NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
504357 | 2ecy | 11164 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -44.128 15.589 -17.428 2 HA2 GLY 1 1HA GLY 1 -44.994 13.325 -16.074 3 HA3 GLY 1 2HA GLY 1 -45.048 12.927 -17.784 4 H SER 2 H SER 2 -42.717 15.013 -16.138 5 HA SER 2 HA SER 2 -40.647 12.973 -16.478 6 HB3 SER 2 2HB SER 2 -40.882 15.450 -18.021 7 HG SER 2 HG SER 2 -38.273 14.868 -17.187 8 H SER 3 H SER 3 -39.663 12.744 -14.594 9 HA SER 3 HA SER 3 -38.465 14.860 -13.175 10 HB3 SER 3 2HB SER 3 -40.602 13.744 -11.443 11 HG SER 3 HG SER 3 -38.978 15.385 -10.871 12 H GLY 4 H GLY 4 -37.195 14.137 -11.421 13 HA2 GLY 4 1HA GLY 4 -36.091 11.615 -11.638 14 HA3 GLY 4 2HA GLY 4 -35.976 12.620 -10.202 15 H SER 5 H SER 5 -36.030 9.880 -9.993 16 HA SER 5 HA SER 5 -38.514 9.506 -8.508 17 HB3 SER 5 2HB SER 5 -37.531 7.364 -10.399 18 HG SER 5 HG SER 5 -39.721 6.637 -10.032 19 H SER 6 H SER 6 -35.284 8.365 -9.326 20 HA SER 6 HA SER 6 -35.153 6.711 -6.939 21 HB3 SER 6 2HB SER 6 -33.710 5.547 -8.194 22 HG SER 6 HG SER 6 -33.525 6.035 -10.286 23 H GLY 7 H GLY 7 -35.007 7.905 -5.120 24 HA2 GLY 7 1HA GLY 7 -34.205 9.414 -3.582 25 HA3 GLY 7 2HA GLY 7 -32.638 9.042 -4.287 26 H PHE 8 H PHE 8 -32.684 11.447 -3.366 27 HA PHE 8 HA PHE 8 -33.081 13.162 -5.724 28 HB3 PHE 8 2HB PHE 8 -33.605 15.027 -4.077 29 HD1 PHE 8 1HD PHE 8 -35.373 11.778 -3.588 30 HD2 PHE 8 2HD PHE 8 -35.505 15.737 -5.142 31 HE1 PHE 8 1HE PHE 8 -37.713 11.431 -4.264 32 HE2 PHE 8 2HE PHE 8 -37.845 15.399 -5.819 33 HZ PHE 8 HZ PHE 8 -38.954 13.243 -5.379 34 H VAL 9 H VAL 9 -30.711 11.777 -4.798 35 HA VAL 9 HA VAL 9 -29.025 14.043 -3.961 36 HB VAL 9 HB VAL 9 -28.916 12.141 -2.433 37 HG11 VAL 9 1HG1 VAL 9 -29.498 10.390 -4.065 38 HG12 VAL 9 2HG1 VAL 9 -27.898 10.558 -4.791 39 HG13 VAL 9 3HG1 VAL 9 -28.059 9.985 -3.131 40 HG21 VAL 9 3HG2 VAL 9 -26.330 11.617 -3.031 41 HG22 VAL 9 1HG2 VAL 9 -26.597 13.079 -3.979 42 HG23 VAL 9 2HG2 VAL 9 -26.883 13.093 -2.239 43 H LYS 10 H LYS 10 -27.579 14.844 -5.342 44 HA LYS 10 HA LYS 10 -27.116 13.388 -7.856 45 HB3 LYS 10 2HB LYS 10 -26.145 15.964 -8.203 46 HG3 LYS 10 2HG LYS 10 -28.744 14.673 -8.932 47 HD3 LYS 10 2HD LYS 10 -28.640 17.359 -8.608 48 HE3 LYS 10 2HE LYS 10 -28.564 17.992 -11.199 49 HZ1 LYS 10 3HZ LYS 10 -26.489 19.006 -10.804 50 HZ2 LYS 10 1HZ LYS 10 -26.053 17.865 -9.633 51 HZ3 LYS 10 2HZ LYS 10 -27.278 18.984 -9.307 52 H THR 11 H THR 11 -25.076 12.938 -8.557 53 HA THR 11 HA THR 11 -22.819 12.628 -8.514 54 HB THR 11 HB THR 11 -22.308 14.688 -6.441 55 HG1 THR 11 1HG THR 11 -23.785 15.906 -7.449 56 HG21 THR 11 3HG2 THR 11 -20.618 13.428 -7.929 57 HG22 THR 11 1HG2 THR 11 -20.429 15.171 -7.741 58 HG23 THR 11 2HG2 THR 11 -21.158 14.516 -9.208 59 H VAL 12 H VAL 12 -21.109 11.752 -7.171 60 HA VAL 12 HA VAL 12 -22.098 10.068 -5.123 61 HB VAL 12 HB VAL 12 -20.231 9.336 -6.458 62 HG11 VAL 12 1HG1 VAL 12 -18.513 10.634 -7.015 63 HG12 VAL 12 2HG1 VAL 12 -19.321 11.955 -6.167 64 HG13 VAL 12 3HG1 VAL 12 -18.133 10.960 -5.325 65 HG21 VAL 12 3HG2 VAL 12 -19.083 8.276 -4.794 66 HG22 VAL 12 1HG2 VAL 12 -18.897 9.744 -3.835 67 HG23 VAL 12 2HG2 VAL 12 -20.442 8.894 -3.855 68 H GLU 13 H GLU 13 -22.676 10.754 -3.171 69 HA GLU 13 HA GLU 13 -21.120 12.906 -1.907 70 HB3 GLU 13 2HB GLU 13 -23.213 12.890 -0.334 71 HG3 GLU 13 2HG GLU 13 -24.508 14.313 -1.934 72 H ASP 14 H ASP 14 -19.583 10.993 -1.556 73 HA ASP 14 HA ASP 14 -19.598 10.321 1.172 74 HB3 ASP 14 2HB ASP 14 -20.084 7.913 -0.576 75 H LYS 15 H LYS 15 -17.660 9.368 1.841 76 HA LYS 15 HA LYS 15 -15.746 8.486 -0.153 77 HB3 LYS 15 2HB LYS 15 -15.331 10.848 -0.230 78 HG3 LYS 15 2HG LYS 15 -14.436 11.268 2.491 79 HD3 LYS 15 2HD LYS 15 -15.630 13.349 2.235 80 HE3 LYS 15 2HE LYS 15 -13.769 12.364 0.258 81 HZ1 LYS 15 3HZ LYS 15 -15.960 13.634 -0.860 82 HZ2 LYS 15 1HZ LYS 15 -14.477 13.300 -1.603 83 HZ3 LYS 15 2HZ LYS 15 -14.724 14.787 -0.834 84 H TYR 16 H TYR 16 -13.479 8.315 1.220 85 HA TYR 16 HA TYR 16 -14.196 6.814 3.653 86 HB3 TYR 16 2HB TYR 16 -12.448 5.240 3.167 87 HD1 TYR 16 1HD TYR 16 -13.199 6.403 -0.257 88 HD2 TYR 16 2HD TYR 16 -14.246 3.709 2.866 89 HE1 TYR 16 1HE TYR 16 -14.633 5.157 -1.820 90 HE2 TYR 16 2HE TYR 16 -15.681 2.456 1.311 91 HH TYR 16 HH TYR 16 -15.728 2.130 -1.295 92 H LYS 17 H LYS 17 -12.163 6.470 5.072 93 HA LYS 17 HA LYS 17 -10.292 8.683 5.037 94 HB3 LYS 17 2HB LYS 17 -12.495 8.424 7.042 95 HG3 LYS 17 2HG LYS 17 -10.779 10.262 8.164 96 HD3 LYS 17 2HD LYS 17 -10.385 8.136 9.756 97 HE3 LYS 17 2HE LYS 17 -12.355 10.211 9.505 98 HZ1 LYS 17 3HZ LYS 17 -14.181 8.921 9.567 99 HZ2 LYS 17 1HZ LYS 17 -13.811 8.794 11.212 100 HZ3 LYS 17 2HZ LYS 17 -13.358 7.561 10.147 101 H CYS 18 H CYS 18 -8.400 8.232 6.086 102 HA CYS 18 HA CYS 18 -7.773 5.537 6.605 103 HB3 CYS 18 2HB CYS 18 -6.311 8.095 7.272 104 H GLU 19 H GLU 19 -7.581 4.369 8.462 105 HA GLU 19 HA GLU 19 -9.000 5.381 10.774 106 HB3 GLU 19 2HB GLU 19 -8.105 2.918 11.520 107 HG3 GLU 19 2HG GLU 19 -10.219 2.056 11.037 108 H LYS 20 H LYS 20 -6.325 6.451 10.011 109 HA LYS 20 HA LYS 20 -5.027 6.033 12.616 110 HB3 LYS 20 2HB LYS 20 -3.071 6.652 10.597 111 HG3 LYS 20 2HG LYS 20 -3.509 4.411 12.529 112 HD3 LYS 20 2HD LYS 20 -1.177 4.613 10.629 113 HE3 LYS 20 2HE LYS 20 -0.288 2.819 11.686 114 HZ1 LYS 20 3HZ LYS 20 -0.778 2.815 14.074 115 HZ2 LYS 20 1HZ LYS 20 -2.117 3.812 13.805 116 HZ3 LYS 20 2HZ LYS 20 -0.559 4.383 13.478 117 H CYS 21 H CYS 21 -4.656 8.053 9.694 118 HA CYS 21 HA CYS 21 -4.291 10.385 11.433 119 HB3 CYS 21 2HB CYS 21 -2.517 10.158 9.855 120 H HIS 22 H HIS 22 -6.792 8.872 10.079 121 HA HIS 22 HA HIS 22 -8.907 9.452 9.478 122 HB3 HIS 22 2HB HIS 22 -9.790 10.950 10.894 123 HD2 HIS 22 2HD HIS 22 -7.637 9.255 12.497 124 HE1 HIS 22 1HE HIS 22 -6.334 12.941 14.145 125 HE2 HIS 22 2HE HIS 22 -6.240 10.431 14.329 126 H LEU 23 H LEU 23 -6.598 9.961 7.661 127 HA LEU 23 HA LEU 23 -7.139 12.313 6.159 128 HB3 LEU 23 2HB LEU 23 -5.873 10.699 4.389 129 HG LEU 23 HG LEU 23 -3.671 11.382 5.724 130 HD11 LEU 23 1HD1 LEU 23 -3.698 13.475 4.501 131 HD12 LEU 23 2HD1 LEU 23 -5.443 13.348 4.280 132 HD13 LEU 23 3HD1 LEU 23 -4.369 12.180 3.510 133 HD21 LEU 23 3HD2 LEU 23 -3.891 13.034 7.278 134 HD22 LEU 23 1HD2 LEU 23 -5.380 12.143 7.599 135 HD23 LEU 23 2HD2 LEU 23 -5.424 13.607 6.616 136 H VAL 24 H VAL 24 -8.912 12.656 5.009 137 HA VAL 24 HA VAL 24 -10.701 10.594 4.224 138 HB VAL 24 HB VAL 24 -10.575 13.478 3.331 139 HG11 VAL 24 1HG1 VAL 24 -13.133 12.860 2.998 140 HG12 VAL 24 2HG1 VAL 24 -11.939 12.616 1.721 141 HG13 VAL 24 3HG1 VAL 24 -12.450 11.258 2.725 142 HG21 VAL 24 3HG2 VAL 24 -10.916 13.402 5.684 143 HG22 VAL 24 1HG2 VAL 24 -12.491 13.701 4.949 144 HG23 VAL 24 2HG2 VAL 24 -12.084 12.089 5.538 145 H LEU 25 H LEU 25 -10.451 9.236 2.588 146 HA LEU 25 HA LEU 25 -9.081 10.189 0.161 147 HB3 LEU 25 2HB LEU 25 -7.600 8.552 0.307 148 HG LEU 25 HG LEU 25 -8.936 8.051 2.921 149 HD11 LEU 25 1HD1 LEU 25 -6.649 6.330 2.536 150 HD12 LEU 25 2HD1 LEU 25 -7.961 5.918 1.433 151 HD13 LEU 25 3HD1 LEU 25 -8.250 5.953 3.173 152 HD21 LEU 25 3HD2 LEU 25 -6.144 8.730 2.015 153 HD22 LEU 25 1HD2 LEU 25 -6.588 8.410 3.692 154 HD23 LEU 25 2HD2 LEU 25 -7.295 9.784 2.840 155 H CYS 26 H CYS 26 -9.644 8.879 -1.797 156 HA CYS 26 HA CYS 26 -12.531 8.422 -1.825 157 HB3 CYS 26 2HB CYS 26 -11.603 8.193 -4.437 158 H SER 27 H SER 27 -9.485 6.819 -2.590 159 HA SER 27 HA SER 27 -10.940 4.262 -2.670 160 HB3 SER 27 2HB SER 27 -8.762 5.213 -4.533 161 HG SER 27 HG SER 27 -9.712 2.693 -4.955 162 HA PRO 28 HA PRO 28 -7.645 4.104 0.556 163 HB3 PRO 28 2HB PRO 28 -9.206 4.459 2.203 164 HG3 PRO 28 2HG PRO 28 -11.450 3.954 1.859 165 HD3 PRO 28 2HD PRO 28 -11.026 5.192 -0.039 166 H LYS 29 H LYS 29 -7.474 1.838 2.058 167 HA LYS 29 HA LYS 29 -7.286 -0.325 0.066 168 HB3 LYS 29 2HB LYS 29 -5.174 -0.942 0.823 169 HG3 LYS 29 2HG LYS 29 -3.861 1.224 1.293 170 HD3 LYS 29 2HD LYS 29 -5.155 1.757 -1.236 171 HE3 LYS 29 2HE LYS 29 -2.474 0.650 -0.419 172 HZ1 LYS 29 3HZ LYS 29 -3.356 1.583 -3.097 173 HZ2 LYS 29 1HZ LYS 29 -2.993 -0.017 -2.683 174 HZ3 LYS 29 2HZ LYS 29 -1.776 1.157 -2.671 175 H GLN 30 H GLN 30 -9.570 -0.308 1.352 176 HA GLN 30 HA GLN 30 -10.027 -1.192 3.833 177 HB3 GLN 30 2HB GLN 30 -11.356 -2.892 1.819 178 HG3 GLN 30 2HG GLN 30 -12.425 -0.905 3.809 179 HE21 GLN 30 1HE2 GLN 30 -14.334 -3.250 4.250 180 HE22 GLN 30 2HE2 GLN 30 -15.538 -3.024 3.032 181 H THR 31 H THR 31 -9.060 -2.631 5.085 182 HA THR 31 HA THR 31 -7.442 -4.740 4.060 183 HB THR 31 HB THR 31 -6.917 -5.281 6.295 184 HG1 THR 31 1HG THR 31 -9.349 -3.966 6.985 185 HG21 THR 31 3HG2 THR 31 -7.542 -2.439 6.839 186 HG22 THR 31 1HG2 THR 31 -6.573 -2.774 5.405 187 HG23 THR 31 2HG2 THR 31 -6.019 -3.313 6.990 188 H GLU 32 H GLU 32 -8.160 -6.705 6.106 189 HA GLU 32 HA GLU 32 -10.407 -7.937 4.682 190 HB3 GLU 32 2HB GLU 32 -9.131 -9.672 6.601 191 HG3 GLU 32 2HG GLU 32 -8.711 -11.089 4.709 192 H CYS 33 H CYS 33 -10.311 -5.925 7.062 193 HA CYS 33 HA CYS 33 -12.165 -7.430 8.790 194 HB3 CYS 33 2HB CYS 33 -9.997 -6.687 9.855 195 H GLY 34 H GLY 34 -11.575 -4.507 6.981 196 HA2 GLY 34 1HA GLY 34 -13.802 -3.668 6.055 197 HA3 GLY 34 2HA GLY 34 -14.240 -3.503 7.750 198 H HIS 35 H HIS 35 -12.084 -2.395 8.907 199 HA HIS 35 HA HIS 35 -12.299 0.290 8.458 200 HB3 HIS 35 2HB HIS 35 -10.078 0.516 9.583 201 HD2 HIS 35 2HD HIS 35 -12.246 1.306 11.334 202 HE1 HIS 35 1HE HIS 35 -12.276 -2.420 13.362 203 HE2 HIS 35 2HE HIS 35 -13.134 -0.052 13.348 204 H ARG 36 H ARG 36 -10.363 1.750 7.789 205 HA ARG 36 HA ARG 36 -9.035 0.751 5.383 206 HB3 ARG 36 2HB ARG 36 -9.694 2.938 4.234 207 HG3 ARG 36 2HG ARG 36 -11.471 0.620 4.685 208 HD3 ARG 36 2HD ARG 36 -12.573 2.586 2.823 209 HE ARG 36 HE ARG 36 -14.192 1.029 3.224 