 -1.863 211 1HB SER 32 2HB SER 32 1.603 0.771 -3.719 212 2HB SER 32 1HB SER 32 1.668 2.533 -3.710 213 HG SER 32 HG SER 32 3.682 2.371 -2.614 214 H CYS 33 H CYS 33 -0.670 0.093 -1.735 215 HA CYS 33 HA CYS 33 0.173 -1.743 0.239 216 1HB CYS 33 2HB CYS 33 -1.853 -2.337 -1.916 217 2HB CYS 33 1HB CYS 33 -1.771 -3.001 -0.296 218 H ARG 34 H ARG 34 1.384 -3.478 0.121 219 HA ARG 34 HA ARG 34 2.059 -4.613 -2.510 220 1HB ARG 34 2HB ARG 34 3.956 -4.232 -0.174 221 2HB ARG 34 1HB ARG 34 4.350 -5.000 -1.705 222 1HG ARG 34 2HG ARG 34 3.677 -2.106 -1.247 223 2HG ARG 34 1HG ARG 34 5.245 -2.785 -1.686 224 1HD ARG 34 2HD ARG 34 4.409 -3.464 -3.833 225 2HD ARG 34 1HD ARG 34 2.770 -2.979 -3.394 226 HE ARG 34 HE ARG 34 3.309 -0.809 -3.867 227 1HH1 ARG 34 1HH1 ARG 34 6.268 -2.675 -3.668 228 2HH1 ARG 34 2HH1 ARG 34 7.273 -1.370 -4.202 229 1HH2 ARG 34 1HH2 ARG 34 4.613 0.910 -4.532 230 2HH2 ARG 34 2HH2 ARG 34 6.324 0.680 -4.699 231 HA PRO 35 HA PRO 35 1.008 -8.617 -1.001 232 1HB PRO 35 2HB PRO 35 3.826 -9.487 -1.366 233 2HB PRO 35 1HB PRO 35 2.336 -10.198 -1.995 234 1HG PRO 35 2HG PRO 35 3.998 -8.777 -3.554 235 2HG PRO 35 1HG PRO 35 2.240 -8.748 -3.781 236 1HD PRO 35 2HD PRO 35 4.037 -6.683 -2.639 237 2HD PRO 35 1HD PRO 35 2.494 -6.496 -3.494 238 H LYS 36 H LYS 36 1.179 -9.965 0.834 239 HA LYS 36 HA LYS 36 2.438 -8.727 3.108 240 1HB LYS 36 2HB LYS 36 0.153 -10.006 2.949 241 2HB LYS 36 1HB LYS 36 1.143 -11.444 3.149 242 1HG LYS 36 2HG LYS 36 1.208 -9.149 5.091 243 2HG LYS 36 1HG LYS 36 0.074 -10.491 5.233 244 1HD LYS 36 2HD LYS 36 2.019 -12.045 5.287 245 2HD LYS 36 1HD LYS 36 3.086 -10.639 5.306 246 1HE LYS 36 2HE LYS 36 0.996 -11.314 7.374 247 2HE LYS 36 1HE LYS 36 2.737 -11.514 7.558 248 1HZ LYS 36 1HZ LYS 36 2.123 -8.863 6.779 249 2HZ LYS 36 2HZ LYS 36 2.925 -9.407 8.165 250 3HZ LYS 36 3HZ LYS 36 1.239 -9.275 8.161 251 H GLY 37 H GLY 37 4.511 -8.914 2.062 252 1HA GLY 37 2HA GLY 37 6.498 -10.172 3.086 253 2HA GLY 37 1HA GLY 37 5.770 -11.567 2.288 254 H TRP 38 H TRP 38 6.005 -8.226 1.230 255 HA TRP 38 HA TRP 38 6.725 -8.911 -1.413 256 1HB TRP 38 2HB TRP 38 6.828 -6.545 -1.822 257 2HB TRP 38 1HB TRP 38 5.489 -6.833 -0.719 258 HD1 TRP 38 HD TRP 38 9.101 -5.484 -0.704 259 HE1 TRP 38 1HE TRP 38 9.370 -3.889 1.294 260 HE3 TRP 38 3HE TRP 38 4.527 -6.134 1.484 261 HZ2 TRP 38 2HZ TRP 38 7.849 -3.016 3.501 262 HZ3 TRP 38 3HZ TRP 38 4.015 -4.881 3.535 263 HH2 TRP 38 HH TRP 38 5.642 -3.354 4.522 Start of MODEL 3 1 1H LYS 1 1HT LYS 1 -13.910 -0.097 0.522 2 2H LYS 1 2HT LYS 1 -14.468 0.633 -0.894 3 3H LYS 1 3HT LYS 1 -12.875 0.898 -0.375 4 HA LYS 1 HA LYS 1 -13.789 -1.847 -0.949 5 1HB LYS 1 2HB LYS 1 -14.413 -0.519 -2.921 6 2HB LYS 1 1HB LYS 1 -12.806 0.191 -2.970 7 1HG LYS 1 2HG LYS 1 -11.906 -2.135 -3.305 8 2HG LYS 1 1HG LYS 1 -13.575 -2.663 -3.518 9 1HD LYS 1 2HD LYS 1 -13.837 -1.191 -5.420 10 2HD LYS 1 1HD LYS 1 -12.218 -0.533 -5.169 11 1HE LYS 1 2HE LYS 1 -11.267 -2.764 -5.577 12 2HE LYS 1 1HE LYS 1 -12.889 -3.390 -5.874 13 1HZ LYS 1 1HZ LYS 1 -13.066 -2.226 -7.848 14 2HZ LYS 1 2HZ LYS 1 -11.443 -2.706 -7.862 15 3HZ LYS 1 3HZ LYS 1 -11.851 -1.119 -7.443 16 H CYS 2 H CYS 2 -11.930 -3.250 -1.154 17 HA CYS 2 HA CYS 2 -9.651 -2.143 0.176 18 1HB CYS 2 2HB CYS 2 -8.667 -4.370 0.074 19 2HB CYS 2 1HB CYS 2 -10.306 -4.426 0.688 20 H LEU 3 H LEU 3 -7.636 -1.934 -0.531 21 HA LEU 3 HA LEU 3 -7.377 -1.058 -3.247 22 1HB LEU 3 2HB LEU 3 -5.391 -1.197 -0.977 23 2HB LEU 3 1HB LEU 3 -5.127 -0.376 -2.495 24 HG LEU 3 HG LEU 3 -7.268 0.348 -0.502 25 1HD1 LEU 3 1HD1 LEU 3 -4.474 1.005 -0.617 26 2HD1 LEU 3 2HD1 LEU 3 -5.679 1.431 0.598 27 3HD1 LEU 3 3HD1 LEU 3 -5.460 2.452 -0.824 28 1HD2 LEU 3 1HD2 LEU 3 -6.368 1.755 -3.013 29 2HD2 LEU 3 2HD2 LEU 3 -7.591 2.327 -1.878 30 3HD2 LEU 3 3HD2 LEU 3 -7.877 0.862 -2.818 31 H ALA 4 H ALA 4 -6.253 -2.014 -4.894 32 HA ALA 4 HA ALA 4 -5.789 -4.826 -4.668 33 1HB ALA 4 1HB ALA 4 -4.819 -3.626 -7.122 34 2HB ALA 4 2HB ALA 4 -6.456 -3.110 -6.716 35 3HB ALA 4 3HB ALA 4 -6.086 -4.827 -6.869 36 H GLU 5 H GLU 5 -3.775 -5.603 -6.056 37 HA GLU 5 HA GLU 5 -1.518 -5.160 -4.416 38 1HB GLU 5 2HB GLU 5 -0.375 -6.659 -6.076 39 2HB GLU 5 1HB GLU 5 -1.816 -7.332 -5.328 40 1HG GLU 5 2HG GLU 5 -3.098 -6.691 -7.353 41 2HG GLU 5 1HG GLU 5 -1.581 -6.185 -8.098 42 H ALA 6 H ALA 6 0.198 -3.962 -4.680 43 HA ALA 6 HA ALA 6 1.539 -2.265 -5.358 44 1HB ALA 6 1HB ALA 6 1.256 -2.483 -8.213 45 2HB ALA 6 2HB ALA 6 1.388 -4.088 -7.493 46 3HB ALA 6 3HB ALA 6 2.641 -2.883 -7.195 47 H ALA 7 H ALA 7 -1.083 -1.608 -4.768 48 HA ALA 7 HA ALA 7 -1.670 0.487 -6.766 49 1HB ALA 7 1HB ALA 7 -3.438 -1.133 -4.995 50 2HB ALA 7 2HB ALA 7 -3.607 -0.746 -6.707 51 3HB ALA 7 3HB ALA 7 -3.951 0.481 -5.488 52 H ASP 8 H ASP 8 -1.709 2.580 -6.173 53 HA ASP 8 HA ASP 8 -0.385 3.443 -3.879 54 1HB ASP 8 2HB ASP 8 -0.938 4.686 -6.116 55 2HB ASP 8 1HB ASP 8 -2.391 5.198 -5.264 56 H CYS 9 H CYS 9 -1.064 4.195 -1.905 57 HA CYS 9 HA CYS 9 -3.574 3.140 -0.985 58 1HB CYS 9 2HB CYS 9 -1.587 4.803 0.564 59 2HB CYS 9 1HB CYS 9 -2.835 3.754 1.224 60 H SER 10 H SER 10 -5.047 4.469 0.378 61 HA SER 10 HA SER 10 -5.882 6.759 -1.127 62 1HB SER 10 2HB SER 10 -7.740 6.782 0.588 63 2HB SER 10 1HB SER 10 -7.571 5.268 -0.304 64 HG SER 10 HG SER 10 -6.467 5.789 2.264 65 HA PRO 11 HA PRO 11 -3.570 9.528 1.554 66 1HB PRO 11 2HB PRO 11 -4.259 11.644 -0.285 67 2HB PRO 11 1HB PRO 11 -2.695 10.865 -0.044 68 1HG PRO 11 2HG PRO 11 -4.193 10.607 -2.322 69 2HG PRO 11 1HG PRO 11 -3.020 9.402 -1.768 70 1HD PRO 11 2HD PRO 11 -5.999 9.413 -1.490 71 2HD PRO 11 1HD PRO 11 -4.905 8.063 -1.866 72 H TRP 12 H TRP 12 -6.460 10.874 -0.061 73 HA TRP 12 HA TRP 12 -7.116 12.404 2.307 74 1HB TRP 12 2HB TRP 12 -8.582 12.170 -0.331 75 2HB TRP 12 1HB TRP 12 -8.976 13.300 0.958 76 HD1 TRP 12 HD TRP 12 -7.355 15.404 1.289 77 HE1 TRP 12 1HE TRP 12 -5.654 16.521 -0.286 78 HE3 TRP 12 3HE TRP 12 -6.883 11.675 -2.177 79 HZ2 TRP 12 2HZ TRP 12 -4.299 15.908 -2.684 80 HZ3 TRP 12 3HZ TRP 12 -5.368 12.023 -4.084 81 HH2 TRP 12 HH TRP 12 -4.104 14.097 -4.331 82 H SER 13 H SER 13 -8.405 9.682 0.487 83 HA SER 13 HA SER 13 -10.613 9.351 2.341 84 1HB SER 13 2HB SER 13 -9.804 7.556 0.044 85 2HB SER 13 1HB SER 13 -11.377 7.634 0.839 86 HG SER 13 HG SER 13 -11.262 9.966 0.105 87 H GLY 14 H GLY 14 -10.759 6.527 2.409 88 1HA GLY 14 2HA GLY 14 -8.257 5.510 3.402 89 2HA GLY 14 1HA GLY 14 -9.435 5.820 4.661 90 H ASP 15 H ASP 15 -8.155 3.458 3.097 91 HA ASP 15 HA ASP 15 -10.363 1.664 3.482 92 1HB ASP 15 2HB ASP 15 -9.605 2.516 0.760 93 2HB ASP 15 1HB ASP 15 -9.655 0.783 0.995 94 H SER 16 H SER 16 -9.689 -0.508 3.467 95 HA SER 16 HA SER 16 -6.861 -0.803 4.069 96 1HB SER 16 2HB SER 16 -8.986 -2.937 4.218 97 2HB SER 16 1HB SER 16 -7.438 -2.893 5.058 98 HG SER 16 HG SER 16 -8.900 -0.685 5.603 99 H CYS 17 H CYS 17 -5.495 -2.258 3.001 100 HA CYS 17 HA CYS 17 -6.023 -2.586 0.201 101 1HB CYS 17 2HB CYS 17 -3.767 -3.877 1.738 102 2HB CYS 17 1HB CYS 17 -3.802 -3.406 0.041 103 H CYS 18 H CYS 18 -6.371 -4.523 -0.916 104 HA CYS 18 HA CYS 18 -7.897 -6.525 0.342 105 1HB CYS 18 2HB CYS 18 -6.370 -6.757 -2.262 106 2HB CYS 18 1HB CYS 18 -7.724 -7.750 -1.756 107 H LYS 19 H LYS 19 -7.381 -8.580 0.990 108 HA LYS 19 HA LYS 19 -4.681 -8.925 1.885 109 1HB LYS 19 2HB LYS 19 -5.545 -11.018 2.867 110 2HB LYS 19 1HB LYS 19 -6.496 -9.621 3.324 111 1HG LYS 19 2HG LYS 19 -8.195 -10.224 1.693 112 2HG LYS 19 1HG LYS 19 -7.227 -11.609 1.182 113 1HD LYS 19 2HD LYS 19 -7.401 -12.548 3.446 114 2HD LYS 19 1HD LYS 19 -8.393 -11.171 3.932 115 1HE LYS 19 2HE LYS 19 -10.081 -11.799 2.283 116 2HE LYS 19 1HE LYS 19 -9.084 -13.160 1.771 117 1HZ LYS 19 1HZ LYS 19 -9.327 -14.154 3.925 118 2HZ LYS 19 2HZ LYS 19 -10.865 -13.795 3.319 119 3HZ LYS 19 3HZ LYS 19 -10.176 -12.812 4.510 120 HA PRO 20 HA PRO 20 -3.376 -10.241 2.418 121 1HB PRO 20 2HB PRO 20 -1.079 -11.563 2.056 122 2HB PRO 20 1HB PRO 20 -2.601 -12.418 2.335 123 1HG PRO 20 2HG PRO 20 -1.018 -12.170 -0.141 124 2HG PRO 20 1HG PRO 20 -2.203 -13.402 0.316 125 1HD PRO 20 2HD PRO 20 -2.583 -11.059 -1.342 126 2HD PRO 20 1HD PRO 20 -3.737 -12.358 -0.982 127 H TYR 21 H TYR 21 -3.351 -8.080 0.628 128 HA TYR 21 HA TYR 21 -0.491 -7.372 0.464 129 1HB TYR 21 2HB TYR 21 -2.784 -5.920 -0.884 130 2HB TYR 21 1HB TYR 21 -1.060 -5.726 -1.189 131 HD1 TYR 21 1HD TYR 21 0.208 -7.543 -2.313 132 HD2 TYR 21 2HD TYR 21 -4.027 -7.665 -1.948 133 HE1 TYR 21 1HE TYR 21 0.113 -9.264 -4.065 134 HE2 TYR 21 2HE TYR 21 -4.134 -9.386 -3.700 135 HH TYR 21 HH TYR 21 -1.760 -10.015 -5.811 136 H LEU 22 H LEU 22 0.269 -5.472 1.327 137 HA LEU 22 HA LEU 22 -1.533 -4.085 3.200 138 1HB LEU 22 2HB LEU 22 -0.093 -5.661 4.391 139 2HB LEU 22 1HB LEU 22 1.324 -4.953 3.646 140 HG LEU 22 HG LEU 22 0.765 -2.802 4.828 141 1HD1 LEU 22 1HD1 LEU 22 -1.328 -4.586 6.020 142 2HD1 LEU 22 2HD1 LEU 22 -1.503 -2.966 5.347 143 3HD1 LEU 22 3HD1 LEU 22 -0.694 -3.194 6.897 144 1HD2 LEU 22 1HD2 LEU 22 1.968 -3.408 6.684 145 2HD2 LEU 22 2HD2 LEU 22 2.324 -4.761 5.609 146 3HD2 LEU 22 3HD2 LEU 22 1.111 -4.937 6.878 147 H CYS 23 H CYS 23 -1.234 -1.877 3.415 148 HA CYS 23 HA CYS 23 -0.053 -0.500 1.241 149 1HB CYS 23 2HB CYS 23 -1.968 0.449 2.420 150 2HB CYS 23 1HB CYS 23 -1.040 0.535 3.912 151 H SER 24 H SER 24 2.004 -0.006 0.942 152 HA SER 24 HA SER 24 3.732 0.263 3.305 153 1HB SER 24 2HB SER 24 5.565 -0.720 1.881 154 2HB SER 24 1HB SER 24 4.277 -1.849 2.296 155 HG SER 24 HG SER 24 3.593 -0.646 0.035 156 H CYS 25 H CYS 25 5.166 1.937 3.284 157 HA CYS 25 HA CYS 25 5.339 3.559 0.856 158 1HB CYS 25 2HB CYS 25 3.649 4.357 2.743 159 2HB CYS 25 1HB CYS 25 5.127 4.943 3.500 160 H ILE 26 H ILE 26 7.402 2.990 0.456 161 HA ILE 26 HA ILE 26 9.381 3.468 2.570 162 HB ILE 26 HB ILE 26 10.930 2.068 1.145 163 1HG1 ILE 26 2HG1 ILE 26 9.323 2.253 -0.894 164 2HG1 ILE 26 1HG1 ILE 26 10.158 0.733 -0.604 165 1HG2 ILE 26 1HG2 ILE 26 9.753 1.307 3.210 166 2HG2 ILE 26 2HG2 ILE 26 10.184 0.017 2.087 167 3HG2 ILE 26 3HG2 ILE 26 8.519 0.591 2.173 168 1HD1 ILE 26 1HD1 ILE 26 7.489 1.012 0.621 169 2HD1 ILE 26 2HD1 ILE 26 8.248 -0.380 -0.151 170 3HD1 ILE 26 3HD1 ILE 26 7.548 0.903 -1.137 171 H PHE 27 H PHE 27 11.645 3.657 1.069 172 HA PHE 27 HA PHE 27 11.571 6.376 0.300 173 1HB PHE 27 2HB PHE 27 13.696 4.256 0.128 174 2HB PHE 27 1HB PHE 27 13.964 5.896 -0.442 175 HD1 PHE 27 1HD PHE 27 15.228 7.137 0.998 176 HD2 PHE 27 2HD PHE 27 12.434 4.364 2.616 177 HE1 PHE 27 1HE PHE 27 15.871 7.820 3.271 178 HE2 PHE 27 2HE PHE 27 13.071 5.045 4.892 179 HZ PHE 27 HZ PHE 27 14.791 6.775 5.222 180 H PHE 28 H PHE 28 12.441 3.517 -1.655 181 HA PHE 28 HA PHE 28 12.398 5.002 -4.081 182 1HB PHE 28 2HB PHE 28 13.791 2.944 -3.610 183 2HB PHE 28 1HB PHE 28 12.324 1.997 -3.824 184 HD1 PHE 28 1HD PHE 28 13.464 4.969 -5.740 185 HD2 PHE 28 2HD PHE 28 12.733 0.777 -5.761 186 HE1 PHE 28 1HE PHE 28 13.862 4.916 -8.167 187 HE2 PHE 28 2HE PHE 28 13.130 0.717 -8.188 188 HZ PHE 28 HZ PHE 28 13.695 2.788 -9.394 189 H TYR 29 H TYR 29 10.069 2.945 -2.450 190 HA TYR 29 HA TYR 29 8.200 3.409 -4.677 191 1HB TYR 29 2HB TYR 29 8.329 1.216 -2.623 192 2HB TYR 29 1HB TYR 29 6.846 1.560 -3.502 193 HD1 TYR 29 1HD TYR 29 6.432 0.118 -5.216 194 HD2 TYR 29 2HD TYR 29 10.472 1.159 -4.394 195 HE1 TYR 29 1HE TYR 29 7.171 -1.329 -7.058 196 HE2 TYR 29 2HE TYR 29 11.223 -0.284 -6.240 197 HH TYR 29 HH TYR 29 10.559 -1.482 -8.030 198 HA PRO 30 HA PRO 30 6.084 6.212 -1.961 199 1HB PRO 30 2HB PRO 30 3.885 6.575 -3.517 200 2HB PRO 30 1HB PRO 30 5.441 7.342 -3.856 201 1HG PRO 30 2HG PRO 30 4.226 4.899 -5.080 202 2HG PRO 30 1HG PRO 30 5.110 6.221 -5.861 203 1HD PRO 30 2HD PRO 30 6.252 3.830 -5.287 204 2HD PRO 30 1HD PRO 30 7.164 5.350 -5.293 205 H CYS 31 H CYS 31 3.729 6.409 -1.150 206 HA CYS 31 HA CYS 31 3.071 4.123 0.306 207 1HB CYS 31 2HB CYS 31 1.388 6.543 -0.375 208 2HB CYS 31 1HB CYS 31 0.927 5.324 0.803 209 H SER 32 H SER 32 2.615 2.280 -0.749 210 HA SER 32 HA SER 32 0.139 2.145 -2.243 211 1HB SER 32 2HB SER 32 1.372 0.849 -4.097 212 2HB SER 32 1HB SER 32 1.518 2.608 -4.098 213 HG SER 32 HG SER 32 3.520 2.251 -2.865 214 H CYS 33 H CYS 33 -0.824 0.167 -2.113 215 HA CYS 33 HA CYS 33 0.143 -1.620 -0.118 216 1HB CYS 33 2HB CYS 33 -2.083 -2.176 -2.088 217 2HB CYS 33 1HB CYS 33 -1.838 -2.906 -0.509 218 H ARG 34 H ARG 34 1.380 -3.280 -0.318 219 HA ARG 34 HA ARG 34 1.823 -4.572 -2.930 220 1HB ARG 34 2HB ARG 34 4.016 -4.054 -0.897 221 2HB ARG 34 1HB ARG 34 4.195 -4.667 -2.534 222 1HG ARG 34 2HG ARG 34 3.142 -1.915 -1.994 223 2HG ARG 34 1HG ARG 34 4.870 -2.254 -2.076 224 1HD ARG 34 2HD ARG 34 4.685 -2.996 -4.339 225 2HD ARG 34 1HD ARG 34 2.923 -2.945 -4.268 226 HE ARG 34 HE ARG 34 3.682 -0.390 -3.697 227 1HH1 ARG 34 1HH1 ARG 34 4.424 -2.570 -6.337 228 2HH1 ARG 34 2HH1 ARG 34 4.499 -1.311 -7.521 229 1HH2 ARG 34 1HH2 ARG 34 3.777 1.264 -5.233 230 2HH2 ARG 34 2HH2 ARG 34 4.130 0.885 -6.893 231 HA PRO 35 HA PRO 35 1.230 -8.476 -0.892 232 1HB PRO 35 2HB PRO 35 4.139 -9.067 -1.234 233 2HB PRO 35 1HB PRO 35 2.737 -10.066 -1.630 234 1HG PRO 35 2HG PRO 35 4.102 -8.766 -3.530 235 2HG PRO 35 1HG PRO 35 2.344 -8.966 -3.620 236 1HD PRO 35 2HD PRO 35 3.938 -6.541 -3.012 237 2HD PRO 35 1HD PRO 35 2.322 -6.686 -3.725 238 H LYS 36 H LYS 36 1.229 -9.105 1.244 239 HA LYS 36 HA LYS 36 2.703 -7.472 3.079 240 1HB LYS 36 2HB LYS 36 0.356 -8.285 3.468 241 2HB LYS 36 1HB LYS 36 1.003 -9.902 3.684 242 1HG LYS 36 2HG LYS 36 2.029 -7.670 5.378 243 2HG LYS 36 1HG LYS 36 0.469 -8.404 5.745 244 1HD LYS 36 2HD LYS 36 1.548 -10.607 5.874 245 2HD LYS 36 1HD LYS 36 3.107 -9.856 5.527 246 1HE LYS 36 2HE LYS 36 2.931 -8.537 7.574 247 2HE LYS 36 1HE LYS 36 1.360 -9.263 7.914 248 1HZ LYS 36 1HZ LYS 36 3.453 -11.186 7.464 249 2HZ LYS 36 2HZ LYS 36 2.308 -11.105 8.707 250 3HZ LYS 36 3HZ LYS 36 3.731 -10.196 8.809 251 H GLY 37 H GLY 37 4.797 -7.817 3.156 252 1HA GLY 37 2HA GLY 37 6.606 -9.000 4.178 253 2HA GLY 37 1HA GLY 37 5.746 -10.507 3.875 254 H TRP 38 H TRP 38 6.429 -7.790 1.737 255 HA TRP 38 HA TRP 38 7.266 -9.530 -0.375 256 1HB TRP 38 2HB TRP 38 7.324 -7.583 -1.736 257 2HB TRP 38 1HB TRP 38 5.966 -7.353 -0.643 258 HD1 TRP 38 HD TRP 38 9.212 -5.805 -1.711 259 HE1 TRP 38 1HE TRP 38 9.614 -3.621 -0.425 260 HE3 TRP 38 3HE TRP 38 5.513 -6.222 1.796 261 HZ2 TRP 38 2HZ TRP 38 8.520 -2.251 1.782 262 HZ3 TRP 38 3HZ TRP 38 5.264 -4.433 3.460 263 HH2 TRP 38 HH TRP 38 6.736 -2.487 3.452 Start of MODEL 4 1 1H LYS 1 1HT LYS 1 -15.467 -1.964 0.422 2 2H LYS 1 2HT LYS 1 -14.223 -2.886 1.102 3 3H LYS 1 3HT LYS 1 -15.079 -3.475 -0.234 4 HA LYS 1 HA LYS 1 -13.841 -2.361 -1.693 5 1HB LYS 1 2HB LYS 1 -13.895 -0.116 0.335 6 2HB LYS 1 1HB LYS 1 -13.123 0.002 -1.236 7 1HG LYS 1 2HG LYS 1 -15.274 -0.290 -2.333 8 2HG LYS 1 1HG LYS 1 -16.061 -0.453 -0.759 9 1HD LYS 1 2HD LYS 1 -16.315 1.820 -1.616 10 2HD LYS 1 1HD LYS 1 -15.317 1.810 -0.160 11 1HE LYS 1 2HE LYS 1 -13.360 1.602 -1.918 12 2HE LYS 1 1HE LYS 1 -14.550 2.330 -2.994 13 1HZ LYS 1 1HZ LYS 1 -12.903 3.616 -1.177 14 2HZ LYS 1 2HZ LYS 1 -14.469 3.720 -0.529 15 3HZ LYS 1 3HZ LYS 1 -14.162 4.302 -2.088 16 H CYS 2 H CYS 2 -11.658 -2.511 -2.097 17 HA CYS 2 HA CYS 2 -9.741 -2.013 -0.071 18 1HB CYS 2 2HB CYS 2 -8.759 -4.227 0.110 19 2HB CYS 2 1HB CYS 2 -10.411 -4.228 0.686 20 H LEU 3 H LEU 3 -7.665 -1.991 -0.799 21 HA LEU 3 HA LEU 3 -7.440 -1.472 -3.633 22 1HB LEU 3 2HB LEU 3 -5.495 -1.179 -1.351 23 2HB LEU 3 1HB LEU 3 -5.188 -0.656 -2.990 24 HG LEU 3 HG LEU 3 -7.383 0.398 -1.212 25 1HD1 LEU 3 1HD1 LEU 3 -6.079 2.171 -0.663 26 2HD1 LEU 3 2HD1 LEU 3 -5.135 2.081 -2.150 27 3HD1 LEU 3 3HD1 LEU 3 -4.823 0.944 -0.837 28 1HD2 LEU 3 1HD2 LEU 3 -6.887 0.601 -4.065 29 2HD2 LEU 3 2HD2 LEU 3 -6.946 2.181 -3.282 30 3HD2 LEU 3 3HD2 LEU 3 -8.307 1.068 -3.128 31 H ALA 4 H ALA 4 -6.325 -2.658 -5.110 32 HA ALA 4 HA ALA 4 -5.633 -5.352 -4.400 33 1HB ALA 4 1HB ALA 4 -5.142 -5.617 -6.797 34 2HB ALA 4 2HB ALA 4 -5.392 -3.885 -7.022 35 3HB ALA 4 3HB ALA 4 -6.733 -4.911 -6.509 36 H GLU 5 H GLU 5 -3.507 -6.038 -5.903 37 HA GLU 5 HA GLU 5 -1.338 -5.095 -4.323 38 1HB GLU 5 2HB GLU 5 0.029 -6.651 -5.690 39 2HB GLU 5 1HB GLU 5 -1.366 -7.408 -4.934 40 1HG GLU 5 2HG GLU 5 -2.572 -7.278 -7.066 41 2HG GLU 5 1HG GLU 5 -1.140 -6.566 -7.814 42 H ALA 6 H ALA 6 0.253 -3.808 -4.790 43 HA ALA 6 HA ALA 6 1.460 -2.144 -5.716 44 1HB ALA 6 1HB ALA 6 0.771 -3.786 -8.095 45 2HB ALA 6 2HB ALA 6 2.348 -3.352 -7.435 46 3HB ALA 6 3HB ALA 6 1.428 -2.172 -8.369 47 H ALA 7 H ALA 7 -1.155 -1.626 -4.905 48 HA ALA 7 HA ALA 7 -2.050 0.370 -6.881 49 1HB ALA 7 1HB ALA 7 -3.505 -1.570 -5.463 50 2HB ALA 7 2HB ALA 7 -4.139 -0.281 -6.487 51 3HB ALA 7 3HB ALA 7 -3.938 -0.015 -4.755 52 H ASP 8 H ASP 8 -2.207 2.509 -6.294 53 HA ASP 8 HA ASP 8 -0.594 3.438 -4.195 54 1HB ASP 8 2HB ASP 8 -1.527 5.664 -4.702 55 2HB ASP 8 1HB ASP 8 -1.040 4.806 -6.159 56 H CYS 9 H CYS 9 -1.116 4.470 -2.228 57 HA CYS 9 HA CYS 9 -3.841 4.320 -1.258 58 1HB CYS 9 2HB CYS 9 -3.157 2.989 0.763 59 2HB CYS 9 1HB CYS 9 -3.164 2.079 -0.743 60 H SER 10 H SER 10 -3.484 4.685 1.381 61 HA SER 10 HA SER 10 -1.508 6.720 1.905 62 1HB SER 10 2HB SER 10 -4.467 7.385 1.861 63 2HB SER 10 1HB SER 10 -3.219 8.418 2.558 64 HG SER 10 HG SER 10 -2.671 7.616 -0.010 65 HA PRO 11 HA PRO 11 -1.607 4.912 5.885 66 1HB PRO 11 2HB PRO 11 -1.215 7.237 7.376 67 2HB PRO 11 1HB PRO 11 0.054 6.234 6.666 68 1HG PRO 11 2HG PRO 11 -1.176 8.750 5.633 69 2HG PRO 11 1HG PRO 11 0.509 8.208 5.554 70 1HD PRO 11 2HD PRO 11 -1.077 8.075 3.419 71 2HD PRO 11 1HD PRO 11 0.104 6.793 3.765 72 H TRP 12 H TRP 12 -3.574 7.856 5.476 73 HA TRP 12 HA TRP 12 -5.526 6.643 7.316 74 1HB TRP 12 2HB TRP 12 -4.968 9.608 7.108 75 2HB TRP 12 1HB TRP 12 -6.093 8.825 8.209 76 HD1 TRP 12 HD TRP 12 -4.949 7.315 10.211 77 HE1 TRP 12 1HE TRP 12 -2.710 7.651 11.436 78 HE3 TRP 12 3HE TRP 12 -2.646 10.418 6.862 79 HZ2 TRP 12 2HZ TRP 12 -0.292 9.052 11.039 80 HZ3 TRP 12 3HZ TRP 12 -0.373 11.216 7.363 81 HH2 TRP 12 HH TRP 12 0.778 10.546 9.409 82 H SER 13 H SER 13 -5.182 9.211 4.876 83 HA SER 13 HA SER 13 -7.967 9.091 4.193 84 1HB SER 13 2HB SER 13 -6.704 11.212 4.145 85 2HB SER 13 1HB SER 13 -5.697 10.576 2.846 86 HG SER 13 HG SER 13 -7.520 10.487 1.529 87 H GLY 14 H GLY 14 -7.500 6.609 3.747 88 1HA GLY 14 2HA GLY 14 -7.739 6.303 0.910 89 2HA GLY 14 1HA GLY 14 -6.198 5.698 1.500 90 H ASP 15 H ASP 15 -8.409 4.268 0.259 91 HA ASP 15 HA ASP 15 -9.888 2.767 2.127 92 1HB ASP 15 2HB ASP 15 -9.135 2.402 -0.749 93 2HB ASP 15 1HB ASP 15 -9.841 1.048 0.119 94 H SER 16 H SER 16 -9.599 0.514 2.705 95 HA SER 16 HA SER 16 -6.885 -0.034 3.485 96 1HB SER 16 2HB SER 16 -9.230 -1.906 3.754 97 2HB SER 16 1HB SER 16 -7.781 -1.835 4.751 98 HG SER 16 HG SER 16 -8.853 0.544 4.899 99 H CYS 17 H CYS 17 -5.581 -1.670 2.735 100 HA CYS 17 HA CYS 17 -5.976 -2.450 0.006 101 1HB CYS 17 2HB CYS 17 -3.852 -3.546 1.840 102 2HB CYS 17 1HB CYS 17 -3.779 -3.300 0.099 103 H CYS 18 H CYS 18 -6.416 -4.464 -0.820 104 HA CYS 18 HA CYS 18 -7.935 -6.313 0.673 105 1HB CYS 18 2HB CYS 18 -6.407 -6.874 -1.882 106 2HB CYS 18 1HB CYS 18 -7.783 -7.770 -1.266 107 H LYS 19 H LYS 19 -7.374 -8.340 1.488 108 HA LYS 19 HA LYS 19 -4.616 -8.482 2.314 109 1HB LYS 19 2HB LYS 19 -6.794 -10.467 2.935 110 2HB LYS 19 1HB LYS 19 -5.283 -10.230 3.783 111 1HG LYS 19 2HG LYS 19 -7.691 -8.451 3.777 112 2HG LYS 19 1HG LYS 19 -6.925 -9.256 5.145 113 1HD LYS 19 2HD LYS 19 -5.734 -7.007 3.516 114 2HD LYS 19 1HD LYS 19 -6.431 -6.858 5.128 115 1HE LYS 19 2HE LYS 19 -4.700 -8.221 6.070 116 2HE LYS 19 1HE LYS 19 -4.076 -8.619 4.469 117 1HZ LYS 19 1HZ LYS 19 -4.192 -5.822 5.415 118 2HZ LYS 19 2HZ LYS 19 -3.237 -6.479 4.180 119 3HZ LYS 19 3HZ LYS 19 -2.883 -6.821 5.800 120 HA PRO 20 HA PRO 20 -3.466 -9.952 3.136 121 1HB PRO 20 2HB PRO 20 -1.179 -11.317 2.939 122 2HB PRO 20 1HB PRO 20 -2.719 -12.137 3.217 123 1HG PRO 20 2HG PRO 20 -1.074 -11.997 0.756 124 2HG PRO 20 1HG PRO 20 -2.190 -13.262 1.294 125 1HD PRO 20 2HD PRO 20 -2.696 -11.153 -0.574 126 2HD PRO 20 1HD PRO 20 -3.836 -12.379 0.017 127 H TYR 21 H TYR 21 -3.274 -8.092 0.842 128 HA TYR 21 HA TYR 21 -0.445 -7.410 0.704 129 1HB TYR 21 2HB TYR 21 -2.745 -5.769 -0.402 130 2HB TYR 21 1HB TYR 21 -1.052 -5.720 -0.877 131 HD1 TYR 21 1HD TYR 21 -4.226 -7.045 -1.678 132 HD2 TYR 21 2HD TYR 21 -0.075 -7.961 -1.815 133 HE1 TYR 21 1HE TYR 21 -4.662 -8.733 -3.412 134 HE2 TYR 21 2HE TYR 21 -0.497 -9.645 -3.552 135 HH TYR 21 HH TYR 21 -2.266 -10.067 -5.328 136 H LEU 22 H LEU 22 0.260 -5.175 1.144 137 HA LEU 22 HA LEU 22 -1.161 -3.919 3.388 138 1HB LEU 22 2HB LEU 22 0.524 -5.445 4.314 139 2HB LEU 22 1HB LEU 22 1.764 -4.677 3.342 140 HG LEU 22 HG LEU 22 1.312 -2.547 4.609 141 1HD1 LEU 22 1HD1 LEU 22 0.167 -2.769 6.774 142 2HD1 LEU 22 2HD1 LEU 22 -0.307 -4.411 6.336 143 3HD1 LEU 22 3HD1 LEU 22 -0.915 -3.040 5.409 144 1HD2 LEU 22 1HD2 LEU 22 2.147 -3.978 6.850 145 2HD2 LEU 22 2HD2 LEU 22 3.167 -3.248 5.611 146 3HD2 LEU 22 3HD2 LEU 22 2.678 -4.937 5.469 147 H CYS 23 H CYS 23 -0.939 -1.704 3.491 148 HA CYS 23 HA CYS 23 -0.051 -0.361 1.127 149 1HB CYS 23 2HB CYS 23 -2.002 0.424 2.340 150 2HB CYS 23 1HB CYS 23 -1.028 0.721 3.771 151 H SER 24 H SER 24 2.105 -0.890 1.068 152 HA SER 24 HA SER 24 3.907 -0.089 3.164 153 1HB SER 24 2HB SER 24 5.659 -0.842 1.514 154 2HB SER 24 1HB SER 24 4.468 -2.072 1.930 155 HG SER 24 HG SER 24 3.675 -0.577 -0.197 156 H CYS 25 H CYS 25 5.156 1.720 3.230 157 HA CYS 25 HA CYS 25 5.120 3.509 0.912 158 1HB CYS 25 2HB CYS 25 3.381 4.052 2.795 159 2HB CYS 25 1HB CYS 25 4.787 4.642 3.672 160 H ILE 26 H ILE 26 7.248 2.361 0.864 161 HA ILE 26 HA ILE 26 9.193 3.213 2.825 162 HB ILE 26 HB ILE 26 10.839 1.982 1.360 163 1HG1 ILE 26 2HG1 ILE 26 9.262 2.112 -0.689 164 2HG1 ILE 26 1HG1 ILE 26 10.163 0.626 -0.424 165 1HG2 ILE 26 1HG2 ILE 26 9.327 -0.263 1.913 166 2HG2 ILE 26 2HG2 ILE 26 8.732 0.949 3.048 167 3HG2 ILE 26 3HG2 ILE 26 10.450 0.550 3.004 168 1HD1 ILE 26 1HD1 ILE 26 7.730 0.413 -1.102 169 2HD1 ILE 26 2HD1 ILE 26 7.338 0.963 0.527 170 3HD1 ILE 26 3HD1 ILE 26 8.253 -0.527 0.296 171 H PHE 27 H PHE 27 11.453 3.662 1.471 172 HA PHE 27 HA PHE 27 11.114 6.360 0.625 173 1HB PHE 27 2HB PHE 27 13.529 4.555 0.686 174 2HB PHE 27 1HB PHE 27 13.596 6.251 0.222 175 HD1 PHE 27 1HD PHE 27 12.145 4.239 3.029 176 HD2 PHE 27 2HD PHE 27 14.361 7.670 1.836 177 HE1 PHE 27 1HE PHE 27 12.414 4.879 5.387 178 HE2 PHE 27 2HE PHE 27 14.635 8.315 4.194 179 HZ PHE 27 HZ PHE 27 13.661 6.920 5.973 180 H PHE 28 H PHE 28 12.309 3.460 -1.062 181 HA PHE 28 HA PHE 28 12.544 4.801 -3.559 182 1HB PHE 28 2HB PHE 28 13.843 2.748 -2.795 183 2HB PHE 28 1HB PHE 28 12.404 1.814 -3.185 184 HD1 PHE 28 1HD PHE 28 13.869 4.706 -5.003 185 HD2 PHE 28 2HD PHE 28 13.041 0.531 -5.016 186 HE1 PHE 28 1HE PHE 28 14.603 4.572 -7.348 187 HE2 PHE 28 2HE PHE 28 13.774 0.390 -7.360 188 HZ PHE 28 HZ PHE 28 14.555 2.412 -8.530 189 H TYR 29 H TYR 29 9.934 3.209 -1.963 190 HA TYR 29 HA TYR 29 8.308 3.595 -4.384 191 1HB TYR 29 2HB TYR 29 8.033 1.263 -2.473 192 2HB TYR 29 1HB TYR 29 7.005 1.584 -3.862 193 HD1 TYR 29 1HD TYR 29 7.921 1.330 -6.157 194 HD2 TYR 29 2HD TYR 29 10.138 0.178 -2.713 195 HE1 TYR 29 1HE TYR 29 9.391 -0.042 -7.571 196 HE2 TYR 29 2HE TYR 29 11.619 -1.192 -4.118 197 HH TYR 29 HH TYR 29 12.182 -0.956 -6.986 198 HA PRO 30 HA PRO 30 6.073 6.139 -1.477 199 1HB PRO 30 2HB PRO 30 4.095 6.266 -3.663 200 2HB PRO 30 1HB PRO 30 4.976 7.574 -2.866 201 1HG PRO 30 2HG PRO 30 5.560 6.818 -5.369 202 2HG PRO 30 1HG PRO 30 6.821 7.349 -4.238 203 1HD PRO 30 2HD PRO 30 6.067 4.572 -5.072 204 2HD PRO 30 1HD PRO 30 7.679 5.274 -4.816 205 H CYS 31 H CYS 31 3.725 6.298 -0.787 206 HA CYS 31 HA CYS 31 2.885 3.951 0.368 207 1HB CYS 31 2HB CYS 31 1.284 6.411 -0.339 208 2HB CYS 31 1HB CYS 31 0.666 5.107 0.662 209 H SER 32 H SER 32 2.451 2.159 -0.692 210 HA SER 32 HA SER 32 0.175 2.062 -2.460 211 1HB SER 32 2HB SER 32 1.527 0.762 -4.197 212 2HB SER 32 1HB SER 32 1.791 2.504 -4.152 213 HG SER 32 HG SER 32 3.651 2.051 -2.807 214 H CYS 33 H CYS 33 -0.857 0.127 -2.308 215 HA CYS 33 HA CYS 33 0.000 -1.688 -0.273 216 1HB CYS 33 2HB CYS 33 -2.214 -2.203 -2.260 217 2HB CYS 33 1HB CYS 33 -2.029 -2.858 -0.645 218 H ARG 34 H ARG 34 1.157 -3.445 -0.497 219 HA ARG 34 HA ARG 34 1.389 -4.778 -3.092 220 1HB ARG 34 2HB ARG 34 3.928 -4.449 -1.574 221 2HB ARG 34 1HB ARG 34 3.671 -4.531 -3.310 222 1HG ARG 34 2HG ARG 34 2.568 -2.163 -2.887 223 2HG ARG 34 1HG ARG 34 3.634 -2.196 -1.486 224 1HD ARG 34 2HD ARG 34 4.890 -1.149 -3.151 225 2HD ARG 34 1HD ARG 34 5.485 -2.810 -3.134 226 HE ARG 34 HE ARG 34 3.441 -2.693 -5.007 227 1HH1 ARG 34 1HH1 ARG 34 6.584 -1.264 -4.531 228 2HH1 ARG 34 2HH1 ARG 34 6.917 -1.096 -6.222 229 1HH2 ARG 34 1HH2 ARG 34 3.855 -2.473 -7.254 230 2HH2 ARG 34 2HH2 ARG 34 5.354 -1.786 -7.779 231 HA PRO 35 HA PRO 35 1.181 -8.598 -0.896 232 1HB PRO 35 2HB PRO 35 4.027 -9.133 -1.641 233 2HB PRO 35 1HB PRO 35 2.609 -10.178 -1.798 234 1HG PRO 35 2HG PRO 35 3.625 -8.912 -3.918 235 2HG PRO 35 1HG PRO 35 1.877 -9.124 -3.722 236 1HD PRO 35 2HD PRO 35 3.530 -6.679 -3.406 237 2HD PRO 35 1HD PRO 35 1.831 -6.840 -3.883 238 H LYS 36 H LYS 36 1.508 -9.237 1.205 239 HA LYS 36 HA LYS 36 3.135 -7.541 2.839 240 1HB LYS 36 2HB LYS 36 1.021 -8.316 3.718 241 2HB LYS 36 1HB LYS 36 1.495 -9.995 3.490 242 1HG LYS 36 2HG LYS 36 3.460 -9.310 5.104 243 2HG LYS 36 1HG LYS 36 2.315 -8.059 5.590 244 1HD LYS 36 2HD LYS 36 2.132 -10.054 7.004 245 2HD LYS 36 1HD LYS 36 0.647 -9.761 6.097 246 1HE LYS 36 2HE LYS 36 1.306 -12.147 6.130 247 2HE LYS 36 1HE LYS 36 1.223 -11.476 4.503 248 1HZ LYS 36 1HZ LYS 36 3.789 -11.552 5.958 249 2HZ LYS 36 2HZ LYS 36 3.516 -11.493 4.286 250 3HZ LYS 36 3HZ LYS 36 3.227 -12.926 5.144 251 H GLY 37 H GLY 37 5.253 -7.798 2.743 252 1HA GLY 37 2HA GLY 37 7.221 -8.899 3.478 253 2HA GLY 37 1HA GLY 37 6.377 -10.440 3.344 254 H TRP 38 H TRP 38 6.703 -7.775 1.071 255 HA TRP 38 HA TRP 38 7.245 -9.526 -1.118 256 1HB TRP 38 2HB TRP 38 7.214 -7.537 -2.470 257 2HB TRP 38 1HB TRP 38 5.937 -7.378 -1.272 258 HD1 TRP 38 HD TRP 38 9.032 -5.687 -2.543 259 HE1 TRP 38 1HE TRP 38 9.488 -3.548 -1.199 260 HE3 TRP 38 3HE TRP 38 5.665 -6.365 1.249 261 HZ2 TRP 38 2HZ TRP 38 8.552 -2.305 1.152 262 HZ3 TRP 38 3HZ TRP 38 5.513 -4.654 3.006 263 HH2 TRP 38 HH TRP 38 6.927 -2.667 2.958 Start of MODEL 5 1 1H LYS 1 1HT LYS 1 -14.431 -3.471 -1.023 2 2H LYS 1 2HT LYS 1 -14.654 -4.312 -2.475 3 3H LYS 1 3HT LYS 1 -15.604 -2.955 -2.129 4 HA LYS 1 HA LYS 1 -13.463 -2.866 -3.683 5 1HB LYS 1 2HB LYS 1 -14.458 -0.751 -1.751 6 2HB LYS 1 1HB LYS 1 -13.430 -0.420 -3.139 7 1HG LYS 1 2HG LYS 1 -15.164 -1.164 -4.647 8 2HG LYS 1 1HG LYS 1 -16.186 -1.623 -3.287 9 1HD LYS 1 2HD LYS 1 -16.986 0.472 -4.064 10 2HD LYS 1 1HD LYS 1 -16.122 0.789 -2.563 11 1HE LYS 1 2HE LYS 1 -14.622 1.002 -5.125 12 2HE LYS 1 1HE LYS 1 -15.768 2.277 -4.727 13 1HZ LYS 1 1HZ LYS 1 -13.245 1.553 -3.404 14 2HZ LYS 1 2HZ LYS 1 -14.488 2.196 -2.451 15 3HZ LYS 1 3HZ LYS 1 -13.885 3.080 -3.756 16 H CYS 2 H CYS 2 -11.286 -2.860 -3.545 17 HA CYS 2 HA CYS 2 -9.906 -1.978 -1.209 18 1HB CYS 2 2HB CYS 2 -8.754 -4.101 -0.716 19 2HB CYS 2 1HB CYS 2 -10.479 -4.198 -0.403 20 H LEU 3 H LEU 3 -7.634 -1.954 -1.488 21 HA LEU 3 HA LEU 3 -6.911 -1.372 -4.208 22 1HB LEU 3 2HB LEU 3 -5.280 -1.332 -1.677 23 2HB LEU 3 1HB LEU 3 -4.791 -0.656 -3.214 24 HG LEU 3 HG LEU 3 -7.124 0.279 -1.554 25 1HD1 LEU 3 1HD1 LEU 3 -4.576 0.716 -0.948 26 2HD1 LEU 3 2HD1 LEU 3 -5.830 1.935 -0.721 27 3HD1 LEU 3 3HD1 LEU 3 -4.789 1.994 -2.144 28 1HD2 LEU 3 1HD2 LEU 3 -5.963 1.645 -3.965 29 2HD2 LEU 3 2HD2 LEU 3 -7.495 1.959 -3.149 30 3HD2 LEU 3 3HD2 LEU 3 -7.286 0.484 -4.094 31 H ALA 4 H ALA 4 -5.813 -2.613 -5.582 32 HA ALA 4 HA ALA 4 -5.185 -5.322 -4.868 33 1HB ALA 4 1HB ALA 4 -4.207 -4.612 -7.460 34 2HB ALA 4 2HB ALA 4 -5.822 -3.941 -7.228 35 3HB ALA 4 3HB ALA 4 -5.547 -5.671 -7.025 36 H GLU 5 H GLU 5 -3.004 -5.716 -6.611 37 HA GLU 5 HA GLU 5 -0.855 -5.290 -4.822 38 1HB GLU 5 2HB GLU 5 -0.679 -6.126 -7.715 39 2HB GLU 5 1HB GLU 5 0.535 -6.364 -6.471 40 1HG GLU 5 2HG GLU 5 -0.497 -8.450 -6.842 41 2HG GLU 5 1HG GLU 5 -1.091 -7.855 -5.294 42 H ALA 6 H ALA 6 0.638 -3.790 -4.746 43 HA ALA 6 HA ALA 6 1.802 -1.877 -5.097 44 1HB ALA 6 1HB ALA 6 1.819 -1.491 -7.856 45 2HB ALA 6 2HB ALA 6 1.722 -3.239 -7.640 46 3HB ALA 6 3HB ALA 6 3.034 -2.329 -6.892 47 H ALA 7 H ALA 7 -0.822 -1.451 -4.449 48 HA ALA 7 HA ALA 7 -1.582 0.781 -6.235 49 1HB ALA 7 1HB ALA 7 -3.234 -1.110 -4.612 50 2HB ALA 7 2HB ALA 7 -3.386 -0.664 -6.312 51 3HB ALA 7 3HB ALA 7 -3.867 0.476 -5.055 52 H ASP 8 H ASP 8 -1.414 2.786 -5.459 53 HA ASP 8 HA ASP 8 -0.419 3.376 -2.913 54 1HB ASP 8 2HB ASP 8 -1.138 5.746 -3.449 55 2HB ASP 8 1HB ASP 8 -0.087 4.979 -4.634 56 H CYS 9 H CYS 9 -1.346 4.027 -0.995 57 HA CYS 9 HA CYS 9 -4.258 3.627 -0.862 58 1HB CYS 9 2HB CYS 9 -4.024 2.768 1.352 59 2HB CYS 9 1HB CYS 9 -2.854 1.938 0.342 60 H SER 10 H SER 10 -4.903 4.527 1.523 61 HA SER 10 HA SER 10 -3.868 7.178 2.018 62 1HB SER 10 2HB SER 10 -6.691 6.748 0.997 63 2HB SER 10 1HB SER 10 -6.124 8.240 1.746 64 HG SER 10 HG SER 10 -4.556 7.283 -0.327 65 HA PRO 11 HA PRO 11 -4.825 6.035 6.135 66 1HB PRO 11 2HB PRO 11 -5.453 8.554 7.122 67 2HB PRO 11 1HB PRO 11 -3.826 7.882 6.977 68 1HG PRO 11 2HG PRO 11 -5.272 9.758 5.161 69 2HG PRO 11 1HG PRO 11 -3.562 9.735 5.622 70 1HD PRO 11 2HD PRO 11 -4.374 8.841 3.236 71 2HD PRO 11 1HD PRO 11 -3.043 8.062 4.116 72 H TRP 12 H TRP 12 -7.163 8.258 4.606 73 HA TRP 12 HA TRP 12 -9.301 6.697 5.869 74 1HB TRP 12 2HB TRP 12 -9.240 9.722 5.787 75 2HB TRP 12 1HB TRP 12 -10.580 8.742 6.364 76 HD1 TRP 12 HD TRP 12 -10.120 7.333 8.682 77 HE1 TRP 12 1HE TRP 12 -8.634 7.931 10.694 78 HE3 TRP 12 3HE TRP 12 -7.156 10.870 6.480 79 HZ2 TRP 12 2HZ TRP 12 -6.494 9.678 11.276 80 HZ3 TRP 12 3HZ TRP 12 -5.418 11.962 7.837 81 HH2 TRP 12 HH TRP 12 -5.096 11.377 10.185 82 H SER 13 H SER 13 -8.692 9.337 3.561 83 HA SER 13 HA SER 13 -11.033 8.767 2.030 84 1HB SER 13 2HB SER 13 -8.671 10.463 1.214 85 2HB SER 13 1HB SER 13 -10.334 10.584 0.638 86 HG SER 13 HG SER 13 -10.675 11.889 2.236 87 H GLY 14 H GLY 14 -9.954 6.359 2.013 88 1HA GLY 14 2HA GLY 14 -9.464 5.841 -0.736 89 2HA GLY 14 1HA GLY 14 -7.966 5.733 0.175 90 H ASP 15 H ASP 15 -9.502 3.675 -1.253 91 HA ASP 15 HA ASP 15 -10.837 1.953 0.523 92 1HB ASP 15 2HB ASP 15 -9.477 1.542 -2.121 93 2HB ASP 15 1HB ASP 15 -10.064 0.160 -1.211 94 H SER 16 H SER 16 -10.138 0.025 1.498 95 HA SER 16 HA SER 16 -7.470 0.160 2.575 96 1HB SER 16 2HB SER 16 -9.531 -2.017 2.972 97 2HB SER 16 1HB SER 16 -8.157 -1.645 4.010 98 HG SER 16 HG SER 16 -9.575 0.572 3.767 99 H CYS 17 H CYS 17 -5.892 -1.521 2.339 100 HA CYS 17 HA CYS 17 -5.606 -2.493 -0.293 101 1HB CYS 17 2HB CYS 17 -4.200 -3.470 2.206 102 2HB CYS 17 1HB CYS 17 -3.660 -3.706 0.550 103 H CYS 18 H CYS 18 -5.943 -4.520 -1.180 104 HA CYS 18 HA CYS 18 -7.929 -6.192 -0.014 105 1HB CYS 18 2HB CYS 18 -5.992 -6.820 -2.265 106 2HB CYS 18 1HB CYS 18 -7.428 -7.750 -1.862 107 H LYS 19 H LYS 19 -7.687 -8.212 0.937 108 HA LYS 19 HA LYS 19 -5.269 -8.474 2.448 109 1HB LYS 19 2HB LYS 19 -6.419 -10.410 3.463 110 2HB LYS 19 1HB LYS 19 -7.371 -8.941 3.524 111 1HG LYS 19 2HG LYS 19 -8.710 -9.708 1.651 112 2HG LYS 19 1HG LYS 19 -7.725 -11.167 1.528 113 1HD LYS 19 2HD LYS 19 -9.314 -10.383 3.963 114 2HD LYS 19 1HD LYS 19 -9.885 -11.497 2.720 115 1HE LYS 19 2HE LYS 19 -7.965 -12.963 3.179 116 2HE LYS 19 1HE LYS 19 -7.435 -11.854 4.444 117 1HZ LYS 19 1HZ LYS 19 -10.153 -12.610 4.805 118 2HZ LYS 19 2HZ LYS 19 -8.850 -12.761 5.872 119 3HZ LYS 19 3HZ LYS 19 -9.154 -13.974 4.734 120 HA PRO 20 HA PRO 20 -4.138 -9.593 3.400 121 1HB PRO 20 2HB PRO 20 -1.913 -11.003 3.815 122 2HB PRO 20 1HB PRO 20 -3.500 -11.781 3.848 123 1HG PRO 20 2HG PRO 20 -1.365 -11.968 1.818 124 2HG PRO 20 1HG PRO 20 -2.686 -13.093 2.164 125 1HD PRO 20 2HD PRO 20 -2.549 -11.027 0.126 126 2HD PRO 20 1HD PRO 20 -3.805 -12.259 0.375 127 H TYR 21 H TYR 21 -3.371 -8.179 0.861 128 HA TYR 21 HA TYR 21 -0.595 -7.548 1.016 129 1HB TYR 21 2HB TYR 21 -2.739 -5.860 -0.308 130 2HB TYR 21 1HB TYR 21 -1.007 -5.823 -0.609 131 HD1 TYR 21 1HD TYR 21 -4.076 -7.807 -1.090 132 HD2 TYR 21 2HD TYR 21 0.054 -7.418 -2.024 133 HE1 TYR 21 1HE TYR 21 -4.321 -9.504 -2.847 134 HE2 TYR 21 2HE TYR 21 -0.180 -9.112 -3.786 135 HH TYR 21 HH TYR 21 -2.814 -9.930 -5.188 136 H LEU 22 H LEU 22 0.351 -5.534 1.567 137 HA LEU 22 HA LEU 22 -1.143 -4.016 3.599 138 1HB LEU 22 2HB LEU 22 0.330 -5.633 4.696 139 2HB LEU 22 1HB LEU 22 1.696 -5.028 3.780 140 HG LEU 22 HG LEU 22 1.349 -2.805 4.927 141 1HD1 LEU 22 1HD1 LEU 22 -0.416 -4.439 6.738 142 2HD1 LEU 22 2HD1 LEU 22 -0.988 -3.220 5.599 143 3HD1 LEU 22 3HD1 LEU 22 0.043 -2.750 6.951 144 1HD2 LEU 22 1HD2 LEU 22 2.653 -5.131 5.769 145 2HD2 LEU 22 2HD2 LEU 22 1.881 -4.469 7.210 146 3HD2 LEU 22 3HD2 LEU 22 2.989 -3.473 6.266 147 H CYS 23 H CYS 23 -0.870 -1.830 3.513 148 HA CYS 23 HA CYS 23 0.483 -0.734 1.238 149 1HB CYS 23 2HB CYS 23 -1.645 0.214 2.260 150 2HB CYS 23 1HB CYS 23 -0.640 0.825 3.573 151 H SER 24 H SER 24 2.533 -0.124 1.124 152 HA SER 24 HA SER 24 3.957 0.385 3.644 153 1HB SER 24 2HB SER 24 5.970 -0.641 2.378 154 2HB SER 24 1HB SER 24 4.736 -1.734 2.996 155 HG SER 24 HG SER 24 3.887 -1.914 0.953 156 H CYS 25 H CYS 25 5.141 2.178 3.725 157 HA CYS 25 HA CYS 25 5.187 3.891 1.354 158 1HB CYS 25 2HB CYS 25 5.884 4.674 4.187 159 2HB CYS 25 1HB CYS 25 5.458 5.734 2.848 160 H ILE 26 H ILE 26 6.963 2.456 0.515 161 HA ILE 26 HA ILE 26 9.501 2.650 1.860 162 HB ILE 26 HB ILE 26 10.448 1.522 -0.154 163 1HG1 ILE 26 2HG1 ILE 26 8.531 2.375 -1.675 164 2HG1 ILE 26 1HG1 ILE 26 9.152 0.750 -1.937 165 1HG2 ILE 26 1HG2 ILE 26 9.587 -0.635 0.408 166 2HG2 ILE 26 2HG2 ILE 26 8.108 0.071 1.060 167 3HG2 ILE 26 3HG2 ILE 26 9.648 0.343 1.874 168 1HD1 ILE 26 1HD1 ILE 26 7.242 -0.245 -1.051 169 2HD1 ILE 26 2HD1 ILE 26 6.621 1.114 -1.987 170 3HD1 ILE 26 3HD1 ILE 26 6.736 1.232 -0.231 171 H PHE 27 H PHE 27 11.382 3.108 0.056 172 HA PHE 27 HA PHE 27 11.195 5.956 -0.318 173 1HB PHE 27 2HB PHE 27 13.404 3.985 -0.885 174 2HB PHE 27 1HB PHE 27 13.561 5.720 -1.116 175 HD1 PHE 27 1HD PHE 27 14.584 6.900 0.550 176 HD2 PHE 27 2HD PHE 27 12.494 3.335 1.567 177 HE1 PHE 27 1HE PHE 27 15.296 7.154 2.892 178 HE2 PHE 27 2HE PHE 27 13.199 3.586 3.910 179 HZ PHE 27 HZ PHE 27 14.603 5.496 4.575 180 H PHE 28 H PHE 28 11.738 3.165 -2.433 181 HA PHE 28 HA PHE 28 11.877 4.621 -4.837 182 1HB PHE 28 2HB PHE 28 11.274 1.720 -4.276 183 2HB PHE 28 1HB PHE 28 11.391 2.367 -5.906 184 HD1 PHE 28 1HD PHE 28 13.356 1.881 -6.948 185 HD2 PHE 28 2HD PHE 28 13.410 2.632 -2.760 186 HE1 PHE 28 1HE PHE 28 15.790 1.527 -6.919 187 HE2 PHE 28 2HE PHE 28 15.844 2.283 -2.724 188 HZ PHE 28 HZ PHE 28 17.037 1.730 -4.806 189 H TYR 29 H TYR 29 9.206 3.493 -2.964 190 HA TYR 29 HA TYR 29 7.369 4.741 -4.865 191 1HB TYR 29 2HB TYR 29 7.013 1.932 -3.789 192 2HB TYR 29 1HB TYR 29 5.758 2.845 -4.614 193 HD1 TYR 29 1HD TYR 29 5.793 3.123 -7.006 194 HD2 TYR 29 2HD TYR 29 8.939 1.053 -5.026 195 HE1 TYR 29 1HE TYR 29 6.558 2.231 -9.164 196 HE2 TYR 29 2HE TYR 29 9.717 0.162 -7.181 197 HH TYR 29 HH TYR 29 9.320 1.194 -9.853 198 HA PRO 30 HA PRO 30 5.811 6.411 -1.062 199 1HB PRO 30 2HB PRO 30 3.288 6.849 -2.519 200 2HB PRO 30 1HB PRO 30 4.374 8.028 -1.780 201 1HG PRO 30 2HG PRO 30 4.173 7.773 -4.445 202 2HG PRO 30 1HG PRO 30 5.711 8.172 -3.657 203 1HD PRO 30 2HD PRO 30 4.759 5.548 -4.742 204 2HD PRO 30 1HD PRO 30 6.370 6.291 -4.843 205 H CYS 31 H CYS 31 3.492 6.328 0.089 206 HA CYS 31 HA CYS 31 3.116 3.763 1.037 207 1HB CYS 31 2HB CYS 31 1.063 5.984 0.956 208 2HB CYS 31 1HB CYS 31 1.033 4.586 2.026 209 H SER 32 H SER 32 2.673 2.082 -0.225 210 HA SER 32 HA SER 32 0.140 2.070 -1.648 211 1HB SER 32 2HB SER 32 1.372 1.001 -3.651 212 2HB SER 32 1HB SER 32 1.480 2.750 -3.458 213 HG SER 32 HG SER 32 3.514 2.369 -2.360 214 H CYS 33 H CYS 33 -0.791 0.073 -1.781 215 HA CYS 33 HA CYS 33 0.012 -1.906 0.042 216 1HB CYS 33 2HB CYS 33 -1.861 -2.385 -2.269 217 2HB CYS 33 1HB CYS 33 -1.862 -3.153 -0.696 218 H ARG 34 H ARG 34 1.354 -3.475 -0.126 219 HA ARG 34 HA ARG 34 2.174 -4.503 -2.757 220 1HB ARG 34 2HB ARG 34 4.018 -4.117 -0.374 221 2HB ARG 34 1HB ARG 34 4.471 -4.677 -1.970 222 1HG ARG 34 2HG ARG 34 3.358 -1.939 -1.455 223 2HG ARG 34 1HG ARG 34 5.080 -2.318 -1.437 224 1HD ARG 34 2HD ARG 34 5.088 -2.883 -3.721 225 2HD ARG 34 1HD ARG 34 3.327 -2.964 -3.786 226 HE ARG 34 HE ARG 34 3.836 -0.386 -3.081 227 1HH1 ARG 34 1HH1 ARG 34 5.004 -2.406 -5.689 228 2HH1 ARG 34 2HH1 ARG 34 5.047 -1.116 -6.842 229 1HH2 ARG 34 1HH2 ARG 34 3.873 1.311 -4.581 230 2HH2 ARG 34 2HH2 ARG 34 4.398 1.013 -6.212 231 HA PRO 35 HA PRO 35 1.304 -8.496 -1.105 232 1HB PRO 35 2HB PRO 35 3.738 -9.846 -1.337 233 2HB PRO 35 1HB PRO 35 2.478 -9.753 -2.567 234 1HG PRO 35 2HG PRO 35 5.019 -8.245 -2.337 235 2HG PRO 35 1HG PRO 35 4.119 -8.725 -3.785 236 1HD PRO 35 2HD PRO 35 4.160 -6.187 -2.828 237 2HD PRO 35 1HD PRO 35 2.789 -6.852 -3.723 238 H LYS 36 H LYS 36 1.531 -9.790 0.772 239 HA LYS 36 HA LYS 36 2.736 -8.389 2.970 240 1HB LYS 36 2HB LYS 36 0.538 -9.730 2.975 241 2HB LYS 36 1HB LYS 36 1.554 -11.161 3.072 242 1HG LYS 36 2HG LYS 36 0.763 -10.507 5.268 243 2HG LYS 36 1HG LYS 36 2.518 -10.336 5.162 244 1HD LYS 36 2HD LYS 36 2.366 -7.977 4.967 245 2HD LYS 36 1HD LYS 36 0.624 -8.043 4.694 246 1HE LYS 36 2HE LYS 36 2.007 -8.850 7.249 247 2HE LYS 36 1HE LYS 36 1.224 -7.294 6.973 248 1HZ LYS 36 1HZ LYS 36 -0.011 -9.963 7.212 249 2HZ LYS 36 2HZ LYS 36 -0.821 -8.707 6.420 250 3HZ LYS 36 3HZ LYS 36 -0.388 -8.540 8.047 251 H GLY 37 H GLY 37 4.820 -8.535 3.381 252 1HA GLY 37 2HA GLY 37 6.845 -9.554 3.919 253 2HA GLY 37 1HA GLY 37 6.141 -11.113 3.493 254 H TRP 38 H TRP 38 6.415 -8.113 1.670 255 HA TRP 38 HA TRP 38 7.169 -9.440 -0.722 256 1HB TRP 38 2HB TRP 38 7.064 -7.313 -1.739 257 2HB TRP 38 1HB TRP 38 5.856 -7.241 -0.463 258 HD1 TRP 38 HD TRP 38 9.202 -5.787 -1.509 259 HE1 TRP 38 1HE TRP 38 9.763 -3.765 -0.029 260 HE3 TRP 38 3HE TRP 38 5.421 -6.199 1.911 261 HZ2 TRP 38 2HZ TRP 38 8.744 -2.508 2.279 262 HZ3 TRP 38 3HZ TRP 38 5.291 -4.550 3.724 263 HH2 TRP 38 HH TRP 38 6.917 -2.740 3.903 Start of MODEL 6 1 1H LYS 1 1HT LYS 1 -14.575 -0.565 -1.910 2 2H LYS 1 2HT LYS 1 -14.708 -0.176 -3.549 3 3H LYS 1 3HT LYS 1 -13.378 0.380 -2.650 4 HA LYS 1 HA LYS 1 -13.890 -2.505 -2.897 5 1HB LYS 1 2HB LYS 1 -12.236 -2.381 -4.859 6 2HB LYS 1 1HB LYS 1 -13.901 -1.932 -5.172 7 1HG LYS 1 2HG LYS 1 -12.740 -0.293 -6.288 8 2HG LYS 1 1HG LYS 1 -13.065 0.490 -4.743 9 1HD LYS 1 2HD LYS 1 -10.826 -0.015 -3.976 10 2HD LYS 1 1HD LYS 1 -10.495 -0.925 -5.451 11 1HE LYS 1 2HE LYS 1 -9.489 1.282 -5.578 12 2HE LYS 1 1HE LYS 1 -10.778 1.128 -6.769 13 1HZ LYS 1 1HZ LYS 1 -10.495 3.114 -4.881 14 2HZ LYS 1 2HZ LYS 1 -11.769 2.166 -4.305 15 3HZ LYS 1 3HZ LYS 1 -11.846 2.836 -5.861 16 H CYS 2 H CYS 2 -11.231 -3.068 -3.547 17 HA CYS 2 HA CYS 2 -9.798 -1.883 -1.280 18 1HB CYS 2 2HB CYS 2 -8.783 -4.046 -0.768 19 2HB CYS 2 1HB CYS 2 -10.529 -4.112 -0.623 20 H LEU 3 H LEU 3 -7.527 -1.918 -1.425 21 HA LEU 3 HA LEU 3 -6.620 -1.389 -4.126 22 1HB LEU 3 2HB LEU 3 -5.194 -1.159 -1.479 23 2HB LEU 3 1HB LEU 3 -4.622 -0.533 -3.008 24 HG LEU 3 HG LEU 3 -7.091 0.389 -1.546 25 1HD1 LEU 3 1HD1 LEU 3 -4.406 1.021 -1.109 26 2HD1 LEU 3 2HD1 LEU 3 -5.824 1.866 -0.488 27 3HD1 LEU 3 3HD1 LEU 3 -5.080 2.386 -2.000 28 1HD2 LEU 3 1HD2 LEU 3 -5.974 0.997 -4.238 29 2HD2 LEU 3 2HD2 LEU 3 -6.739 2.298 -3.325 30 3HD2 LEU 3 3HD2 LEU 3 -7.653 0.842 -3.720 31 H ALA 4 H ALA 4 -5.547 -2.836 -5.344 32 HA ALA 4 HA ALA 4 -4.823 -5.391 -4.248 33 1HB ALA 4 1HB ALA 4 -4.253 -4.355 -7.017 34 2HB ALA 4 2HB ALA 4 -5.792 -5.063 -6.529 35 3HB ALA 4 3HB ALA 4 -4.322 -6.036 -6.490 36 H GLU 5 H GLU 5 -2.544 -6.048 -5.690 37 HA GLU 5 HA GLU 5 -0.554 -4.922 -3.993 38 1HB GLU 5 2HB GLU 5 1.002 -6.367 -5.423 39 2HB GLU 5 1HB GLU 5 -0.200 -7.174 -4.428 40 1HG GLU 5 2HG GLU 5 -1.652 -7.297 -6.474 41 2HG GLU 5 1HG GLU 5 -0.252 -6.745 -7.398 42 H ALA 6 H ALA 6 0.820 -3.430 -4.321 43 HA ALA 6 HA ALA 6 2.020 -1.732 -5.202 44 1HB ALA 6 1HB ALA 6 1.763 -1.858 -7.982 45 2HB ALA 6 2HB ALA 6 1.798 -3.535 -7.441 46 3HB ALA 6 3HB ALA 6 3.111 -2.442 -7.007 47 H ALA 7 H ALA 7 -0.711 -1.510 -4.502 48 HA ALA 7 HA ALA 7 -1.687 0.468 -6.453 49 1HB ALA 7 1HB ALA 7 -3.862 0.106 -5.704 50 2HB ALA 7 2HB ALA 7 -3.324 -0.601 -4.181 51 3HB ALA 7 3HB ALA 7 -3.144 -1.504 -5.685 52 H ASP 8 H ASP 8 -1.773 2.571 -5.949 53 HA ASP 8 HA ASP 8 -0.438 3.603 -3.700 54 1HB ASP 8 2HB ASP 8 -0.855 4.733 -5.957 55 2HB ASP 8 1HB ASP 8 -2.463 5.115 -5.355 56 H CYS 9 H CYS 9 -1.117 4.131 -1.702 57 HA CYS 9 HA CYS 9 -3.852 3.460 -0.976 58 1HB CYS 9 2HB CYS 9 -1.728 4.449 0.909 59 2HB CYS 9 1HB CYS 9 -3.152 3.493 1.281 60 H SER 10 H SER 10 -5.172 4.859 0.283 61 HA SER 10 HA SER 10 -5.094 7.579 -0.656 62 1HB SER 10 2HB SER 10 -7.005 6.316 1.320 63 2HB SER 10 1HB SER 10 -7.261 7.790 0.381 64 HG SER 10 HG SER 10 -6.658 5.860 -1.323 65 HA PRO 11 HA PRO 11 -2.598 9.100 2.674 66 1HB PRO 11 2HB PRO 11 -3.397 11.740 2.449 67 2HB PRO 11 1HB PRO 11 -2.128 10.974 1.487 68 1HG PRO 11 2HG PRO 11 -4.994 11.470 0.797 69 2HG PRO 11 1HG PRO 11 -3.552 11.637 -0.218 70 1HD PRO 11 2HD PRO 11 -5.165 9.523 -0.451 71 2HD PRO 11 1HD PRO 11 -3.403 9.353 -0.602 72 H TRP 12 H TRP 12 -5.803 10.715 2.568 73 HA TRP 12 HA TRP 12 -5.810 10.759 5.471 74 1HB TRP 12 2HB TRP 12 -7.782 11.900 3.482 75 2HB TRP 12 1HB TRP 12 -7.876 12.109 5.228 76 HD1 TRP 12 HD TRP 12 -5.936 13.641 6.372 77 HE1 TRP 12 1HE TRP 12 -4.556 15.582 5.399 78 HE3 TRP 12 3HE TRP 12 -6.722 12.782 1.394 79 HZ2 TRP 12 2HZ TRP 12 -3.896 16.619 2.859 80 HZ3 TRP 12 3HZ TRP 12 -5.685 14.299 -0.243 81 HH2 TRP 12 HH TRP 12 -4.302 16.178 0.477 82 H SER 13 H SER 13 -8.062 9.678 2.934 83 HA SER 13 HA SER 13 -8.706 7.293 4.405 84 1HB SER 13 2HB SER 13 -10.836 9.417 4.008 85 2HB SER 13 1HB SER 13 -11.132 7.776 4.577 86 HG SER 13 HG SER 13 -9.202 8.915 6.061 87 H GLY 14 H GLY 14 -9.724 5.753 3.112 88 1HA GLY 14 2HA GLY 14 -10.993 6.234 0.670 89 2HA GLY 14 1HA GLY 14 -9.287 5.957 0.343 90 H ASP 15 H ASP 15 -9.589 4.024 -0.719 91 HA ASP 15 HA ASP 15 -11.074 1.878 0.492 92 1HB ASP 15 2HB ASP 15 -9.226 1.830 -1.902 93 2HB ASP 15 1HB ASP 15 -10.306 0.533 -1.416 94 H SER 16 H SER 16 -10.291 0.071 1.474 95 HA SER 16 HA SER 16 -7.636 0.263 2.607 96 1HB SER 16 2HB SER 16 -9.711 -1.907 2.990 97 2HB SER 16 1HB SER 16 -8.320 -1.572 4.022 98 HG SER 16 HG SER 16 -9.832 0.641 3.707 99 H CYS 17 H CYS 17 -6.073 -1.472 2.448 100 HA CYS 17 HA CYS 17 -5.707 -2.418 -0.193 101 1HB CYS 17 2HB CYS 17 -4.341 -3.450 2.305 102 2HB CYS 17 1HB CYS 17 -3.744 -3.546 0.655 103 H CYS 18 H CYS 18 -5.986 -4.449 -1.083 104 HA CYS 18 HA CYS 18 -7.985 -6.166 -0.011 105 1HB CYS 18 2HB CYS 18 -5.969 -6.802 -2.187 106 2HB CYS 18 1HB CYS 18 -7.484 -7.638 -1.890 107 H LYS 19 H LYS 19 -7.749 -8.184 0.917 108 HA LYS 19 HA LYS 19 -5.320 -8.513 2.402 109 1HB LYS 19 2HB LYS 19 -6.465 -10.418 3.426 110 2HB LYS 19 1HB LYS 19 -7.451 -8.975 3.470 111 1HG LYS 19 2HG LYS 19 -8.763 -9.802 1.591 112 2HG LYS 19 1HG LYS 19 -7.749 -11.244 1.509 113 1HD LYS 19 2HD LYS 19 -8.436 -11.778 3.844 114 2HD LYS 19 1HD LYS 19 -9.553 -10.414 3.781 115 1HE LYS 19 2HE LYS 19 -9.595 -12.821 1.962 116 2HE LYS 19 1HE LYS 19 -10.688 -12.532 3.314 117 1HZ LYS 19 1HZ LYS 19 -11.181 -10.346 2.035 118 2HZ LYS 19 2HZ LYS 19 -11.915 -11.788 1.543 119 3HZ LYS 19 3HZ LYS 19 -10.574 -11.192 0.700 120 HA PRO 20 HA PRO 20 -4.171 -9.640 3.270 121 1HB PRO 20 2HB PRO 20 -1.977 -11.116 3.610 122 2HB PRO 20 1HB PRO 20 -3.582 -11.857 3.647 123 1HG PRO 20 2HG PRO 20 -1.482 -12.038 1.579 124 2HG PRO 20 1HG PRO 20 -2.829 -13.139 1.911 125 1HD PRO 20 2HD PRO 20 -2.665 -11.002 -0.059 126 2HD PRO 20 1HD PRO 20 -3.939 -12.221 0.154 127 H TYR 21 H TYR 21 -3.426 -8.122 0.797 128 HA TYR 21 HA TYR 21 -0.620 -7.585 0.894 129 1HB TYR 21 2HB TYR 21 -2.774 -5.795 -0.274 130 2HB TYR 21 1HB TYR 21 -1.055 -5.775 -0.646 131 HD1 TYR 21 1HD TYR 21 -0.063 -7.935 -1.676 132 HD2 TYR 21 2HD TYR 21 -4.224 -7.057 -1.605 133 HE1 TYR 21 1HE TYR 21 -0.423 -9.525 -3.515 134 HE2 TYR 21 2HE TYR 21 -4.596 -8.646 -3.444 135 HH TYR 21 HH TYR 21 -2.047 -9.958 -5.300 136 H LEU 22 H LEU 22 0.341 -5.519 1.469 137 HA LEU 22 HA LEU 22 -1.076 -4.153 3.659 138 1HB LEU 22 2HB LEU 22 0.441 -5.808 4.610 139 2HB LEU 22 1HB LEU 22 1.768 -5.166 3.665 140 HG LEU 22 HG LEU 22 1.479 -2.997 4.937 141 1HD1 LEU 22 1HD1 LEU 22 -0.366 -4.754 6.531 142 2HD1 LEU 22 2HD1 LEU 22 -0.725 -3.200 5.777 143 3HD1 LEU 22 3HD1 LEU 22 0.357 -3.278 7.168 144 1HD2 LEU 22 1HD2 LEU 22 2.802 -5.383 5.610 145 2HD2 LEU 22 2HD2 LEU 22 2.137 -4.741 7.111 146 3HD2 LEU 22 3HD2 LEU 22 3.201 -3.742 6.121 147 H CYS 23 H CYS 23 -0.855 -1.969 3.683 148 HA CYS 23 HA CYS 23 0.388 -0.681 1.455 149 1HB CYS 23 2HB CYS 23 -1.679 0.192 2.560 150 2HB CYS 23 1HB CYS 23 -0.707 0.596 3.972 151 H SER 24 H SER 24 2.386 0.101 1.293 152 HA SER 24 HA SER 24 3.936 0.498 3.749 153 1HB SER 24 2HB SER 24 5.885 -0.562 2.349 154 2HB SER 24 1HB SER 24 4.721 -1.614 3.147 155 HG SER 24 HG SER 24 3.577 -1.637 1.113 156 H CYS 25 H CYS 25 4.967 2.368 3.777 157 HA CYS 25 HA CYS 25 5.080 3.951 1.317 158 1HB CYS 25 2HB CYS 25 5.584 4.914 4.137 159 2HB CYS 25 1HB CYS 25 5.214 5.886 2.716 160 H ILE 26 H ILE 26 6.946 2.554 0.654 161 HA ILE 26 HA ILE 26 9.410 2.944 2.111 162 HB ILE 26 HB ILE 26 10.487 1.676 0.252 163 1HG1 ILE 26 2HG1 ILE 26 8.628 2.325 -1.428 164 2HG1 ILE 26 1HG1 ILE 26 9.297 0.701 -1.509 165 1HG2 ILE 26 1HG2 ILE 26 9.877 0.499 2.207 166 2HG2 ILE 26 2HG2 ILE 26 9.376 -0.493 0.838 167 3HG2 ILE 26 3HG2 ILE 26 8.179 0.446 1.731 168 1HD1 ILE 26 1HD1 ILE 26 7.318 -0.230 -1.106 169 2HD1 ILE 26 2HD1 ILE 26 6.634 1.363 -1.427 170 3HD1 ILE 26 3HD1 ILE 26 6.976 0.867 0.231 171 H PHE 27 H PHE 27 11.317 3.255 0.232 172 HA PHE 27 HA PHE 27 11.060 6.073 -0.365 173 1HB PHE 27 2HB PHE 27 13.353 4.137 -0.653 174 2HB PHE 27 1HB PHE 27 13.463 5.839 -1.079 175 HD1 PHE 27 1HD PHE 27 14.443 7.205 0.462 176 HD2 PHE 27 2HD PHE 27 12.327 3.776 1.836 177 HE1 PHE 27 1HE PHE 27 15.064 7.754 2.778 178 HE2 PHE 27 2HE PHE 27 12.941 4.323 4.154 179 HZ PHE 27 HZ PHE 27 14.311 6.313 4.628 180 H PHE 28 H PHE 28 11.771 3.120 -2.197 181 HA PHE 28 HA PHE 28 11.923 4.353 -4.724 182 1HB PHE 28 2HB PHE 28 11.416 1.493 -3.912 183 2HB PHE 28 1HB PHE 28 11.560 1.995 -5.591 184 HD1 PHE 28 1HD PHE 28 13.464 2.630 -2.427 185 HD2 PHE 28 2HD PHE 28 13.575 1.494 -6.527 186 HE1 PHE 28 1HE PHE 28 15.909 2.397 -2.293 187 HE2 PHE 28 2HE PHE 28 16.019 1.257 -6.399 188 HZ PHE 28 HZ PHE 28 17.190 1.709 -4.280 189 H TYR 29 H TYR 29 9.258 3.325 -2.808 190 HA TYR 29 HA TYR 29 7.412 4.279 -4.869 191 1HB TYR 29 2HB TYR 29 7.040 1.664 -3.378 192 2HB TYR 29 1HB TYR 29 5.848 2.410 -4.431 193 HD1 TYR 29 1HD TYR 29 9.121 0.702 -4.340 194 HD2 TYR 29 2HD TYR 29 5.966 2.157 -6.795 195 HE1 TYR 29 1HE TYR 29 10.041 -0.544 -6.249 196 HE2 TYR 29 2HE TYR 29 6.879 0.916 -8.711 197 HH TYR 29 HH TYR 29 9.485 0.016 -9.252 198 HA PRO 30 HA PRO 30 5.821 6.377 -1.293 199 1HB PRO 30 2HB PRO 30 3.270 6.594 -2.739 200 2HB PRO 30 1HB PRO 30 4.364 7.871 -2.205 201 1HG PRO 30 2HG PRO 30 4.082 7.233 -4.804 202 2HG PRO 30 1HG PRO 30 5.631 7.773 -4.130 203 1HD PRO 30 2HD PRO 30 4.717 4.999 -4.797 204 2HD PRO 30 1HD PRO 30 6.304 5.757 -5.055 205 H CYS 31 H CYS 31 3.240 6.398 -0.384 206 HA CYS 31 HA CYS 31 3.011 3.924 0.942 207 1HB CYS 31 2HB CYS 31 0.991 6.149 0.601 208 2HB CYS 31 1HB CYS 31 0.802 4.789 1.704 209 H SER 32 H SER 32 2.774 2.169 -0.342 210 HA SER 32 HA SER 32 0.290 2.047 -1.898 211 1HB SER 32 2HB SER 32 1.715 0.596 -3.536 212 2HB SER 32 1HB SER 32 1.828 2.348 -3.641 213 HG SER 32 HG SER 32 3.711 2.193 -2.282 214 H CYS 33 H CYS 33 -0.757 0.095 -1.890 215 HA CYS 33 HA CYS 33 -0.041 -1.752 0.188 216 1HB CYS 33 2HB CYS 33 -2.097 -2.218 -1.975 217 2HB CYS 33 1HB CYS 33 -2.020 -2.955 -0.388 218 H ARG 34 H ARG 34 1.440 -3.255 -0.048 219 HA ARG 34 HA ARG 34 1.896 -4.397 -2.732 220 1HB ARG 34 2HB ARG 34 4.076 -4.293 -0.657 221 2HB ARG 34 1HB ARG 34 4.215 -4.416 -2.402 222 1HG ARG 34 2HG ARG 34 3.429 -1.950 -0.863 223 2HG ARG 34 1HG ARG 34 5.003 -2.267 -1.586 224 1HD ARG 34 2HD ARG 34 2.431 -2.110 -3.145 225 2HD ARG 34 1HD ARG 34 3.515 -0.745 -2.902 226 HE ARG 34 HE ARG 34 3.783 -2.777 -4.825 227 1HH1 ARG 34 1HH1 ARG 34 5.697 -0.816 -2.657 228 2HH1 ARG 34 2HH1 ARG 34 7.145 -0.953 -3.599 229 1HH2 ARG 34 1HH2 ARG 34 5.690 -2.962 -6.084 230 2HH2 ARG 34 2HH2 ARG 34 7.141 -2.178 -5.555 231 HA PRO 35 HA PRO 35 1.114 -8.427 -1.110 232 1HB PRO 35 2HB PRO 35 3.909 -9.213 -1.760 233 2HB PRO 35 1HB PRO 35 2.387 -9.981 -2.224 234 1HG PRO 35 2HG PRO 35 3.822 -8.532 -3.967 235 2HG PRO 35 1HG PRO 35 2.050 -8.552 -3.999 236 1HD PRO 35 2HD PRO 35 3.902 -6.426 -3.066 237 2HD PRO 35 1HD PRO 35 2.279 -6.288 -3.765 238 H LYS 36 H LYS 36 1.410 -9.574 0.827 239 HA LYS 36 HA LYS 36 2.980 -8.203 2.796 240 1HB LYS 36 2HB LYS 36 0.777 -9.184 3.342 241 2HB LYS 36 1HB LYS 36 1.426 -10.788 3.031 242 1HG LYS 36 2HG LYS 36 2.867 -10.666 4.910 243 2HG LYS 36 1HG LYS 36 2.542 -8.946 5.128 244 1HD LYS 36 2HD LYS 36 0.474 -11.126 5.395 245 2HD LYS 36 1HD LYS 36 1.343 -10.400 6.750 246 1HE LYS 36 2HE LYS 36 0.422 -8.213 6.178 247 2HE LYS 36 1HE LYS 36 -0.422 -8.919 4.801 248 1HZ LYS 36 1HZ LYS 36 -1.144 -8.909 7.577 249 2HZ LYS 36 2HZ LYS 36 -1.231 -10.450 6.886 250 3HZ LYS 36 3HZ LYS 36 -2.107 -9.170 6.210 251 H GLY 37 H GLY 37 5.059 -8.507 3.031 252 1HA GLY 37 2HA GLY 37 7.035 -9.705 3.422 253 2HA GLY 37 1HA GLY 37 6.202 -11.185 2.947 254 H TRP 38 H TRP 38 6.515 -8.091 1.298 255 HA TRP 38 HA TRP 38 7.024 -9.286 -1.222 256 1HB TRP 38 2HB TRP 38 7.070 -7.051 -2.076 257 2HB TRP 38 1HB TRP 38 5.846 -7.077 -0.814 258 HD1 TRP 38 HD TRP 38 9.371 -5.756 -1.526 259 HE1 TRP 38 1HE TRP 38 9.903 -3.855 0.115 260 HE3 TRP 38 3HE TRP 38 5.223 -6.057 1.453 261 HZ2 TRP 38 2HZ TRP 38 8.728 -2.639 2.367 262 HZ3 TRP 38 3HZ TRP 38 5.010 -4.490 3.330 263 HH2 TRP 38 HH TRP 38 6.726 -2.814 3.776 Start of MODEL 7 1 1H LYS 1 1HT LYS 1 -15.782 -2.817 -0.616 2 2H LYS 1 2HT LYS 1 -14.491 -3.263 0.383 3 3H LYS 1 3HT LYS 1 -15.166 -4.392 -0.680 4 HA LYS 1 HA LYS 1 -13.906 -3.736 -2.362 5 1HB LYS 1 2HB LYS 1 -15.477 -1.751 -2.478 6 2HB LYS 1 1HB LYS 1 -14.335 -0.869 -1.477 7 1HG LYS 1 2HG LYS 1 -12.865 -1.933 -3.632 8 2HG LYS 1 1HG LYS 1 -14.342 -1.242 -4.307 9 1HD LYS 1 2HD LYS 1 -12.445 0.187 -2.443 10 2HD LYS 1 1HD LYS 1 -12.495 0.391 -4.195 11 1HE LYS 1 2HE LYS 1 -14.658 1.358 -4.110 12 2HE LYS 1 1HE LYS 1 -14.882 0.880 -2.427 13 1HZ LYS 1 1HZ LYS 1 -14.368 3.207 -2.539 14 2HZ LYS 1 2HZ LYS 1 -12.969 2.911 -3.438 15 3HZ LYS 1 3HZ LYS 1 -13.061 2.393 -1.825 16 H CYS 2 H CYS 2 -11.670 -3.187 -2.703 17 HA CYS 2 HA CYS 2 -10.142 -1.987 -0.599 18 1HB CYS 2 2HB CYS 2 -8.740 -4.019 -0.181 19 2HB CYS 2 1HB CYS 2 -10.377 -4.133 0.448 20 H LEU 3 H LEU 3 -7.860 -1.934 -1.116 21 HA LEU 3 HA LEU 3 -7.461 -1.369 -3.899 22 1HB LEU 3 2HB LEU 3 -5.573 -1.278 -1.546 23 2HB LEU 3 1HB LEU 3 -5.252 -0.608 -3.128 24 HG LEU 3 HG LEU 3 -7.469 0.305 -1.304 25 1HD1 LEU 3 1HD1 LEU 3 -5.119 1.996 -1.950 26 2HD1 LEU 3 2HD1 LEU 3 -4.926 0.726 -0.741 27 3HD1 LEU 3 3HD1 LEU 3 -6.146 1.979 -0.516 28 1HD2 LEU 3 1HD2 LEU 3 -8.022 1.893 -2.867 29 2HD2 LEU 3 2HD2 LEU 3 -7.563 0.552 -3.917 30 3HD2 LEU 3 3HD2 LEU 3 -6.426 1.867 -3.619 31 H ALA 4 H ALA 4 -6.357 -2.579 -5.366 32 HA ALA 4 HA ALA 4 -5.766 -5.299 -4.680 33 1HB ALA 4 1HB ALA 4 -5.846 -5.717 -6.896 34 2HB ALA 4 2HB ALA 4 -4.927 -4.271 -7.315 35 3HB ALA 4 3HB ALA 4 -6.645 -4.145 -6.934 36 H GLU 5 H GLU 5 -3.633 -5.921 -6.286 37 HA GLU 5 HA GLU 5 -1.446 -5.321 -4.592 38 1HB GLU 5 2HB GLU 5 -1.699 -7.483 -5.726 39 2HB GLU 5 1HB GLU 5 -1.506 -6.691 -7.284 40 1HG GLU 5 2HG GLU 5 0.763 -6.081 -6.735 41 2HG GLU 5 1HG GLU 5 0.579 -6.755 -5.114 42 H ALA 6 H ALA 6 0.126 -3.918 -4.794 43 HA ALA 6 HA ALA 6 1.345 -2.127 -5.453 44 1HB ALA 6 1HB ALA 6 0.908 -2.246 -8.310 45 2HB ALA 6 2HB ALA 6 1.292 -3.835 -7.649 46 3HB ALA 6 3HB ALA 6 2.393 -2.482 -7.387 47 H ALA 7 H ALA 7 -1.243 -1.631 -4.680 48 HA ALA 7 HA ALA 7 -2.138 0.446 -6.582 49 1HB ALA 7 1HB ALA 7 -4.180 -0.362 -6.284 50 2HB ALA 7 2HB ALA 7 -4.090 0.072 -4.577 51 3HB ALA 7 3HB ALA 7 -3.572 -1.528 -5.109 52 H ASP 8 H ASP 8 -2.235 2.557 -5.972 53 HA ASP 8 HA ASP 8 -0.703 3.461 -3.815 54 1HB ASP 8 2HB ASP 8 -1.660 5.691 -4.308 55 2HB ASP 8 1HB ASP 8 -1.100 4.861 -5.756 56 H CYS 9 H CYS 9 -1.242 4.398 -1.825 57 HA CYS 9 HA CYS 9 -3.996 4.164 -0.913 58 1HB CYS 9 2HB CYS 9 -3.056 3.046 1.237 59 2HB CYS 9 1HB CYS 9 -3.384 2.058 -0.177 60 H SER 10 H SER 10 -4.386 5.151 1.134 61 HA SER 10 HA SER 10 -2.406 6.878 2.316 62 1HB SER 10 2HB SER 10 -4.744 8.044 0.776 63 2HB SER 10 1HB SER 10 -3.776 8.952 1.937 64 HG SER 10 HG SER 10 -2.380 7.595 -0.046 65 HA PRO 11 HA PRO 11 -4.680 6.015 5.958 66 1HB PRO 11 2HB PRO 11 -4.544 8.568 7.108 67 2HB PRO 11 1HB PRO 11 -3.355 7.275 7.290 68 1HG PRO 11 2HG PRO 11 -3.344 9.616 5.439 69 2HG PRO 11 1HG PRO 11 -1.993 8.848 6.285 70 1HD PRO 11 2HD PRO 11 -2.379 8.437 3.690 71 2HD PRO 11 1HD PRO 11 -1.845 7.115 4.752 72 H TRP 12 H TRP 12 -5.525 9.128 4.430 73 HA TRP 12 HA TRP 12 -8.308 8.650 5.254 74 1HB TRP 12 2HB TRP 12 -6.999 11.275 4.506 75 2HB TRP 12 1HB TRP 12 -8.675 11.068 5.001 76 HD1 TRP 12 HD TRP 12 -9.083 10.362 7.613 77 HE1 TRP 12 1HE TRP 12 -7.682 10.887 9.706 78 HE3 TRP 12 3HE TRP 12 -4.682 11.644 5.346 79 HZ2 TRP 12 2HZ TRP 12 -5.062 11.740 10.317 80 HZ3 TRP 12 3HZ TRP 12 -2.779 12.308 6.758 81 HH2 TRP 12 HH TRP 12 -2.967 12.356 9.192 82 H SER 13 H SER 13 -6.366 9.984 2.598 83 HA SER 13 HA SER 13 -8.583 9.731 0.756 84 1HB SER 13 2HB SER 13 -7.039 11.680 0.667 85 2HB SER 13 1HB SER 13 -5.725 10.589 0.230 86 HG SER 13 HG SER 13 -6.845 10.073 -1.665 87 H GLY 14 H GLY 14 -8.177 7.256 1.627 88 1HA GLY 14 2HA GLY 14 -7.444 5.841 -0.743 89 2HA GLY 14 1HA GLY 14 -6.233 5.650 0.519 90 H ASP 15 H ASP 15 -8.130 3.737 -0.736 91 HA ASP 15 HA ASP 15 -9.986 3.031 1.365 92 1HB ASP 15 2HB ASP 15 -10.120 2.645 -1.272 93 2HB ASP 15 1HB ASP 15 -9.305 1.145 -0.853 94 H SER 16 H SER 16 -9.905 0.424 1.753 