NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20463 | 2frw | 7035 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ILE 1 1HT ILE 1 10.219 -2.311 8.738 2 2H ILE 1 2HT ILE 1 10.733 -2.301 10.375 3 3H ILE 1 3HT ILE 1 10.624 -0.829 9.499 4 HA ILE 1 HA ILE 1 8.524 -2.514 10.608 5 HB ILE 1 HB ILE 1 8.750 0.486 10.428 6 1HG1 ILE 1 2HG1 ILE 1 9.668 -1.343 12.659 7 2HG1 ILE 1 1HG1 ILE 1 10.713 -0.388 11.613 8 1HG2 ILE 1 1HG2 ILE 1 7.200 -1.245 12.347 9 2HG2 ILE 1 2HG2 ILE 1 6.523 -0.529 10.884 10 3HG2 ILE 1 3HG2 ILE 1 7.116 0.509 12.180 11 1HD1 ILE 1 1HD1 ILE 1 10.647 1.040 13.344 12 2HD1 ILE 1 2HD1 ILE 1 9.106 0.422 13.938 13 3HD1 ILE 1 3HD1 ILE 1 9.141 1.554 12.587 14 HA PRO 2 HA PRO 2 6.229 -1.949 6.836 15 1HB PRO 2 2HB PRO 2 3.957 -3.151 7.561 16 2HB PRO 2 1HB PRO 2 5.452 -4.072 7.358 17 1HG PRO 2 2HG PRO 2 4.120 -3.144 9.862 18 2HG PRO 2 1HG PRO 2 4.958 -4.670 9.537 19 1HD PRO 2 2HD PRO 2 6.051 -2.475 10.854 20 2HD PRO 2 1HD PRO 2 6.976 -3.799 10.122 21 H ALA 3 H ALA 3 3.575 -1.494 6.595 22 HA ALA 3 HA ALA 3 3.221 1.092 7.914 23 1HB ALA 3 1HB ALA 3 2.418 0.136 5.192 24 2HB ALA 3 2HB ALA 3 3.414 1.525 5.628 25 3HB ALA 3 3HB ALA 3 1.677 1.554 5.934 26 H PHE 4 H PHE 4 0.923 1.774 8.209 27 HA PHE 4 HA PHE 4 -0.706 -0.502 9.048 28 1HB PHE 4 2HB PHE 4 0.166 1.111 10.813 29 2HB PHE 4 1HB PHE 4 -0.953 2.275 10.117 30 HD1 PHE 4 1HD PHE 4 -3.340 2.035 10.379 31 HD2 PHE 4 2HD PHE 4 -0.645 -0.802 12.051 32 HE1 PHE 4 1HE PHE 4 -5.158 1.133 11.771 33 HE2 PHE 4 2HE PHE 4 -2.458 -1.710 13.444 34 HZ PHE 4 HZ PHE 4 -4.718 -0.742 13.305 35 H VAL 5 H VAL 5 -2.407 -0.877 7.789 36 HA VAL 5 HA VAL 5 -3.411 1.169 6.008 37 HB VAL 5 HB VAL 5 -4.478 -1.624 6.423 38 1HG1 VAL 5 1HG1 VAL 5 -5.570 0.464 5.017 39 2HG1 VAL 5 2HG1 VAL 5 -5.890 -1.246 4.730 40 3HG1 VAL 5 3HG1 VAL 5 -4.666 -0.406 3.778 41 1HG2 VAL 5 1HG2 VAL 5 -3.117 -1.972 4.226 42 2HG2 VAL 5 2HG2 VAL 5 -2.308 -2.071 5.790 43 3HG2 VAL 5 3HG2 VAL 5 -2.176 -0.604 4.820 44 H LYS 6 H LYS 6 -5.418 2.136 6.071 45 HA LYS 6 HA LYS 6 -6.882 1.837 8.602 46 1HB LYS 6 2HB LYS 6 -7.181 4.194 6.775 47 2HB LYS 6 1HB LYS 6 -7.504 4.087 8.498 48 1HG LYS 6 2HG LYS 6 -5.383 4.566 9.058 49 2HG LYS 6 1HG LYS 6 -4.705 3.625 7.729 50 1HD LYS 6 2HD LYS 6 -5.315 5.426 6.168 51 2HD LYS 6 1HD LYS 6 -5.941 6.371 7.520 52 1HE LYS 6 2HE LYS 6 -3.699 6.350 8.538 53 2HE LYS 6 1HE LYS 6 -3.089 5.463 7.143 54 1HZ LYS 6 1HZ LYS 6 -3.771 7.351 5.745 55 2HZ LYS 6 2HZ LYS 6 -2.607 7.784 6.892 56 3HZ LYS 6 3HZ LYS 6 -4.226 8.205 7.133 57 H PHE 7 H PHE 7 -7.699 2.998 5.363 58 HA PHE 7 HA PHE 7 -10.317 1.782 5.588 59 1HB PHE 7 2HB PHE 7 -9.169 4.015 4.137 60 2HB PHE 7 1HB PHE 7 -10.130 2.985 3.076 61 HD1 PHE 7 1HD PHE 7 -12.478 3.016 3.158 62 HD2 PHE 7 2HD PHE 7 -10.225 4.967 6.196 63 HE1 PHE 7 1HE PHE 7 -14.536 4.070 4.002 64 HE2 PHE 7 2HE PHE 7 -12.279 6.023 7.046 65 HZ PHE 7 HZ PHE 7 -14.438 5.574 5.949 66 H ALA 8 H ALA 8 -11.229 0.493 3.873 67 HA ALA 8 HA ALA 8 -9.216 -1.155 2.529 68 1HB ALA 8 1HB ALA 8 -11.832 -2.380 2.781 69 2HB ALA 8 2HB ALA 8 -11.134 -1.944 4.339 70 3HB ALA 8 3HB ALA 8 -10.245 -2.998 3.239 71 H TYR 9 H TYR 9 -9.404 -1.570 0.367 72 HA TYR 9 HA TYR 9 -11.800 -0.599 -1.023 73 1HB TYR 9 2HB TYR 9 -9.910 1.097 -1.104 74 2HB TYR 9 1HB TYR 9 -9.009 -0.083 -2.056 75 HD1 TYR 9 1HD TYR 9 -8.865 0.849 -4.185 76 HD2 TYR 9 2HD TYR 9 -12.625 0.807 -2.195 77 HE1 TYR 9 1HE TYR 9 -9.952 1.670 -6.233 78 HE2 TYR 9 2HE TYR 9 -13.722 1.626 -4.238 79 HH TYR 9 HH TYR 9 -12.016 2.896 -6.858 80 H VAL 10 H VAL 10 -12.550 -2.006 -2.497 81 HA VAL 10 HA VAL 10 -10.910 -4.343 -3.092 82 HB VAL 10 HB VAL 10 -13.105 -5.303 -3.943 83 1HG1 VAL 10 1HG1 VAL 10 -12.607 -6.279 -1.967 84 2HG1 VAL 10 2HG1 VAL 10 -13.979 -5.324 -1.403 85 3HG1 VAL 10 3HG1 VAL 10 -12.335 -4.739 -1.151 86 1HG2 VAL 10 1HG2 VAL 10 -14.003 -2.748 -3.765 87 2HG2 VAL 10 2HG2 VAL 10 -14.608 -3.427 -2.254 88 3HG2 VAL 10 3HG2 VAL 10 -15.043 -4.171 -3.793 89 H ALA 11 H ALA 11 -9.759 -4.123 -4.903 90 HA ALA 11 HA ALA 11 -10.926 -4.002 -7.435 91 1HB ALA 11 1HB ALA 11 -9.585 -1.399 -6.738 92 2HB ALA 11 2HB ALA 11 -11.334 -1.623 -6.737 93 3HB ALA 11 3HB ALA 11 -10.422 -1.818 -8.232 94 H GLU 12 H GLU 12 -9.537 -5.302 -8.458 95 HA GLU 12 HA GLU 12 -6.659 -4.776 -8.097 96 1HB GLU 12 2HB GLU 12 -7.887 -7.455 -8.743 97 2HB GLU 12 1HB GLU 12 -6.209 -7.123 -8.342 98 1HG GLU 12 2HG GLU 12 -6.604 -7.295 -6.168 99 2HG GLU 12 1HG GLU 12 -7.987 -6.206 -6.261 100 H ARG 13 H ARG 13 -5.769 -3.983 -9.828 101 HA ARG 13 HA ARG 13 -6.167 -5.139 -12.420 102 1HB ARG 13 2HB ARG 13 -7.876 -3.706 -12.884 103 2HB ARG 13 1HB ARG 13 -7.376 -2.554 -11.655 104 1HG ARG 13 2HG ARG 13 -5.584 -2.697 -13.981 105 2HG ARG 13 1HG ARG 13 -7.221 -2.150 -14.336 106 1HD ARG 13 2HD ARG 13 -6.457 -0.850 -11.981 107 2HD ARG 13 1HD ARG 13 -5.068 -0.751 -13.057 108 HE ARG 13 HE ARG 13 -7.524 -0.067 -14.356 109 1HH1 ARG 13 1HH1 ARG 13 -4.971 1.158 -12.315 110 2HH1 ARG 13 2HH1 ARG 13 -5.206 2.805 -12.797 111 1HH2 ARG 13 1HH2 ARG 13 -7.833 2.099 -14.990 112 2HH2 ARG 13 2HH2 ARG 13 -6.832 3.339 -14.314 113 H GLU 14 H GLU 14 -4.539 -4.309 -13.984 114 HA GLU 14 HA GLU 14 -2.009 -4.071 -12.849 115 1HB GLU 14 2HB GLU 14 -1.262 -3.290 -15.082 116 2HB GLU 14 1HB GLU 14 -2.288 -4.714 -15.175 117 1HG GLU 14 2HG GLU 14 -4.025 -2.537 -15.364 118 2HG GLU 14 1HG GLU 14 -2.635 -2.124 -16.366 119 H ASP 15 H ASP 15 -1.510 -2.539 -11.437 120 HA ASP 15 HA ASP 15 -0.699 -0.415 -10.901 121 1HB ASP 15 2HB ASP 15 -1.437 0.176 -13.436 122 2HB ASP 15 1HB ASP 15 -2.653 1.089 -12.542 123 H GLU 16 H GLU 16 -3.378 -1.991 -10.340 124 HA GLU 16 HA GLU 16 -4.477 0.044 -8.534 125 1HB GLU 16 2HB GLU 16 -6.211 -0.141 -10.078 126 2HB GLU 16 1HB GLU 16 -5.872 -1.831 -10.402 127 1HG GLU 16 2HG GLU 16 -7.338 -2.510 -8.902 128 2HG GLU 16 1HG GLU 16 -6.686 -1.427 -7.675 129 H LEU 17 H LEU 17 -4.808 -0.612 -6.459 130 HA LEU 17 HA LEU 17 -4.396 -3.461 -5.851 131 1HB LEU 17 2HB LEU 17 -2.849 -3.035 -4.199 132 2HB LEU 17 1HB LEU 17 -2.414 -1.841 -5.414 133 HG LEU 17 HG LEU 17 -4.121 -0.370 -3.951 134 1HD1 LEU 17 1HD1 LEU 17 -4.469 -2.303 -2.404 135 2HD1 LEU 17 2HD1 LEU 17 -3.919 -0.822 -1.623 136 3HD1 LEU 17 3HD1 LEU 17 -2.784 -2.139 -1.917 137 1HD2 LEU 17 1HD2 LEU 17 -2.296 0.851 -3.500 138 2HD2 LEU 17 2HD2 LEU 17 -1.457 -0.346 -4.483 139 3HD2 LEU 17 3HD2 LEU 17 -1.461 -0.496 -2.728 140 H SER 18 H SER 18 -5.441 -4.244 -3.973 141 HA SER 18 HA SER 18 -7.775 -2.683 -3.217 142 1HB SER 18 2HB SER 18 -8.878 -4.654 -2.897 143 2HB SER 18 1HB SER 18 -7.593 -5.291 -3.926 144 HG SER 18 HG SER 18 -6.437 -5.738 -1.936 145 H LEU 19 H LEU 19 -8.097 -1.897 -1.176 146 HA LEU 19 HA LEU 19 -5.837 -2.127 0.659 147 1HB LEU 19 2HB LEU 19 -8.197 -0.342 1.123 148 2HB LEU 19 1HB LEU 19 -6.536 -0.142 1.655 149 HG LEU 19 HG LEU 19 -7.207 -0.020 -1.264 150 1HD1 LEU 19 1HD1 LEU 19 -8.052 2.063 -1.183 151 2HD1 LEU 19 2HD1 LEU 19 -7.050 2.530 0.191 152 3HD1 LEU 19 3HD1 LEU 19 -8.523 1.596 0.452 153 1HD2 LEU 19 1HD2 LEU 19 -5.189 1.695 0.042 154 2HD2 LEU 19 2HD2 LEU 19 -5.135 0.849 -1.505 155 3HD2 LEU 19 3HD2 LEU 19 -4.846 -0.034 -0.007 156 H VAL 20 H VAL 20 -6.065 -2.604 2.859 157 HA VAL 20 HA VAL 20 -8.168 -4.530 3.421 158 HB VAL 20 HB VAL 20 -5.992 -3.779 5.345 159 1HG1 VAL 20 1HG1 VAL 20 -6.306 -6.472 5.452 160 2HG1 VAL 20 2HG1 VAL 20 -7.934 -5.952 5.016 161 3HG1 VAL 20 3HG1 VAL 20 -7.166 -5.323 6.474 162 1HG2 VAL 20 1HG2 VAL 20 -5.689 -5.108 2.735 163 2HG2 VAL 20 2HG2 VAL 20 -4.926 -5.927 4.099 164 3HG2 VAL 20 3HG2 VAL 20 -4.500 -4.257 3.724 165 H LYS 21 H LYS 21 -9.187 -4.514 5.612 166 HA LYS 21 HA LYS 21 -10.358 -1.934 6.103 167 1HB LYS 21 2HB LYS 21 -10.752 -4.496 7.651 168 2HB LYS 21 1HB LYS 21 -11.802 -3.088 7.659 169 1HG LYS 21 2HG LYS 21 -12.990 -4.249 6.164 170 2HG LYS 21 1HG LYS 21 -11.774 -3.683 5.021 171 1HD LYS 21 2HD LYS 21 -12.144 -6.092 4.809 172 2HD LYS 21 1HD LYS 21 -10.501 -5.742 5.336 173 1HE LYS 21 2HE LYS 21 -11.758 -7.638 6.512 174 2HE LYS 21 1HE LYS 21 -10.915 -6.459 7.515 175 1HZ LYS 21 1HZ LYS 21 -13.378 -7.161 8.013 176 2HZ LYS 21 2HZ LYS 21 -13.729 -5.963 6.871 177 3HZ LYS 21 3HZ LYS 21 -12.857 -5.571 8.266 178 H GLY 22 H GLY 22 -8.054 -4.046 7.719 179 1HA GLY 22 2HA GLY 22 -6.952 -1.894 9.203 180 2HA GLY 22 1HA GLY 22 -7.964 -2.891 10.230 181 H SER 23 H SER 23 -5.377 -3.199 7.853 182 HA SER 23 HA SER 23 -4.068 -5.120 9.615 183 1HB SER 23 2HB SER 23 -5.209 -5.732 7.096 184 2HB SER 23 1HB SER 23 -3.455 -5.797 6.911 185 HG SER 23 HG SER 23 -5.143 -7.338 8.528 186 H ARG 24 H ARG 24 -1.790 -5.607 8.211 187 HA ARG 24 HA ARG 24 -0.627 -2.929 7.876 188 1HB ARG 24 2HB ARG 24 0.618 -5.357 9.105 189 2HB ARG 24 1HB ARG 24 1.479 -3.867 8.777 190 1HG ARG 24 2HG ARG 24 -0.982 -3.559 10.345 191 2HG ARG 24 1HG ARG 24 0.303 -4.481 11.136 192 1HD ARG 24 2HD ARG 24 1.724 -2.410 10.142 193 2HD ARG 24 1HD ARG 24 0.174 -1.621 10.428 194 HE ARG 24 HE ARG 24 0.880 -3.110 12.702 195 1HH1 ARG 24 1HH1 ARG 24 1.860 -0.248 10.962 196 2HH1 ARG 24 2HH1 ARG 24 2.489 0.543 12.368 197 1HH2 ARG 24 1HH2 ARG 24 1.707 -2.070 14.553 198 2HH2 ARG 24 2HH2 ARG 24 2.401 -0.490 14.407 199 H VAL 25 H VAL 25 0.749 -2.564 6.219 200 HA VAL 25 HA VAL 25 1.438 -4.802 4.441 201 HB VAL 25 HB VAL 25 0.403 -2.142 3.458 202 1HG1 VAL 25 1HG1 VAL 25 1.330 -4.648 2.128 203 2HG1 VAL 25 2HG1 VAL 25 1.757 -2.975 1.779 204 3HG1 VAL 25 3HG1 VAL 25 0.167 -3.593 1.330 205 1HG2 VAL 25 1HG2 VAL 25 -1.041 -4.789 3.509 206 2HG2 VAL 25 2HG2 VAL 25 -1.651 -3.272 2.849 207 3HG2 VAL 25 3HG2 VAL 25 -1.372 -3.430 4.583 208 H THR 26 H THR 26 3.283 -4.293 2.988 209 HA THR 26 HA THR 26 5.071 -2.391 4.313 210 HB THR 26 HB THR 26 6.880 -3.538 3.233 211 HG1 THR 26 1HG THR 26 5.465 -3.909 1.305 212 1HG2 THR 26 1HG2 THR 26 6.559 -4.882 5.014 213 2HG2 THR 26 2HG2 THR 26 6.136 -6.038 3.752 214 3HG2 THR 26 3HG2 THR 26 4.866 -5.179 4.623 215 H VAL 27 H VAL 27 4.497 -0.431 3.526 216 HA VAL 27 HA VAL 27 4.520 -0.057 0.617 217 HB VAL 27 HB VAL 27 2.496 0.720 1.746 218 1HG1 VAL 27 1HG1 VAL 27 4.171 1.496 3.774 219 2HG1 VAL 27 2HG1 VAL 27 2.467 1.921 3.626 220 3HG1 VAL 27 3HG1 VAL 27 3.707 3.031 3.042 221 1HG2 VAL 27 1HG2 VAL 27 3.584 3.336 1.078 222 2HG2 VAL 27 2HG2 VAL 27 2.302 2.409 0.298 223 3HG2 VAL 27 3HG2 VAL 27 3.988 2.100 -0.113 224 H MET 28 H MET 28 6.608 0.318 0.000 225 HA MET 28 HA MET 28 7.740 2.831 0.661 226 1HB MET 28 2HB MET 28 9.918 1.828 1.567 227 2HB MET 28 1HB MET 28 8.542 1.932 2.665 228 1HG MET 28 2HG MET 28 8.380 -0.549 1.341 229 2HG MET 28 1HG MET 28 10.045 -0.352 1.879 230 1HE MET 28 1HE MET 28 10.848 -0.103 4.109 231 2HE MET 28 2HE MET 28 10.453 -1.821 4.173 232 3HE MET 28 3HE MET 28 10.046 -0.772 5.530 233 H GLU 29 H GLU 29 8.039 3.287 -1.420 234 HA GLU 29 HA GLU 29 10.122 1.806 -2.833 235 1HB GLU 29 2HB GLU 29 8.027 0.895 -3.702 236 2HB GLU 29 1HB GLU 29 7.446 2.517 -4.054 237 1HG GLU 29 2HG GLU 29 8.213 1.438 -6.072 238 2HG GLU 29 1HG GLU 29 9.253 2.803 -5.681 239 H LYS 30 H LYS 30 11.018 3.084 -4.670 240 HA LYS 30 HA LYS 30 10.483 5.942 -4.431 241 1HB LYS 30 2HB LYS 30 13.174 4.599 -4.291 242 2HB LYS 30 1HB LYS 30 12.999 6.292 -4.734 243 1HG LYS 30 2HG LYS 30 12.530 6.937 -2.626 244 2HG LYS 30 1HG LYS 30 11.624 5.464 -2.263 245 1HD LYS 30 2HD LYS 30 13.975 4.334 -2.373 246 2HD LYS 30 1HD LYS 30 14.566 5.975 -2.101 247 1HE LYS 30 2HE LYS 30 12.417 5.406 -0.292 248 2HE LYS 30 1HE LYS 30 13.627 4.129 -0.193 249 1HZ LYS 30 1HZ LYS 30 13.826 6.936 0.547 250 2HZ LYS 30 2HZ LYS 30 15.197 6.258 -0.174 251 3HZ LYS 30 3HZ LYS 30 14.561 5.577 1.239 252 H CYS 31 H CYS 31 9.420 6.056 -6.341 253 HA CYS 31 HA CYS 31 10.845 5.185 -8.759 254 1HB CYS 31 2HB CYS 31 8.504 4.305 -8.264 255 2HB CYS 31 1HB CYS 31 7.929 5.937 -8.585 256 HG CYS 31 HG CYS 31 7.893 4.248 -10.715 257 H SER 32 H SER 32 10.733 6.575 -10.648 258 HA SER 32 HA SER 32 11.146 9.344 -9.930 259 1HB SER 32 2HB SER 32 12.415 7.832 -11.713 260 2HB SER 32 1HB SER 32 11.151 8.450 -12.777 261 HG SER 32 HG SER 32 13.354 9.663 -12.128 262 H ASP 33 H ASP 33 8.485 7.516 -10.717 263 HA ASP 33 HA ASP 33 7.096 9.803 -11.934 264 1HB ASP 33 2HB ASP 33 7.043 6.957 -12.475 265 2HB ASP 33 1HB ASP 33 5.425 7.559 -12.109 266 H GLY 34 H GLY 34 4.661 9.749 -11.372 267 1HA GLY 34 2HA GLY 34 4.417 10.283 -8.613 268 2HA GLY 34 1HA GLY 34 3.089 10.202 -9.764 269 H TRP 35 H TRP 35 3.735 7.404 -10.494 270 HA TRP 35 HA TRP 35 2.213 6.162 -8.387 271 1HB TRP 35 2HB TRP 35 2.056 4.256 -9.828 272 2HB TRP 35 1HB TRP 35 1.860 5.690 -10.829 273 HD1 TRP 35 HD TRP 35 3.936 6.322 -12.469 274 HE1 TRP 35 1HE TRP 35 5.759 4.832 -13.512 275 HE3 TRP 35 3HE TRP 35 3.482 2.237 -9.429 276 HZ2 TRP 35 2HZ TRP 35 6.856 2.262 -13.100 277 HZ3 TRP 35 3HZ TRP 35 4.953 0.305 -9.821 278 HH2 TRP 35 HH TRP 35 6.605 0.318 -11.619 279 H TRP 36 H TRP 36 2.957 4.997 -6.746 280 HA TRP 36 HA TRP 36 5.798 4.295 -6.718 281 1HB TRP 36 2HB TRP 36 3.936 5.320 -4.673 282 2HB TRP 36 1HB TRP 36 5.044 4.072 -4.121 283 HD1 TRP 36 HD TRP 36 7.034 5.757 -6.585 284 HE1 TRP 36 1HE TRP 36 8.505 7.598 -5.549 285 HE3 TRP 36 3HE TRP 36 4.693 6.226 -2.062 286 HZ2 TRP 36 2HZ TRP 36 8.652 9.058 -3.140 287 HZ3 TRP 36 3HZ TRP 36 5.563 7.867 -0.449 288 HH2 TRP 36 HH TRP 36 7.501 9.253 -0.978 289 H ARG 37 H ARG 37 6.460 2.287 -5.915 290 HA ARG 37 HA ARG 37 4.470 0.179 -6.231 291 1HB ARG 37 2HB ARG 37 6.850 0.198 -7.306 292 2HB ARG 37 1HB ARG 37 7.366 -0.346 -5.714 293 1HG ARG 37 2HG ARG 37 7.000 -2.384 -6.559 294 2HG ARG 37 1HG ARG 37 5.328 -2.038 -6.147 295 1HD ARG 37 2HD ARG 37 4.700 -2.012 -8.284 296 2HD ARG 37 1HD ARG 37 6.044 -0.964 -8.741 297 HE ARG 37 HE ARG 37 7.193 -2.809 -9.454 298 1HH1 ARG 37 1HH1 ARG 37 4.543 -3.850 -7.436 299 2HH1 ARG 37 2HH1 ARG 37 4.766 -5.529 -7.793 300 1HH2 ARG 37 1HH2 ARG 37 7.488 -5.018 -9.925 301 2HH2 ARG 37 2HH2 ARG 37 6.438 -6.193 -9.205 302 H GLY 38 H GLY 38 4.197 -1.478 -4.703 303 1HA GLY 38 2HA GLY 38 5.314 -1.011 -2.034 304 2HA GLY 38 1HA GLY 38 3.563 -0.964 -2.201 305 H SER 39 H SER 39 5.006 -2.766 -0.550 306 HA SER 39 HA SER 39 4.373 -5.297 -1.900 307 1HB SER 39 2HB SER 39 6.639 -4.624 -0.037 308 2HB SER 39 1HB SER 39 6.070 -6.288 -0.219 309 HG SER 39 HG SER 39 7.209 -4.588 -2.167 310 H TYR 40 H TYR 40 3.477 -6.970 -0.627 311 HA TYR 40 HA TYR 40 2.435 -6.132 1.977 312 1HB TYR 40 2HB TYR 40 0.459 -7.705 0.573 313 2HB TYR 40 1HB TYR 40 0.290 -6.138 1.348 314 HD1 TYR 40 1HD TYR 40 -0.222 -7.763 -1.620 315 HD2 TYR 40 2HD TYR 40 1.559 -4.191 -0.159 316 HE1 TYR 40 1HE TYR 40 -0.526 -6.720 -3.821 317 HE2 TYR 40 2HE TYR 40 1.262 -3.138 -2.357 318 HH TYR 40 HH TYR 40 -0.715 -3.941 -4.529 319 H ASN 41 H ASN 41 2.354 -7.684 3.494 320 HA ASN 41 HA ASN 41 3.844 -10.038 3.168 321 1HB ASN 41 2HB ASN 41 2.378 -10.666 5.353 322 2HB ASN 41 1HB ASN 41 3.777 -9.597 5.399 323 1HD2 ASN 41 1HD2 ASN 41 0.573 -8.899 4.103 324 2HD2 ASN 41 2HD2 ASN 41 0.205 -7.631 5.217 325 H GLY 42 H GLY 42 3.036 -11.092 1.345 326 1HA GLY 42 2HA GLY 42 1.783 -13.297 1.234 327 2HA GLY 42 1HA GLY 42 0.384 -12.307 1.628 328 H GLN 43 H GLN 43 1.830 -10.157 -0.083 329 HA GLN 43 HA GLN 43 1.800 -11.105 -2.749 330 1HB GLN 43 2HB GLN 43 -0.261 -9.381 -3.167 331 2HB GLN 43 1HB GLN 43 -0.438 -11.130 -3.045 332 1HG GLN 43 2HG GLN 43 -1.109 -10.987 -0.783 333 2HG GLN 43 1HG GLN 43 -0.670 -9.281 -0.690 334 1HE2 GLN 43 1HE2 GLN 43 -3.043 -11.581 -1.575 335 2HE2 GLN 43 2HE2 GLN 43 -4.275 -10.462 -2.054 336 H ILE 44 H ILE 44 2.183 -9.387 -4.292 337 HA ILE 44 HA ILE 44 3.008 -6.844 -3.083 338 HB ILE 44 HB ILE 44 4.666 -8.782 -4.622 339 1HG1 ILE 44 2HG1 ILE 44 6.395 -7.815 -3.037 340 2HG1 ILE 44 1HG1 ILE 44 5.073 -6.900 -2.317 341 1HG2 ILE 44 1HG2 ILE 44 5.062 -5.794 -4.751 342 2HG2 ILE 44 2HG2 ILE 44 4.733 -6.875 -6.105 343 3HG2 ILE 44 3HG2 ILE 44 6.262 -6.990 -5.236 344 1HD1 ILE 44 1HD1 ILE 44 4.420 -9.700 -2.517 345 2HD1 ILE 44 2HD1 ILE 44 4.420 -8.634 -1.111 346 3HD1 ILE 44 3HD1 ILE 44 5.910 -9.436 -1.611 347 H GLY 45 H GLY 45 3.240 -5.073 -4.627 348 1HA GLY 45 2HA GLY 45 2.660 -5.137 -7.325 349 2HA GLY 45 1HA GLY 45 1.096 -5.067 -6.524 350 H TRP 46 H TRP 46 0.299 -3.126 -6.131 351 HA TRP 46 HA TRP 46 2.033 -0.788 -6.463 352 1HB TRP 46 2HB TRP 46 -0.162 -1.192 -7.763 353 2HB TRP 46 1HB TRP 46 -0.972 -0.751 -6.263 354 HD1 TRP 46 HD TRP 46 2.181 1.037 -7.564 355 HE1 TRP 46 1HE TRP 46 1.568 3.487 -8.066 356 HE3 TRP 46 3HE TRP 46 -2.866 0.788 -6.784 357 HZ2 TRP 46 2HZ TRP 46 -0.750 5.098 -8.127 358 HZ3 TRP 46 3HZ TRP 46 -4.209 2.828 -7.087 359 HH2 TRP 46 HH TRP 46 -3.172 4.938 -7.743 360 H PHE 47 H PHE 47 2.153 0.861 -4.958 361 HA PHE 47 HA PHE 47 1.982 0.115 -2.251 362 1HB PHE 47 2HB PHE 47 2.838 2.255 -1.734 363 2HB PHE 47 1HB PHE 47 3.545 1.826 -3.288 364 HD1 PHE 47 1HD PHE 47 2.960 4.572 -1.793 365 HD2 PHE 47 2HD PHE 47 1.186 2.489 -5.053 366 HE1 PHE 47 1HE PHE 47 2.166 6.707 -2.721 367 HE2 PHE 47 2HE PHE 47 0.391 4.621 -5.984 368 HZ PHE 47 HZ PHE 47 0.879 6.733 -4.820 369 HA PRO 48 HA PRO 48 -2.279 1.237 -1.560 370 1HB PRO 48 2HB PRO 48 -2.535 0.205 0.877 371 2HB PRO 48 1HB PRO 48 -2.269 -0.845 -0.518 372 1HG PRO 48 2HG PRO 48 -0.340 0.041 1.575 373 2HG PRO 48 1HG PRO 48 -0.487 -1.535 0.780 374 1HD PRO 48 2HD PRO 48 1.330 0.481 0.101 375 2HD PRO 48 1HD PRO 48 0.896 -0.910 -0.910 376 H SER 49 H SER 49 0.244 2.925 -0.557 377 HA SER 49 HA SER 49 -0.180 4.153 1.814 378 1HB SER 49 2HB SER 49 1.236 4.727 -0.577 379 2HB SER 49 1HB SER 49 0.498 6.222 0.007 380 HG SER 49 HG SER 49 1.452 5.725 2.071 381 H ASN 50 H ASN 50 -2.370 4.332 -0.840 382 HA ASN 50 HA ASN 50 -3.499 6.763 -0.817 383 1HB ASN 50 2HB ASN 50 -4.544 4.032 -1.135 384 2HB ASN 50 1HB ASN 50 -5.746 5.287 -0.867 385 1HD2 ASN 50 1HD2 ASN 50 -6.318 6.546 -2.509 386 2HD2 ASN 50 2HD2 ASN 50 -5.568 6.547 -4.062 387 H TYR 51 H TYR 51 -3.738 4.377 1.729 388 HA TYR 51 HA TYR 51 -4.505 6.418 3.591 389 1HB TYR 51 2HB TYR 51 -6.407 4.095 3.192 390 2HB TYR 51 1HB TYR 51 -6.568 5.396 4.370 391 HD1 TYR 51 1HD TYR 51 -7.083 7.707 3.581 392 HD2 TYR 51 2HD TYR 51 -7.149 4.363 0.952 393 HE1 TYR 51 1HE TYR 51 -8.395 9.013 1.961 394 HE2 TYR 51 2HE TYR 51 -8.459 5.661 -0.675 395 HH TYR 51 HH TYR 51 -8.660 8.750 -0.831 396 H VAL 52 H VAL 52 -2.243 5.378 3.854 397 HA VAL 52 HA VAL 52 -2.519 3.395 5.976 398 HB VAL 52 HB VAL 52 -0.997 1.883 5.170 399 1HG1 VAL 52 1HG1 VAL 52 -1.420 1.665 2.652 400 2HG1 VAL 52 2HG1 VAL 52 -2.445 3.086 2.844 401 3HG1 VAL 52 3HG1 VAL 52 -2.809 1.610 3.736 402 1HG2 VAL 52 1HG2 VAL 52 0.196 4.209 3.752 403 2HG2 VAL 52 2HG2 VAL 52 0.462 2.600 3.079 404 3HG2 VAL 52 3HG2 VAL 52 0.970 2.962 4.729 405 H LEU 53 H LEU 53 -0.554 3.176 7.316 406 HA LEU 53 HA LEU 53 0.731 5.781 7.667 407 1HB LEU 53 2HB LEU 53 -0.512 4.857 9.574 408 2HB LEU 53 1HB LEU 53 0.513 3.444 9.533 409 HG LEU 53 HG LEU 53 2.427 4.784 10.129 410 1HD1 LEU 53 1HD1 LEU 53 1.936 7.183 10.857 411 2HD1 LEU 53 2HD1 LEU 53 0.478 7.038 9.878 412 3HD1 LEU 53 3HD1 LEU 53 2.065 6.857 9.129 413 1HD2 LEU 53 1HD2 LEU 53 1.940 4.956 12.365 414 2HD2 LEU 53 2HD2 LEU 53 0.627 3.914 11.813 415 3HD2 LEU 53 3HD2 LEU 53 0.340 5.636 12.070 416 H GLU 54 H GLU 54 2.748 5.935 6.856 417 HA GLU 54 HA GLU 54 4.299 3.462 6.560 418 1HB GLU 54 2HB GLU 54 3.820 4.777 4.517 419 2HB GLU 54 1HB GLU 54 4.733 6.116 5.198 420 1HG GLU 54 2HG GLU 54 6.304 3.721 5.279 421 2HG GLU 54 1HG GLU 54 5.686 3.990 3.646 422 H GLU 55 H GLU 55 6.233 3.177 7.466 423 HA GLU 55 HA GLU 55 7.433 5.397 8.944 424 1HB GLU 55 2HB GLU 55 7.714 2.625 9.980 425 2HB GLU 55 1HB GLU 55 7.695 4.143 10.861 426 1HG GLU 55 2HG GLU 55 5.180 4.067 9.909 427 2HG GLU 55 1HG GLU 55 5.517 2.352 10.117 428 H VAL 56 H VAL 56 9.369 5.826 8.080 429 HA VAL 56 HA VAL 56 10.736 3.842 6.501 430 HB VAL 56 HB VAL 56 11.831 6.560 7.170 431 1HG1 VAL 56 1HG1 VAL 56 12.856 6.334 4.939 432 2HG1 VAL 56 2HG1 VAL 56 12.138 4.729 4.791 433 3HG1 VAL 56 3HG1 VAL 56 13.345 5.044 6.038 434 1HG2 VAL 56 1HG2 VAL 56 9.629 7.047 6.426 435 2HG2 VAL 56 2HG2 VAL 56 9.725 5.846 5.139 436 3HG2 VAL 56 3HG2 VAL 56 10.696 7.316 5.048 437 H ASP 57 H ASP 57 11.144 2.355 8.270 438 HA ASP 57 HA ASP 57 12.757 3.014 10.485 439 1HB ASP 57 2HB ASP 57 11.298 0.978 10.283 440 2HB ASP 57 1HB ASP 57 12.494 0.299 9.184 Start of MODEL 2 1 1H ILE 1 1HT ILE 1 10.049 -2.785 7.744 2 2H ILE 1 2HT ILE 1 9.355 -4.085 8.622 3 3H ILE 1 3HT ILE 1 10.579 -3.119 9.340 4 HA ILE 1 HA ILE 1 8.365 -2.636 10.145 5 HB ILE 1 HB ILE 1 8.526 -0.086 9.342 6 1HG1 ILE 1 2HG1 ILE 1 11.024 0.355 9.008 7 2HG1 ILE 1 1HG1 ILE 1 11.162 -1.352 8.603 8 1HG2 ILE 1 1HG2 ILE 1 10.724 -1.056 11.103 9 2HG2 ILE 1 2HG2 ILE 1 9.048 -1.323 11.584 10 3HG2 ILE 1 3HG2 ILE 1 9.636 0.317 11.307 11 1HD1 ILE 1 1HD1 ILE 1 9.219 0.420 7.181 12 2HD1 ILE 1 2HD1 ILE 1 9.918 -1.112 6.657 13 3HD1 ILE 1 3HD1 ILE 1 10.915 0.342 6.703 14 HA PRO 2 HA PRO 2 5.412 -2.637 6.751 15 1HB PRO 2 2HB PRO 2 3.268 -3.355 8.161 16 2HB PRO 2 1HB PRO 2 4.571 -4.505 7.847 17 1HG PRO 2 2HG PRO 2 3.965 -2.959 10.328 18 2HG PRO 2 1HG PRO 2 4.525 -4.632 10.158 19 1HD PRO 2 2HD PRO 2 6.140 -2.439 10.737 20 2HD PRO 2 1HD PRO 2 6.710 -3.999 10.115 21 H ALA 3 H ALA 3 2.856 -1.857 6.987 22 HA ALA 3 HA ALA 3 2.917 0.843 8.104 23 1HB ALA 3 1HB ALA 3 1.277 0.977 5.844 24 2HB ALA 3 2HB ALA 3 2.717 0.096 5.336 25 3HB ALA 3 3HB ALA 3 2.873 1.698 6.053 26 H PHE 4 H PHE 4 0.782 1.744 8.580 27 HA PHE 4 HA PHE 4 -1.154 -0.350 9.208 28 1HB PHE 4 2HB PHE 4 -0.007 1.419 10.906 29 2HB PHE 4 1HB PHE 4 -1.484 2.273 10.470 30 HD1 PHE 4 1HD PHE 4 -3.284 -0.111 10.121 31 HD2 PHE 4 2HD PHE 4 -0.458 0.888 13.143 32 HE1 PHE 4 1HE PHE 4 -4.549 -1.459 11.745 33 HE2 PHE 4 2HE PHE 4 -1.717 -0.459 14.771 34 HZ PHE 4 HZ PHE 4 -3.765 -1.635 14.073 35 H VAL 5 H VAL 5 -2.856 -0.455 7.915 36 HA VAL 5 HA VAL 5 -3.608 1.781 6.254 37 HB VAL 5 HB VAL 5 -4.952 -0.906 6.540 38 1HG1 VAL 5 1HG1 VAL 5 -5.515 -0.146 4.045 39 2HG1 VAL 5 2HG1 VAL 5 -5.389 1.446 4.793 40 3HG1 VAL 5 3HG1 VAL 5 -6.542 0.266 5.418 41 1HG2 VAL 5 1HG2 VAL 5 -2.456 -0.729 5.775 42 2HG2 VAL 5 2HG2 VAL 5 -3.172 -0.182 4.260 43 3HG2 VAL 5 3HG2 VAL 5 -3.584 -1.771 4.906 44 H LYS 6 H LYS 6 -5.611 2.831 6.240 45 HA LYS 6 HA LYS 6 -7.006 2.780 8.823 46 1HB LYS 6 2HB LYS 6 -7.125 4.968 6.755 47 2HB LYS 6 1HB LYS 6 -7.653 5.047 8.429 48 1HG LYS 6 2HG LYS 6 -5.603 5.528 9.179 49 2HG LYS 6 1HG LYS 6 -4.831 4.357 8.109 50 1HD LYS 6 2HD LYS 6 -4.123 6.633 7.576 51 2HD LYS 6 1HD LYS 6 -5.037 5.927 6.241 52 1HE LYS 6 2HE LYS 6 -7.067 7.096 7.140 53 2HE LYS 6 1HE LYS 6 -6.006 7.927 8.277 54 1HZ LYS 6 1HZ LYS 6 -4.956 9.080 6.574 55 2HZ LYS 6 2HZ LYS 6 -6.580 9.094 6.100 56 3HZ LYS 6 3HZ LYS 6 -5.496 8.019 5.370 57 H PHE 7 H PHE 7 -7.529 2.869 5.352 58 HA PHE 7 HA PHE 7 -10.245 1.871 5.792 59 1HB PHE 7 2HB PHE 7 -9.523 4.276 4.538 60 2HB PHE 7 1HB PHE 7 -9.992 3.177 3.242 61 HD1 PHE 7 1HD PHE 7 -11.194 4.170 6.636 62 HD2 PHE 7 2HD PHE 7 -12.191 3.195 2.614 63 HE1 PHE 7 1HE PHE 7 -13.566 4.606 7.122 64 HE2 PHE 7 2HE PHE 7 -14.565 3.631 3.093 65 HZ PHE 7 HZ PHE 7 -15.255 4.337 5.349 66 H ALA 8 H ALA 8 -11.094 0.485 4.105 67 HA ALA 8 HA ALA 8 -8.959 -1.022 2.794 68 1HB ALA 8 1HB ALA 8 -10.051 -2.961 3.222 69 2HB ALA 8 2HB ALA 8 -11.645 -2.216 3.113 70 3HB ALA 8 3HB ALA 8 -10.667 -1.999 4.563 71 H TYR 9 H TYR 9 -9.100 -1.596 0.652 72 HA TYR 9 HA TYR 9 -11.376 -0.534 -0.876 73 1HB TYR 9 2HB TYR 9 -8.984 0.682 -0.952 74 2HB TYR 9 1HB TYR 9 -8.694 -0.565 -2.166 75 HD1 TYR 9 1HD TYR 9 -10.170 2.622 -1.498 76 HD2 TYR 9 2HD TYR 9 -10.334 -0.726 -4.118 77 HE1 TYR 9 1HE TYR 9 -11.332 3.998 -3.173 78 HE2 TYR 9 2HE TYR 9 -11.495 0.642 -5.802 79 HH TYR 9 HH TYR 9 -12.962 2.750 -5.769 80 H VAL 10 H VAL 10 -12.373 -2.122 -1.947 81 HA VAL 10 HA VAL 10 -11.026 -4.655 -2.323 82 HB VAL 10 HB VAL 10 -13.221 -5.488 -3.080 83 1HG1 VAL 10 1HG1 VAL 10 -13.158 -5.904 -0.864 84 2HG1 VAL 10 2HG1 VAL 10 -14.419 -4.672 -0.807 85 3HG1 VAL 10 3HG1 VAL 10 -12.745 -4.240 -0.454 86 1HG2 VAL 10 1HG2 VAL 10 -13.772 -2.648 -3.263 87 2HG2 VAL 10 2HG2 VAL 10 -15.000 -3.497 -2.323 88 3HG2 VAL 10 3HG2 VAL 10 -14.637 -4.013 -3.970 89 H ALA 11 H ALA 11 -9.752 -4.808 -4.043 90 HA ALA 11 HA ALA 11 -10.505 -5.053 -6.628 91 1HB ALA 11 1HB ALA 11 -9.674 -2.756 -7.544 92 2HB ALA 11 2HB ALA 11 -10.149 -2.172 -5.949 93 3HB ALA 11 3HB ALA 11 -11.341 -2.942 -6.997 94 H GLU 12 H GLU 12 -8.809 -6.341 -7.130 95 HA GLU 12 HA GLU 12 -6.130 -5.165 -6.753 96 1HB GLU 12 2HB GLU 12 -6.699 -8.126 -6.677 97 2HB GLU 12 1HB GLU 12 -5.211 -7.301 -6.236 98 1HG GLU 12 2HG GLU 12 -5.900 -6.935 -4.154 99 2HG GLU 12 1HG GLU 12 -7.493 -6.398 -4.684 100 H ARG 13 H ARG 13 -5.344 -4.657 -8.620 101 HA ARG 13 HA ARG 13 -5.115 -6.512 -10.771 102 1HB ARG 13 2HB ARG 13 -7.178 -5.824 -11.576 103 2HB ARG 13 1HB ARG 13 -7.026 -4.223 -10.868 104 1HG ARG 13 2HG ARG 13 -5.123 -4.785 -13.026 105 2HG ARG 13 1HG ARG 13 -6.820 -4.769 -13.506 106 1HD ARG 13 2HD ARG 13 -6.157 -2.576 -11.724 107 2HD ARG 13 1HD ARG 13 -5.176 -2.566 -13.187 108 HE ARG 13 HE ARG 13 -7.637 -2.913 -14.181 109 1HH1 ARG 13 1HH1 ARG 13 -6.397 -0.648 -11.831 110 2HH1 ARG 13 2HH1 ARG 13 -7.542 0.587 -12.235 111 1HH2 ARG 13 1HH2 ARG 13 -9.139 -1.288 -14.713 112 2HH2 