210 HH11 ARG 36 1HH1 ARG 36 -12.791 1.996 6.261 211 HH12 ARG 36 2HH1 ARG 36 -13.925 1.102 7.218 212 HH21 ARG 36 1HH2 ARG 36 -15.691 -0.152 4.474 213 HH22 ARG 36 2HH2 ARG 36 -15.574 -0.121 6.200 214 H PHE 37 H PHE 37 -7.272 2.107 4.663 215 HA PHE 37 HA PHE 37 -6.360 4.122 6.576 216 HB3 PHE 37 2HB PHE 37 -4.029 3.049 6.394 217 HD1 PHE 37 1HD PHE 37 -6.419 0.410 7.307 218 HD2 PHE 37 2HD PHE 37 -4.067 3.679 8.688 219 HE1 PHE 37 1HE PHE 37 -6.836 -0.276 9.633 220 HE2 PHE 37 2HE PHE 37 -4.479 2.996 11.016 221 HZ PHE 37 HZ PHE 37 -5.864 1.016 11.491 222 H CYS 38 H CYS 38 -4.279 5.179 5.721 223 HA CYS 38 HA CYS 38 -4.749 5.828 2.912 224 HB3 CYS 38 2HB CYS 38 -4.581 7.629 4.657 225 H GLU 39 H GLU 39 -2.890 6.137 1.470 226 HA GLU 39 HA GLU 39 -1.409 3.924 1.008 227 HB3 GLU 39 2HB GLU 39 0.350 5.865 0.184 228 HG3 GLU 39 2HG GLU 39 -2.128 5.513 -1.418 229 H SER 40 H SER 40 -0.320 6.715 2.925 230 HA SER 40 HA SER 40 2.212 5.718 3.581 231 HB3 SER 40 2HB SER 40 1.981 7.300 5.591 232 HG SER 40 HG SER 40 1.301 8.802 3.385 233 H CYS 41 H CYS 41 -0.131 6.201 6.164 234 HA CYS 41 HA CYS 41 0.729 4.482 8.005 235 HB3 CYS 41 2HB CYS 41 -1.613 4.131 8.738 236 H MET 42 H MET 42 -1.252 3.516 5.225 237 HA MET 42 HA MET 42 -1.584 0.830 5.825 238 HB3 MET 42 2HB MET 42 -1.344 2.279 3.197 239 HG3 MET 42 2HG MET 42 -0.669 -0.021 2.770 240 HE1 MET 42 3HE MET 42 -3.421 0.069 5.611 241 HE2 MET 42 1HE MET 42 -4.235 0.313 4.065 242 HE3 MET 42 2HE MET 42 -4.517 -1.164 4.985 243 H ALA 43 H ALA 43 0.960 2.268 3.777 244 HA ALA 43 HA ALA 43 2.428 -0.082 3.389 245 HB1 ALA 43 3HB ALA 43 3.426 1.323 1.989 246 HB2 ALA 43 1HB ALA 43 2.749 2.719 2.829 247 HB3 ALA 43 2HB ALA 43 4.275 2.019 3.369 248 H ALA 44 H ALA 44 2.268 2.087 6.090 249 HA ALA 44 HA ALA 44 4.726 1.352 7.316 250 HB1 ALA 44 3HB ALA 44 2.489 2.254 9.026 251 HB2 ALA 44 1HB ALA 44 4.163 2.805 8.958 252 HB3 ALA 44 2HB ALA 44 3.005 3.351 7.747 253 H LEU 45 H LEU 45 1.355 0.470 8.095 254 HA LEU 45 HA LEU 45 1.920 -1.404 10.068 255 HB3 LEU 45 2HB LEU 45 -0.303 -2.291 9.664 256 HG LEU 45 HG LEU 45 -0.290 0.702 9.293 257 HD11 LEU 45 1HD1 LEU 45 -2.595 0.677 9.960 258 HD12 LEU 45 2HD1 LEU 45 -2.563 -1.075 10.161 259 HD13 LEU 45 3HD1 LEU 45 -2.401 -0.369 8.552 260 HD21 LEU 45 3HD2 LEU 45 0.079 0.865 11.481 261 HD22 LEU 45 1HD2 LEU 45 0.485 -0.852 11.461 262 HD23 LEU 45 2HD2 LEU 45 -1.158 -0.339 11.847 263 H LEU 46 H LEU 46 1.305 -1.981 6.605 264 HA LEU 46 HA LEU 46 1.639 -4.714 6.542 265 HB3 LEU 46 2HB LEU 46 2.229 -4.472 4.199 266 HG LEU 46 HG LEU 46 0.147 -2.465 5.044 267 HD11 LEU 46 1HD1 LEU 46 -0.593 -2.644 2.644 268 HD12 LEU 46 2HD1 LEU 46 0.979 -3.362 2.296 269 HD13 LEU 46 3HD1 LEU 46 0.880 -1.716 2.922 270 HD21 LEU 46 3HD2 LEU 46 -0.413 -4.754 5.573 271 HD22 LEU 46 1HD2 LEU 46 -0.011 -5.264 3.933 272 HD23 LEU 46 2HD2 LEU 46 -1.394 -4.204 4.214 273 H SER 47 H SER 47 4.064 -2.212 6.773 274 HA SER 47 HA SER 47 6.250 -4.069 6.343 275 HB3 SER 47 2HB SER 47 6.426 -1.194 7.265 276 HG SER 47 HG SER 47 8.468 -1.398 6.158 277 H SER 48 H SER 48 4.343 -4.310 8.645 278 HA SER 48 HA SER 48 6.259 -4.054 10.865 279 HB3 SER 48 2HB SER 48 3.271 -4.460 11.085 280 HG SER 48 HG SER 48 5.342 -3.809 12.886 281 H SER 49 H SER 49 5.701 -6.243 8.723 282 HA SER 49 HA SER 49 6.058 -8.498 8.657 283 HB3 SER 49 2HB SER 49 6.064 -8.930 11.578 284 HG SER 49 HG SER 49 8.001 -9.429 9.564 285 H SER 50 H SER 50 4.193 -7.949 11.649 286 HA SER 50 HA SER 50 2.123 -9.744 10.572 287 HB3 SER 50 2HB SER 50 1.448 -9.859 13.074 288 HG SER 50 HG SER 50 2.382 -11.642 12.147 289 HA PRO 51 HA PRO 51 0.323 -5.439 10.769 290 HB3 PRO 51 2HB PRO 51 0.971 -4.941 8.621 291 HG3 PRO 51 2HG PRO 51 1.424 -6.627 7.084 292 HD3 PRO 51 2HD PRO 51 2.702 -7.355 8.859 293 H LYS 52 H LYS 52 -1.567 -5.394 11.793 294 HA LYS 52 HA LYS 52 -3.629 -7.361 11.050 295 HB3 LYS 52 2HB LYS 52 -4.462 -7.257 13.270 296 HG3 LYS 52 2HG LYS 52 -1.487 -7.375 13.148 297 HD3 LYS 52 2HD LYS 52 -2.907 -7.999 15.698 298 HE3 LYS 52 2HE LYS 52 -0.255 -6.779 15.733 299 HZ1 LYS 52 3HZ LYS 52 0.192 -8.799 17.068 300 HZ2 LYS 52 1HZ LYS 52 -1.395 -9.313 16.781 301 HZ3 LYS 52 2HZ LYS 52 -1.111 -7.888 17.648 302 H CYS 53 H CYS 53 -3.671 -4.188 12.670 303 HA CYS 53 HA CYS 53 -4.719 -2.546 10.824 304 HB3 CYS 53 2HB CYS 53 -6.810 -4.472 11.762 305 H THR 54 H THR 54 -3.896 -0.971 12.116 306 HA THR 54 HA THR 54 -3.853 -0.537 14.735 307 HB THR 54 HB THR 54 -3.887 1.200 12.459 308 HG1 THR 54 1HG THR 54 -2.139 0.968 13.898 309 HG21 THR 54 3HG2 THR 54 -5.984 2.096 13.210 310 HG22 THR 54 1HG2 THR 54 -4.718 3.252 13.623 311 HG23 THR 54 2HG2 THR 54 -5.398 2.207 14.869 312 H ALA 55 H ALA 55 -6.743 -0.108 12.744 313 HA ALA 55 HA ALA 55 -8.458 1.030 14.592 314 HB1 ALA 55 3HB ALA 55 -8.698 0.022 12.040 315 HB2 ALA 55 1HB ALA 55 -9.773 -1.007 12.988 316 HB3 ALA 55 2HB ALA 55 -9.991 0.743 12.998 317 H CYS 56 H CYS 56 -8.759 -2.408 13.754 318 HA CYS 56 HA CYS 56 -9.283 -2.959 16.601 319 HB3 CYS 56 2HB CYS 56 -11.269 -3.325 15.265 320 H GLN 57 H GLN 57 -7.476 -3.853 13.775 321 HA GLN 57 HA GLN 57 -5.481 -5.001 13.673 322 HB3 GLN 57 2HB GLN 57 -4.422 -5.846 15.574 323 HG3 GLN 57 2HG GLN 57 -5.795 -4.275 17.467 324 HE21 GLN 57 1HE2 GLN 57 -3.403 -4.356 14.890 325 HE22 GLN 57 2HE2 GLN 57 -2.121 -3.648 15.807 326 H GLU 58 H GLU 58 -6.294 -6.314 12.069 327 HA GLU 58 HA GLU 58 -7.168 -8.977 12.960 328 HB3 GLU 58 2HB GLU 58 -8.358 -8.616 10.472 329 HG3 GLU 58 2HG GLU 58 -10.471 -8.628 11.622 330 H SER 59 H SER 59 -6.329 -7.311 9.917 331 HA SER 59 HA SER 59 -3.889 -8.583 9.491 332 HB3 SER 59 2HB SER 59 -5.827 -9.898 7.657 333 HG SER 59 HG SER 59 -3.764 -10.493 7.333 334 H ILE 60 H ILE 60 -2.875 -7.361 8.048 335 HA ILE 60 HA ILE 60 -4.480 -6.016 5.974 336 HB ILE 60 HB ILE 60 -1.940 -4.764 6.865 337 HG13 ILE 60 2HG1 ILE 60 -3.171 -5.429 8.964 338 HG21 ILE 60 1HG2 ILE 60 -4.240 -4.087 5.316 339 HG22 ILE 60 2HG2 ILE 60 -4.083 -2.945 6.650 340 HG23 ILE 60 3HG2 ILE 60 -2.741 -3.183 5.530 341 HD11 ILE 60 3HD1 ILE 60 -3.473 -2.529 9.045 342 HD12 ILE 60 1HD1 ILE 60 -2.483 -3.600 10.036 343 HD13 ILE 60 2HD1 ILE 60 -1.903 -3.074 8.455 344 H VAL 61 H VAL 61 -4.037 -6.975 4.098 345 HA VAL 61 HA VAL 61 -1.211 -7.378 3.383 346 HB VAL 61 HB VAL 61 -3.476 -9.313 2.901 347 HG11 VAL 61 1HG1 VAL 61 -2.467 -9.808 0.973 348 HG12 VAL 61 2HG1 VAL 61 -1.052 -8.832 1.370 349 HG13 VAL 61 3HG1 VAL 61 -1.171 -10.492 1.955 350 HG21 VAL 61 3HG2 VAL 61 -1.471 -10.774 3.925 351 HG22 VAL 61 1HG2 VAL 61 -1.128 -9.221 4.689 352 HG23 VAL 61 2HG2 VAL 61 -2.699 -9.989 4.918 353 H LYS 62 H LYS 62 -0.706 -6.246 1.639 354 HA LYS 62 HA LYS 62 -2.326 -4.659 0.141 355 HB3 LYS 62 2HB LYS 62 -0.021 -4.365 -0.167 356 HG3 LYS 62 2HG LYS 62 0.187 -7.216 -1.117 357 HD3 LYS 62 2HD LYS 62 2.064 -4.900 -1.092 358 HE3 LYS 62 2HE LYS 62 3.238 -6.351 0.376 359 HZ1 LYS 62 3HZ LYS 62 1.858 -8.358 -0.148 360 HZ2 LYS 62 1HZ LYS 62 3.513 -8.654 0.036 361 HZ3 LYS 62 2HZ LYS 62 2.831 -8.599 -1.511 362 H ASP 63 H ASP 63 -1.539 -8.050 -0.514 363 HA ASP 63 HA ASP 63 -2.902 -8.261 -2.964 364 HB3 ASP 63 2HB ASP 63 -2.903 -10.674 -1.279 365 H LYS 64 H LYS 64 -3.960 -8.777 0.369 366 HA LYS 64 HA LYS 64 -6.643 -9.477 -0.486 367 HB3 LYS 64 2HB LYS 64 -7.097 -9.964 1.787 368 HG3 LYS 64 2HG LYS 64 -4.988 -11.150 2.625 369 HD3 LYS 64 2HD LYS 64 -6.641 -11.702 0.258 370 HE3 LYS 64 2HE LYS 64 -4.321 -13.531 0.754 371 HZ1 LYS 64 3HZ LYS 64 -5.222 -13.393 -1.900 372 HZ2 LYS 64 1HZ LYS 64 -6.570 -13.569 -0.894 373 HZ3 LYS 64 2HZ LYS 64 -5.312 -14.696 -0.825 374 H VAL 65 H VAL 65 -4.983 -6.657 -0.146 375 HA VAL 65 HA VAL 65 -7.168 -5.105 0.996 376 HB VAL 65 HB VAL 65 -4.345 -4.735 0.752 377 HG11 VAL 65 1HG1 VAL 65 -4.925 -3.482 -1.301 378 HG12 VAL 65 2HG1 VAL 65 -5.954 -2.425 -0.331 379 HG13 VAL 65 3HG1 VAL 65 -4.212 -2.464 -0.049 380 HG21 VAL 65 3HG2 VAL 65 -5.043 -4.182 2.823 381 HG22 VAL 65 1HG2 VAL 65 -5.237 -2.577 2.119 382 HG23 VAL 65 2HG2 VAL 65 -6.628 -3.653 2.260 383 H PHE 66 H PHE 66 -8.210 -3.403 -0.110 384 HA PHE 66 HA PHE 66 -7.985 -3.486 -3.043 385 HB3 PHE 66 2HB PHE 66 -10.451 -3.213 -3.173 386 HD1 PHE 66 1HD PHE 66 -9.351 -5.589 -0.516 387 HD2 PHE 66 2HD PHE 66 -10.828 -5.064 -4.473 388 HE1 PHE 66 1HE PHE 66 -9.500 -8.031 -0.781 389 HE2 PHE 66 2HE PHE 66 -10.981 -7.505 -4.744 390 HZ PHE 66 HZ PHE 66 -10.317 -8.991 -2.896 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -49.063 19.040 -17.256 2 HA2 GLY 1 1HA GLY 1 -50.893 18.514 -15.247 3 HA3 GLY 1 2HA GLY 1 -50.911 17.747 -16.829 4 H SER 2 H SER 2 -50.476 15.627 -16.970 5 HA SER 2 HA SER 2 -48.814 14.213 -15.158 6 HB3 SER 2 2HB SER 2 -51.744 13.539 -14.878 7 HG SER 2 HG SER 2 -50.412 11.897 -14.213 8 H SER 3 H SER 3 -48.128 13.807 -17.404 9 HA SER 3 HA SER 3 -49.750 11.738 -18.728 10 HB3 SER 3 2HB SER 3 -47.926 12.361 -20.610 11 HG SER 3 HG SER 3 -50.226 12.527 -20.792 12 H GLY 4 H GLY 4 -48.445 10.780 -16.602 13 HA2 GLY 4 1HA GLY 4 -47.255 8.743 -16.366 14 HA3 GLY 4 2HA GLY 4 -46.382 9.113 -17.847 15 H SER 5 H SER 5 -44.355 9.785 -17.639 16 HA SER 5 HA SER 5 -42.422 10.583 -16.741 17 HB3 SER 5 2HB SER 5 -44.517 12.251 -15.543 18 HG SER 5 HG SER 5 -43.095 13.134 -13.979 19 H SER 6 H SER 6 -41.098 10.599 -14.683 20 HA SER 6 HA SER 6 -42.084 8.717 -12.670 21 HB3 SER 6 2HB SER 6 -40.922 7.302 -14.267 22 HG SER 6 HG SER 6 -38.535 8.723 -13.817 23 H GLY 7 H GLY 7 -40.123 8.419 -10.995 24 HA2 GLY 7 1HA GLY 7 -39.561 11.135 -10.091 25 HA3 GLY 7 2HA GLY 7 -39.391 9.666 -9.143 26 H PHE 8 H PHE 8 -37.457 11.676 -9.172 27 HA PHE 8 HA PHE 8 -35.335 10.846 -10.963 28 HB3 PHE 8 2HB PHE 8 -34.357 12.830 -10.478 29 HD1 PHE 8 1HD PHE 8 -36.896 12.894 -11.728 30 HD2 PHE 8 2HD PHE 8 -35.764 14.508 -7.955 31 HE1 