95 HA SER 16 HA SER 16 -7.383 0.032 3.143 96 1HB SER 16 2HB SER 16 -9.678 -1.910 3.032 97 2HB SER 16 1HB SER 16 -8.436 -1.771 4.271 98 HG SER 16 HG SER 16 -10.083 0.436 3.779 99 H CYS 17 H CYS 17 -5.896 -1.556 2.653 100 HA CYS 17 HA CYS 17 -5.795 -2.398 -0.078 101 1HB CYS 17 2HB CYS 17 -4.064 -3.325 2.230 102 2HB CYS 17 1HB CYS 17 -3.695 -3.468 0.517 103 H CYS 18 H CYS 18 -6.107 -4.439 -0.939 104 HA CYS 18 HA CYS 18 -7.868 -6.210 0.425 105 1HB CYS 18 2HB CYS 18 -6.199 -6.673 -2.066 106 2HB CYS 18 1HB CYS 18 -7.469 -7.745 -1.492 107 H LYS 19 H LYS 19 -7.428 -8.110 1.458 108 HA LYS 19 HA LYS 19 -4.762 -8.362 2.472 109 1HB LYS 19 2HB LYS 19 -6.987 -10.337 2.919 110 2HB LYS 19 1HB LYS 19 -5.601 -10.017 3.931 111 1HG LYS 19 2HG LYS 19 -7.210 -8.960 5.137 112 2HG LYS 19 1HG LYS 19 -6.669 -7.629 4.115 113 1HD LYS 19 2HD LYS 19 -9.086 -7.679 4.166 114 2HD LYS 19 1HD LYS 19 -8.526 -8.126 2.553 115 1HE LYS 19 2HE LYS 19 -8.856 -10.486 3.086 116 2HE LYS 19 1HE LYS 19 -9.387 -10.053 4.711 117 1HZ LYS 19 1HZ LYS 19 -10.772 -9.632 2.142 118 2HZ LYS 19 2HZ LYS 19 -11.142 -8.666 3.480 119 3HZ LYS 19 3HZ LYS 19 -11.354 -10.342 3.564 120 HA PRO 20 HA PRO 20 -3.666 -9.724 3.356 121 1HB PRO 20 2HB PRO 20 -1.426 -11.184 3.393 122 2HB PRO 20 1HB PRO 20 -3.012 -11.925 3.633 123 1HG PRO 20 2HG PRO 20 -1.209 -12.055 1.293 124 2HG PRO 20 1HG PRO 20 -2.459 -13.195 1.814 125 1HD PRO 20 2HD PRO 20 -2.647 -11.127 -0.186 126 2HD PRO 20 1HD PRO 20 -3.887 -12.299 0.302 127 H TYR 21 H TYR 21 -3.242 -8.083 0.916 128 HA TYR 21 HA TYR 21 -0.405 -7.496 0.876 129 1HB TYR 21 2HB TYR 21 -2.658 -5.948 -0.440 130 2HB TYR 21 1HB TYR 21 -0.937 -5.792 -0.766 131 HD1 TYR 21 1HD TYR 21 0.127 -7.161 -2.337 132 HD2 TYR 21 2HD TYR 21 -3.800 -8.152 -1.041 133 HE1 TYR 21 1HE TYR 21 -0.019 -8.864 -4.099 134 HE2 TYR 21 2HE TYR 21 -3.955 -9.863 -2.802 135 HH TYR 21 HH TYR 21 -1.349 -10.293 -5.173 136 H LEU 22 H LEU 22 0.561 -5.600 1.549 137 HA LEU 22 HA LEU 22 -0.961 -4.098 3.579 138 1HB LEU 22 2HB LEU 22 0.714 -5.555 4.569 139 2HB LEU 22 1HB LEU 22 1.952 -4.886 3.525 140 HG LEU 22 HG LEU 22 1.592 -2.670 4.661 141 1HD1 LEU 22 1HD1 LEU 22 -0.630 -3.020 5.532 142 2HD1 LEU 22 2HD1 LEU 22 0.488 -2.723 6.863 143 3HD1 LEU 22 3HD1 LEU 22 -0.063 -4.364 6.523 144 1HD2 LEU 22 1HD2 LEU 22 3.489 -3.513 5.522 145 2HD2 LEU 22 2HD2 LEU 22 2.774 -5.099 5.812 146 3HD2 LEU 22 3HD2 LEU 22 2.502 -3.785 6.957 147 H CYS 23 H CYS 23 -0.781 -1.890 3.614 148 HA CYS 23 HA CYS 23 0.101 -0.585 1.227 149 1HB CYS 23 2HB CYS 23 -1.835 0.255 2.451 150 2HB CYS 23 1HB CYS 23 -0.845 0.535 3.874 151 H SER 24 H SER 24 2.213 -0.545 0.883 152 HA SER 24 HA SER 24 4.037 0.038 3.092 153 1HB SER 24 2HB SER 24 5.810 -0.678 1.507 154 2HB SER 24 1HB SER 24 4.579 -1.918 1.739 155 HG SER 24 HG SER 24 3.805 -0.377 -0.275 156 H CYS 25 H CYS 25 5.316 1.845 3.144 157 HA CYS 25 HA CYS 25 5.210 3.679 0.870 158 1HB CYS 25 2HB CYS 25 3.446 4.173 2.743 159 2HB CYS 25 1HB CYS 25 4.836 4.782 3.637 160 H ILE 26 H ILE 26 7.349 2.423 0.977 161 HA ILE 26 HA ILE 26 9.257 3.439 2.898 162 HB ILE 26 HB ILE 26 10.913 2.035 1.644 163 1HG1 ILE 26 2HG1 ILE 26 9.421 2.070 -0.491 164 2HG1 ILE 26 1HG1 ILE 26 10.322 0.613 -0.099 165 1HG2 ILE 26 1HG2 ILE 26 9.018 1.339 3.507 166 2HG2 ILE 26 2HG2 ILE 26 10.443 0.398 3.068 167 3HG2 ILE 26 3HG2 ILE 26 8.892 0.058 2.301 168 1HD1 ILE 26 1HD1 ILE 26 7.412 1.059 0.530 169 2HD1 ILE 26 2HD1 ILE 26 8.329 -0.426 0.779 170 3HD1 ILE 26 3HD1 ILE 26 8.028 0.161 -0.856 171 H PHE 27 H PHE 27 11.544 3.635 1.422 172 HA PHE 27 HA PHE 27 11.391 6.300 0.503 173 1HB PHE 27 2HB PHE 27 13.573 4.232 0.432 174 2HB PHE 27 1HB PHE 27 13.795 5.850 -0.216 175 HD1 PHE 27 1HD PHE 27 12.307 4.432 2.916 176 HD2 PHE 27 2HD PHE 27 15.031 7.189 1.159 177 HE1 PHE 27 1HE PHE 27 12.922 5.243 5.154 178 HE2 PHE 27 2HE PHE 27 15.651 8.006 3.394 179 HZ PHE 27 HZ PHE 27 14.597 7.032 5.396 180 H PHE 28 H PHE 28 12.343 3.367 -1.297 181 HA PHE 28 HA PHE 28 12.302 4.700 -3.800 182 1HB PHE 28 2HB PHE 28 13.672 2.659 -3.217 183 2HB PHE 28 1HB PHE 28 12.194 1.714 -3.368 184 HD1 PHE 28 1HD PHE 28 13.380 4.550 -5.459 185 HD2 PHE 28 2HD PHE 28 12.559 0.381 -5.235 186 HE1 PHE 28 1HE PHE 28 13.767 4.348 -7.880 187 HE2 PHE 28 2HE PHE 28 12.943 0.172 -7.655 188 HZ PHE 28 HZ PHE 28 13.548 2.156 -8.982 189 H TYR 29 H TYR 29 9.954 2.737 -2.079 190 HA TYR 29 HA TYR 29 8.090 3.129 -4.324 191 1HB TYR 29 2HB TYR 29 8.132 1.037 -2.157 192 2HB TYR 29 1HB TYR 29 6.707 1.349 -3.137 193 HD1 TYR 29 1HD TYR 29 6.366 -0.018 -4.931 194 HD2 TYR 29 2HD TYR 29 10.362 0.676 -3.651 195 HE1 TYR 29 1HE TYR 29 7.177 -1.589 -6.635 196 HE2 TYR 29 2HE TYR 29 11.185 -0.891 -5.359 197 HH TYR 29 HH TYR 29 10.508 -2.608 -6.762 198 HA PRO 30 HA PRO 30 6.055 6.027 -1.623 199 1HB PRO 30 2HB PRO 30 4.012 6.620 -3.309 200 2HB PRO 30 1HB PRO 30 5.640 7.275 -3.511 201 1HG PRO 30 2HG PRO 30 4.316 5.008 -4.936 202 2HG PRO 30 1HG PRO 30 5.391 6.264 -5.577 203 1HD PRO 30 2HD PRO 30 6.206 3.720 -4.995 204 2HD PRO 30 1HD PRO 30 7.283 5.124 -4.955 205 H CYS 31 H CYS 31 3.740 6.307 -0.839 206 HA CYS 31 HA CYS 31 2.835 4.051 0.444 207 1HB CYS 31 2HB CYS 31 1.348 6.562 -0.331 208 2HB CYS 31 1HB CYS 31 0.644 5.321 0.692 209 H SER 32 H SER 32 2.379 2.221 -0.619 210 HA SER 32 HA SER 32 -0.012 2.083 -2.193 211 1HB SER 32 2HB SER 32 1.204 0.931 -4.122 212 2HB SER 32 1HB SER 32 1.385 2.682 -4.018 213 HG SER 32 HG SER 32 3.390 2.177 -2.799 214 H CYS 33 H CYS 33 -0.943 0.115 -2.039 215 HA CYS 33 HA CYS 33 0.026 -1.741 -0.143 216 1HB CYS 33 2HB CYS 33 -2.080 -2.386 -2.199 217 2HB CYS 33 1HB CYS 33 -1.942 -2.973 -0.552 218 H ARG 34 H ARG 34 1.319 -3.377 -0.373 219 HA ARG 34 HA ARG 34 1.793 -4.597 -3.011 220 1HB ARG 34 2HB ARG 34 3.992 -4.056 -0.991 221 2HB ARG 34 1HB ARG 34 4.169 -4.656 -2.632 222 1HG ARG 34 2HG ARG 34 3.072 -1.929 -2.053 223 2HG ARG 34 1HG ARG 34 4.802 -2.240 -2.185 224 1HD ARG 34 2HD ARG 34 4.556 -2.985 -4.448 225 2HD ARG 34 1HD ARG 34 2.796 -2.919 -4.327 226 HE ARG 34 HE ARG 34 3.572 -0.381 -3.750 227 1HH1 ARG 34 1HH1 ARG 34 4.273 -2.534 -6.423 228 2HH1 ARG 34 2HH1 ARG 34 4.367 -1.256 -7.588 229 1HH2 ARG 34 1HH2 ARG 34 3.687 1.293 -5.259 230 2HH2 ARG 34 2HH2 ARG 34 4.034 0.937 -6.924 231 HA PRO 35 HA PRO 35 1.281 -8.505 -0.997 232 1HB PRO 35 2HB PRO 35 4.090 -9.232 -1.631 233 2HB PRO 35 1HB PRO 35 2.593 -10.093 -1.999 234 1HG PRO 35 2HG PRO 35 3.969 -8.737 -3.876 235 2HG PRO 35 1HG PRO 35 2.203 -8.876 -3.904 236 1HD PRO 35 2HD PRO 35 3.902 -6.548 -3.222 237 2HD PRO 35 1HD PRO 35 2.256 -6.597 -3.876 238 H LYS 36 H LYS 36 1.663 -9.447 1.020 239 HA LYS 36 HA LYS 36 3.205 -7.854 2.840 240 1HB LYS 36 2HB LYS 36 1.055 -8.891 3.493 241 2HB LYS 36 1HB LYS 36 1.778 -10.482 3.300 242 1HG LYS 36 2HG LYS 36 3.453 -9.807 5.059 243 2HG LYS 36 1HG LYS 36 2.444 -8.390 5.351 244 1HD LYS 36 2HD LYS 36 1.883 -10.128 6.937 245 2HD LYS 36 1HD LYS 36 0.536 -9.888 5.822 246 1HE LYS 36 2HE LYS 36 1.236 -11.834 4.535 247 2HE LYS 36 1HE LYS 36 2.621 -12.058 5.602 248 1HZ LYS 36 1HZ LYS 36 0.062 -11.950 6.941 249 2HZ LYS 36 2HZ LYS 36 1.360 -13.010 7.168 250 3HZ LYS 36 3HZ LYS 36 0.259 -13.278 5.911 251 H GLY 37 H GLY 37 5.325 -8.054 2.976 252 1HA GLY 37 2HA GLY 37 7.327 -9.166 3.505 253 2HA GLY 37 1HA GLY 37 6.535 -10.703 3.165 254 H TRP 38 H TRP 38 6.821 -7.758 1.253 255 HA TRP 38 HA TRP 38 7.425 -9.204 -1.133 256 1HB TRP 38 2HB TRP 38 7.365 -7.062 -2.222 257 2HB TRP 38 1HB TRP 38 6.070 -7.081 -1.029 258 HD1 TRP 38 HD TRP 38 9.320 -5.334 -1.892 259 HE1 TRP 38 1HE TRP 38 9.652 -3.317 -0.338 260 HE3 TRP 38 3HE TRP 38 5.501 -6.196 1.397 261 HZ2 TRP 38 2HZ TRP 38 8.459 -2.229 1.973 262 HZ3 TRP 38 3HZ TRP 38 5.168 -4.620 3.253 263 HH2 TRP 38 HH TRP 38 6.617 -2.676 3.535 Start of MODEL 8 1 1H LYS 1 1HT LYS 1 -14.448 -1.735 0.005 2 2H LYS 1 2HT LYS 1 -15.491 -1.331 -1.265 3 3H LYS 1 3HT LYS 1 -14.158 -0.338 -0.910 4 HA LYS 1 HA LYS 1 -14.105 -3.067 -2.072 5 1HB LYS 1 2HB LYS 1 -12.727 -0.584 -3.062 6 2HB LYS 1 1HB LYS 1 -13.197 -2.010 -3.971 7 1HG LYS 1 2HG LYS 1 -15.513 -1.350 -3.901 8 2HG LYS 1 1HG LYS 1 -15.126 0.013 -2.848 9 1HD LYS 1 2HD LYS 1 -14.131 -0.366 -5.675 10 2HD LYS 1 1HD LYS 1 -15.438 0.712 -5.187 11 1HE LYS 1 2HE LYS 1 -12.592 0.913 -4.197 12 2HE LYS 1 1HE LYS 1 -13.250 1.856 -5.532 13 1HZ LYS 1 1HZ LYS 1 -14.893 2.069 -3.222 14 2HZ LYS 1 2HZ LYS 1 -14.135 3.290 -4.107 15 3HZ LYS 1 3HZ LYS 1 -13.299 2.512 -2.852 16 H CYS 2 H CYS 2 -11.515 -2.816 -2.999 17 HA CYS 2 HA CYS 2 -9.848 -2.124 -0.772 18 1HB CYS 2 2HB CYS 2 -8.758 -4.289 -0.546 19 2HB CYS 2 1HB CYS 2 -10.459 -4.393 -0.148 20 H LEU 3 H LEU 3 -7.703 -1.955 -1.265 21 HA LEU 3 HA LEU 3 -7.205 -1.276 -4.014 22 1HB LEU 3 2HB LEU 3 -5.410 -1.210 -1.591 23 2HB LEU 3 1HB LEU 3 -5.043 -0.497 -3.145 24 HG LEU 3 HG LEU 3 -7.373 0.326 -1.422 25 1HD1 LEU 3 1HD1 LEU 3 -5.492 0.997 -0.215 26 2HD1 LEU 3 2HD1 LEU 3 -5.947 2.420 -1.154 27 3HD1 LEU 3 3HD1 LEU 3 -4.593 1.415 -1.674 28 1HD2 LEU 3 1HD2 LEU 3 -6.153 1.729 -3.791 29 2HD2 LEU 3 2HD2 LEU 3 -7.631 2.153 -2.928 30 3HD2 LEU 3 3HD2 LEU 3 -7.566 0.679 -3.895 31 H ALA 4 H ALA 4 -6.008 -2.384 -5.478 32 HA ALA 4 HA ALA 4 -5.444 -5.134 -4.913 33 1HB ALA 4 1HB ALA 4 -6.068 -3.677 -7.179 34 2HB ALA 4 2HB ALA 4 -5.648 -5.389 -7.110 35 3HB ALA 4 3HB ALA 4 -4.400 -4.186 -7.441 36 H GLU 5 H GLU 5 -3.264 -5.743 -6.389 37 HA GLU 5 HA GLU 5 -1.148 -5.224 -4.590 38 1HB GLU 5 2HB GLU 5 -1.443 -7.351 -5.836 39 2HB GLU 5 1HB GLU 5 -1.042 -6.504 -7.324 40 1HG GLU 5 2HG GLU 5 1.179 -6.059 -6.540 41 2HG GLU 5 1HG GLU 5 0.794 -6.722 -4.952 42 H ALA 6 H ALA 6 0.478 -3.877 -4.689 43 HA ALA 6 HA ALA 6 1.780 -2.110 -5.238 44 1HB ALA 6 1HB ALA 6 1.217 -2.581 -8.145 45 2HB ALA 6 2HB ALA 6 2.212 -3.709 -7.223 46 3HB ALA 6 3HB ALA 6 2.701 -2.020 -7.374 47 H ALA 7 H ALA 7 -0.813 -1.529 -4.547 48 HA ALA 7 HA ALA 7 -1.456 0.702 -6.380 49 1HB ALA 7 1HB ALA 7 -3.660 0.085 -4.666 50 2HB ALA 7 2HB ALA 7 -3.112 -1.381 -5.479 51 3HB ALA 7 3HB ALA 7 -3.568 0.034 -6.427 52 H ASP 8 H ASP 8 -1.302 2.698 -5.608 53 HA ASP 8 HA ASP 8 -0.278 3.322 -3.086 54 1HB ASP 8 2HB ASP 8 -0.416 4.724 -5.289 55 2HB ASP 8 1HB ASP 8 -1.962 5.265 -4.649 56 H CYS 9 H CYS 9 -1.214 3.676 -1.111 57 HA CYS 9 HA CYS 9 -4.077 3.160 -0.980 58 1HB CYS 9 2HB CYS 9 -3.788 2.767 1.402 59 2HB CYS 9 1HB CYS 9 -2.692 1.784 0.458 60 H SER 10 H SER 10 -5.256 4.250 0.838 61 HA SER 10 HA SER 10 -5.233 7.064 0.273 62 1HB SER 10 2HB SER 10 -7.203 7.051 1.861 63 2HB SER 10 1HB SER 10 -7.363 5.985 0.462 64 HG SER 10 HG SER 10 -6.314 5.043 2.908 65 HA PRO 11 HA PRO 11 -2.468 8.007 3.654 66 1HB PRO 11 2HB PRO 11 -2.638 10.719 3.390 67 2HB PRO 11 1HB PRO 11 -1.629 9.699 2.359 68 1HG PRO 11 2HG PRO 11 -4.350 10.827 1.826 69 2HG PRO 11 1HG PRO 11 -2.950 10.727 0.745 70 1HD PRO 11 2HD PRO 11 -4.998 8.989 0.590 71 2HD PRO 11 1HD PRO 11 -3.324 8.501 0.257 72 H TRP 12 H TRP 12 -5.486 9.882 3.272 73 HA TRP 12 HA TRP 12 -5.605 10.273 6.151 74 1HB TRP 12 2HB TRP 12 -7.486 11.261 3.999 75 2HB TRP 12 1HB TRP 12 -7.508 11.741 5.692 76 HD1 TRP 12 HD TRP 12 -5.283 13.167 6.541 77 HE1 TRP 12 1HE TRP 12 -3.869 14.879 5.241 78 HE3 TRP 12 3HE TRP 12 -6.642 11.895 1.777 79 HZ2 TRP 12 2HZ TRP 12 -3.398 15.602 2.553 80 HZ3 TRP 12 3HZ TRP 12 -5.669 13.152 -0.101 81 HH2 TRP 12 HH TRP 12 -4.081 14.967 0.281 82 H SER 13 H SER 13 -7.754 8.988 3.612 83 HA SER 13 HA SER 13 -8.541 6.744 5.129 84 1HB SER 13 2HB SER 13 -9.733 8.584 6.393 85 2HB SER 13 1HB SER 13 -10.670 8.890 4.932 86 HG SER 13 HG SER 13 -10.839 6.818 6.750 87 H GLY 14 H GLY 14 -9.859 5.341 3.946 88 1HA GLY 14 2HA GLY 14 -11.392 5.815 1.728 89 2HA GLY 14 1HA GLY 14 -9.750 5.689 1.110 90 H ASP 15 H ASP 15 -10.301 3.771 -0.031 91 HA ASP 15 HA ASP 15 -11.292 1.481 1.371 92 1HB ASP 15 2HB ASP 15 -10.035 1.722 -1.363 93 2HB ASP 15 1HB ASP 15 -10.701 0.232 -0.721 94 H SER 16 H SER 16 -10.212 -0.211 2.179 95 HA SER 16 HA SER 16 -7.412 0.158 2.765 96 1HB SER 16 2HB SER 16 -9.253 -2.115 3.550 97 2HB SER 16 1HB SER 16 -7.691 -1.725 4.271 98 HG SER 16 HG SER 16 -9.327 0.426 4.287 99 H CYS 17 H CYS 17 -5.815 -1.516 2.370 100 HA CYS 17 HA CYS 17 -5.795 -2.425 -0.295 101 1HB CYS 17 2HB CYS 17 -4.095 -3.485 1.971 102 2HB CYS 17 1HB CYS 17 -3.708 -3.498 0.256 103 H CYS 18 H CYS 18 -6.089 -4.482 -1.182 104 HA CYS 18 HA CYS 18 -7.967 -6.198 0.063 105 1HB CYS 18 2HB CYS 18 -6.087 -6.826 -2.232 106 2HB CYS 18 1HB CYS 18 -7.505 -7.758 -1.778 107 H LYS 19 H LYS 19 -7.657 -8.189 1.050 108 HA LYS 19 HA LYS 19 -5.163 -8.419 2.441 109 1HB LYS 19 2HB LYS 19 -7.279 -10.530 2.512 110 2HB LYS 19 1HB LYS 19 -6.207 -9.990 3.786 111 1HG LYS 19 2HG LYS 19 -7.447 -7.920 4.005 112 2HG LYS 19 1HG LYS 19 -8.512 -8.404 2.686 113 1HD LYS 19 2HD LYS 19 -8.196 -9.855 5.313 114 2HD LYS 19 1HD LYS 19 -9.535 -8.790 4.883 115 1HE LYS 19 2HE LYS 19 -10.139 -10.285 3.046 116 2HE LYS 19 1HE LYS 19 -8.793 -11.346 3.462 117 1HZ LYS 19 1HZ LYS 19 -11.032 -10.707 5.304 118 2HZ LYS 19 2HZ LYS 19 -9.816 -11.858 5.540 119 3HZ LYS 19 3HZ LYS 19 -10.973 -12.090 4.329 120 HA PRO 20 HA PRO 20 -4.103 -9.640 3.395 121 1HB PRO 20 2HB PRO 20 -1.838 -11.011 3.748 122 2HB PRO 20 1HB PRO 20 -3.410 -11.818 3.784 123 1HG PRO 20 2HG PRO 20 -1.307 -11.889 1.706 124 2HG PRO 20 1HG PRO 20 -2.567 -13.078 2.070 125 1HD PRO 20 2HD PRO 20 -2.574 -11.020 0.042 126 2HD PRO 20 1HD PRO 20 -3.811 -12.254 0.363 127 H TYR 21 H TYR 21 -3.284 -8.275 0.758 128 HA TYR 21 HA TYR 21 -0.569 -7.528 0.948 129 1HB TYR 21 2HB TYR 21 -2.808 -5.959 -0.364 130 2HB TYR 21 1HB TYR 21 -1.083 -5.752 -0.634 131 HD1 TYR 21 1HD TYR 21 0.037 -6.994 -2.251 132 HD2 TYR 21 2HD TYR 21 -3.847 -8.219 -1.030 133 HE1 TYR 21 1HE TYR 21 -0.007 -8.643 -4.069 134 HE2 TYR 21 2HE TYR 21 -3.901 -9.876 -2.848 135 HH TYR 21 HH TYR 21 -1.192 -10.169 -5.139 136 H LEU 22 H LEU 22 0.363 -5.548 1.535 137 HA LEU 22 HA LEU 22 -1.143 -3.987 3.527 138 1HB LEU 22 2HB LEU 22 0.299 -5.605 4.671 139 2HB LEU 22 1HB LEU 22 1.683 -5.029 3.765 140 HG LEU 22 HG LEU 22 1.345 -2.784 4.872 141 1HD1 LEU 22 1HD1 LEU 22 0.079 -2.913 7.049 142 2HD1 LEU 22 2HD1 LEU 22 -0.636 -4.407 6.445 143 3HD1 LEU 22 3HD1 LEU 22 -0.905 -2.891 5.585 144 1HD2 LEU 22 1HD2 LEU 22 2.001 -5.227 6.505 145 2HD2 LEU 22 2HD2 LEU 22 2.274 -3.579 7.069 146 3HD2 LEU 22 3HD2 LEU 22 3.115 -4.170 5.636 147 H CYS 23 H CYS 23 -0.724 -1.780 3.509 148 HA CYS 23 HA CYS 23 0.567 -0.760 1.163 149 1HB CYS 23 2HB CYS 23 -1.471 0.292 2.238 150 2HB CYS 23 1HB CYS 23 -0.399 0.874 3.511 151 H SER 24 H SER 24 2.638 -0.377 0.941 152 HA SER 24 HA SER 24 4.262 -0.009 3.365 153 1HB SER 24 2HB SER 24 6.143 -0.861 2.000 154 2HB SER 24 1HB SER 24 4.816 -2.015 2.069 155 HG SER 24 HG SER 24 4.711 -0.209 -0.019 156 H CYS 25 H CYS 25 5.207 1.906 3.662 157 HA CYS 25 HA CYS 25 5.166 3.843 1.461 158 1HB CYS 25 2HB CYS 25 5.585 4.331 4.419 159 2HB CYS 25 1HB CYS 25 5.382 5.562 3.177 160 H ILE 26 H ILE 26 7.076 2.524 0.640 161 HA ILE 26 HA ILE 26 9.548 2.898 2.075 162 HB ILE 26 HB ILE 26 10.648 1.849 0.110 163 1HG1 ILE 26 2HG1 ILE 26 8.793 2.590 -1.518 164 2HG1 ILE 26 1HG1 ILE 26 9.483 0.987 -1.733 165 1HG2 ILE 26 1HG2 ILE 26 10.223 0.348 1.792 166 2HG2 ILE 26 2HG2 ILE 26 9.385 -0.401 0.432 167 3HG2 ILE 26 3HG2 ILE 26 8.473 0.504 1.640 168 1HD1 ILE 26 1HD1 ILE 26 7.550 -0.005 -0.646 169 2HD1 ILE 26 2HD1 ILE 26 7.063 0.988 -2.020 170 3HD1 ILE 26 3HD1 ILE 26 6.865 1.598 -0.376 171 H PHE 27 H PHE 27 11.419 3.489 0.263 172 HA PHE 27 HA PHE 27 11.002 6.326 -0.098 173 1HB PHE 27 2HB PHE 27 13.416 4.570 -0.526 174 2HB PHE 27 1HB PHE 27 13.420 6.314 -0.753 175 HD1 PHE 27 1HD PHE 27 14.245 7.575 0.961 176 HD2 PHE 27 2HD PHE 27 12.421 3.840 1.877 177 HE1 PHE 27 1HE PHE 27 14.799 7.890 3.337 178 HE2 PHE 27 2HE PHE 27 12.968 4.151 4.254 179 HZ PHE 27 HZ PHE 27 14.159 6.178 4.987 180 H PHE 28 H PHE 28 11.929 3.594 -2.163 181 HA PHE 28 HA PHE 28 12.049 5.063 -4.562 182 1HB PHE 28 2HB PHE 28 11.737 2.112 -4.022 183 2HB PHE 28 1HB PHE 28 11.865 2.771 -5.648 184 HD1 PHE 28 1HD PHE 28 13.675 3.232 -2.400 185 HD2 PHE 28 2HD PHE 28 13.925 2.533 -6.591 186 HE1 PHE 28 1HE PHE 28 16.128 3.171 -2.239 187 HE2 PHE 28 2HE PHE 28 16.379 2.470 -6.436 188 HZ PHE 28 HZ PHE 28 17.484 2.790 -4.258 189 H TYR 29 H TYR 29 9.415 3.684 -2.827 190 HA TYR 29 HA TYR 29 7.579 4.669 -4.886 191 1HB TYR 29 2HB TYR 29 7.401 1.934 -3.595 192 2HB TYR 29 1HB TYR 29 6.113 2.669 -4.539 193 HD1 TYR 29 1HD TYR 29 9.528 1.265 -4.711 194 HD2 TYR 29 2HD TYR 29 6.156 2.633 -6.914 195 HE1 TYR 29 1HE TYR 29 10.484 0.299 -6.760 196 HE2 TYR 29 2HE TYR 29 7.101 1.672 -8.968 197 HH TYR 29 HH TYR 29 10.129 0.913 -9.424 198 HA PRO 30 HA PRO 30 5.709 6.510 -1.319 199 1HB PRO 30 2HB PRO 30 3.219 6.965 -2.354 200 2HB PRO 30 1HB PRO 30 4.626 7.973 -2.712 201 1HG PRO 30 2HG PRO 30 3.412 5.768 -4.330 202 2HG PRO 30 1HG PRO 30 4.034 7.341 -4.866 203 1HD PRO 30 2HD PRO 30 5.457 5.069 -5.142 204 2HD PRO 30 1HD PRO 30 6.232 6.632 -4.811 205 H CYS 31 H CYS 31 3.330 6.319 -0.267 206 HA CYS 31 HA CYS 31 3.167 3.756 0.839 207 1HB CYS 31 2HB CYS 31 1.102 5.964 0.756 208 2HB CYS 31 1HB CYS 31 0.985 4.527 1.766 209 H SER 32 H SER 32 2.876 2.080 -0.531 210 HA SER 32 HA SER 32 0.303 1.985 -1.916 211 1HB SER 32 2HB SER 32 1.617 0.791 -3.817 212 2HB SER 32 1HB SER 32 1.663 2.551 -3.731 213 HG SER 32 HG SER 32 3.670 2.330 -2.574 214 H CYS 33 H CYS 33 -0.687 0.041 -1.886 215 HA CYS 33 HA CYS 33 0.134 -1.900 -0.012 216 1HB CYS 33 2HB CYS 33 -1.865 -2.463 -2.186 217 2HB CYS 33 1HB CYS 33 -1.837 -3.051 -0.534 218 H ARG 34 H ARG 34 1.395 -3.542 -0.198 219 HA ARG 34 HA ARG 34 2.077 -4.638 -2.848 220 1HB ARG 34 2HB ARG 34 4.023 -4.261 -0.549 221 2HB ARG 34 1HB ARG 34 4.394 -4.854 -2.160 222 1HG ARG 34 2HG ARG 34 3.354 -2.087 -1.641 223 2HG ARG 34 1HG ARG 34 5.071 -2.486 -1.661 224 1HD ARG 34 2HD ARG 34 4.977 -3.130 -3.946 225 2HD ARG 34 1HD ARG 34 3.213 -3.076 -3.954 226 HE ARG 34 HE ARG 34 3.952 -0.543 -3.273 227 1HH1 ARG 34 1HH1 ARG 34 4.792 -2.648 -5.942 228 2HH1 ARG 34 2HH1 ARG 34 4.928 -1.355 -7.085 229 1HH2 ARG 34 1HH2 ARG 34 4.112 1.157 -4.758 230 2HH2 ARG 34 2HH2 ARG 34 4.536 0.824 -6.411 231 HA PRO 35 HA PRO 35 1.256 -8.672 -1.247 232 1HB PRO 35 2HB PRO 35 4.102 -9.450 -1.475 233 2HB PRO 35 1HB PRO 35 2.666 -10.204 -2.171 234 1HG PRO 35 2HG PRO 35 4.417 -8.729 -3.625 235 2HG PRO 35 1HG PRO 35 2.696 -8.864 -4.019 236 1HD PRO 35 2HD PRO 35 4.195 -6.587 -2.894 237 2HD PRO 35 1HD PRO 35 2.667 -6.604 -3.788 238 H LYS 36 H LYS 36 1.440 -9.925 0.655 239 HA LYS 36 HA LYS 36 2.567 -8.501 2.881 240 1HB LYS 36 2HB LYS 36 0.388 -9.858 2.858 241 2HB LYS 36 1HB LYS 36 1.412 -11.287 2.946 242 1HG LYS 36 2HG LYS 36 2.357 -10.480 5.050 243 2HG LYS 36 1HG LYS 36 1.326 -9.050 4.961 244 1HD LYS 36 2HD LYS 36 -0.638 -10.665 4.858 245 2HD LYS 36 1HD LYS 36 0.508 -11.920 5.336 246 1HE LYS 36 2HE LYS 36 -0.623 -11.075 7.293 247 2HE LYS 36 1HE LYS 36 1.073 -10.593 7.340 248 1HZ LYS 36 1HZ LYS 36 0.530 -8.445 7.261 249 2HZ LYS 36 2HZ LYS 36 -1.038 -8.931 7.666 250 3HZ LYS 36 3HZ LYS 36 -0.628 -8.669 6.045 251 H GLY 37 H GLY 37 4.646 -8.617 3.337 252 1HA GLY 37 2HA GLY 37 6.651 -9.648 3.962 253 2HA GLY 37 1HA GLY 37 5.993 -11.194 3.428 254 H TRP 38 H TRP 38 6.345 -8.093 1.787 255 HA TRP 38 HA TRP 38 7.195 -9.266 -0.649 256 1HB TRP 38 2HB TRP 38 7.348 -6.995 -1.463 257 2HB TRP 38 1HB TRP 38 5.913 -7.119 -0.452 258 HD1 TRP 38 HD TRP 38 9.405 -5.563 -0.514 259 HE1 TRP 38 1HE TRP 38 9.539 -3.722 1.271 260 HE3 TRP 38 3HE TRP 38 4.884 -6.295 1.755 261 HZ2 TRP 38 2HZ TRP 38 7.943 -2.709 3.365 262 HZ3 TRP 38 3HZ TRP 38 4.265 -4.850 3.644 263 HH2 TRP 38 HH TRP 38 5.764 -3.092 4.431 Start of MODEL 9 1 1H LYS 1 1HT LYS 1 -14.489 -3.971 -0.033 2 2H LYS 1 2HT LYS 1 -14.715 -4.621 -1.577 3 3H LYS 1 3HT LYS 1 -15.792 -3.460 -0.983 4 HA LYS 1 HA LYS 1 -13.892 -2.807 -2.644 5 1HB LYS 1 2HB LYS 1 -14.668 -1.247 -0.164 6 2HB LYS 1 1HB LYS 1 -13.917 -0.548 -1.586 7 1HG LYS 1 2HG LYS 1 -16.587 -1.928 -1.623 8 2HG LYS 1 1HG LYS 1 -16.382 -0.197 -1.375 9 1HD LYS 1 2HD LYS 1 -15.650 -1.802 -3.821 10 2HD LYS 1 1HD LYS 1 -16.906 -0.575 -3.682 11 1HE LYS 1 2HE LYS 1 -13.926 -0.226 -3.749 12 2HE LYS 1 1HE LYS 1 -15.144 0.499 -4.791 13 1HZ LYS 1 1HZ LYS 1 -15.743 1.374 -2.250 14 2HZ LYS 1 2HZ LYS 1 -15.014 2.270 -3.481 15 3HZ LYS 1 3HZ LYS 1 -14.050 1.464 -2.342 16 H CYS 2 H CYS 2 -11.716 -3.009 -2.769 17 HA CYS 2 HA CYS 2 -10.055 -2.169 -0.626 18 1HB CYS 2 2HB CYS 2 -8.850 -4.253 -0.234 19 2HB CYS 2 1HB CYS 2 -10.534 -4.397 0.228 20 H LEU 3 H LEU 3 -7.872 -2.054 -1.167 21 HA LEU 3 HA LEU 3 -7.460 -1.556 -3.975 22 1HB LEU 3 2HB LEU 3 -5.607 -1.294 -1.612 23 2HB LEU 3 1HB LEU 3 -5.263 -0.727 -3.230 24 HG LEU 3 HG LEU 3 -7.446 0.283 -1.419 25 1HD1 LEU 3 1HD1 LEU 3 -4.920 0.877 -1.099 26 2HD1 LEU 3 2HD1 LEU 3 -6.161 2.127 -1.000 27 3HD1 LEU 3 3HD1 LEU 3 -5.213 1.941 -2.476 28 1HD2 LEU 3 1HD2 LEU 3 -8.241 0.393 -3.675 29 2HD2 LEU 3 2HD2 LEU 3 -6.704 1.047 -4.240 30 3HD2 LEU 3 3HD2 LEU 3 -7.743 2.015 -3.194 31 H ALA 4 H ALA 4 -6.298 -2.751 -5.386 32 HA ALA 4 HA ALA 4 -5.613 -5.433 -4.630 33 1HB ALA 4 1HB ALA 4 -5.091 -5.752 -6.984 34 2HB ALA 4 2HB ALA 4 -5.214 -4.014 -7.261 35 3HB ALA 4 3HB ALA 4 -6.644 -4.936 -6.793 36 H GLU 5 H GLU 5 -3.432 -6.051 -6.129 37 HA GLU 5 HA GLU 5 -1.319 -5.195 -4.442 38 1HB GLU 5 2HB GLU 5 0.075 -6.622 -6.022 39 2HB GLU 5 1HB GLU 5 -1.198 -7.430 -5.120 40 1HG GLU 5 2HG GLU 5 -2.625 -7.013 -7.239 41 2HG GLU 5 1HG GLU 5 -1.064 -6.779 -8.029 42 H ALA 6 H ALA 6 0.237 -3.839 -4.741 43 HA ALA 6 HA ALA 6 1.467 -2.109 -5.494 44 1HB ALA 6 1HB ALA 6 2.559 -2.794 -7.304 45 2HB ALA 6 2HB ALA 6 1.239 -2.169 -8.295 46 3HB ALA 6 3HB ALA 6 1.222 -3.851 -7.762 47 H ALA 7 H ALA 7 -1.078 -1.521 -4.720 48 HA ALA 7 HA ALA 7 -1.858 0.548 -6.683 49 1HB ALA 7 1HB ALA 7 -4.140 0.346 -5.978 50 2HB ALA 7 2HB ALA 7 -3.693 -0.779 -4.694 51 3HB ALA 7 3HB ALA 7 -3.538 -1.262 -6.383 52 H ASP 8 H ASP 8 -1.734 2.602 -6.032 53 HA ASP 8 HA ASP 8 -0.590 3.442 -3.649 54 1HB ASP 8 2HB ASP 8 -0.987 4.733 -5.854 55 2HB ASP 8 1HB ASP 8 -2.565 5.131 -5.183 56 H CYS 9 H CYS 9 -1.376 3.919 -1.606 57 HA CYS 9 HA CYS 9 -4.246 3.381 -1.249 58 1HB CYS 9 2HB CYS 9 -3.845 2.403 0.826 59 2HB CYS 9 1HB CYS 9 -2.522 1.830 -0.167 60 H SER 10 H SER 10 -4.841 4.194 1.115 61 HA SER 10 HA SER 10 -3.938 6.855 1.720 62 1HB SER 10 2HB SER 10 -6.688 6.382 0.545 63 2HB SER 10 1HB SER 10 -6.264 7.826 1.463 64 HG SER 10 HG SER 10 -4.527 7.161 -0.597 65 HA PRO 11 HA PRO 11 -5.091 5.444 5.724 66 1HB PRO 11 2HB PRO 11 -5.707 8.245 6.410 67 2HB PRO 11 1HB PRO 11 -4.503 7.157 7.103 68 1HG PRO 11 2HG PRO 11 -3.811 9.209 5.515 69 2HG PRO 11 1HG PRO 11 -2.924 7.677 5.512 70 1HD PRO 11 2HD PRO 11 -4.912 8.715 3.544 71 2HD PRO 11 1HD PRO 11 -3.433 7.775 3.269 72 H TRP 12 H TRP 12 -7.202 7.976 4.387 73 HA TRP 12 HA TRP 12 -9.521 6.421 5.289 74 1HB TRP 12 2HB TRP 12 -9.310 9.427 5.580 75 2HB TRP 12 1HB TRP 12 -10.677 8.424 6.048 76 HD1 TRP 12 HD TRP 12 -10.284 6.795 8.220 77 HE1 TRP 12 1HE TRP 12 -8.775 7.130 10.278 78 HE3 TRP 12 3HE TRP 12 -7.165 10.400 6.367 79 HZ2 TRP 12 2HZ TRP 12 -6.564 8.718 11.023 80 HZ3 TRP 12 3HZ TRP 12 -5.385 11.279 7.820 81 HH2 TRP 12 HH TRP 12 -5.092 10.454 10.099 82 H SER 13 H SER 13 -8.163 8.834 3.147 83 HA SER 13 HA SER 13 -10.517 9.140 1.555 84 1HB SER 13 2HB SER 13 -8.825 10.323 0.019 85 2HB SER 13 1HB SER 13 -9.085 11.006 1.626 86 HG SER 13 HG SER 13 -6.868 9.660 0.583 87 H GLY 14 H GLY 14 -10.010 6.400 1.672 88 1HA GLY 14 2HA GLY 14 -10.172 5.631 -0.981 89 2HA GLY 14 1HA GLY 14 -8.473 5.498 -0.550 90 H ASP 15 H ASP 15 -10.039 3.346 -1.347 91 HA ASP 15 HA ASP 15 -11.144 1.797 0.713 92 1HB ASP 15 2HB ASP 15 -9.902 1.096 -1.938 93 2HB ASP 15 1HB ASP 15 -10.442 -0.160 -0.837 94 H SER 16 H SER 16 -10.275 -0.014 1.830 95 HA SER 16 HA SER 16 -7.537 0.346 2.668 96 1HB SER 16 2HB SER 16 -9.408 -1.903 3.433 97 2HB SER 16 1HB SER 16 -8.017 -1.304 4.335 98 HG SER 16 HG SER 16 -9.527 0.776 4.041 99 H CYS 17 H CYS 17 -5.887 -1.253 2.390 100 HA CYS 17 HA CYS 17 -5.781 -2.420 -0.159 101 1HB CYS 17 2HB CYS 17 -4.134 -3.187 2.261 102 2HB CYS 17 1HB CYS 17 -3.709 -3.456 0.577 103 H CYS 18 H CYS 18 -6.107 -4.501 -0.901 104 HA CYS 18 HA CYS 18 -7.921 -6.185 0.497 105 1HB CYS 18 2HB CYS 18 -6.135 -6.880 -1.855 106 2HB CYS 18 1HB CYS 18 -7.509 -7.822 -1.299 107 H LYS 19 H LYS 19 -7.558 -8.095 1.568 108 HA LYS 19 HA LYS 19 -5.009 -8.275 2.862 109 1HB LYS 19 2HB LYS 19 -6.044 -10.130 4.101 110 2HB LYS 19 1HB LYS 19 -7.033 -8.687 4.129 111 1HG LYS 19 2HG LYS 19 -8.507 -9.620 2.455 112 2HG LYS 19 1HG LYS 19 -7.472 -11.041 2.302 113 1HD LYS 19 2HD LYS 19 -7.924 -11.592 4.661 114 2HD LYS 19 1HD LYS 19 -9.005 -10.201 4.762 115 1HE LYS 19 2HE LYS 19 -10.265 -12.257 4.408 116 2HE LYS 19 1HE LYS 19 -10.424 -11.174 3.026 117 1HZ LYS 19 1HZ LYS 19 -8.678 -12.490 1.909 118 2HZ LYS 19 2HZ LYS 19 -10.065 -13.397 2.251 119 3HZ LYS 19 3HZ LYS 19 -8.683 -13.573 3.208 120 HA PRO 20 HA PRO 20 -3.793 -9.335 3.758 121 1HB PRO 20 2HB PRO 20 -1.549 -10.741 4.062 122 2HB PRO 20 1HB PRO 20 -3.131 -11.503 4.267 123 1HG PRO 20 2HG PRO 20 -1.173 -11.811 2.079 124 2HG PRO 20 1HG PRO 20 -2.462 -12.909 2.595 125 1HD PRO 20 2HD PRO 20 -2.495 -10.950 0.447 126 2HD PRO 20 1HD PRO 20 -3.725 -12.163 0.862 127 H TYR 21 H TYR 21 -3.261 -7.986 1.147 128 HA TYR 21 HA TYR 21 -0.460 -7.401 1.063 129 1HB TYR 21 2HB TYR 21 -2.710 -5.835 -0.224 130 2HB TYR 21 1HB TYR 21 -0.998 -5.719 -0.597 131 HD1 TYR 21 1HD TYR 21 -3.879 -8.080 -0.716 132 HD2 TYR 21 2HD TYR 21 -0.015 -7.098 -2.191 133 HE1 TYR 21 1HE TYR 21 -4.092 -9.835 -2.425 134 HE2 TYR 21 2HE TYR 21 -0.217 -8.844 -3.905 135 HH TYR 21 HH TYR 21 -1.826 -10.132 -5.045 136 H LEU 22 H LEU 22 0.614 -5.627 1.715 137 HA LEU 22 HA LEU 22 -0.744 -3.929 3.707 138 1HB LEU 22 2HB LEU 22 0.921 -5.432 4.676 139 2HB LEU 22 1HB LEU 22 2.127 -4.857 3.544 140 HG LEU 22 HG LEU 22 1.889 -2.577 4.606 141 1HD1 LEU 22 1HD1 LEU 22 0.532 -4.080 6.826 142 2HD1 LEU 22 2HD1 LEU 22 -0.348 -3.131 5.628 143 3HD1 LEU 22 3HD1 LEU 22 0.814 -2.344 6.697 144 1HD2 LEU 22 1HD2 LEU 22 2.912 -3.682 6.882 145 2HD2 LEU 22 2HD2 LEU 22 3.817 -3.395 5.396 146 3HD2 LEU 22 3HD2 LEU 22 3.124 -4.986 5.713 147 H CYS 23 H CYS 23 -0.500 -1.698 3.521 148 HA CYS 23 HA CYS 23 0.422 -0.744 0.993 149 1HB CYS 23 2HB CYS 23 -1.480 0.327 2.169 150 2HB CYS 23 1HB CYS 23 -0.356 0.918 3.391 151 H SER 24 H SER 24 2.471 -0.843 0.594 152 HA SER 24 HA SER 24 4.487 -0.295 2.579 153 1HB SER 24 2HB SER 24 6.045 -0.676 0.644 154 2HB SER 24 1HB SER 24 4.927 -2.012 0.912 155 HG SER 24 HG SER 24 3.837 -0.201 -0.756 156 H CYS 25 H CYS 25 5.505 1.635 2.866 157 HA CYS 25 HA CYS 25 5.254 3.676 0.797 158 1HB CYS 25 2HB CYS 25 3.385 3.849 2.588 159 2HB CYS 25 1HB CYS 25 4.667 4.423 3.650 160 H ILE 26 H ILE 26 7.490 2.390 1.100 161 HA ILE 26 HA ILE 26 9.207 3.627 3.077 162 HB ILE 26 HB ILE 26 10.970 2.185 2.215 163 1HG1 ILE 26 2HG1 ILE 26 8.918 1.297 0.173 164 2HG1 ILE 26 1HG1 ILE 26 10.375 2.225 -0.159 165 1HG2 ILE 26 1HG2 ILE 26 10.073 0.779 3.690 166 2HG2 ILE 