ARG 13 2HH2 ARG 13 -9.097 0.225 -13.871 113 H GLU 14 H GLU 14 -3.536 -5.702 -12.373 114 HA GLU 14 HA GLU 14 -1.499 -4.147 -11.177 115 1HB GLU 14 2HB GLU 14 -0.578 -4.064 -13.546 116 2HB GLU 14 1HB GLU 14 -0.853 -5.673 -12.887 117 1HG GLU 14 2HG GLU 14 -3.245 -5.000 -14.136 118 2HG GLU 14 1HG GLU 14 -1.984 -4.417 -15.222 119 H ASP 15 H ASP 15 -1.917 -2.079 -10.614 120 HA ASP 15 HA ASP 15 -1.737 0.160 -11.763 121 1HB ASP 15 2HB ASP 15 -2.932 -0.330 -13.774 122 2HB ASP 15 1HB ASP 15 -4.363 -0.826 -12.872 123 H GLU 16 H GLU 16 -4.524 -1.432 -10.275 124 HA GLU 16 HA GLU 16 -5.003 0.945 -8.660 125 1HB GLU 16 2HB GLU 16 -7.166 0.393 -8.847 126 2HB GLU 16 1HB GLU 16 -6.693 -0.931 -9.892 127 1HG GLU 16 2HG GLU 16 -6.780 -1.219 -6.912 128 2HG GLU 16 1HG GLU 16 -8.206 -1.412 -7.926 129 H LEU 17 H LEU 17 -5.113 0.844 -6.381 130 HA LEU 17 HA LEU 17 -3.539 -1.370 -5.263 131 1HB LEU 17 2HB LEU 17 -2.974 0.257 -3.427 132 2HB LEU 17 1HB LEU 17 -2.309 0.632 -5.008 133 HG LEU 17 HG LEU 17 -4.603 2.081 -5.088 134 1HD1 LEU 17 1HD1 LEU 17 -4.650 1.275 -2.512 135 2HD1 LEU 17 2HD1 LEU 17 -5.355 2.782 -3.093 136 3HD1 LEU 17 3HD1 LEU 17 -3.748 2.783 -2.368 137 1HD2 LEU 17 1HD2 LEU 17 -3.164 3.774 -5.328 138 2HD2 LEU 17 2HD2 LEU 17 -1.901 2.564 -5.105 139 3HD2 LEU 17 3HD2 LEU 17 -2.460 3.519 -3.731 140 H SER 18 H SER 18 -4.576 -2.722 -3.963 141 HA SER 18 HA SER 18 -7.192 -2.051 -2.943 142 1HB SER 18 2HB SER 18 -7.539 -4.316 -2.660 143 2HB SER 18 1HB SER 18 -6.330 -4.342 -3.949 144 HG SER 18 HG SER 18 -5.354 -5.620 -2.568 145 H LEU 19 H LEU 19 -7.780 -2.026 -0.751 146 HA LEU 19 HA LEU 19 -5.531 -1.872 1.146 147 1HB LEU 19 2HB LEU 19 -7.976 -0.159 1.419 148 2HB LEU 19 1HB LEU 19 -6.400 0.043 2.169 149 HG LEU 19 HG LEU 19 -7.005 0.440 -0.756 150 1HD1 LEU 19 1HD1 LEU 19 -7.019 2.238 1.581 151 2HD1 LEU 19 2HD1 LEU 19 -7.904 2.345 0.060 152 3HD1 LEU 19 3HD1 LEU 19 -6.214 2.844 0.134 153 1HD2 LEU 19 1HD2 LEU 19 -4.519 0.326 0.820 154 2HD2 LEU 19 2HD2 LEU 19 -4.647 1.648 -0.341 155 3HD2 LEU 19 3HD2 LEU 19 -4.802 -0.021 -0.886 156 H VAL 20 H VAL 20 -5.955 -2.442 3.298 157 HA VAL 20 HA VAL 20 -8.154 -4.355 3.577 158 HB VAL 20 HB VAL 20 -6.031 -3.955 5.651 159 1HG1 VAL 20 1HG1 VAL 20 -7.284 -5.575 6.548 160 2HG1 VAL 20 2HG1 VAL 20 -6.526 -6.638 5.362 161 3HG1 VAL 20 3HG1 VAL 20 -8.098 -5.916 5.020 162 1HG2 VAL 20 1HG2 VAL 20 -4.710 -5.734 4.461 163 2HG2 VAL 20 2HG2 VAL 20 -4.713 -4.151 3.681 164 3HG2 VAL 20 3HG2 VAL 20 -5.731 -5.447 3.052 165 H LYS 21 H LYS 21 -9.296 -4.462 5.674 166 HA LYS 21 HA LYS 21 -10.247 -1.843 6.412 167 1HB LYS 21 2HB LYS 21 -11.022 -4.586 7.415 168 2HB LYS 21 1HB LYS 21 -11.849 -3.092 7.829 169 1HG LYS 21 2HG LYS 21 -13.149 -4.063 6.151 170 2HG LYS 21 1HG LYS 21 -12.241 -2.791 5.338 171 1HD LYS 21 2HD LYS 21 -12.334 -4.920 4.063 172 2HD LYS 21 1HD LYS 21 -10.696 -4.400 4.432 173 1HE LYS 21 2HE LYS 21 -10.290 -6.193 5.729 174 2HE LYS 21 1HE LYS 21 -11.899 -6.154 6.449 175 1HZ LYS 21 1HZ LYS 21 -11.094 -8.047 4.774 176 2HZ LYS 21 2HZ LYS 21 -11.768 -6.965 3.662 177 3HZ LYS 21 3HZ LYS 21 -12.712 -7.577 4.925 178 H GLY 22 H GLY 22 -8.253 -4.344 7.859 179 1HA GLY 22 2HA GLY 22 -7.288 -2.475 9.812 180 2HA GLY 22 1HA GLY 22 -8.263 -3.754 10.504 181 H SER 23 H SER 23 -5.622 -3.390 8.190 182 HA SER 23 HA SER 23 -4.120 -5.412 9.637 183 1HB SER 23 2HB SER 23 -5.200 -5.708 6.945 184 2HB SER 23 1HB SER 23 -3.472 -6.042 7.047 185 HG SER 23 HG SER 23 -4.132 -7.398 8.935 186 H ARG 24 H ARG 24 -1.847 -5.599 8.334 187 HA ARG 24 HA ARG 24 -0.960 -2.827 7.930 188 1HB ARG 24 2HB ARG 24 0.578 -5.070 9.180 189 2HB ARG 24 1HB ARG 24 1.193 -3.453 8.907 190 1HG ARG 24 2HG ARG 24 -1.297 -3.469 10.405 191 2HG ARG 24 1HG ARG 24 -0.008 -4.378 11.203 192 1HD ARG 24 2HD ARG 24 1.372 -2.198 10.472 193 2HD ARG 24 1HD ARG 24 -0.230 -1.482 10.642 194 HE ARG 24 HE ARG 24 -0.067 -1.739 12.911 195 1HH1 ARG 24 1HH1 ARG 24 2.393 -3.680 11.376 196 2HH1 ARG 24 2HH1 ARG 24 3.181 -4.081 12.865 197 1HH2 ARG 24 1HH2 ARG 24 0.970 -2.265 14.870 198 2HH2 ARG 24 2HH2 ARG 24 2.375 -3.278 14.847 199 H VAL 25 H VAL 25 -0.044 -2.376 6.054 200 HA VAL 25 HA VAL 25 0.860 -4.616 4.354 201 HB VAL 25 HB VAL 25 -0.049 -1.869 3.475 202 1HG1 VAL 25 1HG1 VAL 25 0.808 -4.322 1.979 203 2HG1 VAL 25 2HG1 VAL 25 1.415 -2.673 1.835 204 3HG1 VAL 25 3HG1 VAL 25 -0.194 -3.076 1.237 205 1HG2 VAL 25 1HG2 VAL 25 -2.026 -2.815 4.177 206 2HG2 VAL 25 2HG2 VAL 25 -1.505 -4.454 3.786 207 3HG2 VAL 25 3HG2 VAL 25 -1.964 -3.343 2.495 208 H THR 26 H THR 26 2.730 -4.067 2.866 209 HA THR 26 HA THR 26 4.580 -2.297 4.321 210 HB THR 26 HB THR 26 5.973 -4.049 4.218 211 HG1 THR 26 1HG THR 26 5.905 -3.304 1.545 212 1HG2 THR 26 1HG2 THR 26 4.064 -5.296 2.290 213 2HG2 THR 26 2HG2 THR 26 4.350 -5.715 3.976 214 3HG2 THR 26 3HG2 THR 26 5.582 -6.053 2.761 215 H VAL 27 H VAL 27 4.184 -0.322 3.418 216 HA VAL 27 HA VAL 27 4.405 -0.109 0.497 217 HB VAL 27 HB VAL 27 2.368 0.860 1.518 218 1HG1 VAL 27 1HG1 VAL 27 2.424 2.738 2.949 219 2HG1 VAL 27 2HG1 VAL 27 4.155 2.956 2.724 220 3HG1 VAL 27 3HG1 VAL 27 3.552 1.573 3.637 221 1HG2 VAL 27 1HG2 VAL 27 3.778 3.258 0.553 222 2HG2 VAL 27 2HG2 VAL 27 2.292 2.502 -0.024 223 3HG2 VAL 27 3HG2 VAL 27 3.860 1.846 -0.499 224 H MET 28 H MET 28 6.419 0.391 -0.225 225 HA MET 28 HA MET 28 7.707 2.733 0.724 226 1HB MET 28 2HB MET 28 9.751 1.722 1.615 227 2HB MET 28 1HB MET 28 8.335 1.290 2.573 228 1HG MET 28 2HG MET 28 8.638 -0.668 0.570 229 2HG MET 28 1HG MET 28 10.223 -0.409 1.297 230 1HE MET 28 1HE MET 28 10.002 -3.037 1.912 231 2HE MET 28 2HE MET 28 8.321 -3.149 1.391 232 3HE MET 28 3HE MET 28 8.781 -3.683 3.007 233 H GLU 29 H GLU 29 7.988 3.443 -1.271 234 HA GLU 29 HA GLU 29 10.014 2.127 -2.903 235 1HB GLU 29 2HB GLU 29 7.856 1.421 -3.869 236 2HB GLU 29 1HB GLU 29 7.382 3.107 -4.034 237 1HG GLU 29 2HG GLU 29 8.160 2.140 -6.145 238 2HG GLU 29 1HG GLU 29 9.159 3.493 -5.619 239 H LYS 30 H LYS 30 10.942 3.697 -4.532 240 HA LYS 30 HA LYS 30 10.359 6.464 -3.853 241 1HB LYS 30 2HB LYS 30 12.860 5.051 -3.258 242 2HB LYS 30 1HB LYS 30 13.074 6.592 -4.077 243 1HG LYS 30 2HG LYS 30 12.090 7.793 -2.342 244 2HG LYS 30 1HG LYS 30 11.313 6.357 -1.667 245 1HD LYS 30 2HD LYS 30 14.223 6.150 -1.778 246 2HD LYS 30 1HD LYS 30 13.659 7.492 -0.781 247 1HE LYS 30 2HE LYS 30 13.618 5.846 0.788 248 2HE LYS 30 1HE LYS 30 12.002 5.626 0.119 249 1HZ LYS 30 1HZ LYS 30 14.423 4.004 -0.348 250 2HZ LYS 30 2HZ LYS 30 13.135 3.975 -1.444 251 3HZ LYS 30 3HZ LYS 30 12.892 3.499 0.161 252 H CYS 31 H CYS 31 9.489 6.884 -5.791 253 HA CYS 31 HA CYS 31 11.194 6.581 -8.169 254 1HB CYS 31 2HB CYS 31 8.273 6.413 -7.720 255 2HB CYS 31 1HB CYS 31 8.762 7.283 -9.170 256 HG CYS 31 HG CYS 31 9.211 4.266 -8.667 257 H SER 32 H SER 32 11.210 8.443 -9.684 258 HA SER 32 HA SER 32 11.123 10.933 -8.155 259 1HB SER 32 2HB SER 32 13.173 10.690 -9.324 260 2HB SER 32 1HB SER 32 12.357 10.178 -10.803 261 HG SER 32 HG SER 32 11.973 12.742 -9.673 262 H ASP 33 H ASP 33 9.888 9.582 -11.204 263 HA ASP 33 HA ASP 33 7.533 11.262 -10.942 264 1HB ASP 33 2HB ASP 33 9.623 11.685 -12.978 265 2HB ASP 33 1HB ASP 33 7.975 11.619 -13.609 266 H GLY 34 H GLY 34 6.173 9.450 -10.765 267 1HA GLY 34 2HA GLY 34 5.062 8.331 -12.941 268 2HA GLY 34 1HA GLY 34 6.453 7.300 -12.649 269 H TRP 35 H TRP 35 5.296 5.536 -12.241 270 HA TRP 35 HA TRP 35 3.176 5.398 -10.321 271 1HB TRP 35 2HB TRP 35 3.196 2.998 -10.845 272 2HB TRP 35 1HB TRP 35 3.199 3.976 -12.307 273 HD1 TRP 35 HD TRP 35 6.578 4.403 -11.603 274 HE1 TRP 35 1HE TRP 35 8.077 2.564 -12.589 275 HE3 TRP 35 3HE TRP 35 3.031 0.817 -12.474 276 HZ2 TRP 35 2HZ TRP 35 7.808 -0.059 -13.596 277 HZ3 TRP 35 3HZ TRP 35 3.737 -1.328 -13.450 278 HH2 TRP 35 HH TRP 35 6.078 -1.756 -14.000 279 H TRP 36 H TRP 36 3.226 4.776 -8.243 280 HA TRP 36 HA TRP 36 5.819 4.201 -7.050 281 1HB TRP 36 2HB TRP 36 3.515 5.674 -6.202 282 2HB TRP 36 1HB TRP 36 3.812 4.371 -5.056 283 HD1 TRP 36 HD TRP 36 6.400 6.606 -6.887 284 HE1 TRP 36 1HE TRP 36 7.894 7.706 -5.094 285 HE3 TRP 36 3HE TRP 36 4.079 4.833 -2.693 286 HZ2 TRP 36 2HZ TRP 36 8.060 7.807 -2.281 287 HZ3 TRP 36 3HZ TRP 36 4.966 5.477 -0.490 288 HH2 TRP 36 HH TRP 36 6.916 6.934 -0.290 289 H ARG 37 H ARG 37 6.331 2.242 -6.260 290 HA ARG 37 HA ARG 37 4.308 0.138 -6.461 291 1HB ARG 37 2HB ARG 37 6.674 0.039 -7.559 292 2HB ARG 37 1HB ARG 37 7.191 -0.426 -5.942 293 1HG ARG 37 2HG ARG 37 6.768 -2.494 -6.705 294 2HG ARG 37 1HG ARG 37 5.124 -2.092 -6.236 295 1HD ARG 37 2HD ARG 37 4.399 -2.100 -8.347 296 2HD ARG 37 1HD ARG 37 5.786 -1.170 -8.914 297 HE ARG 37 HE ARG 37 5.431 -3.986 -9.097 298 1HH1 ARG 37 1HH1 ARG 37 7.860 -1.518 -8.662 299 2HH1 ARG 37 2HH1 ARG 37 9.136 -2.479 -9.330 300 1HH2 ARG 37 1HH2 ARG 37 7.107 -5.252 -9.976 301 2HH2 ARG 37 2HH2 ARG 37 8.708 -4.598 -10.078 302 H GLY 38 H GLY 38 4.021 -1.409 -4.839 303 1HA GLY 38 2HA GLY 38 5.125 -0.757 -2.196 304 2HA GLY 38 1HA GLY 38 3.375 -0.799 -2.386 305 H SER 39 H SER 39 4.611 -2.411 -0.552 306 HA SER 39 HA SER 39 4.414 -5.084 -1.770 307 1HB SER 39 2HB SER 39 5.688 -4.995 0.861 308 2HB SER 39 1HB SER 39 6.233 -5.776 -0.617 309 HG SER 39 HG SER 39 7.631 -4.221 -0.713 310 H TYR 40 H TYR 40 3.448 -6.744 -0.451 311 HA TYR 40 HA TYR 40 1.882 -5.870 1.831 312 1HB TYR 40 2HB TYR 40 0.462 -5.366 -0.130 313 2HB TYR 40 1HB TYR 40 0.568 -7.053 -0.617 314 HD1 TYR 40 1HD TYR 40 -0.208 -8.782 1.241 315 HD2 TYR 40 2HD TYR 40 -1.364 -4.690 1.097 316 HE1 TYR 40 1HE TYR 40 -2.183 -9.297 2.612 317 HE2 TYR 40 2HE TYR 40 -3.340 -5.194 2.467 318 HH TYR 40 HH TYR 40 -4.775 -7.221 2.954 319 H ASN 41 H ASN 41 1.284 -7.515 3.192 320 HA ASN 41 HA ASN 41 2.890 -9.801 3.252 321 1HB ASN 41 2HB ASN 41 1.148 -10.595 4.987 322 2HB ASN 41 1HB ASN 41 2.044 -9.114 5.331 323 1HD2 ASN 41 1HD2 ASN 41 0.995 -7.114 5.096 324 2HD2 ASN 41 2HD2 ASN 41 -0.726 -6.989 5.125 325 H GLY 42 H GLY 42 2.691 -10.820 1.227 326 1HA GLY 42 2HA GLY 42 1.488 -13.090 0.867 327 2HA GLY 42 1HA GLY 42 0.111 -12.033 0.606 328 H GLN 43 H GLN 43 1.628 -9.963 -0.688 329 HA GLN 43 HA GLN 43 3.031 -10.983 -2.921 330 1HB GLN 43 2HB GLN 43 1.244 -10.264 -4.619 331 2HB GLN 43 1HB GLN 43 1.028 -11.812 -3.806 332 1HG GLN 43 2HG GLN 43 -0.415 -10.467 -2.138 333 2HG GLN 43 1HG GLN 43 -0.460 -9.250 -3.418 334 1HE2 GLN 43 1HE2 GLN 43 -1.791 -12.095 -2.215 335 2HE2 GLN 43 2HE2 GLN 43 -2.804 -12.489 -3.562 336 H ILE 44 H ILE 44 3.306 -9.256 -4.646 337 HA ILE 44 HA ILE 44 3.393 -6.625 -3.329 338 HB ILE 44 HB ILE 44 5.289 -8.015 -5.164 339 1HG1 ILE 44 2HG1 ILE 44 6.912 -6.830 -3.635 340 2HG1 ILE 44 1HG1 ILE 44 5.513 -6.241 -2.736 341 1HG2 ILE 44 1HG2 ILE 44 4.881 -6.095 -6.500 342 2HG2 ILE 44 2HG2 ILE 44 6.385 -5.793 -5.629 343 3HG2 ILE 44 3HG2 ILE 44 4.888 -5.031 -5.093 344 1HD1 ILE 44 1HD1 ILE 44 5.141 -8.233 -1.758 345 2HD1 ILE 44 2HD1 ILE 44 6.853 -8.471 -2.108 346 3HD1 ILE 44 3HD1 ILE 44 5.631 -9.149 -3.183 347 H GLY 45 H GLY 45 2.970 -4.749 -4.590 348 1HA GLY 45 2HA GLY 45 1.999 -4.972 -7.282 349 2HA GLY 45 1HA GLY 45 0.688 -4.801 -6.122 350 H TRP 46 H TRP 46 -0.035 -2.796 -6.073 351 HA TRP 46 HA TRP 46 1.772 -0.582 -6.653 352 1HB TRP 46 2HB TRP 46 -0.664 -1.135 -7.664 353 2HB TRP 46 1HB TRP 46 -1.141 -0.145 -6.287 354 HD1 TRP 46 HD TRP 46 -0.150 2.373 -6.231 355 HE1 TRP 46 1HE TRP 46 0.441 3.975 -8.169 356 HE3 TRP 46 3HE TRP 46 0.191 -1.041 -9.998 357 HZ2 TRP 46 2HZ TRP 46 0.969 3.793 -10.941 358 HZ3 TRP 46 3HZ TRP 46 0.741 -0.258 -12.264 359 HH2 TRP 46 HH TRP 46 1.121 2.110 -12.725 360 H PHE 47 H PHE 47 2.009 1.175 -5.256 361 HA PHE 47 HA PHE 47 2.003 0.626 -2.525 362 1HB PHE 47 2HB PHE 47 2.793 2.804 -2.184 363 2HB PHE 47 1HB PHE 47 3.338 2.404 -3.811 364 HD1 PHE 47 1HD PHE 47 1.567 3.090 -5.696 365 HD2 PHE 47 2HD PHE 47 1.904 4.884 -1.859 366 HE1 PHE 47 1HE PHE 47 0.480 5.122 -6.558 367 HE2 PHE 47 2HE PHE 47 0.818 6.920 -2.708 368 HZ PHE 47 HZ PHE 47 0.104 7.041 -5.062 369 HA PRO 48 HA PRO 48 -2.346 1.513 -1.823 370 1HB PRO 48 2HB PRO 48 -2.642 0.017 0.367 371 2HB PRO 48 1HB PRO 48 -2.455 -0.726 -1.225 372 1HG PRO 48 2HG PRO 48 -0.477 -0.450 0.983 373 2HG PRO 48 1HG PRO 48 -0.686 -1.767 -0.182 374 1HD PRO 48 2HD PRO 48 1.202 0.312 -0.333 375 2HD PRO 48 1HD PRO 48 0.771 -0.814 -1.634 376 H SER 49 H SER 49 0.176 2.948 -0.608 377 HA SER 49 HA SER 49 -0.341 3.705 2.000 378 1HB SER 49 2HB SER 49 1.440 4.425 -0.066 379 2HB SER 49 1HB SER 49 0.762 5.920 0.587 380 HG SER 49 HG SER 49 2.415 5.510 1.922 381 H ASN 50 H ASN 50 -2.336 4.314 -0.641 382 HA ASN 50 HA ASN 50 -3.214 6.854 -0.536 383 1HB ASN 50 2HB ASN 50 -4.459 4.259 -1.077 384 2HB ASN 50 1HB ASN 50 -5.592 5.540 -0.665 385 1HD2 ASN 50 1HD2 ASN 50 -5.710 7.368 -1.971 386 2HD2 ASN 50 2HD2 ASN 50 -5.133 7.348 -3.594 387 H TYR 51 H TYR 51 -3.645 4.396 1.896 388 HA TYR 51 HA TYR 51 -4.350 6.420 3.814 389 1HB TYR 51 2HB TYR 51 -6.309 4.164 3.325 390 2HB TYR 51 1HB TYR 51 -6.444 5.422 4.555 391 HD1 TYR 51 1HD TYR 51 -6.680 7.841 3.747 392 HD2 TYR 51 2HD TYR 51 -7.230 4.480 1.200 393 HE1 TYR 51 1HE TYR 51 -7.936 9.250 2.168 394 HE2 TYR 51 2HE TYR 51 -8.486 5.877 -0.386 395 HH TYR 51 HH TYR 51 -8.720 8.225 -0.988 396 H VAL 52 H VAL 52 -2.125 5.333 4.064 397 HA VAL 52 HA VAL 52 -2.438 3.310 6.132 398 HB VAL 52 HB VAL 52 -1.011 1.757 5.271 399 1HG1 VAL 52 1HG1 VAL 52 -2.112 3.143 2.839 400 2HG1 VAL 52 2HG1 VAL 52 -2.841 1.815 3.741 401 3HG1 VAL 52 3HG1 VAL 52 -1.367 1.545 2.812 402 1HG2 VAL 52 1HG2 VAL 52 0.598 2.470 3.313 403 2HG2 VAL 52 2HG2 VAL 52 1.027 2.767 4.998 404 3HG2 VAL 52 3HG2 VAL 52 0.371 4.073 4.011 405 H LEU 53 H LEU 53 -0.449 3.045 7.478 406 HA LEU 53 HA LEU 53 0.868 5.643 7.815 407 1HB LEU 53 2HB LEU 53 -0.248 3.694 9.617 408 2HB LEU 53 1HB LEU 53 1.436 3.980 10.004 409 HG LEU 53 HG LEU 53 0.353 5.511 11.352 410 1HD1 LEU 53 1HD1 LEU 53 1.851 6.520 9.292 411 2HD1 LEU 53 2HD1 LEU 53 1.320 7.420 10.713 412 3HD1 LEU 53 3HD1 LEU 53 0.386 7.501 9.218 413 1HD2 LEU 53 1HD2 LEU 53 -1.471 6.601 9.291 414 2HD2 LEU 53 2HD2 LEU 53 -1.718 6.372 11.023 415 3HD2 LEU 53 3HD2 LEU 53 -1.829 4.993 9.926 416 H GLU 54 H GLU 54 2.897 5.738 7.039 417 HA GLU 54 HA GLU 54 4.396 3.224 6.829 418 1HB GLU 54 2HB GLU 54 3.969 4.475 4.744 419 2HB GLU 54 1HB GLU 54 4.904 5.822 5.386 420 1HG GLU 54 2HG GLU 54 6.434 3.426 5.607 421 2HG GLU 54 1HG GLU 54 5.815 3.577 3.960 422 H GLU 55 H GLU 55 6.328 2.924 7.752 423 HA GLU 55 HA GLU 55 7.434 5.127 9.332 424 1HB GLU 55 2HB GLU 55 7.982 2.279 10.029 425 2HB GLU 55 1HB GLU 55 7.929 3.688 11.079 426 1HG GLU 55 2HG GLU 55 5.358 3.493 10.161 427 2HG GLU 55 1HG GLU 55 5.852 1.814 10.349 428 H VAL 56 H VAL 56 9.290 5.848 8.500 429 HA VAL 56 HA VAL 56 10.837 4.157 6.734 430 HB VAL 56 HB VAL 56 11.548 6.975 7.505 431 1HG1 VAL 56 1HG1 VAL 56 12.163 6.663 4.882 432 2HG1 VAL 56 2HG1 VAL 56 12.412 5.024 5.486 433 3HG1 VAL 56 3HG1 VAL 56 13.287 6.373 6.211 434 1HG2 VAL 56 1HG2 VAL 56 10.194 7.820 5.717 435 2HG2 VAL 56 2HG2 VAL 56 9.166 6.853 6.776 436 3HG2 VAL 56 3HG2 VAL 56 9.722 6.190 5.239 437 H ASP 57 H ASP 57 11.400 2.704 8.561 438 HA ASP 57 HA ASP 57 13.139 3.608 10.619 439 1HB ASP 57 2HB ASP 57 11.651 1.470 10.516 440 2HB ASP 57 1HB ASP 57 13.037 0.754 9.698 Start of MODEL 3 1 1H ILE 1 1HT ILE 1 10.668 -2.842 9.001 2 2H ILE 1 2HT ILE 1 11.334 -2.214 10.452 3 3H ILE 1 3HT ILE 1 11.103 -1.187 9.096 4 HA ILE 1 HA ILE 1 9.050 -2.472 10.760 5 HB ILE 1 HB ILE 1 9.498 0.454 10.198 6 1HG1 ILE 1 2HG1 ILE 1 10.385 -1.145 12.612 7 2HG1 ILE 1 1HG1 ILE 1 11.453 -0.459 11.391 8 1HG2 ILE 1 1HG2 ILE 1 7.251 -0.071 10.858 9 2HG2 ILE 1 2HG2 ILE 1 8.067 0.720 12.207 10 3HG2 ILE 1 3HG2 ILE 1 7.829 -1.028 12.221 11 1HD1 ILE 1 1HD1 ILE 1 11.163 1.683 12.151 12 2HD1 ILE 1 2HD1 ILE 1 11.067 0.765 13.654 13 3HD1 ILE 1 3HD1 ILE 1 9.592 1.332 12.871 14 HA PRO 2 HA PRO 2 6.586 -2.192 7.067 15 1HB PRO 2 2HB PRO 2 4.277 -3.097 8.054 16 2HB PRO 2 1HB PRO 2 5.687 -4.154 7.925 17 1HG PRO 2 2HG PRO 2 4.577 -2.760 10.319 18 2HG PRO 2 1HG PRO 2 5.248 -4.393 10.187 19 1HD PRO 2 2HD PRO 2 6.614 -2.166 11.128 20 2HD PRO 2 1HD PRO 2 7.374 -3.653 10.529 21 H ALA 3 H ALA 3 3.951 -1.591 6.910 22 HA ALA 3 HA ALA 3 3.745 1.132 7.964 23 1HB ALA 3 1HB ALA 3 4.013 1.661 5.778 24 2HB ALA 3 2HB ALA 3 2.278 1.344 5.743 25 3HB ALA 3 3HB ALA 3 3.411 0.099 5.215 26 H PHE 4 H PHE 4 1.617 1.918 8.399 27 HA PHE 4 HA PHE 4 -0.300 -0.206 8.982 28 1HB PHE 4 2HB PHE 4 0.685 1.276 10.831 29 2HB PHE 4 1HB PHE 4 -0.350 2.531 10.171 30 HD1 PHE 4 1HD PHE 4 -2.848 2.068 10.029 31 HD2 PHE 4 2HD PHE 4 -0.163 -0.267 12.362 32 HE1 PHE 4 1HE PHE 4 -4.739 1.236 11.366 33 HE2 PHE 4 2HE PHE 4 -2.047 -1.105 13.701 34 HZ PHE 4 HZ PHE 4 -4.340 -0.354 13.205 35 H VAL 5 H VAL 5 -2.063 -0.303 7.743 36 HA VAL 5 HA VAL 5 -2.722 1.823 5.920 37 HB VAL 5 HB VAL 5 -4.206 -0.734 6.539 38 1HG1 VAL 5 1HG1 VAL 5 -4.558 1.314 4.363 39 2HG1 VAL 5 2HG1 VAL 5 -5.751 0.756 5.535 40 3HG1 VAL 5 3HG1 VAL 5 -5.202 -0.324 4.253 41 1HG2 VAL 5 1HG2 VAL 5 -3.144 -1.070 4.072 42 2HG2 VAL 5 2HG2 VAL 5 -2.397 -1.640 5.564 43 3HG2 VAL 5 3HG2 VAL 5 -1.886 -0.110 4.851 44 H LYS 6 H LYS 6 -4.715 2.978 5.859 45 HA LYS 6 HA LYS 6 -5.878 3.361 8.522 46 1HB LYS 6 2HB LYS 6 -5.805 5.179 6.119 47 2HB LYS 6 1HB LYS 6 -6.680 5.544 7.600 48 1HG LYS 6 2HG LYS 6 -4.628 5.579 8.860 49 2HG LYS 6 1HG LYS 6 -3.712 5.061 7.443 50 1HD LYS 6 2HD LYS 6 -3.396 7.403 7.629 51 2HD LYS 6 1HD LYS 6 -4.530 7.157 6.299 52 1HE LYS 6 2HE LYS 6 -6.238 7.383 8.386 53 2HE LYS 6 1HE LYS 6 -4.928 8.435 8.921 54 1HZ LYS 6 1HZ LYS 6 -6.801 8.774 6.728 55 2HZ LYS 6 2HZ LYS 6 -5.207 9.237 6.402 56 3HZ LYS 6 3HZ LYS 6 -6.042 9.937 7.695 57 H PHE 7 H PHE 7 -6.813 3.080 5.131 58 HA PHE 7 HA PHE 7 -9.367 1.983 5.990 59 1HB PHE 7 2HB PHE 7 -9.096 4.578 4.970 60 2HB PHE 7 1HB PHE 7 -9.765 3.613 3.657 61 HD1 PHE 7 1HD PHE 7 -10.281 4.558 7.200 62 HD2 PHE 7 2HD PHE 7 -12.019 3.003 3.640 63 HE1 PHE 7 1HE PHE 7 -12.512 4.714 8.226 64 HE2 PHE 7 2HE PHE 7 -14.254 3.157 4.659 65 HZ PHE 7 HZ PHE 7 -14.502 4.015 6.954 66 H ALA 8 H ALA 8 -10.405 0.622 4.487 67 HA ALA 8 HA ALA 8 -8.575 -0.628 2.614 68 1HB ALA 8 1HB ALA 8 -9.544 -2.453 3.421 69 2HB ALA 8 2HB ALA 8 -11.003 -2.000 2.544 70 3HB ALA 8 3HB ALA 8 -10.794 -1.505 4.224 71 H TYR 9 H TYR 9 -8.873 -0.713 0.420 72 HA TYR 9 HA TYR 9 -11.279 0.569 -0.674 73 1HB TYR 9 2HB TYR 9 -9.125 2.057 -0.560 74 2HB TYR 9 1HB TYR 9 -8.618 1.097 -1.949 75 HD1 TYR 9 1HD TYR 9 -9.063 1.985 -4.021 76 HD2 TYR 9 2HD TYR 9 -11.673 2.933 -0.798 77 HE1 TYR 9 1HE TYR 9 -10.364 3.444 -5.511 78 HE2 TYR 9 2HE TYR 9 -12.983 4.393 -2.279 79 HH TYR 9 HH TYR 9 -12.571 4.409 -5.679 80 H VAL 10 H VAL 10 -11.917 -0.148 -2.723 81 HA VAL 10 HA VAL 10 -10.936 -2.784 -3.413 82 HB VAL 10 HB VAL 10 -12.819 -2.737 -5.095 83 1HG1 VAL 10 1HG1 VAL 10 -14.005 -2.158 -2.430 84 2HG1 VAL 10 2HG1 VAL 10 -12.860 -3.491 -2.565 85 3HG1 VAL 10 3HG1 VAL 10 -14.324 -3.485 -3.546 86 1HG2 VAL 10 1HG2 VAL 10 -12.895 -0.226 -5.197 87 2HG2 VAL 10 2HG2 VAL 10 -13.689 -0.257 -3.622 88 3HG2 VAL 10 3HG2 VAL 10 -14.460 -1.017 -5.014 89 H ALA 11 H ALA 11 -9.573 -3.174 -5.072 90 HA ALA 11 HA ALA 11 -9.073 -0.940 -6.920 91 1HB ALA 11 1HB ALA 11 -6.774 -1.429 -6.928 92 2HB ALA 11 2HB ALA 11 -7.023 -2.980 -6.129 93 3HB ALA 11 3HB ALA 11 -7.276 -1.479 -5.239 94 H GLU 12 H GLU 12 -7.427 -2.020 -8.666 95 HA GLU 12 HA GLU 12 -9.144 -3.577 -10.358 96 1HB GLU 12 2HB GLU 12 -6.395 -2.413 -10.812 97 2HB GLU 12 1HB GLU 12 -7.328 -3.257 -12.038 98 1HG GLU 12 2HG GLU 12 -9.115 -1.557 -11.769 99 2HG GLU 12 1HG GLU 12 -8.054 -0.680 -10.667 100 H ARG 13 H ARG 13 -7.898 -5.233 -11.788 101 HA ARG 13 HA ARG 13 -7.134 -7.364 -10.022 102 1HB ARG 13 2HB ARG 13 -7.461 -8.817 -11.838 103 2HB ARG 13 1HB ARG 13 -8.667 -7.561 -12.050 104 1HG ARG 13 2HG ARG 13 -6.114 -7.931 -13.586 105 2HG ARG 13 1HG ARG 13 -7.766 -8.024 -14.185 106 1HD ARG 13 2HD ARG 13 -8.055 -5.632 -13.714 107 2HD ARG 13 1HD ARG 13 -6.386 -5.550 -13.153 108 HE ARG 13 HE ARG 13 -6.544 -6.594 -15.793 109 1HH1 ARG 13 1HH1 ARG 13 -6.683 -3.622 -13.969 110 2HH1 ARG 13 2HH1 ARG 13 -6.152 -2.640 -15.291 111 1HH2 ARG 13 1HH2 ARG 13 -5.847 -5.302 -17.535 112 2HH2 ARG 13 2HH2 ARG 13 -5.678 -3.592 -17.316 113 H GLU 14 H GLU 14 -5.414 -8.733 -11.971 114 HA GLU 14 HA GLU 14 -2.961 -8.104 -10.949 115 1HB GLU 14 2HB GLU 14 -3.499 -9.224 -13.706 116 2HB GLU 14 1HB GLU 14 -1.983 -9.349 -12.823 117 1HG GLU 14 2HG GLU 14 -4.536 -10.428 -11.691 118 2HG GLU 14 1HG GLU 14 -3.563 -11.363 -12.829 119 H ASP 15 H ASP 15 -2.186 -6.218 -10.887 120 HA ASP 15 HA ASP 15 -0.685 -4.876 -12.604 121 1HB ASP 15 2HB ASP 15 -2.428 -4.605 -14.261 122 2HB ASP 15 1HB ASP 15 -3.556 -4.007 -13.042 123 H GLU 16 H GLU 16 -3.564 -4.119 -10.743 124 HA GLU 16 HA GLU 16 -1.922 -2.649 -8.808 125 1HB GLU 16 2HB GLU 16 -3.096 -0.742 -9.009 126 2HB GLU 16 1HB GLU 16 -3.708 -1.404 -10.509 127 1HG GLU 16 2HG GLU 16 -5.564 -2.428 -9.122 128 2HG GLU 16 1HG GLU 16 -5.009 -1.361 -7.839 129 H LEU 17 H LEU 17 -2.686 -2.772 -6.621 130 HA LEU 17 HA LEU 17 -4.619 -4.958 -6.253 131 1HB LEU 17 2HB LEU 17 -2.960 -4.927 -3.989 132 2HB LEU 17 1HB LEU 17 -3.072 -6.143 -5.247 133 HG LEU 17 HG LEU 17 -0.767 -5.507 -4.888 134 1HD1 LEU 17 1HD1 LEU 17 -1.035 -4.196 -7.456 135 2HD1 LEU 17 2HD1 LEU 17 -2.045 -5.636 -7.327 136 3HD1 LEU 17 3HD1 LEU 17 -0.308 -5.747 -7.045 137 1HD2 LEU 17 1HD2 LEU 17 -0.103 -3.427 -4.501 138 2HD2 LEU 17 2HD2 LEU 17 -1.795 -2.934 -4.549 139 3HD2 LEU 17 3HD2 LEU 17 -0.813 -2.860 -6.011 140 H SER 18 H SER 18 -5.906 -5.008 -4.456 141 HA SER 18 HA SER 18 -6.939 -2.510 -3.604 142 1HB SER 18 2HB SER 18 -8.707 -3.703 -2.733 143 2HB SER 18 1HB SER 18 -8.102 -4.854 -3.928 144 HG SER 18 HG SER 18 -8.016 -4.953 -1.154 145 H LEU 19 H LEU 19 -7.075 -1.656 -1.500 146 HA LEU 19 HA LEU 19 -4.715 -2.242 0.113 147 1HB LEU 19 2HB LEU 19 -6.041 -0.123 1.326 148 2HB LEU 19 1HB LEU 19 -4.654 -0.025 0.261 149 HG LEU 19 HG LEU 19 -7.504 0.096 -0.709 150 1HD1 LEU 19 1HD1 LEU 19 -6.955 2.552 -1.009 151 2HD1 LEU 19 2HD1 LEU 19 -5.603 2.280 0.091 152 3HD1 LEU 19 3HD1 LEU 19 -7.256 2.008 0.641 153 1HD2 LEU 19 1HD2 LEU 19 -5.519 1.373 -2.347 154 2HD2 LEU 19 2HD2 LEU 19 -6.649 0.086 -2.759 155 3HD2 LEU 19 3HD2 LEU 19 -5.082 -0.309 -2.053 156 H VAL 20 H VAL 20 -4.785 -2.579 2.351 157 HA VAL 20 HA VAL 20 -6.844 -4.313 3.237 158 HB VAL 20 HB VAL 20 -4.870 -3.008 5.081 159 1HG1 VAL 20 1HG1 VAL 20 -6.610 -5.375 5.100 160 2HG1 VAL 20 2HG1 VAL 20 -6.023 -4.383 6.435 161 3HG1 VAL 20 3HG1 VAL 20 -4.985 -5.627 5.736 162 1HG2 VAL 20 1HG2 VAL 20 -3.369 -4.986 4.471 163 2HG2 VAL 20 2HG2 VAL 20 -3.439 -3.641 3.334 164 3HG2 VAL 20 3HG2 VAL 20 -4.346 -5.118 3.008 165 H LYS 21 H LYS 21 -8.067 -4.082 5.243 166 HA LYS 21 HA LYS 21 -9.239 -1.411 5.439 167 1HB LYS 21 2HB LYS 21 -10.443 -3.574 7.033 168 2HB LYS 21 1HB LYS 21 -11.205 -2.395 5.980 169 1HG LYS 21 2HG LYS 21 -11.597 -4.070 4.584 170 2HG LYS 21 1HG LYS 21 -9.871 -4.077 4.230 171 1HD LYS 21 2HD LYS 21 -10.187 -5.502 6.634 172 2HD LYS 21 1HD LYS 21 -11.463 -6.065 5.552 173 1HE LYS 21 2HE LYS 21 -8.728 -5.781 4.434 174 2HE LYS 21 1HE LYS 21 -9.023 -7.119 5.543 175 1HZ LYS 21 1HZ LYS 21 -10.292 -8.184 4.052 176 2HZ LYS 21 2HZ LYS 21 -9.491 -7.221 2.915 177 3HZ LYS 21 3HZ LYS 21 -11.022 -6.770 3.476 178 H GLY 22 H GLY 22 -7.697 -3.878 7.447 179 1HA GLY 22 2HA GLY 22 -6.915 -1.851 9.336 180 2HA GLY 22 1HA GLY 22 -8.063 -3.009 9.970 181 H SER 23 H SER 23 -5.080 -3.014 8.083 182 HA SER 23 HA SER 23 -3.845 -4.800 9.988 183 1HB SER 23 2HB SER 23 -5.032 -5.855 7.682 184 2HB SER 23 1HB SER 23 -3.298 -5.828 7.353 185 HG SER 23 HG SER 23 -3.136 -7.484 8.613 186 H ARG 24 H ARG 24 -1.505 -5.334 9.119 187 HA ARG 24 HA ARG 24 -0.365 -2.751 8.392 188 1HB ARG 24 2HB ARG 24 0.620 -5.127 9.850 189 2HB ARG 24 1HB ARG 24 1.797 -4.089 9.070 190 1HG ARG 24 2HG ARG 24 -0.154 -2.600 10.620 191 2HG ARG 24 1HG ARG 24 0.739 -3.773 11.596 192 1HD ARG 24 2HD ARG 24 2.834 -2.836 10.899 193 2HD ARG 24 1HD ARG 24 2.027 -1.778 9.748 194 HE ARG 24 HE ARG 24 1.623 -0.317 11.450 195 1HH1 ARG 24 1HH1 ARG 24 2.336 -3.443 12.826 196 2HH1 ARG 24 2HH1 ARG 24 2.347 -2.861 14.457 197 1HH2 ARG 24 1HH2 ARG 24 1.639 0.451 13.595 198 2HH2 ARG 24 2HH2 ARG 24 1.952 -0.650 14.895 199 H VAL 25 H VAL 25 1.167 -2.496 6.792 200 HA VAL 25 HA VAL 25 1.401 -4.679 4.826 201 HB VAL 25 HB VAL 25 1.182 -1.750 4.117 202 1HG1 VAL 25 1HG1 VAL 25 0.554 -2.902 1.869 203 2HG1 VAL 25 2HG1 VAL 25 1.394 -4.291 2.561 204 3HG1 VAL 25 3HG1 VAL 25 2.249 -2.763 2.339 205 1HG2 VAL 25 1HG2 VAL 25 -0.896 -2.817 5.176 206 2HG2 VAL 25 2HG2 VAL 25 -0.997 -3.768 3.694 207 3HG2 VAL 25 3HG2 VAL 25 -1.087 -2.008 3.619 208 H THR 26 H THR 26 3.302 -4.296 3.292 209 HA THR 26 HA THR 26 5.615 -3.682 4.893 210 HB THR 26 HB THR 26 6.906 -4.631 3.174 211 HG1 THR 26 1HG THR 26 4.847 -3.699 1.598 212 1HG2 THR 26 1HG2 THR 26 4.346 -6.103 2.698 213 2HG2 THR 26 2HG2 THR 26 5.200 -6.217 4.237 214 3HG2 THR 26 3HG2 THR 26 5.996 -6.725 2.748 215 H VAL 27 H VAL 27 6.993 -1.959 4.688 216 HA VAL 27 HA VAL 27 5.982 0.484 3.898 217 HB VAL 27 HB VAL 27 7.887 0.288 5.406 218 1HG1 VAL 27 1HG1 VAL 27 9.856 -0.104 3.248 219 2HG1 VAL 27 2HG1 VAL 27 8.900 -1.519 3.689 220 3HG1 VAL 27 3HG1 VAL 27 9.860 -0.687 4.912 221 1HG2 VAL 27 1HG2 VAL 27 8.434 2.381 4.890 222 2HG2 VAL 27 2HG2 VAL 27 7.600 2.180 3.349 223 3HG2 VAL 27 3HG2 VAL 27 9.327 1.843 3.468 224 H MET 28 H MET 28 5.729 1.498 2.074 225 HA MET 28 HA MET 28 6.142 0.291 -0.424 226 1HB MET 28 2HB MET 28 5.708 3.240 0.009 227 2HB MET 28 1HB MET 28 5.226 2.264 -1.375 228 1HG MET 28 2HG MET 28 4.108 1.849 1.380 229 2HG MET 28 1HG MET 28 3.394 2.954 0.212 230 1HE MET 28 1HE MET 28 3.948 1.406 -2.495 231 2HE MET 28 2HE MET 28 2.368 2.117 -2.166 232 3HE MET 28 3HE MET 28 2.489 0.440 -2.699 233 H GLU 29 H GLU 29 7.072 1.936 -2.207 234 HA GLU 29 HA GLU 29 9.916 2.237 -1.536 235 1HB GLU 29 2HB GLU 29 10.424 1.597 -3.687 236 2HB GLU 29 1HB GLU 29 8.915 0.736 -3.476 237 1HG GLU 29 2HG GLU 29 8.293 1.668 -5.389 238 2HG GLU 29 1HG GLU 29 8.072 3.146 -4.461 239 H LYS 30 H LYS 30 11.069 4.063 -2.550 240 HA LYS 30 HA LYS 30 9.476 6.471 -2.386 241 1HB LYS 30 2HB LYS 30 12.309 5.791 -2.133 242 2HB LYS 30 1HB LYS 30 12.038 7.261 -3.059 243 1HG LYS 30 2HG LYS 30 11.238 8.412 -1.272 244 2HG LYS 30 1HG LYS 30 10.567 6.970 -0.504 245 1HD LYS 30 2HD LYS 30 12.691 6.296 0.295 246 2HD LYS 30 1HD LYS 30 13.528 7.464 -0.731 247 1HE LYS 30 2HE LYS 30 11.877 7.974 1.727 248 2HE LYS 30 1HE LYS 30 13.566 8.389 1.434 249 1HZ LYS 30 1HZ LYS 30 12.467 10.388 1.163 250 2HZ LYS 30 2HZ LYS 30 11.136 9.691 0.387 251 3HZ LYS 30 3HZ LYS 30 12.608 9.845 -0.433 252 H CYS 31 H CYS 31 8.255 6.609 -4.208 253 HA CYS 31 HA CYS 31 9.632 6.462 -6.795 254 1HB CYS 31 2HB CYS 31 7.342 5.213 -6.000 255 2HB CYS 31 1HB CYS 31 6.692 6.645 -6.790 256 HG CYS 31 HG CYS 31 8.134 5.848 -8.935 257 H SER 32 H SER 32 9.049 8.014 -8.449 258 HA SER 32 HA SER 32 8.834 10.690 -7.354 259 1HB SER 32 2HB SER 32 10.514 10.442 -9.027 260 2HB SER 32 1HB SER 32 9.399 9.627 -10.124 261 HG SER 32 HG SER 32 9.478 12.354 -9.393 262 H ASP 33 H ASP 33 6.885 8.404 -9.097 263 HA ASP 33 HA ASP 33 4.839 10.423 -9.641 264 1HB ASP 33 2HB ASP 33 5.209 7.570 -10.550 265 2HB ASP 33 1HB ASP 33 3.708 8.455 -10.821 266 H GLY 34 H GLY 34 2.548 9.792 -9.191 267 1HA GLY 34 2HA GLY 34 2.158 9.348 -6.456 268 2HA GLY 34 1HA GLY 34 0.899 9.264 -7.684 269 H TRP 35 H TRP 35 2.613 7.072 -9.001 270 HA TRP 35 HA TRP 35 1.295 4.889 -7.662 271 1HB TRP 35 2HB TRP 35 3.304 4.555 -9.872 272 2HB TRP 35 1HB TRP 35 1.895 3.567 -9.504 273 HD1 TRP 35 HD TRP 35 -0.371 5.738 -9.504 274 HE1 TRP 35 1HE TRP 35 -1.045 6.912 -11.693 275 HE3 TRP 35 3HE TRP 35 3.894 4.931 -12.203 276 HZ2 TRP 35 2HZ TRP 35 0.084 7.429 -14.228 277 HZ3 TRP 35 3HZ TRP 35 4.018 5.798 -14.503 278 HH2 TRP 35 HH TRP 35 2.150 7.021 -15.494 279 H TRP 36 H TRP 36 2.263 4.681 -5.647 280 HA TRP 36 HA TRP 36 5.129 4.307 -5.487 281 1HB TRP 36 2HB TRP 36 2.933 4.607 -3.470 282 2HB TRP 36 1HB TRP 36 4.496 3.953 -2.985 283 HD1 TRP 36 HD TRP 36 6.642 5.679 -3.907 284 HE1 TRP 36 1HE TRP 36 6.776 8.223 -3.534 285 HE3 TRP 36 3HE TRP 36 1.691 6.635 -3.073 286 HZ2 TRP 36 2HZ TRP 36 5.011 10.353 -2.965 287 HZ3 TRP 36 3HZ TRP 36 0.996 8.951 -2.622 288 HH2 TRP 36 HH TRP 36 2.623 10.771 -2.568 289 H ARG 37 H ARG 37 6.125 2.401 -5.397 290 HA ARG 37 HA ARG 37 4.562 -0.018 -5.577 291 1HB ARG 37 2HB ARG 37 6.910 0.663 -6.690 292 2HB ARG 37 1HB ARG 37 7.506 -0.170 -5.261 293 1HG ARG 37 2HG ARG 37 7.237 -2.090 -6.320 294 2HG ARG 37 1HG ARG 37 5.496 -1.810 -6.310 295 1HD ARG 37 2HD ARG 37 5.460 -1.427 -8.504 296 2HD ARG 37 1HD ARG 37 6.807 -0.293 -8.399 297 HE ARG 37 HE ARG 37 8.133 -1.937 -9.236 298 1HH1 ARG 37 1HH1 ARG 37 5.434 -3.452 -7.625 299 2HH1 ARG 37 2HH1 ARG 37 5.925 -5.059 -8.044 300 1HH2 ARG 37 1HH2 ARG 37 8.779 -4.048 -9.789 301 2HH2 ARG 37 2HH2 ARG 37 7.823 -5.398 -9.274 302 H GLY 38 H GLY 38 4.686 -1.780 -4.149 303 1HA GLY 38 2HA GLY 38 6.111 -1.643 -1.673 304 2HA GLY 38 1HA GLY 38 4.414 -1.237 -1.468 305 H SER 39 H SER 39 5.124 -3.302 -0.059 306 HA SER 39 HA SER 39 4.141 -5.616 -1.578 307 1HB SER 39 2HB SER 39 5.772 -6.300 0.755 308 2HB SER 39 1HB SER 39 5.821 -6.947 -0.888 309 HG SER 39 HG SER 39 7.062 -5.169 -1.502 310 H TYR 40 H TYR 40 2.980 -7.202 -0.393 311 HA TYR 40 HA TYR 40 1.966 -6.467 2.225 312 1HB TYR 40 2HB TYR 40 0.249 -5.349 1.204 313 2HB TYR 40 1HB TYR 40 0.404 -6.265 -0.293 314 HD1 TYR 40 1HD TYR 40 -1.295 -5.995 2.896 315 HD2 TYR 40 2HD TYR 40 -0.647 -8.513 -0.471 316 HE1 TYR 40 1HE TYR 40 -3.264 -7.329 3.522 317 HE2 TYR 40 2HE TYR 40 -2.615 -9.853 0.145 318 HH TYR 40 HH TYR 40 -3.977 -10.350 2.067 319 H ASN 41 H ASN 41 1.126 -8.224 3.368 320 HA ASN 41 HA ASN 41 2.151 -10.744 2.739 321 1HB ASN 41 2HB ASN 41 -0.209 -10.331 4.529 322 2HB ASN 41 1HB ASN 41 1.043 -11.559 4.653 323 1HD2 ASN 41 1HD2 ASN 41 0.161 -8.282 5.310 324 2HD2 ASN 41 2HD2 ASN 41 1.528 -7.888 6.290 325 H GLY 42 H GLY 42 1.528 -11.212 0.610 326 1HA GLY 42 2HA GLY 42 -0.335 -13.030 0.087 327 2HA GLY 42 1HA GLY 42 -1.283 -11.554 0.009 328 H GLN 43 H GLN 43 0.691 -9.891 -1.105 329 HA GLN 43 HA GLN 43 1.811 -10.980 -3.465 330 1HB GLN 43 2HB GLN 43 0.342 -9.956 -5.126 331 2HB GLN 43 1HB GLN 43 -0.546 -11.112 -4.137 332 1HG GLN 43 2HG GLN 43 -0.854 -8.694 -2.814 333 2HG GLN 43 1HG GLN 43 -0.985 -8.283 -4.527 334 1HE2 GLN 43 1HE2 GLN 43 -2.627 -9.321 -1.848 335 2HE2 GLN 43 2HE2 GLN 43 -4.038 -9.967 -2.620 336 H ILE 44 H ILE 44 2.279 -9.059 -5.088 337 HA ILE 44 HA ILE 44 3.035 -6.695 -3.502 338 HB ILE 44 HB ILE 44 4.694 -8.401 -5.294 339 1HG1 ILE 44 2HG1 ILE 44 6.429 -7.513 -3.596 340 2HG1 ILE 44 1HG1 ILE 44 5.027 -6.894 -2.720 341 1HG2 ILE 44 1HG2 ILE 44 4.756 -6.325 -6.526 342 2HG2 ILE 44 2HG2 ILE 44 6.288 -6.548 -5.681 343 3HG2 ILE 44 3HG2 ILE 44 5.088 -5.420 -5.049 344 1HD1 ILE 44 1HD1 ILE 44 4.234 -9.024 -2.250 345 2HD1 ILE 44 2HD1 ILE 44 5.980 -9.180 -2.063 346 3HD1 ILE 44 3HD1 ILE 44 5.194 -9.769 -3.527 347 H GLY 45 H GLY 45 3.273 -4.707 -4.727 348 1HA GLY 45 2HA GLY 45 2.805 -4.240 -7.371 349 2HA GLY 45 1HA GLY 45 1.190 -4.449 -6.706 350 H TRP 46 H TRP 46 0.682 -2.301 -7.264 351 HA TRP 46 HA TRP 46 2.108 -0.183 -5.831 352 1HB TRP 46 2HB TRP 46 0.216 -0.218 -8.168 353 2HB TRP 46 1HB TRP 46 0.508 1.273 -7.272 354 HD1 TRP 46 HD TRP 46 3.183 2.065 -7.199 355 HE1 TRP 46 1HE TRP 46 4.949 1.915 -9.066 356 HE3 TRP 46 3HE TRP 46 0.964 -1.494 -10.118 357 HZ2 TRP 46 2HZ TRP 46 5.345 0.473 -11.461 358 HZ3 TRP 46 3HZ TRP 46 2.102 -2.204 -12.181 359 HH2 TRP 46 HH TRP 46 4.247 -1.239 -12.838 360 H PHE 47 H PHE 47 1.260 0.828 -4.113 361 HA PHE 47 HA PHE 47 -1.593 0.403 -3.523 362 1HB PHE 47 2HB PHE 47 0.663 0.511 -1.511 363 2HB PHE 47 1HB PHE 47 -1.048 0.324 -1.133 364 HD1 PHE 47 1HD PHE 47 1.999 -1.343 -1.956 365 HD2 PHE 47 2HD PHE 47 -2.237 -1.749 -1.989 366 HE1 PHE 47 1HE PHE 47 2.239 -3.786 -2.114 367 HE2 PHE 47 2HE PHE 47 -2.006 -4.194 -2.147 368 HZ PHE 47 HZ PHE 47 0.236 -5.216 -2.209 369 HA PRO 48 HA PRO 48 -1.650 4.853 -3.455 370 1HB PRO 48 2HB PRO 48 -4.247 4.686 -2.163 371 2HB PRO 48 1HB PRO 48 -3.844 5.262 -3.778 372 1HG PRO 48 2HG PRO 48 -5.199 2.960 -3.349 373 2HG PRO 48 1HG PRO 48 -4.110 3.191 -4.729 374 1HD PRO 48 2HD PRO 48 -3.621 1.742 -2.152 375 2HD PRO 48 1HD PRO 48 -3.157 1.292 -3.807 376 H SER 49 H SER 49 -0.242 5.615 -1.972 377 HA SER 49 HA SER 49 -0.305 5.134 0.781 378 1HB SER 49 2HB SER 49 1.737 5.927 0.085 379 2HB SER 49 1HB SER 49 1.010 7.146 -0.959 380 HG SER 49 HG SER 49 1.610 7.251 1.745 381 H ASN 50 H ASN 50 -2.474 6.894 -1.064 382 HA ASN 50 HA ASN 50 -3.118 9.176 0.197 383 1HB ASN 50 2HB ASN 50 -4.639 7.110 -1.228 384 2HB ASN 50 1HB ASN 50 -5.596 8.211 -0.247 385 1HD2 ASN 50 1HD2 ASN 50 -5.694 10.365 -0.783 386 2HD2 ASN 50 2HD2 ASN 50 -5.167 10.959 -2.315 387 H TYR 51 H TYR 51 -3.522 5.944 1.478 388 HA TYR 51 HA TYR 51 -4.188 7.146 4.041 389 1HB TYR 51 2HB TYR 51 -5.873 4.799 3.315 390 2HB TYR 51 1HB TYR 51 -6.228 6.149 4.392 391 HD1 TYR 51 1HD TYR 51 -6.122 5.072 0.863 392 HD2 TYR 51 2HD TYR 51 -7.335 8.108 3.585 393 HE1 TYR 51 1HE TYR 51 -7.470 6.115 -0.910 394 HE2 TYR 51 2HE TYR 51 -8.687 9.159 1.820 395 HH TYR 51 HH TYR 51 -8.400 8.333 -1.451 396 H VAL 52 H VAL 52 -1.866 6.317 3.838 397 HA VAL 52 HA VAL 52 -1.773 3.730 5.167 398 HB VAL 52 HB VAL 52 -0.142 2.798 3.829 399 1HG1 VAL 52 1HG1 VAL 52 -0.832 3.119 1.476 400 2HG1 VAL 52 2HG1 VAL 52 -1.777 4.523 1.975 401 3HG1 VAL 52 3HG1 VAL 52 -2.198 2.919 2.575 402 1HG2 VAL 52 1HG2 VAL 52 1.214 4.107 2.181 403 2HG2 VAL 52 2HG2 VAL 52 1.498 4.550 3.865 404 3HG2 VAL 52 3HG2 VAL 52 0.497 5.578 2.838 405 H LEU 53 H LEU 53 0.053 3.437 6.560 406 HA LEU 53 HA LEU 53 1.395 5.960 7.256 407 1HB LEU 53 2HB LEU 53 -0.243 4.930 8.925 408 2HB LEU 53 1HB LEU 53 0.956 3.674 9.129 409 HG LEU 53 HG LEU 53 2.493 5.154 10.092 410 1HD1 LEU 53 1HD1 LEU 53 2.398 7.026 8.651 411 2HD1 LEU 53 2HD1 LEU 53 1.995 7.612 10.265 412 3HD1 LEU 53 3HD1 LEU 53 0.717 7.350 9.078 413 1HD2 LEU 53 1HD2 LEU 53 0.260 4.554 11.340 414 2HD2 LEU 53 2HD2 LEU 53 0.020 6.300 11.265 415 3HD2 LEU 53 3HD2 LEU 53 1.447 5.640 12.063 416 H GLU 54 H GLU 54 3.472 5.944 6.702 417 HA GLU 54 HA GLU 54 4.862 3.366 6.556 418 1HB GLU 54 2HB GLU 54 4.789 4.597 4.466 419 2HB GLU 54 1HB GLU 54 5.504 6.004 5.241 420 1HG GLU 54 2HG GLU 54 7.172 3.717 5.659 421 2HG GLU 54 1HG GLU 54 6.809 3.895 3.940 422 H GLU 55 H GLU 55 6.660 2.948 7.684 423 HA GLU 55 HA GLU 55 7.647 5.029 9.491 424 1HB GLU 55 2HB GLU 55 7.996 2.088 9.958 425 2HB GLU 55 1HB GLU 55 8.072 3.396 11.129 426 1HG GLU 55 2HG GLU 55 5.522 3.577 10.167 427 2HG GLU 55 1HG GLU 55 5.818 1.843 10.191 428 H VAL 56 H VAL 56 9.594 5.778 8.928 429 HA VAL 56 HA VAL 56 11.236 4.354 7.057 430 HB VAL 56 HB VAL 56 12.194 6.784 8.521 431 1HG1 VAL 56 1HG1 VAL 56 12.458 6.523 5.604 432 2HG1 VAL 56 2HG1 VAL 56 13.291 5.287 6.547 433 3HG1 VAL 56 3HG1 VAL 56 13.650 6.992 6.818 434 1HG2 VAL 56 1HG2 VAL 56 10.988 7.906 6.391 435 2HG2 VAL 56 2HG2 VAL 56 10.243 7.793 7.986 436 3HG2 VAL 56 3HG2 VAL 56 9.845 6.608 6.743 437 H ASP 57 H ASP 57 11.756 2.462 8.238 438 HA ASP 57 HA ASP 57 13.037 2.469 10.749 439 1HB ASP 57 2HB ASP 57 11.920 0.489 9.745 440 2HB ASP 57 1HB ASP 57 13.226 0.380 8.569 Start of MODEL 4 1 1H ILE 1 1HT ILE 1 11.163 -1.905 10.475 2 2H ILE 1 2HT ILE 1 10.775 -1.980 8.805 3 3H ILE 1 3HT ILE 1 10.112 -3.128 9.894 4 HA ILE 1 HA ILE 1 8.833 -1.511 10.957 5 HB ILE 1 HB ILE 1 8.874 0.822 9.636 6 1HG1 ILE 1 2HG1 ILE 1 11.328 1.461 9.443 7 2HG1 ILE 1 1HG1 ILE 1 11.687 -0.261 9.487 8 1HG2 ILE 1 1HG2 ILE 1 10.700 1.399 11.527 9 2HG2 ILE 1 2HG2 ILE 1 10.150 -0.178 12.095 10 3HG2 ILE 1 3HG2 ILE 1 8.990 1.130 11.864 11 1HD1 ILE 1 1HD1 ILE 1 10.861 -0.624 7.397 12 2HD1 ILE 1 2HD1 ILE 1 11.421 1.038 7.220 13 3HD1 ILE 1 3HD1 ILE 1 9.710 0.707 7.499 14 HA PRO 2 HA PRO 2 6.299 -2.439 7.361 15 1HB PRO 2 2HB PRO 2 4.114 -3.217 8.688 16 2HB PRO 2 1HB PRO 2 5.565 -4.225 8.642 17 1HG PRO 2 2HG PRO 2 4.496 -2.549 10.846 18 2HG PRO 2 1HG PRO 2 5.419 -4.057 10.925 19 1HD PRO 2 2HD PRO 2 6.414 -1.425 11.239 20 2HD PRO 2 1HD PRO 2 7.366 -2.917 11.110 21 H ALA 3 H ALA 3 3.814 -1.881 6.961 22 HA ALA 3 HA ALA 3 3.495 0.949 7.632 23 1HB ALA 3 1HB ALA 3 1.922 0.772 5.512 24 2HB ALA 3 2HB ALA 3 2.993 -0.580 5.144 25 3HB ALA 3 3HB ALA 3 3.658 1.037 5.364 26 H PHE 4 H PHE 4 1.361 1.750 8.017 27 HA PHE 4 HA PHE 4 -0.426 -0.280 9.101 28 1HB PHE 4 2HB PHE 4 -0.555 2.624 9.758 29 2HB PHE 4 1HB PHE 4 -1.149 1.265 10.692 30 HD1 PHE 4 1HD PHE 4 1.536 -0.328 10.272 31 HD2 PHE 4 2HD PHE 4 0.588 3.579 11.663 32 HE1 PHE 4 1HE PHE 4 3.600 -0.308 11.607 33 HE2 PHE 4 2HE PHE 4 2.654 3.607 12.998 34 HZ PHE 4 HZ PHE 4 4.163 1.662 12.972 35 H VAL 5 H VAL 5 -2.162 -0.713 7.897 36 HA VAL 5 HA VAL 5 -3.055 1.140 5.869 37 HB VAL 5 HB VAL 5 -4.274 -1.501 6.673 38 1HG1 VAL 5 1HG1 VAL 5 -4.581 0.135 4.157 39 2HG1 VAL 5 2HG1 VAL 5 -5.794 -0.056 5.423 40 3HG1 VAL 5 3HG1 VAL 5 -5.302 -1.447 4.457 41 1HG2 VAL 5 1HG2 VAL 5 -1.774 -1.226 5.707 42 2HG2 VAL 5 2HG2 VAL 5 -2.686 -1.295 4.199 43 3HG2 VAL 5 3HG2 VAL 5 -2.810 -2.613 5.364 44 H LYS 6 H LYS 6 -4.970 2.265 5.828 45 HA LYS 6 HA LYS 6 -6.235 2.648 8.421 46 1HB LYS 6 2HB LYS 6 -6.545 4.210 5.856 47 2HB LYS 6 1HB LYS 6 -7.239 4.650 7.410 48 1HG LYS 6 2HG LYS 6 -5.216 5.291 8.283 49 2HG LYS 6 1HG LYS 6 -4.295 4.249 7.196 50 1HD LYS 6 2HD LYS 6 -3.933 6.505 6.506 51 2HD LYS 6 1HD LYS 6 -4.991 5.748 5.312 52 1HE LYS 6 2HE LYS 6 -6.929 6.739 6.602 53 2HE LYS 6 1HE LYS 6 -5.736 7.682 7.494 54 1HZ LYS 6 1HZ LYS 6 -6.108 9.150 5.852 55 2HZ LYS 6 2HZ LYS 6 -6.670 7.983 4.764 56 3HZ LYS 6 3HZ LYS 6 -5.008 8.198 4.987 57 H PHE 7 H PHE 7 -8.057 3.247 5.515 58 HA PHE 7 HA PHE 7 -10.010 1.278 6.407 59 1HB PHE 7 2HB PHE 7 -10.185 3.934 5.258 60 2HB PHE 7 1HB PHE 7 -11.170 2.779 4.361 61 HD1 PHE 7 1HD PHE 7 -12.097 0.976 6.454 62 HD2 PHE 7 2HD PHE 7 -11.659 5.209 6.494 63 HE1 PHE 7 1HE PHE 7 -13.851 1.137 8.171 64 HE2 PHE 7 2HE PHE 7 -13.412 5.378 8.211 65 HZ PHE 7 HZ PHE 7 -14.511 3.341 9.052 66 H ALA 8 H ALA 8 -10.962 -0.190 4.972 67 HA ALA 8 HA ALA 8 -9.216 -1.038 2.834 68 1HB ALA 8 1HB ALA 8 -11.787 -2.378 3.587 69 2HB ALA 8 2HB ALA 8 -10.337 -2.549 4.573 70 3HB ALA 8 3HB ALA 8 -10.327 -3.087 2.894 71 H TYR 9 H TYR 9 -9.715 -1.095 0.670 72 HA TYR 9 HA TYR 9 -12.334 -0.065 -0.157 73 1HB TYR 9 2HB TYR 9 -10.793 1.834 -0.227 74 2HB TYR 9 1HB TYR 9 -9.669 0.903 -1.216 75 HD1 TYR 9 1HD TYR 9 -9.592 1.789 -3.342 76 HD2 TYR 9 2HD TYR 9 -13.364 1.454 -1.406 77 HE1 TYR 9 1HE TYR 9 -10.702 2.603 -5.380 78 HE2 TYR 9 2HE TYR 9 -14.487 2.267 -3.438 79 HH TYR 9 HH TYR 9 -12.761 3.639 -6.066 80 H VAL 10 H VAL 10 -13.163 -0.985 -1.979 81 HA VAL 10 HA VAL 10 -11.796 -3.339 -2.957 82 HB VAL 10 HB VAL 10 -13.949 -3.706 -4.230 83 1HG1 VAL 10 1HG1 VAL 10 -13.604 -4.915 -2.218 84 2HG1 VAL 10 2HG1 VAL 10 -15.244 -4.269 -2.147 85 3HG1 VAL 10 3HG1 VAL 10 -13.952 -3.496 -1.228 86 1HG2 VAL 10 1HG2 VAL 10 -14.414 -1.065 -3.685 87 2HG2 VAL 10 2HG2 VAL 10 -15.422 -1.877 -2.486 88 3HG2 VAL 10 3HG2 VAL 10 -15.634 -2.229 -4.202 89 H ALA 11 H ALA 11 -10.433 -3.150 -4.611 90 HA ALA 11 HA ALA 11 -11.233 -2.090 -7.107 91 1HB ALA 11 1HB ALA 11 -8.953 -0.475 -6.167 92 2HB ALA 11 2HB ALA 11 -10.527 -0.075 -5.477 93 3HB ALA 11 3HB ALA 11 -10.295 -0.041 -7.225 94 H GLU 12 H GLU 12 -10.484 -3.967 -7.999 95 HA GLU 12 HA GLU 12 -7.562 -4.321 -7.943 96 1HB GLU 12 2HB GLU 12 -9.551 -6.584 -8.113 97 2HB GLU 12 1HB GLU 12 -7.807 -6.707 -7.933 98 1HG GLU 12 2HG GLU 12 -7.936 -5.762 -5.712 99 2HG GLU 12 1HG GLU 12 -9.674 -5.526 -5.889 100 H ARG 13 H ARG 13 -6.732 -4.000 -9.867 101 HA ARG 13 HA ARG 13 -7.836 -5.227 -12.204 102 1HB ARG 13 2HB ARG 13 -8.921 -3.469 -13.039 103 2HB ARG 13 1HB ARG 13 -8.505 -2.542 -11.606 104 1HG ARG 13 2HG ARG 13 -6.403 -2.681 -13.676 105 2HG ARG 13 1HG ARG 13 -7.871 -1.818 -14.117 106 1HD ARG 13 2HD ARG 13 -7.289 -0.994 -11.529 107 2HD ARG 13 1HD ARG 13 -5.732 -1.028 -12.358 108 HE ARG 13 HE ARG 13 -6.402 0.764 -13.618 109 1HH1 ARG 13 1HH1 ARG 13 -9.198 -0.631 -12.062 110 2HH1 ARG 13 2HH1 ARG 13 -10.260 0.649 -12.543 111 1HH2 ARG 13 1HH2 ARG 13 -7.797 2.449 -14.249 112 2HH2 ARG 13 2HH2 ARG 13 -9.464 2.397 -13.786 113 H GLU 14 H GLU 14 -6.340 -4.589 -14.174 114 HA GLU 14 HA GLU 14 -3.778 -5.470 -13.598 115 1HB GLU 14 2HB GLU 14 -3.180 -4.400 -15.850 116 2HB GLU 14 1HB GLU 14 -4.448 -5.619 -15.845 117 1HG GLU 14 2HG GLU 14 -5.415 -2.886 -15.471 118 2HG GLU 14 1HG GLU 14 -4.620 -3.172 -17.018 119 H ASP 15 H ASP 15 -2.459 -4.525 -12.193 120 HA ASP 15 HA ASP 15 -0.855 -3.025 -11.507 121 1HB ASP 15 2HB ASP 15 -1.441 -1.955 -13.958 122 2HB ASP 15 1HB ASP 15 -1.901 -0.640 -12.876 123 H GLU 16 H GLU 16 -3.833 -3.316 -10.681 124 HA GLU 16 HA GLU 16 -3.830 -1.021 -8.850 125 1HB GLU 16 2HB GLU 16 -5.612 -0.493 -10.255 126 2HB GLU 16 1HB GLU 16 -6.035 -2.177 -10.509 127 1HG GLU 16 2HG GLU 16 -7.496 -2.161 -8.861 128 2HG GLU 16 1HG GLU 16 -6.349 -1.409 -7.756 129 H LEU 17 H LEU 17 -4.423 -1.439 -6.738 130 HA LEU 17 HA LEU 17 -5.008 -4.236 -6.064 131 1HB LEU 17 2HB LEU 17 -3.621 -3.970 -4.005 132 2HB LEU 17 1HB LEU 17 -2.729 -4.039 -5.512 133 HG LEU 17 HG LEU 17 -1.915 -1.914 -5.291 134 1HD1 LEU 17 1HD1 LEU 17 -4.245 -1.124 -3.550 135 2HD1 LEU 17 2HD1 LEU 17 -4.109 -0.789 -5.274 136 3HD1 LEU 17 3HD1 LEU 17 -2.967 -0.068 -4.149 137 1HD2 LEU 17 1HD2 LEU 17 -1.283 -1.503 -2.995 138 2HD2 LEU 17 2HD2 LEU 17 -1.219 -3.230 -3.340 139 3HD2 LEU 17 3HD2 LEU 17 -2.569 -2.563 -2.424 140 H SER 18 H SER 18 -6.188 -4.611 -4.163 141 HA SER 18 HA SER 18 -7.983 -2.443 -3.487 142 1HB SER 18 2HB SER 18 -9.499 -4.044 -2.805 143 2HB SER 18 1HB SER 18 -8.570 -4.984 -3.976 144 HG SER 18 HG SER 18 -8.589 -5.121 -1.184 145 H LEU 19 H LEU 19 -8.317 -1.701 -1.329 146 HA LEU 19 HA LEU 19 -5.915 -1.981 0.304 147 1HB LEU 19 2HB LEU 19 -8.113 -0.155 1.114 148 2HB LEU 19 1HB LEU 19 -6.373 0.059 1.226 149 HG LEU 19 HG LEU 19 -7.911 0.202 -1.359 150 1HD1 LEU 19 1HD1 LEU 19 -8.385 1.977 0.482 151 2HD1 LEU 19 2HD1 LEU 19 -8.069 2.492 -1.174 152 3HD1 LEU 19 3HD1 LEU 19 -6.791 2.587 0.039 153 1HD2 LEU 19 1HD2 LEU 19 -5.204 1.346 -0.830 154 2HD2 LEU 19 2HD2 LEU 19 -5.951 0.898 -2.364 155 3HD2 LEU 19 3HD2 LEU 19 -5.391 -0.355 -1.257 156 H VAL 20 H VAL 20 -5.941 -2.422 2.494 157 HA VAL 20 HA VAL 20 -8.083 -4.238 3.316 158 HB VAL 20 HB VAL 20 -5.728 -3.912 5.061 159 1HG1 VAL 20 1HG1 VAL 20 -7.454 -6.132 4.043 160 2HG1 VAL 20 2HG1 VAL 20 -7.119 -5.640 5.704 161 3HG1 VAL 20 3HG1 VAL 20 -5.888 -6.493 4.772 162 1HG2 VAL 20 1HG2 VAL 20 -4.492 -5.555 3.446 163 2HG2 VAL 20 2HG2 VAL 20 -4.386 -3.813 3.184 164 3HG2 VAL 20 3HG2 VAL 20 -5.489 -4.785 2.212 165 H LYS 21 H LYS 21 -8.659 -4.257 5.657 166 HA LYS 21 HA LYS 21 -9.014 -1.497 6.585 167 1HB LYS 21 2HB LYS 21 -10.790 -2.493 8.047 168 2HB LYS 21 1HB LYS 21 -11.122 -2.543 6.322 169 1HG LYS 21 2HG LYS 21 -9.856 -4.896 7.650 170 2HG LYS 21 1HG LYS 21 -11.592 -4.627 7.806 171 1HD LYS 21 2HD LYS 21 -11.993 -5.171 5.653 172 2HD LYS 21 1HD LYS 21 -10.524 -4.393 5.074 173 1HE LYS 21 2HE LYS 21 -10.393 -6.779 4.699 174 2HE LYS 21 1HE LYS 21 -9.208 -6.293 5.913 175 1HZ LYS 21 1HZ LYS 21 -10.082 -8.003 7.046 176 2HZ LYS 21 2HZ LYS 21 -11.532 -8.002 6.175 177 3HZ LYS 21 3HZ LYS 21 -11.309 -6.907 7.445 178 H GLY 22 H GLY 22 -7.328 -1.025 7.820 179 1HA GLY 22 2HA GLY 22 -6.122 -0.904 9.775 180 2HA GLY 22 1HA GLY 22 -7.160 -2.159 10.422 181 H SER 23 H SER 23 -5.623 -2.992 7.485 182 HA SER 23 HA SER 23 -3.978 -4.908 8.887 183 1HB SER 23 2HB SER 23 -5.376 -5.056 6.560 184 2HB SER 23 1HB SER 23 -3.737 -4.779 5.974 185 HG SER 23 HG SER 23 -3.218 -6.728 6.560 186 H ARG 24 H ARG 24 -1.725 -5.297 7.734 187 HA ARG 24 HA ARG 24 -0.404 -2.677 7.554 188 1HB ARG 24 2HB ARG 24 0.757 -5.176 8.717 189 2HB ARG 24 1HB ARG 24 1.528 -3.604 8.665 190 1HG ARG 24 2HG ARG 24 -1.084 -3.548 9.942 191 2HG ARG 24 1HG ARG 24 0.061 -4.624 10.753 192 1HD ARG 24 2HD ARG 24 1.682 -2.572 10.442 193 2HD ARG 24 1HD ARG 24 0.168 -1.675 10.348 194 HE ARG 24 HE ARG 24 1.323 -2.893 12.683 195 1HH1 ARG 24 1HH1 ARG 24 -1.630 -1.757 11.209 196 2HH1 ARG 24 2HH1 ARG 24 -2.437 -1.510 12.721 197 1HH2 ARG 24 1HH2 ARG 24 0.266 -2.567 14.670 198 2HH2 ARG 24 2HH2 ARG 24 -1.360 -1.969 14.687 199 H VAL 25 H VAL 25 1.330 -2.436 6.144 200 HA VAL 25 HA VAL 25 1.660 -4.585 4.153 201 HB VAL 25 HB VAL 25 1.834 -1.657 3.480 202 1HG1 VAL 25 1HG1 VAL 25 2.821 -2.800 1.752 203 2HG1 VAL 25 2HG1 VAL 25 1.145 -2.762 1.205 204 3HG1 VAL 25 3HG1 VAL 25 1.793 -4.219 1.958 205 1HG2 VAL 25 1HG2 VAL 25 -0.566 -3.337 3.845 206 2HG2 VAL 25 2HG2 VAL 25 -0.517 -2.351 2.384 207 3HG2 VAL 25 3HG2 VAL 25 -0.374 -1.587 3.967 208 H THR 26 H THR 26 3.721 -4.353 2.867 209 HA THR 26 HA THR 26 5.908 -3.903 4.691 210 HB THR 26 HB THR 26 7.268 -5.045 3.193 211 HG1 THR 26 1HG THR 26 5.656 -3.862 1.312 212 1HG2 THR 26 1HG2 THR 26 5.227 -6.551 1.957 213 2HG2 THR 26 2HG2 THR 26 4.685 -6.145 3.584 214 3HG2 THR 26 3HG2 THR 26 6.222 -6.976 3.348 215 H VAL 27 H VAL 27 7.449 -2.304 4.589 216 HA VAL 27 HA VAL 27 6.719 0.183 3.628 217 HB VAL 27 HB VAL 27 8.457 -0.126 5.329 218 1HG1 VAL 27 1HG1 VAL 27 10.479 -1.131 4.991 219 2HG1 VAL 27 2HG1 VAL 27 10.512 -0.742 3.271 220 3HG1 VAL 27 3HG1 VAL 27 9.495 -2.058 3.858 221 1HG2 VAL 27 1HG2 VAL 27 8.731 1.608 2.999 222 2HG2 VAL 27 2HG2 VAL 27 10.244 1.364 3.872 223 3HG2 VAL 27 3HG2 VAL 27 8.828 1.992 4.716 224 H MET 28 H MET 28 6.153 0.437 1.606 225 HA MET 28 HA MET 28 7.004 -0.780 -0.678 226 1HB MET 28 2HB MET 28 6.185 2.118 -0.525 227 2HB MET 28 1HB MET 28 5.997 1.022 -1.893 228 1HG MET 28 2HG MET 28 3.976 0.520 -1.163 229 2HG MET 28 1HG MET 28 4.700 -0.205 0.267 230 1HE MET 28 1HE MET 28 2.634 1.609 2.727 231 2HE MET 28 2HE MET 28 3.863 0.369 2.473 232 3HE MET 28 3HE MET 28 2.359 0.321 1.554 233 H GLU 29 H GLU 29 7.875 0.785 -2.573 234 HA GLU 29 HA GLU 29 10.663 1.255 -1.859 235 1HB GLU 29 2HB GLU 29 11.175 0.839 -4.085 236 2HB GLU 29 1HB GLU 29 9.766 -0.174 -3.856 237 1HG GLU 29 2HG GLU 29 8.358 1.488 -4.920 238 2HG GLU 29 1HG GLU 29 9.739 2.569 -5.095 239 H LYS 30 H LYS 30 11.616 3.232 -1.904 240 HA LYS 30 HA LYS 30 9.998 5.548 -1.912 241 1HB LYS 30 2HB LYS 30 12.480 4.974 -0.969 242 2HB LYS 30 1HB LYS 30 12.885 5.920 -2.395 243 1HG LYS 30 2HG LYS 30 11.962 7.839 -1.561 244 2HG LYS 30 1HG LYS 30 10.824 6.969 -0.524 245 1HD LYS 30 2HD LYS 30 12.733 6.271 0.898 246 2HD LYS 30 1HD LYS 30 13.796 7.270 -0.095 247 1HE LYS 30 2HE LYS 30 11.410 8.645 0.923 248 2HE LYS 30 1HE LYS 30 12.538 8.109 2.168 249 1HZ LYS 30 1HZ LYS 30 14.077 9.593 1.532 250 2HZ LYS 30 2HZ LYS 30 12.766 10.413 0.848 251 3HZ LYS 30 3HZ LYS 30 13.741 9.423 -0.117 252 H CYS 31 H CYS 31 8.920 5.881 -3.794 253 HA CYS 31 HA CYS 31 10.438 5.981 -6.290 254 1HB CYS 31 2HB CYS 31 7.696 5.352 -5.572 255 2HB CYS 31 1HB CYS 31 7.764 6.543 -6.865 256 HG CYS 31 HG CYS 31 9.510 4.120 -7.422 257 H SER 32 H SER 32 10.411 7.813 -7.646 258 HA SER 32 HA SER 32 10.086 10.322 -6.194 259 1HB SER 32 2HB SER 32 12.165 9.623 -7.608 260 2HB SER 32 1HB SER 32 11.181 10.129 -8.981 261 HG SER 32 HG SER 32 10.902 12.153 -7.750 262 H ASP 33 H ASP 33 8.697 8.553 -8.848 263 HA ASP 33 HA ASP 33 7.073 10.852 -9.628 264 1HB ASP 33 2HB ASP 33 8.015 8.441 -10.951 265 2HB ASP 33 1HB ASP 33 6.279 8.670 -11.174 266 H GLY 34 H GLY 34 4.726 10.309 -10.147 267 1HA GLY 34 2HA GLY 34 3.317 9.804 -7.826 268 2HA GLY 34 1HA GLY 34 2.631 9.686 -9.442 269 H TRP 35 H TRP 35 4.676 7.494 -10.017 270 HA TRP 35 HA TRP 35 2.977 5.325 -9.185 271 1HB TRP 35 2HB TRP 35 4.253 3.956 -10.645 272 2HB TRP 35 1HB TRP 35 4.126 5.515 -11.447 273 HD1 TRP 35 HD TRP 35 6.517 7.008 -9.933 274 HE1 TRP 35 1HE TRP 35 8.944 6.341 -10.462 275 HE3 TRP 35 3HE TRP 35 5.676 2.343 -11.848 276 HZ2 TRP 35 2HZ TRP 35 10.322 4.129 -11.546 277 HZ3 TRP 35 3HZ TRP 35 7.604 1.015 -12.608 278 HH2 TRP 35 HH TRP 35 9.878 1.893 -12.460 279 H TRP 36 H TRP 36 3.318 3.895 -7.571 280 HA TRP 36 HA TRP 36 5.913 3.916 -6.229 281 1HB TRP 36 2HB TRP 36 3.540 5.024 -5.201 282 2HB TRP 36 1HB TRP 36 3.802 3.524 -4.319 283 HD1 TRP 36 HD TRP 36 6.428 3.314 -3.274 284 HE1 TRP 36 1HE TRP 36 7.761 5.152 -2.053 285 HE3 TRP 36 3HE TRP 36 3.888 7.411 -4.964 286 HZ2 TRP 36 2HZ TRP 36 7.732 7.967 -1.837 287 HZ3 TRP 36 3HZ TRP 36 4.601 9.640 -4.205 288 HH2 TRP 36 HH TRP 36 6.484 9.911 -2.674 289 H ARG 37 H ARG 37 6.724 1.962 -5.958 290 HA ARG 37 HA ARG 37 4.926 -0.353 -6.155 291 1HB ARG 37 2HB ARG 37 7.042 0.100 -7.716 292 2HB ARG 37 1HB ARG 37 7.868 -0.691 -6.379 293 1HG ARG 37 2HG ARG 37 7.353 -2.602 -7.387 294 2HG ARG 37 1HG ARG 37 5.719 -2.328 -6.800 295 1HD ARG 37 2HD ARG 37 4.948 -1.616 -8.839 296 2HD ARG 37 1HD ARG 37 6.536 -1.047 -9.358 297 HE ARG 37 HE ARG 37 6.870 -3.719 -9.238 298 1HH1 ARG 37 1HH1 ARG 37 4.453 -1.712 -10.756 299 2HH1 ARG 37 2HH1 ARG 37 4.157 -2.828 -12.047 300 1HH2 ARG 37 1HH2 ARG 37 6.481 -5.189 -10.936 301 2HH2 ARG 37 2HH2 ARG 37 5.307 -4.802 -12.149 302 H GLY 38 H GLY 38 5.196 -2.111 -4.740 303 1HA GLY 38 2HA GLY 38 7.052 -2.057 -2.576 304 2HA GLY 38 1HA GLY 38 5.467 -1.495 -2.060 305 H SER 39 H SER 39 5.838 -3.427 -0.628 306 HA SER 39 HA SER 39 4.698 -5.799 -1.928 307 1HB SER 39 2HB SER 39 6.408 -6.346 0.404 308 2HB SER 39 1HB SER 39 6.293 -7.198 -1.135 309 HG SER 39 HG SER 39 7.656 -5.701 -2.051 310 H TYR 40 H TYR 40 3.489 -7.199 -0.568 311 HA TYR 40 HA TYR 40 2.557 -6.062 1.961 312 1HB TYR 40 2HB TYR 40 0.933 -5.263 0.359 313 2HB TYR 40 1HB TYR 40 0.783 -6.868 -0.353 314 HD1 TYR 40 1HD TYR 40 -0.002 -4.817 2.611 315 HD2 TYR 40 2HD TYR 40 -0.646 -8.518 0.617 316 HE1 TYR 40 1HE TYR 40 -1.860 -5.313 4.145 317 HE2 TYR 40 2HE TYR 40 -2.505 -9.026 2.144 318 HH TYR 40 HH TYR 40 -2.990 -7.883 4.896 319 H ASN 41 H ASN 41 1.835 -7.613 3.450 320 HA ASN 41 HA ASN 41 2.993 -10.147 3.274 321 1HB ASN 41 2HB ASN 41 0.699 -9.311 5.019 322 2HB ASN 41 1HB ASN 41 1.742 -10.701 5.287 323 1HD2 ASN 41 1HD2 ASN 41 1.161 -7.604 6.186 324 2HD2 ASN 41 2HD2 ASN 41 2.718 -7.179 6.800 325 H GLY 42 H GLY 42 2.362 -11.039 1.279 326 1HA GLY 42 2HA GLY 42 0.659 -13.033 1.108 327 2HA GLY 42 1HA GLY 42 -0.447 -11.683 0.905 328 H GLN 43 H GLN 43 1.489 -10.064 -0.535 329 HA GLN 43 HA GLN 43 2.385 -11.438 -2.843 330 