PHE 8 1HE PHE 8 -38.715 14.543 -11.891 32 HE2 PHE 8 2HE PHE 8 -37.581 16.158 -8.112 33 HZ PHE 8 HZ PHE 8 -39.061 16.177 -10.081 34 H VAL 9 H VAL 9 -33.142 10.400 -10.054 35 HA VAL 9 HA VAL 9 -33.370 8.665 -7.682 36 HB VAL 9 HB VAL 9 -32.894 7.370 -9.677 37 HG11 VAL 9 1HG1 VAL 9 -31.867 8.559 -11.297 38 HG12 VAL 9 2HG1 VAL 9 -30.943 9.528 -10.148 39 HG13 VAL 9 3HG1 VAL 9 -30.407 7.899 -10.563 40 HG21 VAL 9 3HG2 VAL 9 -31.540 7.212 -7.332 41 HG22 VAL 9 1HG2 VAL 9 -31.409 6.037 -8.642 42 HG23 VAL 9 2HG2 VAL 9 -30.209 7.320 -8.485 43 H LYS 10 H LYS 10 -31.878 8.826 -6.065 44 HA LYS 10 HA LYS 10 -29.728 10.807 -6.387 45 HB3 LYS 10 2HB LYS 10 -30.375 11.096 -3.756 46 HG3 LYS 10 2HG LYS 10 -30.180 12.809 -5.750 47 HD3 LYS 10 2HD LYS 10 -33.057 12.165 -5.583 48 HE3 LYS 10 2HE LYS 10 -32.637 14.921 -6.416 49 HZ1 LYS 10 3HZ LYS 10 -34.745 13.473 -5.755 50 HZ2 LYS 10 1HZ LYS 10 -34.725 15.160 -5.632 51 HZ3 LYS 10 2HZ LYS 10 -34.459 14.209 -4.258 52 H THR 11 H THR 11 -27.893 9.707 -6.202 53 HA THR 11 HA THR 11 -27.754 7.350 -4.495 54 HB THR 11 HB THR 11 -25.240 8.086 -5.737 55 HG1 THR 11 1HG THR 11 -27.375 7.583 -7.545 56 HG21 THR 11 3HG2 THR 11 -27.001 5.743 -6.405 57 HG22 THR 11 1HG2 THR 11 -26.097 5.825 -4.894 58 HG23 THR 11 2HG2 THR 11 -25.240 5.842 -6.436 59 H VAL 12 H VAL 12 -26.706 7.246 -2.594 60 HA VAL 12 HA VAL 12 -25.930 9.643 -1.277 61 HB VAL 12 HB VAL 12 -25.477 6.773 -0.449 62 HG11 VAL 12 1HG1 VAL 12 -24.963 7.541 1.710 63 HG12 VAL 12 2HG1 VAL 12 -24.035 8.581 0.627 64 HG13 VAL 12 3HG1 VAL 12 -25.528 9.174 1.356 65 HG21 VAL 12 3HG2 VAL 12 -27.604 8.634 0.569 66 HG22 VAL 12 1HG2 VAL 12 -27.865 7.590 -0.829 67 HG23 VAL 12 2HG2 VAL 12 -27.497 6.881 0.744 68 H GLU 13 H GLU 13 -24.224 10.618 -2.325 69 HA GLU 13 HA GLU 13 -21.810 9.128 -2.901 70 HB3 GLU 13 2HB GLU 13 -20.957 11.272 -3.757 71 HG3 GLU 13 2HG GLU 13 -23.282 11.755 -5.148 72 H ASP 14 H ASP 14 -20.407 8.679 -1.347 73 HA ASP 14 HA ASP 14 -19.873 10.729 0.700 74 HB3 ASP 14 2HB ASP 14 -21.160 8.502 1.349 75 H LYS 15 H LYS 15 -17.812 9.240 1.971 76 HA LYS 15 HA LYS 15 -15.821 8.648 -0.050 77 HB3 LYS 15 2HB LYS 15 -15.522 11.008 0.005 78 HG3 LYS 15 2HG LYS 15 -15.046 11.091 2.943 79 HD3 LYS 15 2HD LYS 15 -16.264 13.169 1.148 80 HE3 LYS 15 2HE LYS 15 -14.780 13.201 3.767 81 HZ1 LYS 15 3HZ LYS 15 -14.149 15.277 3.405 82 HZ2 LYS 15 1HZ LYS 15 -15.719 15.740 2.975 83 HZ3 LYS 15 2HZ LYS 15 -14.658 15.150 1.797 84 H TYR 16 H TYR 16 -13.581 8.402 1.234 85 HA TYR 16 HA TYR 16 -14.199 6.787 3.621 86 HB3 TYR 16 2HB TYR 16 -12.416 5.287 3.019 87 HD1 TYR 16 2HD TYR 16 -13.271 6.527 -0.344 88 HD2 TYR 16 1HD TYR 16 -14.232 3.754 2.737 89 HE1 TYR 16 2HE TYR 16 -14.725 5.304 -1.906 90 HE2 TYR 16 1HE TYR 16 -15.689 2.524 1.183 91 HH TYR 16 HH TYR 16 -15.681 3.097 -2.185 92 H LYS 17 H LYS 17 -12.217 6.469 5.047 93 HA LYS 17 HA LYS 17 -10.335 8.678 5.043 94 HB3 LYS 17 2HB LYS 17 -12.538 8.381 7.045 95 HG3 LYS 17 2HG LYS 17 -10.820 10.212 8.185 96 HD3 LYS 17 2HD LYS 17 -10.429 8.069 9.755 97 HE3 LYS 17 2HE LYS 17 -12.370 10.162 9.541 98 HZ1 LYS 17 3HZ LYS 17 -14.222 9.223 10.595 99 HZ2 LYS 17 1HZ LYS 17 -13.433 7.757 10.898 100 HZ3 LYS 17 2HZ LYS 17 -13.880 8.167 9.318 101 H CYS 18 H CYS 18 -8.444 8.208 6.086 102 HA CYS 18 HA CYS 18 -7.820 5.504 6.561 103 HB3 CYS 18 2HB CYS 18 -6.359 8.056 7.251 104 H GLU 19 H GLU 19 -7.612 4.311 8.404 105 HA GLU 19 HA GLU 19 -9.033 5.289 10.732 106 HB3 GLU 19 2HB GLU 19 -8.292 2.858 11.514 107 HG3 GLU 19 2HG GLU 19 -10.293 1.956 10.734 108 H LYS 20 H LYS 20 -6.377 6.392 10.000 109 HA LYS 20 HA LYS 20 -5.072 5.926 12.591 110 HB3 LYS 20 2HB LYS 20 -3.104 6.561 10.601 111 HG3 LYS 20 2HG LYS 20 -3.584 4.265 12.457 112 HD3 LYS 20 2HD LYS 20 -1.238 4.519 10.581 113 HE3 LYS 20 2HE LYS 20 -0.324 2.743 11.627 114 HZ1 LYS 20 3HZ LYS 20 -0.859 2.640 13.995 115 HZ2 LYS 20 1HZ LYS 20 -2.240 3.580 13.735 116 HZ3 LYS 20 2HZ LYS 20 -0.707 4.238 13.465 117 H CYS 21 H CYS 21 -4.715 7.979 9.692 118 HA CYS 21 HA CYS 21 -4.334 10.290 11.457 119 HB3 CYS 21 2HB CYS 21 -2.563 10.075 9.872 120 H HIS 22 H HIS 22 -6.836 8.796 10.075 121 HA HIS 22 HA HIS 22 -8.953 9.388 9.488 122 HB3 HIS 22 2HB HIS 22 -9.833 10.871 10.922 123 HD2 HIS 22 2HD HIS 22 -7.678 9.148 12.499 124 HE1 HIS 22 1HE HIS 22 -6.378 12.809 14.204 125 HE2 HIS 22 2HE HIS 22 -6.283 10.296 14.350 126 H LEU 23 H LEU 23 -6.635 9.925 7.682 127 HA LEU 23 HA LEU 23 -7.174 12.293 6.207 128 HB3 LEU 23 2HB LEU 23 -5.916 10.700 4.415 129 HG LEU 23 HG LEU 23 -3.710 11.348 5.767 130 HD11 LEU 23 1HD1 LEU 23 -3.925 13.625 4.677 131 HD12 LEU 23 2HD1 LEU 23 -5.535 13.118 4.164 132 HD13 LEU 23 3HD1 LEU 23 -4.115 12.225 3.620 133 HD21 LEU 23 3HD2 LEU 23 -5.524 13.530 6.692 134 HD22 LEU 23 1HD2 LEU 23 -3.933 13.056 7.290 135 HD23 LEU 23 2HD2 LEU 23 -5.346 12.074 7.673 136 H VAL 24 H VAL 24 -8.951 12.657 5.068 137 HA VAL 24 HA VAL 24 -10.741 10.605 4.253 138 HB VAL 24 HB VAL 24 -10.634 13.501 3.395 139 HG11 VAL 24 1HG1 VAL 24 -12.711 13.265 2.420 140 HG12 VAL 24 2HG1 VAL 24 -11.952 11.726 2.006 141 HG13 VAL 24 3HG1 VAL 24 -13.098 11.814 3.344 142 HG21 VAL 24 3HG2 VAL 24 -10.898 13.352 5.776 143 HG22 VAL 24 1HG2 VAL 24 -12.460 13.765 5.068 144 HG23 VAL 24 2HG2 VAL 24 -12.145 12.116 5.607 145 H LEU 25 H LEU 25 -10.450 9.267 2.606 146 HA LEU 25 HA LEU 25 -9.111 10.283 0.186 147 HB3 LEU 25 2HB LEU 25 -7.608 8.665 0.317 148 HG LEU 25 HG LEU 25 -8.969 8.073 2.896 149 HD11 LEU 25 1HD1 LEU 25 -8.145 5.947 1.431 150 HD12 LEU 25 2HD1 LEU 25 -8.146 6.008 3.193 151 HD13 LEU 25 3HD1 LEU 25 -6.665 6.357 2.299 152 HD21 LEU 25 3HD2 LEU 25 -6.153 8.745 2.056 153 HD22 LEU 25 1HD2 LEU 25 -6.652 8.423 3.717 154 HD23 LEU 25 2HD2 LEU 25 -7.313 9.811 2.852 155 H CYS 26 H CYS 26 -9.634 8.883 -1.771 156 HA CYS 26 HA CYS 26 -12.528 8.385 -1.780 157 HB3 CYS 26 2HB CYS 26 -11.296 8.391 -4.400 158 H SER 27 H SER 27 -9.428 6.916 -2.373 159 HA SER 27 HA SER 27 -10.777 4.336 -2.761 160 HB3 SER 27 2HB SER 27 -10.040 5.104 -4.972 161 HG SER 27 HG SER 27 -8.228 6.367 -4.087 162 HA PRO 28 HA PRO 28 -7.635 4.148 0.633 163 HB3 PRO 28 2HB PRO 28 -9.259 4.486 2.223 164 HG3 PRO 28 2HG PRO 28 -11.489 4.001 1.782 165 HD3 PRO 28 2HD PRO 28 -10.983 5.267 -0.077 166 H LYS 29 H LYS 29 -7.537 1.857 2.104 167 HA LYS 29 HA LYS 29 -7.291 -0.279 0.088 168 HB3 LYS 29 2HB LYS 29 -5.244 -1.007 1.075 169 HG3 LYS 29 2HG LYS 29 -3.752 0.916 0.937 170 HD3 LYS 29 2HD LYS 29 -5.821 1.412 -1.164 171 HE3 LYS 29 2HE LYS 29 -3.443 2.417 -1.052 172 HZ1 LYS 29 3HZ LYS 29 -1.735 1.033 -1.144 173 HZ2 LYS 29 1HZ LYS 29 -2.327 0.320 -2.559 174 HZ3 LYS 29 2HZ LYS 29 -2.787 -0.288 -1.048 175 H GLN 30 H GLN 30 -9.613 -0.277 1.295 176 HA GLN 30 HA GLN 30 -10.182 -1.168 3.739 177 HB3 GLN 30 2HB GLN 30 -11.394 -2.937 1.733 178 HG3 GLN 30 2HG GLN 30 -12.450 -0.890 3.660 179 HE21 GLN 30 1HE2 GLN 30 -14.853 -2.099 4.090 180 HE22 GLN 30 2HE2 GLN 30 -15.851 -1.945 2.688 181 H THR 31 H THR 31 -9.098 -2.505 5.021 182 HA THR 31 HA THR 31 -7.461 -4.624 4.094 183 HB THR 31 HB THR 31 -7.059 -5.163 6.387 184 HG1 THR 31 1HG THR 31 -9.502 -3.802 6.816 185 HG21 THR 31 3HG2 THR 31 -7.541 -2.193 6.410 186 HG22 THR 31 1HG2 THR 31 -6.242 -2.930 5.475 187 HG23 THR 31 2HG2 THR 31 -6.272 -3.102 7.230 188 H GLU 32 H GLU 32 -7.968 -6.730 5.817 189 HA GLU 32 HA GLU 32 -10.250 -7.952 4.488 190 HB3 GLU 32 2HB GLU 32 -8.767 -9.557 6.453 191 HG3 GLU 32 2HG GLU 32 -8.383 -10.822 4.148 192 H CYS 33 H CYS 33 -10.230 -5.971 6.894 193 HA CYS 33 HA CYS 33 -12.056 -7.554 8.583 194 HB3 CYS 33 2HB CYS 33 -9.890 -6.775 9.660 195 H GLY 34 H GLY 34 -11.513 -4.588 6.835 196 HA2 GLY 34 1HA GLY 34 -13.753 -3.771 5.921 197 HA3 GLY 34 2HA GLY 34 -14.193 -3.641 7.618 198 H HIS 35 H HIS 35 -12.036 -2.525 8.785 199 HA HIS 35 HA HIS 35 -12.299 0.168 8.380 200 HB3 HIS 35 2HB HIS 35 -10.060 0.396 9.495 201 HD2 HIS 35 2HD HIS 35 -12.122 1.246 11.298 202 HE1 HIS 35 1HE HIS 35 -12.375 -2.519 13.236 203 HE2 HIS 35 2HE HIS 35 -13.086 -0.104 13.283 204 H ARG 36 H ARG 36 -10.411 1.676 7.724 205 HA ARG 36 HA ARG 36 -9.073 0.727 5.296 206 HB3 ARG 36 2HB ARG 36 -9.735 2.972 4.233 207 HG3 ARG 36 2HG ARG 36 -11.484 0.610 4.565 208 HD3 ARG 36 2HD ARG 36 -12.575 2.635 2.759 209 HE ARG 36 HE ARG 36 -14.111 0.955 3.072 210 HH11 ARG 36 1HH1 ARG 36 -13.045 2.161 6.160 211 HH12 ARG 36 2HH1 ARG 36 -14.251 1.300 7.058 212 HH21 ARG 36 1HH2 ARG 36 -15.703 -0.183 4.244 213 HH22 ARG 36 2HH2 ARG 36 -15.761 -0.034 5.969 214 H PHE 37 H PHE 37 -7.330 2.130 4.586 215 HA PHE 37 HA PHE 37 -6.401 4.097 6.534 216 HB3 PHE 37 2HB PHE 37 -4.075 3.014 6.362 217 HD1 PHE 37 2HD PHE 37 -6.550 0.423 7.228 218 HD2 PHE 37 1HD PHE 37 -4.066 3.567 8.660 219 HE1 PHE 37 2HE PHE 37 -6.990 -0.289 9.541 220 HE2 PHE 37 1HE PHE 37 -4.500 2.860 10.977 221 HZ PHE 37 HZ PHE 37 -5.965 0.930 11.419 222 H CYS 38 H CYS 38 -4.325 5.166 5.701 223 HA CYS 38 HA CYS 38 -4.767 5.825 2.891 224 HB3 CYS 38 2HB CYS 38 -4.613 7.611 4.661 225 H GLU 39 H GLU 39 -2.908 6.126 1.459 226 HA GLU 39 HA GLU 39 -1.419 3.922 1.000 227 HB3 GLU 39 2HB GLU 39 0.355 5.753 0.128 228 HG3 GLU 39 2HG GLU 39 -2.168 5.864 -1.383 229 H SER 40 H SER 40 -0.291 6.719 2.893 230 HA SER 40 HA SER 40 2.214 5.705 3.583 231 HB3 SER 40 2HB SER 40 1.751 7.240 5.712 232 HG SER 40 HG SER 40 1.970 8.191 3.046 233 H CYS 41 H CYS 41 -0.159 6.168 6.145 234 HA CYS 41 HA CYS 41 0.687 4.442 7.987 235 HB3 CYS 41 2HB CYS 41 -1.666 4.069 8.682 236 H MET 42 H MET 42 -1.115 3.501 5.098 237 HA MET 42 HA MET 42 -1.479 0.795 5.705 238 HB3 MET 42 2HB MET 42 -1.191 2.218 3.060 239 HG3 MET 42 2HG MET 42 -0.800 -0.417 3.203 240 HE1 MET 42 3HE MET 42 -2.376 -1.031 5.499 241 HE2 MET 42 1HE MET 42 -3.391 0.394 5.282 242 HE3 MET 42 2HE MET 42 -4.128 -1.205 5.390 243 H ALA 43 H ALA 43 1.063 2.301 3.704 244 HA ALA 43 HA ALA 43 2.565 -0.038 3.319 245 HB1 ALA 43 3HB ALA 43 2.957 2.837 2.894 246 HB2 ALA 43 1HB ALA 43 4.441 1.918 3.147 247 HB3 ALA 43 2HB ALA 43 3.337 1.469 1.846 248 H ALA 44 H ALA 44 2.160 1.900 6.083 249 HA ALA 44 HA ALA 44 4.707 1.290 7.292 250 HB1 ALA 44 3HB ALA 44 2.525 3.066 7.824 251 HB2 ALA 44 1HB ALA 44 2.910 2.142 9.276 252 HB3 ALA 44 2HB ALA 44 4.165 3.087 8.474 253 H LEU 45 H LEU 45 1.337 0.497 8.170 254 HA LEU 45 HA LEU 45 1.852 -1.355 10.141 255 HB3 LEU 45 2HB LEU 45 -0.352 -2.292 9.665 256 HG LEU 45 HG LEU 45 -0.355 0.705 9.316 257 HD11 LEU 45 1HD1 LEU 45 -2.678 0.632 9.974 258 HD12 LEU 45 2HD1 LEU 45 -2.621 -1.127 10.090 259 HD13 LEU 45 3HD1 LEU 45 -2.439 -0.340 8.521 260 HD21 LEU 45 3HD2 LEU 45 0.260 -0.960 11.527 261 HD22 LEU 45 1HD2 LEU 45 -1.294 -0.189 11.842 262 HD23 LEU 45 2HD2 LEU 45 0.122 0.798 11.480 263 H LEU 46 H LEU 46 1.298 -2.054 6.687 264 HA LEU 46 HA LEU 46 1.684 -4.782 6.726 265 HB3 LEU 46 2HB LEU 46 2.274 -4.620 4.382 266 HG LEU 46 HG LEU 46 0.161 -2.632 5.179 267 HD11 LEU 46 1HD1 LEU 46 -0.512 -2.498 2.872 268 HD12 LEU 46 2HD1 LEU 46 0.793 -3.581 2.389 269 HD13 LEU 46 3HD1 LEU 46 1.167 -1.976 3.018 270 HD21 LEU 46 3HD2 LEU 46 -1.365 -4.319 4.711 271 HD22 LEU 46 1HD2 LEU 46 -0.044 -5.187 5.493 272 HD23 LEU 46 2HD2 LEU 46 -0.211 -5.231 3.737 273 H SER 47 H SER 47 4.046 -2.236 6.961 274 HA SER 47 HA SER 47 6.276 -4.068 6.599 275 HB3 SER 47 2HB SER 47 6.908 -1.377 7.574 276 HG SER 47 HG SER 47 7.606 -2.177 5.029 277 H SER 48 H SER 48 4.369 -4.294 8.876 278 HA SER 48 HA SER 48 6.242 -3.874 11.110 279 HB3 SER 48 2HB SER 48 3.230 -4.167 11.114 280 HG SER 48 HG SER 48 3.899 -3.396 13.437 281 H SER 49 H SER 49 5.805 -6.164 9.059 282 HA SER 49 HA SER 49 6.241 -8.405 9.098 283 HB3 SER 49 2HB SER 49 7.205 -9.386 10.966 284 HG SER 49 HG SER 49 8.437 -7.806 11.949 285 H SER 50 H SER 50 4.239 -7.772 11.985 286 HA SER 50 HA SER 50 2.262 -9.671 10.906 287 HB3 SER 50 2HB SER 50 1.661 -9.324 13.599 288 HG SER 50 HG SER 50 3.418 -11.366 12.886 289 HA PRO 51 HA PRO 51 0.342 -5.417 10.934 290 HB3 PRO 51 2HB PRO 51 1.025 -4.970 8.786 291 HG3 PRO 51 2HG PRO 51 1.557 -6.689 7.314 292 HD3 PRO 51 2HD PRO 51 2.812 -7.327 9.140 293 H LYS 52 H LYS 52 -1.573 -5.389 11.911 294 HA LYS 52 HA LYS 52 -3.573 -7.420 11.166 295 HB3 LYS 52 2HB LYS 52 -4.358 -7.452 13.356 296 HG3 LYS 52 2HG LYS 52 -1.402 -7.010 13.404 297 HD3 LYS 52 2HD LYS 52 -2.975 -7.863 15.820 298 HE3 LYS 52 2HE LYS 52 -0.672 -6.771 16.701 299 HZ1 LYS 52 3HZ LYS 52 -1.024 -8.847 17.502 300 HZ2 LYS 52 1HZ LYS 52 0.183 -9.230 16.382 301 HZ3 LYS 52 2HZ LYS 52 -1.442 -9.499 15.998 302 H CYS 53 H CYS 53 -3.700 -4.232 12.754 303 HA CYS 53 HA CYS 53 -4.758 -2.632 10.878 304 HB3 CYS 53 2HB CYS 53 -6.823 -4.587 11.815 305 H THR 54 H THR 54 -3.993 -1.017 12.151 306 HA THR 54 HA THR 54 -3.984 -0.555 14.767 307 HB THR 54 HB THR 54 -4.047 1.158 12.468 308 HG1 THR 54 1HG THR 54 -3.124 1.544 15.140 309 HG21 THR 54 3HG2 THR 54 -4.907 3.204 13.606 310 HG22 THR 54 1HG2 THR 54 -5.542 2.172 14.888 311 HG23 THR 54 2HG2 THR 54 -6.160 2.017 13.242 312 H ALA 55 H ALA 55 -6.855 -0.107 12.737 313 HA ALA 55 HA ALA 55 -8.608 0.981 14.562 314 HB1 ALA 55 3HB ALA 55 -8.795 -0.127 12.012 315 HB2 ALA 55 1HB ALA 55 -9.943 -1.038 12.994 316 HB3 ALA 55 2HB ALA 55 -10.061 0.719 12.901 317 H CYS 56 H CYS 56 -8.922 -2.451 13.721 318 HA CYS 56 HA CYS 56 -9.449 -3.006 16.566 319 HB3 CYS 56 2HB CYS 56 -11.410 -3.378 15.175 320 H GLN 57 H GLN 57 -7.634 -3.925 13.744 321 HA GLN 57 HA GLN 57 -5.630 -5.060 13.655 322 HB3 GLN 57 2HB GLN 57 -4.549 -5.835 15.564 323 HG3 GLN 57 2HG GLN 57 -6.025 -4.282 17.426 324 HE21 GLN 57 1HE2 GLN 57 -3.504 -4.347 14.969 325 HE22 GLN 57 2HE2 GLN 57 -2.270 -3.648 15.955 326 H GLU 58 H GLU 58 -6.177 -6.512 12.124 327 HA GLU 58 HA GLU 58 -7.113 -9.127 13.053 328 HB3 GLU 58 2HB GLU 58 -8.354 -8.957 10.626 329 HG3 GLU 58 2HG GLU 58 -10.117 -7.891 12.639 330 H SER 59 H SER 59 -6.182 -7.426 10.056 331 HA SER 59 HA SER 59 -3.762 -8.696 9.641 332 HB3 SER 59 2HB SER 59 -5.029 -10.144 7.619 333 HG SER 59 HG SER 59 -4.552 -11.879 9.396 334 H ILE 60 H ILE 60 -2.750 -7.493 8.178 335 HA ILE 60 HA ILE 60 -4.355 -6.202 6.071 336 HB ILE 60 HB ILE 60 -1.854 -4.886 6.984 337 HG13 ILE 60 2HG1 ILE 60 -3.114 -5.538 9.070 338 HG21 ILE 60 1HG2 ILE 60 -4.273 -3.305 6.613 339 HG22 ILE 60 2HG2 ILE 60 -2.687 -3.143 5.863 340 HG23 ILE 60 3HG2 ILE 60 -3.858 -4.285 5.206 341 HD11 ILE 60 3HD1 ILE 60 -2.435 -3.697 10.106 342 HD12 ILE 60 1HD1 ILE 60 -1.908 -3.142 8.517 343 HD13 ILE 60 2HD1 ILE 60 -3.485 -2.661 9.141 344 H VAL 61 H VAL 61 -3.746 -6.656 4.063 345 HA VAL 61 HA VAL 61 -0.946 -7.178 3.455 346 HB VAL 61 HB VAL 61 -3.138 -9.186 2.936 347 HG11 VAL 61 1HG1 VAL 61 -2.061 -9.318 0.922 348 HG12 VAL 61 2HG1 VAL 61 -0.521 -8.764 1.583 349 HG13 VAL 61 3HG1 VAL 61 -1.064 -10.417 1.874 350 HG21 VAL 61 3HG2 VAL 61 -1.440 -10.708 4.033 351 HG22 VAL 61 1HG2 VAL 61 -0.560 -9.248 4.488 352 HG23 VAL 61 2HG2 VAL 61 -2.200 -9.512 5.085 353 H LYS 62 H LYS 62 -0.398 -6.210 1.615 354 HA LYS 62 HA LYS 62 -2.084 -4.611 0.125 355 HB3 LYS 62 2HB LYS 62 0.292 -4.304 -0.001 356 HG3 LYS 62 2HG LYS 62 0.550 -6.872 -1.537 357 HD3 LYS 62 2HD LYS 62 2.574 -5.031 -0.263 358 HE3 LYS 62 2HE LYS 62 2.717 -7.759 -1.325 359 HZ1 LYS 62 3HZ LYS 62 5.026 -7.264 -2.198 360 HZ2 LYS 62 1HZ LYS 62 4.536 -5.650 -2.318 361 HZ3 LYS 62 2HZ LYS 62 3.732 -6.846 -3.204 362 H ASP 63 H ASP 63 -1.201 -7.985 -0.393 363 HA ASP 63 HA ASP 63 -2.351 -8.310 -2.932 364 HB3 ASP 63 2HB ASP 63 -2.100 -10.629 -2.608 365 H LYS 64 H LYS 64 -3.713 -8.599 0.312 366 HA LYS 64 HA LYS 64 -6.313 -9.355 -0.740 367 HB3 LYS 64 2HB LYS 64 -6.961 -9.757 1.482 368 HG3 LYS 64 2HG LYS 64 -5.088 -10.911 2.610 369 HD3 LYS 64 2HD LYS 64 -6.036 -11.399 -0.096 370 HE3 LYS 64 2HE LYS 64 -3.282 -12.250 0.684 371 HZ1 LYS 64 3HZ LYS 64 -4.220 -14.352 0.399 372 HZ2 LYS 64 1HZ LYS 64 -3.571 -13.990 -1.121 373 HZ3 LYS 64 2HZ LYS 64 -5.235 -13.848 -0.856 374 H VAL 65 H VAL 65 -4.636 -6.514 -0.254 375 HA VAL 65 HA VAL 65 -6.939 -4.904 0.492 376 HB VAL 65 HB VAL 65 -4.056 -4.519 0.444 377 HG11 VAL 65 1HG1 VAL 65 -4.082 -2.136 -0.098 378 HG12 VAL 65 2HG1 VAL 65 -4.567 -3.113 -1.485 379 HG13 VAL 65 3HG1 VAL 65 -5.785 -2.252 -0.542 380 HG21 VAL 65 3HG2 VAL 65 -6.417 -3.370 1.890 381 HG22 VAL 65 1HG2 VAL 65 -5.100 -4.362 2.519 382 HG23 VAL 65 2HG2 VAL 65 -4.807 -2.677 2.086 383 H PHE 66 H PHE 66 -7.948 -3.404 -0.820 384 HA PHE 66 HA PHE 66 -7.358 -3.643 -3.698 385 HB3 PHE 66 2HB PHE 66 -9.840 -2.947 -3.921 386 HD1 PHE 66 1HD PHE 66 -8.972 -4.701 -5.555 387 HD2 PHE 66 2HD PHE 66 -10.301 -5.623 -1.618 388 HE1 PHE 66 1HE PHE 66 -9.286 -7.051 -6.215 389 HE2 PHE 66 2HE PHE 66 -10.616 -7.974 -2.271 390 HZ PHE 66 HZ PHE 66 -10.108 -8.691 -4.572 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -32.975 35.986 5.811 2 HA2 GLY 1 1HA GLY 1 -32.307 33.321 5.094 3 HA3 GLY 1 2HA GLY 1 -31.584 34.780 4.434 4 H SER 2 H SER 2 -31.443 32.465 7.083 5 HA SER 2 HA SER 2 -28.596 32.558 7.145 6 HB3 SER 2 2HB SER 2 -28.439 33.320 9.548 7 HG SER 2 HG SER 2 -27.827 34.992 8.423 8 H SER 3 H SER 3 -27.830 31.332 9.259 9 HA SER 3 HA SER 3 -29.560 29.513 10.516 10 HB3 SER 3 2HB SER 3 -29.280 28.784 7.913 11 HG SER 3 HG SER 3 -27.558 27.616 7.608 12 H GLY 4 H GLY 4 -28.307 27.691 11.587 13 HA2 GLY 4 1HA GLY 4 -25.681 27.268 11.807 14 HA3 GLY 4 2HA GLY 4 -25.831 28.824 12.610 15 H SER 5 H SER 5 -27.524 25.683 12.614 16 HA SER 5 HA SER 5 -26.930 25.059 15.279 17 HB3 SER 5 2HB SER 5 -28.790 27.105 15.166 18 HG SER 5 HG SER 5 -30.748 26.284 15.405 19 H SER 6 H SER 6 -27.222 22.939 15.477 20 HA SER 6 HA SER 6 -29.264 21.645 13.790 21 HB3 SER 6 2HB SER 6 -26.449 21.263 13.771 22 HG SER 6 HG SER 6 -27.711 18.824 14.364 23 H GLY 7 H GLY 7 -30.420 19.935 14.670 24 HA2 GLY 7 1HA GLY 7 -30.756 20.005 17.506 25 HA3 GLY 7 2HA GLY 7 -31.582 18.930 16.387 26 H PHE 8 H PHE 8 -31.330 16.936 17.161 27 HA PHE 8 HA PHE 8 -29.479 15.911 18.843 28 HB3 PHE 8 2HB PHE 8 -31.507 14.762 17.742 29 HD1 PHE 8 2HD PHE 8 -28.614 12.934 16.408 30 HD2 PHE 8 1HD PHE 8 -32.154 15.105 15.473 31 HE1 PHE 8 2HE PHE 8 -28.481 12.142 14.082 32 HE2 PHE 8 1HE PHE 8 -32.028 14.315 13.146 33 HZ PHE 8 HZ PHE 8 -30.189 12.833 12.448 34 H VAL 9 H VAL 9 -27.632 14.451 18.492 35 HA VAL 9 HA VAL 9 -25.466 15.587 17.347 36 HB VAL 9 HB VAL 9 -25.233 13.630 18.738 37 HG11 VAL 9 1HG1 VAL 9 -26.381 12.043 16.443 38 HG12 VAL 9 2HG1 VAL 9 -25.804 11.398 17.982 39 HG13 VAL 9 3HG1 VAL 9 -27.232 12.434 17.937 40 HG21 VAL 9 3HG2 VAL 9 -23.952 13.851 16.132 41 HG22 VAL 9 1HG2 VAL 9 -23.244 13.565 17.722 42 HG23 VAL 9 2HG2 VAL 9 -23.896 12.215 16.791 43 H LYS 10 H LYS 10 -24.754 16.029 15.366 44 HA LYS 10 HA LYS 10 -25.805 14.481 13.099 45 HB3 LYS 10 2HB LYS 10 -25.561 17.490 13.264 46 HG3 LYS 10 2HG LYS 10 -25.046 16.219 10.996 47 HD3 LYS 10 2HD LYS 10 -28.045 16.533 10.928 48 HE3 LYS 10 2HE LYS 10 -27.185 16.866 8.762 49 HZ1 LYS 10 3HZ LYS 10 -25.275 14.727 9.448 50 HZ2 LYS 10 1HZ LYS 10 -24.966 16.271 8.829 51 HZ3 LYS 10 2HZ LYS 10 -25.627 15.077 7.831 52 H THR 11 H THR 11 -24.350 13.975 11.540 53 HA THR 11 HA THR 11 -21.724 15.269 11.574 54 HB THR 11 HB THR 11 -21.531 12.374 11.174 55 HG1 THR 11 1HG THR 11 -21.626 12.090 13.565 56 HG21 THR 11 3HG2 THR 11 -19.471 13.346 11.383 57 HG22 THR 11 1HG2 THR 11 -19.753 12.912 13.068 58 HG23 THR 11 2HG2 THR 11 -20.040 14.565 12.523 59 H VAL 12 H VAL 12 -20.488 14.939 9.633 60 HA VAL 12 HA VAL 12 -22.205 14.352 7.317 61 HB VAL 12 HB VAL 12 -21.286 16.640 7.415 62 HG11 VAL 12 1HG1 VAL 12 -19.018 15.470 8.380 63 HG12 VAL 12 