26 2HG2 ILE 26 9.270 -0.009 2.330 167 3HG2 ILE 26 3HG2 ILE 26 8.432 1.248 3.242 168 1HD1 ILE 26 1HD1 ILE 26 10.042 -0.583 -0.086 169 2HD1 ILE 26 2HD1 ILE 26 11.143 -0.126 1.214 170 3HD1 ILE 26 3HD1 ILE 26 11.496 0.348 -0.447 171 H PHE 27 H PHE 27 11.567 3.832 1.690 172 HA PHE 27 HA PHE 27 11.406 6.434 0.667 173 1HB PHE 27 2HB PHE 27 13.583 4.361 0.576 174 2HB PHE 27 1HB PHE 27 13.791 5.966 -0.110 175 HD1 PHE 27 1HD PHE 27 15.036 7.352 1.207 176 HD2 PHE 27 2HD PHE 27 12.403 4.587 3.086 177 HE1 PHE 27 1HE PHE 27 15.719 8.204 3.410 178 HE2 PHE 27 2HE PHE 27 13.079 5.436 5.292 179 HZ PHE 27 HZ PHE 27 14.739 7.247 5.457 180 H PHE 28 H PHE 28 12.197 3.440 -1.109 181 HA PHE 28 HA PHE 28 12.021 4.788 -3.635 182 1HB PHE 28 2HB PHE 28 12.417 1.884 -2.912 183 2HB PHE 28 1HB PHE 28 12.366 2.465 -4.572 184 HD1 PHE 28 1HD PHE 28 14.108 3.349 -1.375 185 HD2 PHE 28 2HD PHE 28 14.381 2.791 -5.586 186 HE1 PHE 28 1HE PHE 28 16.515 3.846 -1.282 187 HE2 PHE 28 2HE PHE 28 16.789 3.286 -5.499 188 HZ PHE 28 HZ PHE 28 17.859 3.815 -3.344 189 H TYR 29 H TYR 29 9.927 2.751 -1.747 190 HA TYR 29 HA TYR 29 7.983 2.663 -3.936 191 1HB TYR 29 2HB TYR 29 8.281 1.055 -1.410 192 2HB TYR 29 1HB TYR 29 6.775 1.063 -2.315 193 HD1 TYR 29 1HD TYR 29 6.571 -1.038 -3.230 194 HD2 TYR 29 2HD TYR 29 10.316 0.956 -3.534 195 HE1 TYR 29 1HE TYR 29 7.409 -2.847 -4.665 196 HE2 TYR 29 2HE TYR 29 11.163 -0.849 -4.974 197 HH TYR 29 HH TYR 29 10.138 -3.688 -5.165 198 HA PRO 30 HA PRO 30 5.898 6.001 -1.708 199 1HB PRO 30 2HB PRO 30 4.001 5.786 -3.948 200 2HB PRO 30 1HB PRO 30 4.969 7.170 -3.434 201 1HG PRO 30 2HG PRO 30 5.507 5.828 -5.700 202 2HG PRO 30 1HG PRO 30 6.788 6.541 -4.703 203 1HD PRO 30 2HD PRO 30 5.886 3.689 -4.877 204 2HD PRO 30 1HD PRO 30 7.534 4.344 -4.779 205 H CYS 31 H CYS 31 3.703 6.199 -0.803 206 HA CYS 31 HA CYS 31 2.763 3.965 0.461 207 1HB CYS 31 2HB CYS 31 1.416 6.556 -0.255 208 2HB CYS 31 1HB CYS 31 0.523 5.297 0.582 209 H SER 32 H SER 32 2.383 2.140 -0.724 210 HA SER 32 HA SER 32 -0.080 2.058 -2.240 211 1HB SER 32 2HB SER 32 1.127 0.858 -4.156 212 2HB SER 32 1HB SER 32 1.337 2.605 -4.065 213 HG SER 32 HG SER 32 3.334 2.185 -2.940 214 H CYS 33 H CYS 33 -1.051 0.082 -2.135 215 HA CYS 33 HA CYS 33 -0.153 -1.764 -0.199 216 1HB CYS 33 2HB CYS 33 -2.199 -2.413 -2.306 217 2HB CYS 33 1HB CYS 33 -2.102 -2.995 -0.653 218 H ARG 34 H ARG 34 1.310 -3.212 -0.369 219 HA ARG 34 HA ARG 34 1.935 -4.450 -2.973 220 1HB ARG 34 2HB ARG 34 3.705 -3.268 -0.874 221 2HB ARG 34 1HB ARG 34 4.251 -4.749 -1.634 222 1HG ARG 34 2HG ARG 34 5.084 -2.546 -2.593 223 2HG ARG 34 1HG ARG 34 4.460 -3.738 -3.726 224 1HD ARG 34 2HD ARG 34 2.470 -2.547 -4.054 225 2HD ARG 34 1HD ARG 34 2.718 -1.570 -2.610 226 HE ARG 34 HE ARG 34 3.765 -0.065 -3.929 227 1HH1 ARG 34 1HH1 ARG 34 4.183 -3.204 -5.453 228 2HH1 ARG 34 2HH1 ARG 34 5.060 -2.569 -6.803 229 1HH2 ARG 34 1HH2 ARG 34 4.902 0.762 -5.703 230 2HH2 ARG 34 2HH2 ARG 34 5.471 -0.302 -6.946 231 HA PRO 35 HA PRO 35 1.154 -8.381 -1.131 232 1HB PRO 35 2HB PRO 35 3.919 -9.215 -1.831 233 2HB PRO 35 1HB PRO 35 2.373 -9.972 -2.235 234 1HG PRO 35 2HG PRO 35 3.773 -8.606 -4.063 235 2HG PRO 35 1HG PRO 35 2.002 -8.568 -4.032 236 1HD PRO 35 2HD PRO 35 3.956 -6.495 -3.160 237 2HD PRO 35 1HD PRO 35 2.350 -6.300 -3.883 238 H LYS 36 H LYS 36 1.626 -9.627 0.737 239 HA LYS 36 HA LYS 36 3.079 -8.171 2.738 240 1HB LYS 36 2HB LYS 36 0.918 -9.470 3.089 241 2HB LYS 36 1HB LYS 36 1.877 -10.936 2.979 242 1HG LYS 36 2HG LYS 36 2.521 -8.803 4.985 243 2HG LYS 36 1HG LYS 36 1.294 -10.029 5.301 244 1HD LYS 36 2HD LYS 36 2.992 -11.781 4.899 245 2HD LYS 36 1HD LYS 36 4.207 -10.520 4.678 246 1HE LYS 36 2HE LYS 36 4.315 -11.418 6.932 247 2HE LYS 36 1HE LYS 36 3.790 -9.735 6.965 248 1HZ LYS 36 1HZ LYS 36 1.444 -10.755 6.974 249 2HZ LYS 36 2HZ LYS 36 2.337 -10.763 8.411 250 3HZ LYS 36 3HZ LYS 36 2.218 -12.172 7.481 251 H GLY 37 H GLY 37 5.198 -8.216 2.679 252 1HA GLY 37 2HA GLY 37 7.277 -9.261 3.123 253 2HA GLY 37 1HA GLY 37 6.578 -10.801 2.628 254 H TRP 38 H TRP 38 6.624 -7.653 1.040 255 HA TRP 38 HA TRP 38 7.274 -8.796 -1.493 256 1HB TRP 38 2HB TRP 38 6.990 -6.598 -2.367 257 2HB TRP 38 1HB TRP 38 5.789 -6.767 -1.091 258 HD1 TRP 38 HD TRP 38 8.888 -4.806 -2.048 259 HE1 TRP 38 1HE TRP 38 9.242 -2.887 -0.377 260 HE3 TRP 38 3HE TRP 38 5.364 -6.086 1.426 261 HZ2 TRP 38 2HZ TRP 38 8.173 -2.025 2.087 262 HZ3 TRP 38 3HZ TRP 38 5.095 -4.664 3.411 263 HH2 TRP 38 HH TRP 38 6.470 -2.675 3.735 Start of MODEL 10 1 1H LYS 1 1HT LYS 1 -14.601 -3.681 -1.063 2 2H LYS 1 2HT LYS 1 -14.895 -4.865 -2.236 3 3H LYS 1 3HT LYS 1 -15.631 -3.348 -2.364 4 HA LYS 1 HA LYS 1 -13.328 -4.123 -3.560 5 1HB LYS 1 2HB LYS 1 -13.213 -1.853 -4.336 6 2HB LYS 1 1HB LYS 1 -14.905 -2.286 -4.190 7 1HG LYS 1 2HG LYS 1 -13.427 -0.728 -2.086 8 2HG LYS 1 1HG LYS 1 -14.268 0.029 -3.437 9 1HD LYS 1 2HD LYS 1 -16.353 -1.111 -2.684 10 2HD LYS 1 1HD LYS 1 -15.474 -1.680 -1.264 11 1HE LYS 1 2HE LYS 1 -15.951 1.200 -2.040 12 2HE LYS 1 1HE LYS 1 -16.760 0.325 -0.741 13 1HZ LYS 1 1HZ LYS 1 -13.977 0.115 -0.384 14 2HZ LYS 1 2HZ LYS 1 -15.112 0.883 0.612 15 3HZ LYS 1 3HZ LYS 1 -14.352 1.746 -0.633 16 H CYS 2 H CYS 2 -11.159 -3.468 -3.414 17 HA CYS 2 HA CYS 2 -10.105 -2.202 -1.047 18 1HB CYS 2 2HB CYS 2 -8.734 -4.239 -0.446 19 2HB CYS 2 1HB CYS 2 -10.445 -4.350 -0.055 20 H LEU 3 H LEU 3 -7.802 -1.947 -1.205 21 HA LEU 3 HA LEU 3 -6.974 -1.540 -3.931 22 1HB LEU 3 2HB LEU 3 -5.426 -1.155 -1.368 23 2HB LEU 3 1HB LEU 3 -5.015 -0.505 -2.937 24 HG LEU 3 HG LEU 3 -7.437 0.256 -1.310 25 1HD1 LEU 3 1HD1 LEU 3 -5.420 2.277 -1.959 26 2HD1 LEU 3 2HD1 LEU 3 -4.861 1.013 -0.862 27 3HD1 LEU 3 3HD1 LEU 3 -6.283 1.973 -0.451 28 1HD2 LEU 3 1HD2 LEU 3 -7.125 0.398 -4.046 29 2HD2 LEU 3 2HD2 LEU 3 -6.652 2.005 -3.496 30 3HD2 LEU 3 3HD2 LEU 3 -8.239 1.361 -3.076 31 H ALA 4 H ALA 4 -5.988 -3.072 -5.121 32 HA ALA 4 HA ALA 4 -5.033 -5.489 -3.901 33 1HB ALA 4 1HB ALA 4 -6.213 -5.295 -6.141 34 2HB ALA 4 2HB ALA 4 -4.789 -6.335 -6.081 35 3HB ALA 4 3HB ALA 4 -4.674 -4.721 -6.782 36 H GLU 5 H GLU 5 -2.872 -6.146 -5.534 37 HA GLU 5 HA GLU 5 -0.781 -4.882 -4.088 38 1HB GLU 5 2HB GLU 5 0.692 -6.298 -5.627 39 2HB GLU 5 1HB GLU 5 -0.381 -7.133 -4.515 40 1HG GLU 5 2HG GLU 5 -2.010 -7.313 -6.442 41 2HG GLU 5 1HG GLU 5 -0.680 -6.785 -7.477 42 H ALA 6 H ALA 6 0.544 -3.383 -4.610 43 HA ALA 6 HA ALA 6 1.560 -1.656 -5.636 44 1HB ALA 6 1HB ALA 6 2.478 -2.309 -7.552 45 2HB ALA 6 2HB ALA 6 0.972 -1.921 -8.383 46 3HB ALA 6 3HB ALA 6 1.240 -3.548 -7.760 47 H ALA 7 H ALA 7 -1.050 -1.450 -4.641 48 HA ALA 7 HA ALA 7 -2.301 0.417 -6.546 49 1HB ALA 7 1HB ALA 7 -4.249 -0.476 -5.987 50 2HB ALA 7 2HB ALA 7 -3.977 -0.078 -4.291 51 3HB ALA 7 3HB ALA 7 -3.405 -1.616 -4.937 52 H ASP 8 H ASP 8 -2.308 2.526 -6.133 53 HA ASP 8 HA ASP 8 -0.808 3.690 -4.085 54 1HB ASP 8 2HB ASP 8 -1.322 4.827 -6.203 55 2HB ASP 8 1HB ASP 8 -3.019 4.923 -5.746 56 H CYS 9 H CYS 9 -1.259 4.363 -2.055 57 HA CYS 9 HA CYS 9 -3.908 3.711 -1.001 58 1HB CYS 9 2HB CYS 9 -1.550 4.662 0.606 59 2HB CYS 9 1HB CYS 9 -2.977 3.825 1.182 60 H SER 10 H SER 10 -5.063 5.179 0.303 61 HA SER 10 HA SER 10 -4.967 7.882 -0.682 62 1HB SER 10 2HB SER 10 -6.755 6.734 1.471 63 2HB SER 10 1HB SER 10 -7.041 8.178 0.498 64 HG SER 10 HG SER 10 -6.663 6.261 -1.225 65 HA PRO 11 HA PRO 11 -2.188 9.390 2.415 66 1HB PRO 11 2HB PRO 11 -2.949 12.042 2.240 67 2HB PRO 11 1HB PRO 11 -1.791 11.244 1.173 68 1HG PRO 11 2HG PRO 11 -4.697 11.799 0.742 69 2HG PRO 11 1HG PRO 11 -3.351 11.929 -0.402 70 1HD PRO 11 2HD PRO 11 -5.024 9.847 -0.466 71 2HD PRO 11 1HD PRO 11 -3.289 9.642 -0.785 72 H TRP 12 H TRP 12 -5.358 11.068 2.574 73 HA TRP 12 HA TRP 12 -5.118 11.263 5.440 74 1HB TRP 12 2HB TRP 12 -7.396 12.050 3.613 75 2HB TRP 12 1HB TRP 12 -7.299 12.422 5.331 76 HD1 TRP 12 HD TRP 12 -5.364 14.200 6.076 77 HE1 TRP 12 1HE TRP 12 -4.305 16.145 4.767 78 HE3 TRP 12 3HE TRP 12 -6.707 12.819 1.338 79 HZ2 TRP 12 2HZ TRP 12 -4.076 16.988 2.083 80 HZ3 TRP 12 3HZ TRP 12 -6.033 14.255 -0.544 81 HH2 TRP 12 HH TRP 12 -4.745 16.297 -0.177 82 H SER 13 H SER 13 -7.362 9.672 3.197 83 HA SER 13 HA SER 13 -7.623 7.336 4.735 84 1HB SER 13 2HB SER 13 -8.894 8.972 6.205 85 2HB SER 13 1HB SER 13 -10.057 9.135 4.889 86 HG SER 13 HG SER 13 -9.718 7.100 6.695 87 H GLY 14 H GLY 14 -8.935 5.786 3.672 88 1HA GLY 14 2HA GLY 14 -10.628 6.385 1.495 89 2HA GLY 14 1HA GLY 14 -9.024 5.987 0.894 90 H ASP 15 H ASP 15 -9.555 4.059 -0.070 91 HA ASP 15 HA ASP 15 -11.028 2.054 1.366 92 1HB ASP 15 2HB ASP 15 -10.141 2.424 -1.363 93 2HB ASP 15 1HB ASP 15 -9.837 0.782 -0.805 94 H SER 16 H SER 16 -10.256 -0.079 1.761 95 HA SER 16 HA SER 16 -7.580 -0.027 2.883 96 1HB SER 16 2HB SER 16 -9.700 -2.147 3.188 97 2HB SER 16 1HB SER 16 -8.252 -1.947 4.170 98 HG SER 16 HG SER 16 -9.708 0.330 4.116 99 H CYS 17 H CYS 17 -6.051 -1.658 2.519 100 HA CYS 17 HA CYS 17 -5.904 -2.555 -0.181 101 1HB CYS 17 2HB CYS 17 -4.185 -3.479 2.135 102 2HB CYS 17 1HB CYS 17 -3.779 -3.514 0.425 103 H CYS 18 H CYS 18 -6.089 -4.649 -0.980 104 HA CYS 18 HA CYS 18 -7.929 -6.397 0.268 105 1HB CYS 18 2HB CYS 18 -5.994 -6.954 -2.000 106 2HB CYS 18 1HB CYS 18 -7.369 -7.958 -1.561 107 H LYS 19 H LYS 19 -7.574 -8.412 1.210 108 HA LYS 19 HA LYS 19 -5.125 -8.584 2.684 109 1HB LYS 19 2HB LYS 19 -6.355 -10.866 3.338 110 2HB LYS 19 1HB LYS 19 -6.766 -9.326 4.066 111 1HG LYS 19 2HG LYS 19 -8.782 -10.491 3.502 112 2HG LYS 19 1HG LYS 19 -8.616 -9.103 2.429 113 1HD LYS 19 2HD LYS 19 -9.373 -11.041 1.184 114 2HD LYS 19 1HD LYS 19 -7.747 -10.589 0.670 115 1HE LYS 19 2HE LYS 19 -6.902 -12.341 2.300 116 2HE LYS 19 1HE LYS 19 -8.574 -12.890 2.425 117 1HZ LYS 19 1HZ LYS 19 -7.327 -14.156 0.778 118 2HZ LYS 19 2HZ LYS 19 -6.995 -12.741 -0.087 119 3HZ LYS 19 3HZ LYS 19 -8.587 -13.296 0.048 120 HA PRO 20 HA PRO 20 -3.812 -9.504 3.513 121 1HB PRO 20 2HB PRO 20 -1.516 -10.808 3.852 122 2HB PRO 20 1HB PRO 20 -3.063 -11.656 3.984 123 1HG PRO 20 2HG PRO 20 -1.019 -11.816 1.863 124 2HG PRO 20 1HG PRO 20 -2.288 -12.975 2.288 125 1HD PRO 20 2HD PRO 20 -2.307 -10.914 0.224 126 2HD PRO 20 1HD PRO 20 -3.478 -12.220 0.505 127 H TYR 21 H TYR 21 -3.258 -8.112 0.914 128 HA TYR 21 HA TYR 21 -0.498 -7.389 0.889 129 1HB TYR 21 2HB TYR 21 -2.763 -5.801 -0.333 130 2HB TYR 21 1HB TYR 21 -1.061 -5.759 -0.771 131 HD1 TYR 21 1HD TYR 21 -0.028 -7.746 -1.885 132 HD2 TYR 21 2HD TYR 21 -4.226 -7.411 -1.305 133 HE1 TYR 21 1HE TYR 21 -0.396 -9.471 -3.597 134 HE2 TYR 21 2HE TYR 21 -4.606 -9.137 -3.013 135 HH TYR 21 HH TYR 21 -2.179 -10.184 -5.147 136 H LEU 22 H LEU 22 0.507 -5.599 1.633 137 HA LEU 22 HA LEU 22 -0.964 -4.028 3.645 138 1HB LEU 22 2HB LEU 22 0.684 -5.552 4.608 139 2HB LEU 22 1HB LEU 22 1.929 -4.884 3.574 140 HG LEU 22 HG LEU 22 1.563 -2.672 4.748 141 1HD1 LEU 22 1HD1 LEU 22 0.348 -2.557 6.740 142 2HD1 LEU 22 2HD1 LEU 22 0.222 -4.312 6.868 143 3HD1 LEU 22 3HD1 LEU 22 -0.702 -3.449 5.639 144 1HD2 LEU 22 1HD2 LEU 22 2.388 -4.639 6.807 145 2HD2 LEU 22 2HD2 LEU 22 3.192 -3.170 6.251 146 3HD2 LEU 22 3HD2 LEU 22 3.268 -4.639 5.279 147 H CYS 23 H CYS 23 -0.744 -1.812 3.622 148 HA CYS 23 HA CYS 23 0.260 -0.625 1.219 149 1HB CYS 23 2HB CYS 23 -1.715 0.323 2.320 150 2HB CYS 23 1HB CYS 23 -0.748 0.701 3.743 151 H SER 24 H SER 24 2.297 -0.239 0.846 152 HA SER 24 HA SER 24 4.090 0.267 3.118 153 1HB SER 24 2HB SER 24 5.903 -0.452 1.607 154 2HB SER 24 1HB SER 24 4.666 -1.699 1.751 155 HG SER 24 HG SER 24 3.960 -0.138 -0.255 156 H CYS 25 H CYS 25 5.419 2.073 3.091 157 HA CYS 25 HA CYS 25 5.253 3.876 0.804 158 1HB CYS 25 2HB CYS 25 3.468 4.390 2.641 159 2HB CYS 25 1HB CYS 25 4.838 5.019 3.552 160 H ILE 26 H ILE 26 7.390 2.539 1.079 161 HA ILE 26 HA ILE 26 9.277 3.681 2.948 162 HB ILE 26 HB ILE 26 10.890 2.106 1.998 163 1HG1 ILE 26 2HG1 ILE 26 8.639 1.292 0.143 164 2HG1 ILE 26 1HG1 ILE 26 10.082 2.176 -0.336 165 1HG2 ILE 26 1HG2 ILE 26 10.041 0.693 3.482 166 2HG2 ILE 26 2HG2 ILE 26 8.911 0.108 2.260 167 3HG2 ILE 26 3HG2 ILE 26 8.453 1.442 3.319 168 1HD1 ILE 26 1HD1 ILE 26 11.401 0.187 0.524 169 2HD1 ILE 26 2HD1 ILE 26 10.472 -0.044 -0.958 170 3HD1 ILE 26 3HD1 ILE 26 9.859 -0.670 0.574 171 H PHE 27 H PHE 27 11.580 3.623 1.415 172 HA PHE 27 HA PHE 27 11.605 6.238 0.369 173 1HB PHE 27 2HB PHE 27 13.600 3.990 0.322 174 2HB PHE 27 1HB PHE 27 13.928 5.534 -0.450 175 HD1 PHE 27 1HD PHE 27 15.354 6.833 0.772 176 HD2 PHE 27 2HD PHE 27 12.468 4.480 2.834 177 HE1 PHE 27 1HE PHE 27 16.159 7.729 2.917 178 HE2 PHE 27 2HE PHE 27 13.266 5.375 4.981 179 HZ PHE 27 HZ PHE 27 15.114 7.002 5.024 180 H PHE 28 H PHE 28 12.327 3.202 -1.365 181 HA PHE 28 HA PHE 28 12.153 4.454 -3.912 182 1HB PHE 28 2HB PHE 28 12.323 1.560 -3.081 183 2HB PHE 28 1HB PHE 28 12.247 2.059 -4.765 184 HD1 PHE 28 1HD PHE 28 14.175 3.085 -1.721 185 HD2 PHE 28 2HD PHE 28 14.249 2.042 -5.847 186 HE1 PHE 28 1HE PHE 28 16.616 3.388 -1.751 187 HE2 PHE 28 2HE PHE 28 16.690 2.343 -5.883 188 HZ PHE 28 HZ PHE 28 17.877 3.016 -3.833 189 H TYR 29 H TYR 29 9.988 2.376 -2.074 190 HA TYR 29 HA TYR 29 7.973 2.596 -4.176 191 1HB TYR 29 2HB TYR 29 8.058 0.931 -1.657 192 2HB TYR 29 1HB TYR 29 6.660 1.021 -2.719 193 HD1 TYR 29 1HD TYR 29 6.391 -0.876 -3.959 194 HD2 TYR 29 2HD TYR 29 10.345 0.527 -3.257 195 HE1 TYR 29 1HE TYR 29 7.280 -2.731 -5.301 196 HE2 TYR 29 2HE TYR 29 11.246 -1.323 -4.602 197 HH TYR 29 HH TYR 29 10.068 -3.902 -5.205 198 HA PRO 30 HA PRO 30 6.120 5.908 -1.818 199 1HB PRO 30 2HB PRO 30 4.114 6.425 -3.564 200 2HB PRO 30 1HB PRO 30 5.777 6.954 -3.843 201 1HG PRO 30 2HG PRO 30 4.302 4.638 -5.011 202 2HG PRO 30 1HG PRO 30 5.467 5.731 -5.779 203 1HD PRO 30 2HD PRO 30 6.072 3.205 -4.881 204 2HD PRO 30 1HD PRO 30 7.261 4.506 -5.059 205 H CYS 31 H CYS 31 3.810 6.359 -1.061 206 HA CYS 31 HA CYS 31 2.812 4.250 0.409 207 1HB CYS 31 2HB CYS 31 1.527 6.811 -0.526 208 2HB CYS 31 1HB CYS 31 0.646 5.662 0.467 209 H SER 32 H SER 32 2.345 2.361 -0.617 210 HA SER 32 HA SER 32 -0.102 2.225 -2.117 211 1HB SER 32 2HB SER 32 1.055 0.996 -4.043 212 2HB SER 32 1HB SER 32 1.258 2.748 -3.993 213 HG SER 32 HG SER 32 3.279 2.266 -2.808 214 H CYS 33 H CYS 33 -1.006 0.191 -2.085 215 HA CYS 33 HA CYS 33 -0.052 -1.605 -0.094 216 1HB CYS 33 2HB CYS 33 -2.140 -2.285 -2.159 217 2HB CYS 33 1HB CYS 33 -1.979 -2.911 -0.528 218 H ARG 34 H ARG 34 1.172 -3.331 -0.273 219 HA ARG 34 HA ARG 34 1.816 -4.405 -2.939 220 1HB ARG 34 2HB ARG 34 3.834 -3.917 -0.726 221 2HB ARG 34 1HB ARG 34 4.168 -4.558 -2.328 222 1HG ARG 34 2HG ARG 34 3.049 -1.810 -1.889 223 2HG ARG 34 1HG ARG 34 4.780 -2.147 -1.919 224 1HD ARG 34 2HD ARG 34 4.674 -2.896 -4.174 225 2HD ARG 34 1HD ARG 34 2.909 -2.888 -4.156 226 HE ARG 34 HE ARG 34 3.562 -0.312 -3.597 227 1HH1 ARG 34 1HH1 ARG 34 4.498 -2.499 -6.168 228 2HH1 ARG 34 2HH1 ARG 34 4.620 -1.248 -7.359 229 1HH2 ARG 34 1HH2 ARG 34 3.705 1.328 -5.141 230 2HH2 ARG 34 2HH2 ARG 34 4.166 0.946 -6.773 231 HA PRO 35 HA PRO 35 1.150 -8.436 -1.272 232 1HB PRO 35 2HB PRO 35 3.981 -9.143 -1.824 233 2HB PRO 35 1HB PRO 35 2.496 -9.950 -2.337 234 1HG PRO 35 2HG PRO 35 3.969 -8.463 -4.027 235 2HG PRO 35 1HG PRO 35 2.204 -8.560 -4.145 236 1HD PRO 35 2HD PRO 35 3.916 -6.346 -3.167 237 2HD PRO 35 1HD PRO 35 2.312 -6.289 -3.918 238 H LYS 36 H LYS 36 1.527 -9.685 0.596 239 HA LYS 36 HA LYS 36 2.854 -8.265 2.710 240 1HB LYS 36 2HB LYS 36 0.753 -9.452 3.126 241 2HB LYS 36 1HB LYS 36 1.502 -10.973 2.667 242 1HG LYS 36 2HG LYS 36 3.016 -10.804 4.583 243 2HG LYS 36 1HG LYS 36 2.246 -9.284 5.048 244 1HD LYS 36 2HD LYS 36 0.139 -10.414 5.400 245 2HD LYS 36 1HD LYS 36 0.817 -11.932 4.806 246 1HE LYS 36 2HE LYS 36 1.742 -10.439 7.260 247 2HE LYS 36 1HE LYS 36 0.695 -11.858 7.262 248 1HZ LYS 36 1HZ LYS 36 3.340 -11.978 7.507 249 2HZ LYS 36 2HZ LYS 36 3.205 -12.145 5.830 250 3HZ LYS 36 3HZ LYS 36 2.411 -13.232 6.854 251 H GLY 37 H GLY 37 4.981 -8.261 2.611 252 1HA GLY 37 2HA GLY 37 7.048 -9.288 3.187 253 2HA GLY 37 1HA GLY 37 6.383 -10.839 2.681 254 H TRP 38 H TRP 38 6.452 -7.706 1.078 255 HA TRP 38 HA TRP 38 7.104 -8.799 -1.451 256 1HB TRP 38 2HB TRP 38 7.054 -6.533 -2.242 257 2HB TRP 38 1HB TRP 38 5.778 -6.691 -1.040 258 HD1 TRP 38 HD TRP 38 9.178 -5.038 -1.600 259 HE1 TRP 38 1HE TRP 38 9.516 -3.193 0.157 260 HE3 TRP 38 3HE TRP 38 5.072 -5.920 1.313 261 HZ2 TRP 38 2HZ TRP 38 8.216 -2.236 2.472 262 HZ3 TRP 38 3HZ TRP 38 4.693 -4.500 3.281 263 HH2 TRP 38 HH TRP 38 6.233 -2.694 3.848 Start of MODEL 11 1 1H LYS 1 1HT LYS 1 -15.896 -2.764 -1.027 2 2H LYS 1 2HT LYS 1 -14.669 -3.199 0.054 3 3H LYS 1 3HT LYS 1 -15.144 -4.273 -1.165 4 HA LYS 1 HA LYS 1 -13.932 -3.275 -2.739 5 1HB LYS 1 2HB LYS 1 -14.370 -0.657 -1.273 6 2HB LYS 1 1HB LYS 1 -13.648 -0.836 -2.864 7 1HG LYS 1 2HG LYS 1 -15.814 -1.795 -3.651 8 2HG LYS 1 1HG LYS 1 -16.501 -1.379 -2.082 9 1HD LYS 1 2HD LYS 1 -15.262 0.577 -4.022 10 2HD LYS 1 1HD LYS 1 -16.990 0.311 -3.815 11 1HE LYS 1 2HE LYS 1 -16.810 2.067 -2.407 12 2HE LYS 1 1HE LYS 1 -16.295 0.826 -1.267 13 1HZ LYS 1 1HZ LYS 1 -14.006 1.555 -2.607 14 2HZ LYS 1 2HZ LYS 1 -14.433 1.998 -1.032 15 3HZ LYS 1 3HZ LYS 1 -14.818 3.014 -2.329 16 H CYS 2 H CYS 2 -11.686 -2.983 -2.895 17 HA CYS 2 HA CYS 2 -10.146 -2.104 -0.655 18 1HB CYS 2 2HB CYS 2 -8.898 -4.203 -0.314 19 2HB CYS 2 1HB CYS 2 -10.585 -4.350 0.145 20 H LEU 3 H LEU 3 -7.931 -1.953 -1.119 21 HA LEU 3 HA LEU 3 -7.438 -1.329 -3.881 22 1HB LEU 3 2HB LEU 3 -5.613 -1.229 -1.482 23 2HB LEU 3 1HB LEU 3 -5.293 -0.504 -3.041 24 HG LEU 3 HG LEU 3 -7.526 0.277 -1.173 25 1HD1 LEU 3 1HD1 LEU 3 -5.588 2.314 -1.809 26 2HD1 LEU 3 2HD1 LEU 3 -4.827 0.914 -1.054 27 3HD1 LEU 3 3HD1 LEU 3 -6.153 1.743 -0.239 28 1HD2 LEU 3 1HD2 LEU 3 -7.159 0.718 -3.977 29 2HD2 LEU 3 2HD2 LEU 3 -7.041 2.253 -3.117 30 3HD2 LEU 3 3HD2 LEU 3 -8.476 1.245 -2.930 31 H ALA 4 H ALA 4 -6.294 -2.491 -5.338 32 HA ALA 4 HA ALA 4 -5.561 -5.188 -4.669 33 1HB ALA 4 1HB ALA 4 -5.077 -5.455 -7.011 34 2HB ALA 4 2HB ALA 4 -5.101 -3.709 -7.257 35 3HB ALA 4 3HB ALA 4 -6.587 -4.562 -6.841 36 H GLU 5 H GLU 5 -3.334 -5.891 -5.835 37 HA GLU 5 HA GLU 5 -1.325 -4.725 -4.216 38 1HB GLU 5 2HB GLU 5 0.215 -6.268 -5.472 39 2HB GLU 5 1HB GLU 5 -1.107 -7.037 -4.610 40 1HG GLU 5 2HG GLU 5 -2.349 -7.201 -6.732 41 2HG GLU 5 1HG GLU 5 -0.952 -6.520 -7.568 42 H ALA 6 H ALA 6 0.323 -3.493 -4.700 43 HA ALA 6 HA ALA 6 1.557 -1.876 -5.652 44 1HB ALA 6 1HB ALA 6 2.461 -2.578 -7.563 45 2HB ALA 6 2HB ALA 6 1.001 -2.108 -8.434 46 3HB ALA 6 3HB ALA 6 1.145 -3.735 -7.768 47 H ALA 7 H ALA 7 -0.846 -1.190 -4.659 48 HA ALA 7 HA ALA 7 -1.646 0.957 -6.511 49 1HB ALA 7 1HB ALA 7 -3.616 -0.458 -4.732 50 2HB ALA 7 2HB ALA 7 -3.333 -0.924 -6.409 51 3HB ALA 7 3HB ALA 7 -3.946 0.687 -6.033 52 H ASP 8 H ASP 8 -1.410 2.901 -5.642 53 HA ASP 8 HA ASP 8 -0.465 3.361 -3.072 54 1HB ASP 8 2HB ASP 8 -1.812 5.228 -5.022 55 2HB ASP 8 1HB ASP 8 -1.103 5.770 -3.505 56 H CYS 9 H CYS 9 -1.382 3.628 -1.125 57 HA CYS 9 HA CYS 9 -4.257 3.249 -0.976 58 1HB CYS 9 2HB CYS 9 -3.951 2.832 1.394 59 2HB CYS 9 1HB CYS 9 -2.856 1.848 0.449 60 H SER 10 H SER 10 -5.387 4.378 0.833 61 HA SER 10 HA SER 10 -5.181 7.218 0.356 62 1HB SER 10 2HB SER 10 -7.090 5.740 2.179 63 2HB SER 10 1HB SER 10 -7.289 7.364 1.518 64 HG SER 10 HG SER 10 -6.873 5.672 -0.498 65 HA PRO 11 HA PRO 11 -2.548 7.844 3.891 66 1HB PRO 11 2HB PRO 11 -2.666 10.569 3.898 67 2HB PRO 11 1HB PRO 11 -1.662 9.635 2.783 68 1HG PRO 11 2HG PRO 11 -4.355 10.865 2.334 69 2HG PRO 11 1HG PRO 11 -2.943 10.847 1.265 70 1HD PRO 11 2HD PRO 11 -5.021 9.172 0.915 71 2HD PRO 11 1HD PRO 11 -3.352 8.690 0.549 72 H TRP 12 H TRP 12 -5.430 9.974 3.734 73 HA TRP 12 HA TRP 12 -5.553 10.079 6.611 74 1HB TRP 12 2HB TRP 12 -7.472 11.171 4.544 75 2HB TRP 12 1HB TRP 12 -7.533 11.507 6.270 76 HD1 TRP 12 HD TRP 12 -5.404 12.948 7.278 77 HE1 TRP 12 1HE TRP 12 -4.009 14.793 6.152 78 HE3 TRP 12 3HE TRP 12 -6.560 11.976 2.392 79 HZ2 TRP 12 2HZ TRP 12 -3.473 15.720 3.542 80 HZ3 TRP 12 3HZ TRP 12 -5.568 13.393 0.642 81 HH2 TRP 12 HH TRP 12 -4.056 15.227 1.207 82 H SER 13 H SER 13 -7.704 8.862 4.049 83 HA SER 13 HA SER 13 -8.426 6.540 5.471 84 1HB SER 13 2HB SER 13 -9.634 8.319 6.829 85 2HB SER 13 1HB SER 13 -10.623 8.621 5.401 86 HG SER 13 HG SER 13 -10.624 6.467 7.149 87 H GLY 14 H GLY 14 -9.721 5.167 4.239 88 1HA GLY 14 2HA GLY 14 -11.291 5.747 2.057 89 2HA GLY 14 1HA GLY 14 -9.651 5.626 1.427 90 H ASP 15 H ASP 15 -10.178 3.752 0.229 91 HA ASP 15 HA ASP 15 -11.240 1.428 1.503 92 1HB ASP 15 2HB ASP 15 -10.023 1.945 -1.177 93 2HB ASP 15 1HB ASP 15 -10.251 0.294 -0.637 94 H SER 16 H SER 16 -10.232 -0.349 2.210 95 HA SER 16 HA SER 16 -7.466 -0.039 3.002 96 1HB SER 16 2HB SER 16 -9.381 -2.313 3.569 97 2HB SER 16 1HB SER 16 -7.849 -2.001 4.382 98 HG SER 16 HG SER 16 -9.484 0.169 4.430 99 H CYS 17 H CYS 17 -5.859 -1.674 2.560 100 HA CYS 17 HA CYS 17 -5.849 -2.508 -0.152 101 1HB CYS 17 2HB CYS 17 -4.041 -3.501 2.064 102 2HB CYS 17 1HB CYS 17 -3.704 -3.501 0.338 103 H CYS 18 H CYS 18 -6.226 -4.508 -1.046 104 HA CYS 18 HA CYS 18 -7.962 -6.313 0.242 105 1HB CYS 18 2HB CYS 18 -6.212 -6.788 -2.185 106 2HB CYS 18 1HB CYS 18 -7.566 -7.790 -1.692 107 H LYS 19 H LYS 19 -7.607 -8.366 1.043 108 HA LYS 19 HA LYS 19 -5.066 -8.689 2.324 109 1HB LYS 19 2HB LYS 19 -6.044 -10.520 3.490 110 2HB LYS 19 1HB LYS 19 -7.238 -9.247 3.428 111 1HG LYS 19 2HG LYS 19 -7.218 -11.560 1.507 112 2HG LYS 19 1HG LYS 19 -8.073 -11.598 3.046 113 1HD LYS 19 2HD LYS 19 -9.457 -9.737 2.372 114 2HD LYS 19 1HD LYS 19 -8.533 -9.550 0.879 115 1HE LYS 19 2HE LYS 19 -10.648 -10.710 0.479 116 2HE LYS 19 1HE LYS 19 -9.267 -11.750 0.134 117 1HZ LYS 19 1HZ LYS 19 -9.814 -13.155 1.776 118 2HZ LYS 19 2HZ LYS 19 -11.354 -12.471 1.643 119 3HZ LYS 19 3HZ LYS 19 -10.289 -11.926 2.838 120 HA PRO 20 HA PRO 20 -3.950 -9.944 3.139 121 1HB PRO 20 2HB PRO 20 -1.714 -11.393 3.308 122 2HB PRO 20 1HB PRO 20 -3.304 -12.165 3.350 123 1HG PRO 20 2HG PRO 20 -1.276 -12.158 1.201 124 2HG PRO 20 1HG PRO 20 -2.575 -13.318 1.515 125 1HD PRO 20 2HD PRO 20 -2.552 -11.087 -0.338 126 2HD PRO 20 1HD PRO 20 -3.804 -12.328 -0.115 127 H TYR 21 H TYR 21 -3.287 -8.294 0.699 128 HA TYR 21 HA TYR 21 -0.492 -7.684 0.842 129 1HB TYR 21 2HB TYR 21 -2.668 -5.954 -0.369 130 2HB TYR 21 1HB TYR 21 -0.946 -5.912 -0.729 131 HD1 TYR 21 1HD TYR 21 -4.107 -7.445 -1.517 132 HD2 TYR 21 2HD TYR 21 0.105 -7.900 -1.879 133 HE1 TYR 21 1HE TYR 21 -4.445 -9.100 -3.302 134 HE2 TYR 21 2HE TYR 21 -0.220 -9.552 -3.671 135 HH TYR 21 HH TYR 21 -2.099 -10.056 -5.410 136 H LEU 22 H LEU 22 0.104 -5.249 1.108 137 HA LEU 22 HA LEU 22 -1.280 -3.948 3.311 138 1HB LEU 22 2HB LEU 22 0.197 -5.586 4.405 139 2HB LEU 22 1HB LEU 22 1.570 -4.928 3.539 140 HG LEU 22 HG LEU 22 1.177 -2.750 4.724 141 1HD1 LEU 22 1HD1 LEU 22 -0.622 -4.371 6.508 142 2HD1 LEU 22 2HD1 LEU 22 -1.219 -3.274 5.264 143 3HD1 LEU 22 3HD1 LEU 22 -0.263 -2.647 6.608 144 1HD2 LEU 22 1HD2 LEU 22 1.924 -3.735 6.996 145 2HD2 LEU 22 2HD2 LEU 22 2.945 -3.982 5.579 146 3HD2 LEU 22 3HD2 LEU 22 1.898 -5.281 6.148 147 H CYS 23 H CYS 23 -0.843 -1.730 3.383 148 HA CYS 23 HA CYS 23 0.403 -0.657 1.040 149 1HB CYS 23 2HB CYS 23 -1.612 0.373 2.146 150 2HB CYS 23 1HB CYS 23 -0.537 0.924 3.430 151 H SER 24 H SER 24 2.467 -0.542 0.816 152 HA SER 24 HA SER 24 4.179 -0.081 3.151 153 1HB SER 24 2HB SER 24 6.009 -0.853 1.640 154 2HB SER 24 1HB SER 24 4.735 -2.057 1.826 155 HG SER 24 HG SER 24 4.263 -0.345 -0.244 156 H CYS 25 H CYS 25 5.426 1.755 3.279 157 HA CYS 25 HA CYS 25 5.322 3.588 0.986 158 1HB CYS 25 2HB CYS 25 3.773 4.069 3.079 159 2HB CYS 25 1HB CYS 25 5.269 4.699 3.761 160 H ILE 26 H ILE 26 7.412 2.487 0.675 161 HA ILE 26 HA ILE 26 9.532 3.286 2.497 162 HB ILE 26 HB ILE 26 11.022 1.961 0.981 163 1HG1 ILE 26 2HG1 ILE 26 9.325 2.165 -0.980 164 2HG1 ILE 26 1HG1 ILE 26 10.232 0.672 -0.790 165 1HG2 ILE 26 1HG2 ILE 26 10.466 0.799 2.869 166 2HG2 ILE 26 2HG2 ILE 26 9.827 -0.276 1.625 167 3HG2 ILE 26 3HG2 ILE 26 8.741 0.804 2.499 168 1HD1 ILE 26 1HD1 ILE 26 7.373 1.162 0.014 169 2HD1 ILE 26 2HD1 ILE 26 8.269 -0.322 0.336 170 3HD1 ILE 26 3HD1 ILE 26 7.947 0.171 -1.326 171 H PHE 27 H PHE 27 11.652 3.593 0.813 172 HA PHE 27 HA PHE 27 11.313 6.306 -0.002 173 1HB PHE 27 2HB PHE 27 13.635 4.397 -0.213 174 2HB PHE 27 1HB PHE 27 13.718 6.073 -0.739 175 HD1 PHE 27 1HD PHE 27 14.796 7.464 0.707 176 HD2 PHE 27 2HD PHE 27 12.523 4.242 2.307 177 HE1 PHE 27 1HE PHE 27 15.433 8.150 2.981 178 HE2 PHE 27 2HE PHE 27 13.152 4.925 4.585 179 HZ PHE 27 HZ PHE 27 14.609 6.881 4.925 180 H PHE 28 H PHE 28 12.203 3.358 -1.784 181 HA PHE 28 HA PHE 28 12.174 4.623 -4.319 182 1HB PHE 28 2HB PHE 28 12.202 1.727 -3.490 183 2HB PHE 28 1HB PHE 28 12.189 2.220 -5.178 184 HD1 PHE 28 1HD PHE 28 14.061 3.225 -2.093 185 HD2 PHE 28 2HD PHE 28 14.225 2.107 -6.196 186 HE1 PHE 28 1HE PHE 28 16.509 3.455 -2.054 187 HE2 PHE 28 2HE PHE 28 16.673 2.333 -6.164 188 HZ PHE 28 HZ PHE 28 17.819 3.008 -4.090 189 H TYR 29 H TYR 29 9.706 3.138 -2.410 190 HA TYR 29 HA TYR 29 7.812 3.594 -4.615 191 1HB TYR 29 2HB TYR 29 7.841 1.256 -2.698 192 2HB TYR 29 1HB TYR 29 6.464 1.667 -3.710 193 HD1 TYR 29 1HD TYR 29 6.268 0.704 -5.796 194 HD2 TYR 29 2HD TYR 29 10.102 0.838 -3.961 195 HE1 TYR 29 1HE TYR 29 7.177 -0.684 -7.609 196 HE2 TYR 29 2HE TYR 29 11.025 -0.543 -5.775 197 HH TYR 29 HH TYR 29 10.557 -1.188 -8.021 198 HA PRO 30 HA PRO 30 5.888 6.171 -1.541 199 1HB PRO 30 2HB PRO 30 3.601 6.681 -2.926 200 2HB PRO 30 1HB PRO 30 5.140 7.472 -3.284 201 1HG PRO 30 2HG PRO 30 3.844 5.144 -4.647 202 2HG PRO 30 1HG PRO 30 4.678 6.537 -5.361 203 1HD PRO 30 2HD PRO 30 5.860 4.120 -5.088 204 2HD PRO 30 1HD PRO 30 6.768 5.641 -4.981 205 H CYS 31 H CYS 31 3.537 6.304 -0.619 206 HA CYS 31 HA CYS 31 2.959 3.923 0.707 207 1HB CYS 31 2HB CYS 31 1.224 6.352 0.227 208 2HB CYS 31 1HB CYS 31 0.787 5.044 1.314 209 H SER 32 H SER 32 2.644 2.181 -0.623 210 HA SER 32 HA SER 32 0.091 2.098 -2.038 211 1HB SER 32 2HB SER 32 1.322 0.893 -3.939 212 2HB SER 32 1HB SER 32 1.511 2.644 -3.845 213 HG SER 32 HG SER 32 3.499 2.268 -2.719 214 H CYS 33 H CYS 33 -0.875 0.111 -2.064 215 HA CYS 33 HA CYS 33 0.040 -1.786 -0.147 216 1HB CYS 33 2HB CYS 33 -2.084 -2.401 -2.182 217 2HB CYS 33 1HB CYS 33 -1.938 -2.972 -0.531 218 H ARG 34 H ARG 34 1.250 -3.460 -0.409 219 HA ARG 34 HA ARG 34 1.753 -4.603 -3.067 220 1HB ARG 34 2HB ARG 34 3.977 -4.074 -1.071 221 2HB ARG 34 1HB ARG 34 4.130 -4.600 -2.739 222 1HG ARG 34 2HG ARG 34 2.979 -1.921 -2.068 223 2HG ARG 34 1HG ARG 34 4.720 -2.178 -2.150 224 1HD ARG 34 2HD ARG 34 4.579 -2.837 -4.448 225 2HD ARG 34 1HD ARG 34 2.815 -2.841 -4.388 226 HE ARG 34 HE ARG 34 3.508 -0.291 -3.690 227 1HH1 ARG 34 1HH1 ARG 34 4.277 -2.322 -6.439 228 2HH1 ARG 34 2HH1 ARG 34 4.311 -1.003 -7.562 229 1HH2 ARG 34 1HH2 ARG 34 3.536 1.436 -5.146 230 2HH2 ARG 34 2HH2 ARG 34 3.882 1.150 -6.825 231 HA PRO 35 HA PRO 35 1.335 -8.529 -1.061 232 1HB PRO 35 2HB PRO 35 4.188 -9.162 -1.603 233 2HB PRO 35 1HB PRO 35 2.734 -10.084 -1.999 234 1HG PRO 35 2HG PRO 35 4.108 -8.696 -3.858 235 2HG PRO 35 1HG PRO 35 2.351 -8.909 -3.934 236 1HD PRO 35 2HD PRO 35 3.932 -6.500 -3.250 237 2HD PRO 