1HB GLN 43 2HB GLN 43 0.743 -10.330 -4.432 331 2HB GLN 43 1HB GLN 43 0.124 -11.680 -3.484 332 1HG GLN 43 2HG GLN 43 -0.532 -9.664 -1.851 333 2HG GLN 43 1HG GLN 43 -0.577 -8.814 -3.399 334 1HE2 GLN 43 1HE2 GLN 43 -2.295 -10.667 -1.249 335 2HE2 GLN 43 2HE2 GLN 43 -3.596 -11.152 -2.285 336 H ILE 44 H ILE 44 2.916 -9.840 -4.656 337 HA ILE 44 HA ILE 44 3.772 -7.276 -3.480 338 HB ILE 44 HB ILE 44 5.239 -9.270 -5.132 339 1HG1 ILE 44 2HG1 ILE 44 7.134 -8.282 -3.742 340 2HG1 ILE 44 1HG1 ILE 44 5.887 -7.358 -2.904 341 1HG2 ILE 44 1HG2 ILE 44 5.701 -6.301 -5.394 342 2HG2 ILE 44 2HG2 ILE 44 5.251 -7.423 -6.677 343 3HG2 ILE 44 3HG2 ILE 44 6.837 -7.543 -5.917 344 1HD1 ILE 44 1HD1 ILE 44 5.891 -10.356 -3.099 345 2HD1 ILE 44 2HD1 ILE 44 4.868 -9.341 -2.082 346 3HD1 ILE 44 3HD1 ILE 44 6.598 -9.452 -1.759 347 H GLY 45 H GLY 45 3.979 -5.469 -5.017 348 1HA GLY 45 2HA GLY 45 3.310 -5.350 -7.640 349 2HA GLY 45 1HA GLY 45 1.740 -5.462 -6.853 350 H TRP 46 H TRP 46 0.811 -3.548 -6.774 351 HA TRP 46 HA TRP 46 2.457 -1.142 -6.511 352 1HB TRP 46 2HB TRP 46 0.397 -1.645 -8.211 353 2HB TRP 46 1HB TRP 46 -0.460 -0.854 -6.889 354 HD1 TRP 46 HD TRP 46 3.065 0.056 -8.192 355 HE1 TRP 46 1HE TRP 46 3.028 2.517 -8.939 356 HE3 TRP 46 3HE TRP 46 -1.910 1.026 -7.529 357 HZ2 TRP 46 2HZ TRP 46 1.133 4.595 -9.220 358 HZ3 TRP 46 3HZ TRP 46 -2.756 3.275 -8.061 359 HH2 TRP 46 HH TRP 46 -1.263 5.020 -8.888 360 H PHE 47 H PHE 47 2.084 0.409 -4.925 361 HA PHE 47 HA PHE 47 1.225 -0.624 -2.414 362 1HB PHE 47 2HB PHE 47 2.030 1.387 -1.470 363 2HB PHE 47 1HB PHE 47 3.107 1.034 -2.817 364 HD1 PHE 47 1HD PHE 47 2.630 3.701 -1.383 365 HD2 PHE 47 2HD PHE 47 1.023 2.020 -4.947 366 HE1 PHE 47 1HE PHE 47 2.244 5.961 -2.272 367 HE2 PHE 47 2HE PHE 47 0.631 4.276 -5.839 368 HZ PHE 47 HZ PHE 47 1.243 6.252 -4.503 369 HA PRO 48 HA PRO 48 -2.941 0.966 -2.544 370 1HB PRO 48 2HB PRO 48 -3.734 0.105 -0.146 371 2HB PRO 48 1HB PRO 48 -3.322 -1.035 -1.432 372 1HG PRO 48 2HG PRO 48 -1.815 -0.323 1.015 373 2HG PRO 48 1HG PRO 48 -1.802 -1.827 0.083 374 1HD PRO 48 2HD PRO 48 0.079 0.329 -0.034 375 2HD PRO 48 1HD PRO 48 0.060 -1.154 -1.007 376 H SER 49 H SER 49 -0.807 2.836 -1.725 377 HA SER 49 HA SER 49 -0.912 4.229 0.521 378 1HB SER 49 2HB SER 49 -0.339 4.862 -2.194 379 2HB SER 49 1HB SER 49 -1.152 6.239 -1.450 380 HG SER 49 HG SER 49 1.070 4.891 -0.310 381 H ASN 50 H ASN 50 -3.631 4.085 -1.694 382 HA ASN 50 HA ASN 50 -5.120 6.255 -1.167 383 1HB ASN 50 2HB ASN 50 -5.715 3.443 -1.729 384 2HB ASN 50 1HB ASN 50 -7.048 4.350 -1.029 385 1HD2 ASN 50 1HD2 ASN 50 -8.222 4.198 -2.927 386 2HD2 ASN 50 2HD2 ASN 50 -7.829 5.140 -4.315 387 H TYR 51 H TYR 51 -4.384 3.702 1.082 388 HA TYR 51 HA TYR 51 -5.237 5.343 3.263 389 1HB TYR 51 2HB TYR 51 -6.840 2.955 2.432 390 2HB TYR 51 1HB TYR 51 -6.669 3.313 4.150 391 HD1 TYR 51 1HD TYR 51 -8.573 3.929 1.250 392 HD2 TYR 51 2HD TYR 51 -7.228 5.792 4.831 393 HE1 TYR 51 1HE TYR 51 -10.401 5.564 1.079 394 HE2 TYR 51 2HE TYR 51 -9.053 7.432 4.669 395 HH TYR 51 HH TYR 51 -10.851 7.917 1.899 396 H VAL 52 H VAL 52 -2.788 4.834 3.087 397 HA VAL 52 HA VAL 52 -2.282 2.643 4.949 398 HB VAL 52 HB VAL 52 -0.596 1.639 3.749 399 1HG1 VAL 52 1HG1 VAL 52 -2.663 2.659 1.845 400 2HG1 VAL 52 2HG1 VAL 52 -2.504 1.055 2.557 401 3HG1 VAL 52 3HG1 VAL 52 -1.380 1.581 1.304 402 1HG2 VAL 52 1HG2 VAL 52 0.967 3.198 3.171 403 2HG2 VAL 52 2HG2 VAL 52 -0.229 4.318 2.516 404 3HG2 VAL 52 3HG2 VAL 52 0.265 2.907 1.580 405 H LEU 53 H LEU 53 -0.138 2.746 5.981 406 HA LEU 53 HA LEU 53 0.908 5.477 6.173 407 1HB LEU 53 2HB LEU 53 -0.594 4.726 8.098 408 2HB LEU 53 1HB LEU 53 0.697 3.621 8.503 409 HG LEU 53 HG LEU 53 2.154 5.365 9.063 410 1HD1 LEU 53 1HD1 LEU 53 1.862 6.868 7.253 411 2HD1 LEU 53 2HD1 LEU 53 1.501 7.764 8.729 412 3HD1 LEU 53 3HD1 LEU 53 0.187 7.184 7.705 413 1HD2 LEU 53 1HD2 LEU 53 1.154 6.033 10.968 414 2HD2 LEU 53 2HD2 LEU 53 -0.124 4.943 10.428 415 3HD2 LEU 53 3HD2 LEU 53 -0.254 6.677 10.124 416 H GLU 54 H GLU 54 2.973 5.464 5.539 417 HA GLU 54 HA GLU 54 4.529 3.000 5.881 418 1HB GLU 54 2HB GLU 54 4.300 3.790 3.580 419 2HB GLU 54 1HB GLU 54 4.993 5.342 4.030 420 1HG GLU 54 2HG GLU 54 6.777 3.280 4.840 421 2HG GLU 54 1HG GLU 54 6.311 3.002 3.161 422 H GLU 55 H GLU 55 6.349 2.940 7.066 423 HA GLU 55 HA GLU 55 7.127 5.391 8.453 424 1HB GLU 55 2HB GLU 55 8.004 2.620 9.210 425 2HB GLU 55 1HB GLU 55 7.934 4.057 10.221 426 1HG GLU 55 2HG GLU 55 5.326 3.649 9.374 427 2HG GLU 55 1HG GLU 55 5.950 2.041 9.734 428 H VAL 56 H VAL 56 8.853 6.401 7.668 429 HA VAL 56 HA VAL 56 10.731 4.993 5.986 430 HB VAL 56 HB VAL 56 10.783 7.900 6.788 431 1HG1 VAL 56 1HG1 VAL 56 12.369 6.208 4.967 432 2HG1 VAL 56 2HG1 VAL 56 12.817 7.678 5.833 433 3HG1 VAL 56 3HG1 VAL 56 11.889 7.784 4.337 434 1HG2 VAL 56 1HG2 VAL 56 9.183 8.381 5.300 435 2HG2 VAL 56 2HG2 VAL 56 8.778 6.666 5.363 436 3HG2 VAL 56 3HG2 VAL 56 9.847 7.273 4.099 437 H ASP 57 H ASP 57 11.734 3.630 7.516 438 HA ASP 57 HA ASP 57 12.875 4.339 9.928 439 1HB ASP 57 2HB ASP 57 12.837 2.071 8.320 440 2HB ASP 57 1HB ASP 57 14.549 2.461 8.459 Start of MODEL 5 1 1H ILE 1 1HT ILE 1 10.953 -1.374 9.998 2 2H ILE 1 2HT ILE 1 10.369 -2.867 9.385 3 3H ILE 1 3HT ILE 1 10.819 -2.730 11.036 4 HA ILE 1 HA ILE 1 8.584 -2.627 11.144 5 HB ILE 1 HB ILE 1 9.291 0.278 10.752 6 1HG1 ILE 1 2HG1 ILE 1 9.599 -1.257 13.327 7 2HG1 ILE 1 1HG1 ILE 1 10.928 -1.099 12.182 8 1HG2 ILE 1 1HG2 ILE 1 7.669 0.410 12.757 9 2HG2 ILE 1 2HG2 ILE 1 7.169 -1.204 12.253 10 3HG2 ILE 1 3HG2 ILE 1 7.008 0.156 11.142 11 1HD1 ILE 1 1HD1 ILE 1 9.645 1.434 12.855 12 2HD1 ILE 1 2HD1 ILE 1 11.353 0.999 12.802 13 3HD1 ILE 1 3HD1 ILE 1 10.389 0.613 14.227 14 HA PRO 2 HA PRO 2 6.632 -2.009 7.177 15 1HB PRO 2 2HB PRO 2 4.308 -3.195 7.730 16 2HB PRO 2 1HB PRO 2 5.805 -4.128 7.636 17 1HG PRO 2 2HG PRO 2 4.257 -3.265 10.022 18 2HG PRO 2 1HG PRO 2 5.215 -4.733 9.772 19 1HD PRO 2 2HD PRO 2 6.023 -2.388 11.127 20 2HD PRO 2 1HD PRO 2 7.052 -3.757 10.665 21 H ALA 3 H ALA 3 4.227 -1.368 6.537 22 HA ALA 3 HA ALA 3 3.727 1.179 7.844 23 1HB ALA 3 1HB ALA 3 3.127 0.109 5.123 24 2HB ALA 3 2HB ALA 3 3.961 1.592 5.589 25 3HB ALA 3 3HB ALA 3 2.209 1.474 5.758 26 H PHE 4 H PHE 4 1.317 1.861 7.794 27 HA PHE 4 HA PHE 4 -0.358 -0.383 8.629 28 1HB PHE 4 2HB PHE 4 0.067 0.507 10.689 29 2HB PHE 4 1HB PHE 4 0.284 2.128 10.051 30 HD1 PHE 4 1HD PHE 4 -1.242 3.649 10.821 31 HD2 PHE 4 2HD PHE 4 -2.487 -0.370 10.186 32 HE1 PHE 4 1HE PHE 4 -3.511 4.239 11.566 33 HE2 PHE 4 2HE PHE 4 -4.760 0.212 10.930 34 HZ PHE 4 HZ PHE 4 -5.274 2.519 11.621 35 H VAL 5 H VAL 5 -2.122 -0.566 7.411 36 HA VAL 5 HA VAL 5 -2.945 1.523 5.635 37 HB VAL 5 HB VAL 5 -4.439 -1.012 6.321 38 1HG1 VAL 5 1HG1 VAL 5 -4.605 0.904 4.002 39 2HG1 VAL 5 2HG1 VAL 5 -5.863 0.521 5.178 40 3HG1 VAL 5 3HG1 VAL 5 -5.351 -0.694 4.009 41 1HG2 VAL 5 1HG2 VAL 5 -3.246 -2.168 4.706 42 2HG2 VAL 5 2HG2 VAL 5 -1.996 -1.196 5.483 43 3HG2 VAL 5 3HG2 VAL 5 -2.668 -0.693 3.932 44 H LYS 6 H LYS 6 -4.583 2.954 5.826 45 HA LYS 6 HA LYS 6 -5.756 3.299 8.441 46 1HB LYS 6 2HB LYS 6 -6.049 4.914 5.909 47 2HB LYS 6 1HB LYS 6 -6.715 5.368 7.471 48 1HG LYS 6 2HG LYS 6 -4.655 5.880 8.357 49 2HG LYS 6 1HG LYS 6 -3.791 4.841 7.222 50 1HD LYS 6 2HD LYS 6 -3.775 6.419 5.576 51 2HD LYS 6 1HD LYS 6 -5.299 7.138 6.100 52 1HE LYS 6 2HE LYS 6 -2.605 7.457 7.414 53 2HE LYS 6 1HE LYS 6 -3.483 8.683 6.500 54 1HZ LYS 6 1HZ LYS 6 -3.950 7.694 9.210 55 2HZ LYS 6 2HZ LYS 6 -5.306 8.136 8.300 56 3HZ LYS 6 3HZ LYS 6 -4.081 9.265 8.594 57 H PHE 7 H PHE 7 -7.273 3.510 5.259 58 HA PHE 7 HA PHE 7 -9.588 2.087 6.342 59 1HB PHE 7 2HB PHE 7 -9.575 4.614 5.388 60 2HB PHE 7 1HB PHE 7 -9.963 3.710 3.927 61 HD1 PHE 7 1HD PHE 7 -10.948 3.109 7.462 62 HD2 PHE 7 2HD PHE 7 -12.202 4.073 3.511 63 HE1 PHE 7 1HE PHE 7 -13.299 2.964 8.176 64 HE2 PHE 7 2HE PHE 7 -14.554 3.930 4.217 65 HZ PHE 7 HZ PHE 7 -15.105 3.376 6.552 66 H ALA 8 H ALA 8 -10.690 0.591 5.032 67 HA ALA 8 HA ALA 8 -8.989 -0.744 3.108 68 1HB ALA 8 1HB ALA 8 -11.045 -1.546 4.925 69 2HB ALA 8 2HB ALA 8 -9.916 -2.546 4.011 70 3HB ALA 8 3HB ALA 8 -11.458 -2.080 3.296 71 H TYR 9 H TYR 9 -9.275 -0.742 0.950 72 HA TYR 9 HA TYR 9 -11.810 0.289 -0.112 73 1HB TYR 9 2HB TYR 9 -10.101 2.108 -0.087 74 2HB TYR 9 1HB TYR 9 -9.087 1.117 -1.132 75 HD1 TYR 9 1HD TYR 9 -9.185 1.507 -3.403 76 HD2 TYR 9 2HD TYR 9 -12.580 2.443 -1.016 77 HE1 TYR 9 1HE TYR 9 -10.320 2.416 -5.385 78 HE2 TYR 9 2HE TYR 9 -13.725 3.356 -2.992 79 HH TYR 9 HH TYR 9 -12.102 3.937 -5.953 80 H VAL 10 H VAL 10 -12.404 -0.496 -2.144 81 HA VAL 10 HA VAL 10 -11.178 -3.024 -2.854 82 HB VAL 10 HB VAL 10 -13.086 -3.170 -4.495 83 1HG1 VAL 10 1HG1 VAL 10 -13.662 -4.406 -2.698 84 2HG1 VAL 10 2HG1 VAL 10 -14.825 -3.106 -2.441 85 3HG1 VAL 10 3HG1 VAL 10 -13.299 -3.112 -1.557 86 1HG2 VAL 10 1HG2 VAL 10 -13.379 -0.659 -4.583 87 2HG2 VAL 10 2HG2 VAL 10 -14.190 -0.789 -3.021 88 3HG2 VAL 10 3HG2 VAL 10 -14.860 -1.605 -4.434 89 H ALA 11 H ALA 11 -10.137 -3.430 -4.822 90 HA ALA 11 HA ALA 11 -9.889 -1.141 -6.637 91 1HB ALA 11 1HB ALA 11 -7.565 -1.108 -6.610 92 2HB ALA 11 2HB ALA 11 -7.456 -2.694 -5.850 93 3HB ALA 11 3HB ALA 11 -8.007 -1.303 -4.914 94 H GLU 12 H GLU 12 -8.030 -2.026 -8.313 95 HA GLU 12 HA GLU 12 -9.433 -3.939 -9.922 96 1HB GLU 12 2HB GLU 12 -7.195 -2.028 -10.316 97 2HB GLU 12 1HB GLU 12 -7.252 -3.423 -11.384 98 1HG GLU 12 2HG GLU 12 -8.838 -2.488 -12.607 99 2HG GLU 12 1HG GLU 12 -9.856 -2.252 -11.187 100 H ARG 13 H ARG 13 -7.903 -5.440 -11.243 101 HA ARG 13 HA ARG 13 -6.859 -7.344 -9.370 102 1HB ARG 13 2HB ARG 13 -6.909 -8.900 -11.128 103 2HB ARG 13 1HB ARG 13 -8.291 -7.858 -11.413 104 1HG ARG 13 2HG ARG 13 -5.684 -7.922 -12.897 105 2HG ARG 13 1HG ARG 13 -7.307 -8.221 -13.515 106 1HD ARG 13 2HD ARG 13 -7.886 -5.886 -13.182 107 2HD ARG 13 1HD ARG 13 -6.297 -5.572 -12.486 108 HE ARG 13 HE ARG 13 -6.207 -6.665 -15.143 109 1HH1 ARG 13 1HH1 ARG 13 -6.452 -3.740 -13.257 110 2HH1 ARG 13 2HH1 ARG 13 -5.821 -2.729 -14.513 111 1HH2 ARG 13 1HH2 ARG 13 -5.376 -5.339 -16.796 112 2HH2 ARG 13 2HH2 ARG 13 -5.211 -3.637 -16.524 113 H GLU 14 H GLU 14 -4.910 -8.524 -11.227 114 HA GLU 14 HA GLU 14 -2.595 -7.501 -10.195 115 1HB GLU 14 2HB GLU 14 -2.866 -8.763 -12.929 116 2HB GLU 14 1HB GLU 14 -1.397 -8.669 -11.968 117 1HG GLU 14 2HG GLU 14 -3.787 -10.011 -10.811 118 2HG GLU 14 1HG GLU 14 -2.840 -10.852 -12.037 119 H ASP 15 H ASP 15 -2.106 -5.522 -10.198 120 HA ASP 15 HA ASP 15 -0.771 -4.020 -11.902 121 1HB ASP 15 2HB ASP 15 -2.488 -4.130 -13.636 122 2HB ASP 15 1HB ASP 15 -3.716 -3.580 -12.495 123 H GLU 16 H GLU 16 -3.844 -3.637 -10.261 124 HA GLU 16 HA GLU 16 -2.595 -1.882 -8.277 125 1HB GLU 16 2HB GLU 16 -3.945 -0.170 -8.805 126 2HB GLU 16 1HB GLU 16 -4.564 -1.099 -10.153 127 1HG GLU 16 2HG GLU 16 -6.258 -2.075 -8.674 128 2HG GLU 16 1HG GLU 16 -5.661 -1.043 -7.383 129 H LEU 17 H LEU 17 -3.520 -2.148 -6.124 130 HA LEU 17 HA LEU 17 -5.267 -4.504 -5.926 131 1HB LEU 17 2HB LEU 17 -3.841 -4.832 -3.687 132 2HB LEU 17 1HB LEU 17 -3.455 -5.603 -5.215 133 HG LEU 17 HG LEU 17 -1.472 -4.688 -4.117 134 1HD1 LEU 17 1HD1 LEU 17 -1.717 -2.875 -6.421 135 2HD1 LEU 17 2HD1 LEU 17 -2.038 -4.581 -6.731 136 3HD1 LEU 17 3HD1 LEU 17 -0.491 -4.085 -6.044 137 1HD2 LEU 17 1HD2 LEU 17 -1.150 -2.414 -3.660 138 2HD2 LEU 17 2HD2 LEU 17 -2.768 -2.771 -3.059 139 3HD2 LEU 17 3HD2 LEU 17 -2.563 -1.935 -4.597 140 H SER 18 H SER 18 -6.569 -4.726 -4.157 141 HA SER 18 HA SER 18 -7.761 -2.364 -3.183 142 1HB SER 18 2HB SER 18 -9.407 -3.729 -2.361 143 2HB SER 18 1HB SER 18 -8.670 -4.853 -3.507 144 HG SER 18 HG SER 18 -7.434 -5.677 -1.746 145 H LEU 19 H LEU 19 -7.881 -1.562 -1.048 146 HA LEU 19 HA LEU 19 -5.418 -1.985 0.458 147 1HB LEU 19 2HB LEU 19 -7.462 0.004 1.305 148 2HB LEU 19 1HB LEU 19 -5.710 0.110 1.353 149 HG LEU 19 HG LEU 19 -7.397 0.339 -1.128 150 1HD1 LEU 19 1HD1 LEU 19 -7.326 2.598 -0.961 151 2HD1 LEU 19 2HD1 LEU 19 -5.779 2.596 -0.113 152 3HD1 LEU 19 3HD1 LEU 19 -7.265 2.217 0.760 153 1HD2 LEU 19 1HD2 LEU 19 -4.512 1.062 -0.919 154 2HD2 LEU 19 2HD2 LEU 19 -5.471 0.673 -2.346 155 3HD2 LEU 19 3HD2 LEU 19 -4.996 -0.605 -1.230 156 H VAL 20 H VAL 20 -5.365 -2.379 2.667 157 HA VAL 20 HA VAL 20 -7.331 -4.249 3.580 158 HB VAL 20 HB VAL 20 -5.192 -3.129 5.355 159 1HG1 VAL 20 1HG1 VAL 20 -6.922 -5.495 5.261 160 2HG1 VAL 20 2HG1 VAL 20 -6.185 -4.679 6.638 161 3HG1 VAL 20 3HG1 VAL 20 -5.242 -5.824 5.684 162 1HG2 VAL 20 1HG2 VAL 20 -3.923 -3.528 3.417 163 2HG2 VAL 20 2HG2 VAL 20 -4.828 -4.990 3.024 164 3HG2 VAL 20 3HG2 VAL 20 -3.723 -4.979 4.399 165 H LYS 21 H LYS 21 -8.321 -4.161 5.721 166 HA LYS 21 HA LYS 21 -9.556 -1.565 6.156 167 1HB LYS 21 2HB LYS 21 -10.228 -4.049 7.700 168 2HB LYS 21 1HB LYS 21 -11.264 -2.690 7.294 169 1HG LYS 21 2HG LYS 21 -11.869 -3.578 5.328 170 2HG LYS 21 1HG LYS 21 -10.247 -4.174 4.978 171 1HD LYS 21 2HD LYS 21 -10.982 -5.777 7.052 172 2HD LYS 21 1HD LYS 21 -12.525 -5.527 6.233 173 1HE LYS 21 2HE LYS 21 -11.181 -6.083 4.085 174 2HE LYS 21 1HE LYS 21 -10.015 -6.791 5.203 175 1HZ LYS 21 1HZ LYS 21 -11.790 -8.194 6.081 176 2HZ LYS 21 2HZ LYS 21 -11.569 -8.449 4.424 177 3HZ LYS 21 3HZ LYS 21 -12.882 -7.533 4.970 178 H GLY 22 H GLY 22 -7.657 -3.956 7.958 179 1HA GLY 22 2HA GLY 22 -6.629 -1.883 9.662 180 2HA GLY 22 1HA GLY 22 -7.695 -2.998 10.487 181 H SER 23 H SER 23 -4.990 -3.129 8.221 182 HA SER 23 HA SER 23 -3.669 -5.040 9.978 183 1HB SER 23 2HB SER 23 -4.882 -5.840 7.639 184 2HB SER 23 1HB SER 23 -3.197 -5.616 7.167 185 HG SER 23 HG SER 23 -2.575 -7.125 8.616 186 H ARG 24 H ARG 24 -1.380 -5.505 8.569 187 HA ARG 24 HA ARG 24 -0.275 -2.804 8.215 188 1HB ARG 24 2HB ARG 24 0.865 -5.177 9.606 189 2HB ARG 24 1HB ARG 24 1.900 -3.887 9.025 190 1HG ARG 24 2HG ARG 24 -0.432 -3.120 10.679 191 2HG ARG 24 1HG ARG 24 0.910 -3.940 11.490 192 1HD ARG 24 2HD ARG 24 2.354 -2.187 10.175 193 2HD ARG 24 1HD ARG 24 0.839 -1.289 10.124 194 HE ARG 24 HE ARG 24 1.136 -0.775 12.322 195 1HH1 ARG 24 1HH1 ARG 24 3.059 -3.594 11.592 196 2HH1 ARG 24 2HH1 ARG 24 3.801 -3.647 13.155 197 1HH2 ARG 24 1HH2 ARG 24 2.111 -0.844 14.379 198 2HH2 ARG 24 2HH2 ARG 24 3.262 -2.087 14.738 199 H VAL 25 H VAL 25 0.826 -2.377 6.451 200 HA VAL 25 HA VAL 25 1.407 -4.568 4.569 201 HB VAL 25 HB VAL 25 1.056 -1.642 3.894 202 1HG1 VAL 25 1HG1 VAL 25 2.277 -2.624 2.168 203 2HG1 VAL 25 2HG1 VAL 25 0.609 -2.714 1.600 204 3HG1 VAL 25 3HG1 VAL 25 1.389 -4.144 2.277 205 1HG2 VAL 25 1HG2 VAL 25 -0.992 -2.794 4.864 206 2HG2 VAL 25 2HG2 VAL 25 -0.982 -3.796 3.413 207 3HG2 VAL 25 3HG2 VAL 25 -1.177 -2.049 3.276 208 H THR 26 H THR 26 3.339 -4.076 3.096 209 HA THR 26 HA THR 26 5.566 -3.392 4.786 210 HB THR 26 HB THR 26 6.953 -4.220 3.065 211 HG1 THR 26 1HG THR 26 4.880 -3.368 1.482 212 1HG2 THR 26 1HG2 THR 26 6.286 -6.360 2.919 213 2HG2 THR 26 2HG2 THR 26 4.677 -5.933 2.334 214 3HG2 THR 26 3HG2 THR 26 5.047 -5.825 4.055 215 H VAL 27 H VAL 27 6.874 -1.616 4.676 216 HA VAL 27 HA VAL 27 5.809 0.808 3.893 217 HB VAL 27 HB VAL 27 7.665 0.604 5.486 218 1HG1 VAL 27 1HG1 VAL 27 9.439 0.144 3.095 219 2HG1 VAL 27 2HG1 VAL 27 8.911 -1.127 4.197 220 3HG1 VAL 27 3HG1 VAL 27 9.919 0.193 4.791 221 1HG2 VAL 27 1HG2 VAL 27 8.391 2.702 5.093 222 2HG2 VAL 27 2HG2 VAL 27 7.195 2.656 3.797 223 3HG2 VAL 27 3HG2 VAL 27 8.893 2.334 3.444 224 H MET 28 H MET 28 5.476 1.726 2.049 225 HA MET 28 HA MET 28 5.993 0.657 -0.438 226 1HB MET 28 2HB MET 28 5.595 3.579 0.209 227 2HB MET 28 1HB MET 28 5.309 2.805 -1.347 228 1HG MET 28 2HG MET 28 3.849 2.015 1.154 229 2HG MET 28 1HG MET 28 3.277 3.279 0.069 230 1HE MET 28 1HE MET 28 3.014 3.049 -2.294 231 2HE MET 28 2HE MET 28 2.157 1.692 -3.020 232 3HE MET 28 3HE MET 28 3.918 1.737 -3.049 233 H GLU 29 H GLU 29 7.035 2.288 -2.170 234 HA GLU 29 HA GLU 29 9.859 2.549 -1.387 235 1HB GLU 29 2HB GLU 29 10.479 1.955 -3.581 236 2HB GLU 29 1HB GLU 29 9.166 0.866 -3.192 237 1HG GLU 29 2HG GLU 29 7.667 1.965 -4.595 238 2HG GLU 29 1HG GLU 29 8.668 3.413 -4.681 239 H LYS 30 H LYS 30 10.942 4.461 -1.809 240 HA LYS 30 HA LYS 30 9.353 6.794 -2.145 241 1HB LYS 30 2HB LYS 30 12.323 6.309 -2.021 242 2HB LYS 30 1HB LYS 30 11.670 7.908 -2.348 243 1HG LYS 30 2HG LYS 30 10.803 8.142 -0.228 244 2HG LYS 30 1HG LYS 30 10.720 6.398 0.042 245 1HD LYS 30 2HD LYS 30 12.856 6.281 0.766 246 2HD LYS 30 1HD LYS 30 13.422 7.486 -0.393 247 1HE LYS 30 2HE LYS 30 13.523 8.122 2.065 248 2HE LYS 30 1HE LYS 30 12.750 9.273 0.977 249 1HZ LYS 30 1HZ LYS 30 10.618 8.590 1.707 250 2HZ LYS 30 2HZ LYS 30 11.541 8.849 3.100 251 3HZ LYS 30 3HZ LYS 30 11.244 7.273 2.565 252 H CYS 31 H CYS 31 8.320 6.826 -4.098 253 HA CYS 31 HA CYS 31 9.973 6.606 -6.513 254 1HB CYS 31 2HB CYS 31 7.767 5.227 -6.032 255 2HB CYS 31 1HB CYS 31 6.991 6.687 -6.638 256 HG CYS 31 HG CYS 31 7.965 6.269 -8.938 257 H SER 32 H SER 32 9.668 8.115 -8.237 258 HA SER 32 HA SER 32 9.056 10.800 -7.269 259 1HB SER 32 2HB SER 32 11.148 10.746 -8.359 260 2HB SER 32 1HB SER 32 10.534 9.737 -9.670 261 HG SER 32 HG SER 32 10.714 12.353 -9.627 262 H ASP 33 H ASP 33 7.906 8.392 -9.499 263 HA ASP 33 HA ASP 33 6.010 10.232 -10.719 264 1HB ASP 33 2HB ASP 33 7.137 7.615 -11.383 265 2HB ASP 33 1HB ASP 33 5.398 7.708 -11.667 266 H GLY 34 H GLY 34 3.712 9.426 -10.947 267 1HA GLY 34 2HA GLY 34 2.535 9.225 -8.403 268 2HA GLY 34 1HA GLY 34 1.702 8.985 -9.935 269 H TRP 35 H TRP 35 3.858 6.772 -10.393 270 HA TRP 35 HA TRP 35 2.191 4.652 -9.357 271 1HB TRP 35 2HB TRP 35 4.752 3.871 -10.584 272 2HB TRP 35 1HB TRP 35 3.118 3.330 -10.946 273 HD1 TRP 35 HD TRP 35 1.638 5.337 -12.402 274 HE1 TRP 35 1HE TRP 35 2.477 6.652 -14.450 275 HE3 TRP 35 3HE TRP 35 6.673 4.730 -11.751 276 HZ2 TRP 35 2HZ TRP 35 4.946 7.338 -15.634 277 HZ3 TRP 35 3HZ TRP 35 8.205 5.745 -13.387 278 HH2 TRP 35 HH TRP 35 7.357 7.022 -15.288 279 H TRP 36 H TRP 36 2.414 4.529 -7.156 280 HA TRP 36 HA TRP 36 5.065 4.426 -5.992 281 1HB TRP 36 2HB TRP 36 2.499 5.219 -5.080 282 2HB TRP 36 1HB TRP 36 3.018 3.866 -4.079 283 HD1 TRP 36 HD TRP 36 6.195 4.738 -4.249 284 HE1 TRP 36 1HE TRP 36 6.958 6.675 -2.731 285 HE3 TRP 36 3HE TRP 36 1.656 6.919 -3.367 286 HZ2 TRP 36 2HZ TRP 36 5.790 8.841 -1.349 287 HZ3 TRP 36 3HZ TRP 36 1.566 8.920 -1.937 288 HH2 TRP 36 HH TRP 36 3.592 9.859 -0.950 289 H ARG 37 H ARG 37 6.118 2.616 -5.560 290 HA ARG 37 HA ARG 37 4.736 0.063 -5.875 291 1HB ARG 37 2HB ARG 37 7.100 0.870 -6.881 292 2HB ARG 37 1HB ARG 37 7.654 0.121 -5.389 293 1HG ARG 37 2HG ARG 37 7.557 -1.850 -6.381 294 2HG ARG 37 1HG ARG 37 5.808 -1.665 -6.523 295 1HD ARG 37 2HD ARG 37 5.918 -1.243 -8.721 296 2HD ARG 37 1HD ARG 37 7.314 -0.183 -8.539 297 HE ARG 37 HE ARG 37 7.333 -2.965 -9.233 298 1HH1 ARG 37 1HH1 ARG 37 9.182 -0.374 -7.802 299 2HH1 ARG 37 2HH1 ARG 37 10.713 -1.111 -8.141 300 1HH2 ARG 37 1HH2 ARG 37 9.344 -3.937 -9.679 301 2HH2 ARG 37 2HH2 ARG 37 10.805 -3.134 -9.207 302 H GLY 38 H GLY 38 4.893 -1.606 -4.382 303 1HA GLY 38 2HA GLY 38 6.164 -1.293 -1.839 304 2HA GLY 38 1HA GLY 38 4.426 -1.026 -1.740 305 H SER 39 H SER 39 4.868 -2.961 -0.239 306 HA SER 39 HA SER 39 4.291 -5.378 -1.782 307 1HB SER 39 2HB SER 39 5.803 -5.956 0.645 308 2HB SER 39 1HB SER 39 6.035 -6.561 -0.996 309 HG SER 39 HG SER 39 7.108 -4.588 -1.473 310 H TYR 40 H TYR 40 2.879 -6.816 -0.884 311 HA TYR 40 HA TYR 40 1.789 -6.223 1.761 312 1HB TYR 40 2HB TYR 40 -0.076 -5.299 0.928 313 2HB TYR 40 1HB TYR 40 0.474 -5.597 -0.719 314 HD1 TYR 40 1HD TYR 40 -0.691 -7.094 -2.072 315 HD2 TYR 40 2HD TYR 40 -1.240 -7.267 2.144 316 HE1 TYR 40 1HE TYR 40 -2.500 -8.729 -2.380 317 HE2 TYR 40 2HE TYR 40 -3.052 -8.905 1.846 318 HH TYR 40 HH TYR 40 -4.415 -9.599 -1.230 319 H ASN 41 H ASN 41 0.893 -8.011 2.811 320 HA ASN 41 HA ASN 41 1.966 -10.506 2.165 321 1HB ASN 41 2HB ASN 41 -0.486 -10.140 3.843 322 2HB ASN 41 1HB ASN 41 0.745 -11.388 3.988 323 1HD2 ASN 41 1HD2 ASN 41 -0.112 -8.104 4.675 324 2HD2 ASN 41 2HD2 ASN 41 1.202 -7.765 5.745 325 H GLY 42 H GLY 42 1.465 -10.903 -0.004 326 1HA GLY 42 2HA GLY 42 -0.407 -12.698 -0.663 327 2HA GLY 42 1HA GLY 42 -1.288 -11.186 -0.820 328 H GLN 43 H GLN 43 0.791 -9.584 -1.772 329 HA GLN 43 HA GLN 43 2.109 -10.713 -4.000 330 1HB GLN 43 2HB GLN 43 0.825 -9.771 -5.819 331 2HB GLN 43 1HB GLN 43 -0.210 -10.821 -4.854 332 1HG GLN 43 2HG GLN 43 -0.981 -8.716 -3.665 333 2HG GLN 43 1HG GLN 43 -0.176 -7.821 -4.957 334 1HE2 GLN 43 1HE2 GLN 43 -2.827 -9.854 -4.085 335 2HE2 GLN 43 2HE2 GLN 43 -3.726 -9.669 -5.552 336 H ILE 44 H ILE 44 3.156 -9.074 -5.375 337 HA ILE 44 HA ILE 44 3.651 -6.609 -3.847 338 HB ILE 44 HB ILE 44 5.446 -8.410 -5.402 339 1HG1 ILE 44 2HG1 ILE 44 6.987 -7.785 -3.531 340 2HG1 ILE 44 1HG1 ILE 44 5.695 -6.778 -2.876 341 1HG2 ILE 44 1HG2 ILE 44 5.909 -5.441 -5.146 342 2HG2 ILE 44 2HG2 ILE 44 5.761 -6.371 -6.637 343 3HG2 ILE 44 3HG2 ILE 44 7.152 -6.614 -5.582 344 1HD1 ILE 44 1HD1 ILE 44 5.330 -9.710 -3.379 345 2HD1 ILE 44 2HD1 ILE 44 4.361 -8.635 -2.371 346 3HD1 ILE 44 3HD1 ILE 44 5.992 -9.082 -1.871 347 H GLY 45 H GLY 45 4.095 -4.665 -5.048 348 1HA GLY 45 2HA GLY 45 4.074 -4.089 -7.658 349 2HA GLY 45 1HA GLY 45 2.371 -4.444 -7.381 350 H TRP 46 H TRP 46 1.447 -2.486 -7.573 351 HA TRP 46 HA TRP 46 2.594 -0.230 -6.108 352 1HB TRP 46 2HB TRP 46 0.464 -0.367 -8.251 353 2HB TRP 46 1HB TRP 46 0.937 1.121 -7.427 354 HD1 TRP 46 HD TRP 46 3.289 2.181 -8.065 355 HE1 TRP 46 1HE TRP 46 4.883 1.809 -10.050 356 HE3 TRP 46 3HE TRP 46 1.329 -2.183 -9.856 357 HZ2 TRP 46 2HZ TRP 46 5.256 -0.093 -12.109 358 HZ3 TRP 46 3HZ TRP 46 2.362 -3.216 -11.836 359 HH2 TRP 46 HH TRP 46 4.284 -2.192 -12.939 360 H PHE 47 H PHE 47 1.413 0.935 -4.576 361 HA PHE 47 HA PHE 47 -1.210 -0.137 -3.812 362 1HB PHE 47 2HB PHE 47 0.913 -1.064 -2.504 363 2HB PHE 47 1HB PHE 47 0.679 0.421 -1.591 364 HD1 PHE 47 1HD PHE 47 -0.080 -2.949 -1.691 365 HD2 PHE 47 2HD PHE 47 -1.893 0.826 -0.934 366 HE1 PHE 47 1HE PHE 47 -1.814 -4.057 -0.345 367 HE2 PHE 47 2HE PHE 47 -3.632 -0.277 0.415 368 HZ PHE 47 HZ PHE 47 -3.593 -2.721 0.711 369 HA PRO 48 HA PRO 48 -2.137 4.253 -3.743 370 1HB PRO 48 2HB PRO 48 -4.316 3.132 -2.074 371 2HB PRO 48 1HB PRO 48 -4.416 4.307 -3.386 372 1HG PRO 48 2HG PRO 48 -5.134 1.814 -3.834 373 2HG PRO 48 1HG PRO 48 -4.132 2.661 -5.029 374 1HD PRO 48 2HD PRO 48 -3.337 0.600 -3.010 375 2HD PRO 48 1HD PRO 48 -2.781 0.814 -4.684 376 H SER 49 H SER 49 -0.319 4.773 -2.356 377 HA SER 49 HA SER 49 -0.274 4.380 0.416 378 1HB SER 49 2HB SER 49 1.318 5.716 -1.519 379 2HB SER 49 1HB SER 49 1.028 6.837 -0.185 380 HG SER 49 HG SER 49 2.239 5.650 1.066 381 H ASN 50 H ASN 50 -2.303 6.336 -1.437 382 HA ASN 50 HA ASN 50 -2.731 8.652 -0.145 383 1HB ASN 50 2HB ASN 50 -4.425 6.775 -1.632 384 2HB ASN 50 1HB ASN 50 -5.286 7.949 -0.643 385 1HD2 ASN 50 1HD2 ASN 50 -5.061 10.142 -1.086 386 2HD2 ASN 50 2HD2 ASN 50 -4.489 10.698 -2.615 387 H TYR 51 H TYR 51 -3.348 5.490 1.172 388 HA TYR 51 HA TYR 51 -4.123 6.785 3.662 389 1HB TYR 51 2HB TYR 51 -5.744 4.409 2.832 390 2HB TYR 51 1HB TYR 51 -6.150 5.700 3.963 391 HD1 TYR 51 1HD TYR 51 -5.855 4.843 0.379 392 HD2 TYR 51 2HD TYR 51 -7.297 7.652 3.231 393 HE1 TYR 51 1HE TYR 51 -7.144 5.964 -1.389 394 HE2 TYR 51 2HE TYR 51 -8.591 8.781 1.470 395 HH TYR 51 HH TYR 51 -9.141 7.418 -1.572 396 H VAL 52 H VAL 52 -1.785 5.969 3.616 397 HA VAL 52 HA VAL 52 -1.759 3.421 5.026 398 HB VAL 52 HB VAL 52 -0.004 2.495 3.833 399 1HG1 VAL 52 1HG1 VAL 52 -1.978 2.429 2.484 400 2HG1 VAL 52 2HG1 VAL 52 -0.604 2.738 1.421 401 3HG1 VAL 52 3HG1 VAL 52 -1.680 4.058 1.877 402 1HG2 VAL 52 1HG2 VAL 52 0.559 5.248 2.727 403 2HG2 VAL 52 2HG2 VAL 52 1.373 3.780 2.189 404 3HG2 VAL 52 3HG2 VAL 52 1.554 4.328 3.855 405 H LEU 53 H LEU 53 -0.072 3.186 6.572 406 HA LEU 53 HA LEU 53 1.098 5.752 7.397 407 1HB LEU 53 2HB LEU 53 -0.203 3.607 8.804 408 2HB LEU 53 1HB LEU 53 1.417 3.827 9.429 409 HG LEU 53 HG LEU 53 0.199 5.200 10.815 410 1HD1 LEU 53 1HD1 LEU 53 1.127 7.216 10.493 411 2HD1 LEU 53 2HD1 LEU 53 0.400 7.407 8.897 412 3HD1 LEU 53 3HD1 LEU 53 1.879 6.462 9.086 413 1HD2 LEU 53 1HD2 LEU 53 -1.844 4.809 9.204 414 2HD2 LEU 53 2HD2 LEU 53 -1.455 6.452 8.688 415 3HD2 LEU 53 3HD2 LEU 53 -1.839 6.126 10.379 416 H GLU 54 H GLU 54 3.207 5.965 6.933 417 HA GLU 54 HA GLU 54 4.818 3.534 6.637 418 1HB GLU 54 2HB GLU 54 4.716 4.979 4.676 419 2HB GLU 54 1HB GLU 54 5.327 6.328 5.625 420 1HG GLU 54 2HG GLU 54 7.050 4.002 5.775 421 2HG GLU 54 1HG GLU 54 6.816 4.571 4.121 422 H GLU 55 H GLU 55 6.511 3.123 7.884 423 HA GLU 55 HA GLU 55 7.350 5.156 9.816 424 1HB GLU 55 2HB GLU 55 7.592 2.223 10.344 425 2HB GLU 55 1HB GLU 55 7.510 3.544 11.500 426 1HG GLU 55 2HG GLU 55 5.107 3.715 10.237 427 2HG GLU 55 1HG GLU 55 5.399 1.981 10.267 428 H VAL 56 H VAL 56 9.368 5.830 9.434 429 HA VAL 56 HA VAL 56 11.131 4.324 7.744 430 HB VAL 56 HB VAL 56 11.950 6.772 9.281 431 1HG1 VAL 56 1HG1 VAL 56 13.685 6.891 7.849 432 2HG1 VAL 56 2HG1 VAL 56 12.717 6.367 6.470 433 3HG1 VAL 56 3HG1 VAL 56 13.350 5.176 7.607 434 1HG2 VAL 56 1HG2 VAL 56 11.168 7.841 6.952 435 2HG2 VAL 56 2HG2 VAL 56 10.123 7.761 8.372 436 3HG2 VAL 56 3HG2 VAL 56 9.969 6.554 7.096 437 H ASP 57 H ASP 57 11.418 2.427 9.033 438 HA ASP 57 HA ASP 57 12.457 2.442 11.647 439 1HB ASP 57 2HB ASP 57 11.387 0.472 10.609 