2HG1 VAL 12 -18.559 15.841 6.717 64 HG13 VAL 12 3HG1 VAL 12 -19.130 17.125 7.783 65 HG21 VAL 12 3HG2 VAL 12 -20.671 14.746 5.221 66 HG22 VAL 12 1HG2 VAL 12 -21.706 16.173 5.231 67 HG23 VAL 12 2HG2 VAL 12 -19.956 16.355 5.123 68 H GLU 13 H GLU 13 -21.887 12.428 6.429 69 HA GLU 13 HA GLU 13 -19.208 11.224 6.569 70 HB3 GLU 13 2HB GLU 13 -20.294 9.076 6.238 71 HG3 GLU 13 2HG GLU 13 -20.459 10.434 8.541 72 H ASP 14 H ASP 14 -18.066 11.610 4.790 73 HA ASP 14 HA ASP 14 -19.165 10.859 2.214 74 HB3 ASP 14 2HB ASP 14 -17.872 13.314 1.687 75 H LYS 15 H LYS 15 -17.671 9.820 1.065 76 HA LYS 15 HA LYS 15 -15.664 9.059 0.306 77 HB3 LYS 15 2HB LYS 15 -13.796 10.510 0.236 78 HG3 LYS 15 2HG LYS 15 -16.412 11.765 -0.074 79 HD3 LYS 15 2HD LYS 15 -15.240 13.433 1.372 80 HE3 LYS 15 2HE LYS 15 -13.008 12.766 -0.051 81 HZ1 LYS 15 3HZ LYS 15 -14.318 14.782 -1.536 82 HZ2 LYS 15 1HZ LYS 15 -12.852 14.003 -1.863 83 HZ3 LYS 15 2HZ LYS 15 -12.874 15.395 -0.902 84 H TYR 16 H TYR 16 -13.931 7.782 1.018 85 HA TYR 16 HA TYR 16 -14.185 6.782 3.659 86 HB3 TYR 16 2HB TYR 16 -12.446 5.244 3.080 87 HD1 TYR 16 1HD TYR 16 -13.219 6.517 -0.298 88 HD2 TYR 16 2HD TYR 16 -14.253 3.725 2.742 89 HE1 TYR 16 1HE TYR 16 -14.656 5.320 -1.895 90 HE2 TYR 16 2HE TYR 16 -15.692 2.520 1.153 91 HH TYR 16 HH TYR 16 -16.671 2.605 -0.876 92 H LYS 17 H LYS 17 -12.208 6.491 5.089 93 HA LYS 17 HA LYS 17 -10.314 8.688 5.031 94 HB3 LYS 17 2HB LYS 17 -12.513 8.446 7.042 95 HG3 LYS 17 2HG LYS 17 -10.788 10.286 8.149 96 HD3 LYS 17 2HD LYS 17 -10.398 8.165 9.752 97 HE3 LYS 17 2HE LYS 17 -12.362 10.247 9.493 98 HZ1 LYS 17 3HZ LYS 17 -13.316 7.645 10.536 99 HZ2 LYS 17 1HZ LYS 17 -14.062 8.652 9.398 100 HZ3 LYS 17 2HZ LYS 17 -13.992 9.118 11.023 101 H CYS 18 H CYS 18 -8.422 8.234 6.079 102 HA CYS 18 HA CYS 18 -7.807 5.538 6.611 103 HB3 CYS 18 2HB CYS 18 -6.329 8.091 7.260 104 H GLU 19 H GLU 19 -7.616 4.380 8.475 105 HA GLU 19 HA GLU 19 -9.021 5.413 10.783 106 HB3 GLU 19 2HB GLU 19 -8.204 2.972 11.580 107 HG3 GLU 19 2HG GLU 19 -10.262 2.035 10.791 108 H LYS 20 H LYS 20 -6.342 6.462 10.005 109 HA LYS 20 HA LYS 20 -5.038 6.054 12.609 110 HB3 LYS 20 2HB LYS 20 -3.085 6.655 10.587 111 HG3 LYS 20 2HG LYS 20 -3.536 4.396 12.499 112 HD3 LYS 20 2HD LYS 20 -1.211 4.652 10.592 113 HE3 LYS 20 2HE LYS 20 -0.222 2.953 11.694 114 HZ1 LYS 20 3HZ LYS 20 -0.481 3.071 13.998 115 HZ2 LYS 20 1HZ LYS 20 -2.119 3.484 13.898 116 HZ3 LYS 20 2HZ LYS 20 -0.935 4.608 13.455 117 H CYS 21 H CYS 21 -4.670 8.058 9.676 118 HA CYS 21 HA CYS 21 -4.291 10.397 11.403 119 HB3 CYS 21 2HB CYS 21 -2.521 10.155 9.821 120 H HIS 22 H HIS 22 -6.800 8.888 10.062 121 HA HIS 22 HA HIS 22 -8.915 9.473 9.463 122 HB3 HIS 22 2HB HIS 22 -9.787 10.980 10.877 123 HD2 HIS 22 2HD HIS 22 -7.634 9.289 12.482 124 HE1 HIS 22 1HE HIS 22 -6.310 12.981 14.101 125 HE2 HIS 22 2HE HIS 22 -6.225 10.472 14.301 126 H LEU 23 H LEU 23 -6.608 9.965 7.639 127 HA LEU 23 HA LEU 23 -7.142 12.311 6.126 128 HB3 LEU 23 2HB LEU 23 -5.890 10.685 4.360 129 HG LEU 23 HG LEU 23 -3.680 11.357 5.690 130 HD11 LEU 23 1HD1 LEU 23 -3.701 13.452 4.463 131 HD12 LEU 23 2HD1 LEU 23 -5.444 13.322 4.234 132 HD13 LEU 23 3HD1 LEU 23 -4.365 12.151 3.475 133 HD21 LEU 23 3HD2 LEU 23 -3.888 13.005 7.245 134 HD22 LEU 23 1HD2 LEU 23 -5.395 12.141 7.557 135 HD23 LEU 23 2HD2 LEU 23 -5.405 13.604 6.572 136 H VAL 24 H VAL 24 -8.921 12.658 4.985 137 HA VAL 24 HA VAL 24 -10.719 10.599 4.213 138 HB VAL 24 HB VAL 24 -10.589 13.482 3.315 139 HG11 VAL 24 1HG1 VAL 24 -12.615 11.317 2.865 140 HG12 VAL 24 2HG1 VAL 24 -13.074 13.021 2.857 141 HG13 VAL 24 3HG1 VAL 24 -11.891 12.421 1.695 142 HG21 VAL 24 3HG2 VAL 24 -10.892 13.120 5.755 143 HG22 VAL 24 1HG2 VAL 24 -12.269 13.907 4.982 144 HG23 VAL 24 2HG2 VAL 24 -12.349 12.195 5.398 145 H LEU 25 H LEU 25 -10.451 9.227 2.591 146 HA LEU 25 HA LEU 25 -9.098 10.174 0.151 147 HB3 LEU 25 2HB LEU 25 -7.620 8.535 0.301 148 HG LEU 25 HG LEU 25 -8.956 8.041 2.916 149 HD11 LEU 25 1HD1 LEU 25 -7.999 5.900 1.431 150 HD12 LEU 25 2HD1 LEU 25 -8.275 5.941 3.173 151 HD13 LEU 25 3HD1 LEU 25 -6.676 6.307 2.525 152 HD21 LEU 25 3HD2 LEU 25 -6.626 8.408 3.698 153 HD22 LEU 25 1HD2 LEU 25 -7.297 9.770 2.800 154 HD23 LEU 25 2HD2 LEU 25 -6.149 8.681 2.022 155 H CYS 26 H CYS 26 -9.640 8.757 -1.781 156 HA CYS 26 HA CYS 26 -12.540 8.326 -1.799 157 HB3 CYS 26 2HB CYS 26 -10.552 9.222 -3.789 158 H SER 27 H SER 27 -9.487 6.768 -2.648 159 HA SER 27 HA SER 27 -10.918 4.194 -2.736 160 HB3 SER 27 2HB SER 27 -8.922 5.331 -4.649 161 HG SER 27 HG SER 27 -9.281 2.581 -4.705 162 HA PRO 28 HA PRO 28 -7.635 4.055 0.516 163 HB3 PRO 28 2HB PRO 28 -9.188 4.463 2.159 164 HG3 PRO 28 2HG PRO 28 -11.440 3.992 1.823 165 HD3 PRO 28 2HD PRO 28 -10.997 5.194 -0.093 166 H LYS 29 H LYS 29 -7.502 1.810 2.052 167 HA LYS 29 HA LYS 29 -7.375 -0.393 0.100 168 HB3 LYS 29 2HB LYS 29 -5.235 -0.944 0.705 169 HG3 LYS 29 2HG LYS 29 -3.818 0.933 0.895 170 HD3 LYS 29 2HD LYS 29 -5.859 2.551 -0.352 171 HE3 LYS 29 2HE LYS 29 -3.380 2.478 -0.815 172 HZ1 LYS 29 3HZ LYS 29 -3.552 0.505 -2.829 173 HZ2 LYS 29 1HZ LYS 29 -3.905 -0.191 -1.328 174 HZ3 LYS 29 2HZ LYS 29 -2.444 0.630 -1.557 175 H GLN 30 H GLN 30 -9.618 -0.510 1.272 176 HA GLN 30 HA GLN 30 -10.064 -1.264 3.834 177 HB3 GLN 30 2HB GLN 30 -11.369 -2.976 1.786 178 HG3 GLN 30 2HG GLN 30 -12.552 -1.123 3.838 179 HE21 GLN 30 1HE2 GLN 30 -14.595 -2.574 4.623 180 HE22 GLN 30 2HE2 GLN 30 -15.672 -2.936 3.323 181 H THR 31 H THR 31 -9.010 -2.635 5.097 182 HA THR 31 HA THR 31 -7.403 -4.760 4.133 183 HB THR 31 HB THR 31 -6.895 -5.260 6.380 184 HG1 THR 31 1HG THR 31 -9.368 -3.996 7.001 185 HG21 THR 31 3HG2 THR 31 -6.066 -3.257 7.106 186 HG22 THR 31 1HG2 THR 31 -7.578 -2.398 6.813 187 HG23 THR 31 2HG2 THR 31 -6.514 -2.795 5.463 188 H GLU 32 H GLU 32 -8.118 -6.703 6.202 189 HA GLU 32 HA GLU 32 -10.338 -7.981 4.777 190 HB3 GLU 32 2HB GLU 32 -8.723 -9.445 6.807 191 HG3 GLU 32 2HG GLU 32 -8.747 -10.983 4.600 192 H CYS 33 H CYS 33 -10.287 -5.936 7.128 193 HA CYS 33 HA CYS 33 -12.131 -7.443 8.866 194 HB3 CYS 33 2HB CYS 33 -9.962 -6.631 9.912 195 H GLY 34 H GLY 34 -11.569 -4.537 7.020 196 HA2 GLY 34 1HA GLY 34 -13.789 -3.734 6.061 197 HA3 GLY 34 2HA GLY 34 -14.261 -3.570 7.745 198 H HIS 35 H HIS 35 -12.032 -2.465 8.880 199 HA HIS 35 HA HIS 35 -12.320 0.233 8.448 200 HB3 HIS 35 2HB HIS 35 -10.065 0.467 9.552 201 HD2 HIS 35 2HD HIS 35 -12.265 1.363 11.236 202 HE1 HIS 35 1HE HIS 35 -12.329 -2.263 13.437 203 HE2 HIS 35 2HE HIS 35 -13.174 0.106 13.304 204 H ARG 36 H ARG 36 -10.428 1.730 7.772 205 HA ARG 36 HA ARG 36 -9.089 0.742 5.363 206 HB3 ARG 36 2HB ARG 36 -9.747 2.903 4.209 207 HG3 ARG 36 2HG ARG 36 -11.646 0.696 4.794 208 HD3 ARG 36 2HD ARG 36 -12.601 2.598 2.794 209 HE ARG 36 HE ARG 36 -14.339 1.737 4.917 210 HH11 ARG 36 1HH1 ARG 36 -12.829 0.851 1.908 211 HH12 ARG 36 2HH1 ARG 36 -14.017 -0.346 1.513 212 HH21 ARG 36 1HH2 ARG 36 -15.911 0.163 4.408 213 HH22 ARG 36 2HH2 ARG 36 -15.769 -0.736 2.936 214 H PHE 37 H PHE 37 -7.332 2.113 4.644 215 HA PHE 37 HA PHE 37 -6.405 4.112 6.562 216 HB3 PHE 37 2HB PHE 37 -4.077 3.017 6.383 217 HD1 PHE 37 2HD PHE 37 -6.562 0.470 7.346 218 HD2 PHE 37 1HD PHE 37 -4.037 3.633 8.665 219 HE1 PHE 37 2HE PHE 37 -6.979 -0.177 9.683 220 HE2 PHE 37 1HE PHE 37 -4.449 2.990 11.005 221 HZ PHE 37 HZ PHE 37 -5.923 1.084 11.516 222 H CYS 38 H CYS 38 -4.318 5.158 5.714 223 HA CYS 38 HA CYS 38 -4.763 5.788 2.897 224 HB3 CYS 38 2HB CYS 38 -4.611 7.598 4.639 225 H GLU 39 H GLU 39 -2.823 6.174 1.522 226 HA GLU 39 HA GLU 39 -1.361 3.939 1.044 227 HB3 GLU 39 2HB GLU 39 0.428 5.686 0.157 228 HG3 GLU 39 2HG GLU 39 -2.320 5.735 -1.053 229 H SER 40 H SER 40 -0.161 6.737 2.902 230 HA SER 40 HA SER 40 2.292 5.671 3.646 231 HB3 SER 40 2HB SER 40 0.488 7.660 5.027 232 HG SER 40 HG SER 40 1.917 7.868 6.579 233 H CYS 41 H CYS 41 -0.098 6.177 6.183 234 HA CYS 41 HA CYS 41 0.700 4.439 8.035 235 HB3 CYS 41 2HB CYS 41 -1.658 4.118 8.718 236 H MET 42 H MET 42 -1.216 3.513 5.198 237 HA MET 42 HA MET 42 -1.568 0.815 5.798 238 HB3 MET 42 2HB MET 42 -1.328 2.253 3.158 239 HG3 MET 42 2HG MET 42 -0.761 -0.095 2.784 240 HE1 MET 42 3HE MET 42 -3.470 0.227 5.613 241 HE2 MET 42 1HE MET 42 -4.313 0.459 4.082 242 HE3 MET 42 2HE MET 42 -4.644 -0.969 5.062 243 H ALA 43 H ALA 43 0.960 2.294 3.760 244 HA ALA 43 HA ALA 43 2.427 -0.054 3.326 245 HB1 ALA 43 3HB ALA 43 3.008 2.855 3.103 246 HB2 ALA 43 1HB ALA 43 4.354 1.717 3.034 247 HB3 ALA 43 2HB ALA 43 3.036 1.598 1.867 248 H ALA 44 H ALA 44 2.260 2.065 6.056 249 HA ALA 44 HA ALA 44 4.745 1.315 7.244 250 HB1 ALA 44 3HB ALA 44 4.211 3.178 8.342 251 HB2 ALA 44 1HB ALA 44 2.509 3.043 7.897 252 HB3 ALA 44 2HB ALA 44 3.124 2.181 9.308 253 H LEU 45 H LEU 45 1.372 0.525 8.108 254 HA LEU 45 HA LEU 45 1.908 -1.349 10.073 255 HB3 LEU 45 2HB LEU 45 -0.323 -2.221 9.668 256 HG LEU 45 HG LEU 45 -0.256 0.772 9.308 257 HD11 LEU 45 1HD1 LEU 45 -2.559 0.836 9.810 258 HD12 LEU 45 2HD1 LEU 45 -2.600 -0.883 10.201 259 HD13 LEU 45 3HD1 LEU 45 -2.374 -0.364 8.531 260 HD21 LEU 45 3HD2 LEU 45 -1.103 -0.546 11.817 261 HD22 LEU 45 1HD2 LEU 45 -0.214 0.957 11.566 262 HD23 LEU 45 2HD2 LEU 45 0.618 -0.592 11.430 263 H LEU 46 H LEU 46 1.299 -1.957 6.615 264 HA LEU 46 HA LEU 46 1.594 -4.694 6.579 265 HB3 LEU 46 2HB LEU 46 2.234 -4.474 4.237 266 HG LEU 46 HG LEU 46 0.117 -2.495 5.058 267 HD11 LEU 46 1HD1 LEU 46 1.073 -3.295 2.328 268 HD12 LEU 46 2HD1 LEU 46 0.803 -1.677 2.973 269 HD13 LEU 46 3HD1 LEU 46 -0.570 -2.722 2.613 270 HD21 LEU 46 3HD2 LEU 46 -1.226 -4.259 5.153 271 HD22 LEU 46 1HD2 LEU 46 0.184 -5.297 4.936 272 HD23 LEU 46 2HD2 LEU 46 -0.746 -4.768 3.533 273 H SER 47 H SER 47 4.081 -2.217 6.675 274 HA SER 47 HA SER 47 6.226 -4.130 6.342 275 HB3 