35 1HD PRO 35 2.298 -6.631 -3.924 238 H LYS 36 H LYS 36 1.552 -9.264 1.026 239 HA LYS 36 HA LYS 36 3.109 -7.653 2.809 240 1HB LYS 36 2HB LYS 36 0.809 -8.583 3.293 241 2HB LYS 36 1HB LYS 36 1.565 -10.158 3.472 242 1HG LYS 36 2HG LYS 36 2.725 -9.505 5.402 243 2HG LYS 36 1HG LYS 36 2.429 -7.790 5.099 244 1HD LYS 36 2HD LYS 36 0.305 -9.836 5.752 245 2HD LYS 36 1HD LYS 36 0.998 -8.686 6.900 246 1HE LYS 36 2HE LYS 36 0.123 -6.829 5.665 247 2HE LYS 36 1HE LYS 36 -0.392 -7.881 4.349 248 1HZ LYS 36 1HZ LYS 36 -1.548 -7.633 7.058 249 2HZ LYS 36 2HZ LYS 36 -1.854 -8.982 6.084 250 3HZ LYS 36 3HZ LYS 36 -2.312 -7.440 5.560 251 H GLY 37 H GLY 37 5.110 -8.021 3.407 252 1HA GLY 37 2HA GLY 37 6.982 -9.238 4.103 253 2HA GLY 37 1HA GLY 37 6.148 -10.726 3.658 254 H TRP 38 H TRP 38 6.732 -7.822 1.768 255 HA TRP 38 HA TRP 38 7.643 -9.340 -0.482 256 1HB TRP 38 2HB TRP 38 7.597 -7.270 -1.669 257 2HB TRP 38 1HB TRP 38 6.213 -7.242 -0.585 258 HD1 TRP 38 HD TRP 38 9.358 -5.387 -1.434 259 HE1 TRP 38 1HE TRP 38 9.599 -3.316 0.065 260 HE3 TRP 38 3HE TRP 38 5.636 -6.372 1.929 261 HZ2 TRP 38 2HZ TRP 38 8.379 -2.239 2.369 262 HZ3 TRP 38 3HZ TRP 38 5.240 -4.773 3.752 263 HH2 TRP 38 HH TRP 38 6.584 -2.747 3.966 Start of MODEL 12 1 1H LYS 1 1HT LYS 1 -14.464 -0.977 0.833 2 2H LYS 1 2HT LYS 1 -15.143 -0.095 -0.438 3 3H LYS 1 3HT LYS 1 -13.667 0.396 0.242 4 HA LYS 1 HA LYS 1 -14.067 -2.174 -1.198 5 1HB LYS 1 2HB LYS 1 -12.652 0.341 -2.099 6 2HB LYS 1 1HB LYS 1 -12.866 -1.133 -3.029 7 1HG LYS 1 2HG LYS 1 -15.194 0.516 -2.106 8 2HG LYS 1 1HG LYS 1 -14.340 0.846 -3.614 9 1HD LYS 1 2HD LYS 1 -14.788 -1.518 -4.292 10 2HD LYS 1 1HD LYS 1 -15.796 -1.682 -2.852 11 1HE LYS 1 2HE LYS 1 -17.144 -1.184 -4.831 12 2HE LYS 1 1HE LYS 1 -17.241 0.115 -3.644 13 1HZ LYS 1 1HZ LYS 1 -16.974 1.122 -5.749 14 2HZ LYS 1 2HZ LYS 1 -15.701 0.094 -6.180 15 3HZ LYS 1 3HZ LYS 1 -15.472 1.264 -4.978 16 H CYS 2 H CYS 2 -11.462 -1.977 -2.237 17 HA CYS 2 HA CYS 2 -9.645 -1.594 -0.100 18 1HB CYS 2 2HB CYS 2 -8.825 -3.852 0.151 19 2HB CYS 2 1HB CYS 2 -10.525 -3.783 0.556 20 H LEU 3 H LEU 3 -7.510 -1.751 -0.697 21 HA LEU 3 HA LEU 3 -7.080 -1.219 -3.512 22 1HB LEU 3 2HB LEU 3 -5.198 -1.135 -1.158 23 2HB LEU 3 1HB LEU 3 -4.851 -0.531 -2.761 24 HG LEU 3 HG LEU 3 -6.973 0.542 -0.908 25 1HD1 LEU 3 1HD1 LEU 3 -4.939 1.234 -0.011 26 2HD1 LEU 3 2HD1 LEU 3 -5.443 2.585 -1.026 27 3HD1 LEU 3 3HD1 LEU 3 -4.209 1.464 -1.601 28 1HD2 LEU 3 1HD2 LEU 3 -7.600 0.761 -3.260 29 2HD2 LEU 3 2HD2 LEU 3 -6.054 1.537 -3.604 30 3HD2 LEU 3 3HD2 LEU 3 -7.224 2.330 -2.550 31 H ALA 4 H ALA 4 -6.429 -2.731 -4.910 32 HA ALA 4 HA ALA 4 -5.672 -5.343 -4.001 33 1HB ALA 4 1HB ALA 4 -5.250 -5.163 -6.772 34 2HB ALA 4 2HB ALA 4 -6.664 -4.174 -6.412 35 3HB ALA 4 3HB ALA 4 -6.628 -5.868 -5.926 36 H GLU 5 H GLU 5 -3.907 -6.125 -5.998 37 HA GLU 5 HA GLU 5 -1.441 -5.553 -4.800 38 1HB GLU 5 2HB GLU 5 -0.468 -6.783 -6.760 39 2HB GLU 5 1HB GLU 5 -1.701 -7.659 -5.870 40 1HG GLU 5 2HG GLU 5 -2.376 -6.117 -8.348 41 2HG GLU 5 1HG GLU 5 -1.722 -7.750 -8.433 42 H ALA 6 H ALA 6 -0.072 -4.016 -5.039 43 HA ALA 6 HA ALA 6 1.057 -2.199 -5.766 44 1HB ALA 6 1HB ALA 6 0.355 -3.533 -8.328 45 2HB ALA 6 2HB ALA 6 1.936 -3.184 -7.628 46 3HB ALA 6 3HB ALA 6 1.001 -1.893 -8.385 47 H ALA 7 H ALA 7 -1.415 -1.691 -4.753 48 HA ALA 7 HA ALA 7 -2.474 0.386 -6.563 49 1HB ALA 7 1HB ALA 7 -4.592 0.087 -5.709 50 2HB ALA 7 2HB ALA 7 -3.999 -0.571 -4.184 51 3HB ALA 7 3HB ALA 7 -3.956 -1.557 -5.647 52 H ASP 8 H ASP 8 -1.874 2.391 -6.064 53 HA ASP 8 HA ASP 8 -0.477 3.114 -3.780 54 1HB ASP 8 2HB ASP 8 -1.986 4.778 -5.781 55 2HB ASP 8 1HB ASP 8 -1.085 5.501 -4.450 56 H CYS 9 H CYS 9 -0.949 3.744 -1.830 57 HA CYS 9 HA CYS 9 -3.670 3.510 -0.908 58 1HB CYS 9 2HB CYS 9 -1.387 4.364 0.829 59 2HB CYS 9 1HB CYS 9 -2.775 3.357 1.229 60 H SER 10 H SER 10 -4.743 5.093 0.369 61 HA SER 10 HA SER 10 -4.458 7.753 -0.687 62 1HB SER 10 2HB SER 10 -6.312 6.797 1.502 63 2HB SER 10 1HB SER 10 -6.505 8.224 0.482 64 HG SER 10 HG SER 10 -6.261 6.201 -1.159 65 HA PRO 11 HA PRO 11 -1.635 9.148 2.430 66 1HB PRO 11 2HB PRO 11 -2.060 11.838 2.088 67 2HB PRO 11 1HB PRO 11 -1.029 10.851 1.045 68 1HG PRO 11 2HG PRO 11 -3.863 11.724 0.632 69 2HG PRO 11 1HG PRO 11 -2.530 11.671 -0.532 70 1HD PRO 11 2HD PRO 11 -4.422 9.777 -0.486 71 2HD PRO 11 1HD PRO 11 -2.728 9.387 -0.852 72 H TRP 12 H TRP 12 -4.652 11.093 2.353 73 HA TRP 12 HA TRP 12 -4.484 11.525 5.190 74 1HB TRP 12 2HB TRP 12 -6.687 12.234 3.243 75 2HB TRP 12 1HB TRP 12 -6.599 12.770 4.918 76 HD1 TRP 12 HD TRP 12 -4.561 14.503 5.521 77 HE1 TRP 12 1HE TRP 12 -3.406 16.268 4.046 78 HE3 TRP 12 3HE TRP 12 -5.982 12.775 0.923 79 HZ2 TRP 12 2HZ TRP 12 -3.142 16.857 1.298 80 HZ3 TRP 12 3HZ TRP 12 -5.241 14.001 -1.078 81 HH2 TRP 12 HH TRP 12 -3.850 16.000 -0.893 82 H SER 13 H SER 13 -6.801 9.867 3.060 83 HA SER 13 HA SER 13 -7.192 7.700 4.813 84 1HB SER 13 2HB SER 13 -9.642 8.262 5.347 85 2HB SER 13 1HB SER 13 -8.408 9.104 6.283 86 HG SER 13 HG SER 13 -8.736 10.923 5.068 87 H GLY 14 H GLY 14 -8.548 6.106 3.922 88 1HA GLY 14 2HA GLY 14 -10.286 6.461 1.756 89 2HA GLY 14 1HA GLY 14 -8.694 6.065 1.119 90 H ASP 15 H ASP 15 -9.428 4.073 0.303 91 HA ASP 15 HA ASP 15 -10.588 2.132 2.083 92 1HB ASP 15 2HB ASP 15 -9.780 2.098 -0.797 93 2HB ASP 15 1HB ASP 15 -10.085 0.584 0.037 94 H SER 16 H SER 16 -9.678 0.246 2.784 95 HA SER 16 HA SER 16 -6.838 0.374 3.303 96 1HB SER 16 2HB SER 16 -8.843 -1.732 4.145 97 2HB SER 16 1HB SER 16 -7.239 -1.466 4.831 98 HG SER 16 HG SER 16 -8.752 0.794 4.856 99 H CYS 17 H CYS 17 -5.407 -1.446 2.866 100 HA CYS 17 HA CYS 17 -5.568 -2.357 0.203 101 1HB CYS 17 2HB CYS 17 -3.882 -3.522 2.433 102 2HB CYS 17 1HB CYS 17 -3.584 -3.660 0.705 103 H CYS 18 H CYS 18 -6.160 -4.325 -0.663 104 HA CYS 18 HA CYS 18 -8.082 -5.911 0.681 105 1HB CYS 18 2HB CYS 18 -6.446 -6.641 -1.765 106 2HB CYS 18 1HB CYS 18 -7.933 -7.415 -1.246 107 H LYS 19 H LYS 19 -7.890 -8.004 1.491 108 HA LYS 19 HA LYS 19 -5.340 -8.515 2.691 109 1HB LYS 19 2HB LYS 19 -6.414 -10.270 3.898 110 2HB LYS 19 1HB LYS 19 -7.483 -8.893 3.896 111 1HG LYS 19 2HG LYS 19 -7.779 -11.179 1.969 112 2HG LYS 19 1HG LYS 19 -8.546 -11.162 3.556 113 1HD LYS 19 2HD LYS 19 -9.793 -9.174 2.972 114 2HD LYS 19 1HD LYS 19 -8.945 -9.057 1.429 115 1HE LYS 19 2HE LYS 19 -11.178 -10.020 1.155 116 2HE LYS 19 1HE LYS 19 -9.918 -11.169 0.713 117 1HZ LYS 19 1HZ LYS 19 -10.835 -11.268 3.472 118 2HZ LYS 19 2HZ LYS 19 -10.436 -12.529 2.417 119 3HZ LYS 19 3HZ LYS 19 -11.947 -11.777 2.303 120 HA PRO 20 HA PRO 20 -4.220 -9.731 3.423 121 1HB PRO 20 2HB PRO 20 -2.120 -11.374 3.540 122 2HB PRO 20 1HB PRO 20 -3.767 -11.999 3.692 123 1HG PRO 20 2HG PRO 20 -1.862 -12.272 1.455 124 2HG PRO 20 1HG PRO 20 -3.265 -13.272 1.862 125 1HD PRO 20 2HD PRO 20 -3.077 -11.074 -0.043 126 2HD PRO 20 1HD PRO 20 -4.418 -12.211 0.214 127 H TYR 21 H TYR 21 -3.607 -8.126 1.004 128 HA TYR 21 HA TYR 21 -0.763 -7.844 0.804 129 1HB TYR 21 2HB TYR 21 -2.898 -5.868 -0.074 130 2HB TYR 21 1HB TYR 21 -1.207 -5.859 -0.549 131 HD1 TYR 21 1HD TYR 21 -0.428 -7.172 -2.340 132 HD2 TYR 21 2HD TYR 21 -4.364 -7.780 -0.848 133 HE1 TYR 21 1HE TYR 21 -0.938 -8.594 -4.278 134 HE2 TYR 21 2HE TYR 21 -4.884 -9.206 -2.780 135 HH TYR 21 HH TYR 21 -3.604 -9.229 -5.443 136 H LEU 22 H LEU 22 0.049 -5.425 0.984 137 HA LEU 22 HA LEU 22 -0.813 -4.133 3.437 138 1HB LEU 22 2HB LEU 22 0.730 -5.875 4.219 139 2HB LEU 22 1HB LEU 22 1.959 -5.294 3.114 140 HG LEU 22 HG LEU 22 1.999 -3.139 4.362 141 1HD1 LEU 22 1HD1 LEU 22 0.096 -4.610 6.174 142 2HD1 LEU 22 2HD1 LEU 22 -0.185 -3.092 5.320 143 3HD1 LEU 22 3HD1 LEU 22 0.980 -3.157 6.642 144 1HD2 LEU 22 1HD2 LEU 22 2.491 -5.496 6.168 145 2HD2 LEU 22 2HD2 LEU 22 3.329 -3.944 6.156 146 3HD2 LEU 22 3HD2 LEU 22 3.541 -5.072 4.817 147 H CYS 23 H CYS 23 -0.342 -1.972 3.418 148 HA CYS 23 HA CYS 23 0.465 -0.827 0.946 149 1HB CYS 23 2HB CYS 23 -1.205 0.228 2.420 150 2HB CYS 23 1HB CYS 23 0.046 0.513 3.624 151 H SER 24 H SER 24 2.500 -0.778 0.280 152 HA SER 24 HA SER 24 4.666 -0.691 2.208 153 1HB SER 24 2HB SER 24 6.145 -0.882 0.217 154 2HB SER 24 1HB SER 24 4.941 -2.162 0.287 155 HG SER 24 HG SER 24 3.716 -0.489 -1.115 156 H CYS 25 H CYS 25 5.041 1.200 3.076 157 HA CYS 25 HA CYS 25 4.977 3.598 1.366 158 1HB CYS 25 2HB CYS 25 3.277 3.217 3.342 159 2HB CYS 25 1HB CYS 25 4.631 3.708 4.346 160 H ILE 26 H ILE 26 7.288 2.479 1.124 161 HA ILE 26 HA ILE 26 9.062 3.303 3.275 162 HB ILE 26 HB ILE 26 10.881 2.280 1.880 163 1HG1 ILE 26 2HG1 ILE 26 8.710 0.919 0.319 164 2HG1 ILE 26 1HG1 ILE 26 9.404 2.438 -0.258 165 1HG2 ILE 26 1HG2 ILE 26 8.757 1.009 3.351 166 2HG2 ILE 26 2HG2 ILE 26 10.486 0.662 3.345 167 3HG2 ILE 26 3HG2 ILE 26 9.432 -0.087 2.143 168 1HD1 ILE 26 1HD1 ILE 26 10.476 -0.251 -0.337 169 2HD1 ILE 26 2HD1 ILE 26 11.611 0.904 0.362 170 3HD1 ILE 26 3HD1 ILE 26 10.949 1.184 -1.248 171 H PHE 27 H PHE 27 11.344 3.982 2.033 172 HA PHE 27 HA PHE 27 10.944 6.709 1.510 173 1HB PHE 27 2HB PHE 27 13.389 4.989 1.111 174 2HB PHE 27 1HB PHE 27 13.384 6.742 0.999 175 HD1 PHE 27 1HD PHE 27 14.065 7.912 2.838 176 HD2 PHE 27 2HD PHE 27 12.311 4.075 3.396 177 HE1 PHE 27 1HE PHE 27 14.491 8.072 5.255 178 HE2 PHE 27 2HE PHE 27 12.729 4.231 5.814 179 HZ PHE 27 HZ PHE 27 13.821 6.231 6.747 180 H PHE 28 H PHE 28 12.875 4.747 -0.707 181 HA PHE 28 HA PHE 28 12.086 6.411 -2.893 182 1HB PHE 28 2HB PHE 28 13.619 4.731 -4.172 183 2HB PHE 28 1HB PHE 28 14.314 5.887 -3.043 184 HD1 PHE 28 1HD PHE 28 16.056 5.031 -1.856 185 HD2 PHE 28 2HD PHE 28 12.761 2.489 -2.746 186 HE1 PHE 28 1HE PHE 28 17.147 3.195 -0.637 187 HE2 PHE 28 2HE PHE 28 13.846 0.651 -1.527 188 HZ PHE 28 HZ PHE 28 16.042 1.002 -0.469 189 H TYR 29 H TYR 29 9.873 4.912 -1.917 190 HA TYR 29 HA TYR 29 9.047 3.752 -4.448 191 1HB TYR 29 2HB TYR 29 9.340 2.136 -1.965 192 2HB TYR 29 1HB TYR 29 7.893 1.873 -2.927 193 HD1 TYR 29 1HD TYR 29 7.974 0.668 -4.960 194 HD2 TYR 29 2HD TYR 29 11.593 1.703 -2.978 195 HE1 TYR 29 1HE TYR 29 9.212 -0.863 -6.431 196 HE2 TYR 29 2HE TYR 29 12.841 0.181 -4.449 197 HH TYR 29 HH TYR 29 12.696 -0.975 -6.455 198 HA PRO 30 HA PRO 30 5.482 6.140 -3.362 199 1HB PRO 30 2HB PRO 30 4.078 4.389 -5.287 200 2HB PRO 30 1HB PRO 30 4.262 6.144 -5.297 201 1HG PRO 30 2HG PRO 30 5.592 4.589 -7.027 202 2HG PRO 30 1HG PRO 30 6.318 6.056 -6.346 203 1HD PRO 30 2HD PRO 30 6.788 3.194 -5.619 204 2HD PRO 30 1HD PRO 30 7.946 4.536 -5.725 205 H CYS 31 H CYS 31 4.102 5.855 -1.735 206 HA CYS 31 HA CYS 31 3.776 3.392 -0.455 207 1HB CYS 31 2HB CYS 31 2.118 5.901 -0.173 208 2HB CYS 31 1HB CYS 31 2.141 4.549 0.959 209 H SER 32 H SER 32 2.922 1.783 -1.540 210 HA SER 32 HA SER 32 0.109 1.970 -2.269 211 1HB SER 32 2HB SER 32 0.742 0.651 -4.411 212 2HB SER 32 1HB SER 32 1.043 2.389 -4.395 213 HG SER 32 HG SER 32 3.218 1.922 -3.816 214 H CYS 33 H CYS 33 -0.980 -0.033 -2.200 215 HA CYS 33 HA CYS 33 0.108 -1.909 -0.380 216 1HB CYS 33 2HB CYS 33 -2.259 -2.427 -2.174 217 2HB CYS 33 1HB CYS 33 -1.910 -3.130 -0.608 218 H ARG 34 H ARG 34 1.250 -3.611 -0.668 219 HA ARG 34 HA ARG 34 1.513 -4.860 -3.323 220 1HB ARG 34 2HB ARG 34 3.788 -4.402 -1.368 221 2HB ARG 34 1HB ARG 34 3.916 -5.089 -2.970 222 1HG ARG 34 2HG ARG 34 3.133 -2.259 -2.370 223 2HG ARG 34 1HG ARG 34 4.744 -2.795 -2.840 224 1HD ARG 34 2HD ARG 34 3.867 -3.585 -4.973 225 2HD ARG 34 1HD ARG 34 2.242 -3.085 -4.499 226 HE ARG 34 HE ARG 34 2.779 -0.931 -5.038 227 1HH1 ARG 34 1HH1 ARG 34 5.756 -2.766 -4.781 228 2HH1 ARG 34 2HH1 ARG 34 6.760 -1.447 -5.277 229 1HH2 ARG 34 1HH2 ARG 34 4.087 0.805 -5.678 230 2HH2 ARG 34 2HH2 ARG 34 5.805 0.597 -5.794 231 HA PRO 35 HA PRO 35 0.920 -8.688 -1.157 232 1HB PRO 35 2HB PRO 35 3.310 -10.084 -1.588 233 2HB PRO 35 1HB PRO 35 1.876 -10.138 -2.614 234 1HG PRO 35 2HG PRO 35 4.401 -8.626 -2.970 235 2HG PRO 35 1HG PRO 35 3.292 -9.273 -4.190 236 1HD PRO 35 2HD PRO 35 3.448 -6.642 -3.578 237 2HD PRO 35 1HD PRO 35 1.956 -7.398 -4.139 238 H LYS 36 H LYS 36 1.389 -9.647 0.864 239 HA LYS 36 HA LYS 36 2.944 -7.964 2.575 240 1HB LYS 36 2HB LYS 36 0.759 -9.085 3.180 241 2HB LYS 36 1HB LYS 36 1.652 -10.594 3.287 242 1HG LYS 36 2HG LYS 36 2.730 -9.985 5.212 243 2HG LYS 36 1HG LYS 36 2.603 -8.257 4.866 244 1HD LYS 36 2HD LYS 36 0.286 -10.047 5.608 245 2HD LYS 36 1HD LYS 36 1.136 -8.978 6.728 246 1HE LYS 36 2HE LYS 36 0.447 -7.041 5.516 247 2HE LYS 36 1HE LYS 36 -0.191 -8.021 4.199 248 1HZ LYS 36 1HZ LYS 36 -1.319 -7.550 6.873 249 2HZ LYS 36 2HZ LYS 36 -1.706 -8.972 6.041 250 3HZ LYS 36 3HZ LYS 36 -2.072 -7.466 5.358 251 H GLY 37 H GLY 37 5.028 -8.127 2.865 252 1HA GLY 37 2HA GLY 37 6.949 -9.331 3.631 253 2HA GLY 37 1HA GLY 37 6.290 -10.780 2.878 254 H TRP 38 H TRP 38 6.757 -7.496 1.621 255 HA TRP 38 HA TRP 38 8.080 -8.622 -0.716 256 1HB TRP 38 2HB TRP 38 7.514 -6.670 -1.870 257 2HB TRP 38 1HB TRP 38 6.149 -6.880 -0.785 258 HD1 TRP 38 HD TRP 38 6.752 -5.401 1.747 259 HE1 TRP 38 1HE TRP 38 7.388 -2.921 1.843 260 HE3 TRP 38 3HE TRP 38 8.351 -4.785 -3.061 261 HZ2 TRP 38 2HZ TRP 38 8.418 -0.949 0.108 262 HZ3 TRP 38 3HZ TRP 38 9.143 -2.569 -3.768 263 HH2 TRP 38 HH TRP 38 9.173 -0.690 -2.213 Start of MODEL 13 1 1H LYS 1 1HT LYS 1 -15.739 -3.102 -1.097 2 2H LYS 1 2HT LYS 1 -14.485 -3.564 -0.059 3 3H LYS 1 3HT LYS 1 -14.815 -4.477 -1.444 4 HA LYS 1 HA LYS 1 -13.708 -3.109 -2.806 5 1HB LYS 1 2HB LYS 1 -15.312 -1.311 -2.533 6 2HB LYS 1 1HB LYS 1 -14.656 -0.910 -0.954 7 1HG LYS 1 2HG LYS 1 -13.892 0.731 -2.491 8 2HG LYS 1 1HG LYS 1 -12.518 -0.289 -2.075 9 1HD LYS 1 2HD LYS 1 -12.747 -1.501 -4.163 10 2HD LYS 1 1HD LYS 1 -14.193 -0.575 -4.569 11 1HE LYS 1 2HE LYS 1 -12.370 0.370 -5.786 12 2HE LYS 1 1HE LYS 1 -12.795 1.494 -4.499 13 1HZ LYS 1 1HZ LYS 1 -10.429 -0.262 -4.703 14 2HZ LYS 1 2HZ LYS 1 -10.936 0.322 -3.195 15 3HZ LYS 1 3HZ LYS 1 -10.496 1.404 -4.420 16 H CYS 2 H CYS 2 -11.532 -2.898 -2.844 17 HA CYS 2 HA CYS 2 -10.032 -1.927 -0.632 18 1HB CYS 2 2HB CYS 2 -8.731 -4.026 -0.258 19 2HB CYS 2 1HB CYS 2 -10.399 -4.131 0.284 20 H LEU 3 H LEU 3 -7.759 -1.882 -1.084 21 HA LEU 3 HA LEU 3 -7.276 -1.239 -3.842 22 1HB LEU 3 2HB LEU 3 -5.452 -1.202 -1.438 23 2HB LEU 3 1HB LEU 3 -5.104 -0.482 -2.990 24 HG LEU 3 HG LEU 3 -7.361 0.357 -1.188 25 1HD1 LEU 3 1HD1 LEU 3 -4.753 0.818 -0.700 26 2HD1 LEU 3 2HD1 LEU 3 -6.050 1.932 -0.265 27 3HD1 LEU 3 3HD1 LEU 3 -5.128 2.186 -1.748 28 1HD2 LEU 3 1HD2 LEU 3 -7.648 0.673 -3.680 29 2HD2 LEU 3 2HD2 LEU 3 -6.274 1.777 -3.611 30 3HD2 LEU 3 3HD2 LEU 3 -7.742 2.137 -2.703 31 H ALA 4 H ALA 4 -6.168 -2.435 -5.314 32 HA ALA 4 HA ALA 4 -5.593 -5.170 -4.674 33 1HB ALA 4 1HB ALA 4 -6.534 -4.166 -6.869 34 2HB ALA 4 2HB ALA 4 -5.422 -5.533 -6.948 35 3HB ALA 4 3HB ALA 4 -4.837 -3.900 -7.271 36 H GLU 5 H GLU 5 -3.443 -5.817 -6.212 37 HA GLU 5 HA GLU 5 -1.286 -5.144 -4.494 38 1HB GLU 5 2HB GLU 5 0.038 -6.535 -6.173 39 2HB GLU 5 1HB GLU 5 -1.251 -7.342 -5.292 40 1HG GLU 5 2HG GLU 5 -2.721 -6.911 -7.295 41 2HG GLU 5 1HG GLU 5 -1.256 -6.425 -8.149 42 H ALA 6 H ALA 6 0.255 -3.762 -4.705 43 HA ALA 6 HA ALA 6 1.521 -2.029 -5.395 44 1HB ALA 6 1HB ALA 6 1.170 -3.615 -7.817 45 2HB ALA 6 2HB ALA 6 2.613 -2.826 -7.179 46 3HB ALA 6 3HB ALA 6 1.457 -1.906 -8.143 47 H ALA 7 H ALA 7 -1.144 -1.595 -4.721 48 HA ALA 7 HA ALA 7 -1.940 0.551 -6.589 49 1HB ALA 7 1HB ALA 7 -4.052 0.233 -4.849 50 2HB ALA 7 2HB ALA 7 -3.457 -1.413 -5.070 51 3HB ALA 7 3HB ALA 7 -3.931 -0.452 -6.470 52 H ASP 8 H ASP 8 -1.958 2.633 -5.906 53 HA ASP 8 HA ASP 8 -0.553 3.378 -3.614 54 1HB ASP 8 2HB ASP 8 -1.238 5.657 -4.096 55 2HB ASP 8 1HB ASP 8 -0.819 4.828 -5.591 56 H CYS 9 H CYS 9 -1.141 4.208 -1.639 57 HA CYS 9 HA CYS 9 -3.960 3.921 -0.879 58 1HB CYS 9 2HB CYS 9 -2.729 3.243 1.442 59 2HB CYS 9 1HB CYS 9 -3.358 2.088 0.279 60 H SER 10 H SER 10 -4.726 5.337 0.581 61 HA SER 10 HA SER 10 -3.248 7.788 0.849 62 1HB SER 10 2HB SER 10 -5.943 7.110 2.029 63 2HB SER 10 1HB SER 10 -5.291 8.713 1.686 64 HG SER 10 HG SER 10 -5.169 7.439 -0.583 65 HA PRO 11 HA PRO 11 -1.405 6.729 4.748 66 1HB PRO 11 2HB PRO 11 -0.532 9.223 5.384 67 2HB PRO 11 1HB PRO 11 0.252 8.206 4.170 68 1HG PRO 11 2HG PRO 11 -1.754 10.403 3.781 69 2HG PRO 11 1HG PRO 11 -0.235 10.124 2.919 70 1HD PRO 11 2HD PRO 11 -2.569 9.393 1.857 71 2HD PRO 11 1HD PRO 11 -1.118 8.385 1.659 72 H TRP 12 H TRP 12 -3.438 9.665 4.620 73 HA TRP 12 HA TRP 12 -3.914 9.597 7.447 74 1HB TRP 12 2HB TRP 12 -5.230 11.241 5.277 75 2HB TRP 12 1HB TRP 12 -5.473 11.472 7.005 76 HD1 TRP 12 HD TRP 12 -3.296 12.356 8.416 77 HE1 TRP 12 1HE TRP 12 -1.354 13.869 7.669 78 HE3 TRP 12 3HE TRP 12 -3.786 11.866 3.351 79 HZ2 TRP 12 2HZ TRP 12 -0.191 14.750 5.253 80 HZ3 TRP 12 3HZ TRP 12 -2.224 13.085 1.893 81 HH2 TRP 12 HH TRP 12 -0.464 14.496 2.826 82 H SER 13 H SER 13 -5.829 8.883 4.557 83 HA SER 13 HA SER 13 -7.326 6.851 5.811 84 1HB SER 13 2HB SER 13 -8.306 8.911 6.939 85 2HB SER 13 1HB SER 13 -8.934 9.374 5.359 86 HG SER 13 HG SER 13 -9.784 7.416 7.098 87 H GLY 14 H GLY 14 -8.384 5.646 4.306 88 1HA GLY 14 2HA GLY 14 -9.427 6.598 1.876 89 2HA GLY 14 1HA GLY 14 -7.802 5.985 1.595 90 H ASP 15 H ASP 15 -8.472 4.236 0.355 91 HA ASP 15 HA ASP 15 -10.405 2.366 1.405 92 1HB ASP 15 2HB ASP 15 -10.040 2.852 -1.078 93 2HB ASP 15 1HB ASP 15 -8.580 1.898 -0.951 94 H SER 16 H SER 16 -9.960 0.199 1.922 95 HA SER 16 HA SER 16 -7.404 -0.126 3.259 96 1HB SER 16 2HB SER 16 -9.667 -2.111 3.120 97 2HB SER 16 1HB SER 16 -8.365 -2.058 4.300 98 HG SER 16 HG SER 16 -9.983 0.199 4.068 99 H CYS 17 H CYS 17 -5.895 -1.700 2.737 100 HA CYS 17 HA CYS 17 -5.756 -2.421 -0.026 101 1HB CYS 17 2HB CYS 17 -4.064 -3.467 2.262 102 2HB CYS 17 1HB CYS 17 -3.664 -3.518 0.552 103 H CYS 18 H CYS 18 -6.101 -4.421 -0.968 104 HA CYS 18 HA CYS 18 -7.901 -6.221 0.283 105 1HB CYS 18 2HB CYS 18 -6.155 -6.638 -2.164 106 2HB CYS 18 1HB CYS 18 -7.470 -7.694 -1.670 107 H LYS 19 H LYS 19 -7.537 -8.188 1.212 108 HA LYS 19 HA LYS 19 -4.944 -8.508 2.383 109 1HB LYS 19 2HB LYS 19 -5.999 -10.499 3.483 110 2HB LYS 19 1HB LYS 19 -6.790 -8.974 3.810 111 1HG LYS 19 2HG LYS 19 -7.813 -10.647 1.576 112 2HG LYS 19 1HG LYS 19 -8.153 -11.149 3.233 113 1HD LYS 19 2HD LYS 19 -8.788 -8.439 2.061 114 2HD LYS 19 1HD LYS 19 -9.949 -9.747 2.292 115 1HE LYS 19 2HE LYS 19 -9.556 -9.676 4.704 116 2HE LYS 19 1HE LYS 19 -8.373 -8.388 4.480 117 1HZ LYS 19 1HZ LYS 19 -9.973 -6.850 4.199 118 2HZ LYS 19 2HZ LYS 19 -10.934 -7.953 5.047 119 3HZ LYS 19 3HZ LYS 19 -11.006 -7.895 3.359 120 HA PRO 20 HA PRO 20 -3.756 -9.762 3.198 121 1HB PRO 20 2HB PRO 20 -1.542 -11.241 3.269 122 2HB PRO 20 1HB PRO 20 -3.135 -11.980 3.458 123 1HG PRO 20 2HG PRO 20 -1.273 -12.095 1.168 124 2HG PRO 20 1HG PRO 20 -2.552 -13.226 1.632 125 1HD PRO 20 2HD PRO 20 -2.653 -11.093 -0.323 126 2HD PRO 20 1HD PRO 20 -3.900 -12.295 0.066 127 H TYR 21 H TYR 21 -3.358 -8.025 0.914 128 HA TYR 21 HA TYR 21 -0.497 -7.488 0.842 129 1HB TYR 21 2HB TYR 21 -2.721 -5.909 -0.488 130 2HB TYR 21 1HB TYR 21 -0.996 -5.804 -0.819 131 HD1 TYR 21 1HD TYR 21 -3.968 -7.989 -1.154 132 HD2 TYR 21 2HD TYR 21 0.073 -7.320 -2.293 133 HE1 TYR 21 1HE TYR 21 -4.171 -9.731 -2.878 134 HE2 TYR 21 2HE TYR 21 -0.118 -9.055 -4.021 135 HH TYR 21 HH TYR 21 -2.060 -10.089 -5.396 136 H LEU 22 H LEU 22 0.476 -5.618 1.551 137 HA LEU 22 HA LEU 22 -1.070 -4.047 3.510 138 1HB LEU 22 2HB LEU 22 0.482 -5.589 4.590 139 2HB LEU 22 1HB LEU 22 1.802 -4.967 3.622 140 HG LEU 22 HG LEU 22 1.493 -2.749 4.745 141 1HD1 LEU 22 1HD1 LEU 22 -0.228 -4.255 6.696 142 2HD1 LEU 22 2HD1 LEU 22 -0.888 -3.240 5.413 143 3HD1 LEU 22 3HD1 LEU 22 0.131 -2.528 6.664 144 1HD2 LEU 22 1HD2 LEU 22 2.372 -5.244 6.067 145 2HD2 LEU 22 2HD2 LEU 22 2.202 -3.816 7.089 146 3HD2 LEU 22 3HD2 LEU 22 3.276 -3.777 5.689 147 H CYS 23 H CYS 23 -0.702 -1.838 3.581 148 HA CYS 23 HA CYS 23 0.210 -0.597 1.198 149 1HB CYS 23 2HB CYS 23 -1.563 0.361 2.631 150 2HB CYS 23 1HB CYS 23 -0.378 0.642 3.899 151 H SER 24 H SER 24 2.259 -0.412 0.639 152 HA SER 24 HA SER 24 4.325 -0.322 2.700 153 1HB SER 24 2HB SER 24 5.878 -0.877 0.899 154 2HB SER 24 1HB SER 24 4.504 -1.969 0.837 155 HG SER 24 HG SER 24 3.647 -0.371 -0.755 156 H CYS 25 H CYS 25 5.335 1.524 3.212 157 HA CYS 25 HA CYS 25 5.124 3.786 1.338 158 1HB CYS 25 2HB CYS 25 5.057 3.890 4.362 159 2HB CYS 25 1HB CYS 25 5.079 5.293 3.303 160 H ILE 26 H ILE 26 7.223 2.422 0.812 161 HA ILE 26 HA ILE 26 9.452 3.113 2.523 162 HB ILE 26 HB ILE 26 10.864 1.951 0.838 163 1HG1 ILE 26 2HG1 ILE 26 9.135 2.385 -1.049 164 2HG1 ILE 26 1HG1 ILE 26 10.020 0.868 -1.048 165 1HG2 ILE 26 1HG2 ILE 26 10.138 -0.282 1.429 166 2HG2 ILE 26 2HG2 ILE 26 8.542 0.329 1.865 167 3HG2 ILE 26 3HG2 ILE 26 9.957 0.808 2.804 168 1HD1 ILE 26 1HD1 ILE 26 7.314 1.061 0.211 169 2HD1 ILE 26 2HD1 ILE 26 8.154 -0.356 -0.419 170 3HD1 ILE 26 3HD1 ILE 26 7.498 0.845 -1.530 171 H PHE 27 H PHE 27 11.506 3.693 0.953 172 HA PHE 27 HA PHE 27 10.965 6.417 0.198 173 1HB PHE 27 2HB PHE 27 13.492 4.772 0.169 174 2HB PHE 27 1HB PHE 27 13.433 6.476 -0.263 175 HD1 PHE 27 1HD PHE 27 14.077 7.956 1.349 176 HD2 PHE 27 2HD PHE 27 12.304 4.279 2.557 177 HE1 PHE 27 1HE PHE 27 14.412 8.573 3.705 178 HE2 PHE 27 2HE PHE 27 12.633 4.894 4.916 179 HZ PHE 27 HZ PHE 27 13.688 7.042 5.493 180 H PHE 28 H PHE 28 12.177 3.527 -1.450 181 HA PHE 28 HA PHE 28 12.478 4.697 -3.987 182 1HB PHE 28 2HB PHE 28 12.140 1.824 -3.133 183 2HB PHE 28 1HB PHE 28 12.429 2.293 -4.802 184 HD1 PHE 28 1HD PHE 28 13.896 3.133 -1.459 185 HD2 PHE 28 2HD PHE 28 14.575 2.006 -5.507 186 HE1 PHE 28 1HE PHE 28 16.322 3.131 -1.048 187 HE2 PHE 28 2HE PHE 28 17.002 2.001 -5.101 188 HZ PHE 28 HZ PHE 28 17.878 2.563 -2.870 189 H TYR 29 H TYR 29 9.710 3.473 -2.337 190 HA TYR 29 HA TYR 29 8.055 4.200 -4.636 191 1HB TYR 29 2HB TYR 29 7.811 1.565 -3.164 192 2HB TYR 29 1HB TYR 29 6.624 2.187 -4.303 193 HD1 TYR 29 1HD TYR 29 7.023 2.114 -6.677 194 HD2 TYR 29 2HD TYR 29 9.982 0.738 -3.948 195 HE1 TYR 29 1HE TYR 29 8.208 1.013 -8.527 196 HE2 TYR 29 2HE TYR 29 11.179 -0.362 -5.792 197 HH TYR 29 HH TYR 29 11.186 0.174 -8.564 198 HA PRO 30 HA PRO 30 5.902 6.263 -1.345 199 1HB PRO 30 2HB PRO 30 3.682 6.938 -2.789 200 2HB PRO 30 1HB PRO 30 5.213 7.816 -2.880 201 1HG PRO 30 2HG PRO 30 4.113 5.731 -4.721 202 2HG PRO 30 1HG PRO 30 4.959 7.239 -5.115 203 1HD PRO 30 2HD PRO 30 6.194 4.842 -5.169 204 2HD PRO 30 1HD PRO 30 7.039 6.327 -4.691 205 H CYS 31 H CYS 31 3.635 6.225 -0.410 206 HA CYS 31 HA CYS 31 3.002 3.728 0.520 207 1HB CYS 31 2HB CYS 31 1.254 6.173 0.272 208 2HB CYS 31 1HB CYS 31 0.767 4.722 1.142 209 H SER 32 H SER 32 2.526 2.043 -0.609 210 HA SER 32 HA SER 32 0.146 2.003 -2.261 211 1HB SER 32 2HB SER 32 1.521 0.762 -4.079 212 2HB SER 32 1HB SER 32 1.615 2.523 -4.022 213 HG SER 32 HG SER 32 3.551 2.226 -2.723 214 H CYS 33 H CYS 33 -0.909 0.115 -1.979 215 HA CYS 33 HA CYS 33 0.012 -1.781 -0.105 216 1HB CYS 33 2HB CYS 33 -2.177 -2.290 -2.120 217 2HB CYS 33 1HB CYS 33 -2.001 -2.973 -0.514 218 H ARG 34 H ARG 34 1.215 -3.496 -0.337 219 HA ARG 34 HA ARG 34 1.555 -4.767 -2.962 220 1HB ARG 34 2HB ARG 34 3.884 -4.149 -1.114 221 2HB ARG 34 1HB ARG 34 3.957 -4.870 -2.715 222 1HG ARG 34 2HG ARG 34 3.100 -2.746 -3.650 223 2HG ARG 34 1HG ARG 34 3.191 -2.044 -2.042 224 1HD ARG 34 2HD ARG 34 5.590 -2.425 -1.994 225 2HD ARG 34 1HD ARG 34 5.514 -3.193 -3.583 226 HE ARG 34 HE ARG 34 5.411 -0.368 -2.995 227 1HH1 ARG 34 1HH1 ARG 34 4.831 -2.868 -5.370 228 2HH1 ARG 34 2HH1 ARG 34 4.653 -1.761 -6.692 229 1HH2 ARG 34 1HH2 ARG 34 5.145 1.105 -4.723 230 2HH2 ARG 34 2HH2 ARG 34 4.834 0.509 -6.321 231 HA PRO 35 HA PRO 35 1.134 -8.642 -0.888 232 1HB PRO 35 2HB PRO 35 3.950 -9.327 -1.563 233 2HB PRO 35 1HB PRO 35 2.468 -10.241 -1.856 234 1HG PRO 35 2HG PRO 35 3.735 -8.914 -3.823 235 2HG PRO 35 1HG PRO 35 1.973 -9.087 -3.780 236 1HD PRO 35 2HD PRO 35 3.648 -6.706 -3.244 237 2HD PRO 35 1HD PRO 35 1.972 -6.807 -3.812 238 H LYS 36 H LYS 36 1.465 -9.432 1.174 239 HA LYS 36 HA LYS 36 3.079 -7.816 2.899 240 1HB LYS 36 2HB LYS 36 0.885 -8.707 3.599 241 2HB LYS 36 1HB LYS 36 1.526 -10.341 3.500 242 1HG LYS 36 2HG LYS 36 3.129 -9.816 5.276 243 2HG LYS 36 1HG LYS 36 2.460 -8.186 5.384 244 1HD LYS 36 2HD LYS 36 0.284 -9.112 5.996 245 2HD LYS 36 1HD LYS 36 0.936 -10.746 5.862 246 1HE LYS 36 2HE LYS 36 2.528 -10.248 7.658 247 2HE LYS 36 1HE LYS 36 1.854 -8.625 7.800 248 1HZ LYS 36 1HZ LYS 36 0.597 -9.600 9.366 249 2HZ LYS 36 2HZ LYS 36 0.795 -11.157 8.734 250 3HZ LYS 36 3HZ LYS 36 -0.343 -10.107 8.053 251 H GLY 37 H GLY 37 5.152 -8.122 3.258 252 1HA GLY 37 2HA GLY 37 7.096 -9.289 3.834 253 2HA GLY 37 1HA GLY 37 6.258 -10.801 3.500 254 H TRP 38 H TRP 38 6.669 -7.931 1.497 255 HA TRP 38 HA TRP 38 7.407 -9.509 -0.778 256 1HB TRP 38 2HB TRP 38 7.286 -7.463 -2.015 257 2HB TRP 38 1HB TRP 38 5.965 -7.430 -0.854 258 HD1 TRP 38 HD TRP 38 9.186 -5.662 -1.777 259 HE1 TRP 38 1HE TRP 38 9.416 -3.512 -0.391 260 HE3 TRP 38 3HE TRP 38 5.296 -6.360 1.466 261 HZ2 TRP 38 2HZ TRP 38 8.122 -2.270 1.787 262 HZ3 TRP 38 3HZ TRP 38 4.861 -4.645 3.170 263 HH2 TRP 38 HH TRP 38 6.245 -2.641 3.327 Start of MODEL 14 1 1H LYS 1 1HT LYS 1 -13.731 0.033 1.176 2 2H LYS 1 2HT LYS 1 -14.562 0.801 -0.080 3 3H LYS 1 3HT LYS 1 -12.934 1.184 0.219 4 HA LYS 1 HA LYS 1 -13.874 -1.510 -0.614 5 1HB LYS 1 2HB LYS 1 -14.332 0.180 -2.346 6 2HB LYS 1 1HB LYS 1 -12.692 0.791 -2.210 7 1HG LYS 1 2HG LYS 1 -11.858 -1.383 -3.041 8 2HG LYS 1 1HG LYS 1 -13.528 -1.906 -3.264 9 1HD LYS 1 2HD LYS 1 -12.492 -1.100 -5.351 10 2HD LYS 1 1HD LYS 1 -13.894 -0.139 -4.879 11 1HE LYS 1 2HE LYS 1 -11.941 1.193 -5.692 12 2HE LYS 1 1HE LYS 1 -12.508 1.629 -4.082 13 1HZ LYS 1 1HZ LYS 1 -9.937 0.997 -4.794 14 2HZ LYS 1 2HZ LYS 1 -10.479 -0.372 -3.963 15 3HZ LYS 1 3HZ LYS 1 -10.541 1.155 -3.217 16 H CYS 2 H CYS 2 -11.732 -2.541 -1.731 17 HA CYS 2 HA CYS 2 -9.544 -1.831 0.078 18 1HB CYS 2 2HB CYS 2 -8.767 -4.084 0.115 19 2HB CYS 2 1HB CYS 2 -10.474 -4.097 0.499 20 H LEU 3 H LEU 3 -7.414 -2.163 -0.687 21 HA LEU 3 HA LEU 3 -7.160 -1.319 -3.477 22 1HB LEU 3 2HB LEU 3 -5.243 -1.205 -1.151 23 2HB LEU 3 1HB LEU 3 -4.917 -0.578 -2.749 24 HG LEU 3 HG LEU 3 -7.106 0.399 -0.925 25 1HD1 LEU 3 1HD1 LEU 3 -5.190 2.395 -1.490 26 2HD1 LEU 3 2HD1 LEU 3 -4.321 0.961 -0.940 27 3HD1 LEU 3 3HD1 LEU 3 -5.589 1.664 0.065 28 1HD2 LEU 3 1HD2 LEU 3 -7.922 1.548 -2.643 29 2HD2 LEU 3 2HD2 LEU 3 -6.854 0.622 -3.697 30 3HD2 LEU 3 3HD2 LEU 3 -6.325 2.176 -3.053 31 H ALA 4 H ALA 4 -6.214 -2.598 -4.984 32 HA ALA 4 HA ALA 4 -5.484 -5.275 -4.255 33 1HB ALA 4 1HB ALA 4 -6.703 -4.671 -6.348 34 2HB ALA 4 2HB ALA 4 -5.288 -5.695 -6.596 35 3HB ALA 4 3HB ALA 4 -5.202 -3.970 -6.954 36 H GLU 5 H GLU 5 -3.452 -5.888 -6.009 37 HA GLU 5 HA GLU 5 -1.190 -5.118 -4.489 38 1HB GLU 5 2HB GLU 5 0.063 -6.457 -6.219 39 2HB GLU 5 1HB GLU 5 -1.193 -7.318 -5.343 40 1HG GLU 5 2HG GLU 5 -2.692 -6.733 -7.349 41 2HG GLU 5 1HG GLU 5 -1.176 -6.394 -8.185 42 H ALA 6 H ALA 6 0.243 -3.638 -4.793 43 HA ALA 6 HA ALA 6 1.387 -1.855 -5.588 44 1HB ALA 6 1HB ALA 6 1.084 -1.669 -8.294 45 2HB ALA 6 2HB ALA 6 0.802 -3.388 -8.018 46 3HB ALA 6 3HB ALA 6 2.307 -2.644 -7.478 47 H ALA 7 H ALA 7 -1.230 -1.530 -4.645 48 