440 2HB ASP 57 1HB ASP 57 12.759 0.314 9.516 Start of MODEL 6 1 1H ILE 1 1HT ILE 1 10.685 -1.763 7.687 2 2H ILE 1 2HT ILE 1 10.149 -3.181 8.492 3 3H ILE 1 3HT ILE 1 11.194 -2.081 9.293 4 HA ILE 1 HA ILE 1 8.904 -1.946 10.013 5 HB ILE 1 HB ILE 1 8.733 0.630 9.308 6 1HG1 ILE 1 2HG1 ILE 1 11.153 1.434 9.101 7 2HG1 ILE 1 1HG1 ILE 1 11.550 -0.219 8.646 8 1HG2 ILE 1 1HG2 ILE 1 10.238 -0.854 11.346 9 2HG2 ILE 1 2HG2 ILE 1 9.046 0.433 11.522 10 3HG2 ILE 1 3HG2 ILE 1 10.720 0.828 11.129 11 1HD1 ILE 1 1HD1 ILE 1 10.593 -0.030 6.607 12 2HD1 ILE 1 2HD1 ILE 1 10.984 1.669 6.869 13 3HD1 ILE 1 3HD1 ILE 1 9.347 1.083 7.170 14 HA PRO 2 HA PRO 2 6.118 -2.220 6.493 15 1HB PRO 2 2HB PRO 2 4.028 -3.258 7.787 16 2HB PRO 2 1HB PRO 2 5.481 -4.220 7.489 17 1HG PRO 2 2HG PRO 2 4.584 -2.864 9.994 18 2HG PRO 2 1HG PRO 2 5.370 -4.440 9.790 19 1HD PRO 2 2HD PRO 2 6.651 -2.075 10.512 20 2HD PRO 2 1HD PRO 2 7.450 -3.521 9.868 21 H ALA 3 H ALA 3 3.461 -1.772 6.653 22 HA ALA 3 HA ALA 3 3.227 0.925 7.766 23 1HB ALA 3 1HB ALA 3 3.406 1.162 5.401 24 2HB ALA 3 2HB ALA 3 1.720 1.440 5.838 25 3HB ALA 3 3HB ALA 3 2.205 -0.101 5.129 26 H PHE 4 H PHE 4 1.018 1.606 8.272 27 HA PHE 4 HA PHE 4 -0.644 -0.660 9.075 28 1HB PHE 4 2HB PHE 4 -0.207 0.246 11.108 29 2HB PHE 4 1HB PHE 4 0.123 1.835 10.432 30 HD1 PHE 4 1HD PHE 4 -1.384 3.542 10.805 31 HD2 PHE 4 2HD PHE 4 -2.712 -0.491 11.078 32 HE1 PHE 4 1HE PHE 4 -3.583 4.324 11.585 33 HE2 PHE 4 2HE PHE 4 -4.913 0.282 11.858 34 HZ PHE 4 HZ PHE 4 -5.351 2.693 12.112 35 H VAL 5 H VAL 5 -2.445 -0.895 7.922 36 HA VAL 5 HA VAL 5 -3.458 1.310 6.327 37 HB VAL 5 HB VAL 5 -4.566 -1.490 6.519 38 1HG1 VAL 5 1HG1 VAL 5 -5.270 0.884 5.010 39 2HG1 VAL 5 2HG1 VAL 5 -6.164 -0.618 5.234 40 3HG1 VAL 5 3HG1 VAL 5 -4.946 -0.497 3.965 41 1HG2 VAL 5 1HG2 VAL 5 -2.029 -0.840 5.653 42 2HG2 VAL 5 2HG2 VAL 5 -2.970 -0.886 4.162 43 3HG2 VAL 5 3HG2 VAL 5 -2.932 -2.293 5.226 44 H LYS 6 H LYS 6 -5.573 2.137 6.442 45 HA LYS 6 HA LYS 6 -6.835 1.795 9.068 46 1HB LYS 6 2HB LYS 6 -7.401 4.067 7.189 47 2HB LYS 6 1HB LYS 6 -7.658 3.990 8.925 48 1HG LYS 6 2HG LYS 6 -5.623 4.770 9.351 49 2HG LYS 6 1HG LYS 6 -4.868 3.632 8.235 50 1HD LYS 6 2HD LYS 6 -4.840 5.121 6.528 51 2HD LYS 6 1HD LYS 6 -6.367 5.862 7.009 52 1HE LYS 6 2HE LYS 6 -5.039 6.812 8.990 53 2HE LYS 6 1HE LYS 6 -3.606 6.379 8.061 54 1HZ LYS 6 1HZ LYS 6 -5.526 8.506 7.621 55 2HZ LYS 6 2HZ LYS 6 -5.029 7.689 6.226 56 3HZ LYS 6 3HZ LYS 6 -3.883 8.429 7.226 57 H PHE 7 H PHE 7 -8.136 2.930 5.986 58 HA PHE 7 HA PHE 7 -10.482 1.268 6.419 59 1HB PHE 7 2HB PHE 7 -10.021 3.874 5.278 60 2HB PHE 7 1HB PHE 7 -10.879 2.848 4.128 61 HD1 PHE 7 1HD PHE 7 -12.549 1.207 5.870 62 HD2 PHE 7 2HD PHE 7 -11.594 5.347 6.107 63 HE1 PHE 7 1HE PHE 7 -14.655 1.619 7.072 64 HE2 PHE 7 2HE PHE 7 -13.699 5.767 7.311 65 HZ PHE 7 HZ PHE 7 -15.233 3.902 7.794 66 H ALA 8 H ALA 8 -11.433 0.078 4.650 67 HA ALA 8 HA ALA 8 -9.395 -1.044 2.881 68 1HB ALA 8 1HB ALA 8 -11.387 -2.227 4.535 69 2HB ALA 8 2HB ALA 8 -10.143 -3.017 3.567 70 3HB ALA 8 3HB ALA 8 -11.715 -2.656 2.857 71 H TYR 9 H TYR 9 -9.811 -1.385 0.689 72 HA TYR 9 HA TYR 9 -12.259 -0.192 -0.405 73 1HB TYR 9 2HB TYR 9 -10.271 1.414 -0.472 74 2HB TYR 9 1HB TYR 9 -9.554 0.308 -1.645 75 HD1 TYR 9 1HD TYR 9 -9.580 1.472 -3.665 76 HD2 TYR 9 2HD TYR 9 -13.099 1.399 -1.275 77 HE1 TYR 9 1HE TYR 9 -10.824 2.582 -5.473 78 HE2 TYR 9 2HE TYR 9 -14.352 2.508 -3.075 79 HH TYR 9 HH TYR 9 -13.317 4.185 -5.275 80 H VAL 10 H VAL 10 -13.129 -1.298 -2.089 81 HA VAL 10 HA VAL 10 -11.876 -3.809 -2.792 82 HB VAL 10 HB VAL 10 -13.996 -4.317 -3.946 83 1HG1 VAL 10 1HG1 VAL 10 -13.771 -3.651 -1.092 84 2HG1 VAL 10 2HG1 VAL 10 -14.261 -5.153 -1.874 85 3HG1 VAL 10 3HG1 VAL 10 -15.417 -3.833 -1.693 86 1HG2 VAL 10 1HG2 VAL 10 -14.366 -1.464 -3.657 87 2HG2 VAL 10 2HG2 VAL 10 -15.738 -2.358 -3.002 88 3HG2 VAL 10 3HG2 VAL 10 -15.236 -2.614 -4.673 89 H ALA 11 H ALA 11 -10.401 -3.739 -4.352 90 HA ALA 11 HA ALA 11 -10.838 -3.461 -7.002 91 1HB ALA 11 1HB ALA 11 -9.692 -1.074 -7.286 92 2HB ALA 11 2HB ALA 11 -10.518 -0.789 -5.754 93 3HB ALA 11 3HB ALA 11 -11.441 -1.272 -7.177 94 H GLU 12 H GLU 12 -9.251 -5.085 -6.858 95 HA GLU 12 HA GLU 12 -6.511 -4.049 -6.617 96 1HB GLU 12 2HB GLU 12 -6.080 -6.580 -5.894 97 2HB GLU 12 1HB GLU 12 -6.462 -5.325 -4.726 98 1HG GLU 12 2HG GLU 12 -8.434 -6.241 -4.197 99 2HG GLU 12 1HG GLU 12 -8.800 -6.667 -5.868 100 H ARG 13 H ARG 13 -5.534 -4.168 -8.482 101 HA ARG 13 HA ARG 13 -5.491 -6.577 -10.023 102 1HB ARG 13 2HB ARG 13 -7.409 -5.815 -11.105 103 2HB ARG 13 1HB ARG 13 -6.930 -4.129 -10.963 104 1HG ARG 13 2HG ARG 13 -5.105 -5.686 -12.616 105 2HG ARG 13 1HG ARG 13 -6.761 -5.679 -13.222 106 1HD ARG 13 2HD ARG 13 -6.059 -3.051 -12.361 107 2HD ARG 13 1HD ARG 13 -4.809 -3.659 -13.440 108 HE ARG 13 HE ARG 13 -7.636 -3.775 -14.230 109 1HH1 ARG 13 1HH1 ARG 13 -4.384 -2.620 -14.802 110 2HH1 ARG 13 2HH1 ARG 13 -4.745 -2.030 -16.387 111 1HH2 ARG 13 1HH2 ARG 13 -8.100 -2.998 -16.312 112 2HH2 ARG 13 2HH2 ARG 13 -6.849 -2.243 -17.244 113 H GLU 14 H GLU 14 -3.697 -6.606 -11.501 114 HA GLU 14 HA GLU 14 -1.461 -5.157 -10.694 115 1HB GLU 14 2HB GLU 14 -0.469 -5.843 -12.896 116 2HB GLU 14 1HB GLU 14 -1.173 -7.170 -11.981 117 1HG GLU 14 2HG GLU 14 -3.292 -6.488 -13.467 118 2HG GLU 14 1HG GLU 14 -1.995 -5.990 -14.553 119 H ASP 15 H ASP 15 -1.448 -3.012 -10.644 120 HA ASP 15 HA ASP 15 -0.846 -1.088 -12.074 121 1HB ASP 15 2HB ASP 15 -1.960 -2.022 -14.102 122 2HB ASP 15 1HB ASP 15 -3.522 -1.662 -13.366 123 H GLU 16 H GLU 16 -3.793 -2.159 -10.562 124 HA GLU 16 HA GLU 16 -4.239 0.553 -9.517 125 1HB GLU 16 2HB GLU 16 -6.524 0.051 -9.215 126 2HB GLU 16 1HB GLU 16 -6.119 -0.615 -10.778 127 1HG GLU 16 2HG GLU 16 -5.874 -2.830 -9.730 128 2HG GLU 16 1HG GLU 16 -6.456 -2.116 -8.229 129 H LEU 17 H LEU 17 -4.633 0.854 -7.296 130 HA LEU 17 HA LEU 17 -3.472 -1.269 -5.627 131 1HB LEU 17 2HB LEU 17 -3.007 0.562 -4.004 132 2HB LEU 17 1HB LEU 17 -2.168 0.719 -5.540 133 HG LEU 17 HG LEU 17 -4.324 2.229 -6.078 134 1HD1 LEU 17 1HD1 LEU 17 -4.672 1.714 -3.377 135 2HD1 LEU 17 2HD1 LEU 17 -5.453 2.982 -4.321 136 3HD1 LEU 17 3HD1 LEU 17 -3.973 3.333 -3.429 137 1HD2 LEU 17 1HD2 LEU 17 -1.635 2.631 -5.680 138 2HD2 LEU 17 2HD2 LEU 17 -2.376 3.746 -4.533 139 3HD2 LEU 17 3HD2 LEU 17 -2.788 3.840 -6.245 140 H SER 18 H SER 18 -4.605 -2.181 -4.032 141 HA SER 18 HA SER 18 -7.287 -1.151 -3.488 142 1HB SER 18 2HB SER 18 -7.958 -3.372 -2.916 143 2HB SER 18 1HB SER 18 -7.033 -3.500 -4.414 144 HG SER 18 HG SER 18 -6.578 -4.722 -2.115 145 H LEU 19 H LEU 19 -8.022 -0.946 -1.352 146 HA LEU 19 HA LEU 19 -5.867 -0.609 0.591 147 1HB LEU 19 2HB LEU 19 -8.704 0.370 0.456 148 2HB LEU 19 1HB LEU 19 -7.761 0.485 1.932 149 HG LEU 19 HG LEU 19 -7.810 2.573 0.563 150 1HD1 LEU 19 1HD1 LEU 19 -6.048 2.211 2.176 151 2HD1 LEU 19 2HD1 LEU 19 -5.396 3.004 0.742 152 3HD1 LEU 19 3HD1 LEU 19 -5.123 1.280 0.998 153 1HD2 LEU 19 1HD2 LEU 19 -7.605 1.133 -1.608 154 2HD2 LEU 19 2HD2 LEU 19 -5.874 1.291 -1.312 155 3HD2 LEU 19 3HD2 LEU 19 -6.868 2.733 -1.529 156 H VAL 20 H VAL 20 -5.945 -1.462 2.679 157 HA VAL 20 HA VAL 20 -7.372 -4.004 2.863 158 HB VAL 20 HB VAL 20 -5.435 -3.083 4.947 159 1HG1 VAL 20 1HG1 VAL 20 -6.377 -5.690 3.823 160 2HG1 VAL 20 2HG1 VAL 20 -6.358 -5.133 5.496 161 3HG1 VAL 20 3HG1 VAL 20 -4.852 -5.591 4.703 162 1HG2 VAL 20 1HG2 VAL 20 -3.559 -3.954 3.636 163 2HG2 VAL 20 2HG2 VAL 20 -4.308 -2.567 2.846 164 3HG2 VAL 20 3HG2 VAL 20 -4.634 -4.197 2.258 165 H LYS 21 H LYS 21 -8.234 -4.639 5.021 166 HA LYS 21 HA LYS 21 -10.096 -2.674 5.932 167 1HB LYS 21 2HB LYS 21 -9.461 -5.475 6.855 168 2HB LYS 21 1HB LYS 21 -10.703 -4.483 7.606 169 1HG LYS 21 2HG LYS 21 -12.157 -5.119 6.069 170 2HG LYS 21 1HG LYS 21 -11.133 -4.443 4.802 171 1HD LYS 21 2HD LYS 21 -9.860 -6.800 5.433 172 2HD LYS 21 1HD LYS 21 -11.568 -7.222 5.578 173 1HE LYS 21 2HE LYS 21 -11.769 -5.973 3.293 174 2HE LYS 21 1HE LYS 21 -10.036 -6.286 3.190 175 1HZ LYS 21 1HZ LYS 21 -10.361 -8.551 3.109 176 2HZ LYS 21 2HZ LYS 21 -11.688 -7.990 2.220 177 3HZ LYS 21 3HZ LYS 21 -11.893 -8.481 3.826 178 H GLY 22 H GLY 22 -7.393 -4.383 7.505 179 1HA GLY 22 2HA GLY 22 -6.629 -2.063 8.971 180 2HA GLY 22 1HA GLY 22 -7.490 -3.203 9.987 181 H SER 23 H SER 23 -5.498 -4.296 7.362 182 HA SER 23 HA SER 23 -3.737 -5.578 9.283 183 1HB SER 23 2HB SER 23 -4.845 -6.355 6.783 184 2HB SER 23 1HB SER 23 -3.088 -6.338 6.622 185 HG SER 23 HG SER 23 -3.436 -8.287 7.456 186 H ARG 24 H ARG 24 -1.388 -5.821 8.488 187 HA ARG 24 HA ARG 24 -0.426 -3.139 7.824 188 1HB ARG 24 2HB ARG 24 0.977 -5.449 9.109 189 2HB ARG 24 1HB ARG 24 1.735 -3.912 8.751 190 1HG ARG 24 2HG ARG 24 -0.713 -3.598 10.270 191 2HG ARG 24 1HG ARG 24 0.465 -4.624 11.100 192 1HD ARG 24 2HD ARG 24 2.158 -2.772 10.516 193 2HD ARG 24 1HD ARG 24 0.738 -1.772 10.211 194 HE ARG 24 HE ARG 24 0.499 -1.554 12.461 195 1HH1 ARG 24 1HH1 ARG 24 2.338 -4.456 11.846 196 2HH1 ARG 24 2HH1 ARG 24 2.615 -4.786 13.523 197 1HH2 ARG 24 1HH2 ARG 24 0.862 -1.987 14.668 198 2HH2 ARG 24 2HH2 ARG 24 1.777 -3.384 15.126 199 H VAL 25 H VAL 25 1.176 -2.797 6.276 200 HA VAL 25 HA VAL 25 1.579 -5.007 4.363 201 HB VAL 25 HB VAL 25 1.262 -2.091 3.653 202 1HG1 VAL 25 1HG1 VAL 25 2.565 -3.164 2.002 203 2HG1 VAL 25 2HG1 VAL 25 0.931 -3.056 1.354 204 3HG1 VAL 25 3HG1 VAL 25 1.522 -4.587 2.001 205 1HG2 VAL 25 1HG2 VAL 25 -0.728 -4.342 3.581 206 2HG2 VAL 25 2HG2 VAL 25 -0.935 -2.829 2.698 207 3HG2 VAL 25 3HG2 VAL 25 -0.849 -2.818 4.459 208 H THR 26 H THR 26 3.505 -4.643 2.901 209 HA THR 26 HA THR 26 5.759 -3.873 4.532 210 HB THR 26 HB THR 26 7.114 -4.975 3.022 211 HG1 THR 26 1HG THR 26 5.350 -3.964 1.174 212 1HG2 THR 26 1HG2 THR 26 4.589 -6.254 3.434 213 2HG2 THR 26 2HG2 THR 26 6.199 -6.959 3.310 214 3HG2 THR 26 3HG2 THR 26 5.244 -6.686 1.855 215 H VAL 27 H VAL 27 7.096 -2.129 4.269 216 HA VAL 27 HA VAL 27 6.050 0.229 3.269 217 HB VAL 27 HB VAL 27 7.895 0.161 4.885 218 1HG1 VAL 27 1HG1 VAL 27 10.131 -0.378 4.289 219 2HG1 VAL 27 2HG1 VAL 27 9.715 -0.507 2.581 220 3HG1 VAL 27 3HG1 VAL 27 9.116 -1.707 3.726 221 1HG2 VAL 27 1HG2 VAL 27 8.658 1.670 2.386 222 2HG2 VAL 27 2HG2 VAL 27 9.154 2.044 4.037 223 3HG2 VAL 27 3HG2 VAL 27 7.462 2.203 3.568 224 H MET 28 H MET 28 5.642 0.857 1.309 225 HA MET 28 HA MET 28 6.392 -0.477 -1.020 226 1HB MET 28 2HB MET 28 5.535 2.408 -0.908 227 2HB MET 28 1HB MET 28 5.277 1.249 -2.210 228 1HG MET 28 2HG MET 28 3.282 0.834 -1.355 229 2HG MET 28 1HG MET 28 4.084 0.100 0.030 230 1HE MET 28 1HE MET 28 3.722 0.466 1.988 231 2HE MET 28 2HE MET 28 2.376 1.460 2.546 232 3HE MET 28 3HE MET 28 4.036 2.014 2.771 233 H GLU 29 H GLU 29 7.214 1.113 -2.927 234 HA GLU 29 HA GLU 29 9.986 1.647 -2.235 235 1HB GLU 29 2HB GLU 29 9.093 1.904 -5.036 236 2HB GLU 29 1HB GLU 29 10.499 1.103 -4.371 237 1HG GLU 29 2HG GLU 29 8.197 -0.366 -3.606 238 2HG GLU 29 1HG GLU 29 8.109 -0.028 -5.331 239 H LYS 30 H LYS 30 11.051 3.525 -3.228 240 HA LYS 30 HA LYS 30 9.260 5.817 -3.515 241 1HB LYS 30 2HB LYS 30 10.184 6.094 -1.359 242 2HB LYS 30 1HB LYS 30 11.784 5.598 -1.896 243 1HG LYS 30 2HG LYS 30 11.499 8.044 -1.447 244 2HG LYS 30 1HG LYS 30 12.136 7.633 -3.039 245 1HD LYS 30 2HD LYS 30 9.877 7.909 -3.981 246 2HD LYS 30 1HD LYS 30 9.282 8.371 -2.386 247 1HE LYS 30 2HE LYS 30 9.795 10.277 -3.949 248 2HE LYS 30 1HE LYS 30 10.584 10.350 -2.374 249 1HZ LYS 30 1HZ LYS 30 12.626 9.938 -3.273 250 2HZ LYS 30 2HZ LYS 30 11.918 10.774 -4.562 251 3HZ LYS 30 3HZ LYS 30 12.014 9.085 -4.600 252 H CYS 31 H CYS 31 9.354 6.089 -5.651 253 HA CYS 31 HA CYS 31 11.978 6.283 -6.951 254 1HB CYS 31 2HB CYS 31 9.874 4.772 -7.728 255 2HB CYS 31 1HB CYS 31 9.523 6.255 -8.609 256 HG CYS 31 HG CYS 31 11.030 4.584 -10.021 257 H SER 32 H SER 32 12.272 7.989 -8.545 258 HA SER 32 HA SER 32 11.594 10.524 -7.566 259 1HB SER 32 2HB SER 32 13.521 9.842 -9.144 260 2HB SER 32 1HB SER 32 12.341 10.037 -10.441 261 HG SER 32 HG SER 32 12.938 12.041 -8.525 262 H ASP 33 H ASP 33 9.929 8.400 -9.748 263 HA ASP 33 HA ASP 33 8.175 10.475 -10.748 264 1HB ASP 33 2HB ASP 33 8.712 7.654 -11.365 265 2HB ASP 33 1HB ASP 33 7.009 8.100 -11.483 266 H GLY 34 H GLY 34 5.755 10.031 -10.651 267 1HA GLY 34 2HA GLY 34 4.983 10.002 -7.906 268 2HA GLY 34 1HA GLY 34 3.909 10.171 -9.288 269 H TRP 35 H TRP 35 5.488 7.471 -10.064 270 HA TRP 35 HA TRP 35 3.355 5.795 -9.042 271 1HB TRP 35 2HB TRP 35 3.960 4.224 -10.667 272 2HB TRP 35 1HB TRP 35 4.306 5.763 -11.445 273 HD1 TRP 35 HD TRP 35 7.155 6.422 -10.437 274 HE1 TRP 35 1HE TRP 35 9.169 4.945 -11.061 275 HE3 TRP 35 3HE TRP 35 4.670 2.105 -11.588 276 HZ2 TRP 35 2HZ TRP 35 9.642 2.299 -11.925 277 HZ3 TRP 35 3HZ TRP 35 5.976 0.147 -12.304 278 HH2 TRP 35 HH TRP 35 8.411 0.244 -12.470 279 H TRP 36 H TRP 36 3.528 4.302 -7.465 280 HA TRP 36 HA TRP 36 6.171 3.529 -6.519 281 1HB TRP 36 2HB TRP 36 3.996 4.631 -4.736 282 2HB TRP 36 1HB TRP 36 5.481 3.872 -4.163 283 HD1 TRP 36 HD TRP 36 7.809 5.191 -4.938 284 HE1 TRP 36 1HE TRP 36 8.242 7.727 -5.075 285 HE3 TRP 36 3HE TRP 36 2.977 6.818 -5.152 286 HZ2 TRP 36 2HZ TRP 36 6.725 10.102 -5.251 287 HZ3 TRP 36 3HZ TRP 36 2.547 9.235 -5.303 288 HH2 TRP 36 HH TRP 36 4.385 10.844 -5.351 289 H ARG 37 H ARG 37 6.301 1.413 -6.207 290 HA ARG 37 HA ARG 37 3.803 -0.106 -6.031 291 1HB ARG 37 2HB ARG 37 6.140 -0.493 -7.540 292 2HB ARG 37 1HB ARG 37 6.162 -1.748 -6.309 293 1HG ARG 37 2HG ARG 37 3.567 -1.829 -7.173 294 2HG ARG 37 1HG ARG 37 4.447 -1.439 -8.650 295 1HD ARG 37 2HD ARG 37 4.076 -3.911 -8.073 296 2HD ARG 37 1HD ARG 37 5.690 -3.407 -8.574 297 HE ARG 37 HE ARG 37 5.250 -3.415 -5.719 298 1HH1 ARG 37 1HH1 ARG 37 6.304 -5.258 -8.489 299 2HH1 ARG 37 2HH1 ARG 37 7.257 -6.358 -7.550 300 1HH2 ARG 37 1HH2 ARG 37 6.503 -4.859 -4.485 301 2HH2 ARG 37 2HH2 ARG 37 7.370 -6.132 -5.278 302 H GLY 38 H GLY 38 3.524 -1.710 -4.443 303 1HA GLY 38 2HA GLY 38 5.431 -1.587 -2.201 304 2HA GLY 38 1HA GLY 38 3.708 -1.364 -1.916 305 H SER 39 H SER 39 5.303 -3.341 -0.694 306 HA SER 39 HA SER 39 4.290 -5.792 -1.952 307 1HB SER 39 2HB SER 39 6.160 -6.429 0.096 308 2HB SER 39 1HB SER 39 6.343 -6.644 -1.647 309 HG SER 39 HG SER 39 7.646 -4.974 -0.077 310 H TYR 40 H TYR 40 3.409 -7.408 -0.625 311 HA TYR 40 HA TYR 40 2.344 -6.448 1.954 312 1HB TYR 40 2HB TYR 40 1.040 -7.753 -0.372 313 2HB TYR 40 1HB TYR 40 0.496 -8.247 1.224 314 HD1 TYR 40 1HD TYR 40 -1.184 -7.057 2.257 315 HD2 TYR 40 2HD TYR 40 1.043 -5.187 -0.847 316 HE1 TYR 40 1HE TYR 40 -2.728 -5.149 2.310 317 HE2 TYR 40 2HE TYR 40 -0.494 -3.265 -0.798 318 HH TYR 40 HH TYR 40 -2.634 -2.686 1.687 319 H ASN 41 H ASN 41 2.278 -7.982 3.636 320 HA ASN 41 HA ASN 41 4.213 -10.036 3.549 321 1HB ASN 41 2HB ASN 41 3.002 -10.810 5.705 322 2HB ASN 41 1HB ASN 41 3.781 -9.227 5.706 323 1HD2 ASN 41 1HD2 ASN 41 2.540 -7.391 5.782 324 2HD2 ASN 41 2HD2 ASN 41 0.850 -7.413 6.136 325 H GLY 42 H GLY 42 3.699 -11.289 1.717 326 1HA GLY 42 2HA GLY 42 2.884 -13.650 1.569 327 2HA GLY 42 1HA GLY 42 1.320 -12.984 2.016 328 H GLN 43 H GLN 43 2.216 -10.576 0.235 329 HA GLN 43 HA GLN 43 2.145 -11.669 -2.412 330 1HB GLN 43 2HB GLN 43 -0.006 -10.317 -2.929 331 2HB GLN 43 1HB GLN 43 -0.158 -11.907 -2.189 332 1HG GLN 43 2HG GLN 43 -0.402 -10.836 0.010 333 2HG GLN 43 1HG GLN 43 -0.314 -9.254 -0.772 334 1HE2 GLN 43 1HE2 GLN 43 -2.251 -11.982 -0.041 335 2HE2 GLN 43 2HE2 GLN 43 -3.731 -11.391 -0.720 336 H ILE 44 H ILE 44 1.759 -9.757 -4.042 337 HA ILE 44 HA ILE 44 2.919 -7.282 -2.988 338 HB ILE 44 HB ILE 44 4.088 -9.073 -5.064 339 1HG1 ILE 44 2HG1 ILE 44 6.180 -8.040 -3.998 340 2HG1 ILE 44 1HG1 ILE 44 5.067 -7.329 -2.828 341 1HG2 ILE 44 1HG2 ILE 44 5.391 -7.184 -6.003 342 2HG2 ILE 44 2HG2 ILE 44 4.341 -6.068 -5.130 343 3HG2 ILE 44 3HG2 ILE 44 3.673 -7.103 -6.392 344 1HD1 ILE 44 1HD1 ILE 44 6.239 -9.868 -2.765 345 2HD1 ILE 44 2HD1 ILE 44 4.523 -10.118 -3.084 346 3HD1 ILE 44 3HD1 ILE 44 5.032 -9.201 -1.665 347 H GLY 45 H GLY 45 2.648 -5.425 -4.371 348 1HA GLY 45 2HA GLY 45 1.138 -5.474 -6.761 349 2HA GLY 45 1HA GLY 45 0.067 -5.148 -5.403 350 H TRP 46 H TRP 46 -0.431 -3.065 -5.999 351 HA TRP 46 HA TRP 46 1.765 -1.148 -6.256 352 1HB TRP 46 2HB TRP 46 -0.246 -1.322 -7.904 353 2HB TRP 46 1HB TRP 46 -1.125 -0.440 -6.654 354 HD1 TRP 46 HD TRP 46 2.553 0.294 -7.477 355 HE1 TRP 46 1HE TRP 46 2.722 2.691 -8.401 356 HE3 TRP 46 3HE TRP 46 -2.431 1.379 -7.830 357 HZ2 TRP 46 2HZ TRP 46 0.972 4.762 -9.187 358 HZ3 TRP 46 3HZ TRP 46 -3.099 3.589 -8.679 359 HH2 TRP 46 HH TRP 46 -1.432 5.244 -9.343 360 H PHE 47 H PHE 47 1.927 0.686 -4.977 361 HA PHE 47 HA PHE 47 1.386 0.394 -2.283 362 1HB PHE 47 2HB PHE 47 2.366 2.468 -1.971 363 2HB PHE 47 1HB PHE 47 3.039 1.968 -3.521 364 HD1 PHE 47 1HD PHE 47 1.978 4.707 -1.870 365 HD2 PHE 47 2HD PHE 47 1.192 2.660 -5.518 366 HE1 PHE 47 1HE PHE 47 1.168 6.805 -2.868 367 HE2 PHE 47 2HE PHE 47 0.384 4.757 -6.523 368 HZ PHE 47 HZ PHE 47 0.370 6.831 -5.198 369 HA PRO 48 HA PRO 48 -2.882 1.820 -2.300 370 1HB PRO 48 2HB PRO 48 -3.669 0.362 -0.183 371 2HB PRO 48 1HB PRO 48 -3.412 -0.364 -1.771 372 1HG PRO 48 2HG PRO 48 -1.811 -0.619 0.678 373 2HG PRO 48 1HG PRO 48 -1.858 -1.666 -0.748 374 1HD PRO 48 2HD PRO 48 0.059 0.398 -0.085 375 2HD PRO 48 1HD PRO 48 0.079 -0.737 -1.449 376 H SER 49 H SER 49 -0.696 3.341 -1.117 377 HA SER 49 HA SER 49 -0.965 3.987 1.542 378 1HB SER 49 2HB SER 49 0.373 5.052 -0.723 379 2HB SER 49 1HB SER 49 -0.390 6.389 0.142 380 HG SER 49 HG SER 49 0.658 5.669 2.032 381 H ASN 50 H ASN 50 -3.359 4.451 -0.807 382 HA ASN 50 HA ASN 50 -4.536 6.834 -0.395 383 1HB ASN 50 2HB ASN 50 -5.505 4.131 -0.978 384 2HB ASN 50 1HB ASN 50 -6.729 5.235 -0.367 385 1HD2 ASN 50 1HD2 ASN 50 -7.790 5.217 -2.342 386 2HD2 ASN 50 2HD2 ASN 50 -7.177 6.075 -3.705 387 H TYR 51 H TYR 51 -4.345 4.205 1.883 388 HA TYR 51 HA TYR 51 -5.061 5.983 4.023 389 1HB TYR 51 2HB TYR 51 -6.808 3.568 3.470 390 2HB TYR 51 1HB TYR 51 -6.883 4.571 4.920 391 HD1 TYR 51 1HD TYR 51 -7.667 4.382 1.347 392 HD2 TYR 51 2HD TYR 51 -7.868 6.790 4.847 393 HE1 TYR 51 1HE TYR 51 -9.276 5.864 0.226 394 HE2 TYR 51 2HE TYR 51 -9.480 8.280 3.736 395 HH TYR 51 HH TYR 51 -11.096 7.472 0.926 396 H VAL 52 H VAL 52 -2.711 5.182 3.942 397 HA VAL 52 HA VAL 52 -2.526 2.982 5.847 398 HB VAL 52 HB VAL 52 -1.007 1.723 4.703 399 1HG1 VAL 52 1HG1 VAL 52 -2.582 3.115 2.550 400 2HG1 VAL 52 2HG1 VAL 52 -2.985 1.614 3.384 401 3HG1 VAL 52 3HG1 VAL 52 -1.614 1.667 2.275 402 1HG2 VAL 52 1HG2 VAL 52 0.298 2.757 2.697 403 2HG2 VAL 52 2HG2 VAL 52 0.813 3.107 4.347 404 3HG2 VAL 52 3HG2 VAL 52 -0.132 4.294 3.449 405 H LEU 53 H LEU 53 -0.393 2.905 6.958 406 HA LEU 53 HA LEU 53 0.717 5.602 7.260 407 1HB LEU 53 2HB LEU 53 -0.412 4.966 9.254 408 2HB LEU 53 1HB LEU 53 0.325 3.383 9.228 409 HG LEU 53 HG LEU 53 2.448 4.302 9.813 410 1HD1 LEU 53 1HD1 LEU 53 1.115 6.842 9.118 411 2HD1 LEU 53 2HD1 LEU 53 2.772 6.313 8.824 412 3HD1 LEU 53 3HD1 LEU 53 2.298 6.880 10.426 413 1HD2 LEU 53 1HD2 LEU 53 0.444 5.653 11.591 414 2HD2 LEU 53 2HD2 LEU 53 2.006 4.962 12.032 415 3HD2 LEU 53 3HD2 LEU 53 0.671 3.904 11.572 416 H GLU 54 H GLU 54 2.713 5.753 6.417 417 HA GLU 54 HA GLU 54 4.358 3.322 6.302 418 1HB GLU 54 2HB GLU 54 3.850 4.386 4.149 419 2HB GLU 54 1HB GLU 54 4.617 5.869 4.704 420 1HG GLU 54 2HG GLU 54 6.401 3.644 5.028 421 2HG GLU 54 1HG GLU 54 5.804 3.720 3.368 422 H GLU 55 H GLU 55 6.328 3.207 7.217 423 HA GLU 55 HA GLU 55 7.283 5.576 8.653 424 1HB GLU 55 2HB GLU 55 8.020 2.804 9.486 425 2HB GLU 55 1HB GLU 55 7.932 4.263 10.461 426 1HG GLU 55 2HG GLU 55 5.349 3.908 9.641 427 2HG GLU 55 1HG GLU 55 5.922 2.262 9.889 428 H VAL 56 H VAL 56 9.072 6.385 7.756 429 HA VAL 56 HA VAL 56 10.791 4.640 6.186 430 HB VAL 56 HB VAL 56 10.844 7.651 6.416 431 1HG1 VAL 56 1HG1 VAL 56 12.455 5.679 4.859 432 2HG1 VAL 56 2HG1 VAL 56 12.975 7.134 5.710 433 3HG1 VAL 56 3HG1 VAL 56 12.127 7.270 4.170 434 1HG2 VAL 56 1HG2 VAL 56 10.077 7.090 3.866 435 2HG2 VAL 56 2HG2 VAL 56 8.971 7.492 5.181 436 3HG2 VAL 56 3HG2 VAL 56 9.271 5.805 4.765 437 H ASP 57 H ASP 57 11.712 3.578 8.042 438 HA ASP 57 HA ASP 57 13.096 4.938 10.082 439 1HB ASP 57 2HB ASP 57 12.382 2.574 10.245 440 2HB ASP 57 1HB ASP 57 13.580 2.143 9.029 Start of MODEL 7 1 1H ILE 1 1HT ILE 1 10.471 -2.703 11.596 2 2H ILE 1 2HT ILE 1 10.743 -1.516 10.387 3 3H ILE 1 3HT ILE 1 10.120 -3.056 9.956 4 HA ILE 1 HA ILE 1 8.238 -2.494 11.519 5 HB ILE 1 HB ILE 1 9.116 0.301 10.812 6 1HG1 ILE 1 2HG1 ILE 1 9.332 -1.093 13.490 7 2HG1 ILE 1 1HG1 ILE 1 10.689 -0.718 12.433 8 1HG2 ILE 1 1HG2 ILE 1 6.738 0.070 11.068 9 2HG2 ILE 1 2HG2 ILE 1 7.382 0.914 12.476 10 3HG2 ILE 1 3HG2 ILE 1 6.944 -0.790 12.594 11 1HD1 ILE 1 1HD1 ILE 1 10.660 1.489 12.956 12 2HD1 ILE 1 2HD1 ILE 1 10.006 0.832 14.455 13 3HD1 ILE 1 3HD1 ILE 1 8.921 1.514 13.244 14 HA PRO 2 HA PRO 2 6.667 -2.343 7.331 15 1HB PRO 2 2HB PRO 2 4.291 -3.470 7.807 16 2HB PRO 2 1HB PRO 2 5.784 -4.409 7.897 17 1HG PRO 2 2HG PRO 2 4.080 -3.341 10.088 18 2HG PRO 2 1HG PRO 2 5.026 -4.837 10.025 19 1HD PRO 2 2HD PRO 2 5.781 -2.423 11.263 20 2HD PRO 2 1HD PRO 2 6.832 -3.815 10.937 21 H ALA 3 H ALA 3 4.197 -1.835 6.536 22 HA ALA 3 HA ALA 3 3.712 0.870 7.489 23 1HB ALA 3 1HB ALA 3 3.959 1.023 5.212 24 2HB ALA 3 2HB ALA 3 2.207 0.879 5.355 25 3HB ALA 3 3HB ALA 3 3.174 -0.529 4.915 26 H PHE 4 H PHE 4 1.302 1.557 7.336 27 HA PHE 4 HA PHE 4 -0.411 -0.568 8.369 28 1HB PHE 4 2HB PHE 4 0.393 0.664 10.277 29 2HB PHE 4 1HB PHE 4 -0.090 2.176 9.522 30 HD1 PHE 4 1HD PHE 4 -1.288 -0.871 11.166 31 HD2 PHE 4 2HD PHE 4 -2.365 2.913 9.547 32 HE1 PHE 4 1HE PHE 4 -3.494 -1.043 12.244 33 HE2 PHE 4 2HE PHE 4 -4.573 2.750 10.621 34 HZ PHE 4 HZ PHE 4 -5.139 0.770 11.971 35 H VAL 5 H VAL 5 -2.383 -0.676 7.480 36 HA VAL 5 HA VAL 5 -3.112 1.305 5.491 37 HB VAL 5 HB VAL 5 -4.648 -1.159 6.325 38 1HG1 VAL 5 1HG1 VAL 5 -6.054 0.359 5.137 39 2HG1 VAL 5 2HG1 VAL 5 -5.602 -0.930 4.021 40 3HG1 VAL 5 3HG1 VAL 5 -4.813 0.644 3.918 41 1HG2 VAL 5 1HG2 VAL 5 -2.610 -0.823 4.126 42 2HG2 VAL 5 2HG2 VAL 5 -3.625 -2.245 4.370 43 3HG2 VAL 5 3HG2 VAL 5 -2.427 -1.799 5.585 44 H LYS 6 H LYS 6 -4.709 2.791 5.665 45 HA LYS 6 HA LYS 6 -5.822 3.223 8.302 46 1HB LYS 6 2HB LYS 6 -6.009 4.862 5.776 47 2HB LYS 6 1HB LYS 6 -6.664 5.349 7.333 48 1HG LYS 6 2HG LYS 6 -4.563 5.674 8.259 49 2HG LYS 6 1HG LYS 6 -3.766 4.667 7.049 50 1HD LYS 6 2HD LYS 6 -3.698 6.340 5.502 51 2HD LYS 6 1HD LYS 6 -5.184 7.089 6.088 52 1HE LYS 6 2HE LYS 6 -3.121 7.208 8.096 53 2HE LYS 6 1HE LYS 6 -2.553 7.907 6.581 54 1HZ LYS 6 1HZ LYS 6 -3.560 9.701 7.535 55 2HZ LYS 6 2HZ LYS 6 -4.738 8.783 8.330 56 3HZ LYS 6 3HZ LYS 6 -4.873 9.077 6.670 57 H PHE 7 H PHE 7 -7.059 2.752 5.028 58 HA PHE 7 HA PHE 7 -9.518 1.695 6.171 59 1HB PHE 7 2HB PHE 7 -9.285 4.210 4.824 60 2HB PHE 7 1HB PHE 7 -10.270 3.121 3.850 61 HD1 PHE 7 1HD PHE 7 -11.784 1.587 5.715 62 HD2 PHE 7 2HD PHE 7 -10.640 5.678 5.943 63 HE1 PHE 7 1HE PHE 7 -13.717 2.041 7.166 64 HE2 PHE 7 2HE PHE 7 -12.571 6.141 7.394 65 HZ PHE 7 HZ PHE 7 -14.113 4.321 8.008 66 H ALA 8 H ALA 8 -10.660 0.238 4.838 67 HA ALA 8 HA ALA 8 -8.980 -1.184 2.984 68 1HB ALA 8 1HB ALA 8 -11.247 -1.801 4.624 69 2HB ALA 8 2HB ALA 8 -10.121 -2.895 3.822 70 3HB ALA 8 3HB ALA 8 -11.549 -2.318 2.966 71 H TYR 9 H TYR 9 -9.246 -1.385 0.806 72 HA TYR 9 HA TYR 9 -11.487 0.032 -0.451 73 1HB TYR 9 2HB TYR 9 -9.468 1.509 -0.430 74 2HB TYR 9 1HB TYR 9 -8.615 0.287 -1.372 75 HD1 TYR 9 1HD TYR 9 -8.174 1.645 -3.281 76 HD2 TYR 9 2HD TYR 9 -12.166 1.170 -1.885 77 HE1 TYR 9 1HE TYR 9 -9.016 2.653 -5.359 78 HE2 TYR 9 2HE TYR 9 -13.017 2.175 -3.960 79 HH TYR 9 HH TYR 9 -11.210 3.937 -6.026 80 H VAL 10 H VAL 10 -12.479 -1.202 -1.910 81 HA VAL 10 HA VAL 10 -11.247 -3.691 -2.722 82 HB VAL 10 HB VAL 10 -13.488 -4.112 -3.814 83 1HG1 VAL 10 1HG1 VAL 10 -12.982 -5.079 -1.674 84 2HG1 VAL 10 2HG1 VAL 10 -14.645 -4.494 -1.652 85 3HG1 VAL 10 3HG1 VAL 10 -13.374 -3.570 -0.852 86 1HG2 VAL 10 1HG2 VAL 10 -14.786 -2.060 -2.178 87 2HG2 VAL 10 2HG2 VAL 10 -15.135 -2.589 -3.822 88 3HG2 VAL 10 3HG2 VAL 10 -13.849 -1.420 -3.527 89 H ALA 11 H ALA 11 -9.901 -3.586 -4.408 90 HA ALA 11 HA ALA 11 -10.784 -2.985 -6.992 91 1HB ALA 11 1HB ALA 11 -8.790 -0.910 -6.350 92 2HB ALA 11 2HB ALA 11 -10.416 -0.650 -5.717 93 3HB ALA 11 3HB ALA 11 -10.168 -0.861 -7.451 94 H GLU 12 H GLU 12 -9.725 -4.682 -7.821 95 HA GLU 12 HA GLU 12 -6.794 -4.685 -7.551 96 1HB GLU 12 2HB GLU 12 -8.486 -7.176 -7.751 97 2HB GLU 12 1HB GLU 12 -6.759 -7.077 -7.431 98 1HG GLU 12 2HG GLU 12 -7.049 -6.640 -5.247 99 2HG GLU 12 1HG GLU 12 -8.486 -5.655 -5.523 100 H ARG 13 H ARG 13 -5.876 -4.337 -9.426 101 HA ARG 13 HA ARG 13 -6.651 -5.782 -11.770 102 1HB ARG 13 2HB ARG 13 -7.873 -4.206 -12.762 103 2HB ARG 13 1HB ARG 13 -7.689 -3.186 -11.344 104 1HG ARG 13 2HG ARG 13 -5.429 -3.118 -13.237 105 2HG ARG 13 1HG ARG 13 -6.954 -2.484 -13.839 106 1HD ARG 13 2HD ARG 13 -6.675 -1.493 -11.241 107 2HD ARG 13 1HD ARG 13 -5.092 -1.314 -12.000 108 HE ARG 13 HE ARG 13 -6.729 -0.348 -13.892 109 1HH1 ARG 13 1HH1 ARG 13 -6.510 0.316 -10.473 110 2HH1 ARG 13 2HH1 ARG 13 -7.071 1.945 -10.627 111 1HH2 ARG 13 1HH2 ARG 13 -7.467 1.791 -14.095 112 2HH2 ARG 13 2HH2 ARG 13 -7.616 2.783 -12.683 113 H GLU 14 H GLU 14 -5.110 -4.979 -13.674 114 HA GLU 14 HA GLU 14 -2.506 -5.529 -12.897 115 1HB GLU 14 2HB GLU 14 -1.837 -4.601 -15.114 116 2HB GLU 14 1HB GLU 14 -3.162 -5.751 -15.203 117 1HG GLU 14 2HG GLU 14 -4.721 -3.769 -15.218 118 2HG GLU 14 1HG GLU 14 -3.291 -2.763 -15.445 119 H ASP 15 H ASP 15 -1.400 -4.407 -11.446 120 HA ASP 15 HA ASP 15 -0.033 -2.698 -10.718 121 1HB ASP 15 2HB ASP 15 -0.620 -1.712 -13.179 122 2HB ASP 15 1HB ASP 15 -1.399 -0.505 -12.153 123 H GLU 16 H GLU 16 -3.059 -3.359 -10.112 124 HA GLU 16 HA GLU 16 -3.373 -1.176 -8.172 125 1HB GLU 16 2HB GLU 16 -5.116 -0.687 -9.602 126 2HB GLU 16 1HB GLU 16 -5.344 -2.360 -10.071 127 1HG GLU 16 2HG GLU 16 -6.944 -2.646 -8.580 128 2HG GLU 16 1HG GLU 16 -5.947 -1.980 -7.289 129 H LEU 17 H LEU 17 -3.854 -1.759 -6.120 130 HA LEU 17 HA LEU 17 -4.439 -4.590 -5.601 131 1HB LEU 17 2HB LEU 17 -3.015 -4.247 -3.477 132 2HB LEU 17 1HB LEU 17 -2.211 -4.544 -5.010 133 HG LEU 17 HG LEU 17 -1.674 -2.185 -5.231 134 1HD1 LEU 17 1HD1 LEU 17 -3.417 -1.942 -2.824 135 2HD1 LEU 17 2HD1 LEU 17 -3.368 -0.953 -4.282 136 3HD1 LEU 17 3HD1 LEU 17 -2.099 -0.798 -3.069 137 1HD2 LEU 17 1HD2 LEU 17 0.100 -3.121 -4.169 138 2HD2 LEU 17 2HD2 LEU 17 -0.875 -3.723 -2.830 139 3HD2 LEU 17 3HD2 LEU 17 -0.414 -2.022 -2.889 140 H SER 18 H SER 18 -5.825 -5.015 -3.900 141 HA SER 18 HA SER 18 -7.543 -2.855 -3.147 142 1HB SER 18 2HB SER 18 -9.047 -4.458 -2.500 143 2HB SER 18 1HB SER 18 -8.043 -5.445 -3.564 144 HG SER 18 HG SER 18 -8.189 -5.411 -0.769 145 H LEU 19 H LEU 19 -7.929 -2.051 -1.060 146 HA LEU 19 HA LEU 19 -5.605 -2.240 0.696 147 1HB LEU 19 2HB LEU 19 -7.786 -0.261 0.282 148 2HB LEU 19 1HB LEU 19 -7.046 -0.342 1.874 149 HG LEU 19 HG LEU 19 -5.960 1.378 0.604 150 1HD1 LEU 19 1HD1 LEU 19 -3.894 0.841 1.285 151 2HD1 LEU 19 2HD1 LEU 19 -3.851 -0.637 0.324 152 3HD1 LEU 19 3HD1 LEU 19 -4.656 -0.628 1.893 153 1HD2 LEU 19 1HD2 LEU 19 -4.698 -0.218 -1.441 154 2HD2 LEU 19 2HD2 LEU 19 -5.624 1.276 -1.591 155 3HD2 LEU 19 3HD2 LEU 19 -6.455 -0.279 -1.584 156 H VAL 20 H VAL 20 -5.758 -2.606 2.918 157 HA VAL 20 HA VAL 20 -7.933 -4.397 3.670 158 HB VAL 20 HB VAL 20 -5.716 -3.805 5.565 159 1HG1 VAL 20 1HG1 VAL 20 -7.469 -6.085 4.835 160 2HG1 VAL 20 2HG1 VAL 20 -7.023 -5.461 6.423 161 3HG1 VAL 20 3HG1 VAL 20 -5.881 -6.447 5.510 162 1HG2 VAL 20 1HG2 VAL 20 -4.399 -3.905 3.597 163 2HG2 VAL 20 2HG2 VAL 20 -5.328 -5.259 2.957 164 3HG2 VAL 20 3HG2 VAL 20 -4.277 -5.492 4.354 165 H LYS 21 H LYS 21 -9.106 -4.144 5.664 166 HA LYS 21 HA LYS 21 -10.021 -1.535 6.126 167 1HB LYS 21 2HB LYS 21 -10.882 -2.674 8.357 168 2HB LYS 21 1HB LYS 21 -11.604 -3.038 6.797 169 1HG LYS 21 2HG LYS 21 -9.336 -4.735 7.637 170 2HG LYS 21 1HG LYS 21 -10.848 -4.915 8.531 171 1HD LYS 21 2HD LYS 21 -11.731 -6.093 6.867 172 2HD LYS 21 1HD LYS 21 -11.422 -4.784 5.731 173 1HE LYS 21 2HE LYS 21 -8.942 -5.991 6.182 174 2HE LYS 21 1HE LYS 21 -10.084 -7.313 6.022 175 1HZ LYS 21 1HZ LYS 21 -9.791 -5.096 4.075 176 2HZ LYS 21 2HZ LYS 21 -10.803 -6.442 3.915 177 3HZ LYS 21 3HZ LYS 21 -9.124 -6.640 3.890 178 H GLY 22 H GLY 22 -7.677 -3.497 7.930 179 1HA GLY 22 2HA GLY 22 -6.441 -1.110 8.936 180 2HA GLY 22 1HA GLY 22 -7.284 -2.019 10.174 181 H SER 23 H SER 23 -5.793 -3.700 7.540 182 HA SER 23 HA SER 23 -4.090 -5.114 9.350 183 1HB SER 23 2HB SER 23 -5.231 -6.179 7.395 184 2HB SER 23 1HB SER 23 -4.116 -5.292 6.358 185 HG SER 23 HG SER 23 -3.293 -7.056 8.413 186 H ARG 24 H ARG 24 -1.785 -5.603 8.049 187 HA ARG 24 HA ARG 24 -0.520 -2.957 7.841 188 1HB ARG 24 2HB ARG 24 0.459 -5.470 9.116 189 2HB ARG 24 1HB ARG 24 1.559 -4.181 8.668 190 1HG ARG 24 2HG ARG 24 -0.789 -3.395 10.270 191 2HG ARG 24 1HG ARG 24 0.419 -4.396 11.086 192 1HD ARG 24 2HD ARG 24 2.096 -2.684 10.024 193 2HD ARG 24 1HD ARG 24 0.669 -1.650 9.947 194 HE ARG 24 HE ARG 24 0.826 -1.353 12.202 195 1HH1 ARG 24 1HH1 ARG 24 2.636 -4.211 11.341 196 2HH1 ARG 24 2HH1 ARG 24 3.282 -4.434 12.933 197 1HH2 ARG 24 1HH2 ARG 24 1.674 -1.644 14.294 198 2HH2 ARG 24 2HH2 ARG 24 2.736 -2.976 14.610 199 H VAL 25 H VAL 25 1.141 -2.676 6.364 200 HA VAL 25 HA VAL 25 1.364 -4.757 4.285 201 HB VAL 25 HB VAL 25 1.477 -1.765 3.871 202 1HG1 VAL 25 1HG1 VAL 25 2.776 -2.814 2.197 203 2HG1 VAL 25 2HG1 VAL 25 1.219 -2.449 1.456 204 3HG1 VAL 25 3HG1 VAL 25 1.583 -4.095 1.973 205 1HG2 VAL 25 1HG2 VAL 25 -0.770 -2.409 4.478 206 2HG2 VAL 25 2HG2 VAL 25 -0.746 -3.717 3.295 207 3HG2 VAL 25 3HG2 VAL 25 -0.708 -2.040 2.754 208 H THR 26 H THR 26 3.422 -4.535 2.952 209 HA THR 26 HA THR 26 5.644 -4.227 4.771 210 HB THR 26 HB THR 26 6.951 -5.330 3.215 211 HG1 THR 26 1HG THR 26 5.397 -3.954 1.401 212 1HG2 THR 26 1HG2 THR 26 4.207 -6.250 2.409 213 2HG2 THR 26 2HG2 THR 26 5.102 -6.820 3.816 214 3HG2 THR 26 3HG2 THR 26 5.718 -7.130 2.193 215 H VAL 27 H VAL 27 7.204 -2.622 4.726 216 HA VAL 27 HA VAL 27 6.434 -0.085 3.954 217 HB VAL 27 HB VAL 27 8.245 -0.488 5.557 218 1HG1 VAL 27 1HG1 VAL 27 9.229 -2.274 3.797 219 2HG1 VAL 27 2HG1 VAL 27 10.176 -1.563 5.105 220 3HG1 VAL 27 3HG1 VAL 27 10.288 -0.901 3.475 221 1HG2 VAL 27 1HG2 VAL 27 8.964 1.200 3.168 222 2HG2 VAL 27 2HG2 VAL 27 9.850 1.237 4.693 223 3HG2 VAL 27 3HG2 VAL 27 8.152 1.710 4.648 224 H MET 28 H MET 28 5.650 -0.054 1.929 225 HA MET 28 HA MET 28 6.780 -0.998 -0.415 226 1HB MET 28 2HB MET 28 5.037 1.448 -0.122 227 2HB MET 28 1HB MET 28 5.217 0.439 -1.556 228 1HG MET 28 2HG MET 28 3.372 -0.575 -0.839 229 2HG MET 28 1HG MET 28 4.435 -1.383 0.309 230 1HE MET 28 1HE MET 28 2.259 2.263 0.321 231 2HE MET 28 2HE MET 28 0.983 1.291 1.054 232 3HE MET 28 3HE MET 28 1.700 0.794 -0.479 233 H GLU 29 H GLU 29 7.070 0.819 -2.262 234 HA GLU 29 HA GLU 29 9.489 2.249 -1.462 235 1HB GLU 29 2HB GLU 29 9.222 2.575 -4.192 236 2HB GLU 29 1HB GLU 29 10.248 1.413 -3.397 237 1HG GLU 29 2HG GLU 29 8.133 -0.102 -3.463 238 2HG GLU 29 1HG GLU 29 7.588 1.032 -4.695 239 H LYS 30 H LYS 30 9.833 4.441 -2.371 240 HA LYS 30 HA LYS 30 7.342 5.905 -2.795 241 1HB LYS 30 2HB LYS 30 8.275 7.728 -1.322 242 2HB LYS 30 1HB LYS 30 7.779 6.261 -0.486 243 1HG LYS 30 2HG LYS 30 10.190 5.532 -0.598 244 2HG LYS 30 1HG LYS 30 10.566 7.177 -1.121 245 1HD LYS 30 2HD LYS 30 9.887 8.103 0.920 246 2HD LYS 30 1HD LYS 30 8.986 6.655 1.377 247 1HE LYS 30 2HE LYS 30 11.977 6.703 1.047 248 2HE LYS 30 1HE LYS 30 11.173 7.019 2.584 249 1HZ LYS 30 1HZ LYS 30 11.955 4.613 1.872 250 2HZ LYS 30 2HZ LYS 30 10.421 4.585 1.160 251 3HZ LYS 30 3HZ LYS 30 10.577 4.862 2.821 252 H CYS 31 H CYS 31 7.717 6.331 -4.920 253 HA CYS 31 HA CYS 31 10.199 7.751 -5.587 254 1HB CYS 31 2HB CYS 31 9.947 5.815 -6.962 255 2HB CYS 31 1HB CYS 31 8.271 6.203 -7.325 256 HG CYS 31 HG CYS 31 10.330 6.864 -9.148 257 H SER 32 H SER 32 10.015 9.603 -7.058 258 HA SER 32 HA SER 32 8.165 11.499 -6.204 259 1HB SER 32 2HB SER 32 10.420 11.765 -7.505 260 2HB SER 32 1HB SER 32 9.392 11.690 -8.935 261 HG SER 32 HG SER 32 8.147 13.415 -7.868 262 H ASP 33 H ASP 33 8.128 9.464 -9.105 263 HA ASP 33 HA ASP 33 5.708 10.570 -10.129 264 1HB ASP 33 2HB ASP 33 7.166 8.002 -10.778 265 2HB ASP 33 1HB ASP 33 5.761 8.595 -11.665 266 H GLY 34 H GLY 34 3.784 9.130 -10.576 267 1HA GLY 34 2HA GLY 34 2.830 8.119 -8.056 268 2HA GLY 34 1HA GLY 34 1.899 8.275 -9.540 269 H TRP 35 H TRP 35 4.164 6.739 -10.924 270 HA TRP 35 HA TRP 35 2.982 4.133 -10.512 271 1HB TRP 35 2HB TRP 35 5.362 4.319 -12.250 272 2HB TRP 35 1HB TRP 35 3.794 3.584 -12.561 273 HD1 TRP 35 HD TRP 35 1.901 6.067 -12.431 274 HE1 TRP 35 1HE TRP 35 2.054 7.926 -14.205 275 HE3 TRP 35 3HE TRP 35 6.667 5.225 -14.080 276 HZ2 TRP 35 2HZ TRP 35 3.945 8.906 -16.058 277 HZ3 TRP 35 3HZ TRP 35 7.573 6.668 -15.856 278 HH2 TRP 35 HH TRP 35 6.239 8.470 -16.823 279 H TRP 36 H TRP 36 3.616 3.092 -8.719 280 HA TRP 36 HA TRP 36 6.331 2.238 -8.481 281 1HB TRP 36 2HB TRP 36 5.698 4.614 -7.217 282 2HB TRP 36 1HB TRP 36 5.567 3.416 -5.936 283 HD1 TRP 36 HD TRP 36 7.655 4.318 -4.699 284 HE1 TRP 36 1HE TRP 36 10.189 4.128 -5.113 285 HE3 TRP 36 3HE TRP 36 7.572 2.716 -9.560 286 HZ2 TRP 36 2HZ TRP 36 11.915 3.391 -7.212 287 HZ3 TRP 36 3HZ TRP 36 9.709 2.292 -10.691 288 HH2 TRP 36 HH TRP 36 11.836 2.622 -9.542 289 H ARG 37 H ARG 37 6.439 0.267 -7.530 290 HA ARG 37 HA ARG 37 3.950 -0.664 -6.290 291 1HB ARG 37 2HB ARG 37 5.809 -1.913 -8.197 292 2HB ARG 37 1HB ARG 37 5.173 -2.975 -6.944 293 1HG ARG 37 2HG ARG 37 2.923 -1.695 -7.725 294 2HG ARG 37 1HG ARG 37 3.825 -1.749 -9.242 295 1HD ARG 37 2HD ARG 37 3.918 -4.094 -9.214 296 2HD ARG 37 1HD ARG 37 3.467 -4.181 -7.516 297 HE ARG 37 HE ARG 37 1.302 -3.047 -8.632 298 1HH1 ARG 37 1HH1 ARG 37 3.151 -5.882 -9.491 299 2HH1 ARG 37 2HH1 ARG 37 1.790 -6.721 -10.155 300 1HH2 ARG 37 1HH2 ARG 37 -0.490 -4.156 -9.498 301 2HH2 ARG 37 2HH2 ARG 37 -0.276 -5.741 -10.162 302 H GLY 38 H GLY 38 3.850 -1.387 -4.364 303 1HA GLY 38 2HA GLY 38 6.325 -1.668 -2.791 304 2HA GLY 38 1HA GLY 38 4.724 -1.338 -2.139 305 H SER 39 H SER 39 5.195 -3.144 -0.660 306 HA SER 39 HA SER 39 4.442 -5.671 -1.936 307 1HB SER 39 2HB SER 39 6.105 -6.400 0.207 308 2HB SER 39 1HB SER 39 6.448 -6.568 -1.516 309 HG SER 39 HG SER 39 7.933 -5.125 -1.237 310 H TYR 40 H TYR 40 3.388 -7.177 -0.645 311 HA TYR 40 HA TYR 40 2.320 -6.182 1.909 312 1HB TYR 40 2HB TYR 40 0.818 -7.287 -0.451 313 2HB TYR 40 1HB TYR 40 0.145 -7.347 1.170 314 HD1 TYR 40 1HD TYR 40 1.749 -4.854 -1.114 315 HD2 TYR 40 2HD TYR 40 -1.307 -5.650 1.737 316 HE1 TYR 40 1HE TYR 40 0.871 -2.580 -1.428 317 HE2 TYR 40 2HE TYR 40 -2.193 -3.378 1.430 318 HH TYR 40 HH TYR 40 -1.481 -1.214 0.656 319 H ASN 41 H ASN 41 1.932 -7.790 3.459 320 HA ASN 41 HA ASN 41 3.516 -10.104 3.309 321 1HB ASN 41 2HB ASN 41 2.082 -10.834 5.334 322 2HB ASN 41 1HB ASN 41 3.060 -9.374 5.488 323 1HD2 ASN 41 1HD2 ASN 41 2.072 -7.401 5.650 324 2HD2 ASN 41 2HD2 ASN 41 0.372 -7.214 5.899 325 H GLY 42 H GLY 42 2.961 -11.162 1.372 326 1HA GLY 42 2HA GLY 42 1.771 -13.394 1.133 327 2HA GLY 42 1HA GLY 42 0.318 -12.430 1.340 328 H GLN 43 H GLN 43 1.763 -10.233 -0.233 329 HA GLN 43 HA GLN 43 2.177 -11.232 -2.850 330 1HB GLN 43 2HB GLN 43 0.149 -10.199 -3.894 331 2HB GLN 43 1HB GLN 43 -0.185 -11.619 -2.905 332 1HG GLN 43 2HG GLN 43 -0.456 -9.586 -1.101 333 2HG GLN 43 1HG GLN 43 -1.065 -8.854 -2.589 334 1HE2 GLN 43 1HE2 GLN 43 -1.855 -10.666 0.058 335 2HE2 GLN 43 2HE2 GLN 43 -3.334 -11.364 -0.512 336 H ILE 44 H ILE 44 2.309 -9.441 -4.474 337 HA ILE 44 HA ILE 44 3.147 -6.938 -3.180 338 HB ILE 44 HB ILE 44 4.404 -8.604 -5.305 339 1HG1 ILE 44 2HG1 ILE 44 6.429 -7.997 -4.085 340 2HG1 ILE 44 1HG1 ILE 44 5.502 -6.849 -3.120 341 1HG2 ILE 44 1HG2 ILE 44 5.757 -6.695 -6.089 342 2HG2 ILE 44 2HG2 ILE 44 4.712 -5.607 -5.180 343 3HG2 ILE 44 3HG2 ILE 44 4.054 -6.542 -6.521 344 1HD1 ILE 44 1HD1 ILE 44 4.507 -8.485 -1.865 345 2HD1 ILE 44 2HD1 ILE 44 6.094 -9.198 -2.168 346 3HD1 ILE 44 3HD1 ILE 44 4.700 -9.712 -3.118 347 H GLY 45 H GLY 45 2.977 -4.978 -4.521 348 1HA GLY 45 2HA GLY 45 1.493 -4.959 -6.938 349 2HA GLY 45 1HA GLY 45 0.415 -4.648 -5.587 350 H TRP 46 H TRP 46 -0.039 -2.575 -6.351 351 HA TRP 46 HA TRP 46 2.132 -0.631 -6.461 352 1HB TRP 46 2HB TRP 46 0.510 -0.627 -8.307 353 2HB TRP 46 1HB TRP 46 -0.802 -0.366 -7.158 354 HD1 TRP 46 HD TRP 46 2.358 1.424 -8.442 355 HE1 TRP 46 1HE TRP 46 1.987 3.970 -8.254 356 HE3 TRP 46 3HE TRP 46 -2.215 1.394 -6.176 357 HZ2 TRP 46 2HZ TRP 46 -0.009 5.726 -7.292 358 HZ3 TRP 46 3HZ TRP 46 -3.293 3.545 -5.659 359 HH2 TRP 46 HH TRP 46 -2.211 5.665 -6.206 360 H PHE 47 H PHE 47 2.505 0.807 -4.903 361 HA PHE 47 HA PHE 47 1.275 0.577 -2.401 362 1HB PHE 47 2HB PHE 47 2.732 2.212 -1.652 363 2HB PHE 47 1HB PHE 47 3.590 1.552 -3.040 364 HD1 PHE 47 1HD PHE 47 3.020 4.458 -1.414 365 HD2 PHE 47 2HD PHE 47 2.665 2.845 -5.335 366 HE1 PHE 47 1HE PHE 47 3.206 6.722 -2.357 367 HE2 PHE 47 2HE PHE 47 2.852 5.107 -6.286 368 HZ PHE 47 HZ PHE 47 3.123 7.049 -4.796 369 HA PRO 48 HA PRO 48 -2.257 3.209 -3.282 370 1HB PRO 48 2HB PRO 48 -3.884 2.187 -1.441 371 2HB PRO 48 1HB PRO 48 -3.448 1.249 -2.874 372 1HG PRO 48 2HG PRO 48 -2.467 1.002 -0.073 373 2HG PRO 48 1HG PRO 48 -2.742 -0.262 -1.283 374 1HD PRO 48 2HD PRO 48 -0.276 0.930 -0.625 375 2HD PRO 48 1HD PRO 48 -0.603 -0.117 -2.018 376 H SER 49 H SER 49 -0.146 4.384 -1.936 377 HA SER 49 HA SER 49 -0.174 5.157 0.612 378 1HB SER 49 2HB SER 49 0.761 6.289 -1.818 379 2HB SER 49 1HB SER 49 0.091 7.589 -0.829 380 HG SER 49 HG SER 49 1.428 6.830 0.888 381 H ASN 50 H ASN 50 -2.692 6.011 -1.654 382 HA ASN 50 HA ASN 50 -3.849 8.233 -0.678 383 1HB ASN 50 2HB ASN 50 -4.835 5.784 -1.945 384 2HB ASN 50 1HB ASN 50 -6.060 6.713 -1.088 385 1HD2 ASN 50 1HD2 ASN 50 -6.484 8.832 -1.734 386 2HD2 ASN 50 2HD2 ASN 50 -6.074 9.382 -3.315 387 H TYR 51 H TYR 51 -3.694 5.147 0.926 388 HA TYR 51 HA TYR 51 -4.548 6.379 3.377 389 1HB TYR 51 2HB TYR 51 -6.135 4.024 2.328 390 2HB TYR 51 1HB TYR 51 -6.386 4.868 3.855 391 HD1 TYR 51 1HD TYR 51 -7.089 4.826 0.311 392 HD2 TYR 51 2HD TYR 51 -7.239 7.221 3.824 393 HE1 TYR 51 1HE TYR 51 -8.673 6.345 -0.799 394 HE2 TYR 51 2HE TYR 51 -8.824 8.746 2.726 395 HH TYR 51 HH TYR 51 -10.354 7.980 -0.244 396 H VAL 52 H VAL 52 -2.162 5.694 3.241 397 HA VAL 52 HA VAL 52 -1.949 3.130 4.615 398 HB VAL 52 HB VAL 52 -0.320 2.228 3.293 399 1HG1 VAL 52 1HG1 VAL 52 -2.258 2.358 1.900 400 2HG1 VAL 52 2HG1 VAL 52 -0.840 2.670 0.897 401 3HG1 VAL 52 3HG1 VAL 52 -1.861 4.008 1.423 402 1HG2 VAL 52 1HG2 VAL 52 0.994 3.750 1.631 403 2HG2 VAL 52 2HG2 VAL 52 1.434 3.737 3.338 404 3HG2 VAL 52 3HG2 VAL 52 0.455 5.054 2.690 405 H LEU 53 H LEU 53 0.136 2.879 5.794 406 HA LEU 53 HA LEU 53 1.259 5.473 6.597 407 1HB LEU 53 2HB LEU 53 -0.166 3.538 8.153 408 2HB LEU 53 1HB LEU 53 1.482 3.632 8.729 409 HG LEU 53 HG LEU 53 0.569 5.217 10.069 410 1HD1 LEU 53 1HD1 LEU 53 1.305 7.274 9.446 411 2HD1 LEU 53 2HD1 LEU 53 0.592 7.167 7.836 412 3HD1 LEU 53 3HD1 LEU 53 2.093 6.312 8.194 413 1HD2 LEU 53 1HD2 LEU 53 -1.669 4.727 8.785 414 2HD2 LEU 53 2HD2 LEU 53 -1.346 6.313 8.080 415 3HD2 LEU 53 3HD2 LEU 53 -1.502 6.140 9.829 416 H GLU 54 H GLU 54 3.359 5.504 6.043 417 HA GLU 54 HA GLU 54 4.823 2.964 5.969 418 1HB GLU 54 2HB GLU 54 4.701 4.246 3.865 419 2HB GLU 54 1HB GLU 54 5.525 5.587 4.651 420 1HG GLU 54 2HG GLU 54 7.103 3.315 5.093 421 2HG GLU 54 1HG GLU 54 6.611 3.262 3.400 422 H GLU 55 H GLU 55 6.376 2.569 7.394 423 HA GLU 55 HA GLU 55 7.367 4.795 9.019 424 1HB GLU 55 2HB GLU 55 7.520 1.895 9.780 425 2HB GLU 55 1HB GLU 55 7.640 3.301 10.829 426 1HG GLU 55 2HG GLU 55 5.152 3.551 9.705 427 2HG GLU 55 1HG GLU 55 5.325 1.816 9.943 428 H VAL 56 H VAL 56 9.361 5.426 8.503 429 HA VAL 56 HA VAL 56 11.106 3.743 6.967 430 HB VAL 56 HB VAL 56 11.750 6.431 8.174 431 1HG1 VAL 56 1HG1 VAL 56 13.102 4.592 6.310 432 2HG1 VAL 56 2HG1 VAL 56 13.777 5.791 7.414 433 3HG1 VAL 56 3HG1 VAL 56 13.118 6.297 5.858 434 1HG2 VAL 56 1HG2 VAL 56 10.724 5.941 5.390 435 2HG2 VAL 56 2HG2 VAL 56 10.940 7.482 6.219 436 3HG2 VAL 56 3HG2 VAL 56 9.668 6.374 6.734 437 H ASP 57 H ASP 57 11.388 2.023 8.521 438 HA ASP 57 HA ASP 57 12.570 2.450 11.056 439 1HB ASP 57 2HB ASP 57 11.294 0.394 10.326 440 2HB ASP 57 1HB ASP 57 12.725 -0.081 9.417 Start of MODEL 8 1 1H ILE 1 1HT ILE 1 11.062 -1.205 8.423 2 2H ILE 1 2HT ILE 1 10.477 -2.813 8.541 3 3H ILE 1 3HT ILE 1 11.321 -2.106 9.858 4 HA ILE 1 HA ILE 1 9.152 -2.006 10.487 5 HB ILE 1 HB ILE 1 9.511 0.657 9.124 6 1HG1 ILE 1 2HG1 ILE 1 10.735 -0.162 11.765 7 2HG1 ILE 1 1HG1 ILE 1 11.630 -0.145 10.247 8 1HG2 ILE 1 1HG2 ILE 1 8.359 1.518 11.077 9 2HG2 ILE 1 2HG2 ILE 1 8.304 -0.097 11.783 10 3HG2 ILE 1 3HG2 ILE 1 7.398 0.253 10.310 11 1HD1 ILE 1 1HD1 ILE 1 10.901 2.310 10.090 12 2HD1 ILE 1 2HD1 ILE 1 12.169 1.878 11.236 13 3HD1 ILE 1 3HD1 ILE 1 10.522 2.154 11.804 14 HA PRO 2 HA PRO 2 6.211 -2.553 7.189 15 1HB PRO 2 2HB PRO 2 4.053 -3.099 8.665 16 2HB PRO 2 1HB PRO 2 5.424 -4.214 8.604 17 1HG PRO 2 2HG PRO 2 4.638 -2.289 10.740 18 2HG PRO 2 1HG PRO 2 5.347 -3.905 10.888 19 1HD PRO 2 2HD PRO 2 6.733 -1.479 11.056 20 2HD PRO 2 1HD PRO 2 7.460 -3.077 10.817 21 H ALA 3 H ALA 3 3.614 -1.886 7.153 22 HA ALA 3 HA ALA 3 3.575 1.007 7.607 23 1HB ALA 3 1HB ALA 3 3.575 1.053 5.345 24 2HB ALA 3 2HB ALA 3 1.846 0.797 5.580 25 3HB ALA 3 3HB ALA 3 2.895 -0.569 5.205 26 H PHE 4 H PHE 4 1.434 1.952 7.946 27 HA PHE 4 HA PHE 4 -0.357 0.080 9.285 28 1HB PHE 4 2HB PHE 4 0.338 2.921 9.812 29 2HB PHE 4 1HB PHE 4 -1.182 2.265 10.407 30 HD1 PHE 4 1HD PHE 4 2.344 1.037 10.240 31 HD2 PHE 4 2HD PHE 4 -1.088 1.784 12.641 32 HE1 PHE 4 1HE PHE 4 3.526 0.138 12.200 33 HE2 PHE 4 2HE PHE 4 0.086 0.887 14.607 34 HZ PHE 4 HZ PHE 4 2.397 0.063 14.389 35 H VAL 5 H VAL 5 -2.166 -0.382 8.217 36 HA VAL 5 HA VAL 5 -3.126 1.382 6.129 37 HB VAL 5 HB VAL 5 -4.347 -1.199 7.106 38 1HG1 VAL 5 1HG1 VAL 5 -4.783 0.514 4.678 39 2HG1 VAL 5 2HG1 VAL 5 -5.969 -0.038 5.862 40 3HG1 VAL 5 3HG1 VAL 5 -5.255 -1.185 4.728 41 1HG2 VAL 5 1HG2 VAL 5 -2.862 -1.189 4.572 42 2HG2 VAL 5 2HG2 VAL 5 -2.916 -2.400 5.853 43 3HG2 VAL 5 3HG2 VAL 5 -1.870 -0.989 6.017 44 H LYS 6 H LYS 6 -5.252 2.266 6.052 45 HA LYS 6 HA LYS 6 -6.379 2.735 8.728 46 1HB LYS 6 2HB LYS 6 -6.841 4.523 6.363 47 2HB LYS 6 1HB LYS 6 -7.044 4.893 8.068 48 1HG LYS 6 2HG LYS 6 -4.831 5.311 8.387 49 2HG LYS 6 1HG LYS 6 -4.321 4.178 7.134 50 1HD LYS 6 2HD LYS 6 -3.835 6.270 6.223 51 2HD LYS 6 1HD LYS 6 -5.380 5.843 5.486 52 1HE LYS 6 2HE LYS 6 -6.562 7.358 6.785 53 2HE LYS 6 1HE LYS 6 -5.306 7.431 8.019 54 1HZ LYS 6 1HZ LYS 6 -4.156 8.981 6.882 55 2HZ LYS 6 2HZ LYS 6 -5.665 9.321 6.197 56 3HZ LYS 6 3HZ LYS 6 -4.557 8.351 5.364 57 H PHE 7 H PHE 7 -7.341 2.378 5.343 58 HA PHE 7 HA PHE 7 -9.799 1.102 6.241 59 1HB PHE 7 2HB PHE 7 -9.728 3.715 5.232 60 2HB PHE 7 1HB PHE 7 -10.348 2.713 3.923 61 HD1 PHE 7 1HD PHE 7 -10.809 2.511 7.616 62 HD2 PHE 7 2HD PHE 7 -12.623 3.034 3.802 63 HE1 PHE 7 1HE PHE 7 -13.028 2.504 8.674 64 HE2 PHE 7 2HE PHE 7 -14.846 3.028 4.853 65 HZ PHE 7 HZ PHE 7 -15.051 2.763 7.294 66 H ALA 8 H ALA 8 -10.868 -0.189 4.620 67 HA ALA 8 HA ALA 8 -8.962 -1.312 2.722 68 1HB ALA 8 1HB ALA 8 -11.030 -3.047 2.672 69 2HB ALA 8 2HB ALA 8 -11.192 -2.394 4.302 70 3HB ALA 8 3HB ALA 8 -9.682 -3.154 3.802 71 H TYR 9 H TYR 9 -9.431 -1.574 0.545 72 HA TYR 9 HA TYR 9 -11.971 -0.481 -0.436 73 1HB TYR 9 2HB TYR 9 -10.004 1.196 -0.546 74 2HB TYR 9 1HB TYR 9 -9.394 0.171 -1.845 75 HD1 TYR 9 1HD TYR 9 -9.807 1.035 -3.934 76 HD2 TYR 9 2HD TYR 9 -12.744 1.553 -0.901 77 HE1 TYR 9 1HE TYR 9 -11.255 2.200 -5.544 78 HE2 TYR 9 2HE TYR 9 -14.200 2.718 -2.500 79 HH TYR 9 HH TYR 9 -13.094 3.739 -5.588 80 H VAL 10 H VAL 10 -12.844 -1.591 -2.105 81 HA VAL 10 HA VAL 10 -11.515 -4.035 -2.896 82 HB VAL 10 HB VAL 10 -13.699 -4.486 -4.095 83 1HG1 VAL 10 1HG1 VAL 10 -13.026 -5.227 -1.743 84 2HG1 VAL 10 2HG1 VAL 10 -14.740 -5.277 -2.153 85 3HG1 VAL 10 3HG1 VAL 10 -14.106 -3.957 -1.169 86 1HG2 VAL 10 1HG2 VAL 10 -14.128 -1.798 -3.712 87 2HG2 VAL 10 2HG2 VAL 10 -15.140 -2.539 -2.471 88 3HG2 VAL 10 3HG2 VAL 10 -15.354 -2.984 -4.164 89 H ALA 11 H ALA 11 -10.107 -3.889 -4.527 90 HA ALA 11 HA ALA 11 -10.906 -3.253 -7.140 91 1HB ALA 11 1HB ALA 11 -10.853 -0.943 -6.232 92 2HB ALA 11 2HB ALA 11 -9.740 -1.201 -7.575 93 3HB ALA 11 3HB ALA 11 -9.128 -1.149 -5.923 94 H GLU 12 H GLU 12 -9.806 -4.894 -8.035 95 HA GLU 12 HA GLU 12 -6.897 -4.960 -7.586 96 1HB GLU 12 2HB GLU 12 -7.036 -7.451 -7.885 97 2HB GLU 12 1HB GLU 12 -7.752 -6.841 -6.400 98 1HG GLU 12 2HG GLU 12 -9.565 -8.001 -6.912 99 2HG GLU 12 1HG GLU 12 -9.848 -6.846 -8.213 100 H ARG 13 H ARG 13 -5.868 -4.506 -9.365 101 HA ARG 13 HA ARG 13 -6.478 -5.785 -11.859 102 1HB ARG 13 2HB ARG 13 -7.910 -4.078 -12.402 103 2HB ARG 13 1HB ARG 13 -7.103 -2.926 -11.350 104 1HG ARG 13 2HG ARG 13 -5.451 -3.691 -13.623 105 2HG ARG 13 1HG ARG 13 -6.996 -2.997 -14.104 106 1HD ARG 13 2HD ARG 13 -5.812 -1.532 -11.926 107 2HD ARG 13 1HD ARG 13 -4.709 -1.633 -13.296 108 HE ARG 13 HE ARG 13 -7.390 -0.875 -14.012 109 1HH1 ARG 13 1HH1 ARG 13 -4.276 0.283 -12.941 110 2HH1 ARG 13 2HH1 ARG 13 -4.512 1.877 -13.572 111 1HH2 ARG 13 1HH2 ARG 13 -7.701 1.221 -14.842 112 2HH2 ARG 13 2HH2 ARG 13 -6.458 2.411 -14.650 113 H GLU 14 H GLU 14 -4.718 -5.378 -13.469 114 HA GLU 14 HA GLU 14 -2.189 -5.538 -12.317 115 1HB GLU 14 2HB GLU 14 -1.295 -5.128 -14.565 116 2HB GLU 14 1HB GLU 14 -2.650 -6.247 -14.626 117 1HG GLU 14 2HG GLU 14 -4.065 -4.155 -15.136 118 2HG GLU 14 1HG GLU 14 -2.520 -3.396 -15.514 119 H ASP 15 H ASP 15 -1.421 -4.022 -10.997 120 HA ASP 15 HA ASP 15 -0.229 -2.038 -10.619 121 1HB ASP 15 2HB ASP 15 -0.897 -1.478 -13.171 122 2HB ASP 15 1HB ASP 15 -1.961 -0.345 -12.337 123 H GLU 16 H GLU 16 -3.299 -2.994 -10.155 124 HA GLU 16 HA GLU 16 -3.874 -0.831 -8.270 125 1HB GLU 16 2HB GLU 16 -5.525 -0.496 -9.900 126 2HB GLU 16 1HB GLU 16 -5.664 -2.212 -10.237 127 1HG GLU 16 2HG GLU 16 -7.305 -2.456 -8.794 128 2HG GLU 16 1HG GLU 16 -6.400 -1.630 -7.527 129 H LEU 17 H LEU 17 -4.146 -1.521 -6.240 130 HA LEU 17 HA LEU 17 -4.697 -4.382 -5.792 131 1HB LEU 17 2HB LEU 17 -3.178 -4.343 -3.895 132 2HB LEU 17 1HB LEU 17 -2.338 -3.883 -5.370 133 HG LEU 17 HG LEU 17 -3.442 -1.781 -3.554 134 1HD1 LEU 17 1HD1 LEU 17 -2.166 -2.822 -1.951 135 2HD1 LEU 17 2HD1 LEU 17 -0.966 -1.766 -2.696 136 3HD1 LEU 17 3HD1 LEU 17 -1.028 -3.473 -3.128 137 1HD2 LEU 17 1HD2 LEU 17 -1.534 -1.957 -5.801 138 2HD2 LEU 17 2HD2 LEU 17 -1.185 -0.787 -4.530 139 3HD2 LEU 17 3HD2 LEU 17 -2.709 -0.704 -5.404 140 H SER 18 H SER 18 -6.067 -4.893 -4.115 141 HA SER 18 HA SER 18 -7.836 -2.839 -3.231 142 1HB SER 18 2HB SER 18 -9.214 -4.536 -2.579 143 2HB SER 18 1HB SER 18 -8.142 -5.498 -3.600 144 HG SER 18 HG SER 18 -8.579 -5.710 -0.972 145 H LEU 19 H LEU 19 -8.132 -2.047 -1.115 146 HA LEU 19 HA LEU 19 -5.692 -2.125 0.484 147 1HB LEU 19 2HB LEU 19 -8.016 -0.370 1.147 148 2HB LEU 19 1HB LEU 19 -6.298 -0.087 1.390 149 HG LEU 19 HG LEU 19 -7.641 -0.086 -1.307 150 1HD1 LEU 19 1HD1 LEU 19 -8.349 1.737 0.343 151 2HD1 LEU 19 2HD1 LEU 19 -7.751 2.248 -1.235 152 3HD1 LEU 19 3HD1 LEU 19 -6.701 2.342 0.179 153 1HD2 LEU 19 1HD2 LEU 19 -5.151 -0.602 -1.085 154 2HD2 LEU 19 2HD2 LEU 19 -4.977 1.079 -0.584 155 3HD2 LEU 19 3HD2 LEU 19 -5.621 0.698 -2.180 156 H VAL 20 H VAL 20 -5.680 -2.465 2.707 157 HA VAL 20 HA VAL 20 -7.704 -4.365 3.617 158 HB VAL 20 HB VAL 20 -5.516 -3.771 5.472 159 1HG1 VAL 20 1HG1 VAL 20 -6.901 -5.643 5.892 160 2HG1 VAL 20 2HG1 VAL 20 -5.348 -6.293 5.365 161 3HG1 VAL 20 3HG1 VAL 20 -6.711 -6.249 4.246 162 1HG2 VAL 20 1HG2 VAL 20 -4.086 -3.480 3.646 163 2HG2 VAL 20 2HG2 VAL 20 -4.915 -4.698 2.679 164 3HG2 VAL 20 3HG2 VAL 20 -3.909 -5.189 4.041 165 H LYS 21 H LYS 21 -8.356 -4.258 5.943 166 HA LYS 21 HA LYS 21 -8.830 -1.458 6.686 167 1HB LYS 21 2HB LYS 21 -10.906 -1.978 7.537 168 2HB LYS 21 1HB LYS 21 -10.814 -2.995 6.110 169 1HG LYS 21 2HG LYS 21 -10.423 -3.861 8.969 170 2HG LYS 21 1HG LYS 21 -11.805 -4.213 7.935 171 1HD LYS 21 2HD LYS 21 -8.973 -5.139 7.450 172 2HD LYS 21 1HD LYS 21 -10.277 -6.127 8.108 173 1HE LYS 21 2HE LYS 21 -11.181 -4.915 5.692 174 2HE LYS 21 1HE LYS 21 -9.615 -5.665 5.392 175 1HZ LYS 21 1HZ LYS 21 -12.147 -6.912 6.194 176 2HZ LYS 21 2HZ LYS 21 -10.698 -7.638 6.676 177 3HZ LYS 21 3HZ LYS 21 -11.023 -7.410 5.033 178 H GLY 22 H GLY 22 -7.397 -0.873 8.100 179 1HA GLY 22 2HA GLY 22 -6.329 -0.692 10.129 180 2HA GLY 22 1HA GLY 22 -7.401 -1.944 10.727 181 H SER 23 H SER 23 -5.558 -2.739 7.946 182 HA SER 23 HA SER 23 -3.945 -4.537 9.567 183 1HB SER 23 2HB SER 23 -5.288 -4.832 7.108 184 2HB SER 23 1HB SER 23 -3.562 -4.941 6.760 185 HG SER 23 HG SER 23 -3.538 -6.468 8.607 186 H ARG 24 H ARG 24 -1.733 -5.024 8.258 187 HA ARG 24 HA ARG 24 -0.453 -2.407 7.866 188 1HB ARG 24 2HB ARG 24 0.760 -4.847 9.106 189 2HB ARG 24 1HB ARG 24 1.584 -3.323 8.849 190 1HG ARG 24 2HG ARG 24 -0.901 -3.058 10.348 191 2HG ARG 24 1HG ARG 24 0.297 -4.087 11.142 192 1HD ARG 24 2HD ARG 24 1.846 -2.013 10.329 193 2HD ARG 24 1HD ARG 24 0.319 -1.188 10.639 194 HE ARG 24 HE ARG 24 2.128 -2.143 12.579 195 1HH1 ARG 24 1HH1 ARG 24 -1.295 -1.924 11.939 196 2HH1 ARG 24 2HH1 ARG 24 -1.735 -1.910 13.613 197 1HH2 ARG 24 1HH2 ARG 24 1.552 -2.126 14.783 198 2HH2 ARG 24 2HH2 ARG 24 -0.119 -2.024 15.228 199 H VAL 25 H VAL 25 1.167 -2.230 6.335 200 HA VAL 25 HA VAL 25 1.329 -4.444 4.394 201 HB VAL 25 HB VAL 25 1.610 -1.543 3.644 202 1HG1 VAL 25 1HG1 VAL 25 2.378 -2.683 1.839 203 2HG1 VAL 25 2HG1 VAL 25 0.655 -2.757 1.468 204 3HG1 VAL 25 3HG1 VAL 25 1.456 -4.136 2.224 205 1HG2 VAL 25 1HG2 VAL 25 -0.556 -1.344 4.263 206 2HG2 VAL 25 2HG2 VAL 25 -0.847 -3.082 4.198 207 3HG2 VAL 25 3HG2 VAL 25 -0.838 -2.133 2.711 208 H THR 26 H THR 26 3.333 -4.294 2.971 209 HA THR 26 HA THR 26 5.617 -3.999 4.699 210 HB THR 26 HB THR 26 6.863 -5.096 3.049 211 HG1 THR 26 1HG THR 26 5.077 -3.855 1.361 212 1HG2 THR 26 1HG2 THR 26 5.771 -6.996 3.310 213 2HG2 THR 26 2HG2 THR 26 4.752 -6.560 1.939 214 3HG2 THR 26 3HG2 THR 26 4.254 -6.138 3.578 215 H VAL 27 H VAL 27 7.218 -2.476 4.595 216 HA VAL 27 HA VAL 27 6.583 0.089 3.806 217 HB VAL 27 HB VAL 27 8.358 -0.402 5.408 218 1HG1 VAL 27 1HG1 VAL 27 10.341 -1.451 4.920 219 2HG1 VAL 27 2HG1 VAL 27 10.266 -1.035 3.208 220 3HG1 VAL 27 3HG1 VAL 27 9.236 -2.314 3.851 221 1HG2 