SER 47 2HB SER 47 6.703 -1.339 7.304 276 HG SER 47 HG SER 47 8.042 -2.263 5.121 277 H SER 48 H SER 48 4.303 -4.238 8.657 278 HA SER 48 HA SER 48 6.205 -3.920 10.877 279 HB3 SER 48 2HB SER 48 3.202 -4.305 10.976 280 HG SER 48 HG SER 48 5.144 -4.384 12.868 281 H SER 49 H SER 49 5.629 -6.189 8.777 282 HA SER 49 HA SER 49 6.052 -8.435 8.773 283 HB3 SER 49 2HB SER 49 6.101 -8.698 11.732 284 HG SER 49 HG SER 49 8.011 -9.865 11.154 285 H SER 50 H SER 50 4.149 -7.736 11.711 286 HA SER 50 HA SER 50 2.122 -9.633 10.726 287 HB3 SER 50 2HB SER 50 1.492 -9.549 13.304 288 HG SER 50 HG SER 50 2.748 -11.386 13.554 289 HA PRO 51 HA PRO 51 0.269 -5.344 10.825 290 HB3 PRO 51 2HB PRO 51 0.910 -4.883 8.667 291 HG3 PRO 51 2HG PRO 51 1.386 -6.595 7.166 292 HD3 PRO 51 2HD PRO 51 2.673 -7.267 8.956 293 H LYS 52 H LYS 52 -1.625 -5.299 11.843 294 HA LYS 52 HA LYS 52 -3.665 -7.299 11.127 295 HB3 LYS 52 2HB LYS 52 -4.402 -7.338 13.333 296 HG3 LYS 52 2HG LYS 52 -1.442 -6.924 13.324 297 HD3 LYS 52 2HD LYS 52 -2.984 -7.775 15.761 298 HE3 LYS 52 2HE LYS 52 -0.141 -7.191 15.082 299 HZ1 LYS 52 3HZ LYS 52 0.439 -6.566 17.189 300 HZ2 LYS 52 1HZ LYS 52 -0.954 -7.211 17.902 301 HZ3 LYS 52 2HZ LYS 52 -1.040 -5.756 17.042 302 H CYS 53 H CYS 53 -3.718 -4.120 12.737 303 HA CYS 53 HA CYS 53 -4.794 -2.493 10.898 304 HB3 CYS 53 2HB CYS 53 -6.862 -4.434 11.852 305 H THR 54 H THR 54 -3.985 -0.901 12.175 306 HA THR 54 HA THR 54 -3.923 -0.462 14.793 307 HB THR 54 HB THR 54 -4.014 1.276 12.510 308 HG1 THR 54 1HG THR 54 -2.970 1.448 15.152 309 HG21 THR 54 3HG2 THR 54 -6.128 2.096 13.421 310 HG22 THR 54 1HG2 THR 54 -4.860 3.309 13.600 311 HG23 THR 54 2HG2 THR 54 -5.365 2.349 14.991 312 H ALA 55 H ALA 55 -6.825 0.040 12.820 313 HA ALA 55 HA ALA 55 -8.532 1.130 14.684 314 HB1 ALA 55 3HB ALA 55 -10.020 0.897 13.051 315 HB2 ALA 55 1HB ALA 55 -8.777 0.048 12.130 316 HB3 ALA 55 2HB ALA 55 -9.915 -0.863 13.124 317 H CYS 56 H CYS 56 -8.899 -2.291 13.825 318 HA CYS 56 HA CYS 56 -9.375 -2.863 16.675 319 HB3 CYS 56 2HB CYS 56 -11.373 -3.196 15.332 320 H GLN 57 H GLN 57 -7.628 -3.774 13.810 321 HA GLN 57 HA GLN 57 -5.641 -4.933 13.672 322 HB3 GLN 57 2HB GLN 57 -4.535 -5.736 15.548 323 HG3 GLN 57 2HG GLN 57 -6.012 -4.216 17.453 324 HE21 GLN 57 1HE2 GLN 57 -4.429 -1.837 16.203 325 HE22 GLN 57 2HE2 GLN 57 -2.821 -2.123 16.767 326 H GLU 58 H GLU 58 -6.185 -6.376 12.141 327 HA GLU 58 HA GLU 58 -7.153 -8.985 13.042 328 HB3 GLU 58 2HB GLU 58 -8.403 -8.666 10.586 329 HG3 GLU 58 2HG GLU 58 -10.099 -7.936 12.845 330 H SER 59 H SER 59 -6.265 -7.243 10.055 331 HA SER 59 HA SER 59 -3.869 -8.534 9.570 332 HB3 SER 59 2HB SER 59 -5.616 -9.859 7.636 333 HG SER 59 HG SER 59 -3.450 -10.428 7.899 334 H ILE 60 H ILE 60 -2.871 -7.315 8.111 335 HA ILE 60 HA ILE 60 -4.499 -5.982 6.047 336 HB ILE 60 HB ILE 60 -1.992 -4.675 6.953 337 HG13 ILE 60 2HG1 ILE 60 -3.216 -5.371 9.045 338 HG21 ILE 60 1HG2 ILE 60 -2.826 -3.139 5.585 339 HG22 ILE 60 2HG2 ILE 60 -4.331 -4.042 5.422 340 HG23 ILE 60 3HG2 ILE 60 -4.138 -2.881 6.735 341 HD11 ILE 60 3HD1 ILE 60 -1.831 -3.218 8.811 342 HD12 ILE 60 1HD1 ILE 60 -3.394 -2.400 8.798 343 HD13 ILE 60 2HD1 ILE 60 -2.923 -3.382 10.186 344 H VAL 61 H VAL 61 -4.017 -6.877 4.154 345 HA VAL 61 HA VAL 61 -1.182 -7.248 3.469 346 HB VAL 61 HB VAL 61 -3.416 -9.199 2.909 347 HG11 VAL 61 1HG1 VAL 61 -1.245 -10.453 1.972 348 HG12 VAL 61 2HG1 VAL 61 -2.292 -9.458 0.958 349 HG13 VAL 61 3HG1 VAL 61 -0.794 -8.788 1.605 350 HG21 VAL 61 3HG2 VAL 61 -1.685 -10.744 4.039 351 HG22 VAL 61 1HG2 VAL 61 -0.970 -9.247 4.637 352 HG23 VAL 61 2HG2 VAL 61 -2.635 -9.657 5.053 353 H LYS 62 H LYS 62 -0.624 -6.277 1.634 354 HA LYS 62 HA LYS 62 -2.296 -4.645 0.158 355 HB3 LYS 62 2HB LYS 62 0.055 -4.319 0.000 356 HG3 LYS 62 2HG LYS 62 0.656 -6.688 -1.632 357 HD3 LYS 62 2HD LYS 62 2.425 -6.240 0.555 358 HE3 LYS 62 2HE LYS 62 4.019 -5.746 -1.185 359 HZ1 LYS 62 3HZ LYS 62 2.323 -7.997 -1.285 360 HZ2 LYS 62 1HZ LYS 62 3.969 -7.893 -1.663 361 HZ3 LYS 62 2HZ LYS 62 2.808 -7.598 -2.856 362 H ASP 63 H ASP 63 -1.393 -8.011 -0.432 363 HA ASP 63 HA ASP 63 -2.646 -8.262 -2.948 364 HB3 ASP 63 2HB ASP 63 -2.426 -10.658 -2.631 365 H LYS 64 H LYS 64 -3.823 -8.521 0.334 366 HA LYS 64 HA LYS 64 -6.447 -9.414 -0.610 367 HB3 LYS 64 2HB LYS 64 -6.965 -9.918 1.659 368 HG3 LYS 64 2HG LYS 64 -4.498 -10.878 2.389 369 HD3 LYS 64 2HD LYS 64 -6.099 -12.355 0.353 370 HE3 LYS 64 2HE LYS 64 -5.160 -13.158 3.100 371 HZ1 LYS 64 3HZ LYS 64 -5.217 -15.390 1.861 372 HZ2 LYS 64 1HZ LYS 64 -6.234 -14.601 0.764 373 HZ3 LYS 64 2HZ LYS 64 -6.680 -14.728 2.390 374 H VAL 65 H VAL 65 -4.902 -6.570 -0.313 375 HA VAL 65 HA VAL 65 -7.062 -5.058 0.914 376 HB VAL 65 HB VAL 65 -4.275 -4.602 0.441 377 HG11 VAL 65 1HG1 VAL 65 -5.058 -3.401 -1.570 378 HG12 VAL 65 2HG1 VAL 65 -6.058 -2.376 -0.539 379 HG13 VAL 65 3HG1 VAL 65 -4.301 -2.334 -0.389 380 HG21 VAL 65 3HG2 VAL 65 -4.970 -4.151 2.577 381 HG22 VAL 65 1HG2 VAL 65 -4.965 -2.522 1.903 382 HG23 VAL 65 2HG2 VAL 65 -6.481 -3.412 2.048 383 H PHE 66 H PHE 66 -8.442 -3.688 -0.139 384 HA PHE 66 HA PHE 66 -8.157 -3.078 -2.929 385 HB3 PHE 66 2HB PHE 66 -10.315 -4.157 -3.596 386 HD1 PHE 66 2HD PHE 66 -7.957 -4.444 -4.868 387 HD2 PHE 66 1HD PHE 66 -9.597 -7.138 -2.009 388 HE1 PHE 66 2HE PHE 66 -6.596 -6.265 -5.807 389 HE2 PHE 66 1HE PHE 66 -8.237 -8.963 -2.943 390 HZ PHE 66 HZ PHE 66 -6.734 -8.528 -4.846 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -37.402 19.346 -12.186 2 HA2 GLY 1 1HA GLY 1 -39.075 21.327 -11.250 3 HA3 GLY 1 2HA GLY 1 -37.986 22.136 -12.367 4 H SER 2 H SER 2 -39.464 18.904 -12.483 5 HA SER 2 HA SER 2 -41.008 19.727 -14.831 6 HB3 SER 2 2HB SER 2 -38.767 17.796 -14.791 7 HG SER 2 HG SER 2 -40.406 17.033 -16.743 8 H SER 3 H SER 3 -40.240 16.865 -12.842 9 HA SER 3 HA SER 3 -41.576 15.397 -11.724 10 HB3 SER 3 2HB SER 3 -43.135 17.845 -11.795 11 HG SER 3 HG SER 3 -45.147 16.963 -11.574 12 H GLY 4 H GLY 4 -42.832 13.608 -12.219 13 HA2 GLY 4 1HA GLY 4 -44.515 12.507 -13.551 14 HA3 GLY 4 2HA GLY 4 -44.122 13.601 -14.869 15 H SER 5 H SER 5 -43.752 10.513 -13.737 16 HA SER 5 HA SER 5 -42.509 8.722 -14.385 17 HB3 SER 5 2HB SER 5 -41.165 9.349 -16.676 18 HG SER 5 HG SER 5 -43.750 8.471 -16.110 19 H SER 6 H SER 6 -40.257 10.927 -15.916 20 HA SER 6 HA SER 6 -38.034 9.861 -14.539 21 HB3 SER 6 2HB SER 6 -37.674 12.549 -15.678 22 HG SER 6 HG SER 6 -35.895 11.618 -16.406 23 H GLY 7 H GLY 7 -39.472 13.126 -14.356 24 HA2 GLY 7 1HA GLY 7 -39.384 14.716 -12.699 25 HA3 GLY 7 2HA GLY 7 -39.586 13.351 -11.610 26 H PHE 8 H PHE 8 -38.256 15.219 -10.459 27 HA PHE 8 HA PHE 8 -35.417 15.087 -11.018 28 HB3 PHE 8 2HB PHE 8 -35.842 16.376 -8.546 29 HD1 PHE 8 2HD PHE 8 -36.234 17.261 -12.155 30 HD2 PHE 8 1HD PHE 8 -34.147 17.907 -8.502 31 HE1 PHE 8 2HE PHE 8 -34.784 18.902 -13.277 32 HE2 PHE 8 1HE PHE 8 -32.696 19.551 -9.618 33 HZ PHE 8 HZ PHE 8 -33.013 20.050 -12.008 34 H VAL 9 H VAL 9 -33.944 13.880 -9.978 35 HA VAL 9 HA VAL 9 -34.824 12.363 -7.609 36 HB VAL 9 HB VAL 9 -34.742 10.841 -9.494 37 HG11 VAL 9 1HG1 VAL 9 -33.366 11.477 -11.155 38 HG12 VAL 9 2HG1 VAL 9 -32.238 12.271 -10.054 39 HG13 VAL 9 3HG1 VAL 9 -32.166 10.524 -10.283 40 HG21 VAL 9 3HG2 VAL 9 -33.817 10.246 -7.160 41 HG22 VAL 9 1HG2 VAL 9 -33.479 9.155 -8.504 42 HG23 VAL 9 2HG2 VAL 9 -32.238 10.277 -7.946 43 H LYS 10 H LYS 10 -33.216 11.860 -6.067 44 HA LYS 10 HA LYS 10 -30.846 13.600 -6.223 45 HB3 LYS 10 2HB LYS 10 -31.246 12.752 -3.556 46 HG3 LYS 10 2HG LYS 10 -31.554 15.338 -5.011 47 HD3 LYS 10 2HD LYS 10 -31.772 15.405 -2.071 48 HE3 LYS 10 2HE LYS 10 -33.410 16.865 -4.121 49 HZ1 LYS 10 3HZ LYS 10 -34.167 17.825 -2.287 50 HZ2 LYS 10 1HZ LYS 10 -32.633 18.496 -2.050 51 HZ3 LYS 10 2HZ LYS 10 -33.039 17.032 -1.309 52 H THR 11 H THR 11 -28.841 12.811 -5.522 53 HA THR 11 HA THR 11 -28.657 9.872 -5.480 54 HB THR 11 HB THR 11 -26.194 11.422 -5.985 55 HG1 THR 11 1HG THR 11 -26.903 11.655 -8.250 56 HG21 THR 11 3HG2 THR 11 -26.358 9.617 -7.957 57 HG22 THR 11 1HG2 THR 11 -27.452 8.865 -6.798 58 HG23 THR 11 2HG2 THR 11 -25.785 9.212 -6.339 59 H VAL 12 H VAL 12 -26.313 9.314 -4.467 60 HA VAL 12 HA VAL 12 -26.169 10.693 -1.866 61 HB VAL 12 HB VAL 12 -27.201 8.638 -1.347 62 HG11 VAL 12 1HG1 VAL 12 -25.989 6.462 -2.104 63 HG12 VAL 12 2HG1 VAL 12 -27.060 7.302 -3.226 64 HG13 VAL 12 3HG1 VAL 12 -25.312 7.495 -3.362 65 HG21 VAL 12 3HG2 VAL 12 -24.515 7.611 -0.799 66 HG22 VAL 12 1HG2 VAL 12 -24.760 9.290 -0.320 67 HG23 VAL 12 2HG2 VAL 12 -25.819 8.029 0.312 68 H GLU 13 H GLU 13 -24.251 11.593 -1.550 69 HA GLU 13 HA GLU 13 -21.903 10.404 -2.874 70 HB3 GLU 13 2HB GLU 13 -20.994 12.839 -2.369 71 HG3 GLU 13 2HG GLU 13 -22.268 13.605 -4.544 72 H ASP 14 H ASP 14 -20.090 9.974 -1.701 73 HA ASP 14 HA ASP 14 -19.844 10.881 1.038 74 HB3 ASP 14 2HB ASP 14 -20.018 8.843 2.126 75 H LYS 15 H LYS 15 -17.909 9.019 1.853 76 HA LYS 15 HA LYS 15 -15.867 8.650 -0.079 77 HB3 LYS 15 2HB LYS 15 -15.354 10.904 -0.111 78 HG3 LYS 15 2HG LYS 15 -16.995 11.451 1.767 79 HD3 LYS 15 2HD LYS 15 -14.446 11.150 3.356 80 HE3 LYS 15 2HE LYS 15 -17.113 12.357 4.078 81 HZ1 LYS 15 3HZ LYS 15 -14.872 12.151 5.966 82 HZ2 LYS 15 1HZ LYS 15 -15.911 10.829 5.781 83 HZ3 LYS 15 2HZ LYS 15 -16.526 12.324 6.277 84 H TYR 16 H TYR 16 -13.636 8.405 1.233 85 HA TYR 16 HA TYR 16 -14.283 6.809 3.624 86 HB3 TYR 16 2HB TYR 16 -12.452 5.317 3.042 87 HD1 TYR 16 2HD TYR 16 -14.389 3.851 2.969 88 HD2 TYR 16 1HD TYR 16 -13.374 6.291 -0.365 89 HE1 TYR 16 2HE TYR 16 -15.900 2.529 1.549 90 HE2 TYR 16 1HE TYR 16 -14.884 4.977 -1.794 91 HH TYR 16 HH TYR 16 -17.031 2.562 -0.467 92 H LYS 17 H LYS 17 -12.300 6.473 5.051 93 HA LYS 17 HA LYS 17 -10.405 8.671 5.038 94 HB3 LYS 17 2HB LYS 17 -12.599 8.379 7.049 