HA ALA 7 HA ALA 7 -2.308 0.548 -6.435 49 1HB ALA 7 1HB ALA 7 -4.219 0.271 -4.535 50 2HB ALA 7 2HB ALA 7 -3.543 -1.357 -4.577 51 3HB ALA 7 3HB ALA 7 -4.180 -0.628 -6.051 52 H ASP 8 H ASP 8 -2.127 2.620 -5.915 53 HA ASP 8 HA ASP 8 -0.594 3.624 -3.849 54 1HB ASP 8 2HB ASP 8 -1.195 4.938 -5.825 55 2HB ASP 8 1HB ASP 8 -2.877 4.982 -5.305 56 H CYS 9 H CYS 9 -0.950 4.250 -1.752 57 HA CYS 9 HA CYS 9 -3.712 4.045 -0.783 58 1HB CYS 9 2HB CYS 9 -2.601 3.190 1.412 59 2HB CYS 9 1HB CYS 9 -2.959 2.083 0.101 60 H SER 10 H SER 10 -4.356 5.360 0.753 61 HA SER 10 HA SER 10 -2.864 7.798 1.082 62 1HB SER 10 2HB SER 10 -5.514 7.031 2.319 63 2HB SER 10 1HB SER 10 -4.870 8.660 2.096 64 HG SER 10 HG SER 10 -4.816 7.636 -0.278 65 HA PRO 11 HA PRO 11 -0.868 6.540 4.838 66 1HB PRO 11 2HB PRO 11 0.039 8.979 5.589 67 2HB PRO 11 1HB PRO 11 0.745 8.066 4.248 68 1HG PRO 11 2HG PRO 11 -1.305 10.258 4.162 69 2HG PRO 11 1HG PRO 11 0.167 10.083 3.198 70 1HD PRO 11 2HD PRO 11 -2.211 9.389 2.210 71 2HD PRO 11 1HD PRO 11 -0.757 8.434 1.849 72 H TRP 12 H TRP 12 -2.913 9.466 4.990 73 HA TRP 12 HA TRP 12 -3.252 9.208 7.823 74 1HB TRP 12 2HB TRP 12 -4.627 11.011 5.828 75 2HB TRP 12 1HB TRP 12 -4.842 11.107 7.572 76 HD1 TRP 12 HD TRP 12 -2.601 11.820 9.011 77 HE1 TRP 12 1HE TRP 12 -0.667 13.383 8.354 78 HE3 TRP 12 3HE TRP 12 -3.257 11.839 3.941 79 HZ2 TRP 12 2HZ TRP 12 0.431 14.487 6.000 80 HZ3 TRP 12 3HZ TRP 12 -1.726 13.180 2.559 81 HH2 TRP 12 HH TRP 12 0.080 14.476 3.569 82 H SER 13 H SER 13 -5.343 8.694 4.998 83 HA SER 13 HA SER 13 -6.754 6.583 6.219 84 1HB SER 13 2HB SER 13 -7.651 8.528 7.562 85 2HB SER 13 1HB SER 13 -8.370 9.137 6.072 86 HG SER 13 HG SER 13 -9.132 7.028 7.674 87 H GLY 14 H GLY 14 -8.079 5.526 4.803 88 1HA GLY 14 2HA GLY 14 -9.339 6.498 2.543 89 2HA GLY 14 1HA GLY 14 -7.717 6.037 2.035 90 H ASP 15 H ASP 15 -8.577 4.354 0.726 91 HA ASP 15 HA ASP 15 -10.201 2.276 1.808 92 1HB ASP 15 2HB ASP 15 -8.753 2.718 -0.730 93 2HB ASP 15 1HB ASP 15 -9.031 1.052 -0.290 94 H SER 16 H SER 16 -9.632 0.241 2.441 95 HA SER 16 HA SER 16 -6.967 -0.019 3.564 96 1HB SER 16 2HB SER 16 -9.180 -2.062 3.715 97 2HB SER 16 1HB SER 16 -7.834 -1.829 4.829 98 HG SER 16 HG SER 16 -9.106 0.451 4.781 99 H CYS 17 H CYS 17 -5.519 -1.696 2.982 100 HA CYS 17 HA CYS 17 -5.596 -2.436 0.237 101 1HB CYS 17 2HB CYS 17 -3.837 -3.616 2.397 102 2HB CYS 17 1HB CYS 17 -3.531 -3.606 0.665 103 H CYS 18 H CYS 18 -6.115 -4.361 -0.720 104 HA CYS 18 HA CYS 18 -7.938 -6.120 0.540 105 1HB CYS 18 2HB CYS 18 -6.297 -6.660 -1.949 106 2HB CYS 18 1HB CYS 18 -7.780 -7.469 -1.479 107 H LYS 19 H LYS 19 -7.649 -8.259 1.171 108 HA LYS 19 HA LYS 19 -5.091 -8.758 2.362 109 1HB LYS 19 2HB LYS 19 -6.178 -10.780 3.255 110 2HB LYS 19 1HB LYS 19 -7.089 -9.326 3.597 111 1HG LYS 19 2HG LYS 19 -8.644 -9.851 1.811 112 2HG LYS 19 1HG LYS 19 -7.702 -11.284 1.392 113 1HD LYS 19 2HD LYS 19 -8.149 -12.215 3.619 114 2HD LYS 19 1HD LYS 19 -9.111 -10.790 4.016 115 1HE LYS 19 2HE LYS 19 -10.660 -11.323 2.207 116 2HE LYS 19 1HE LYS 19 -9.689 -12.731 1.779 117 1HZ LYS 19 1HZ LYS 19 -11.658 -13.256 3.149 118 2HZ LYS 19 2HZ LYS 19 -10.999 -12.349 4.415 119 3HZ LYS 19 3HZ LYS 19 -10.203 -13.738 3.869 120 HA PRO 20 HA PRO 20 -3.903 -10.029 2.998 121 1HB PRO 20 2HB PRO 20 -1.725 -11.564 2.955 122 2HB PRO 20 1HB PRO 20 -3.337 -12.280 3.055 123 1HG PRO 20 2HG PRO 20 -1.442 -12.248 0.793 124 2HG PRO 20 1HG PRO 20 -2.783 -13.357 1.119 125 1HD PRO 20 2HD PRO 20 -2.740 -11.006 -0.594 126 2HD PRO 20 1HD PRO 20 -4.024 -12.220 -0.405 127 H TYR 21 H TYR 21 -3.372 -8.184 0.718 128 HA TYR 21 HA TYR 21 -0.518 -7.734 0.701 129 1HB TYR 21 2HB TYR 21 -2.701 -5.885 -0.317 130 2HB TYR 21 1HB TYR 21 -0.987 -5.818 -0.714 131 HD1 TYR 21 1HD TYR 21 0.027 -7.539 -2.154 132 HD2 TYR 21 2HD TYR 21 -4.158 -7.474 -1.397 133 HE1 TYR 21 1HE TYR 21 -0.334 -9.052 -4.057 134 HE2 TYR 21 2HE TYR 21 -4.531 -8.987 -3.300 135 HH TYR 21 HH TYR 21 -2.052 -9.728 -5.584 136 H LEU 22 H LEU 22 -0.012 -5.160 0.965 137 HA LEU 22 HA LEU 22 -1.173 -4.039 3.356 138 1HB LEU 22 2HB LEU 22 0.344 -5.733 4.284 139 2HB LEU 22 1HB LEU 22 1.675 -5.052 3.368 140 HG LEU 22 HG LEU 22 1.430 -2.942 4.673 141 1HD1 LEU 22 1HD1 LEU 22 0.087 -3.829 6.947 142 2HD1 LEU 22 2HD1 LEU 22 -0.943 -4.294 5.593 143 3HD1 LEU 22 3HD1 LEU 22 -0.458 -2.610 5.793 144 1HD2 LEU 22 1HD2 LEU 22 2.054 -5.552 5.998 145 2HD2 LEU 22 2HD2 LEU 22 2.200 -4.031 6.880 146 3HD2 LEU 22 3HD2 LEU 22 3.156 -4.302 5.422 147 H CYS 23 H CYS 23 -0.804 -1.868 3.484 148 HA CYS 23 HA CYS 23 0.198 -0.541 1.188 149 1HB CYS 23 2HB CYS 23 -1.620 0.420 2.484 150 2HB CYS 23 1HB CYS 23 -0.592 0.517 3.908 151 H SER 24 H SER 24 2.284 -0.367 0.726 152 HA SER 24 HA SER 24 4.194 -0.149 2.931 153 1HB SER 24 2HB SER 24 5.914 -0.639 1.181 154 2HB SER 24 1HB SER 24 4.722 -1.916 1.379 155 HG SER 24 HG SER 24 3.726 -0.360 -0.449 156 H CYS 25 H CYS 25 4.517 1.856 3.529 157 HA CYS 25 HA CYS 25 4.517 4.004 1.528 158 1HB CYS 25 2HB CYS 25 3.095 3.899 3.774 159 2HB CYS 25 1HB CYS 25 4.580 4.527 4.472 160 H ILE 26 H ILE 26 6.744 2.746 1.162 161 HA ILE 26 HA ILE 26 8.804 3.749 2.956 162 HB ILE 26 HB ILE 26 10.404 2.429 1.628 163 1HG1 ILE 26 2HG1 ILE 26 8.967 2.531 -0.505 164 2HG1 ILE 26 1HG1 ILE 26 9.807 1.025 -0.158 165 1HG2 ILE 26 1HG2 ILE 26 8.388 1.501 3.363 166 2HG2 ILE 26 2HG2 ILE 26 9.996 0.828 3.096 167 3HG2 ILE 26 3HG2 ILE 26 8.630 0.256 2.136 168 1HD1 ILE 26 1HD1 ILE 26 7.415 0.868 -0.977 169 2HD1 ILE 26 2HD1 ILE 26 6.942 1.463 0.614 170 3HD1 ILE 26 3HD1 ILE 26 7.827 -0.056 0.467 171 H PHE 27 H PHE 27 10.942 4.227 1.472 172 HA PHE 27 HA PHE 27 10.275 6.751 0.228 173 1HB PHE 27 2HB PHE 27 12.896 5.427 0.896 174 2HB PHE 27 1HB PHE 27 12.787 6.987 0.093 175 HD1 PHE 27 1HD PHE 27 13.160 8.781 1.444 176 HD2 PHE 27 2HD PHE 27 11.237 5.361 3.094 177 HE1 PHE 27 1HE PHE 27 13.044 9.905 3.630 178 HE2 PHE 27 2HE PHE 27 11.114 6.481 5.280 179 HZ PHE 27 HZ PHE 27 12.018 8.755 5.551 180 H PHE 28 H PHE 28 12.269 3.959 -0.736 181 HA PHE 28 HA PHE 28 12.713 4.793 -3.363 182 1HB PHE 28 2HB PHE 28 12.819 2.077 -2.071 183 2HB PHE 28 1HB PHE 28 13.197 2.310 -3.773 184 HD1 PHE 28 1HD PHE 28 14.070 4.102 -0.601 185 HD2 PHE 28 2HD PHE 28 15.435 2.267 -4.191 186 HE1 PHE 28 1HE PHE 28 16.386 4.690 -0.017 187 HE2 PHE 28 2HE PHE 28 17.753 2.851 -3.612 188 HZ PHE 28 HZ PHE 28 18.231 4.063 -1.523 189 H TYR 29 H TYR 29 10.071 3.003 -1.964 190 HA TYR 29 HA TYR 29 8.829 2.883 -4.634 191 1HB TYR 29 2HB TYR 29 8.372 1.070 -2.252 192 2HB TYR 29 1HB TYR 29 7.405 1.038 -3.719 193 HD1 TYR 29 1HD TYR 29 11.024 0.863 -2.745 194 HD2 TYR 29 2HD TYR 29 7.911 -0.589 -5.254 195 HE1 TYR 29 1HE TYR 29 12.586 -0.757 -3.734 196 HE2 TYR 29 2HE TYR 29 9.465 -2.213 -6.250 197 HH TYR 29 HH TYR 29 11.866 -3.350 -5.188 198 HA PRO 30 HA PRO 30 6.007 5.950 -3.097 199 1HB PRO 30 2HB PRO 30 4.169 4.733 -5.089 200 2HB PRO 30 1HB PRO 30 4.676 6.415 -4.908 201 1HG PRO 30 2HG PRO 30 5.630 4.899 -6.886 202 2HG PRO 30 1HG PRO 30 6.659 6.080 -6.055 203 1HD PRO 30 2HD PRO 30 6.565 3.109 -5.763 204 2HD PRO 30 1HD PRO 30 7.963 4.202 -5.724 205 H CYS 31 H CYS 31 4.379 5.976 -1.616 206 HA CYS 31 HA CYS 31 3.726 3.702 -0.187 207 1HB CYS 31 2HB CYS 31 2.182 6.295 -0.349 208 2HB CYS 31 1HB CYS 31 2.021 5.082 0.921 209 H SER 32 H SER 32 2.885 2.014 -1.166 210 HA SER 32 HA SER 32 0.138 2.168 -2.047 211 1HB SER 32 2HB SER 32 0.797 0.863 -4.175 212 2HB SER 32 1HB SER 32 1.110 2.599 -4.158 213 HG SER 32 HG SER 32 3.287 2.033 -3.445 214 H CYS 33 H CYS 33 -0.907 0.133 -2.022 215 HA CYS 33 HA CYS 33 0.158 -1.707 -0.148 216 1HB CYS 33 2HB CYS 33 -2.137 -2.274 -2.029 217 2HB CYS 33 1HB CYS 33 -1.824 -2.989 -0.461 218 H ARG 34 H ARG 34 1.359 -3.383 -0.422 219 HA ARG 34 HA ARG 34 1.709 -4.607 -3.079 220 1HB ARG 34 2HB ARG 34 3.950 -4.104 -1.092 221 2HB ARG 34 1HB ARG 34 4.100 -4.757 -2.716 222 1HG ARG 34 2HG ARG 34 3.036 -2.001 -2.258 223 2HG ARG 34 1HG ARG 34 4.769 -2.320 -2.301 224 1HD ARG 34 2HD ARG 34 4.650 -3.111 -4.536 225 2HD ARG 34 1HD ARG 34 2.887 -3.139 -4.499 226 HE ARG 34 HE ARG 34 3.480 -0.539 -4.012 227 1HH1 ARG 34 1HH1 ARG 34 4.499 -2.762 -6.517 228 2HH1 ARG 34 2HH1 ARG 34 4.561 -1.547 -7.749 229 1HH2 ARG 34 1HH2 ARG 34 3.543 1.058 -5.612 230 2HH2 ARG 34 2HH2 ARG 34 4.019 0.645 -7.231 231 HA PRO 35 HA PRO 35 1.166 -8.534 -1.085 232 1HB PRO 35 2HB PRO 35 3.991 -9.257 -1.677 233 2HB PRO 35 1HB PRO 35 2.504 -10.130 -2.060 234 1HG PRO 35 2HG PRO 35 3.897 -8.778 -3.926 235 2HG PRO 35 1HG PRO 35 2.132 -8.925 -3.980 236 1HD PRO 35 2HD PRO 35 3.810 -6.585 -3.294 237 2HD PRO 35 1HD PRO 35 2.167 -6.646 -3.956 238 H LYS 36 H LYS 36 1.439 -9.324 1.011 239 HA LYS 36 HA LYS 36 3.085 -7.726 2.731 240 1HB LYS 36 2HB LYS 36 0.846 -8.569 3.423 241 2HB LYS 36 1HB LYS 36 1.490 -10.205 3.414 242 1HG LYS 36 2HG LYS 36 3.011 -9.670 5.198 243 2HG LYS 36 1HG LYS 36 2.529 -7.974 5.148 244 1HD LYS 36 2HD LYS 36 0.588 -10.203 5.728 245 2HD LYS 36 1HD LYS 36 1.513 -9.395 6.993 246 1HE LYS 36 2HE LYS 36 -0.523 -8.256 6.979 247 2HE LYS 36 1HE LYS 36 0.545 -7.217 6.042 248 1HZ LYS 36 1HZ LYS 36 -1.088 -7.268 4.535 249 2HZ LYS 36 2HZ LYS 36 -1.827 -8.623 5.226 250 3HZ LYS 36 3HZ LYS 36 -0.536 -8.823 4.151 251 H GLY 37 H GLY 37 5.162 -8.058 2.972 252 1HA GLY 37 2HA GLY 37 7.059 -9.304 3.633 253 2HA GLY 37 1HA GLY 37 6.203 -10.783 3.205 254 H TRP 38 H TRP 38 6.681 -7.816 1.372 255 HA TRP 38 HA TRP 38 7.408 -9.264 -0.988 256 1HB TRP 38 2HB TRP 38 7.311 -7.158 -2.102 257 2HB TRP 38 1HB TRP 38 6.014 -7.135 -0.914 258 HD1 TRP 38 HD TRP 38 9.283 -5.442 -1.813 259 HE1 TRP 38 1HE TRP 38 9.619 -3.374 -0.326 260 HE3 TRP 38 3HE TRP 38 5.426 -6.153 1.466 261 HZ2 TRP 38 2HZ TRP 38 8.413 -2.195 1.934 262 HZ3 TRP 38 3HZ TRP 38 5.087 -4.511 3.262 263 HH2 TRP 38 HH TRP 38 6.551 -2.572 3.490 Start of MODEL 15 1 1H LYS 1 1HT LYS 1 -15.557 -1.631 -1.617 2 2H LYS 1 2HT LYS 1 -14.288 -0.810 -0.842 3 3H LYS 1 3HT LYS 1 -14.671 -2.400 -0.396 4 HA LYS 1 HA LYS 1 -13.987 -3.205 -2.564 5 1HB LYS 1 2HB LYS 1 -14.599 -1.267 -3.866 6 2HB LYS 1 1HB LYS 1 -13.533 -0.231 -2.942 7 1HG LYS 1 2HG LYS 1 -12.640 -0.595 -5.144 8 2HG LYS 1 1HG LYS 1 -11.594 -1.351 -3.947 9 1HD LYS 1 2HD LYS 1 -12.620 -3.534 -4.465 10 2HD LYS 1 1HD LYS 1 -13.617 -2.754 -5.698 11 1HE LYS 1 2HE LYS 1 -11.683 -2.150 -6.975 12 2HE LYS 1 1HE LYS 1 -10.603 -2.673 -5.685 13 1HZ LYS 1 1HZ LYS 1 -12.425 -4.687 -6.728 14 2HZ LYS 1 2HZ LYS 1 -10.803 -4.825 -6.268 15 3HZ LYS 1 3HZ LYS 1 -11.201 -4.178 -7.779 16 H CYS 2 H CYS 2 -11.439 -3.001 -3.227 17 HA CYS 2 HA CYS 2 -9.852 -2.211 -0.976 18 1HB CYS 2 2HB CYS 2 -8.756 -4.370 -0.674 19 2HB CYS 2 1HB CYS 2 -10.466 -4.470 -0.312 20 H LEU 3 H LEU 3 -7.699 -2.033 -1.432 21 HA LEU 3 HA LEU 3 -7.155 -1.420 -4.184 22 1HB LEU 3 2HB LEU 3 -5.410 -1.280 -1.732 23 2HB LEU 3 1HB LEU 3 -5.015 -0.615 -3.297 24 HG LEU 3 HG LEU 3 -7.289 0.269 -1.537 25 1HD1 LEU 3 1HD1 LEU 3 -5.141 2.110 -2.343 26 2HD1 LEU 3 2HD1 LEU 3 -4.690 0.847 -1.197 27 3HD1 LEU 3 3HD1 LEU 3 -6.001 1.962 -0.811 28 1HD2 LEU 3 1HD2 LEU 3 -6.577 0.844 -4.358 29 2HD2 LEU 3 2HD2 LEU 3 -7.123 2.195 -3.363 30 3HD2 LEU 3 3HD2 LEU 3 -8.157 0.783 -3.577 31 H ALA 4 H ALA 4 -5.851 -2.489 -5.592 32 HA ALA 4 HA ALA 4 -5.268 -5.233 -5.002 33 1HB ALA 4 1HB ALA 4 -5.608 -5.395 -7.183 34 2HB ALA 4 2HB ALA 4 -4.102 -4.523 -7.466 35 3HB ALA 4 3HB ALA 4 -5.622 -3.639 -7.339 36 H GLU 5 H GLU 5 -2.993 -5.745 -6.423 37 HA GLU 5 HA GLU 5 -0.981 -5.172 -4.514 38 1HB GLU 5 2HB GLU 5 -1.144 -7.301 -5.769 39 2HB GLU 5 1HB GLU 5 -0.715 -6.441 -7.241 40 1HG GLU 5 2HG GLU 5 1.456 -5.920 -6.370 41 2HG GLU 5 1HG GLU 5 1.029 -6.590 -4.795 42 H ALA 6 H ALA 6 0.578 -3.753 -4.528 43 HA ALA 6 HA ALA 6 1.844 -1.944 -5.016 44 1HB ALA 6 1HB ALA 6 1.569 -3.279 -7.637 45 2HB ALA 6 2HB ALA 6 3.016 -2.793 -6.754 46 3HB ALA 6 3HB ALA 6 2.096 -1.596 -7.665 47 H ALA 7 H ALA 7 -0.741 -1.418 -4.364 48 HA ALA 7 HA ALA 7 -1.404 0.808 -6.192 49 1HB ALA 7 1HB ALA 7 -3.359 -0.222 -6.489 50 2HB ALA 7 2HB ALA 7 -3.747 0.285 -4.845 51 3HB ALA 7 3HB ALA 7 -3.082 -1.321 -5.138 52 H ASP 8 H ASP 8 -1.201 2.758 -5.330 53 HA ASP 8 HA ASP 8 -0.436 3.258 -2.703 54 1HB ASP 8 2HB ASP 8 -1.597 5.059 -4.814 55 2HB ASP 8 1HB ASP 8 -1.103 5.660 -3.233 56 H CYS 9 H CYS 9 -1.448 3.560 -0.839 57 HA CYS 9 HA CYS 9 -4.357 3.301 -0.846 58 1HB CYS 9 2HB CYS 9 -4.182 2.710 1.491 59 2HB CYS 9 1HB CYS 9 -3.042 1.753 0.564 60 H SER 10 H SER 10 -5.168 4.419 1.411 61 HA SER 10 HA SER 10 -4.193 7.094 1.763 62 1HB SER 10 2HB SER 10 -5.530 7.257 -0.362 63 2HB SER 10 1HB SER 10 -6.947 6.737 0.547 64 HG SER 10 HG SER 10 -6.161 9.167 0.240 65 HA PRO 11 HA PRO 11 -5.834 6.194 5.744 66 1HB PRO 11 2HB PRO 11 -6.134 8.789 6.629 67 2HB PRO 11 1HB PRO 11 -4.615 7.888 6.643 68 1HG PRO 11 2HG PRO 11 -5.608 9.907 4.677 69 2HG PRO 11 1HG PRO 11 -3.972 9.674 5.318 70 1HD PRO 11 2HD PRO 11 -4.665 8.831 2.867 71 2HD PRO 11 1HD PRO 11 -3.514 7.932 3.876 72 H TRP 12 H TRP 12 -7.532 8.512 3.677 73 HA TRP 12 HA TRP 12 -10.054 7.542 4.822 74 1HB TRP 12 2HB TRP 12 -9.479 10.463 4.274 75 2HB TRP 12 1HB TRP 12 -11.008 9.798 4.834 76 HD1 TRP 12 HD TRP 12 -10.937 8.689 7.385 77 HE1 TRP 12 1HE TRP 12 -9.602 9.471 9.441 78 HE3 TRP 12 3HE TRP 12 -7.414 11.547 5.027 79 HZ2 TRP 12 2HZ TRP 12 -7.358 11.092 9.992 80 HZ3 TRP 12 3HZ TRP 12 -5.713 12.684 6.392 81 HH2 TRP 12 HH TRP 12 -5.686 12.461 8.823 82 H SER 13 H SER 13 -8.665 9.574 2.250 83 HA SER 13 HA SER 13 -10.882 9.107 0.492 84 1HB SER 13 2HB SER 13 -8.197 10.316 -0.190 85 2HB SER 13 1HB SER 13 -9.726 10.547 -1.040 86 HG SER 13 HG SER 13 -10.497 11.720 0.681 87 H GLY 14 H GLY 14 -10.054 6.613 1.091 88 1HA GLY 14 2HA GLY 14 -9.556 5.466 -1.415 89 2HA GLY 14 1HA GLY 14 -8.029 5.543 -0.549 90 H ASP 15 H ASP 15 -9.878 3.325 -1.413 91 HA ASP 15 HA ASP 15 -10.958 2.100 0.890 92 1HB ASP 15 2HB ASP 15 -10.317 1.195 -1.884 93 2HB ASP 15 1HB ASP 15 -10.679 -0.020 -0.667 94 H SER 16 H SER 16 -10.218 -0.014 1.743 95 HA SER 16 HA SER 16 -7.463 0.181 2.547 96 1HB SER 16 2HB SER 16 -9.473 -1.993 3.174 97 2HB SER 16 1HB SER 16 -7.977 -1.653 4.044 98 HG SER 16 HG SER 16 -9.462 0.576 3.905 99 H CYS 17 H CYS 17 -5.907 -1.514 2.268 100 HA CYS 17 HA CYS 17 -5.731 -2.480 -0.369 101 1HB CYS 17 2HB CYS 17 -4.195 -3.577 1.989 102 2HB CYS 17 1HB CYS 17 -3.686 -3.508 0.306 103 H CYS 18 H CYS 18 -6.017 -4.528 -1.248 104 HA CYS 18 HA CYS 18 -7.951 -6.241 -0.062 105 1HB CYS 18 2HB CYS 18 -6.017 -6.822 -2.328 106 2HB CYS 18 1HB CYS 18 -7.400 -7.813 -1.899 107 H LYS 19 H LYS 19 -7.664 -8.224 0.946 108 HA LYS 19 HA LYS 19 -5.209 -8.440 2.393 109 1HB LYS 19 2HB LYS 19 -6.248 -10.126 3.662 110 2HB LYS 19 1HB LYS 19 -7.504 -8.967 3.314 111 1HG LYS 19 2HG LYS 19 -7.091 -11.544 1.811 112 2HG LYS 19 1HG LYS 19 -8.238 -11.325 3.130 113 1HD LYS 19 2HD LYS 19 -9.615 -9.942 1.869 114 2HD LYS 19 1HD LYS 19 -8.324 -9.524 0.739 115 1HE LYS 19 2HE LYS 19 -9.617 -12.241 0.977 116 2HE LYS 19 1HE LYS 19 -10.011 -11.034 -0.249 117 1HZ LYS 19 1HZ LYS 19 -8.361 -11.825 -1.475 118 2HZ LYS 19 2HZ LYS 19 -7.943 -12.939 -0.273 119 3HZ LYS 19 3HZ LYS 19 -7.239 -11.396 -0.278 120 HA PRO 20 HA PRO 20 -4.128 -9.521 3.358 121 1HB PRO 20 2HB PRO 20 -1.881 -10.886 3.836 122 2HB PRO 20 1HB PRO 20 -3.455 -11.691 3.847 123 1HG PRO 20 2HG PRO 20 -1.275 -11.866 1.863 124 2HG PRO 20 1HG PRO 20 -2.586 -13.009 2.194 125 1HD PRO 20 2HD PRO 20 -2.438 -10.958 0.138 126 2HD PRO 20 1HD PRO 20 -3.675 -12.213 0.368 127 H TYR 21 H TYR 21 -3.315 -8.102 0.823 128 HA TYR 21 HA TYR 21 -0.562 -7.444 0.985 129 1HB TYR 21 2HB TYR 21 -2.790 -5.840 -0.301 130 2HB TYR 21 1HB TYR 21 -1.066 -5.592 -0.532 131 HD1 TYR 21 1HD TYR 21 0.141 -6.812 -2.102 132 HD2 TYR 21 2HD TYR 21 -3.803 -8.048 -1.111 133 HE1 TYR 21 1HE TYR 21 0.180 -8.403 -3.966 134 HE2 TYR 21 2HE TYR 21 -3.774 -9.651 -2.980 135 HH TYR 21 HH TYR 21 -0.979 -9.836 -5.183 136 H LEU 22 H LEU 22 0.442 -5.565 1.675 137 HA LEU 22 HA LEU 22 -1.023 -4.057 3.742 138 1HB LEU 22 2HB LEU 22 0.510 -5.678 4.739 139 2HB LEU 22 1HB LEU 22 1.830 -5.045 3.777 140 HG LEU 22 HG LEU 22 1.516 -2.847 4.988 141 1HD1 LEU 22 1HD1 LEU 22 -0.251 -4.576 6.708 142 2HD1 LEU 22 2HD1 LEU 22 -0.725 -3.139 5.801 143 3HD1 LEU 22 3HD1 LEU 22 0.369 -2.993 7.178 144 1HD2 LEU 22 1HD2 LEU 22 3.321 -4.400 5.527 145 2HD2 LEU 22 2HD2 LEU 22 2.255 -5.266 6.632 146 3HD2 LEU 22 3HD2 LEU 22 2.717 -3.600 6.977 147 H CYS 23 H CYS 23 -0.825 -1.860 3.650 148 HA CYS 23 HA CYS 23 0.488 -0.716 1.373 149 1HB CYS 23 2HB CYS 23 -1.673 0.156 2.422 150 2HB CYS 23 1HB CYS 23 -0.658 0.839 3.690 151 H SER 24 H SER 24 2.518 -0.130 1.247 152 HA SER 24 HA SER 24 3.949 0.512 3.733 153 1HB SER 24 2HB SER 24 5.958 -0.524 2.359 154 2HB SER 24 1HB SER 24 4.855 -1.564 3.254 155 HG SER 24 HG SER 24 3.751 -1.970 1.338 156 H CYS 25 H CYS 25 4.981 2.391 3.715 157 HA CYS 25 HA CYS 25 5.103 3.879 1.195 158 1HB CYS 25 2HB CYS 25 4.115 4.596 3.669 159 2HB CYS 25 1HB CYS 25 5.708 5.342 3.662 160 H ILE 26 H ILE 26 7.017 2.627 0.599 161 HA ILE 26 HA ILE 26 9.425 3.102 2.138 162 HB ILE 26 HB ILE 26 10.585 1.810 0.344 163 1HG1 ILE 26 2HG1 ILE 26 8.731 2.351 -1.389 164 2HG1 ILE 26 1HG1 ILE 26 9.471 0.757 -1.415 165 1HG2 ILE 26 1HG2 ILE 26 8.492 0.798 2.142 166 2HG2 ILE 26 2HG2 ILE 26 10.209 0.404 2.049 167 3HG2 ILE 26 3HG2 ILE 26 9.073 -0.334 0.919 168 1HD1 ILE 26 1HD1 ILE 26 6.986 0.807 -1.706 169 2HD1 ILE 26 2HD1 ILE 26 6.869 1.346 -0.030 170 3HD1 ILE 26 3HD1 ILE 26 7.567 -0.231 -0.403 171 H PHE 27 H PHE 27 11.356 3.392 0.245 172 HA PHE 27 HA PHE 27 11.063 6.194 -0.386 173 1HB PHE 27 2HB PHE 27 13.378 4.283 -0.667 174 2HB PHE 27 1HB PHE 27 13.465 5.983 -1.109 175 HD1 PHE 27 1HD PHE 27 14.417 7.384 0.417 176 HD2 PHE 27 2HD PHE 27 12.379 3.924 1.826 177 HE1 PHE 27 1HE PHE 27 15.042 7.960 2.725 178 HE2 PHE 27 2HE PHE 27 12.996 4.497 4.137 179 HZ PHE 27 HZ PHE 27 14.329 6.517 4.589 180 H PHE 28 H PHE 28 11.847 3.253 -2.219 181 HA PHE 28 HA PHE 28 11.918 4.508 -4.745 182 1HB PHE 28 2HB PHE 28 11.597 1.621 -3.932 183 2HB PHE 28 1HB PHE 28 11.674 2.128 -5.615 184 HD1 PHE 28 1HD PHE 28 13.695 1.743 -6.591 185 HD2 PHE 28 2HD PHE 28 13.602 2.904 -2.497 186 HE1 PHE 28 1HE PHE 28 16.152 1.651 -6.511 187 HE2 PHE 28 2HE PHE 28 16.058 2.817 -2.412 188 HZ PHE 28 HZ PHE 28 17.337 2.191 -4.422 189 H TYR 29 H TYR 29 9.334 3.283 -2.821 190 HA TYR 29 HA TYR 29 7.423 4.110 -4.888 191 1HB TYR 29 2HB TYR 29 7.231 1.542 -3.285 192 2HB TYR 29 1HB TYR 29 5.950 2.189 -4.297 193 HD1 TYR 29 1HD TYR 29 5.893 1.746 -6.609 194 HD2 TYR 29 2HD TYR 29 9.379 0.782 -4.371 195 HE1 TYR 29 1HE TYR 29 6.763 0.473 -8.523 196 HE2 TYR 29 2HE TYR 29 10.263 -0.486 -6.283 197 HH TYR 29 HH TYR 29 9.445 -0.196 -9.225 198 HA PRO 30 HA PRO 30 5.806 6.299 -1.395 199 1HB PRO 30 2HB PRO 30 3.292 6.810 -2.345 200 2HB PRO 30 1HB PRO 30 4.730 7.711 -2.836 201 1HG PRO 30 2HG PRO 30 3.299 5.505 -4.247 202 2HG PRO 30 1HG PRO 30 4.035 6.972 -4.914 203 1HD PRO 30 2HD PRO 30 5.221 4.531 -5.037 204 2HD PRO 30 1HD PRO 30 6.137 6.049 -4.954 205 H CYS 31 H CYS 31 3.114 6.288 -0.621 206 HA CYS 31 HA CYS 31 2.994 3.932 0.953 207 1HB CYS 31 2HB CYS 31 1.014 6.152 0.458 208 2HB CYS 31 1HB CYS 31 0.683 4.811 1.543 209 H SER 32 H SER 32 3.075 2.338 -0.806 210 HA SER 32 HA SER 32 0.451 1.971 -2.068 211 1HB SER 32 2HB SER 32 1.864 0.467 -3.657 212 2HB SER 32 1HB SER 32 1.952 2.213 -3.844 213 HG SER 32 HG SER 32 3.874 2.190 -2.623 214 H CYS 33 H CYS 33 -0.594 0.050 -1.979 215 HA CYS 33 HA CYS 33 0.092 -1.760 0.130 216 1HB CYS 33 2HB CYS 33 -1.928 -2.271 -2.062 217 2HB CYS 33 1HB CYS 33 -1.886 -2.967 -0.456 218 H ARG 34 H ARG 34 1.571 -3.264 -0.048 219 HA ARG 34 HA ARG 34 2.101 -4.447 -2.700 220 1HB ARG 34 2HB ARG 34 4.190 -4.310 -0.530 221 2HB ARG 34 1HB ARG 34 4.411 -4.529 -2.258 222 1HG ARG 34 2HG ARG 34 3.664 -1.977 -0.846 223 2HG ARG 34 1HG ARG 34 5.210 -2.362 -1.596 224 1HD ARG 34 2HD ARG 34 2.581 -2.127 -3.058 225 2HD ARG 34 1HD ARG 34 3.801 -0.861 -2.965 226 HE ARG 34 HE ARG 34 3.762 -3.036 -4.752 227 1HH1 ARG 34 1HH1 ARG 34 5.968 -1.081 -2.872 228 2HH1 ARG 34 2HH1 ARG 34 7.336 -1.418 -3.882 229 1HH2 ARG 34 1HH2 ARG 34 5.560 -3.489 -6.098 230 2HH2 ARG 34 2HH2 ARG 34 7.103 -2.790 -5.728 231 HA PRO 35 HA PRO 35 1.248 -8.465 -1.116 232 1HB PRO 35 2HB PRO 35 4.067 -9.286 -1.537 233 2HB PRO 35 1HB PRO 35 2.576 -10.022 -2.130 234 1HG PRO 35 2HG PRO 35 4.201 -8.576 -3.723 235 2HG PRO 35 1HG PRO 35 2.444 -8.624 -3.942 236 1HD PRO 35 2HD PRO 35 4.157 -6.455 -2.879 237 2HD PRO 35 1HD PRO 35 2.583 -6.362 -3.688 238 H LYS 36 H LYS 36 1.466 -9.726 0.757 239 HA LYS 36 HA LYS 36 2.773 -8.386 2.936 240 1HB LYS 36 2HB LYS 36 0.536 -9.611 3.035 241 2HB LYS 36 1HB LYS 36 1.459 -11.107 2.994 242 1HG LYS 36 2HG LYS 36 0.847 -10.550 5.265 243 2HG LYS 36 1HG LYS 36 2.599 -10.450 5.063 244 1HD LYS 36 2HD LYS 36 2.517 -8.061 4.952 245 2HD LYS 36 1HD LYS 36 0.754 -8.072 4.894 246 1HE LYS 36 2HE LYS 36 2.425 -9.038 7.211 247 2HE LYS 36 1HE LYS 36 1.634 -7.465 7.118 248 1HZ LYS 36 1HZ LYS 36 0.228 -8.871 8.362 249 2HZ LYS 36 2HZ LYS 36 0.348 -10.132 7.241 250 3HZ LYS 36 3HZ LYS 36 -0.498 -8.723 6.840 251 H GLY 37 H GLY 37 4.889 -8.538 3.070 252 1HA GLY 37 2HA GLY 37 6.884 -9.667 3.623 253 2HA GLY 37 1HA GLY 37 6.139 -11.181 3.112 254 H TRP 38 H TRP 38 6.458 -8.062 1.506 255 HA TRP 38 HA TRP 38 7.051 -9.179 -1.018 256 1HB TRP 38 2HB TRP 38 7.255 -6.900 -1.775 257 2HB TRP 38 1HB TRP 38 5.930 -6.963 -0.620 258 HD1 TRP 38 HD TRP 38 9.546 -5.718 -0.946 259 HE1 TRP 38 1HE TRP 38 9.969 -3.911 0.829 260 HE3 TRP 38 3HE TRP 38 5.122 -6.018 1.605 261 HZ2 TRP 38 2HZ TRP 38 8.616 -2.761 3.017 262 HZ3 TRP 38 3HZ TRP 38 4.771 -4.534 3.529 263 HH2 TRP 38 HH TRP 38 6.483 -2.936 4.218 Start of MODEL 16 1 1H LYS 1 1HT LYS 1 -14.208 0.009 0.010 2 2H LYS 1 2HT LYS 1 -14.641 0.449 -1.562 3 3H LYS 1 3HT LYS 1 -13.094 0.825 -0.972 4 HA LYS 1 HA LYS 1 -13.988 -1.985 -1.102 5 1HB LYS 1 2HB LYS 1 -13.348 -2.194 -3.361 6 2HB LYS 1 1HB LYS 1 -14.296 -0.715 -3.333 7 1HG LYS 1 2HG LYS 1 -12.152 0.563 -3.198 8 2HG LYS 1 1HG LYS 1 -11.296 -0.960 -3.441 9 1HD LYS 1 2HD LYS 1 -11.405 -0.289 -5.608 10 2HD LYS 1 1HD LYS 1 -12.968 -1.100 -5.514 11 1HE LYS 1 2HE LYS 1 -13.312 1.016 -6.563 12 2HE LYS 1 1HE LYS 1 -13.989 1.109 -4.938 13 1HZ LYS 1 1HZ LYS 1 -11.866 2.184 -4.237 14 2HZ LYS 1 2HZ LYS 1 -12.768 3.094 -5.349 15 3HZ LYS 1 3HZ LYS 1 -11.407 2.240 -5.868 16 H CYS 2 H CYS 2 -11.647 -2.966 -2.148 17 HA CYS 2 HA CYS 2 -9.659 -1.853 -0.305 18 1HB CYS 2 2HB CYS 2 -8.718 -4.029 0.090 19 2HB CYS 2 1HB CYS 2 -10.423 -4.050 0.477 20 H LEU 3 H LEU 3 -7.540 -1.898 -0.898 21 HA LEU 3 HA LEU 3 -7.127 -1.496 -3.731 22 1HB LEU 3 2HB LEU 3 -5.250 -1.219 -1.388 23 2HB LEU 3 1HB LEU 3 -4.929 -0.680 -3.018 24 HG LEU 3 HG LEU 3 -7.124 0.389 -1.252 25 1HD1 LEU 3 1HD1 LEU 3 -4.817 2.046 -2.091 26 2HD1 LEU 3 2HD1 LEU 3 -4.549 0.860 -0.813 27 3HD1 LEU 3 3HD1 LEU 3 -5.784 2.105 -0.616 28 1HD2 LEU 3 1HD2 LEU 3 -6.754 0.513 -4.057 29 2HD2 LEU 3 2HD2 LEU 3 -6.413 2.113 -3.399 30 3HD2 LEU 3 3HD2 LEU 3 -7.963 1.338 -3.072 31 H ALA 4 H ALA 4 -6.216 -2.926 -5.081 32 HA ALA 4 HA ALA 4 -5.466 -5.522 -4.108 33 1HB ALA 4 1HB ALA 4 -6.721 -5.177 -6.214 34 2HB ALA 4 2HB ALA 4 -5.256 -6.136 -6.424 35 3HB ALA 4 3HB ALA 4 -5.277 -4.443 -6.915 36 H GLU 5 H GLU 5 -3.456 -6.235 -5.890 37 HA GLU 5 HA GLU 5 -1.171 -5.359 -4.464 38 1HB GLU 5 2HB GLU 5 0.039 -6.739 -6.261 39 2HB GLU 5 1HB GLU 5 -1.045 -7.572 -5.158 40 1HG GLU 5 2HG GLU 5 -2.814 -7.287 -6.985 41 2HG GLU 5 1HG GLU 5 -1.456 -6.906 -8.045 42 H ALA 6 H ALA 6 0.221 -3.882 -4.857 43 HA ALA 6 HA ALA 6 1.322 -2.116 -5.721 44 1HB ALA 6 1HB ALA 6 0.552 -2.698 -8.530 45 2HB ALA 6 2HB ALA 6 1.519 -3.904 -7.681 46 3HB ALA 6 3HB ALA 6 2.119 -2.254 -7.851 47 H ALA 7 H ALA 7 -1.272 -1.759 -4.815 48 HA ALA 7 HA ALA 7 -2.370 0.216 -6.710 49 1HB ALA 7 1HB ALA 7 -3.601 -1.701 -4.944 50 2HB ALA 7 2HB ALA 7 -4.319 -0.742 -6.238 51 3HB ALA 7 3HB ALA 7 -4.186 -0.070 -4.613 52 H ASP 8 H ASP 8 -2.226 2.332 -6.253 53 HA ASP 8 HA ASP 8 -0.657 3.288 -4.149 54 1HB ASP 8 2HB ASP 8 -1.442 5.533 -4.814 55 2HB ASP 8 1HB ASP 8 -0.950 4.561 -6.195 56 H CYS 9 H CYS 9 -1.064 4.120 -2.163 57 HA CYS 9 HA CYS 9 -3.734 3.574 -1.098 58 1HB CYS 9 2HB CYS 9 -1.368 4.376 0.561 59 2HB CYS 9 1HB CYS 9 -2.792 3.474 1.048 60 H SER 10 H SER 10 -4.825 5.081 0.191 61 HA SER 10 HA SER 10 -4.540 7.798 -0.719 62 1HB SER 10 2HB SER 10 -6.448 6.704 1.359 63 2HB SER 10 1HB SER 10 -6.618 8.194 0.427 64 HG SER 10 HG SER 10 -6.316 6.276 -1.333 65 HA PRO 11 HA PRO 11 -1.785 8.987 2.552 66 1HB PRO 11 2HB PRO 11 -2.116 11.697 2.284 67 2HB PRO 11 1HB PRO 11 -1.076 10.714 1.248 68 1HG PRO 11 2HG PRO 11 -3.864 11.686 0.758 69 2HG PRO 11 1HG PRO 11 -2.487 11.635 -0.354 70 1HD PRO 11 2HD PRO 11 -4.432 9.796 -0.451 71 2HD PRO 11 1HD PRO 11 -2.737 9.370 -0.766 72 H TRP 12 H TRP 12 -4.753 11.000 2.410 73 HA TRP 12 HA TRP 12 -4.703 11.338 5.266 74 1HB TRP 12 2HB TRP 12 -6.790 12.167 3.240 75 2HB TRP 12 1HB TRP 12 -6.778 12.639 4.936 76 HD1 TRP 12 HD TRP 12 -4.733 14.295 5.709 77 HE1 TRP 12 1HE TRP 12 -3.466 16.086 4.365 78 HE3 TRP 12 3HE TRP 12 -5.952 12.778 0.981 79 HZ2 TRP 12 2HZ TRP 12 -3.046 16.772 1.661 80 HZ3 TRP 12 3HZ TRP 12 -5.081 14.061 -0.930 81 HH2 TRP 12 HH TRP 12 -3.658 16.017 -0.595 82 H SER 13 H SER 13 -6.955 9.823 2.972 83 HA SER 13 HA SER 13 -7.476 7.582 4.582 84 1HB SER 13 2HB SER 13 -8.644 9.370 5.951 85 2HB SER 13 1HB SER 13 -9.742 9.592 4.590 86 HG SER 13 HG SER 13 -9.545 7.496 6.403 87 H GLY 14 H GLY 14 -8.878 6.105 3.532 88 1HA GLY 14 2HA GLY 14 -10.563 6.619 1.397 89 2HA GLY 14 1HA GLY 14 -8.963 6.378 0.711 90 H ASP 15 H ASP 15 -9.320 4.458 -0.293 91 HA ASP 15 HA ASP 15 -10.643 2.261 0.959 92 1HB ASP 15 2HB ASP 15 -9.058 2.576 -1.564 93 2HB ASP 15 1HB ASP 15 -9.506 0.979 -1.000 94 H SER 16 H SER 16 -9.792 0.417 1.805 95 HA SER 16 HA SER 16 -7.061 0.644 2.825 96 1HB SER 16 2HB SER 16 -9.155 -1.396 3.593 97 2HB SER 16 1HB SER 16 -7.697 -0.961 4.485 98 HG SER 16 HG SER 16 -9.201 1.226 4.027 99 H CYS 17 H CYS 17 -5.572 -1.108 2.613 100 HA CYS 17 HA CYS 17 -5.533 -2.321 0.075 101 1HB CYS 17 2HB CYS 17 -3.960 -3.113 2.538 102 2HB CYS 17 1HB CYS 17 -3.561 -3.524 0.875 103 H CYS 18 H CYS 18 -5.924 -4.414 -0.607 104 HA CYS 18 HA CYS 18 -7.866 -5.950 0.817 105 1HB CYS 18 2HB CYS 18 -6.143 -6.808 -1.530 106 2HB CYS 18 1HB CYS 18 -7.604 -7.606 -0.972 107 H LYS 19 H LYS 19 -7.583 -7.854 1.925 108 HA LYS 19 HA LYS 19 -5.005 -8.156 3.140 109 1HB LYS 19 2HB LYS 19 -6.136 -9.968 4.425 110 2HB LYS 19 1HB LYS 19 -6.920 -8.407 4.553 111 1HG LYS 19 2HG LYS 19 -8.634 -9.095 3.003 112 2HG LYS 19 1HG LYS 19 -7.810 -10.631 2.726 113 1HD LYS 19 2HD LYS 19 -9.653 -10.955 4.261 114 2HD LYS 19 1HD LYS 19 -8.124 -11.197 5.106 115 1HE LYS 19 2HE LYS 19 -9.607 -9.916 6.506 116 2HE LYS 19 1HE LYS 19 -8.283 -8.884 5.973 117 1HZ LYS 19 1HZ LYS 19 -10.984 -8.390 5.725 118 2HZ LYS 19 2HZ LYS 19 -10.455 -8.740 4.157 119 3HZ LYS 19 3HZ LYS 19 -9.720 -7.499 5.040 120 HA PRO 20 HA PRO 20 -3.796 -9.289 4.005 121 1HB PRO 20 2HB PRO 20 -1.638 -10.842 4.216 122 2HB PRO 20 1HB PRO 20 -3.254 -11.485 4.527 123 1HG PRO 20 2HG PRO 20 -1.449 -11.980 2.247 124 2HG PRO 20 1HG PRO 20 -2.790 -12.964 2.852 125 1HD PRO 20 2HD PRO 20 -2.781 -11.043 0.668 126 2HD PRO 20 1HD PRO 20 -4.073 -12.157 1.162 127 H TYR 21 H TYR 21 -3.296 -8.067 1.308 128 HA TYR 21 HA TYR 21 -0.492 -7.655 1.022 129 1HB TYR 21 2HB TYR 21 -2.734 -5.915 -0.054 130 2HB TYR 21 1HB TYR 21 -1.054 -5.900 -0.568 131 HD1 TYR 21 1HD TYR 21 -0.342 -7.244 -2.316 132 HD2 TYR 21 2HD TYR 21 -4.038 -8.137 -0.412 133 HE1 TYR 21 1HE TYR 21 -0.814 -8.933 -4.036 134 HE2 TYR 21 2HE TYR 21 -4.519 -9.831 -2.126 135 HH TYR 21 HH TYR 21 -2.512 -10.192 -4.980 136 H LEU 22 H LEU 22 0.727 -5.809 1.449 137 HA LEU 22 HA LEU 22 -0.336 -4.133 3.628 138 1HB LEU 22 2HB LEU 22 1.327 -5.697 4.449 139 2HB LEU 22 1HB LEU 22 2.453 -5.203 3.200 140 HG LEU 22 HG LEU 22 2.505 -2.924 4.236 141 1HD1 LEU 22 1HD1 LEU 22 1.654 -3.602 6.844 142 2HD1 LEU 22 2HD1 LEU 22 0.341 -4.001 5.735 143 3HD1 LEU 22 3HD1 LEU 22 1.005 -2.366 5.764 144 1HD2 LEU 22 1HD2 LEU 22 4.159 -3.497 5.726 145 2HD2 LEU 22 2HD2 LEU 22 4.055 -4.963 4.750 146 3HD2 LEU 22 3HD2 LEU 22 3.279 -4.900 6.332 147 H CYS 23 H CYS 23 -0.133 -1.965 3.418 148 HA CYS 23 HA CYS 23 0.692 -0.910 0.888 149 1HB CYS 23 2HB CYS 23 -1.221 0.071 2.048 150 2HB CYS 23 1HB CYS 23 -0.189 0.509 3.405 151 H SER 24 H SER 24 2.739 -0.602 0.371 152 HA SER 24 HA SER 24 4.702 -0.134 2.455 153 1HB SER 24 2HB SER 24 6.338 -0.175 0.580 154 2HB SER 24 1HB SER 24 5.333 -1.620 0.636 155 HG SER 24 HG SER 24 4.723 0.616 -0.992 156 H CYS 25 H CYS 25 4.550 1.837 3.252 157 HA CYS 25 HA CYS 25 4.353 4.113 1.397 158 1HB CYS 25 2HB CYS 25 2.619 3.662 3.309 159 2HB CYS 25 1HB CYS 25 3.871 4.310 4.358 160 H ILE 26 H ILE 26 6.756 3.148 1.357 161 HA ILE 26 HA ILE 26 8.338 4.656 3.321 162 HB ILE 26 HB ILE 26 10.239 3.168 2.651 163 1HG1 ILE 26 2HG1 ILE 26 8.144 1.343 1.480 164 2HG1 ILE 26 1HG1 ILE 26 9.043 2.474 0.470 165 1HG2 ILE 26 1HG2 ILE 26 9.705 2.091 4.514 166 2HG2 ILE 26 2HG2 ILE 26 8.520 1.122 3.635 167 3HG2 ILE 26 3HG2 ILE 26 8.043 2.659 4.358 168 1HD1 ILE 26 1HD1 ILE 26 10.513 0.818 0.247 169 2HD1 ILE 26 2HD1 ILE 26 9.860 -0.065 1.629 170 3HD1 ILE 26 3HD1 ILE 26 11.030 1.231 1.882 171 H PHE 27 H PHE 27 10.726 4.808 2.097 172 HA PHE 27 HA PHE 27 10.291 6.938 0.231 173 1HB PHE 27 2HB PHE 27 12.811 5.672 1.300 174 2HB PHE 27 1HB PHE 27 12.801 7.051 0.210 175 HD1 PHE 27 1HD PHE 27 11.118 6.053 3.403 176 HD2 PHE 27 2HD PHE 27 13.123 9.088 1.193 177 HE1 PHE 27 1HE PHE 27 10.929 7.573 5.326 178 HE2 PHE 27 2HE PHE 27 12.938 10.613 3.114 179 HZ PHE 27 HZ PHE 27 11.839 9.856 5.185 180 H PHE 28 H PHE 28 12.145 3.903 0.011 181 HA PHE 28 HA PHE 28 12.684 4.131 -2.740 182 1HB PHE 28 2HB PHE 28 12.726 1.760 -0.874 183 2HB PHE 28 1HB PHE 28 13.199 1.645 -2.566 184 HD1 PHE 28 1HD PHE 28 13.908 3.940 0.308 185 HD2 PHE 28 2HD PHE 28 15.447 1.651 -2.933 186 HE1 PHE 28 1HE PHE 28 16.188 4.660 0.887 187 HE2 PHE 28 2HE PHE 28 17.729 2.367 -2.359 188 HZ PHE 28 HZ PHE 28 18.102 3.874 -0.448 189 H TYR 29 H TYR 29 10.036 2.717 -0.979 190 HA TYR 29 HA TYR 29 8.789 1.977 -3.544 191 1HB TYR 29 2HB TYR 29 8.422 0.783 -0.792 192 2HB TYR 29 1HB TYR 29 7.300 0.490 -2.111 193 HD1 TYR 29 1HD TYR 29 7.519 -1.612 -2.965 194 HD2 TYR 29 2HD TYR 29 11.047 0.461 -1.805 195 HE1 TYR 29 1HE TYR 29 8.876 -3.523 -3.704 196 HE2 TYR 29 2HE TYR 29 12.415 -1.444 -2.546 197 HH TYR 29 HH TYR 29 11.148 -4.478 -3.168 198 HA PRO 30 HA PRO 30 6.214 5.548 -2.599 199 1HB PRO 30 2HB PRO 30 4.696 4.381 -4.876 200 2HB PRO 30 1HB PRO 30 5.280 6.031 -4.643 201 1HG PRO 30 2HG PRO 30 6.491 4.395 -6.359 202 2HG PRO 30 1HG PRO 30 7.430 5.511 -5.347 203 1HD PRO 30 2HD PRO 30 7.007 2.566 -5.035 204 2HD PRO 30 1HD PRO 30 8.471 3.530 -4.751 205 H CYS 31 H CYS 31 4.376 5.757 -1.425 206 HA CYS 31 HA CYS 31 3.289 3.667 -0.032 207 1HB CYS 31 2HB CYS 31 1.941 6.289 -0.677 208 2HB CYS 31 1HB CYS 31 1.515 5.202 0.645 209 H SER 32 H SER 32 2.631 1.935 -1.105 210 HA SER 32 HA SER 32 0.007 2.006 -2.262 211 1HB SER 32 2HB SER 32 0.843 0.757 -4.354 212 2HB SER 32 1HB SER 32 1.103 2.499 -4.302 213 HG SER 32 HG SER 32 3.244 1.869 -3.354 214 H CYS 33 H CYS 33 -0.990 -0.014 -2.201 215 HA CYS 33 HA CYS 33 0.063 -1.846 -0.321 216 1HB CYS 33 2HB CYS 33 -2.162 -2.516 -2.227 217 2HB CYS 33 1HB CYS 33 -1.911 -3.084 -0.587 218 H ARG 34 H ARG 34 1.370 -3.435 -0.565 219 HA ARG 34 HA ARG 34 1.818 -4.592 -3.239 220 1HB ARG 34 2HB ARG 34 3.882 -4.255 -1.039 221 2HB ARG 34 1HB ARG 34 4.177 -4.862 -2.654 222 1HG ARG 34 2HG ARG 34 3.385 -2.064 -1.927 223 2HG ARG 34 1HG ARG 34 4.983 -2.604 -2.440 224 1HD ARG 34 2HD ARG 34 4.039 -3.261 -4.611 225 2HD ARG 34 1HD ARG 34 2.457 -2.685 -4.088 226 HE ARG 34 HE ARG 34 3.134 -0.529 -4.467 227 1HH1 ARG 34 1HH1 ARG 34 5.938 -2.631 -4.556 228 2HH1 ARG 34 2HH1 ARG 34 7.025 -1.372 -5.032 229 1HH2 ARG 34 1HH2 ARG 34 4.550 1.128 -5.076 230 2HH2 ARG 34 2HH2 ARG 34 6.231 0.783 -5.330 231 HA PRO 35 HA PRO 35 0.941 -8.527 -1.441 232 1HB PRO 35 2HB PRO 35 3.252 -10.010 -1.856 233 2HB PRO 35 1HB PRO 35 1.938 -9.815 -3.019 234 1HG PRO 35 2HG PRO 35 4.564 -8.413 -2.866 235 2HG PRO 35 1HG PRO 35 3.636 -8.911 -4.291 236 1HD PRO 35 2HD PRO 35 3.727 -6.355 -3.451 237 2HD PRO 35 1HD PRO 35 2.282 -7.032 -4.209 238 H LYS 36 H LYS 36 1.580 -10.051 0.311 239 HA LYS 36 HA LYS 36 2.762 -8.561 2.465 240 1HB LYS 36 2HB LYS 36 0.764 -10.129 2.649 241 2HB LYS 36 1HB LYS 36 1.912 -11.459 2.525 242 1HG LYS 36 2HG LYS 36 3.037 -10.703 4.543 243 2HG LYS 36 1HG LYS 36 1.934 -9.331 4.656 244 1HD LYS 36 2HD LYS 36 0.047 -10.986 4.778 245 2HD LYS 36 1HD LYS 36 1.263 -12.257 4.916 246 1HE LYS 36 2HE LYS 36 0.452 -11.615 7.114 247 2HE LYS 36 1HE LYS 36 2.151 -11.178 6.930 248 1HZ LYS 36 1HZ LYS 36 0.486 -9.043 6.096 249 2HZ LYS 36 2HZ LYS 36 1.659 -9.065 7.314 250 3HZ LYS 36 3HZ LYS 36 0.069 -9.518 7.667 251 H GLY 37 H GLY 37 4.745 -8.331 1.353 252 1HA GLY 37 2HA GLY 37 6.977 -9.271 2.306 253 2HA GLY 37 1HA GLY 37 6.527 -10.650 1.300 254 H TRP 38 H TRP 38 6.214 -7.161 0.854 255 HA TRP 38 HA TRP 38 6.850 -7.246 -1.891 256 1HB TRP 38 2HB TRP 38 6.872 -4.774 -1.765 257 2HB TRP 38 1HB TRP 38 5.446 -5.471 -1.013 258 HD1 TRP 38 HD TRP 38 4.904 -4.626 1.374 259 HE1 TRP 38 1HE TRP 38 6.125 -3.226 3.143 260 HE3 TRP 38 3HE TRP 38 9.437 -4.245 -0.908 261 HZ2 TRP 38 2HZ TRP 38 8.680 -2.087 3.518 262 HZ3 TRP 38 3HZ TRP 38 11.227 -2.971 0.212 263 HH2 TRP 38 HH TRP 38 10.852 -1.913 2.380 Start of MODEL 17 1 1H LYS 1 1HT LYS 1 -14.592 -4.096 -2.518 2 2H LYS 1 2HT LYS 1 -15.481 -2.713 -2.123 3 3H LYS 1 3HT LYS 1 -14.346 -3.331 -1.031 4 HA LYS 1 HA LYS 1 -13.325 -2.654 -3.655 5 1HB LYS 1 2HB LYS 1 -14.367 -0.634 -1.669 6 2HB LYS 1 1HB LYS 1 -13.116 -0.235 -2.834 7 1HG LYS 1 2HG LYS 1 -14.667 -0.832 -4.655 8 2HG LYS 1 1HG LYS 1 -15.922 -1.125 -3.450 9 1HD LYS 1 2HD LYS 1 -16.171 1.095 -4.420 10 2HD LYS 1 1HD LYS 1 -15.755 1.209 -2.711 11 1HE LYS 1 2HE LYS 1 -13.595 1.307 -4.781 12 2HE LYS 1 1HE LYS 1 -14.565 2.742 -4.465 13 1HZ LYS 1 1HZ LYS 1 -13.900 2.069 -1.986 14 2HZ LYS 1 2HZ LYS 1 -12.953 3.088 -2.943 15 3HZ LYS 1 3HZ LYS 1 -12.546 1.449 -2.798 16 H CYS 2 H CYS 2 -11.145 -2.681 -3.515 17 HA CYS 2 HA CYS 2 -9.778 -1.933 -1.145 18 1HB CYS 2 2HB CYS 2 -8.691 -4.092 -0.680 19 2HB CYS 2 1HB CYS 2 -10.421 -4.150 -0.399 20 H LEU 3 H LEU 3 -7.541 -1.881 -1.380 21 HA LEU 3 HA LEU 3 -6.716 -1.333 -4.083 22 1HB LEU 3 2HB LEU 3 -5.187 -1.244 -1.481 23 2HB LEU 3 1HB LEU 3 -4.631 -0.599 -3.008 24 HG LEU 3 HG LEU 3 -7.026 0.379 -1.463 25 1HD1 LEU 3 1HD1 LEU 3 -4.313 0.882 -1.056 26 2HD1 LEU 3 2HD1 LEU 3 -5.682 1.781 -0.398 27 3HD1 LEU 3 3HD1 LEU 3 -4.931 2.296 -1.909 28 1HD2 LEU 3 1HD2 LEU 3 -7.693 1.215 -3.418 29 2HD2 LEU 3 2HD2 LEU 3 -6.187 0.754 -4.212 30 3HD2 LEU 3 3HD2 LEU 3 -6.291 2.282 -3.338 31 H ALA 4 H ALA 4 -5.615 -2.679 -5.392 32 HA ALA 4 HA ALA 4 -5.029 -5.346 -4.498 33 1HB ALA 4 1HB ALA 4 -3.950 -5.129 -7.020 34 2HB ALA 4 2HB ALA 4 -5.269 -3.958 -7.043 35 3HB ALA 4 3HB ALA 4 -5.592 -5.643 -6.637 36 H GLU 5 H GLU 5 -2.765 -6.030 -5.907 37 HA GLU 5 HA GLU 5 -0.739 -5.149 -4.123 38 1HB GLU 5 2HB GLU 5 0.753 -6.574 -5.586 39 2HB GLU 5 1HB GLU 5 -0.590 -7.399 -4.809 40 1HG GLU 5 2HG GLU 5 -1.856 -7.153 -6.955 41 2HG GLU 5 1HG GLU 5 -0.362 -6.567 -7.687 42 H ALA 6 H ALA 6 0.696 -3.661 -4.316 43 HA ALA 6 HA ALA 6 1.976 -1.956 -5.081 44 1HB ALA 6 1HB ALA 6 2.023 -1.795 -7.759 45 2HB ALA 6 2HB ALA 6 1.541 -3.481 -7.574 46 3HB ALA 6 3HB ALA 6 3.037 -2.906 -6.837 47 H ALA 7 H ALA 7 -0.800 -1.682 -4.466 48 HA ALA 7 HA ALA 7 -1.630 0.431 -6.343 49 1HB ALA 7 1HB ALA 7 -3.634 -0.072 -4.386 50 2HB ALA 7 2HB ALA 7 -3.077 -1.615 -5.032 51 3HB ALA 7 3HB ALA 7 -3.685 -0.370 -6.124 52 H ASP 8 H ASP 8 -1.492 2.501 -5.767 53 HA ASP 8 HA ASP 8 -0.220 3.364 -3.446 54 1HB ASP 8 2HB ASP 8 -0.368 4.691 -5.521 55 2HB ASP 8 1HB ASP 8 -2.085 4.942 -5.234 56 H CYS 9 H CYS 9 -0.861 3.888 -1.450 57 HA CYS 9 HA CYS 9 -3.745 3.833 -0.893 58 1HB CYS 9 2HB CYS 9 -2.713 3.293 1.535 59 2HB CYS 9 1HB CYS 9 -3.220 2.066 0.390 60 H SER 10 H SER 10 -4.610 5.397 0.251 61 HA SER 10 HA SER 10 -3.084 7.810 0.586 62 1HB SER 10 2HB SER 10 -5.957 7.284 1.363 63 2HB SER 10 1HB SER 10 -5.197 8.851 1.078 64 HG SER 10 HG SER 10 -4.750 7.519 -1.099 65 HA PRO 11 HA PRO 11 -1.878 6.970 4.774 66 1HB PRO 11 2HB PRO 11 -0.991 9.465 5.370 67 2HB PRO 11 1HB PRO 11 -0.095 8.346 4.332 68 1HG PRO 11 2HG PRO 11 -1.946 10.575 3.548 69 2HG PRO 11 1HG PRO 11 -0.334 10.204 2.924 70 1HD PRO 11 2HD PRO 11 -2.518 9.470 1.587 71 2HD PRO 11 1HD PRO 11 -1.092 8.413 1.656 72 H TRP 12 H TRP 12 -3.797 9.907 4.126 73 HA TRP 12 HA TRP 12 -4.641 10.103 6.860 74 1HB TRP 12 2HB TRP 12 -5.651 11.540 4.399 75 2HB TRP 12 1HB TRP 12 -6.096 11.935 6.056 76 HD1 TRP 12 HD TRP 12 -4.126 12.992 7.618 77 HE1 TRP 12 1HE TRP 12 -2.072 14.400 6.973 78 HE3 TRP 12 3HE TRP 12 -3.931 11.909 2.624 79 HZ2 TRP 12 2HZ TRP 12 -0.573 14.985 4.654 80 HZ3 TRP 12 3HZ TRP 12 -2.160 12.941 1.262 81 HH2 TRP 12 HH TRP 12 -0.516 14.448 2.259 82 H SER 13 H SER 13 -6.129 9.073 3.824 83 HA SER 13 HA SER 13 -7.785 7.157 5.026 84 1HB SER 13 2HB SER 13 -8.928 9.257 5.875 85 2HB SER 13 1HB SER 13 -9.333 9.625 4.200 86 HG SER 13 HG SER 13 -10.466 7.833 5.918 87 H GLY 14 H GLY 14 -8.627 5.821 3.507 88 1HA GLY 14 2HA GLY 14 -9.344 6.574 0.880 89 2HA GLY 14 1HA GLY 14 -7.715 5.901 0.881 90 H ASP 15 H ASP 15 -8.451 4.096 -0.368 91 HA ASP 15 HA ASP 15 -10.453 2.355 0.792 92 1HB ASP 15 2HB ASP 15 -9.643 2.737 -1.784 93 2HB ASP 15 1HB ASP 15 -8.791 1.261 -1.377 94 H SER 16 H SER 16 -10.045 0.220 1.443 95 HA SER 16 HA SER 16 -7.527 -0.041 2.857 96 1HB SER 16 2HB SER 16 -9.789 -2.030 2.747 97 2HB SER 16 1HB SER 16 -8.507 -1.938 3.948 98 HG SER 16 HG SER 16 -10.054 0.345 3.615 99 H CYS 17 H CYS 17 -5.995 -1.641 2.498 100 HA CYS 17 HA CYS 17 -5.702 -2.503 -0.203 101 1HB CYS 17 2HB CYS 17 -4.152 -3.579 2.158 102 2HB CYS 17 1HB CYS 17 -3.634 -3.476 0.481 103 H CYS 18 H CYS 18 -6.076 -4.493 -1.108 104 HA CYS 18 HA CYS 18 -7.939 -6.270 0.055 105 1HB CYS 18 2HB CYS 18 -5.987 -6.866 -2.188 106 2HB CYS 18 1HB CYS 18 -7.464 -7.745 -1.832 107 H LYS 19 H LYS 19 -7.623 -8.318 0.956 108 HA LYS 19 HA LYS 19 -5.097 -8.553 2.319 109 1HB LYS 19 2HB LYS 19 -7.402 -10.481 2.467 110 2HB LYS 19 1HB LYS 19 -6.109 -10.257 3.622 111 1HG LYS 19 2HG LYS 19 -8.337 -8.333 3.028 112 2HG LYS 19 1HG LYS 19 -8.087 -9.259 4.510 113 1HD LYS 19 2HD LYS 19 -6.105 -8.025 5.027 114 2HD LYS 19 1HD LYS 19 -6.125 -7.229 3.452 115 1HE LYS 19 2HE LYS 19 -8.358 -6.254 4.118 116 2HE LYS 19 1HE LYS 19 -8.036 -6.853 5.746 117 1HZ LYS 19 1HZ LYS 19 -5.873 -5.566 5.564 118 2HZ LYS 19 2HZ LYS 19 -7.287 -4.655 5.747 119 3HZ LYS 19 3HZ LYS 19 -6.560 -4.794 4.223 120 HA PRO 20 HA PRO 20 -4.120 -9.903 3.300 121 1HB PRO 20 2HB PRO 20 -1.866 -11.315 3.587 122 2HB PRO 20 1HB PRO 20 -3.451 -12.096 3.617 123 1HG PRO 20 2HG PRO 20 -1.375 -12.134 1.511 124 2HG PRO 20 1HG PRO 20 -2.643 -13.317 1.860 125 1HD PRO 20 2HD PRO 20 -2.655 -11.226 -0.120 126 2HD PRO 20 1HD PRO 20 -3.917 -12.429 0.211 127 H TYR 21 H TYR 21 -3.349 -8.350 0.806 128 HA TYR 21 HA TYR 21 -0.589 -7.676 1.048 129 1HB TYR 21 2HB TYR 21 -2.729 -5.988 -0.268 130 2HB TYR 21 1HB TYR 21 -0.994 -5.940 -0.551 131 HD1 TYR 21 1HD TYR 21 -4.088 -7.790 -1.226 132 HD2 TYR 21 2HD TYR 21 0.110 -7.635 -1.879 133 HE1 TYR 21 1HE TYR 21 -4.311 -9.456 -3.020 134 HE2 TYR 21 2HE TYR 21 -0.101 -9.296 -3.676 135 HH TYR 21 HH TYR 21 -1.766 -10.149 -5.214 136 H LEU 22 H LEU 22 0.289 -5.629 1.646 137 HA LEU 22 HA LEU 22 -1.253 -4.231 3.730 138 1HB LEU 22 2HB LEU 22 0.294 -5.852 4.732 139 2HB LEU 22 1HB LEU 22 1.628 -5.122 3.862 140 HG LEU 22 HG LEU 22 1.157 -2.993 5.135 141 1HD1 LEU 22 1HD1 LEU 22 -0.051 -3.514 7.358 142 2HD1 LEU 22 2HD1 LEU 22 -0.782 -4.842 6.455 143 3HD1 LEU 22 3HD1 LEU 22 -1.012 -3.177 5.918 144 1HD2 LEU 22 1HD2 LEU 22 2.086 -5.532 6.417 145 2HD2 LEU 22 2HD2 LEU 22 2.056 -4.024 7.332 146 3HD2 LEU 22 3HD2 LEU 22 3.029 -4.148 5.866 147 H CYS 23 H CYS 23 -0.959 -2.035 3.849 148 HA CYS 23 HA CYS 23 0.176 -0.710 1.589 149 1HB CYS 23 2HB CYS 23 -1.799 0.206 2.719 150 2HB CYS 23 1HB CYS 23 -0.867 0.422 4.197 151 H SER 24 H SER 24 2.201 -0.059 1.323 152 HA SER 24 HA SER 24 3.879 0.339 3.701 153 1HB SER 24 2HB SER 24 5.752 -0.779 2.470 154 2HB SER 24 1HB SER 24 4.408 -1.865 2.819 155 HG SER 24 HG SER 24 3.885 -0.772 0.492 156 H CYS 25 H CYS 25 5.112 2.145 3.628 157 HA CYS 25 HA CYS 25 5.164 3.632 1.091 158 1HB CYS 25 2HB CYS 25 3.831 4.453 3.265 159 2HB CYS 25 1HB CYS 25 5.423 5.074 3.686 160 H ILE 26 H ILE 26 7.143 2.706 0.514 161 HA ILE 26 HA ILE 26 9.423 3.131 2.270 162 HB ILE 26 HB ILE 26 10.722 1.933 0.463 163 1HG1 ILE 26 2HG1 ILE 26 8.849 2.362 -1.281 164 2HG1 ILE 26 1HG1 ILE 26 9.674 0.810 -1.292 165 1HG2 ILE 26 1HG2 ILE 26 8.655 0.804 2.233 166 2HG2 ILE 26 2HG2 ILE 26 10.402 0.559 2.213 167 3HG2 ILE 26 3HG2 ILE 26 9.379 -0.291 1.055 168 1HD1 ILE 26 1HD1 ILE 26 7.110 0.884 -1.539 169 2HD1 ILE 26 2HD1 ILE 26 7.109 1.146 0.205 170 3HD1 ILE 26 3HD1 ILE 26 7.830 -0.317 -0.465 171 H PHE 27 H PHE 27 11.473 3.488 0.531 172 HA PHE 27 HA PHE 27 11.334 6.294 0.087 173 1HB PHE 27 2HB PHE 27 13.467 4.238 -0.452 174 2HB PHE 27 1HB PHE 27 13.675 5.941 -0.834 175 HD1 PHE 27 1HD PHE 27 12.386 4.002 2.103 176 HD2 PHE 27 2HD PHE 27 14.995 7.042 0.664 177 HE1 PHE 27 1HE PHE 27 13.160 4.420 4.399 178 HE2 PHE 27 2HE PHE 27 15.773 7.464 2.958 179 HZ PHE 27 HZ PHE 27 14.855 6.153 4.830 180 H PHE 28 H PHE 28 12.240 3.713 -2.216 181 HA PHE 28 HA PHE 28 11.999 5.390 -4.470 182 1HB PHE 28 2HB PHE 28 13.371 3.276 -4.317 183 2HB PHE 28 1HB PHE 28 11.870 2.373 -4.491 184 HD1 PHE 28 1HD PHE 28 12.989 5.475 -6.217 185 HD2 PHE 28 2HD PHE 28 12.016 1.347 -6.560 186 HE1 PHE 28 1HE PHE 28 13.180 5.639 -8.665 187 HE2 PHE 28 2HE PHE 28 12.205 1.501 -9.009 188 HZ PHE 28 HZ PHE 28 12.787 3.649 -10.065 189 H TYR 29 H TYR 29 9.785 3.094 -2.991 190 HA TYR 29 HA TYR 29 7.733 3.882 -4.944 191 1HB TYR 29 2HB TYR 29 7.911 1.481 -3.117 192 2HB TYR 29 1HB TYR 29 6.444 1.916 -3.980 193 HD1 TYR 29 1HD TYR 29 10.047 1.144 -4.602 194 HD2 TYR 29 2HD TYR 29 6.057 1.027 -6.072 195 HE1 TYR 29 1HE TYR 29 10.807 -0.155 -6.546 196 HE2 TYR 29 2HE TYR 29 6.806 -0.271 -8.019 197 HH TYR 29 HH TYR 29 9.654 -0.434 -9.142 198 HA PRO 30 HA PRO 30 5.997 6.347 -1.674 199 1HB PRO 30 2HB PRO 30 3.540 6.364 -3.281 200 2HB PRO 30 1HB PRO 30 4.587 7.710 -2.830 201 1HG PRO 30 2HG PRO 30 4.455 6.785 -5.357 202 2HG PRO 30 1HG PRO 30 5.952 7.438 -4.666 203 1HD PRO 30 2HD PRO 30 5.136 4.585 -5.068 204 2HD PRO 30 1HD PRO 30 6.719 5.352 -5.324 205 H CYS 31 H CYS 31 3.439 6.408 -0.864 206 HA CYS 31 HA CYS 31 3.154 4.036 0.622 207 1HB CYS 31 2HB CYS 31 1.169 6.255 0.072 208 2HB CYS 31 1HB CYS 31 0.917 4.973 1.246 209 H SER 32 H SER 32 2.819 2.164 -0.415 210 HA SER 32 HA SER 32 0.417 1.932 -2.059 211 1HB SER 32 2HB SER 32 1.863 0.461 -3.642 212 2HB SER 32 1HB SER 32 1.962 2.209 -3.810 213 HG SER 32 HG SER 32 3.851 2.121 -2.459 214 H CYS 33 H CYS 33 -0.626 0.029 -1.834 215 HA CYS 33 HA CYS 33 0.200 -1.766 0.233 216 1HB CYS 33 2HB CYS 33 -1.949 -2.332 -1.810 217 2HB CYS 33 1HB CYS 33 -1.816 -2.947 -0.176 218 H ARG 34 H ARG 34 1.600 -3.325 -0.016 219 HA ARG 34 HA ARG 34 1.965 -4.533 -2.686 220 1HB ARG 34 2HB ARG 34 4.168 -4.470 -0.633 221 2HB ARG 34 1HB ARG 34 4.289 -4.668 -2.371 222 1HG ARG 34 2HG ARG 34 3.694 -2.117 -0.892 223 2HG ARG 34 1HG ARG 34 5.198 -2.543 -1.703 224 1HD ARG 34 2HD ARG 34 2.525 -2.178 -3.054 225 2HD ARG 34 1HD ARG 34 3.807 -0.973 -2.999 226 HE ARG 34 HE ARG 34 3.578 -3.088 -4.826 227 1HH1 ARG 34 1HH1 ARG 34 5.994 -1.392 -2.952 228 2HH1 ARG 34 2HH1 ARG 34 7.297 -1.796 -4.021 229 1HH2 ARG 34 1HH2 ARG 34 5.291 -3.623 -6.250 230 2HH2 ARG 34 2HH2 ARG 34 6.895 -3.070 -5.903 231 HA PRO 35 HA PRO 35 1.176 -8.576 -1.098 232 1HB PRO 35 2HB PRO 35 4.080 -9.226 -1.307 233 2HB PRO 35 1HB PRO 35 2.678 -10.131 -1.890 234 1HG PRO 35 2HG PRO 35 4.194 -8.701 -3.559 235 2HG PRO 35 1HG PRO 35 2.437 -8.806 -3.767 236 1HD PRO 35 2HD PRO 35 4.091 -6.544 -2.789 237 2HD PRO 35 1HD PRO 35 2.533 -6.527 -3.630 238 H LYS 36 H LYS 36 1.573 -10.025 0.732 239 HA LYS 36 HA LYS 36 2.318 -8.548 3.076 240 1HB LYS 36 2HB LYS 36 0.404 -10.162 2.965 241 2HB LYS 36 1HB LYS 36 1.575 -11.470 2.853 242 1HG LYS 36 2HG LYS 36 0.757 -11.251 5.123 243 2HG LYS 36 1HG LYS 36 2.473 -10.848 5.047 244 1HD LYS 36 2HD LYS 36 1.913 -8.465 5.027 245 2HD LYS 36 1HD LYS 36 0.196 -8.867 5.092 246 1HE LYS 36 2HE LYS 36 2.255 -9.544 7.191 247 2HE LYS 36 1HE LYS 36 1.064 -8.248 7.296 248 1HZ LYS 36 1HZ LYS 36 0.151 -10.016 8.489 249 2HZ LYS 36 2HZ LYS 36 0.601 -11.168 7.336 250 3HZ LYS 36 3HZ LYS 36 -0.647 -10.077 6.999 251 H GLY 37 H GLY 37 4.469 -8.204 2.286 252 1HA GLY 37 2HA GLY 37 6.610 -8.814 3.431 253 2HA GLY 37 1HA GLY 37 6.305 -10.450 2.850 254 H TRP 38 H TRP 38 5.413 -7.789 0.873 255 HA TRP 38 HA TRP 38 6.163 -6.874 -1.041 256 1HB TRP 38 2HB TRP 38 8.687 -7.745 0.195 257 2HB TRP 38 1HB TRP 38 8.737 -7.578 -1.555 258 HD1 TRP 38 HD TRP 38 9.386 -5.274 -2.353 259 HE1 TRP 38 1HE TRP 38 9.351 -2.889 -1.397 260 HE3 TRP 38 3HE TRP 38 7.028 -6.207 2.085 261 HZ2 TRP 38 2HZ TRP 38 8.443 -1.576 0.925 262 HZ3 TRP 38 3HZ TRP 38 6.619 -4.332 3.618 263 HH2 TRP 38 HH TRP 38 7.311 -2.064 3.047 Start of MODEL 18 1 1H LYS 1 1HT LYS 1 -13.862 -4.582 -2.745 2 2H LYS 1 2HT LYS 1 -15.329 -3.854 -2.323 3 3H LYS 1 3HT LYS 1 -14.183 -4.201 -1.128 4 HA LYS 1 HA LYS 1 -13.489 -2.406 -3.349 5 1HB LYS 1 2HB LYS 1 -15.684 -1.757 -2.195 6 2HB LYS 1 1HB LYS 1 -14.733 -1.522 -0.737 7 1HG LYS 1 2HG LYS 1 -15.053 0.605 -1.737 8 2HG LYS 1 1HG LYS 1 -13.367 0.153 -1.990 9 1HD LYS 1 2HD LYS 1 -13.797 -0.442 -4.268 10 2HD LYS 1 1HD LYS 1 -15.538 -0.269 -4.039 11 1HE LYS 1 2HE LYS 1 -14.680 1.660 -5.216 12 2HE LYS 1 1HE LYS 1 -15.220 2.137 -3.608 13 1HZ LYS 1 1HZ LYS 1 -13.219 2.991 -3.259 14 2HZ LYS 1 2HZ LYS 1 -12.678 2.454 -4.765 15 3HZ LYS 1 3HZ LYS 1 -12.523 1.456 -3.406 16 H CYS 2 H CYS 2 -11.328 -2.848 -3.144 17 HA CYS 2 HA CYS 2 -9.958 -1.816 -0.844 18 1HB CYS 2 2HB CYS 2 -8.747 -3.929 -0.340 19 2HB CYS 2 1HB CYS 2 -10.459 -4.004 0.053 20 H LEU 3 H LEU 3 -7.662 -1.795 -1.145 21 HA LEU 3 HA LEU 3 -6.966 -1.284 -3.889 22 1HB LEU 3 2HB LEU 3 -5.269 -1.200 -1.398 23 2HB LEU 3 1HB LEU 3 -4.861 -0.507 -2.951 24 HG LEU 3 HG LEU 3 -7.161 0.378 -1.221 25 1HD1 LEU 3 1HD1 LEU 3 -4.492 0.845 -0.789 26 2HD1 LEU 3 2HD1 LEU 3 -5.824 1.844 -0.206 27 3HD1 LEU 3 3HD1 LEU 3 -4.999 2.262 -1.708 28 1HD2 LEU 3 1HD2 LEU 3 -6.610 0.776 -3.977 29 2HD2 LEU 3 2HD2 LEU 3 -6.352 2.309 -3.143 30 3HD2 LEU 3 3HD2 LEU 3 -7.902 1.479 -3.004 31 H ALA 4 H ALA 4 -6.168 -2.773 -5.232 32 HA ALA 4 HA ALA 4 -5.376 -5.362 -4.276 33 1HB ALA 4 1HB ALA 4 -5.899 -6.040 -6.326 34 2HB ALA 4 2HB ALA 4 -4.842 -4.846 -7.079 35 3HB ALA 4 3HB ALA 4 -6.479 -4.399 -6.602 36 H GLU 5 H GLU 5 -3.495 -5.919 -6.320 37 HA GLU 5 HA GLU 5 -1.075 -5.450 -4.971 38 1HB GLU 5 2HB GLU 5 -1.285 -7.428 -6.253 39 2HB GLU 5 1HB GLU 5 -1.767 -6.541 -7.691 40 1HG GLU 5 2HG GLU 5 0.465 -7.340 -7.985 41 2HG GLU 5 1HG GLU 5 0.512 -5.587 -7.812 42 H ALA 6 H ALA 6 0.314 -3.866 -5.076 43 HA ALA 6 HA ALA 6 1.370 -1.932 -5.629 44 1HB ALA 6 1HB ALA 6 2.370 -2.342 -7.574 45 2HB ALA 6 2HB ALA 6 0.978 -1.619 -8.381 46 3HB ALA 6 3HB ALA 6 1.033 -3.361 -8.107 47 H ALA 7 H ALA 7 -1.206 -1.656 -4.682 48 HA ALA 7 HA ALA 7 -2.397 0.376 -6.449 49 1HB ALA 7 1HB ALA 7 -3.791 -0.476 -3.977 50 2HB ALA 7 2HB ALA 7 -3.660 -1.638 -5.297 51 3HB ALA 7 3HB ALA 7 -4.438 -0.080 -5.570 52 H ASP 8 H ASP 8 -2.354 2.487 -5.990 53 HA ASP 8 HA ASP 8 -0.764 3.479 -3.889 54 1HB ASP 8 2HB ASP 8 -1.602 5.706 -4.569 55 2HB ASP 8 1HB ASP 8 -1.054 4.748 -5.938 56 H CYS 9 H CYS 9 -1.215 4.149 -1.878 57 HA CYS 9 HA CYS 9 -3.882 3.544 -0.871 58 1HB CYS 9 2HB CYS 9 -1.563 4.436 0.815 59 2HB CYS 9 1HB CYS 9 -2.949 3.465 1.284 60 H SER 10 H SER 10 -5.040 4.997 0.447 61 HA SER 10 HA SER 10 -4.898 7.718 -0.477 62 1HB SER 10 2HB SER 10 -6.717 6.549 1.638 63 2HB SER 10 1HB SER 10 -6.976 8.019 0.697 64 HG SER 10 HG SER 10 -6.609 6.111 -1.058 65 HA PRO 11 HA PRO 11 -2.182 9.161 2.704 66 1HB PRO 11 2HB PRO 11 -2.873 11.820 2.554 67 2HB PRO 11 1HB PRO 11 -1.755 11.011 1.451 68 1HG PRO 11 2HG PRO 11 -4.661 11.628 1.088 69 2HG PRO 11 1HG PRO 11 -3.333 11.780 -0.073 70 1HD PRO 11 2HD PRO 11 -5.030 9.716 -0.163 71 2HD PRO 11 1HD PRO 11 -3.305 9.508 -0.531 72 H TRP 12 H TRP 12 -5.367 10.811 2.796 73 HA TRP 12 HA TRP 12 -5.190 10.920 5.689 74 1HB TRP 12 2HB TRP 12 -7.383 11.927 3.865 75 2HB TRP 12 1HB TRP 12 -7.224 12.274 5.583 76 HD1 TRP 12 HD TRP 12 -5.082 13.854 6.289 77 HE1 TRP 12 1HE TRP 12 -3.928 15.738 4.970 78 HE3 TRP 12 3HE TRP 12 -6.773 12.716 1.600 79 HZ2 TRP 12 2HZ TRP 12 -3.763 16.630 2.297 80 HZ3 TRP 12 3HZ TRP 12 -6.076 14.139 -0.282 81 HH2 TRP 12 HH TRP 12 -4.603 16.056 0.061 82 H SER 13 H SER 13 -7.628 9.781 3.357 83 HA SER 13 HA SER 13 -8.094 7.367 4.838 84 1HB SER 13 2HB SER 13 -10.271 9.478 4.753 85 2HB SER 13 1HB SER 13 -10.496 7.815 5.289 86 HG SER 13 HG SER 13 -8.420 8.954 6.586 87 H GLY 14 H GLY 14 -9.248 5.850 3.622 88 1HA GLY 14 2HA GLY 14 -10.823 6.346 1.389 89 2HA GLY 14 1HA GLY 14 -9.167 6.199 0.816 90 H ASP 15 H ASP 15 -9.449 4.302 -0.286 91 HA ASP 15 HA ASP 15 -10.732 2.015 0.804 92 1HB ASP 15 2HB ASP 15 -9.009 2.506 -1.588 93 2HB ASP 15 1HB ASP 15 -9.349 0.857 -1.096 94 H SER 16 H SER 16 -9.865 0.117 1.536 95 HA SER 16 HA SER 16 -7.208 0.355 2.742 96 1HB SER 16 2HB SER 16 -9.354 -1.693 3.324 97 2HB SER 16 1HB SER 16 -7.898 -1.391 4.265 98 HG SER 16 HG SER 16 -9.445 0.840 3.888 99 H CYS 17 H CYS 17 -5.700 -1.366 2.494 100 HA CYS 17 HA CYS 17 -5.558 -2.442 -0.099 101 1HB CYS 17 2HB CYS 17 -4.059 -3.364 2.367 102 2HB CYS 17 1HB CYS 17 -3.610 -3.689 0.699 103 H CYS 18 H CYS 18 -5.950 -4.468 -0.910 104 HA CYS 18 HA CYS 18 -7.916 -6.094 0.360 105 1HB CYS 18 2HB CYS 18 -6.115 -6.759 -1.991 106 2HB CYS 18 1HB CYS 18 -7.556 -7.647 -1.521 107 H LYS 19 H LYS 19 -7.650 -8.066 1.367 108 HA LYS 19 HA LYS 19 -5.107 -8.420 2.633 109 1HB LYS 19 2HB LYS 19 -6.227 -10.285 3.796 110 2HB LYS 19 1HB LYS 19 -7.114 -8.782 3.922 111 1HG LYS 19 2HG LYS 19 -8.665 -9.534 2.210 112 2HG LYS 19 1HG LYS 19 -7.750 -11.030 2.022 113 1HD LYS 19 2HD LYS 19 -8.234 -11.603 4.362 114 2HD LYS 19 1HD LYS 19 -9.173 -10.118 4.523 115 1HE LYS 19 2HE LYS 19 -10.716 -10.898 2.802 116 2HE LYS 19 1HE LYS 19 -9.766 -12.369 2.603 117 1HZ LYS 19 1HZ LYS 19 -10.554 -11.906 5.321 118 2HZ LYS 19 2HZ LYS 19 -10.725 -13.293 4.370 119 3HZ LYS 19 3HZ LYS 19 -11.879 -12.060 4.279 120 HA PRO 20 HA PRO 20 -3.930 -9.581 3.468 121 1HB PRO 20 2HB PRO 20 -1.744 -11.096 3.665 122 2HB PRO 20 1HB PRO 20 -3.355 -11.789 3.876 123 1HG PRO 20 2HG PRO 20 -1.457 -12.112 1.641 124 2HG PRO 20 1HG PRO 20 -2.804 -13.153 2.130 125 1HD PRO 20 2HD PRO 20 -2.745 -11.097 0.072 126 2HD PRO 20 1HD PRO 20 -4.033 -12.264 0.441 127 H TYR 21 H TYR 21 -3.428 -7.977 1.090 128 HA TYR 21 HA TYR 21 -0.562 -7.551 0.972 129 1HB TYR 21 2HB TYR 21 -2.769 -5.862 -0.269 130 2HB TYR 21 1HB TYR 21 -1.049 -5.725 -0.583 131 HD1 TYR 21 1HD TYR 21 -3.625 -8.460 -0.651 132 HD2 TYR 21 2HD TYR 21 -0.328 -6.576 -2.565 133 HE1 TYR 21 1HE TYR 21 -3.801 -10.055 -2.514 134 HE2 TYR 21 2HE TYR 21 -0.496 -8.164 -4.430 135 HH TYR 21 HH TYR 21 -1.508 -9.957 -5.230 136 H LEU 22 H LEU 22 0.522 -5.725 1.618 137 HA LEU 22 HA LEU 22 -0.837 -4.116 3.680 138 1HB LEU 22 2HB LEU 22 0.764 -5.671 4.663 139 2HB LEU 22 1HB LEU 22 2.016 -5.105 3.576 140 HG LEU 22 HG LEU 22 1.869 -2.861 4.671 141 1HD1 LEU 22 1HD1 LEU 22 0.626 -3.832 7.094 142 2HD1 LEU 22 2HD1 LEU 22 -0.488 -3.870 5.729 143 3HD1 LEU 22 3HD1 LEU 22 0.309 -2.361 6.174 144 1HD2 LEU 22 1HD2 LEU 22 3.043 -5.260 5.619 145 2HD2 LEU 22 2HD2 LEU 22 2.520 -4.322 7.018 146 3HD2 LEU 22 3HD2 LEU 22 3.607 -3.603 5.830 147 H CYS 23 H CYS 23 -0.532 -1.907 3.586 148 HA CYS 23 HA CYS 23 0.363 -0.834 1.107 149 1HB CYS 23 2HB CYS 23 -1.448 0.229 2.368 150 2HB CYS 23 1HB CYS 23 -0.333 0.598 3.678 151 H SER 24 H SER 24 2.432 -0.889 0.623 152 HA SER 24 HA SER 24 4.451 -0.442 2.662 153 1HB SER 24 2HB SER 24 6.049 -0.935 0.797 154 2HB SER 24 1HB SER 24 4.896 -2.232 1.099 155 HG SER 24 HG SER 24 3.831 -0.572 -0.692 156 H CYS 25 H CYS 25 5.500 1.440 2.942 157 HA CYS 25 HA CYS 25 5.315 3.469 0.838 158 1HB CYS 25 2HB CYS 25 3.600 3.689 2.825 159 2HB CYS 25 1HB CYS 25 4.998 4.305 3.700 160 H ILE 26 H ILE 26 7.486 2.300 0.749 161 HA ILE 26 HA ILE 26 9.421 3.094 2.725 162 HB ILE 26 HB ILE 26 11.082 2.014 1.173 163 1HG1 ILE 26 2HG1 ILE 26 9.458 2.313 -0.849 164 2HG1 ILE 26 1HG1 ILE 26 10.455 0.869 -0.750 165 1HG2 ILE 26 1HG2 ILE 26 9.114 -0.102 1.637 166 2HG2 ILE 26 2HG2 ILE 26 9.410 0.944 3.026 167 3HG2 ILE 26 3HG2 ILE 26 10.751 0.091 2.263 168 1HD1 ILE 26 1HD1 ILE 26 7.652 0.885 0.303 169 2HD1 ILE 26 2HD1 ILE 26 8.646 -0.484 -0.196 170 3HD1 ILE 26 3HD1 ILE 26 7.992 0.619 -1.408 171 H PHE 27 H PHE 27 11.645 3.668 1.286 172 HA PHE 27 HA PHE 27 11.371 6.433 0.871 173 1HB PHE 27 2HB PHE 27 13.603 4.495 0.335 174 2HB PHE 27 1HB PHE 27 13.754 6.206 -0.031 175 HD1 PHE 27 1HD PHE 27 12.436 4.224 2.861 176 HD2 PHE 27 2HD PHE 27 15.017 7.326 1.507 177 HE1 PHE 27 1HE PHE 27 13.125 4.658 5.182 178 HE2 PHE 27 2HE PHE 27 15.710 7.765 3.826 179 HZ PHE 27 HZ PHE 27 14.765 6.430 5.667 180 H PHE 28 H PHE 28 12.362 3.967 -1.517 181 HA PHE 28 HA PHE 28 12.092 5.791 -3.682 182 1HB PHE 28 2HB PHE 28 13.686 3.846 -3.605 183 2HB PHE 28 1HB PHE 28 12.306 2.786 -3.867 184 HD1 PHE 28 1HD PHE 28 13.182 6.068 -5.396 185 HD2 PHE 28 2HD PHE 28 12.526 1.906 -5.990 186 HE1 PHE 28 1HE PHE 28 13.407 6.384 -7.825 187 HE2 PHE 28 2HE PHE 28 12.749 2.214 -8.421 188 HZ PHE 28 HZ PHE 28 13.192 4.454 -9.340 189 H TYR 29 H TYR 29 10.033 3.255 -2.370 190 HA TYR 29 HA TYR 29 8.071 3.844 -4.475 191 1HB TYR 29 2HB TYR 29 8.261 1.509 -2.571 192 2HB TYR 29 1HB TYR 29 6.881 1.799 -3.622 193 HD1 TYR 29 1HD