VAL 27 1HG2 VAL 27 9.916 1.037 3.368 222 2HG2 VAL 27 2HG2 VAL 27 9.453 1.523 4.999 223 3HG2 VAL 27 3HG2 VAL 27 8.298 1.668 3.674 224 H MET 28 H MET 28 5.876 0.345 1.800 225 HA MET 28 HA MET 28 6.787 -0.680 -0.579 226 1HB MET 28 2HB MET 28 5.863 1.596 -1.518 227 2HB MET 28 1HB MET 28 4.774 0.405 -0.816 228 1HG MET 28 2HG MET 28 5.755 2.122 1.232 229 2HG MET 28 1HG MET 28 5.136 3.099 -0.094 230 1HE MET 28 1HE MET 28 2.590 -0.398 0.803 231 2HE MET 28 2HE MET 28 3.384 -0.097 2.348 232 3HE MET 28 3HE MET 28 4.348 -0.356 0.898 233 H GLU 29 H GLU 29 7.490 1.106 -2.380 234 HA GLU 29 HA GLU 29 10.212 1.819 -1.606 235 1HB GLU 29 2HB GLU 29 10.784 1.360 -3.748 236 2HB GLU 29 1HB GLU 29 9.226 0.573 -3.827 237 1HG GLU 29 2HG GLU 29 8.235 2.606 -4.747 238 2HG GLU 29 1HG GLU 29 9.807 3.394 -4.690 239 H LYS 30 H LYS 30 11.091 3.895 -2.087 240 HA LYS 30 HA LYS 30 9.113 6.005 -1.874 241 1HB LYS 30 2HB LYS 30 11.511 5.620 -0.610 242 2HB LYS 30 1HB LYS 30 11.945 6.775 -1.862 243 1HG LYS 30 2HG LYS 30 9.806 8.029 -1.000 244 2HG LYS 30 1HG LYS 30 10.121 7.092 0.464 245 1HD LYS 30 2HD LYS 30 12.535 8.309 -0.606 246 2HD LYS 30 1HD LYS 30 11.292 9.506 -0.236 247 1HE LYS 30 2HE LYS 30 11.264 7.754 1.931 248 2HE LYS 30 1HE LYS 30 12.972 7.973 1.550 249 1HZ LYS 30 1HZ LYS 30 12.763 10.309 1.797 250 2HZ LYS 30 2HZ LYS 30 12.034 9.610 3.154 251 3HZ LYS 30 3HZ LYS 30 11.075 10.226 1.904 252 H CYS 31 H CYS 31 8.311 6.341 -3.893 253 HA CYS 31 HA CYS 31 10.201 6.837 -6.071 254 1HB CYS 31 2HB CYS 31 8.491 5.318 -6.729 255 2HB CYS 31 1HB CYS 31 7.225 6.326 -6.043 256 HG CYS 31 HG CYS 31 7.114 7.618 -8.134 257 H SER 32 H SER 32 10.275 8.821 -7.147 258 HA SER 32 HA SER 32 9.163 11.047 -5.628 259 1HB SER 32 2HB SER 32 11.583 10.616 -7.057 260 2HB SER 32 1HB SER 32 10.731 11.944 -7.845 261 HG SER 32 HG SER 32 10.479 12.769 -5.596 262 H ASP 33 H ASP 33 9.188 9.822 -8.968 263 HA ASP 33 HA ASP 33 6.632 11.153 -9.401 264 1HB ASP 33 2HB ASP 33 9.145 12.048 -10.573 265 2HB ASP 33 1HB ASP 33 7.934 11.665 -11.798 266 H GLY 34 H GLY 34 5.409 9.405 -9.881 267 1HA GLY 34 2HA GLY 34 5.110 8.198 -12.185 268 2HA GLY 34 1HA GLY 34 6.512 7.325 -11.576 269 H TRP 35 H TRP 35 5.764 5.378 -11.095 270 HA TRP 35 HA TRP 35 3.306 5.184 -9.510 271 1HB TRP 35 2HB TRP 35 4.588 2.744 -10.629 272 2HB TRP 35 1HB TRP 35 2.889 3.146 -10.427 273 HD1 TRP 35 HD TRP 35 2.907 5.871 -12.131 274 HE1 TRP 35 1HE TRP 35 3.067 5.724 -14.696 275 HE3 TRP 35 3HE TRP 35 4.904 1.185 -12.551 276 HZ2 TRP 35 2HZ TRP 35 3.927 3.867 -16.640 277 HZ3 TRP 35 3HZ TRP 35 5.364 0.297 -14.799 278 HH2 TRP 35 HH TRP 35 4.885 1.610 -16.799 279 H TRP 36 H TRP 36 3.329 4.419 -7.481 280 HA TRP 36 HA TRP 36 5.905 4.007 -6.235 281 1HB TRP 36 2HB TRP 36 3.138 4.584 -5.339 282 2HB TRP 36 1HB TRP 36 4.186 3.750 -4.200 283 HD1 TRP 36 HD TRP 36 6.581 5.099 -3.681 284 HE1 TRP 36 1HE TRP 36 6.939 7.631 -3.366 285 HE3 TRP 36 3HE TRP 36 2.351 6.792 -5.973 286 HZ2 TRP 36 2HZ TRP 36 5.595 10.031 -4.011 287 HZ3 TRP 36 3HZ TRP 36 1.956 9.218 -6.084 288 HH2 TRP 36 HH TRP 36 3.545 10.803 -5.123 289 H ARG 37 H ARG 37 6.740 2.092 -5.802 290 HA ARG 37 HA ARG 37 5.111 -0.299 -6.146 291 1HB ARG 37 2HB ARG 37 7.482 0.114 -7.158 292 2HB ARG 37 1HB ARG 37 8.036 -0.368 -5.559 293 1HG ARG 37 2HG ARG 37 7.987 -2.442 -6.366 294 2HG ARG 37 1HG ARG 37 6.245 -2.332 -6.142 295 1HD ARG 37 2HD ARG 37 5.876 -2.407 -8.337 296 2HD ARG 37 1HD ARG 37 7.058 -1.135 -8.643 297 HE ARG 37 HE ARG 37 8.604 -3.301 -8.200 298 1HH1 ARG 37 1HH1 ARG 37 5.885 -2.719 -10.311 299 2HH1 ARG 37 2HH1 ARG 37 6.422 -3.839 -11.516 300 1HH2 ARG 37 1HH2 ARG 37 9.310 -4.775 -9.783 301 2HH2 ARG 37 2HH2 ARG 37 8.366 -5.008 -11.216 302 H GLY 38 H GLY 38 5.054 -1.951 -4.627 303 1HA GLY 38 2HA GLY 38 6.199 -1.705 -2.024 304 2HA GLY 38 1HA GLY 38 4.499 -1.251 -2.024 305 H SER 39 H SER 39 5.289 -3.357 -0.491 306 HA SER 39 HA SER 39 4.171 -5.632 -1.965 307 1HB SER 39 2HB SER 39 6.456 -5.632 0.001 308 2HB SER 39 1HB SER 39 5.575 -7.100 -0.433 309 HG SER 39 HG SER 39 7.459 -5.705 -1.837 310 H TYR 40 H TYR 40 3.008 -7.190 -0.734 311 HA TYR 40 HA TYR 40 2.149 -6.402 1.930 312 1HB TYR 40 2HB TYR 40 0.511 -5.174 0.785 313 2HB TYR 40 1HB TYR 40 0.369 -6.377 -0.495 314 HD1 TYR 40 1HD TYR 40 -1.202 -8.147 -0.336 315 HD2 TYR 40 2HD TYR 40 -0.482 -5.652 3.034 316 HE1 TYR 40 1HE TYR 40 -3.155 -9.123 0.797 317 HE2 TYR 40 2HE TYR 40 -2.433 -6.621 4.175 318 HH TYR 40 HH TYR 40 -4.708 -8.617 2.555 319 H ASN 41 H ASN 41 1.331 -8.102 3.126 320 HA ASN 41 HA ASN 41 2.190 -10.682 2.445 321 1HB ASN 41 2HB ASN 41 0.411 -11.285 4.348 322 2HB ASN 41 1HB ASN 41 1.963 -10.537 4.721 323 1HD2 ASN 41 1HD2 ASN 41 2.030 -8.347 5.266 324 2HD2 ASN 41 2HD2 ASN 41 0.620 -7.489 5.776 325 H GLY 42 H GLY 42 1.373 -11.116 0.377 326 1HA GLY 42 2HA GLY 42 -0.566 -12.839 -0.048 327 2HA GLY 42 1HA GLY 42 -1.506 -11.359 0.065 328 H GLN 43 H GLN 43 0.709 -9.805 -1.171 329 HA GLN 43 HA GLN 43 1.222 -10.840 -3.749 330 1HB GLN 43 2HB GLN 43 -0.212 -9.065 -4.946 331 2HB GLN 43 1HB GLN 43 -1.008 -10.522 -4.354 332 1HG GLN 43 2HG GLN 43 -1.589 -9.182 -2.280 333 2HG GLN 43 1HG GLN 43 -1.076 -7.757 -3.189 334 1HE2 GLN 43 1HE2 GLN 43 -3.560 -9.973 -2.578 335 2HE2 GLN 43 2HE2 GLN 43 -4.690 -9.400 -3.758 336 H ILE 44 H ILE 44 2.075 -9.133 -5.256 337 HA ILE 44 HA ILE 44 3.201 -6.838 -3.820 338 HB ILE 44 HB ILE 44 4.693 -9.069 -5.093 339 1HG1 ILE 44 2HG1 ILE 44 6.363 -8.051 -3.309 340 2HG1 ILE 44 1HG1 ILE 44 4.886 -7.294 -2.708 341 1HG2 ILE 44 1HG2 ILE 44 6.658 -7.613 -5.510 342 2HG2 ILE 44 2HG2 ILE 44 5.627 -6.205 -5.259 343 3HG2 ILE 44 3HG2 ILE 44 5.312 -7.299 -6.606 344 1HD1 ILE 44 1HD1 ILE 44 5.028 -10.240 -3.206 345 2HD1 ILE 44 2HD1 ILE 44 3.918 -9.338 -2.173 346 3HD1 ILE 44 3HD1 ILE 44 5.607 -9.529 -1.700 347 H GLY 45 H GLY 45 3.973 -5.127 -5.212 348 1HA GLY 45 2HA GLY 45 4.112 -4.756 -7.818 349 2HA GLY 45 1HA GLY 45 2.372 -4.962 -7.658 350 H TRP 46 H TRP 46 1.145 -3.292 -6.957 351 HA TRP 46 HA TRP 46 2.535 -0.739 -6.588 352 1HB TRP 46 2HB TRP 46 0.506 -1.265 -8.265 353 2HB TRP 46 1HB TRP 46 -0.430 -0.844 -6.835 354 HD1 TRP 46 HD TRP 46 2.784 0.814 -8.244 355 HE1 TRP 46 1HE TRP 46 2.318 3.330 -8.508 356 HE3 TRP 46 3HE TRP 46 -2.130 0.883 -6.824 357 HZ2 TRP 46 2HZ TRP 46 0.153 5.110 -8.164 358 HZ3 TRP 46 3HZ TRP 46 -3.325 3.035 -6.820 359 HH2 TRP 46 HH TRP 46 -2.205 5.104 -7.476 360 H PHE 47 H PHE 47 2.105 0.620 -4.845 361 HA PHE 47 HA PHE 47 1.371 -0.748 -2.427 362 1HB PHE 47 2HB PHE 47 2.112 1.195 -1.269 363 2HB PHE 47 1HB PHE 47 3.225 0.951 -2.610 364 HD1 PHE 47 1HD PHE 47 3.000 3.488 -1.111 365 HD2 PHE 47 2HD PHE 47 0.918 2.131 -4.566 366 HE1 PHE 47 1HE PHE 47 2.643 5.819 -1.812 367 HE2 PHE 47 2HE PHE 47 0.551 4.455 -5.266 368 HZ PHE 47 HZ PHE 47 1.417 6.305 -3.891 369 HA PRO 48 HA PRO 48 -2.819 0.755 -2.297 370 1HB PRO 48 2HB PRO 48 -3.499 -0.158 0.117 371 2HB PRO 48 1HB PRO 48 -3.095 -1.271 -1.194 372 1HG PRO 48 2HG PRO 48 -1.512 -0.508 1.195 373 2HG PRO 48 1HG PRO 48 -1.514 -2.025 0.284 374 1HD PRO 48 2HD PRO 48 0.342 0.127 0.066 375 2HD PRO 48 1HD PRO 48 0.262 -1.335 -0.935 376 H SER 49 H SER 49 -0.671 2.641 -1.500 377 HA SER 49 HA SER 49 -0.822 3.991 0.796 378 1HB SER 49 2HB SER 49 -0.031 4.594 -1.849 379 2HB SER 49 1HB SER 49 -0.910 5.989 -1.224 380 HG SER 49 HG SER 49 0.968 6.398 -0.344 381 H ASN 50 H ASN 50 -3.498 3.787 -1.419 382 HA ASN 50 HA ASN 50 -4.932 6.033 -1.105 383 1HB ASN 50 2HB ASN 50 -5.613 3.199 -1.385 384 2HB ASN 50 1HB ASN 50 -6.909 4.206 -0.755 385 1HD2 ASN 50 1HD2 ASN 50 -7.558 6.036 -1.995 386 2HD2 ASN 50 2HD2 ASN 50 -7.384 6.011 -3.709 387 H TYR 51 H TYR 51 -4.291 3.659 1.363 388 HA TYR 51 HA TYR 51 -4.989 5.536 3.400 389 1HB TYR 51 2HB TYR 51 -6.674 3.051 3.034 390 2HB TYR 51 1HB TYR 51 -6.608 3.963 4.542 391 HD1 TYR 51 1HD TYR 51 -8.361 3.545 1.542 392 HD2 TYR 51 2HD TYR 51 -7.079 6.563 4.254 393 HE1 TYR 51 1HE TYR 51 -10.125 5.040 0.704 394 HE2 TYR 51 2HE TYR 51 -8.840 8.066 3.423 395 HH TYR 51 HH TYR 51 -10.182 8.162 0.992 396 H VAL 52 H VAL 52 -2.592 4.844 3.215 397 HA VAL 52 HA VAL 52 -2.185 2.807 5.261 398 HB VAL 52 HB VAL 52 -0.653 1.544 4.133 399 1HG1 VAL 52 1HG1 VAL 52 -2.579 1.015 2.975 400 2HG1 VAL 52 2HG1 VAL 52 -1.447 1.394 1.676 401 3HG1 VAL 52 3HG1 VAL 52 -2.650 2.582 2.172 402 1HG2 VAL 52 1HG2 VAL 52 0.324 2.519 1.868 403 2HG2 VAL 52 2HG2 VAL 52 1.057 2.886 3.429 404 3HG2 VAL 52 3HG2 VAL 52 -0.025 4.052 2.665 405 H LEU 53 H LEU 53 0.003 2.856 6.222 406 HA LEU 53 HA LEU 53 1.150 5.559 6.197 407 1HB LEU 53 2HB LEU 53 -0.019 4.050 8.336 408 2HB LEU 53 1HB LEU 53 1.674 4.328 8.679 409 HG LEU 53 HG LEU 53 0.759 6.162 9.688 410 1HD1 LEU 53 1HD1 LEU 53 0.611 7.571 7.104 411 2HD1 LEU 53 2HD1 LEU 53 2.129 6.741 7.450 412 3HD1 LEU 53 3HD1 LEU 53 1.516 7.963 8.565 413 1HD2 LEU 53 1HD2 LEU 53 -1.533 5.366 8.650 414 2HD2 LEU 53 2HD2 LEU 53 -1.264 6.761 7.601 415 3HD2 LEU 53 3HD2 LEU 53 -1.339 6.976 9.349 416 H GLU 54 H GLU 54 3.189 5.478 5.442 417 HA GLU 54 HA GLU 54 4.681 2.971 5.754 418 1HB GLU 54 2HB GLU 54 4.351 3.737 3.456 419 2HB GLU 54 1HB GLU 54 5.147 5.258 3.839 420 1HG GLU 54 2HG GLU 54 6.924 3.261 4.625 421 2HG GLU 54 1HG GLU 54 6.274 2.733 3.073 422 H GLU 55 H GLU 55 6.440 2.858 6.978 423 HA GLU 55 HA GLU 55 7.360 5.267 8.311 424 1HB GLU 55 2HB GLU 55 8.314 2.471 8.868 425 2HB GLU 55 1HB GLU 55 8.326 3.863 9.946 426 1HG GLU 55 2HG GLU 55 5.648 3.408 9.216 427 2HG GLU 55 1HG GLU 55 6.351 1.843 9.626 428 H VAL 56 H VAL 56 9.386 6.110 8.100 429 HA VAL 56 HA VAL 56 10.889 5.319 5.786 430 HB VAL 56 HB VAL 56 11.761 7.370 7.807 431 1HG1 VAL 56 1HG1 VAL 56 13.476 7.107 6.289 432 2HG1 VAL 56 2HG1 VAL 56 12.543 8.404 5.542 433 3HG1 VAL 56 3HG1 VAL 56 12.382 6.749 4.953 434 1HG2 VAL 56 1HG2 VAL 56 10.518 8.814 5.854 435 2HG2 VAL 56 2HG2 VAL 56 9.817 8.422 7.423 436 3HG2 VAL 56 3HG2 VAL 56 9.443 7.426 6.018 437 H ASP 57 H ASP 57 11.402 3.143 6.619 438 HA ASP 57 HA ASP 57 13.072 2.757 8.862 439 1HB ASP 57 2HB ASP 57 11.667 1.009 7.640 440 2HB ASP 57 1HB ASP 57 12.964 0.947 6.451 Start of MODEL 9 1 1H ILE 1 1HT ILE 1 10.758 -1.380 8.845 2 2H ILE 1 2HT ILE 1 10.131 -2.977 8.856 3 3H ILE 1 3HT ILE 1 10.866 -2.332 10.267 4 HA ILE 1 HA ILE 1 8.619 -2.242 10.653 5 HB ILE 1 HB ILE 1 9.254 0.506 9.595 6 1HG1 ILE 1 2HG1 ILE 1 10.108 -0.643 12.261 7 2HG1 ILE 1 1HG1 ILE 1 11.183 -0.468 10.878 8 1HG2 ILE 1 1HG2 ILE 1 7.861 -0.117 12.162 9 2HG2 ILE 1 2HG2 ILE 1 6.980 -0.211 10.637 10 3HG2 ILE 1 3HG2 ILE 1 7.730 1.307 11.132 11 1HD1 ILE 1 1HD1 ILE 1 10.465 2.021 10.966 12 2HD1 ILE 1 2HD1 ILE 1 11.655 1.410 12.116 13 3HD1 ILE 1 3HD1 ILE 1 9.979 1.632 12.616 14 HA PRO 2 HA PRO 2 6.151 -2.398 6.937 15 1HB PRO 2 2HB PRO 2 3.880 -3.277 8.030 16 2HB PRO 2 1HB PRO 2 5.311 -4.309 7.947 17 1HG PRO 2 2HG PRO 2 4.189 -2.809 10.267 18 2HG PRO 2 1HG PRO 2 4.952 -4.407 10.225 19 1HD PRO 2 2HD PRO 2 6.198 -2.019 10.969 20 2HD PRO 2 1HD PRO 2 7.024 -3.524 10.527 21 H ALA 3 H ALA 3 3.543 -1.846 6.713 22 HA ALA 3 HA ALA 3 3.339 0.969 7.496 23 1HB ALA 3 1HB ALA 3 1.701 0.995 5.470 24 2HB ALA 3 2HB ALA 3 2.564 -0.471 5.002 25 3HB ALA 3 3HB ALA 3 3.443 1.046 5.198 26 H PHE 4 H PHE 4 1.209 1.796 7.975 27 HA PHE 4 HA PHE 4 -0.555 -0.257 9.073 28 1HB PHE 4 2HB PHE 4 0.022 2.553 9.896 29 2HB PHE 4 1HB PHE 4 -1.449 1.749 10.425 30 HD1 PHE 4 1HD PHE 4 2.068 0.544 10.081 31 HD2 PHE 4 2HD PHE 4 -1.235 1.277 12.662 32 HE1 PHE 4 1HE PHE 4 3.312 -0.460 11.950 33 HE2 PHE 4 2HE PHE 4 0.003 0.274 14.537 34 HZ PHE 4 HZ PHE 4 2.280 -0.594 14.182 35 H VAL 5 H VAL 5 -2.349 -0.610 7.903 36 HA VAL 5 HA VAL 5 -3.238 1.280 5.924 37 HB VAL 5 HB VAL 5 -4.553 -1.277 6.861 38 1HG1 VAL 5 1HG1 VAL 5 -5.073 0.538 4.522 39 2HG1 VAL 5 2HG1 VAL 5 -6.205 -0.011 5.759 40 3HG1 VAL 5 3HG1 VAL 5 -5.602 -1.145 4.551 41 1HG2 VAL 5 1HG2 VAL 5 -3.180 -1.162 4.256 42 2HG2 VAL 5 2HG2 VAL 5 -3.260 -2.464 5.444 43 3HG2 VAL 5 3HG2 VAL 5 -2.138 -1.123 5.679 44 H LYS 6 H LYS 6 -5.445 2.117 5.823 45 HA LYS 6 HA LYS 6 -6.495 2.718 8.505 46 1HB LYS 6 2HB LYS 6 -6.771 4.427 6.039 47 2HB LYS 6 1HB LYS 6 -7.242 4.854 7.678 48 1HG LYS 6 2HG LYS 6 -5.064 5.186 8.361 49 2HG LYS 6 1HG LYS 6 -4.399 4.167 7.084 50 1HD LYS 6 2HD LYS 6 -3.877 6.413 6.514 51 2HD LYS 6 1HD LYS 6 -5.181 5.903 5.438 52 1HE LYS 6 2HE LYS 6 -6.603 7.427 6.259 53 2HE LYS 6 1HE LYS 6 -6.125 7.107 7.925 54 1HZ LYS 6 1HZ LYS 6 -5.309 9.189 7.729 55 2HZ LYS 6 2HZ LYS 6 -5.112 9.095 6.051 56 3HZ LYS 6 3HZ LYS 6 -3.974 8.380 7.078 57 H PHE 7 H PHE 7 -7.769 2.954 5.210 58 HA PHE 7 HA PHE 7 -10.190 1.599 6.146 59 1HB PHE 7 2HB PHE 7 -9.804 4.070 4.671 60 2HB PHE 7 1HB PHE 7 -10.888 2.966 3.825 61 HD1 PHE 7 1HD PHE 7 -12.288 1.648 6.015 62 HD2 PHE 7 2HD PHE 7 -11.141 5.721 5.568 63 HE1 PHE 7 1HE PHE 7 -14.132 2.325 7.497 64 HE2 PHE 7 2HE PHE 7 -12.982 6.407 7.049 65 HZ PHE 7 HZ PHE 7 -14.480 4.708 8.016 66 H ALA 8 H ALA 8 -11.357 0.297 4.604 67 HA ALA 8 HA ALA 8 -9.552 -1.118 2.813 68 1HB ALA 8 1HB ALA 8 -12.323 -1.978 3.583 69 2HB ALA 8 2HB ALA 8 -10.912 -2.309 4.587 70 3HB ALA 8 3HB ALA 8 -11.006 -2.967 2.954 71 H TYR 9 H TYR 9 -9.879 -1.307 0.647 72 HA TYR 9 HA TYR 9 -12.280 -0.094 -0.516 73 1HB TYR 9 2HB TYR 9 -10.128 1.414 -0.472 74 2HB TYR 9 1HB TYR 9 -9.624 0.391 -1.819 75 HD1 TYR 9 1HD TYR 9 -9.855 1.550 -3.800 76 HD2 TYR 9 2HD TYR 9 -12.913 1.898 -0.861 77 HE1 TYR 9 1HE TYR 9 -11.176 2.932 -5.347 78 HE2 TYR 9 2HE TYR 9 -14.242 3.280 -2.400 79 HH TYR 9 HH TYR 9 -13.437 3.627 -5.724 80 H VAL 10 H VAL 10 -13.140 -1.263 -2.133 81 HA VAL 10 HA VAL 10 -11.796 -3.708 -2.907 82 HB VAL 10 HB VAL 10 -13.982 -4.108 -4.185 83 1HG1 VAL 10 1HG1 VAL 10 -15.218 -4.526 -1.953 84 2HG1 VAL 10 2HG1 VAL 10 -13.720 -3.967 -1.207 85 3HG1 VAL 10 3HG1 VAL 10 -13.705 -5.378 -2.266 86 1HG2 VAL 10 1HG2 VAL 10 -14.628 -1.669 -4.098 87 2HG2 VAL 10 2HG2 VAL 10 -15.008 -1.918 -2.394 88 3HG2 VAL 10 3HG2 VAL 10 -15.887 -2.813 -3.633 89 H ALA 11 H ALA 11 -10.361 -3.542 -4.518 90 HA ALA 11 HA ALA 11 -11.172 -2.782 -7.124 91 1HB ALA 11 1HB ALA 11 -10.181 -0.739 -7.469 92 2HB ALA 11 2HB ALA 11 -9.058 -0.937 -6.124 93 3HB ALA 11 3HB ALA 11 -10.752 -0.560 -5.811 94 H GLU 12 H GLU 12 -10.293 -4.718 -7.786 95 HA GLU 12 HA GLU 12 -7.363 -4.928 -7.534 96 1HB GLU 12 2HB GLU 12 -9.265 -7.229 -7.973 97 2HB GLU 12 1HB GLU 12 -7.551 -7.316 -7.587 98 1HG GLU 12 2HG GLU 12 -7.899 -7.051 -5.391 99 2HG GLU 12 1HG GLU 12 -9.172 -5.856 -5.630 100 H ARG 13 H ARG 13 -6.355 -4.518 -9.340 101 HA ARG 13 HA ARG 13 -7.144 -5.699 -11.832 102 1HB ARG 13 2HB ARG 13 -8.464 -3.848 -12.243 103 2HB ARG 13 1HB ARG 13 -7.459 -2.787 -11.268 104 1HG ARG 13 2HG ARG 13 -6.080 -3.749 -13.648 105 2HG ARG 13 1HG ARG 13 -7.563 -2.874 -14.018 106 1HD ARG 13 2HD ARG 13 -6.075 -1.545 -11.951 107 2HD ARG 13 1HD ARG 13 -5.067 -1.804 -13.371 108 HE ARG 13 HE ARG 13 -7.617 -0.759 -14.079 109 1HH1 ARG 13 1HH1 ARG 13 -4.507 0.142 -12.779 110 2HH1 ARG 13 2HH1 ARG 13 -4.613 1.781 -13.324 111 1HH2 ARG 13 1HH2 ARG 13 -7.759 1.399 -14.797 112 2HH2 ARG 13 2HH2 ARG 13 -6.461 2.496 -14.469 113 H GLU 14 H GLU 14 -5.406 -5.503 -13.453 114 HA GLU 14 HA GLU 14 -2.861 -5.826 -12.375 115 1HB GLU 14 2HB GLU 14 -2.019 -5.551 -14.667 116 2HB GLU 14 1HB GLU 14 -3.452 -6.567 -14.641 117 1HG GLU 14 2HG GLU 14 -4.710 -4.353 -15.146 118 2HG GLU 14 1HG GLU 14 -3.124 -3.789 -15.669 119 H ASP 15 H ASP 15 -1.940 -4.342 -11.128 120 HA ASP 15 HA ASP 15 -0.519 -2.449 -10.970 121 1HB ASP 15 2HB ASP 15 -1.385 -1.796 -13.387 122 2HB ASP 15 1HB ASP 15 -2.437 -0.716 -12.472 123 H GLU 16 H GLU 16 -3.864 -2.889 -10.476 124 HA GLU 16 HA GLU 16 -3.874 -0.875 -8.335 125 1HB GLU 16 2HB GLU 16 -5.608 -0.251 -9.760 126 2HB GLU 16 1HB GLU 16 -6.013 -1.906 -10.160 127 1HG GLU 16 2HG GLU 16 -7.537 -2.014 -8.572 128 2HG GLU 16 1HG GLU 16 -6.422 -1.372 -7.368 129 H LEU 17 H LEU 17 -4.451 -1.484 -6.294 130 HA LEU 17 HA LEU 17 -5.090 -4.320 -5.861 131 1HB LEU 17 2HB LEU 17 -3.698 -4.043 -3.704 132 2HB LEU 17 1HB LEU 17 -2.873 -4.312 -5.232 133 HG LEU 17 HG LEU 17 -2.240 -2.006 -5.388 134 1HD1 LEU 17 1HD1 LEU 17 -4.083 -1.640 -3.051 135 2HD1 LEU 17 2HD1 LEU 17 -4.072 -0.793 -4.598 136 3HD1 LEU 17 3HD1 LEU 17 -2.801 -0.485 -3.418 137 1HD2 LEU 17 1HD2 LEU 17 -0.577 -2.935 -4.154 138 2HD2 LEU 17 2HD2 LEU 17 -1.671 -3.484 -2.885 139 3HD2 LEU 17 3HD2 LEU 17 -1.182 -1.791 -2.956 140 H SER 18 H SER 18 -6.363 -4.797 -4.051 141 HA SER 18 HA SER 18 -8.194 -2.720 -3.324 142 1HB SER 18 2HB SER 18 -9.595 -4.392 -2.623 143 2HB SER 18 1HB SER 18 -8.551 -5.344 -3.682 144 HG SER 18 HG SER 18 -7.854 -6.394 -2.001 145 H LEU 19 H LEU 19 -8.620 -1.919 -1.243 146 HA LEU 19 HA LEU 19 -6.271 -1.903 0.493 147 1HB LEU 19 2HB LEU 19 -8.529 -0.085 -0.040 148 2HB LEU 19 1HB LEU 19 -8.020 -0.157 1.640 149 HG LEU 19 HG LEU 19 -6.941 1.677 0.429 150 1HD1 LEU 19 1HD1 LEU 19 -4.841 1.375 1.353 151 2HD1 LEU 19 2HD1 LEU 19 -4.805 -0.347 0.969 152 3HD1 LEU 19 3HD1 LEU 19 -5.829 0.246 2.278 153 1HD2 LEU 19 1HD2 LEU 19 -5.455 -0.375 -1.179 154 2HD2 LEU 19 2HD2 LEU 19 -5.542 1.370 -1.419 155 3HD2 LEU 19 3HD2 LEU 19 -6.946 0.362 -1.767 156 H VAL 20 H VAL 20 -6.365 -2.330 2.713 157 HA VAL 20 HA VAL 20 -8.475 -4.209 3.459 158 HB VAL 20 HB VAL 20 -6.118 -3.668 5.215 159 1HG1 VAL 20 1HG1 VAL 20 -7.407 -5.229 6.248 160 2HG1 VAL 20 2HG1 VAL 20 -6.444 -6.307 5.239 161 3HG1 VAL 20 3HG1 VAL 20 -8.071 -5.846 4.735 162 1HG2 VAL 20 1HG2 VAL 20 -5.026 -3.885 3.107 163 2HG2 VAL 20 2HG2 VAL 20 -6.052 -5.245 2.648 164 3HG2 VAL 20 3HG2 VAL 20 -4.866 -5.432 3.940 165 H LYS 21 H LYS 21 -9.220 -4.175 5.744 166 HA LYS 21 HA LYS 21 -10.363 -1.659 6.354 167 1HB LYS 21 2HB LYS 21 -11.038 -2.866 8.516 168 2HB LYS 21 1HB LYS 21 -11.652 -3.504 6.998 169 1HG LYS 21 2HG LYS 21 -9.167 -4.768 7.571 170 2HG LYS 21 1HG LYS 21 -10.183 -4.837 9.011 171 1HD LYS 21 2HD LYS 21 -10.511 -6.788 7.563 172 2HD LYS 21 1HD LYS 21 -11.986 -5.833 7.720 173 1HE LYS 21 2HE LYS 21 -11.176 -4.689 5.540 174 2HE LYS 21 1HE LYS 21 -10.141 -6.106 5.376 175 1HZ LYS 21 1HZ LYS 21 -12.106 -6.582 4.206 176 2HZ LYS 21 2HZ LYS 21 -13.100 -6.017 5.453 177 3HZ LYS 21 3HZ LYS 21 -12.229 -7.454 5.650 178 H GLY 22 H GLY 22 -7.581 -3.410 7.638 179 1HA GLY 22 2HA GLY 22 -6.369 -1.053 8.606 180 2HA GLY 22 1HA GLY 22 -7.142 -1.892 9.935 181 H SER 23 H SER 23 -5.682 -3.532 7.212 182 HA SER 23 HA SER 23 -3.992 -5.028 8.980 183 1HB SER 23 2HB SER 23 -5.011 -5.350 6.333 184 2HB SER 23 1HB SER 23 -3.259 -5.540 6.296 185 HG SER 23 HG SER 23 -4.888 -6.857 8.196 186 H ARG 24 H ARG 24 -1.651 -5.452 7.849 187 HA ARG 24 HA ARG 24 -0.432 -2.794 7.563 188 1HB ARG 24 2HB ARG 24 0.787 -5.184 8.882 189 2HB ARG 24 1HB ARG 24 1.532 -3.608 8.729 190 1HG ARG 24 2HG ARG 24 -1.076 -3.478 9.990 191 2HG ARG 24 1HG ARG 24 0.044 -4.533 10.863 192 1HD ARG 24 2HD ARG 24 1.699 -2.511 10.443 193 2HD ARG 24 1HD ARG 24 0.190 -1.605 10.347 194 HE ARG 24 HE ARG 24 -0.088 -1.886 12.608 195 1HH1 ARG 24 1HH1 ARG 24 2.409 -4.052 11.486 196 2HH1 ARG 24 2HH1 ARG 24 2.905 -4.507 13.081 197 1HH2 ARG 24 1HH2 ARG 24 0.564 -2.481 14.706 198 2HH2 ARG 24 2HH2 ARG 24 1.857 -3.615 14.910 199 H VAL 25 H VAL 25 1.320 -2.565 6.177 200 HA VAL 25 HA VAL 25 1.663 -4.756 4.232 201 HB VAL 25 HB VAL 25 1.816 -1.790 3.671 202 1HG1 VAL 25 1HG1 VAL 25 1.605 -2.680 1.276 203 2HG1 VAL 25 2HG1 VAL 25 2.088 -4.234 1.955 204 3HG1 VAL 25 3HG1 VAL 25 3.162 -2.842 2.083 205 1HG2 VAL 25 1HG2 VAL 25 -0.388 -3.758 3.065 206 2HG2 VAL 25 2HG2 VAL 25 -0.319 -2.090 2.494 207 3HG2 VAL 25 3HG2 VAL 25 -0.461 -2.427 4.219 208 H THR 26 H THR 26 3.738 -4.611 2.969 209 HA THR 26 HA THR 26 5.946 -4.303 4.800 210 HB THR 26 HB THR 26 7.228 -5.498 3.285 211 HG1 THR 26 1HG THR 26 6.807 -3.985 1.569 212 1HG2 THR 26 1HG2 THR 26 5.987 -7.318 3.439 213 2HG2 THR 26 2HG2 THR 26 5.269 -6.868 1.894 214 3HG2 THR 26 3HG2 THR 26 4.490 -6.387 3.400 215 H VAL 27 H VAL 27 7.579 -2.773 4.709 216 HA VAL 27 HA VAL 27 6.931 -0.218 3.893 217 HB VAL 27 HB VAL 27 8.747 -0.675 5.477 218 1HG1 VAL 27 1HG1 VAL 27 10.666 -1.793 5.000 219 2HG1 VAL 27 2HG1 VAL 27 10.683 -1.271 3.316 220 3HG1 VAL 27 3HG1 VAL 27 9.608 -2.574 3.823 221 1HG2 VAL 27 1HG2 VAL 27 10.280 1.041 4.756 222 2HG2 VAL 27 2HG2 VAL 27 8.643 1.489 4.277 223 3HG2 VAL 27 3HG2 VAL 27 9.767 0.845 3.080 224 H MET 28 H MET 28 6.204 0.026 1.929 225 HA MET 28 HA MET 28 6.915 -1.093 -0.444 226 1HB MET 28 2HB MET 28 6.165 1.803 -0.397 227 2HB MET 28 1HB MET 28 5.630 0.531 -1.489 228 1HG MET 28 2HG MET 28 4.623 -0.384 0.833 229 2HG MET 28 1HG MET 28 4.574 1.352 1.130 230 1HE MET 28 1HE MET 28 2.945 -1.412 0.440 231 2HE MET 28 2HE MET 28 2.271 -1.446 -1.189 232 3HE MET 28 3HE MET 28 1.351 -0.723 0.130 233 H GLU 29 H GLU 29 7.612 0.498 -2.351 234 HA GLU 29 HA GLU 29 10.433 1.064 -1.856 235 1HB GLU 29 2HB GLU 29 10.796 0.454 -4.020 236 2HB GLU 29 1HB GLU 29 9.245 -0.330 -3.838 237 1HG GLU 29 2HG GLU 29 8.121 1.503 -4.904 238 2HG GLU 29 1HG GLU 29 9.622 2.420 -4.987 239 H LYS 30 H LYS 30 11.393 2.990 -2.920 240 HA LYS 30 HA LYS 30 9.815 5.317 -2.355 241 1HB LYS 30 2HB LYS 30 12.641 4.884 -3.279 242 2HB LYS 30 1HB LYS 30 11.929 6.491 -3.274 243 1HG LYS 30 2HG LYS 30 12.481 4.691 -0.937 244 2HG LYS 30 1HG LYS 30 13.111 6.308 -1.261 245 1HD LYS 30 2HD LYS 30 11.516 6.907 0.224 246 2HD LYS 30 1HD LYS 30 10.486 6.857 -1.207 247 1HE LYS 30 2HE LYS 30 9.242 5.570 0.212 248 2HE LYS 30 1HE LYS 30 10.249 4.321 -0.520 249 1HZ LYS 30 1HZ LYS 30 11.015 5.678 1.995 250 2HZ LYS 30 2HZ LYS 30 11.611 4.225 1.365 251 3HZ LYS 30 3HZ LYS 30 10.038 4.296 1.984 252 H CYS 31 H CYS 31 9.068 6.841 -3.855 253 HA CYS 31 HA CYS 31 8.884 5.801 -6.592 254 1HB CYS 31 2HB CYS 31 6.697 6.104 -5.883 255 2HB CYS 31 1HB CYS 31 7.095 7.502 -4.898 256 HG CYS 31 HG CYS 31 5.900 7.681 -7.557 257 H SER 32 H SER 32 9.339 7.116 -8.370 258 HA SER 32 HA SER 32 11.094 9.371 -7.770 259 1HB SER 32 2HB SER 32 11.797 7.548 -9.369 260 2HB SER 32 1HB SER 32 10.538 8.114 -10.465 261 HG SER 32 HG SER 32 11.641 10.236 -10.225 262 H ASP 33 H ASP 33 8.208 8.589 -9.692 263 HA ASP 33 HA ASP 33 7.332 11.347 -9.403 264 1HB ASP 33 2HB ASP 33 7.693 10.026 -12.096 265 2HB ASP 33 1HB ASP 33 6.791 11.519 -11.836 266 H GLY 34 H GLY 34 5.550 10.764 -8.214 267 1HA GLY 34 2HA GLY 34 3.376 10.132 -7.874 268 2HA GLY 34 1HA GLY 34 3.247 9.967 -9.615 269 H TRP 35 H TRP 35 5.067 7.788 -9.997 270 HA TRP 35 HA TRP 35 3.319 5.668 -9.184 271 1HB TRP 35 2HB TRP 35 4.544 4.271 -10.649 272 2HB TRP 35 1HB TRP 35 4.476 5.846 -11.431 273 HD1 TRP 35 HD TRP 35 6.858 7.405 -10.725 274 HE1 TRP 35 1HE TRP 35 9.283 6.575 -10.949 275 HE3 TRP 35 3HE TRP 35 5.995 2.365 -10.742 276 HZ2 TRP 35 2HZ TRP 35 10.650 4.112 -11.110 277 HZ3 TRP 35 3HZ TRP 35 7.917 0.840 -10.933 278 HH2 TRP 35 HH TRP 35 10.196 1.697 -11.114 279 H TRP 36 H TRP 36 3.397 4.766 -7.275 280 HA TRP 36 HA TRP 36 5.996 4.343 -5.983 281 1HB TRP 36 2HB TRP 36 3.606 5.584 -5.008 282 2HB TRP 36 1HB TRP 36 3.892 4.112 -4.089 283 HD1 TRP 36 HD TRP 36 7.052 4.230 -3.929 284 HE1 TRP 36 1HE TRP 36 8.171 5.991 -2.414 285 HE3 TRP 36 3HE TRP 36 3.225 7.602 -3.642 286 HZ2 TRP 36 2HZ TRP 36 7.518 8.483 -1.266 287 HZ3 TRP 36 3HZ TRP 36 3.553 9.650 -2.319 288 HH2 TRP 36 HH TRP 36 5.656 10.080 -1.156 289 H ARG 37 H ARG 37 6.581 2.283 -5.682 290 HA ARG 37 HA ARG 37 4.531 0.203 -6.005 291 1HB ARG 37 2HB ARG 37 6.780 0.369 -7.410 292 2HB ARG 37 1HB ARG 37 7.425 -0.473 -6.007 293 1HG ARG 37 2HG ARG 37 6.766 -2.348 -6.990 294 2HG ARG 37 1HG ARG 37 5.124 -1.868 -6.561 295 1HD ARG 37 2HD ARG 37 4.593 -1.682 -8.704 296 2HD ARG 37 1HD ARG 37 5.875 -0.495 -8.940 297 HE ARG 37 HE ARG 37 7.121 -2.111 -9.957 298 1HH1 ARG 37 1HH1 ARG 37 4.600 -3.657 -8.106 299 2HH1 ARG 37 2HH1 ARG 37 4.966 -5.243 -8.696 300 1HH2 ARG 37 1HH2 ARG 37 7.601 -4.193 -10.740 301 2HH2 ARG 37 2HH2 ARG 37 6.672 -5.548 -10.193 302 H GLY 38 H GLY 38 4.462 -1.562 -4.573 303 1HA GLY 38 2HA GLY 38 6.069 -1.394 -2.141 304 2HA GLY 38 1HA GLY 38 4.332 -1.190 -1.953 305 H SER 39 H SER 39 5.431 -3.166 -0.555 306 HA SER 39 HA SER 39 4.546 -5.563 -1.992 307 1HB SER 39 2HB SER 39 6.959 -5.428 -0.172 308 2HB SER 39 1HB SER 39 6.332 -6.883 -0.953 309 HG SER 39 HG SER 39 7.191 -4.576 -2.361 310 H TYR 40 H TYR 40 3.832 -7.314 -0.698 311 HA TYR 40 HA TYR 40 3.060 -6.637 2.049 312 1HB TYR 40 2HB TYR 40 1.166 -7.903 0.068 313 2HB TYR 40 1HB TYR 40 0.802 -7.394 1.711 314 HD1 TYR 40 1HD TYR 40 2.175 -5.900 -1.429 315 HD2 TYR 40 2HD TYR 40 -0.405 -5.447 1.923 316 HE1 TYR 40 1HE TYR 40 1.468 -3.710 -2.280 317 HE2 TYR 40 2HE TYR 40 -1.121 -3.252 1.079 318 HH TYR 40 HH TYR 40 0.394 -1.787 -1.739 319 H ASN 41 H ASN 41 2.923 -8.406 3.435 320 HA ASN 41 HA ASN 41 4.517 -10.635 2.807 321 1HB ASN 41 2HB ASN 41 3.377 -11.618 4.928 322 2HB ASN 41 1HB ASN 41 4.393 -10.187 5.095 323 1HD2 ASN 41 1HD2 ASN 41 3.455 -8.213 5.551 324 2HD2 ASN 41 2HD2 ASN 41 1.824 -8.063 6.096 325 H GLY 42 H GLY 42 3.689 -11.490 0.860 326 1HA GLY 42 2HA GLY 42 2.545 -13.706 0.502 327 2HA GLY 42 1HA GLY 42 1.121 -12.886 1.122 328 H GLN 43 H GLN 43 2.329 -10.434 -0.461 329 HA GLN 43 HA GLN 43 2.069 -11.147 -3.194 330 1HB GLN 43 2HB GLN 43 -0.058 -10.082 -3.702 331 2HB GLN 43 1HB GLN 