95 HG3 LYS 17 2HG LYS 17 -10.875 10.196 8.194 96 HD3 LYS 17 2HD LYS 17 -10.474 8.044 9.746 97 HE3 LYS 17 2HE LYS 17 -12.586 10.039 9.469 98 HZ1 LYS 17 3HZ LYS 17 -13.276 7.946 11.378 99 HZ2 LYS 17 1HZ LYS 17 -13.669 7.659 9.758 100 HZ3 LYS 17 2HZ LYS 17 -14.277 9.025 10.546 101 H CYS 18 H CYS 18 -8.510 8.194 6.075 102 HA CYS 18 HA CYS 18 -7.895 5.486 6.542 103 HB3 CYS 18 2HB CYS 18 -6.415 8.025 7.243 104 H GLU 19 H GLU 19 -7.707 4.285 8.376 105 HA GLU 19 HA GLU 19 -9.101 5.269 10.714 106 HB3 GLU 19 2HB GLU 19 -8.268 2.799 11.438 107 HG3 GLU 19 2HG GLU 19 -10.363 1.947 10.857 108 H LYS 20 H LYS 20 -6.422 6.328 9.954 109 HA LYS 20 HA LYS 20 -5.104 5.840 12.536 110 HB3 LYS 20 2HB LYS 20 -3.189 6.520 10.484 111 HG3 LYS 20 2HG LYS 20 -3.542 4.261 12.415 112 HD3 LYS 20 2HD LYS 20 -1.248 4.536 10.479 113 HE3 LYS 20 2HE LYS 20 -0.291 2.772 11.518 114 HZ1 LYS 20 3HZ LYS 20 -2.135 3.424 13.744 115 HZ2 LYS 20 1HZ LYS 20 -0.831 4.411 13.310 116 HZ3 LYS 20 2HZ LYS 20 -0.554 2.833 13.849 117 H CYS 21 H CYS 21 -4.745 7.948 9.677 118 HA CYS 21 HA CYS 21 -4.376 10.226 11.484 119 HB3 CYS 21 2HB CYS 21 -2.602 10.063 9.908 120 H HIS 22 H HIS 22 -6.873 8.754 10.066 121 HA HIS 22 HA HIS 22 -8.988 9.353 9.477 122 HB3 HIS 22 2HB HIS 22 -9.867 10.766 10.977 123 HD2 HIS 22 2HD HIS 22 -7.689 9.085 12.526 124 HE1 HIS 22 1HE HIS 22 -6.377 12.752 14.206 125 HE2 HIS 22 2HE HIS 22 -6.269 10.240 14.352 126 H LEU 23 H LEU 23 -6.717 9.893 7.664 127 HA LEU 23 HA LEU 23 -7.238 12.323 6.267 128 HB3 LEU 23 2HB LEU 23 -5.990 10.682 4.454 129 HG LEU 23 HG LEU 23 -4.830 12.478 6.552 130 HD11 LEU 23 1HD1 LEU 23 -3.459 10.292 5.385 131 HD12 LEU 23 2HD1 LEU 23 -2.812 11.579 6.399 132 HD13 LEU 23 3HD1 LEU 23 -2.846 11.772 4.647 133 HD21 LEU 23 3HD2 LEU 23 -4.595 12.633 3.563 134 HD22 LEU 23 1HD2 LEU 23 -4.386 13.915 4.756 135 HD23 LEU 23 2HD2 LEU 23 -5.995 13.272 4.425 136 H VAL 24 H VAL 24 -8.936 12.735 5.033 137 HA VAL 24 HA VAL 24 -10.777 10.725 4.217 138 HB VAL 24 HB VAL 24 -10.538 13.657 3.587 139 HG11 VAL 24 1HG1 VAL 24 -12.299 11.602 2.343 140 HG12 VAL 24 2HG1 VAL 24 -12.956 13.210 2.658 141 HG13 VAL 24 3HG1 VAL 24 -11.538 13.021 1.624 142 HG21 VAL 24 3HG2 VAL 24 -11.488 12.393 5.788 143 HG22 VAL 24 1HG2 VAL 24 -12.033 13.978 5.239 144 HG23 VAL 24 2HG2 VAL 24 -12.957 12.535 4.824 145 H LEU 25 H LEU 25 -10.459 9.348 2.605 146 HA LEU 25 HA LEU 25 -9.086 10.313 0.184 147 HB3 LEU 25 2HB LEU 25 -7.575 8.713 0.407 148 HG LEU 25 HG LEU 25 -9.050 8.108 2.912 149 HD11 LEU 25 1HD1 LEU 25 -6.782 6.323 2.387 150 HD12 LEU 25 2HD1 LEU 25 -8.238 5.969 1.459 151 HD13 LEU 25 3HD1 LEU 25 -8.306 6.014 3.220 152 HD21 LEU 25 3HD2 LEU 25 -6.762 8.381 3.831 153 HD22 LEU 25 1HD2 LEU 25 -7.336 9.792 2.944 154 HD23 LEU 25 2HD2 LEU 25 -6.180 8.690 2.195 155 H CYS 26 H CYS 26 -9.605 8.923 -1.764 156 HA CYS 26 HA CYS 26 -12.499 8.432 -1.796 157 HB3 CYS 26 2HB CYS 26 -11.899 8.392 -4.391 158 H SER 27 H SER 27 -9.399 6.940 -2.455 159 HA SER 27 HA SER 27 -10.776 4.358 -2.754 160 HB3 SER 27 2HB SER 27 -9.900 5.262 -4.952 161 HG SER 27 HG SER 27 -7.462 4.678 -4.962 162 HA PRO 28 HA PRO 28 -7.695 4.172 0.688 163 HB3 PRO 28 2HB PRO 28 -9.353 4.505 2.244 164 HG3 PRO 28 2HG PRO 28 -11.572 4.008 1.757 165 HD3 PRO 28 2HD PRO 28 -11.033 5.275 -0.093 166 H LYS 29 H LYS 29 -7.616 1.884 2.163 167 HA LYS 29 HA LYS 29 -7.334 -0.258 0.160 168 HB3 LYS 29 2HB LYS 29 -5.279 -0.952 1.124 169 HG3 LYS 29 2HG LYS 29 -3.809 0.975 1.029 170 HD3 LYS 29 2HD LYS 29 -6.056 0.913 -0.971 171 HE3 LYS 29 2HE LYS 29 -3.468 2.457 -1.139 172 HZ1 LYS 29 3HZ LYS 29 -5.173 1.424 -3.152 173 HZ2 LYS 29 1HZ LYS 29 -3.717 2.269 -3.318 174 HZ3 LYS 29 2HZ LYS 29 -5.176 3.114 -3.203 175 H GLN 30 H GLN 30 -9.661 -0.265 1.355 176 HA GLN 30 HA GLN 30 -10.226 -1.148 3.807 177 HB3 GLN 30 2HB GLN 30 -11.435 -2.913 1.790 178 HG3 GLN 30 2HG GLN 30 -12.536 -0.868 3.699 179 HE21 GLN 30 1HE2 GLN 30 -14.734 -2.853 4.012 180 HE22 GLN 30 2HE2 GLN 30 -15.803 -2.546 2.691 181 H THR 31 H THR 31 -9.143 -2.485 5.090 182 HA THR 31 HA THR 31 -7.499 -4.598 4.168 183 HB THR 31 HB THR 31 -7.113 -5.145 6.462 184 HG1 THR 31 1HG THR 31 -9.029 -3.403 7.486 185 HG21 THR 31 3HG2 THR 31 -6.280 -3.119 7.271 186 HG22 THR 31 1HG2 THR 31 -7.609 -2.188 6.584 187 HG23 THR 31 2HG2 THR 31 -6.364 -2.856 5.530 188 H GLU 32 H GLU 32 -8.016 -6.711 5.882 189 HA GLU 32 HA GLU 32 -10.302 -7.921 4.543 190 HB3 GLU 32 2HB GLU 32 -8.821 -9.588 6.441 191 HG3 GLU 32 2HG GLU 32 -8.820 -10.024 3.501 192 H CYS 33 H CYS 33 -10.251 -5.989 6.987 193 HA CYS 33 HA CYS 33 -12.020 -7.620 8.691 194 HB3 CYS 33 2HB CYS 33 -9.860 -6.776 9.728 195 H GLY 34 H GLY 34 -11.586 -4.618 6.963 196 HA2 GLY 34 1HA GLY 34 -13.880 -3.880 6.087 197 HA3 GLY 34 2HA GLY 34 -14.277 -3.749 7.793 198 H HIS 35 H HIS 35 -12.103 -2.576 8.884 199 HA HIS 35 HA HIS 35 -12.454 0.110 8.457 200 HB3 HIS 35 2HB HIS 35 -10.221 0.416 9.550 201 HD2 HIS 35 2HD HIS 35 -12.410 1.145 11.310 202 HE1 HIS 35 1HE HIS 35 -12.273 -2.558 13.377 203 HE2 HIS 35 2HE HIS 35 -13.225 -0.225 13.347 204 H ARG 36 H ARG 36 -10.439 1.587 7.837 205 HA ARG 36 HA ARG 36 -9.195 0.657 5.364 206 HB3 ARG 36 2HB ARG 36 -9.868 2.838 4.257 207 HG3 ARG 36 2HG ARG 36 -11.685 0.576 4.791 208 HD3 ARG 36 2HD ARG 36 -12.917 2.497 3.010 209 HE ARG 36 HE ARG 36 -14.483 0.988 3.739 210 HH11 ARG 36 1HH1 ARG 36 -12.852 2.377 6.484 211 HH12 ARG 36 2HH1 ARG 36 -13.930 1.674 7.644 212 HH21 ARG 36 1HH2 ARG 36 -15.909 0.058 5.256 213 HH22 ARG 36 2HH2 ARG 36 -15.667 0.355 6.945 214 H PHE 37 H PHE 37 -7.474 2.085 4.614 215 HA PHE 37 HA PHE 37 -6.507 4.047 6.540 216 HB3 PHE 37 2HB PHE 37 -4.185 2.940 6.348 217 HD1 PHE 37 2HD PHE 37 -6.630 0.374 7.332 218 HD2 PHE 37 1HD PHE 37 -4.171 3.596 8.630 219 HE1 PHE 37 2HE PHE 37 -7.034 -0.266 9.673 220 HE2 PHE 37 1HE PHE 37 -4.570 2.961 10.974 221 HZ PHE 37 HZ PHE 37 -6.004 1.029 11.497 222 H CYS 38 H CYS 38 -4.389 5.049 5.671 223 HA CYS 38 HA CYS 38 -4.850 5.666 2.849 224 HB3 CYS 38 2HB CYS 38 -4.745 7.514 4.530 225 H GLU 39 H GLU 39 -2.853 6.128 1.527 226 HA GLU 39 HA GLU 39 -1.379 3.890 1.052 227 HB3 GLU 39 2HB GLU 39 0.403 5.606 0.164 228 HG3 GLU 39 2HG GLU 39 -2.288 5.963 -1.070 229 H SER 40 H SER 40 -0.056 6.727 2.767 230 HA SER 40 HA SER 40 2.327 5.655 3.598 231 HB3 SER 40 2HB SER 40 0.507 7.719 4.793 232 HG SER 40 HG SER 40 3.046 7.211 5.894 233 H CYS 41 H CYS 41 -0.106 6.147 6.102 234 HA CYS 41 HA CYS 41 0.687 4.430 7.977 235 HB3 CYS 41 2HB CYS 41 -1.699 4.052 8.592 236 H MET 42 H MET 42 -1.262 3.447 5.171 237 HA MET 42 HA MET 42 -1.568 0.762 5.752 238 HB3 MET 42 2HB MET 42 -1.233 2.154 3.096 239 HG3 MET 42 2HG MET 42 -0.865 -0.482 3.271 240 HE1 MET 42 3HE MET 42 -3.484 0.399 5.290 241 HE2 MET 42 1HE MET 42 -4.254 -1.184 5.416 242 HE3 MET 42 2HE MET 42 -2.502 -1.042 5.562 243 H ALA 43 H ALA 43 0.972 2.169 3.674 244 HA ALA 43 HA ALA 43 2.469 -0.181 3.394 245 HB1 ALA 43 3HB ALA 43 2.875 2.675 2.859 246 HB2 ALA 43 1HB ALA 43 4.355 1.759 3.145 247 HB3 ALA 43 2HB ALA 43 3.246 1.267 1.864 248 H ALA 44 H ALA 44 2.157 1.968 6.047 249 HA ALA 44 HA ALA 44 4.677 1.368 7.282 250 HB1 ALA 44 3HB ALA 44 4.113 2.908 8.840 251 HB2 ALA 44 1HB ALA 44 2.944 3.382 7.608 252 HB3 ALA 44 2HB ALA 44 2.444 2.349 8.949 253 H LEU 45 H LEU 45 1.304 0.412 7.910 254 HA LEU 45 HA LEU 45 1.841 -1.318 10.049 255 HB3 LEU 45 2HB LEU 45 -0.357 -2.303 9.560 256 HG LEU 45 HG LEU 45 -0.394 0.700 9.262 257 HD11 LEU 45 1HD1 LEU 45 -2.679 0.678 9.693 258 HD12 LEU 45 2HD1 LEU 45 -2.657 -0.994 10.254 259 HD13 LEU 45 3HD1 LEU 45 -2.467 -0.638 8.537 260 HD21 LEU 45 3HD2 LEU 45 0.270 -0.993 11.443 261 HD22 LEU 45 1HD2 LEU 45 -1.282 -0.230 11.790 262 HD23 LEU 45 2HD2 LEU 45 0.125 0.766 11.416 263 H LEU 46 H LEU 46 1.612 -1.936 6.565 264 HA LEU 46 HA LEU 46 1.834 -4.698 6.575 265 HB3 LEU 46 2HB LEU 46 2.779 -4.469 4.312 266 HG LEU 46 HG LEU 46 0.517 -2.540 4.823 267 HD11 LEU 46 1HD1 LEU 46 0.177 -2.331 2.555 268 HD12 LEU 46 2HD1 LEU 46 1.102 -3.782 2.172 269 HD13 LEU 46 3HD1 LEU 46 1.937 -2.307 2.655 270 HD21 LEU 46 3HD2 LEU 46 -0.739 -4.354 5.040 271 HD22 LEU 46 1HD2 LEU 46 0.685 -5.378 4.848 272 HD23 LEU 46 2HD2 LEU 46 -0.246 -4.889 3.432 273 H SER 47 H SER 47 4.264 -2.264 7.120 274 HA SER 47 HA SER 47 6.422 -4.222 6.995 275 HB3 SER 47 2HB SER 47 7.011 -1.477 7.925 276 HG SER 47 HG SER 47 8.705 -2.790 7.347 277 H SER 48 H SER 48 4.387 -4.481 9.036 278 HA SER 48 HA SER 48 5.956 -3.916 11.464 279 HB3 SER 48 2HB SER 48 3.002 -4.553 11.309 280 HG SER 48 HG SER 48 2.992 -3.898 13.411 281 H SER 49 H SER 49 6.365 -6.166 9.640 282 HA SER 49 HA SER 49 6.452 -8.465 9.598 283 HB3 SER 49 2HB SER 49 7.026 -8.272 12.541 284 HG SER 49 HG SER 49 8.635 -9.762 11.944 285 H SER 50 H SER 50 3.805 -7.311 10.314 286 HA SER 50 HA SER 50 2.249 -9.493 10.578 287 HB3 SER 50 2HB SER 50 3.002 -10.320 12.594 288 HG SER 50 HG SER 50 4.335 -9.130 13.675 289 HA PRO 51 HA PRO 51 0.263 -5.255 10.499 290 HB3 PRO 51 2HB PRO 51 0.862 -4.865 8.314 291 HG3 PRO 51 2HG PRO 51 1.380 -6.621 6.881 292 HD3 PRO 51 2HD PRO 51 2.711 -7.172 8.681 293 H LYS 52 H LYS 52 -1.614 -5.239 11.547 294 HA LYS 52 HA LYS 52 -3.614 -7.303 10.895 295 HB3 LYS 52 2HB LYS 52 -4.309 -7.355 13.126 296 HG3 LYS 52 2HG LYS 52 -1.349 -7.020 12.979 297 HD3 LYS 52 2HD LYS 52 -2.729 -7.795 15.529 298 HE3 LYS 52 2HE LYS 52 -0.059 -6.506 15.353 299 HZ1 LYS 52 3HZ LYS 52 -1.518 -8.225 17.155 300 HZ2 LYS 52 1HZ LYS 52 -0.298 -7.099 17.481 301 HZ3 LYS 52 2HZ LYS 52 0.106 -8.655 16.956 302 H CYS 53 H CYS 53 -3.688 -4.146 12.545 303 HA CYS 53 HA CYS 53 -4.849 -2.517 10.761 304 HB3 CYS 53 2HB CYS 53 -6.851 -4.517 11.738 305 H THR 54 H THR 54 -4.036 -0.932 12.046 306 HA THR 54 HA THR 54 -3.923 -0.530 14.668 307 HB