TYR 29 6.827 0.773 -5.676 194 HD2 TYR 29 2HD TYR 29 10.598 1.405 -3.815 195 HE1 TYR 29 1HE TYR 29 7.919 -0.493 -7.476 196 HE2 TYR 29 2HE TYR 29 11.703 0.144 -5.615 197 HH TYR 29 HH TYR 29 11.340 -0.561 -7.861 198 HA PRO 30 HA PRO 30 5.836 6.199 -1.439 199 1HB PRO 30 2HB PRO 30 3.681 6.746 -2.991 200 2HB PRO 30 1HB PRO 30 5.230 7.576 -3.182 201 1HG PRO 30 2HG PRO 30 4.084 5.313 -4.765 202 2HG PRO 30 1HG PRO 30 4.969 6.741 -5.331 203 1HD PRO 30 2HD PRO 30 6.119 4.290 -5.049 204 2HD PRO 30 1HD PRO 30 7.017 5.807 -4.862 205 H CYS 31 H CYS 31 3.562 6.183 -0.557 206 HA CYS 31 HA CYS 31 2.915 3.730 0.512 207 1HB CYS 31 2HB CYS 31 1.164 6.155 0.081 208 2HB CYS 31 1HB CYS 31 0.672 4.766 1.035 209 H SER 32 H SER 32 2.498 1.989 -0.672 210 HA SER 32 HA SER 32 0.096 1.930 -2.286 211 1HB SER 32 2HB SER 32 1.391 0.775 -4.172 212 2HB SER 32 1HB SER 32 1.585 2.523 -4.037 213 HG SER 32 HG SER 32 3.536 2.065 -2.820 214 H CYS 33 H CYS 33 -0.903 -0.003 -2.145 215 HA CYS 33 HA CYS 33 -0.017 -1.901 -0.263 216 1HB CYS 33 2HB CYS 33 -2.117 -2.392 -2.370 217 2HB CYS 33 1HB CYS 33 -1.967 -3.158 -0.806 218 H ARG 34 H ARG 34 1.162 -3.570 -0.417 219 HA ARG 34 HA ARG 34 1.727 -4.901 -2.967 220 1HB ARG 34 2HB ARG 34 3.761 -3.884 -0.958 221 2HB ARG 34 1HB ARG 34 4.130 -5.114 -2.154 222 1HG ARG 34 2HG ARG 34 3.167 -2.346 -2.826 223 2HG ARG 34 1HG ARG 34 4.864 -2.832 -2.774 224 1HD ARG 34 2HD ARG 34 4.245 -4.647 -4.426 225 2HD ARG 34 1HD ARG 34 2.701 -3.818 -4.615 226 HE ARG 34 HE ARG 34 4.705 -1.931 -4.991 227 1HH1 ARG 34 1HH1 ARG 34 3.442 -4.814 -6.522 228 2HH1 ARG 34 2HH1 ARG 34 4.031 -4.380 -8.102 229 1HH2 ARG 34 1HH2 ARG 34 5.467 -1.344 -7.076 230 2HH2 ARG 34 2HH2 ARG 34 5.178 -2.400 -8.418 231 HA PRO 35 HA PRO 35 1.099 -8.665 -0.738 232 1HB PRO 35 2HB PRO 35 3.892 -9.504 -1.286 233 2HB PRO 35 1HB PRO 35 2.374 -10.334 -1.643 234 1HG PRO 35 2HG PRO 35 3.826 -9.119 -3.556 235 2HG PRO 35 1HG PRO 35 2.057 -9.198 -3.611 236 1HD PRO 35 2HD PRO 35 3.826 -6.899 -2.989 237 2HD PRO 35 1HD PRO 35 2.202 -6.921 -3.697 238 H LYS 36 H LYS 36 1.420 -9.501 1.325 239 HA LYS 36 HA LYS 36 2.991 -7.870 3.085 240 1HB LYS 36 2HB LYS 36 0.790 -8.783 3.755 241 2HB LYS 36 1HB LYS 36 1.452 -10.409 3.668 242 1HG LYS 36 2HG LYS 36 3.155 -9.622 5.400 243 2HG LYS 36 1HG LYS 36 2.090 -8.235 5.630 244 1HD LYS 36 2HD LYS 36 1.573 -9.943 7.265 245 2HD LYS 36 1HD LYS 36 0.232 -9.785 6.127 246 1HE LYS 36 2HE LYS 36 1.023 -11.740 4.904 247 2HE LYS 36 1HE LYS 36 2.397 -11.884 5.998 248 1HZ LYS 36 1HZ LYS 36 1.150 -12.867 7.548 249 2HZ LYS 36 2HZ LYS 36 0.044 -13.155 6.301 250 3HZ LYS 36 3HZ LYS 36 -0.162 -11.822 7.323 251 H GLY 37 H GLY 37 5.100 -8.159 2.597 252 1HA GLY 37 2HA GLY 37 7.049 -9.334 3.493 253 2HA GLY 37 1HA GLY 37 6.223 -10.842 3.104 254 H TRP 38 H TRP 38 6.534 -7.888 1.228 255 HA TRP 38 HA TRP 38 7.203 -9.312 -1.151 256 1HB TRP 38 2HB TRP 38 7.101 -7.190 -2.240 257 2HB TRP 38 1HB TRP 38 5.833 -7.180 -1.021 258 HD1 TRP 38 HD TRP 38 8.983 -5.399 -2.063 259 HE1 TRP 38 1HE TRP 38 9.400 -3.387 -0.524 260 HE3 TRP 38 3HE TRP 38 5.460 -6.359 1.516 261 HZ2 TRP 38 2HZ TRP 38 8.378 -2.338 1.886 262 HZ3 TRP 38 3HZ TRP 38 5.246 -4.802 3.407 263 HH2 TRP 38 HH TRP 38 6.676 -2.833 3.587 Start of MODEL 19 1 1H LYS 1 1HT LYS 1 -14.047 -0.024 -1.801 2 2H LYS 1 2HT LYS 1 -14.026 0.599 -3.369 3 3H LYS 1 3HT LYS 1 -12.693 0.836 -2.349 4 HA LYS 1 HA LYS 1 -13.486 -1.929 -2.850 5 1HB LYS 1 2HB LYS 1 -13.688 -0.901 -5.079 6 2HB LYS 1 1HB LYS 1 -12.092 -0.185 -4.904 7 1HG LYS 1 2HG LYS 1 -11.165 -2.503 -4.729 8 2HG LYS 1 1HG LYS 1 -12.769 -3.104 -5.148 9 1HD LYS 1 2HD LYS 1 -12.683 -1.952 -7.275 10 2HD LYS 1 1HD LYS 1 -11.133 -1.223 -6.847 11 1HE LYS 1 2HE LYS 1 -10.134 -3.468 -6.721 12 2HE LYS 1 1HE LYS 1 -11.678 -4.170 -7.199 13 1HZ LYS 1 1HZ LYS 1 -10.210 -2.205 -8.865 14 2HZ LYS 1 2HZ LYS 1 -11.522 -3.170 -9.319 15 3HZ LYS 1 3HZ LYS 1 -10.016 -3.878 -9.023 16 H CYS 2 H CYS 2 -11.619 -3.297 -2.528 17 HA CYS 2 HA CYS 2 -9.650 -2.006 -0.891 18 1HB CYS 2 2HB CYS 2 -8.689 -4.225 -0.554 19 2HB CYS 2 1HB CYS 2 -10.417 -4.222 -0.265 20 H LEU 3 H LEU 3 -7.521 -1.871 -1.210 21 HA LEU 3 HA LEU 3 -6.709 -1.375 -3.928 22 1HB LEU 3 2HB LEU 3 -5.223 -1.121 -1.316 23 2HB LEU 3 1HB LEU 3 -4.695 -0.481 -2.854 24 HG LEU 3 HG LEU 3 -7.241 0.354 -1.477 25 1HD1 LEU 3 1HD1 LEU 3 -5.084 2.302 -1.645 26 2HD1 LEU 3 2HD1 LEU 3 -4.718 0.928 -0.602 27 3HD1 LEU 3 3HD1 LEU 3 -6.156 1.904 -0.304 28 1HD2 LEU 3 1HD2 LEU 3 -7.012 0.587 -4.000 29 2HD2 LEU 3 2HD2 LEU 3 -5.763 1.786 -3.665 30 3HD2 LEU 3 3HD2 LEU 3 -7.411 2.048 -3.096 31 H ALA 4 H ALA 4 -5.564 -2.724 -5.190 32 HA ALA 4 HA ALA 4 -4.844 -5.320 -4.201 33 1HB ALA 4 1HB ALA 4 -4.780 -5.958 -6.364 34 2HB ALA 4 2HB ALA 4 -3.909 -4.514 -6.878 35 3HB ALA 4 3HB ALA 4 -5.651 -4.445 -6.612 36 H GLU 5 H GLU 5 -2.562 -6.010 -5.508 37 HA GLU 5 HA GLU 5 -0.589 -4.847 -3.813 38 1HB GLU 5 2HB GLU 5 0.972 -6.403 -5.048 39 2HB GLU 5 1HB GLU 5 -0.348 -7.156 -4.169 40 1HG GLU 5 2HG GLU 5 -1.599 -7.304 -6.317 41 2HG GLU 5 1HG GLU 5 -0.143 -6.730 -7.136 42 H ALA 6 H ALA 6 0.856 -3.428 -4.198 43 HA ALA 6 HA ALA 6 2.093 -1.795 -5.142 44 1HB ALA 6 1HB ALA 6 3.014 -3.254 -6.756 45 2HB ALA 6 2HB ALA 6 2.460 -1.841 -7.653 46 3HB ALA 6 3HB ALA 6 1.507 -3.325 -7.668 47 H ALA 7 H ALA 7 -0.669 -1.529 -4.544 48 HA ALA 7 HA ALA 7 -1.492 0.473 -6.549 49 1HB ALA 7 1HB ALA 7 -3.680 -0.041 -6.205 50 2HB ALA 7 2HB ALA 7 -3.431 -0.444 -4.505 51 3HB ALA 7 3HB ALA 7 -2.981 -1.599 -5.760 52 H ASP 8 H ASP 8 -1.709 2.574 -5.924 53 HA ASP 8 HA ASP 8 -0.441 3.486 -3.619 54 1HB ASP 8 2HB ASP 8 -1.377 5.690 -4.163 55 2HB ASP 8 1HB ASP 8 -0.745 4.888 -5.595 56 H CYS 9 H CYS 9 -1.171 4.373 -1.686 57 HA CYS 9 HA CYS 9 -3.976 3.921 -1.007 58 1HB CYS 9 2HB CYS 9 -3.118 3.117 1.299 59 2HB CYS 9 1HB CYS 9 -3.174 1.988 -0.039 60 H SER 10 H SER 10 -4.784 5.138 0.638 61 HA SER 10 HA SER 10 -3.545 7.715 0.919 62 1HB SER 10 2HB SER 10 -6.077 6.685 2.213 63 2HB SER 10 1HB SER 10 -5.607 8.371 1.992 64 HG SER 10 HG SER 10 -6.897 8.028 0.302 65 HA PRO 11 HA PRO 11 -1.407 6.653 4.681 66 1HB PRO 11 2HB PRO 11 -0.503 9.140 5.248 67 2HB PRO 11 1HB PRO 11 0.184 8.149 3.956 68 1HG PRO 11 2HG PRO 11 -1.869 10.329 3.771 69 2HG PRO 11 1HG PRO 11 -0.426 10.080 2.781 70 1HD PRO 11 2HD PRO 11 -2.851 9.331 1.930 71 2HD PRO 11 1HD PRO 11 -1.402 8.377 1.552 72 H TRP 12 H TRP 12 -3.505 9.538 4.618 73 HA TRP 12 HA TRP 12 -3.835 9.513 7.467 74 1HB TRP 12 2HB TRP 12 -5.302 11.091 5.345 75 2HB TRP 12 1HB TRP 12 -5.446 11.350 7.079 76 HD1 TRP 12 HD TRP 12 -3.209 12.309 8.342 77 HE1 TRP 12 1HE TRP 12 -1.345 13.841 7.449 78 HE3 TRP 12 3HE TRP 12 -3.985 11.701 3.325 79 HZ2 TRP 12 2HZ TRP 12 -0.341 14.689 4.952 80 HZ3 TRP 12 3HZ TRP 12 -2.535 12.915 1.751 81 HH2 TRP 12 HH TRP 12 -0.750 14.377 2.550 82 H SER 13 H SER 13 -5.905 8.748 4.685 83 HA SER 13 HA SER 13 -7.257 6.664 6.003 84 1HB SER 13 2HB SER 13 -8.214 8.610 7.285 85 2HB SER 13 1HB SER 13 -8.923 9.184 5.777 86 HG SER 13 HG SER 13 -9.774 7.230 7.451 87 H GLY 14 H GLY 14 -8.457 5.476 4.591 88 1HA GLY 14 2HA GLY 14 -9.754 6.383 2.293 89 2HA GLY 14 1HA GLY 14 -8.127 5.902 1.827 90 H ASP 15 H ASP 15 -9.227 4.254 0.531 91 HA ASP 15 HA ASP 15 -10.721 2.186 1.784 92 1HB ASP 15 2HB ASP 15 -9.624 2.660 -0.915 93 2HB ASP 15 1HB ASP 15 -9.854 0.983 -0.469 94 H SER 16 H SER 16 -10.124 0.091 2.224 95 HA SER 16 HA SER 16 -7.430 -0.188 3.216 96 1HB SER 16 2HB SER 16 -9.635 -2.247 3.278 97 2HB SER 16 1HB SER 16 -8.217 -2.161 4.319 98 HG SER 16 HG SER 16 -9.577 0.149 4.449 99 H CYS 17 H CYS 17 -5.979 -1.832 2.639 100 HA CYS 17 HA CYS 17 -5.948 -2.474 -0.154 101 1HB CYS 17 2HB CYS 17 -4.137 -3.697 1.923 102 2HB CYS 17 1HB CYS 17 -3.792 -3.359 0.232 103 H CYS 18 H CYS 18 -6.165 -4.514 -1.107 104 HA CYS 18 HA CYS 18 -7.992 -6.336 0.029 105 1HB CYS 18 2HB CYS 18 -6.039 -6.844 -2.230 106 2HB CYS 18 1HB CYS 18 -7.489 -7.770 -1.882 107 H LYS 19 H LYS 19 -7.683 -8.366 0.873 108 HA LYS 19 HA LYS 19 -5.226 -8.693 2.316 109 1HB LYS 19 2HB LYS 19 -6.347 -10.703 3.233 110 2HB LYS 19 1HB LYS 19 -7.290 -9.241 3.430 111 1HG LYS 19 2HG LYS 19 -8.700 -9.869 1.562 112 2HG LYS 19 1HG LYS 19 -7.720 -11.310 1.286 113 1HD LYS 19 2HD LYS 19 -9.215 -10.731 3.836 114 2HD LYS 19 1HD LYS 19 -9.837 -11.738 2.528 115 1HE LYS 19 2HE LYS 19 -7.899 -13.234 2.788 116 2HE LYS 19 1HE LYS 19 -7.326 -12.237 4.125 117 1HZ LYS 19 1HZ LYS 19 -8.852 -14.388 4.444 118 2HZ LYS 19 2HZ LYS 19 -10.056 -13.203 4.344 119 3HZ LYS 19 3HZ LYS 19 -8.851 -13.085 5.525 120 HA PRO 20 HA PRO 20 -4.070 -9.889 3.149 121 1HB PRO 20 2HB PRO 20 -1.879 -11.384 3.409 122 2HB PRO 20 1HB PRO 20 -3.485 -12.121 3.421 123 1HG PRO 20 2HG PRO 20 -1.395 -12.219 1.340 124 2HG PRO 20 1HG PRO 20 -2.752 -13.322 1.621 125 1HD PRO 20 2HD PRO 20 -2.571 -11.091 -0.241 126 2HD PRO 20 1HD PRO 20 -3.851 -12.314 -0.091 127 H TYR 21 H TYR 21 -3.406 -8.135 0.887 128 HA TYR 21 HA TYR 21 -0.570 -7.685 0.905 129 1HB TYR 21 2HB TYR 21 -2.711 -5.757 -0.041 130 2HB TYR 21 1HB TYR 21 -1.004 -5.749 -0.466 131 HD1 TYR 21 1HD TYR 21 -0.358 -8.433 -1.190 132 HD2 TYR 21 2HD TYR 21 -3.969 -6.301 -1.909 133 HE1 TYR 21 1HE TYR 21 -0.821 -9.882 -3.120 134 HE2 TYR 21 2HE TYR 21 -4.442 -7.745 -3.842 135 HH TYR 21 HH TYR 21 -2.141 -9.742 -5.264 136 H LEU 22 H LEU 22 -0.359 -4.890 1.127 137 HA LEU 22 HA LEU 22 -1.367 -3.976 3.649 138 1HB LEU 22 2HB LEU 22 0.288 -5.644 4.397 139 2HB LEU 22 1HB LEU 22 1.528 -4.820 3.475 140 HG LEU 22 HG LEU 22 1.035 -2.783 4.949 141 1HD1 LEU 22 1HD1 LEU 22 -0.233 -4.916 6.656 142 2HD1 LEU 22 2HD1 LEU 22 -1.102 -3.624 5.826 143 3HD1 LEU 22 3HD1 LEU 22 0.046 -3.233 7.108 144 1HD2 LEU 22 1HD2 LEU 22 2.901 -3.366 6.012 145 2HD2 LEU 22 2HD2 LEU 22 2.772 -4.932 5.211 146 3HD2 LEU 22 3HD2 LEU 22 2.099 -4.709 6.826 147 H CYS 23 H CYS 23 -1.251 -1.785 3.713 148 HA CYS 23 HA CYS 23 -0.113 -0.352 1.523 149 1HB CYS 23 2HB CYS 23 -2.128 0.482 2.640 150 2HB CYS 23 1HB CYS 23 -1.242 0.648 4.151 151 H SER 24 H SER 24 1.885 0.458 1.337 152 HA SER 24 HA SER 24 3.482 0.870 3.749 153 1HB SER 24 2HB SER 24 5.402 -0.334 2.592 154 2HB SER 24 1HB SER 24 4.080 -1.364 3.136 155 HG SER 24 HG SER 24 3.473 -0.589 0.700 156 H CYS 25 H CYS 25 4.691 2.658 3.642 157 HA CYS 25 HA CYS 25 4.898 4.011 1.038 158 1HB CYS 25 2HB CYS 25 3.644 4.971 3.219 159 2HB CYS 25 1HB CYS 25 5.274 5.539 3.562 160 H ILE 26 H ILE 26 6.816 2.704 0.655 161 HA ILE 26 HA ILE 26 9.117 3.242 2.344 162 HB ILE 26 HB ILE 26 10.345 1.692 0.836 163 1HG1 ILE 26 2HG1 ILE 26 8.702 2.117 -1.125 164 2HG1 ILE 26 1HG1 ILE 26 9.342 0.495 -0.902 165 1HG2 ILE 26 1HG2 ILE 26 8.953 -0.351 1.539 166 2HG2 ILE 26 2HG2 ILE 26 7.892 0.829 2.308 167 3HG2 ILE 26 3HG2 ILE 26 9.585 0.718 2.790 168 1HD1 ILE 26 1HD1 ILE 26 6.645 1.396 0.085 169 2HD1 ILE 26 2HD1 ILE 26 7.283 -0.249 0.064 170 3HD1 ILE 26 3HD1 ILE 26 6.926 0.578 -1.453 171 H PHE 27 H PHE 27 11.198 3.222 0.621 172 HA PHE 27 HA PHE 27 11.128 5.927 -0.376 173 1HB PHE 27 2HB PHE 27 13.332 3.872 -0.267 174 2HB PHE 27 1HB PHE 27 13.552 5.515 -0.854 175 HD1 PHE 27 1HD PHE 27 14.443 7.025 0.609 176 HD2 PHE 27 2HD PHE 27 12.169 3.781 2.164 177 HE1 PHE 27 1HE PHE 27 14.935 7.782 2.897 178 HE2 PHE 27 2HE PHE 27 12.652 4.536 4.454 179 HZ PHE 27 HZ PHE 27 14.037 6.538 4.823 180 H PHE 28 H PHE 28 11.852 2.736 -1.759 181 HA PHE 28 HA PHE 28 12.254 3.599 -4.398 182 1HB PHE 28 2HB PHE 28 11.458 0.914 -3.272 183 2HB PHE 28 1HB PHE 28 11.765 1.174 -4.984 184 HD1 PHE 28 1HD PHE 28 13.797 0.421 -5.682 185 HD2 PHE 28 2HD PHE 28 13.478 2.081 -1.777 186 HE1 PHE 28 1HE PHE 28 16.196 0.017 -5.319 187 HE2 PHE 28 2HE PHE 28 15.877 1.683 -1.408 188 HZ PHE 28 HZ PHE 28 17.239 0.651 -3.180 189 H TYR 29 H TYR 29 9.384 2.888 -2.613 190 HA TYR 29 HA TYR 29 7.761 3.764 -4.885 191 1HB TYR 29 2HB TYR 29 7.254 1.258 -3.263 192 2HB TYR 29 1HB TYR 29 6.033 2.023 -4.267 193 HD1 TYR 29 1HD TYR 29 5.911 1.571 -6.566 194 HD2 TYR 29 2HD TYR 29 9.343 0.344 -4.374 195 HE1 TYR 29 1HE TYR 29 6.656 0.236 -8.491 196 HE2 TYR 29 2HE TYR 29 10.102 -0.987 -6.296 197 HH TYR 29 HH TYR 29 9.277 -0.637 -9.223 198 HA PRO 30 HA PRO 30 6.116 6.298 -1.631 199 1HB PRO 30 2HB PRO 30 3.748 6.607 -3.358 200 2HB PRO 30 1HB PRO 30 4.877 7.832 -2.775 201 1HG PRO 30 2HG PRO 30 4.846 7.057 -5.345 202 2HG PRO 30 1HG PRO 30 6.353 7.495 -4.517 203 1HD PRO 30 2HD PRO 30 5.253 4.781 -5.146 204 2HD PRO 30 1HD PRO 30 6.926 5.370 -5.249 205 H CYS 31 H CYS 31 3.530 6.637 -0.929 206 HA CYS 31 HA CYS 31 2.932 4.365 0.576 207 1HB CYS 31 2HB CYS 31 1.145 6.669 -0.232 208 2HB CYS 31 1HB CYS 31 0.715 5.461 0.970 209 H SER 32 H SER 32 2.586 2.467 -0.390 210 HA SER 32 HA SER 32 0.232 2.183 -2.070 211 1HB SER 32 2HB SER 32 1.643 0.758 -3.687 212 2HB SER 32 1HB SER 32 1.800 2.505 -3.820 213 HG SER 32 HG SER 32 3.684 2.293 -2.431 214 H CYS 33 H CYS 33 -0.712 0.189 -1.898 215 HA CYS 33 HA CYS 33 0.176 -1.507 0.241 216 1HB CYS 33 2HB CYS 33 -1.969 -2.179 -1.782 217 2HB CYS 33 1HB CYS 33 -1.784 -2.804 -0.157 218 H ARG 34 H ARG 34 1.591 -3.080 0.022 219 HA ARG 34 HA ARG 34 2.065 -4.187 -2.675 220 1HB ARG 34 2HB ARG 34 4.143 -4.181 -0.494 221 2HB ARG 34 1HB ARG 34 4.372 -4.360 -2.225 222 1HG ARG 34 2HG ARG 34 3.687 -1.833 -0.742 223 2HG ARG 34 1HG ARG 34 5.225 -2.238 -1.497 224 1HD ARG 34 2HD ARG 34 2.607 -1.847 -2.943 225 2HD ARG 34 1HD ARG 34 3.897 -0.655 -2.831 226 HE ARG 34 HE ARG 34 3.702 -2.703 -4.715 227 1HH1 ARG 34 1HH1 ARG 34 6.110 -1.233 -2.645 228 2HH1 ARG 34 2HH1 ARG 34 7.439 -1.645 -3.677 229 1HH2 ARG 34 1HH2 ARG 34 5.453 -3.242 -6.092 230 2HH2 ARG 34 2HH2 ARG 34 7.064 -2.786 -5.645 231 HA PRO 35 HA PRO 35 1.133 -8.248 -1.236 232 1HB PRO 35 2HB PRO 35 3.897 -9.140 -1.827 233 2HB PRO 35 1HB PRO 35 2.358 -9.773 -2.417 234 1HG PRO 35 2HG PRO 35 3.998 -8.297 -3.965 235 2HG PRO 35 1HG PRO 35 2.234 -8.251 -4.130 236 1HD PRO 35 2HD PRO 35 4.078 -6.245 -2.957 237 2HD PRO 35 1HD PRO 35 2.508 -6.017 -3.745 238 H LYS 36 H LYS 36 1.539 -9.729 0.516 239 HA LYS 36 HA LYS 36 2.888 -8.465 2.720 240 1HB LYS 36 2HB LYS 36 0.731 -9.780 2.889 241 2HB LYS 36 1HB LYS 36 1.680 -11.235 2.631 242 1HG LYS 36 2HG LYS 36 1.146 -10.796 5.004 243 2HG LYS 36 1HG LYS 36 2.875 -10.900 4.676 244 1HD LYS 36 2HD LYS 36 2.198 -9.045 6.226 245 2HD LYS 36 1HD LYS 36 3.125 -8.533 4.817 246 1HE LYS 36 2HE LYS 36 1.247 -7.024 5.293 247 2HE LYS 36 1HE LYS 36 1.099 -7.792 3.714 248 1HZ LYS 36 1HZ LYS 36 -0.907 -7.655 5.381 249 2HZ LYS 36 2HZ LYS 36 -0.223 -9.083 5.979 250 3HZ LYS 36 3HZ LYS 36 -0.699 -8.984 4.354 251 H GLY 37 H GLY 37 4.992 -8.571 2.928 252 1HA GLY 37 2HA GLY 37 7.075 -9.580 3.238 253 2HA GLY 37 1HA GLY 37 6.380 -11.113 2.716 254 H TRP 38 H TRP 38 6.508 -7.925 1.201 255 HA TRP 38 HA TRP 38 7.030 -8.966 -1.378 256 1HB TRP 38 2HB TRP 38 7.073 -6.675 -2.104 257 2HB TRP 38 1HB TRP 38 5.818 -6.816 -0.881 258 HD1 TRP 38 HD TRP 38 9.437 -5.521 -1.252 259 HE1 TRP 38 1HE TRP 38 9.813 -3.645 0.461 260 HE3 TRP 38 3HE TRP 38 4.955 -5.737 1.210 261 HZ2 TRP 38 2HZ TRP 38 8.407 -2.415 2.570 262 HZ3 TRP 38 3HZ TRP 38 4.557 -4.179 3.065 263 HH2 TRP 38 HH TRP 38 6.248 -2.549 3.729 Start of MODEL 20 1 1H LYS 1 1HT LYS 1 -14.581 -5.020 -2.324 2 2H LYS 1 2HT LYS 1 -15.604 -3.691 -2.101 3 3H LYS 1 3HT LYS 1 -14.417 -4.047 -0.948 4 HA LYS 1 HA LYS 1 -13.424 -3.647 -3.626 5 1HB LYS 1 2HB LYS 1 -15.280 -1.976 -3.417 6 2HB LYS 1 1HB LYS 1 -14.495 -1.334 -1.983 7 1HG LYS 1 2HG LYS 1 -12.709 -0.456 -3.212 8 2HG LYS 1 1HG LYS 1 -13.083 -1.442 -4.627 9 1HD LYS 1 2HD LYS 1 -13.754 0.829 -5.062 10 2HD LYS 1 1HD LYS 1 -15.198 -0.169 -4.896 11 1HE LYS 1 2HE LYS 1 -15.652 1.811 -3.703 12 2HE LYS 1 1HE LYS 1 -15.280 0.597 -2.481 13 1HZ LYS 1 1HZ LYS 1 -14.194 2.726 -2.038 14 2HZ LYS 1 2HZ LYS 1 -13.363 2.621 -3.502 15 3HZ LYS 1 3HZ LYS 1 -13.058 1.494 -2.276 16 H CYS 2 H CYS 2 -11.262 -3.342 -3.456 17 HA CYS 2 HA CYS 2 -10.023 -2.272 -1.094 18 1HB CYS 2 2HB CYS 2 -8.692 -4.328 -0.623 19 2HB CYS 2 1HB CYS 2 -10.402 -4.499 -0.253 20 H LEU 3 H LEU 3 -7.725 -2.109 -1.335 21 HA LEU 3 HA LEU 3 -7.002 -1.468 -4.040 22 1HB LEU 3 2HB LEU 3 -5.436 -1.345 -1.465 23 2HB LEU 3 1HB LEU 3 -4.931 -0.650 -2.988 24 HG LEU 3 HG LEU 3 -7.369 0.167 -1.418 25 1HD1 LEU 3 1HD1 LEU 3 -5.088 1.990 -1.927 26 2HD1 LEU 3 2HD1 LEU 3 -4.901 0.756 -0.681 27 3HD1 LEU 3 3HD1 LEU 3 -6.214 1.929 -0.572 28 1HD2 LEU 3 1HD2 LEU 3 -6.645 2.105 -3.327 29 2HD2 LEU 3 2HD2 LEU 3 -8.098 1.104 -3.292 30 3HD2 LEU 3 3HD2 LEU 3 -6.667 0.552 -4.164 31 H ALA 4 H ALA 4 -5.747 -2.630 -5.400 32 HA ALA 4 HA ALA 4 -5.077 -5.325 -4.675 33 1HB ALA 4 1HB ALA 4 -5.935 -4.842 -6.890 34 2HB ALA 4 2HB ALA 4 -4.313 -5.523 -7.003 35 3HB ALA 4 3HB ALA 4 -4.557 -3.790 -7.217 36 H GLU 5 H GLU 5 -2.767 -5.823 -6.074 37 HA GLU 5 HA GLU 5 -0.801 -5.038 -4.181 38 1HB GLU 5 2HB GLU 5 0.739 -6.336 -5.713 39 2HB GLU 5 1HB GLU 5 -0.607 -7.229 -5.022 40 1HG GLU 5 2HG GLU 5 -1.821 -6.679 -7.222 41 2HG GLU 5 1HG GLU 5 -0.211 -6.300 -7.836 42 H ALA 6 H ALA 6 0.644 -3.537 -4.249 43 HA ALA 6 HA ALA 6 1.850 -1.716 -4.831 44 1HB ALA 6 1HB ALA 6 1.496 -2.319 -7.742 45 2HB ALA 6 2HB ALA 6 2.525 -3.337 -6.734 46 3HB ALA 6 3HB ALA 6 2.882 -1.618 -6.905 47 H ALA 7 H ALA 7 -0.935 -1.501 -4.408 48 HA ALA 7 HA ALA 7 -1.771 0.534 -6.363 49 1HB ALA 7 1HB ALA 7 -3.748 0.001 -4.345 50 2HB ALA 7 2HB ALA 7 -3.178 -1.505 -5.063 51 3HB ALA 7 3HB ALA 7 -3.838 -0.233 -6.091 52 H ASP 8 H ASP 8 -2.049 2.666 -5.811 53 HA ASP 8 HA ASP 8 -0.647 3.727 -3.647 54 1HB ASP 8 2HB ASP 8 -1.812 5.860 -4.166 55 2HB ASP 8 1HB ASP 8 -1.131 5.082 -5.589 56 H CYS 9 H CYS 9 -1.202 4.492 -1.639 57 HA CYS 9 HA CYS 9 -3.949 4.334 -0.723 58 1HB CYS 9 2HB CYS 9 -3.369 2.885 1.214 59 2HB CYS 9 1HB CYS 9 -3.273 2.053 -0.328 60 H SER 10 H SER 10 -4.044 4.880 1.658 61 HA SER 10 HA SER 10 -1.898 6.466 2.726 62 1HB SER 10 2HB SER 10 -4.490 7.796 1.887 63 2HB SER 10 1HB SER 10 -3.271 8.542 2.918 64 HG SER 10 HG SER 10 -2.260 7.519 0.579 65 HA PRO 11 HA PRO 11 -3.837 4.544 6.245 66 1HB PRO 11 2HB PRO 11 -2.016 6.369 7.719 67 2HB PRO 11 1HB PRO 11 -2.170 4.609 7.811 68 1HG PRO 11 2HG PRO 11 -0.083 5.664 6.581 69 2HG PRO 11 1HG PRO 11 -0.931 4.276 5.868 70 1HD PRO 11 2HD PRO 11 -1.178 7.181 5.158 71 2HD PRO 11 1HD PRO 11 -0.958 5.780 4.085 72 H TRP 12 H TRP 12 -3.507 8.027 5.921 73 HA TRP 12 HA TRP 12 -5.297 8.593 8.092 74 1HB TRP 12 2HB TRP 12 -4.083 10.334 5.946 75 2HB TRP 12 1HB TRP 12 -5.195 10.952 7.161 76 HD1 TRP 12 HD TRP 12 -4.230 11.511 9.505 77 HE1 TRP 12 1HE TRP 12 -1.881 11.429 10.547 78 HE3 TRP 12 3HE TRP 12 -1.802 8.887 5.845 79 HZ2 TRP 12 2HZ TRP 12 0.664 10.399 9.906 80 HZ3 TRP 12 3HZ TRP 12 0.592 8.401 6.138 81 HH2 TRP 12 HH TRP 12 1.799 9.142 8.127 82 H SER 13 H SER 13 -5.634 7.807 4.779 83 HA SER 13 HA SER 13 -8.430 7.630 4.896 84 1HB SER 13 2HB SER 13 -8.184 10.162 4.882 85 2HB SER 13 1HB SER 13 -7.535 10.009 3.251 86 HG SER 13 HG SER 13 -10.127 9.749 4.163 87 H GLY 14 H GLY 14 -8.948 6.149 3.416 88 1HA GLY 14 2HA GLY 14 -8.512 6.084 0.754 89 2HA GLY 14 1HA GLY 14 -7.015 5.424 1.400 90 H ASP 15 H ASP 15 -8.623 3.917 -0.244 91 HA ASP 15 HA ASP 15 -10.465 2.269 1.128 92 1HB ASP 15 2HB ASP 15 -9.176 2.278 -1.506 93 2HB ASP 15 1HB ASP 15 -9.502 0.666 -0.888 94 H SER 16 H SER 16 -10.191 0.008 1.635 95 HA SER 16 HA SER 16 -7.740 -0.440 3.068 96 1HB SER 16 2HB SER 16 -9.958 -2.435 2.693 97 2HB SER 16 1HB SER 16 -8.812 -2.323 4.024 98 HG SER 16 HG SER 16 -10.046 -0.012 3.935 99 H CYS 17 H CYS 17 -6.185 -1.944 2.603 100 HA CYS 17 HA CYS 17 -5.862 -2.628 -0.156 101 1HB CYS 17 2HB CYS 17 -4.239 -3.682 2.170 102 2HB CYS 17 1HB CYS 17 -3.741 -3.538 0.490 103 H CYS 18 H CYS 18 -6.029 -4.647 -1.115 104 HA CYS 18 HA CYS 18 -7.826 -6.529 0.002 105 1HB CYS 18 2HB CYS 18 -5.874 -6.900 -2.290 106 2HB CYS 18 1HB CYS 18 -7.229 -7.954 -1.920 107 H LYS 19 H LYS 19 -7.415 -8.555 0.864 108 HA LYS 19 HA LYS 19 -4.949 -8.724 2.311 109 1HB LYS 19 2HB LYS 19 -5.938 -10.775 3.259 110 2HB LYS 19 1HB LYS 19 -6.997 -9.390 3.403 111 1HG LYS 19 2HG LYS 19 -8.319 -10.181 1.526 112 2HG LYS 19 1HG LYS 19 -7.226 -11.550 1.316 113 1HD LYS 19 2HD LYS 19 -7.816 -12.341 3.570 114 2HD LYS 19 1HD LYS 19 -8.937 -10.989 3.739 115 1HE LYS 19 2HE LYS 19 -10.229 -11.814 1.840 116 2HE LYS 19 1HE LYS 19 -9.095 -13.150 1.639 117 1HZ LYS 19 1HZ LYS 19 -11.105 -12.722 3.741 118 2HZ LYS 19 2HZ LYS 19 -9.726 -13.637 4.091 119 3HZ LYS 19 3HZ LYS 19 -10.767 -14.118 2.848 120 HA PRO 20 HA PRO 20 -3.712 -9.788 3.158 121 1HB PRO 20 2HB PRO 20 -1.404 -11.087 3.458 122 2HB PRO 20 1HB PRO 20 -2.942 -11.956 3.481 123 1HG PRO 20 2HG PRO 20 -0.844 -11.918 1.405 124 2HG PRO 20 1HG PRO 20 -2.095 -13.132 1.714 125 1HD PRO 20 2HD PRO 20 -2.113 -10.947 -0.207 126 2HD PRO 20 1HD PRO 20 -3.286 -12.268 -0.017 127 H TYR 21 H TYR 21 -3.102 -8.162 0.716 128 HA TYR 21 HA TYR 21 -0.357 -7.405 0.812 129 1HB TYR 21 2HB TYR 21 -2.662 -5.781 -0.297 130 2HB TYR 21 1HB TYR 21 -0.951 -5.576 -0.650 131 HD1 TYR 21 1HD TYR 21 0.268 -7.576 -1.723 132 HD2 TYR 21 2HD TYR 21 -3.963 -7.155 -1.691 133 HE1 TYR 21 1HE TYR 21 0.107 -9.140 -3.610 134 HE2 TYR 21 2HE TYR 21 -4.138 -8.722 -3.581 135 HH TYR 21 HH TYR 21 -1.419 -9.698 -5.419 136 H LEU 22 H LEU 22 0.448 -5.267 1.421 137 HA LEU 22 HA LEU 22 -1.015 -4.134 3.714 138 1HB LEU 22 2HB LEU 22 0.701 -5.700 4.485 139 2HB LEU 22 1HB LEU 22 1.917 -4.829 3.575 140 HG LEU 22 HG LEU 22 1.389 -2.819 5.029 141 1HD1 LEU 22 1HD1 LEU 22 0.231 -3.150 7.080 142 2HD1 LEU 22 2HD1 LEU 22 0.079 -4.882 6.780 143 3HD1 LEU 22 3HD1 LEU 22 -0.812 -3.733 5.782 144 1HD2 LEU 22 1HD2 LEU 22 2.563 -5.342 6.171 145 2HD2 LEU 22 2HD2 LEU 22 2.633 -3.789 7.004 146 3HD2 LEU 22 3HD2 LEU 22 3.408 -3.982 5.432 147 H CYS 23 H CYS 23 -1.129 -1.977 3.740 148 HA CYS 23 HA CYS 23 -0.023 -0.395 1.639 149 1HB CYS 23 2HB CYS 23 -2.180 0.169 2.691 150 2HB CYS 23 1HB CYS 23 -1.366 0.443 4.224 151 H SER 24 H SER 24 1.936 0.507 1.552 152 HA SER 24 HA SER 24 3.307 1.242 4.011 153 1HB SER 24 2HB SER 24 5.404 0.059 2.944 154 2HB SER 24 1HB SER 24 4.260 -0.879 3.903 155 HG SER 24 HG SER 24 3.264 -1.520 1.955 156 H CYS 25 H CYS 25 4.835 2.838 3.742 157 HA CYS 25 HA CYS 25 4.959 4.043 1.060 158 1HB CYS 25 2HB CYS 25 3.943 5.197 3.301 159 2HB CYS 25 1HB CYS 25 5.625 5.699 3.427 160 H ILE 26 H ILE 26 6.700 2.297 0.970 161 HA ILE 26 HA ILE 26 9.139 2.885 2.382 162 HB ILE 26 HB ILE 26 10.114 1.008 1.042 163 1HG1 ILE 26 2HG1 ILE 26 8.413 1.219 -0.862 164 2HG1 ILE 26 1HG1 ILE 26 8.793 -0.408 -0.315 165 1HG2 ILE 26 1HG2 ILE 26 8.272 -0.636 2.158 166 2HG2 ILE 26 2HG2 ILE 26 7.969 0.872 3.022 167 3HG2 ILE 26 3HG2 ILE 26 9.582 0.158 3.032 168 1HD1 ILE 26 1HD1 ILE 26 6.548 0.569 1.148 169 2HD1 ILE 26 2HD1 ILE 26 6.658 -0.810 0.054 170 3HD1 ILE 26 3HD1 ILE 26 6.272 0.790 -0.580 171 H PHE 27 H PHE 27 11.124 2.391 0.629 172 HA PHE 27 HA PHE 27 11.314 4.921 -0.735 173 1HB PHE 27 2HB PHE 27 13.261 2.645 -0.405 174 2HB PHE 27 1HB PHE 27 13.647 4.143 -1.239 175 HD1 PHE 27 1HD PHE 27 12.194 3.079 2.045 176 HD2 PHE 27 2HD PHE 27 14.806 5.707 -0.048 177 HE1 PHE 27 1HE PHE 27 12.866 4.103 4.177 178 HE2 PHE 27 2HE PHE 27 15.483 6.735 2.082 179 HZ PHE 27 HZ PHE 27 14.513 5.933 4.199 180 H PHE 28 H PHE 28 11.607 1.514 -1.703 181 HA PHE 28 HA PHE 28 12.018 1.935 -4.432 182 1HB PHE 28 2HB PHE 28 12.356 -0.218 -3.175 183 2HB PHE 28 1HB PHE 28 10.610 -0.434 -3.183 184 HD1 PHE 28 1HD PHE 28 10.347 -2.352 -4.477 185 HD2 PHE 28 2HD PHE 28 12.752 0.843 -5.933 186 HE1 PHE 28 1HE PHE 28 10.503 -3.470 -6.662 187 HE2 PHE 28 2HE PHE 28 12.909 -0.268 -8.122 188 HZ PHE 28 HZ PHE 28 11.783 -2.428 -8.489 189 H TYR 29 H TYR 29 9.128 1.837 -2.526 190 HA TYR 29 HA TYR 29 7.576 2.833 -4.793 191 1HB TYR 29 2HB TYR 29 6.982 0.340 -3.238 192 2HB TYR 29 1HB TYR 29 5.641 1.351 -3.755 193 HD1 TYR 29 1HD TYR 29 4.688 0.972 -5.817 194 HD2 TYR 29 2HD TYR 29 8.677 -0.338 -5.142 195 HE1 TYR 29 1HE TYR 29 4.686 -0.142 -8.008 196 HE2 TYR 29 2HE TYR 29 8.689 -1.449 -7.334 197 HH TYR 29 HH TYR 29 6.870 -0.846 -9.717 198 HA PRO 30 HA PRO 30 6.419 5.641 -1.553 199 1HB PRO 30 2HB PRO 30 4.257 6.776 -2.770 200 2HB PRO 30 1HB PRO 30 5.927 7.184 -3.181 201 1HG PRO 30 2HG PRO 30 4.030 5.333 -4.570 202 2HG PRO 30 1HG PRO 30 5.157 6.510 -5.267 203 1HD PRO 30 2HD PRO 30 5.701 3.863 -5.173 204 2HD PRO 30 1HD PRO 30 6.969 5.098 -5.037 205 H CYS 31 H CYS 31 3.811 6.427 -0.997 206 HA CYS 31 HA CYS 31 2.893 4.372 0.661 207 1HB CYS 31 2HB CYS 31 1.522 6.855 -0.375 208 2HB CYS 31 1HB CYS 31 0.781 5.779 0.799 209 H SER 32 H SER 32 2.461 2.452 -0.303 210 HA SER 32 HA SER 32 0.043 2.280 -1.895 211 1HB SER 32 2HB SER 32 1.325 0.824 -3.598 212 2HB SER 32 1HB SER 32 1.519 2.566 -3.726 213 HG SER 32 HG SER 32 3.447 2.218 -2.333 214 H CYS 33 H CYS 33 -0.937 0.270 -1.797 215 HA CYS 33 HA CYS 33 -0.121 -1.480 0.303 216 1HB CYS 33 2HB CYS 33 -2.130 -2.105 -1.874 217 2HB CYS 33 1HB CYS 33 -2.011 -2.836 -0.285 218 H ARG 34 H ARG 34 1.598 -2.641 0.065 219 HA ARG 34 HA ARG 34 2.344 -3.690 -2.568 220 1HB ARG 34 2HB ARG 34 3.970 -3.701 -0.024 221 2HB ARG 34 1HB ARG 34 4.560 -3.910 -1.657 222 1HG ARG 34 2HG ARG 34 3.442 -1.381 -0.509 223 2HG ARG 34 1HG ARG 34 5.147 -1.744 -0.742 224 1HD ARG 34 2HD ARG 34 3.030 -1.245 -2.807 225 2HD ARG 34 1HD ARG 34 4.526 -0.361 -2.539 226 HE ARG 34 HE ARG 34 4.203 -2.388 -4.346 227 1HH1 ARG 34 1HH1 ARG 34 6.424 -1.766 -1.691 228 2HH1 ARG 34 2HH1 ARG 34 7.715 -2.689 -2.385 229 1HH2 ARG 34 1HH2 ARG 34 5.934 -3.576 -5.273 230 2HH2 ARG 34 2HH2 ARG 34 7.440 -3.703 -4.426 231 HA PRO 35 HA PRO 35 1.435 -7.886 -1.488 232 1HB PRO 35 2HB PRO 35 3.829 -9.219 -1.798 233 2HB PRO 35 1HB PRO 35 2.732 -8.809 -3.120 234 1HG PRO 35 2HG PRO 35 5.212 -7.411 -2.207 235 2HG PRO 35 1HG PRO 35 4.626 -7.698 -3.857 236 1HD PRO 35 2HD PRO 35 4.375 -5.316 -2.655 237 2HD PRO 35 1HD PRO 35 3.139 -5.918 -3.765 238 H LYS 36 H LYS 36 1.917 -9.632 0.097 239 HA LYS 36 HA LYS 36 2.733 -8.459 2.593 240 1HB LYS 36 2HB LYS 36 0.806 -10.076 2.295 241 2HB LYS 36 1HB LYS 36 2.003 -11.345 2.069 242 1HG LYS 36 2HG LYS 36 1.133 -11.300 4.353 243 2HG LYS 36 1HG LYS 36 2.866 -10.969 4.306 244 1HD LYS 36 2HD LYS 36 2.490 -8.619 4.605 245 2HD LYS 36 1HD LYS 36 0.746 -8.827 4.424 246 1HE LYS 36 2HE LYS 36 2.415 -10.006 6.643 247 2HE LYS 36 1HE LYS 36 1.444 -8.539 6.775 248 1HZ LYS 36 1HZ LYS 36 -0.432 -10.130 5.950 249 2HZ LYS 36 2HZ LYS 36 0.002 -10.092 7.584 250 3HZ LYS 36 3HZ LYS 36 0.573 -11.332 6.586 251 H GLY 37 H GLY 37 4.841 -7.996 1.848 252 1HA GLY 37 2HA GLY 37 6.970 -9.042 2.927 253 2HA GLY 37 1HA GLY 37 6.718 -10.242 1.658 254 H TRP 38 H TRP 38 6.274 -6.759 1.711 255 HA TRP 38 HA TRP 38 7.468 -6.425 -0.860 256 1HB TRP 38 2HB TRP 38 7.092 -3.933 -0.238 257 2HB TRP 38 1HB TRP 38 5.696 -4.969 -0.501 258 HD1 TRP 38 HD TRP 38 3.935 -4.969 1.355 259 HE1 TRP 38 1HE TRP 38 3.803 -4.121 3.778 260 HE3 TRP 38 3HE TRP 38 8.771 -3.515 1.951 261 HZ2 TRP 38 2HZ TRP 38 5.531 -2.973 5.693 262 HZ3 TRP 38 3HZ TRP 38 9.468 -2.543 4.105 263 HH2 TRP 38 HH TRP 38 7.875 -2.276 5.937
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