43 -0.289 -11.393 -2.547 332 1HG GLN 43 2HG GLN 43 -0.048 -9.425 -0.804 333 2HG GLN 43 1HG GLN 43 -0.580 -8.460 -2.184 334 1HE2 GLN 43 1HE2 GLN 43 -1.476 -10.612 0.288 335 2HE2 GLN 43 2HE2 GLN 43 -3.156 -10.741 -0.108 336 H ILE 44 H ILE 44 2.373 -9.389 -4.628 337 HA ILE 44 HA ILE 44 3.184 -6.870 -3.343 338 HB ILE 44 HB ILE 44 4.642 -8.573 -5.320 339 1HG1 ILE 44 2HG1 ILE 44 6.557 -7.833 -3.907 340 2HG1 ILE 44 1HG1 ILE 44 5.414 -6.894 -2.947 341 1HG2 ILE 44 1HG2 ILE 44 6.072 -6.661 -5.949 342 2HG2 ILE 44 2HG2 ILE 44 4.952 -5.577 -5.127 343 3HG2 ILE 44 3HG2 ILE 44 4.420 -6.489 -6.540 344 1HD1 ILE 44 1HD1 ILE 44 4.774 -9.746 -3.276 345 2HD1 ILE 44 2HD1 ILE 44 4.630 -8.701 -1.862 346 3HD1 ILE 44 3HD1 ILE 44 6.199 -9.370 -2.309 347 H GLY 45 H GLY 45 3.134 -4.969 -4.761 348 1HA GLY 45 2HA GLY 45 2.017 -4.958 -7.331 349 2HA GLY 45 1HA GLY 45 0.689 -4.804 -6.189 350 H TRP 46 H TRP 46 0.099 -2.750 -6.721 351 HA TRP 46 HA TRP 46 2.100 -0.618 -6.564 352 1HB TRP 46 2HB TRP 46 0.118 -1.012 -8.373 353 2HB TRP 46 1HB TRP 46 -0.705 0.049 -7.231 354 HD1 TRP 46 HD TRP 46 3.032 0.425 -8.064 355 HE1 TRP 46 1HE TRP 46 3.380 2.702 -9.212 356 HE3 TRP 46 3HE TRP 46 -1.856 1.837 -8.568 357 HZ2 TRP 46 2HZ TRP 46 1.792 4.818 -10.203 358 HZ3 TRP 46 3HZ TRP 46 -2.356 4.001 -9.626 359 HH2 TRP 46 HH TRP 46 -0.569 5.459 -10.426 360 H PHE 47 H PHE 47 2.059 0.934 -5.041 361 HA PHE 47 HA PHE 47 1.047 0.459 -2.539 362 1HB PHE 47 2HB PHE 47 1.811 2.608 -1.939 363 2HB PHE 47 1HB PHE 47 2.878 2.060 -3.230 364 HD1 PHE 47 1HD PHE 47 1.860 4.918 -2.091 365 HD2 PHE 47 2HD PHE 47 1.214 2.619 -5.614 366 HE1 PHE 47 1HE PHE 47 1.369 6.978 -3.343 367 HE2 PHE 47 2HE PHE 47 0.723 4.675 -6.871 368 HZ PHE 47 HZ PHE 47 0.801 6.858 -5.736 369 HA PRO 48 HA PRO 48 -3.127 2.056 -2.793 370 1HB PRO 48 2HB PRO 48 -3.876 1.125 -0.378 371 2HB PRO 48 1HB PRO 48 -3.611 0.051 -1.750 372 1HG PRO 48 2HG PRO 48 -2.050 0.333 0.693 373 2HG PRO 48 1HG PRO 48 -1.959 -0.924 -0.547 374 1HD PRO 48 2HD PRO 48 -0.296 1.466 -0.200 375 2HD PRO 48 1HD PRO 48 0.001 0.026 -1.192 376 H SER 49 H SER 49 -0.859 3.755 -1.735 377 HA SER 49 HA SER 49 -0.977 5.020 0.555 378 1HB SER 49 2HB SER 49 -0.420 5.873 -2.139 379 2HB SER 49 1HB SER 49 -1.026 7.211 -1.162 380 HG SER 49 HG SER 49 1.032 5.476 -0.280 381 H ASN 50 H ASN 50 -3.663 5.184 -1.708 382 HA ASN 50 HA ASN 50 -5.049 7.380 -1.043 383 1HB ASN 50 2HB ASN 50 -5.789 4.635 -1.780 384 2HB ASN 50 1HB ASN 50 -7.079 5.600 -1.076 385 1HD2 ASN 50 1HD2 ASN 50 -8.023 7.149 -2.256 386 2HD2 ASN 50 2HD2 ASN 50 -7.587 7.535 -3.879 387 H TYR 51 H TYR 51 -4.574 4.576 0.996 388 HA TYR 51 HA TYR 51 -5.305 6.119 3.301 389 1HB TYR 51 2HB TYR 51 -6.913 3.623 2.702 390 2HB TYR 51 1HB TYR 51 -7.056 4.643 4.132 391 HD1 TYR 51 1HD TYR 51 -8.130 4.105 0.748 392 HD2 TYR 51 2HD TYR 51 -7.896 7.015 3.842 393 HE1 TYR 51 1HE TYR 51 -9.845 5.446 -0.392 394 HE2 TYR 51 2HE TYR 51 -9.612 8.365 2.711 395 HH TYR 51 HH TYR 51 -11.635 7.629 0.901 396 H VAL 52 H VAL 52 -2.914 5.442 3.087 397 HA VAL 52 HA VAL 52 -2.569 3.102 4.794 398 HB VAL 52 HB VAL 52 -0.987 2.045 3.518 399 1HG1 VAL 52 1HG1 VAL 52 -2.918 1.724 2.265 400 2HG1 VAL 52 2HG1 VAL 52 -1.729 2.238 1.067 401 3HG1 VAL 52 3HG1 VAL 52 -2.922 3.384 1.673 402 1HG2 VAL 52 1HG2 VAL 52 -0.353 4.763 2.500 403 2HG2 VAL 52 2HG2 VAL 52 0.018 3.391 1.455 404 3HG2 VAL 52 3HG2 VAL 52 0.723 3.488 3.069 405 H LEU 53 H LEU 53 -0.407 3.011 5.820 406 HA LEU 53 HA LEU 53 0.801 5.660 6.143 407 1HB LEU 53 2HB LEU 53 -0.735 4.951 8.040 408 2HB LEU 53 1HB LEU 53 0.451 3.715 8.384 409 HG LEU 53 HG LEU 53 2.078 5.302 8.982 410 1HD1 LEU 53 1HD1 LEU 53 1.851 6.934 7.283 411 2HD1 LEU 53 2HD1 LEU 53 1.585 7.761 8.819 412 3HD1 LEU 53 3HD1 LEU 53 0.213 7.334 7.797 413 1HD2 LEU 53 1HD2 LEU 53 -0.355 6.574 10.143 414 2HD2 LEU 53 2HD2 LEU 53 1.167 6.141 10.923 415 3HD2 LEU 53 3HD2 LEU 53 0.004 4.883 10.498 416 H GLU 54 H GLU 54 2.859 5.552 5.506 417 HA GLU 54 HA GLU 54 4.261 2.984 5.737 418 1HB GLU 54 2HB GLU 54 4.085 3.881 3.472 419 2HB GLU 54 1HB GLU 54 4.875 5.367 3.985 420 1HG GLU 54 2HG GLU 54 6.536 3.191 4.716 421 2HG GLU 54 1HG GLU 54 6.039 2.965 3.038 422 H GLU 55 H GLU 55 5.987 2.752 7.000 423 HA GLU 55 HA GLU 55 6.960 5.100 8.436 424 1HB GLU 55 2HB GLU 55 7.552 2.241 9.147 425 2HB GLU 55 1HB GLU 55 7.627 3.658 10.186 426 1HG GLU 55 2HG GLU 55 4.996 3.546 9.314 427 2HG GLU 55 1HG GLU 55 5.443 1.875 9.645 428 H VAL 56 H VAL 56 8.866 5.932 7.856 429 HA VAL 56 HA VAL 56 10.552 4.550 5.990 430 HB VAL 56 HB VAL 56 11.111 7.166 7.386 431 1HG1 VAL 56 1HG1 VAL 56 12.298 5.753 5.027 432 2HG1 VAL 56 2HG1 VAL 56 13.108 6.482 6.414 433 3HG1 VAL 56 3HG1 VAL 56 12.391 7.508 5.171 434 1HG2 VAL 56 1HG2 VAL 56 9.757 8.273 5.970 435 2HG2 VAL 56 2HG2 VAL 56 8.945 6.716 5.810 436 3HG2 VAL 56 3HG2 VAL 56 10.141 7.214 4.614 437 H ASP 57 H ASP 57 11.191 2.732 7.246 438 HA ASP 57 HA ASP 57 12.474 2.857 9.731 439 1HB ASP 57 2HB ASP 57 11.588 0.778 8.700 440 2HB ASP 57 1HB ASP 57 12.910 0.820 7.536 Start of MODEL 10 1 1H ILE 1 1HT ILE 1 10.811 -1.487 8.342 2 2H ILE 1 2HT ILE 1 10.254 -2.936 9.075 3 3H ILE 1 3HT ILE 1 11.247 -1.851 9.959 4 HA ILE 1 HA ILE 1 8.921 -1.768 10.571 5 HB ILE 1 HB ILE 1 8.763 0.833 9.954 6 1HG1 ILE 1 2HG1 ILE 1 11.172 1.671 9.890 7 2HG1 ILE 1 1HG1 ILE 1 11.625 0.034 9.426 8 1HG2 ILE 1 1HG2 ILE 1 9.456 1.166 12.074 9 2HG2 ILE 1 2HG2 ILE 1 10.937 0.233 11.853 10 3HG2 ILE 1 3HG2 ILE 1 9.405 -0.596 12.132 11 1HD1 ILE 1 1HD1 ILE 1 10.752 0.239 7.342 12 2HD1 ILE 1 2HD1 ILE 1 11.159 1.929 7.648 13 3HD1 ILE 1 3HD1 ILE 1 9.499 1.369 7.855 14 HA PRO 2 HA PRO 2 6.310 -1.943 6.912 15 1HB PRO 2 2HB PRO 2 4.165 -3.026 8.076 16 2HB PRO 2 1HB PRO 2 5.635 -3.973 7.812 17 1HG PRO 2 2HG PRO 2 4.617 -2.711 10.317 18 2HG PRO 2 1HG PRO 2 5.427 -4.271 10.095 19 1HD PRO 2 2HD PRO 2 6.647 -1.919 10.954 20 2HD PRO 2 1HD PRO 2 7.489 -3.337 10.304 21 H ALA 3 H ALA 3 3.657 -1.507 6.929 22 HA ALA 3 HA ALA 3 3.336 1.147 8.122 23 1HB ALA 3 1HB ALA 3 1.856 1.618 6.089 24 2HB ALA 3 2HB ALA 3 2.632 0.210 5.365 25 3HB ALA 3 3HB ALA 3 3.603 1.601 5.848 26 H PHE 4 H PHE 4 1.011 1.811 8.365 27 HA PHE 4 HA PHE 4 -0.627 -0.503 9.097 28 1HB PHE 4 2HB PHE 4 0.239 1.584 10.705 29 2HB PHE 4 1HB PHE 4 -1.430 1.996 10.324 30 HD1 PHE 4 1HD PHE 4 -0.007 1.090 12.992 31 HD2 PHE 4 2HD PHE 4 -2.488 -0.841 10.123 32 HE1 PHE 4 1HE PHE 4 -0.786 -0.475 14.724 33 HE2 PHE 4 2HE PHE 4 -3.271 -2.408 11.850 34 HZ PHE 4 HZ PHE 4 -2.421 -2.226 14.154 35 H VAL 5 H VAL 5 -2.288 -0.833 7.773 36 HA VAL 5 HA VAL 5 -3.289 1.332 6.115 37 HB VAL 5 HB VAL 5 -4.281 -1.514 6.179 38 1HG1 VAL 5 1HG1 VAL 5 -4.321 -0.312 3.602 39 2HG1 VAL 5 2HG1 VAL 5 -5.071 0.800 4.744 40 3HG1 VAL 5 3HG1 VAL 5 -5.680 -0.846 4.590 41 1HG2 VAL 5 1HG2 VAL 5 -2.523 -0.976 3.976 42 2HG2 VAL 5 2HG2 VAL 5 -2.419 -2.237 5.203 43 3HG2 VAL 5 3HG2 VAL 5 -1.691 -0.658 5.498 44 H LYS 6 H LYS 6 -5.395 2.121 6.126 45 HA LYS 6 HA LYS 6 -6.877 1.598 8.601 46 1HB LYS 6 2HB LYS 6 -7.090 3.983 6.767 47 2HB LYS 6 1HB LYS 6 -7.880 3.792 8.326 48 1HG LYS 6 2HG LYS 6 -5.945 4.153 9.503 49 2HG LYS 6 1HG LYS 6 -4.910 3.617 8.178 50 1HD LYS 6 2HD LYS 6 -5.827 5.707 6.949 51 2HD LYS 6 1HD LYS 6 -6.278 6.252 8.564 52 1HE LYS 6 2HE LYS 6 -4.094 6.453 9.253 53 2HE LYS 6 1HE LYS 6 -3.508 5.258 8.097 54 1HZ LYS 6 1HZ LYS 6 -4.166 6.997 6.355 55 2HZ LYS 6 2HZ LYS 6 -2.754 7.258 7.247 56 3HZ LYS 6 3HZ LYS 6 -4.169 8.096 7.641 57 H PHE 7 H PHE 7 -8.065 2.982 5.584 58 HA PHE 7 HA PHE 7 -10.359 1.216 5.706 59 1HB PHE 7 2HB PHE 7 -9.875 3.877 4.779 60 2HB PHE 7 1HB PHE 7 -10.513 2.921 3.444 61 HD1 PHE 7 1HD PHE 7 -11.386 4.959 6.113 62 HD2 PHE 7 2HD PHE 7 -12.572 1.370 4.158 63 HE1 PHE 7 1HE PHE 7 -13.656 5.219 7.024 64 HE2 PHE 7 2HE PHE 7 -14.845 1.624 5.066 65 HZ PHE 7 HZ PHE 7 -15.389 3.549 6.500 66 H ALA 8 H ALA 8 -11.123 0.026 3.874 67 HA ALA 8 HA ALA 8 -8.962 -0.838 2.098 68 1HB ALA 8 1HB ALA 8 -9.404 -2.955 2.598 69 2HB ALA 8 2HB ALA 8 -11.128 -2.731 2.305 70 3HB ALA 8 3HB ALA 8 -10.444 -2.344 3.882 71 H TYR 9 H TYR 9 -9.383 -1.190 -0.077 72 HA TYR 9 HA TYR 9 -12.055 -0.500 -1.072 73 1HB TYR 9 2HB TYR 9 -10.386 1.460 -1.177 74 2HB TYR 9 1HB TYR 9 -9.577 0.531 -2.439 75 HD1 TYR 9 1HD TYR 9 -9.968 1.654 -4.426 76 HD2 TYR 9 2HD TYR 9 -13.214 1.017 -1.751 77 HE1 TYR 9 1HE TYR 9 -11.520 2.566 -6.101 78 HE2 TYR 9 2HE TYR 9 -14.776 1.926 -3.420 79 HH TYR 9 HH TYR 9 -14.310 3.726 -5.587 80 H VAL 10 H VAL 10 -12.710 -1.668 -2.835 81 HA VAL 10 HA VAL 10 -11.053 -3.930 -3.548 82 HB VAL 10 HB VAL 10 -13.097 -4.638 -4.866 83 1HG1 VAL 10 1HG1 VAL 10 -14.282 -5.405 -2.907 84 2HG1 VAL 10 2HG1 VAL 10 -13.509 -4.168 -1.915 85 3HG1 VAL 10 3HG1 VAL 10 -12.545 -5.474 -2.607 86 1HG2 VAL 10 1HG2 VAL 10 -14.945 -3.371 -4.991 87 2HG2 VAL 10 2HG2 VAL 10 -13.875 -2.039 -4.555 88 3HG2 VAL 10 3HG2 VAL 10 -14.821 -2.853 -3.309 89 H ALA 11 H ALA 11 -9.582 -3.600 -5.095 90 HA ALA 11 HA ALA 11 -10.145 -3.254 -7.754 91 1HB ALA 11 1HB ALA 11 -9.139 -0.787 -7.880 92 2HB ALA 11 2HB ALA 11 -9.959 -0.670 -6.323 93 3HB ALA 11 3HB ALA 11 -10.870 -1.104 -7.769 94 H GLU 12 H GLU 12 -8.463 -4.565 -8.222 95 HA GLU 12 HA GLU 12 -5.775 -3.538 -7.616 96 1HB GLU 12 2HB GLU 12 -6.480 -6.471 -7.710 97 2HB GLU 12 1HB GLU 12 -4.958 -5.751 -7.203 98 1HG GLU 12 2HG GLU 12 -5.841 -5.007 -5.183 99 2HG GLU 12 1HG GLU 12 -7.504 -5.162 -5.747 100 H ARG 13 H ARG 13 -4.799 -3.017 -9.417 101 HA ARG 13 HA ARG 13 -4.694 -4.799 -11.657 102 1HB ARG 13 2HB ARG 13 -6.518 -3.865 -12.639 103 2HB ARG 13 1HB ARG 13 -6.420 -2.411 -11.657 104 1HG ARG 13 2HG ARG 13 -4.388 -2.767 -13.792 105 2HG ARG 13 1HG ARG 13 -6.039 -2.378 -14.270 106 1HD ARG 13 2HD ARG 13 -5.433 -0.677 -12.123 107 2HD ARG 13 1HD ARG 13 -4.014 -0.666 -13.167 108 HE ARG 13 HE ARG 13 -6.612 0.427 -13.753 109 1HH1 ARG 13 1HH1 ARG 13 -3.628 -0.770 -15.112 110 2HH1 ARG 13 2HH1 ARG 13 -3.808 0.105 -16.595 111 1HH2 ARG 13 1HH2 ARG 13 -6.850 1.576 -15.705 112 2HH2 ARG 13 2HH2 ARG 13 -5.635 1.436 -16.932 113 H GLU 14 H GLU 14 -3.009 -4.206 -13.167 114 HA GLU 14 HA GLU 14 -0.740 -3.094 -11.976 115 1HB GLU 14 2HB GLU 14 0.086 -2.896 -14.391 116 2HB GLU 14 1HB GLU 14 -0.377 -4.501 -13.838 117 1HG GLU 14 2HG GLU 14 -2.697 -3.336 -14.913 118 2HG GLU 14 1HG GLU 14 -1.386 -2.978 -16.039 119 H ASP 15 H ASP 15 -0.719 -1.088 -11.206 120 HA ASP 15 HA ASP 15 -0.181 1.205 -11.815 121 1HB ASP 15 2HB ASP 15 -1.108 1.016 -14.115 122 2HB ASP 15 1HB ASP 15 -2.735 1.082 -13.436 123 H GLU 16 H GLU 16 -3.119 -0.381 -10.880 124 HA GLU 16 HA GLU 16 -3.780 1.869 -9.110 125 1HB GLU 16 2HB GLU 16 -6.019 1.205 -9.102 126 2HB GLU 16 1HB GLU 16 -5.525 0.883 -10.747 127 1HG GLU 16 2HG GLU 16 -5.316 -1.447 -10.306 128 2HG GLU 16 1HG GLU 16 -5.644 -1.180 -8.598 129 H LEU 17 H LEU 17 -4.222 1.491 -6.907 130 HA LEU 17 HA LEU 17 -3.191 -1.072 -5.895 131 1HB LEU 17 2HB LEU 17 -2.512 0.641 -3.901 132 2HB LEU 17 1HB LEU 17 -1.429 0.107 -5.177 133 HG LEU 17 HG LEU 17 -2.564 2.285 -6.358 134 1HD1 LEU 17 1HD1 LEU 17 -3.142 3.935 -4.929 135 2HD1 LEU 17 2HD1 LEU 17 -2.040 3.382 -3.668 136 3HD1 LEU 17 3HD1 LEU 17 -3.586 2.567 -3.909 137 1HD2 LEU 17 1HD2 LEU 17 -0.357 2.490 -6.562 138 2HD2 LEU 17 2HD2 LEU 17 -0.054 1.630 -5.054 139 3HD2 LEU 17 3HD2 LEU 17 -0.401 3.358 -5.027 140 H SER 18 H SER 18 -4.603 -2.123 -4.692 141 HA SER 18 HA SER 18 -6.999 -0.854 -3.743 142 1HB SER 18 2HB SER 18 -7.818 -3.007 -3.334 143 2HB SER 18 1HB SER 18 -6.723 -3.260 -4.698 144 HG SER 18 HG SER 18 -6.445 -4.003 -2.017 145 H LEU 19 H LEU 19 -7.663 -0.645 -1.583 146 HA LEU 19 HA LEU 19 -5.450 -0.457 0.312 147 1HB LEU 19 2HB LEU 19 -8.050 0.463 1.264 148 2HB LEU 19 1HB LEU 19 -6.497 1.277 1.268 149 HG LEU 19 HG LEU 19 -8.208 1.066 -1.196 150 1HD1 LEU 19 1HD1 LEU 19 -9.524 2.194 0.479 151 2HD1 LEU 19 2HD1 LEU 19 -8.938 3.366 -0.699 152 3HD1 LEU 19 3HD1 LEU 19 -8.166 3.244 0.882 153 1HD2 LEU 19 1HD2 LEU 19 -6.876 3.052 -1.862 154 2HD2 LEU 19 2HD2 LEU 19 -5.915 1.587 -1.663 155 3HD2 LEU 19 3HD2 LEU 19 -5.898 2.829 -0.411 156 H VAL 20 H VAL 20 -5.555 -1.276 2.419 157 HA VAL 20 HA VAL 20 -7.006 -3.800 2.607 158 HB VAL 20 HB VAL 20 -5.136 -2.809 4.723 159 1HG1 VAL 20 1HG1 VAL 20 -6.047 -4.816 5.381 160 2HG1 VAL 20 2HG1 VAL 20 -4.576 -5.354 4.571 161 3HG1 VAL 20 3HG1 VAL 20 -6.127 -5.443 3.735 162 1HG2 VAL 20 1HG2 VAL 20 -3.234 -3.755 3.517 163 2HG2 VAL 20 2HG2 VAL 20 -3.953 -2.417 2.621 164 3HG2 VAL 20 3HG2 VAL 20 -4.269 -4.081 2.127 165 H LYS 21 H LYS 21 -7.944 -4.426 4.740 166 HA LYS 21 HA LYS 21 -9.798 -2.412 5.614 167 1HB LYS 21 2HB LYS 21 -9.358 -5.243 6.571 168 2HB LYS 21 1HB LYS 21 -10.698 -4.212 7.054 169 1HG LYS 21 2HG LYS 21 -11.749 -5.308 5.399 170 2HG LYS 21 1HG LYS 21 -10.981 -4.080 4.398 171 1HD LYS 21 2HD LYS 21 -10.593 -6.208 3.375 172 2HD LYS 21 1HD LYS 21 -9.071 -5.647 4.055 173 1HE LYS 21 2HE LYS 21 -9.617 -8.075 4.448 174 2HE LYS 21 1HE LYS 21 -9.227 -7.133 5.886 175 1HZ LYS 21 1HZ LYS 21 -12.002 -7.660 4.984 176 2HZ LYS 21 2HZ LYS 21 -11.509 -7.006 6.463 177 3HZ LYS 21 3HZ LYS 21 -11.189 -8.628 6.108 178 H GLY 22 H GLY 22 -7.002 -4.066 7.010 179 1HA GLY 22 2HA GLY 22 -6.357 -1.945 8.730 180 2HA GLY 22 1HA GLY 22 -7.296 -3.116 9.636 181 H SER 23 H SER 23 -5.086 -3.940 7.060 182 HA SER 23 HA SER 23 -3.481 -5.417 8.992 183 1HB SER 23 2HB SER 23 -4.502 -6.073 6.426 184 2HB SER 23 1HB SER 23 -2.740 -6.063 6.322 185 HG SER 23 HG SER 23 -2.875 -7.382 8.329 186 H ARG 24 H ARG 24 -1.111 -5.586 8.464 187 HA ARG 24 HA ARG 24 -0.110 -2.912 7.867 188 1HB ARG 24 2HB ARG 24 1.098 -5.250 9.279 189 2HB ARG 24 1HB ARG 24 2.021 -3.815 8.878 190 1HG ARG 24 2HG ARG 24 -0.442 -3.133 10.208 191 2HG ARG 24 1HG ARG 24 0.510 -4.272 11.170 192 1HD ARG 24 2HD ARG 24 2.474 -2.631 10.498 193 2HD ARG 24 1HD ARG 24 1.141 -1.492 10.324 194 HE ARG 24 HE ARG 24 1.107 -1.343 12.591 195 1HH1 ARG 24 1HH1 ARG 24 2.399 -4.473 11.747 196 2HH1 ARG 24 2HH1 ARG 24 2.671 -4.942 13.391 197 1HH2 ARG 24 1HH2 ARG 24 1.464 -1.958 14.752 198 2HH2 ARG 24 2HH2 ARG 24 2.136 -3.516 15.097 199 H VAL 25 H VAL 25 1.591 -2.542 6.420 200 HA VAL 25 HA VAL 25 2.025 -4.716 4.475 201 HB VAL 25 HB VAL 25 2.123 -1.794 3.771 202 1HG1 VAL 25 1HG1 VAL 25 1.398 -2.956 1.528 203 2HG1 VAL 25 2HG1 VAL 25 2.121 -4.373 2.288 204 3HG1 VAL 25 3HG1 VAL 25 3.089 -2.923 2.030 205 1HG2 VAL 25 1HG2 VAL 25 -0.101 -2.311 4.718 206 2HG2 VAL 25 2HG2 VAL 25 -0.284 -3.594 3.520 207 3HG2 VAL 25 3HG2 VAL 25 -0.163 -1.913 3.001 208 H THR 26 H THR 26 3.992 -4.473 3.156 209 HA THR 26 HA THR 26 6.285 -3.982 4.828 210 HB THR 26 HB THR 26 7.548 -5.135 3.238 211 HG1 THR 26 1HG THR 26 5.755 -4.018 1.478 212 1HG2 THR 26 1HG2 THR 26 5.004 -6.246 3.849 213 2HG2 THR 26 2HG2 THR 26 6.533 -7.070 3.537 214 3HG2 THR 26 3HG2 THR 26 5.446 -6.694 2.201 215 H VAL 27 H VAL 27 7.830 -2.370 4.562 216 HA VAL 27 HA VAL 27 6.998 0.099 3.638 217 HB VAL 27 HB VAL 27 8.894 -0.155 5.157 218 1HG1 VAL 27 1HG1 VAL 27 10.896 -1.146 4.638 219 2HG1 VAL 27 2HG1 VAL 27 10.709 -0.873 2.906 220 3HG1 VAL 27 3HG1 VAL 27 9.785 -2.146 3.705 221 1HG2 VAL 27 1HG2 VAL 27 9.887 1.210 2.668 222 2HG2 VAL 27 2HG2 VAL 27 10.216 1.627 4.349 223 3HG2 VAL 27 3HG2 VAL 27 8.606 1.880 3.676 224 H MET 28 H MET 28 6.099 -0.017 1.691 225 HA MET 28 HA MET 28 6.839 -1.165 -0.643 226 1HB MET 28 2HB MET 28 5.685 0.939 -1.682 227 2HB MET 28 1HB MET 28 4.762 -0.208 -0.715 228 1HG MET 28 2HG MET 28 5.992 1.905 0.852 229 2HG MET 28 1HG MET 28 4.853 2.505 -0.350 230 1HE MET 28 1HE MET 28 4.733 3.094 2.380 231 2HE MET 28 2HE MET 28 4.346 1.825 3.542 232 3HE MET 28 3HE MET 28 3.062 2.839 2.885 233 H GLU 29 H GLU 29 7.188 0.378 -2.692 234 HA GLU 29 HA GLU 29 9.929 1.342 -2.425 235 1HB GLU 29 2HB GLU 29 10.199 0.871 -4.681 236 2HB GLU 29 1HB GLU 29 9.042 -0.348 -4.209 237 1HG GLU 29 2HG GLU 29 7.236 0.872 -5.187 238 2HG GLU 29 1HG GLU 29 8.273 2.264 -5.486 239 H LYS 30 H LYS 30 10.567 3.285 -3.624 240 HA LYS 30 HA LYS 30 8.465 5.322 -3.542 241 1HB LYS 30 2HB LYS 30 11.435 5.481 -3.072 242 2HB LYS 30 1HB LYS 30 10.485 6.915 -3.436 243 1HG LYS 30 2HG LYS 30 9.162 6.618 -1.460 244 2HG LYS 30 1HG LYS 30 9.929 5.058 -1.132 245 1HD LYS 30 2HD LYS 30 11.674 6.028 -0.127 246 2HD LYS 30 1HD LYS 30 11.872 7.196 -1.435 247 1HE LYS 30 2HE LYS 30 11.404 8.332 0.661 248 2HE LYS 30 1HE LYS 30 10.078 8.562 -0.478 249 1HZ LYS 30 1HZ LYS 30 10.150 6.977 1.992 250 2HZ LYS 30 2HZ LYS 30 9.119 6.490 0.743 251 3HZ LYS 30 3HZ LYS 30 8.954 8.029 1.424 252 H CYS 31 H CYS 31 7.686 5.200 -5.603 253 HA CYS 31 HA CYS 31 9.582 5.294 -7.816 254 1HB CYS 31 2HB CYS 31 7.825 4.587 -9.231 255 2HB CYS 31 1HB CYS 31 7.634 3.658 -7.749 256 HG CYS 31 HG CYS 31 5.292 4.453 -8.257 257 H SER 32 H SER 32 9.223 6.804 -9.597 258 HA SER 32 HA SER 32 8.498 9.436 -8.589 259 1HB SER 32 2HB SER 32 10.589 9.414 -9.712 260 2HB SER 32 1HB SER 32 9.935 8.502 -11.071 261 HG SER 32 HG SER 32 9.004 11.085 -10.388 262 H ASP 33 H ASP 33 6.928 6.973 -10.186 263 HA ASP 33 HA ASP 33 5.212 8.818 -11.691 264 1HB ASP 33 2HB ASP 33 5.914 5.940 -11.980 265 2HB ASP 33 1HB ASP 33 4.290 6.433 -12.465 266 H GLY 34 H GLY 34 2.846 7.933 -11.785 267 1HA GLY 34 2HA GLY 34 1.779 8.218 -9.172 268 2HA GLY 34 1HA GLY 34 0.861 7.852 -10.628 269 H TRP 35 H TRP 35 2.562 5.438 -11.116 270 HA TRP 35 HA TRP 35 0.970 3.612 -9.555 271 1HB TRP 35 2HB TRP 35 2.284 1.871 -10.877 272 2HB TRP 35 1HB TRP 35 1.267 2.960 -11.806 273 HD1 TRP 35 HD TRP 35 2.503 4.782 -13.347 274 HE1 TRP 35 1HE TRP 35 4.885 4.861 -14.319 275 HE3 TRP 35 3HE TRP 35 4.714 1.242 -10.388 276 HZ2 TRP 35 2HZ TRP 35 7.367 3.590 -13.895 277 HZ3 TRP 35 3HZ TRP 35 7.094 0.732 -10.740 278 HH2 TRP 35 HH TRP 35 8.391 1.882 -12.458 279 H TRP 36 H TRP 36 1.585 3.568 -7.454 280 HA TRP 36 HA TRP 36 4.386 3.404 -6.744 281 1HB TRP 36 2HB TRP 36 1.948 4.271 -5.489 282 2HB TRP 36 1HB TRP 36 2.789 3.131 -4.447 283 HD1 TRP 36 HD TRP 36 5.752 4.156 -5.497 284 HE1 TRP 36 1HE TRP 36 6.647 6.357 -4.486 285 HE3 TRP 36 3HE TRP 36 1.344 6.153 -3.851 286 HZ2 TRP 36 2HZ TRP 36 5.616 8.632 -3.171 287 HZ3 TRP 36 3HZ TRP 36 1.382 8.342 -2.729 288 HH2 TRP 36 HH TRP 36 3.475 9.555 -2.397 289 H ARG 37 H ARG 37 5.450 1.596 -6.341 290 HA ARG 37 HA ARG 37 3.969 -0.912 -6.131 291 1HB ARG 37 2HB ARG 37 6.176 -0.267 -7.601 292 2HB ARG 37 1HB ARG 37 6.900 -1.055 -6.204 293 1HG ARG 37 2HG ARG 37 6.483 -2.997 -7.188 294 2HG ARG 37 1HG ARG 37 4.771 -2.695 -6.902 295 1HD ARG 37 2HD ARG 37 4.364 -2.341 -9.065 296 2HD ARG 37 1HD ARG 37 5.764 -1.283 -9.237 297 HE ARG 37 HE ARG 37 6.968 -3.056 -10.051 298 1HH1 ARG 37 1HH1 ARG 37 4.041 -4.250 -8.570 299 2HH1 ARG 37 2HH1 ARG 37 4.257 -5.867 -9.150 300 1HH2 ARG 37 1HH2 ARG 37 7.254 -5.185 -10.816 301 2HH2 ARG 37 2HH2 ARG 37 6.080 -6.398 -10.425 302 H GLY 38 H GLY 38 4.387 -2.454 -4.559 303 1HA GLY 38 2HA GLY 38 6.109 -1.962 -2.323 304 2HA GLY 38 1HA GLY 38 4.415 -1.673 -1.937 305 H SER 39 H SER 39 5.237 -3.522 -0.402 306 HA SER 39 HA SER 39 4.335 -6.036 -1.625 307 1HB SER 39 2HB SER 39 6.334 -6.487 0.447 308 2HB SER 39 1HB SER 39 6.244 -7.147 -1.184 309 HG SER 39 HG SER 39 7.732 -5.790 -1.733 310 H TYR 40 H TYR 40 3.088 -7.363 -0.324 311 HA TYR 40 HA TYR 40 2.695 -6.516 2.453 312 1HB TYR 40 2HB TYR 40 0.140 -7.289 1.569 313 2HB TYR 40 1HB TYR 40 0.671 -5.686 2.049 314 HD1 TYR 40 1HD TYR 40 2.017 -4.417 0.058 315 HD2 TYR 40 2HD TYR 40 -0.920 -7.448 -0.453 316 HE1 TYR 40 1HE TYR 40 1.579 -3.598 -2.216 317 HE2 TYR 40 2HE TYR 40 -1.367 -6.639 -2.732 318 HH TYR 40 HH TYR 40 -0.326 -5.361 -4.469 319 H ASN 41 H ASN 41 2.121 -8.124 3.885 320 HA ASN 41 HA ASN 41 2.961 -10.730 3.290 321 1HB ASN 41 2HB ASN 41 1.111 -10.087 5.547 322 2HB ASN 41 1HB ASN 41 2.372 -11.310 5.487 323 1HD2 ASN 41 1HD2 ASN 41 1.570 -8.167 6.401 324 2HD2 ASN 41 2HD2 ASN 41 3.152 -7.619 6.824 325 H GLY 42 H GLY 42 1.865 -11.512 1.498 326 1HA GLY 42 2HA GLY 42 -0.009 -13.286 1.505 327 2HA GLY 42 1HA GLY 42 -1.025 -11.873 1.753 328 H GLN 43 H GLN 43 0.754 -10.233 0.053 329 HA GLN 43 HA GLN 43 0.841 -11.330 -2.547 330 1HB GLN 43 2HB GLN 43 -0.943 -9.751 -3.495 331 2HB GLN 43 1HB GLN 43 -1.498 -11.210 -2.679 332 1HG GLN 43 2HG GLN 43 -1.392 -9.361 -0.645 333 2HG GLN 43 1HG GLN 43 -1.950 -8.414 -2.027 334 1HE2 GLN 43 1HE2 GLN 43 -2.907 -10.276 0.502 335 2HE2 GLN 43 2HE2 GLN 43 -4.478 -10.741 -0.059 336 H ILE 44 H ILE 44 1.634 -9.845 -4.126 337 HA ILE 44 HA ILE 44 2.732 -7.385 -2.956 338 HB ILE 44 HB ILE 44 4.021 -9.506 -4.612 339 1HG1 ILE 44 2HG1 ILE 44 5.853 -9.106 -3.043 340 2HG1 ILE 44 1HG1 ILE 44 4.978 -7.726 -2.380 341 1HG2 ILE 44 1HG2 ILE 44 4.885 -6.614 -4.639 342 2HG2 ILE 44 2HG2 ILE 44 4.315 -7.548 -6.021 343 3HG2 ILE 44 3HG2 ILE 44 5.840 -7.966 -5.242 344 1HD1 ILE 44 1HD1 ILE 44 3.614 -9.007 -1.134 345 2HD1 ILE 44 2HD1 ILE 44 4.951 -10.152 -1.269 346 3HD1 ILE 44 3HD1 ILE 44 3.553 -10.300 -2.334 347 H GLY 45 H GLY 45 3.196 -5.658 -4.462 348 1HA GLY 45 2HA GLY 45 2.670 -5.334 -7.071 349 2HA GLY 45 1HA GLY 45 1.043 -5.367 -6.392 350 H TRP 46 H TRP 46 0.295 -3.348 -6.315 351 HA TRP 46 HA TRP 46 2.125 -1.174 -5.650 352 1HB TRP 46 2HB TRP 46 -0.627 -1.228 -6.896 353 2HB TRP 46 1HB TRP 46 0.201 0.268 -6.453 354 HD1 TRP 46 HD TRP 46 2.033 1.140 -8.060 355 HE1 TRP 46 1HE TRP 46 2.999 0.361 -10.303 356 HE3 TRP 46 3HE TRP 46 -0.133 -3.470 -8.286 357 HZ2 TRP 46 2HZ TRP 46 2.840 -1.917 -11.974 358 HZ3 TRP 46 3HZ TRP 46 0.318 -4.891 -10.242 359 HH2 TRP 46 HH TRP 46 1.774 -4.130 -12.049 360 H PHE 47 H PHE 47 1.850 0.146 -3.876 361 HA PHE 47 HA PHE 47 0.125 -0.972 -1.816 362 1HB PHE 47 2HB PHE 47 1.378 0.332 -0.222 363 2HB PHE 47 1HB PHE 47 2.485 -0.525 -1.288 364 HD1 PHE 47 1HD PHE 47 1.295 2.715 -0.164 365 HD2 PHE 47 2HD PHE 47 3.776 0.697 -2.966 366 HE1 PHE 47 1HE PHE 47 2.488 4.819 -0.622 367 HE2 PHE 47 2HE PHE 47 4.970 2.797 -3.431 368 HZ PHE 47 HZ PHE 47 4.327 4.860 -2.252 369 HA PRO 48 HA PRO 48 -2.817 2.326 -2.071 370 1HB PRO 48 2HB PRO 48 -4.451 1.517 -0.164 371 2HB PRO 48 1HB PRO 48 -4.167 0.489 -1.574 372 1HG PRO 48 2HG PRO 48 -3.025 0.288 1.184 373 2HG PRO 48 1HG PRO 48 -3.603 -1.006 0.121 374 1HD PRO 48 2HD PRO 48 -0.943 -0.232 0.438 375 2HD PRO 48 1HD PRO 48 -1.587 -1.192 -0.907 376 H SER 49 H SER 49 -0.659 3.522 -0.983 377 HA SER 49 HA SER 49 -0.603 4.228 1.670 378 1HB SER 49 2HB SER 49 0.574 5.171 -0.724 379 2HB SER 49 1HB SER 49 -0.040 6.576 0.151 380 HG SER 49 HG SER 49 1.615 4.555 1.264 381 H ASN 50 H ASN 50 -3.019 5.065 -0.632 382 HA ASN 50 HA ASN 50 -4.007 7.470 0.052 383 1HB ASN 50 2HB ASN 50 -5.181 4.946 -0.868 384 2HB ASN 50 1HB ASN 50 -6.320 6.083 -0.158 385 1HD2 ASN 50 1HD2 ASN 50 -6.626 8.084 -1.121 386 2HD2 ASN 50 2HD2 ASN 50 -6.167 8.380 -2.755 387 H TYR 51 H TYR 51 -4.038 4.621 2.050 388 HA TYR 51 HA TYR 51 -4.839 6.226 4.302 389 1HB TYR 51 2HB TYR 51 -6.598 4.085 3.159 390 2HB TYR 51 1HB TYR 51 -6.559 4.331 4.904 391 HD1 TYR 51 1HD TYR 51 -7.197 6.586 5.826 392 HD2 TYR 51 2HD TYR 51 -7.823 5.533 1.751 393 HE1 TYR 51 1HE TYR 51 -8.818 8.422 5.607 394 HE2 TYR 51 2HE TYR 51 -9.444 7.367 1.520 395 HH TYR 51 HH TYR 51 -11.007 8.726 3.691 396 H VAL 52 H VAL 52 -2.471 5.476 4.285 397 HA VAL 52 HA VAL 52 -2.335 3.115 5.993 398 HB VAL 52 HB VAL 52 -0.653 2.046 4.848 399 1HG1 VAL 52 1HG1 VAL 52 -2.221 3.500 2.732 400 2HG1 VAL 52 2HG1 VAL 52 -2.613 1.947 3.472 401 3HG1 VAL 52 3HG1 VAL 52 -1.201 2.095 2.425 402 1HG2 VAL 52 1HG2 VAL 52 1.019 3.707 4.715 403 2HG2 VAL 52 2HG2 VAL 52 0.037 4.725 3.663 404 3HG2 VAL 52 3HG2 VAL 52 0.715 3.218 3.047 405 H LEU 53 H LEU 53 -0.269 2.990 7.238 406 HA LEU 53 HA LEU 53 0.708 5.690 7.871 407 1HB LEU 53 2HB LEU 53 -0.310 3.545 9.494 408 2HB LEU 53 1HB LEU 53 1.336 3.917 9.964 409 HG LEU 53 HG LEU 53 0.119 5.272 11.375 410 1HD1 LEU 53 1HD1 LEU 53 0.918 7.303 10.890 411 2HD1 LEU 53 2HD1 LEU 53 0.041 7.390 9.362 412 3HD1 LEU 53 3HD1 LEU 53 1.581 6.534 9.447 413 1HD2 LEU 53 1HD2 LEU 53 -1.750 6.337 9.336 414 2HD2 LEU 53 2HD2 LEU 53 -2.005 6.012 11.050 415 3HD2 LEU 53 3HD2 LEU 53 -1.993 4.679 9.891 416 H GLU 54 H GLU 54 2.740 6.006 7.173 417 HA GLU 54 HA GLU 54 4.490 3.667 6.912 418 1HB GLU 54 2HB GLU 54 4.031 4.968 4.867 419 2HB GLU 54 1HB GLU 54 4.773 6.376 5.617 420 1HG GLU 54 2HG GLU 54 6.575 4.186 5.806 421 2HG GLU 54 1HG GLU 54 5.997 4.306 4.143 422 H GLU 55 H GLU 55 6.388 3.516 7.948 423 HA GLU 55 HA GLU 55 7.187 5.759 9.654 424 1HB GLU 55 2HB GLU 55 7.933 2.944 10.306 425 2HB GLU 55 1HB GLU 55 7.723 4.312 11.388 426 1HG GLU 55 2HG GLU 55 5.222 3.971 10.358 427 2HG GLU 55 1HG GLU 55 5.824 2.321 10.478 428 H VAL 56 H VAL 56 9.015 6.666 8.952 429 HA VAL 56 HA VAL 56 10.866 5.077 7.363 430 HB VAL 56 HB VAL 56 11.082 8.041 7.813 431 1HG1 VAL 56 1HG1 VAL 56 12.644 8.020 6.194 432 2HG1 VAL 56 2HG1 VAL 56 11.784 6.815 5.235 433 3HG1 VAL 56 3HG1 VAL 56 12.776 6.310 6.603 434 1HG2 VAL 56 1HG2 VAL 56 9.026 8.181 6.886 435 2HG2 VAL 56 2HG2 VAL 56 9.106 6.557 6.202 436 3HG2 VAL 56 3HG2 VAL 56 9.913 7.898 5.388 437 H ASP 57 H ASP 57 11.551 3.945 9.354 438 HA ASP 57 HA ASP 57 12.910 5.292 11.431 439 1HB ASP 57 2HB ASP 57 11.965 2.858 11.322 440 2HB ASP 57 1HB ASP 57 13.552 2.463 10.668
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