THR 54 HB THR 54 -4.048 1.225 12.425 308 HG1 THR 54 1HG THR 54 -2.408 0.875 14.182 309 HG21 THR 54 3HG2 THR 54 -6.208 1.981 13.244 310 HG22 THR 54 1HG2 THR 54 -4.992 3.229 13.513 311 HG23 THR 54 2HG2 THR 54 -5.537 2.223 14.856 312 H ALA 55 H ALA 55 -6.883 -0.069 12.774 313 HA ALA 55 HA ALA 55 -8.565 0.956 14.699 314 HB1 ALA 55 3HB ALA 55 -10.087 0.721 13.097 315 HB2 ALA 55 1HB ALA 55 -8.851 -0.085 12.131 316 HB3 ALA 55 2HB ALA 55 -9.946 -1.036 13.136 317 H CYS 56 H CYS 56 -8.884 -2.456 13.785 318 HA CYS 56 HA CYS 56 -9.288 -3.088 16.633 319 HB3 CYS 56 2HB CYS 56 -11.295 -3.448 15.295 320 H GLN 57 H GLN 57 -7.571 -3.911 13.722 321 HA GLN 57 HA GLN 57 -5.557 -5.015 13.531 322 HB3 GLN 57 2HB GLN 57 -4.397 -5.828 15.377 323 HG3 GLN 57 2HG GLN 57 -5.883 -4.319 17.300 324 HE21 GLN 57 1HE2 GLN 57 -3.660 -3.104 14.858 325 HE22 GLN 57 2HE2 GLN 57 -2.297 -2.954 15.909 326 H GLU 58 H GLU 58 -6.248 -6.389 11.962 327 HA GLU 58 HA GLU 58 -7.098 -9.052 12.861 328 HB3 GLU 58 2HB GLU 58 -8.338 -8.656 10.378 329 HG3 GLU 58 2HG GLU 58 -10.455 -8.516 11.815 330 H SER 59 H SER 59 -6.292 -7.304 9.854 331 HA SER 59 HA SER 59 -3.864 -8.551 9.355 332 HB3 SER 59 2HB SER 59 -5.286 -9.925 7.336 333 HG SER 59 HG SER 59 -4.318 -11.210 9.636 334 H ILE 60 H ILE 60 -2.883 -7.357 7.859 335 HA ILE 60 HA ILE 60 -4.539 -6.019 5.822 336 HB ILE 60 HB ILE 60 -2.061 -4.662 6.722 337 HG13 ILE 60 2HG1 ILE 60 -3.242 -5.403 8.823 338 HG21 ILE 60 1HG2 ILE 60 -2.947 -2.990 5.558 339 HG22 ILE 60 2HG2 ILE 60 -4.247 -4.083 5.084 340 HG23 ILE 60 3HG2 ILE 60 -4.435 -3.052 6.502 341 HD11 ILE 60 3HD1 ILE 60 -2.020 -3.063 8.402 342 HD12 ILE 60 1HD1 ILE 60 -3.632 -2.485 8.823 343 HD13 ILE 60 2HD1 ILE 60 -2.746 -3.518 9.944 344 H VAL 61 H VAL 61 -4.054 -7.231 4.067 345 HA VAL 61 HA VAL 61 -1.204 -7.448 3.341 346 HB VAL 61 HB VAL 61 -3.437 -9.414 2.847 347 HG11 VAL 61 1HG1 VAL 61 -1.728 -10.726 1.582 348 HG12 VAL 61 2HG1 VAL 61 -2.250 -9.245 0.777 349 HG13 VAL 61 3HG1 VAL 61 -0.693 -9.297 1.605 350 HG21 VAL 61 3HG2 VAL 61 -2.608 -10.224 4.766 351 HG22 VAL 61 1HG2 VAL 61 -1.256 -10.780 3.779 352 HG23 VAL 61 2HG2 VAL 61 -1.141 -9.252 4.652 353 H LYS 62 H LYS 62 -0.662 -6.366 1.574 354 HA LYS 62 HA LYS 62 -2.224 -4.732 0.078 355 HB3 LYS 62 2HB LYS 62 0.098 -4.555 -0.240 356 HG3 LYS 62 2HG LYS 62 0.339 -7.241 -1.525 357 HD3 LYS 62 2HD LYS 62 2.137 -5.119 -0.485 358 HE3 LYS 62 2HE LYS 62 2.648 -8.064 -0.261 359 HZ1 LYS 62 3HZ LYS 62 5.039 -7.373 0.035 360 HZ2 LYS 62 1HZ LYS 62 4.638 -5.924 -0.740 361 HZ3 LYS 62 2HZ LYS 62 4.468 -7.396 -1.557 362 H ASP 63 H ASP 63 -1.459 -8.110 -0.732 363 HA ASP 63 HA ASP 63 -2.877 -8.293 -3.113 364 HB3 ASP 63 2HB ASP 63 -3.135 -10.779 -2.382 365 H LYS 64 H LYS 64 -3.995 -8.750 0.213 366 HA LYS 64 HA LYS 64 -6.707 -9.285 -0.675 367 HB3 LYS 64 2HB LYS 64 -7.219 -9.663 1.645 368 HG3 LYS 64 2HG LYS 64 -4.606 -10.818 1.983 369 HD3 LYS 64 2HD LYS 64 -6.878 -12.454 1.052 370 HE3 LYS 64 2HE LYS 64 -5.431 -12.593 3.676 371 HZ1 LYS 64 3HZ LYS 64 -5.772 -15.001 3.255 372 HZ2 LYS 64 1HZ LYS 64 -6.698 -14.600 1.897 373 HZ3 LYS 64 2HZ LYS 64 -7.211 -14.131 3.439 374 H VAL 65 H VAL 65 -4.958 -6.574 -0.501 375 HA VAL 65 HA VAL 65 -7.081 -4.907 0.650 376 HB VAL 65 HB VAL 65 -4.189 -4.651 0.444 377 HG11 VAL 65 1HG1 VAL 65 -5.874 -2.268 -0.317 378 HG12 VAL 65 2HG1 VAL 65 -4.152 -2.224 0.068 379 HG13 VAL 65 3HG1 VAL 65 -4.717 -3.103 -1.353 380 HG21 VAL 65 3HG2 VAL 65 -4.446 -3.875 2.529 381 HG22 VAL 65 1HG2 VAL 65 -5.672 -2.707 2.038 382 HG23 VAL 65 2HG2 VAL 65 -6.128 -4.379 2.364 383 H PHE 66 H PHE 66 -8.366 -3.678 -0.577 384 HA PHE 66 HA PHE 66 -8.515 -3.999 -3.352 385 HB3 PHE 66 2HB PHE 66 -9.982 -1.858 -3.163 386 HD1 PHE 66 2HD PHE 66 -11.050 -3.752 -4.431 387 HD2 PHE 66 1HD PHE 66 -10.970 -3.577 -0.178 388 HE1 PHE 66 2HE PHE 66 -12.892 -5.381 -4.333 389 HE2 PHE 66 1HE PHE 66 -12.811 -5.207 -0.074 390 HZ PHE 66 HZ PHE 66 -13.775 -6.110 -2.152 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -56.144 8.109 0.752 2 HA2 GLY 1 1HA GLY 1 -55.475 6.928 -1.726 3 HA3 GLY 1 2HA GLY 1 -55.637 8.664 -1.938 4 H SER 2 H SER 2 -53.343 6.562 -1.815 5 HA SER 2 HA SER 2 -51.676 7.244 0.342 6 HB3 SER 2 2HB SER 2 -49.845 6.293 -1.045 7 HG SER 2 HG SER 2 -52.296 4.862 -1.089 8 H SER 3 H SER 3 -49.726 8.515 0.334 9 HA SER 3 HA SER 3 -50.084 11.004 -1.146 10 HB3 SER 3 2HB SER 3 -48.178 11.758 0.415 11 HG SER 3 HG SER 3 -50.055 12.491 1.120 12 H GLY 4 H GLY 4 -48.936 11.477 -2.897 13 HA2 GLY 4 1HA GLY 4 -46.879 9.701 -3.827 14 HA3 GLY 4 2HA GLY 4 -47.441 11.160 -4.630 15 H SER 5 H SER 5 -44.779 9.802 -3.429 16 HA SER 5 HA SER 5 -43.484 12.379 -3.047 17 HB3 SER 5 2HB SER 5 -42.997 10.224 -0.999 18 HG SER 5 HG SER 5 -42.634 12.496 0.073 19 H SER 6 H SER 6 -42.848 11.447 -5.219 20 HA SER 6 HA SER 6 -41.000 9.248 -5.231 21 HB3 SER 6 2HB SER 6 -41.385 9.271 -7.441 22 HG SER 6 HG SER 6 -43.423 10.113 -6.779 23 H GLY 7 H GLY 7 -38.827 9.286 -5.118 24 HA2 GLY 7 1HA GLY 7 -37.570 11.824 -4.436 25 HA3 GLY 7 2HA GLY 7 -36.855 10.228 -4.266 26 H PHE 8 H PHE 8 -36.310 12.981 -5.737 27 HA PHE 8 HA PHE 8 -35.996 12.284 -8.469 28 HB3 PHE 8 2HB PHE 8 -35.117 14.399 -8.757 29 HD1 PHE 8 2HD PHE 8 -37.816 13.494 -7.528 30 HD2 PHE 8 1HD PHE 8 -35.019 16.544 -6.532 31 HE1 PHE 8 2HE PHE 8 -39.627 14.819 -6.517 32 HE2 PHE 8 1HE PHE 8 -36.824 17.873 -5.519 33 HZ PHE 8 HZ PHE 8 -39.132 17.012 -5.511 34 H VAL 9 H VAL 9 -34.085 11.840 -9.632 35 HA VAL 9 HA VAL 9 -32.325 10.016 -8.355 36 HB VAL 9 HB VAL 9 -33.046 10.369 -10.923 37 HG11 VAL 9 1HG1 VAL 9 -31.689 12.445 -11.082 38 HG12 VAL 9 2HG1 VAL 9 -30.243 11.474 -10.797 39 HG13 VAL 9 3HG1 VAL 9 -31.219 11.203 -12.242 40 HG21 VAL 9 3HG2 VAL 9 -30.377 9.169 -10.231 41 HG22 VAL 9 1HG2 VAL 9 -31.904 8.424 -9.757 42 HG23 VAL 9 2HG2 VAL 9 -31.524 8.650 -11.465 43 H LYS 10 H LYS 10 -30.422 10.328 -7.390 44 HA LYS 10 HA LYS 10 -28.639 12.446 -8.065 45 HB3 LYS 10 2HB LYS 10 -29.057 12.948 -5.302 46 HG3 LYS 10 2HG LYS 10 -29.641 14.592 -7.752 47 HD3 LYS 10 2HD LYS 10 -29.174 16.153 -5.408 48 HE3 LYS 10 2HE LYS 10 -31.554 15.817 -7.229 49 HZ1 LYS 10 3HZ LYS 10 -32.485 17.700 -6.310 50 HZ2 LYS 10 1HZ LYS 10 -31.049 18.196 -5.566 51 HZ3 LYS 10 2HZ LYS 10 -31.921 16.890 -4.937 52 H THR 11 H THR 11 -26.595 12.015 -7.378 53 HA THR 11 HA THR 11 -26.005 9.431 -6.411 54 HB THR 11 HB THR 11 -24.548 11.470 -7.607 55 HG1 THR 11 1HG THR 11 -23.097 9.368 -6.515 56 HG21 THR 11 3HG2 THR 11 -22.741 12.041 -6.214 57 HG22 THR 11 1HG2 THR 11 -23.178 10.831 -5.007 58 HG23 THR 11 2HG2 THR 11 -24.170 12.276 -5.208 59 H VAL 12 H VAL 12 -24.385 9.193 -4.504 60 HA VAL 12 HA VAL 12 -25.539 10.596 -2.181 61 HB VAL 12 HB VAL 12 -26.123 8.365 -1.866 62 HG11 VAL 12 1HG1 VAL 12 -23.416 7.678 -2.984 63 HG12 VAL 12 2HG1 VAL 12 -24.453 6.495 -2.183 64 HG13 VAL 12 3HG1 VAL 12 -25.002 7.298 -3.655 65 HG21 VAL 12 3HG2 VAL 12 -25.159 7.889 0.134 66 HG22 VAL 12 1HG2 VAL 12 -23.520 8.085 -0.486 67 HG23 VAL 12 2HG2 VAL 12 -24.487 9.505 -0.089 68 H GLU 13 H GLU 13 -23.941 12.285 -2.513 69 HA GLU 13 HA GLU 13 -21.250 12.146 -2.673 70 HB3 GLU 13 2HB GLU 13 -22.376 14.273 -2.537 71 HG3 GLU 13 2HG GLU 13 -22.636 14.368 0.369 72 H ASP 14 H ASP 14 -19.820 10.913 -1.666 73 HA ASP 14 HA ASP 14 -19.726 10.858 1.227 74 HB3 ASP 14 2HB ASP 14 -19.478 8.133 0.206 75 H LYS 15 H LYS 15 -17.873 8.961 1.686 76 HA LYS 15 HA LYS 15 -15.766 8.697 -0.117 77 HB3 LYS 15 2HB LYS 15 -15.285 10.971 -0.161 78 HG3 LYS 15 2HG LYS 15 -16.801 11.812 1.498 79 HD3 LYS 15 2HD LYS 15 -14.894 10.624 3.514 80 HE3 LYS 15 2HE LYS 15 -16.439 12.946 3.734 81 HZ1 LYS 15 3HZ LYS 15 -18.339 11.308 3.998 82 HZ2 LYS 15 1HZ LYS 15 -18.147 12.457 5.225 83 HZ3 LYS 15 2HZ LYS 15 -17.626 10.867 5.468 84 H TYR 16 H TYR 16 -13.590 8.344 1.165 85 HA TYR 16 HA TYR 16 -14.283 6.833 3.597 86 HB3 TYR 16 2HB TYR 16 -12.496 5.292 3.059 87 HD1 TYR 16 1HD TYR 16 -13.357 6.381 -0.349 88 HD2 TYR 16 2HD TYR 16 -14.364 3.793 2.874 89 HE1 TYR 16 1HE TYR 16 -14.845 5.113 -1.841 90 HE2 TYR 16 2HE TYR 16 -15.854 2.516 1.391 91 HH TYR 16 HH TYR 16 -16.446 3.538 -1.940 92 H LYS 17 H LYS 17 -12.301 6.474 5.037 93 HA LYS 17 HA LYS 17 -10.397 8.667 5.031 94 HB3 LYS 17 2HB LYS 17 -12.596 8.372 7.037 95 HG3 LYS 17 2HG LYS 17 -10.872 10.185 8.189 96 HD3 LYS 17 2HD LYS 17 -10.476 8.027 9.737 97 HE3 LYS 17 2HE LYS 17 -12.524 10.065 9.488 98 HZ1 LYS 17 3HZ LYS 17 -14.226 8.572 9.624 99 HZ2 LYS 17 1HZ LYS 17 -13.881 8.748 11.272 100 HZ3 LYS 17 2HZ LYS 17 -13.307 7.400 10.427 101 H CYS 18 H CYS 18 -8.506 8.184 6.070 102 HA CYS 18 HA CYS 18 -7.897 5.473 6.532 103 HB3 CYS 18 2HB CYS 18 -6.414 8.010 7.227 104 H GLU 19 H GLU 19 -7.709 4.270 8.366 105 HA GLU 19 HA GLU 19 -9.105 5.253 10.704 106 HB3 GLU 19 2HB GLU 19 -8.280 2.783 11.427 107 HG3 GLU 19 2HG GLU 19 -10.373 1.935 10.840 108 H LYS 20 H LYS 20 -6.434 6.324 9.957 109 HA LYS 20 HA LYS 20 -5.115 5.824 12.536 110 HB3 LYS 20 2HB LYS 20 -3.191 6.507 10.499 111 HG3 LYS 20 2HG LYS 20 -3.569 4.229 12.402 112 HD3 LYS 20 2HD LYS 20 -1.268 4.510 10.474 113 HE3 LYS 20 2HE LYS 20 -0.351 2.671 11.455 114 HZ1 LYS 20 3HZ LYS 20 -0.427 4.204 13.252 115 HZ2 LYS 20 1HZ LYS 20 -0.785 2.676 13.886 116 HZ3 LYS 20 2HZ LYS 20 -2.025 3.797 13.629 117 H CYS 21 H CYS 21 -4.756 7.938 9.680 118 HA CYS 21 HA CYS 21 -4.384 10.212 11.492 119 HB3 CYS 21 2HB CYS 21 -2.612 10.052 9.914 120 H HIS 22 H HIS 22 -6.878 8.743 10.052 121 HA HIS 22 HA HIS 22 -8.995 9.345 9.475 122 HB3 HIS 22 2HB HIS 22 -9.873 10.756 10.976 123 HD2 HIS 22 2HD HIS 22 -7.697 9.068 12.522 124 HE1 HIS 22 1HE HIS 22 -6.383 12.730 14.212 125 HE2 HIS 22 2HE HIS 22 -6.277 10.218 14.352 126 H LEU 23 H LEU 23 -6.710 9.901 7.672 127 HA LEU 23 HA LEU 23 -7.232 12.328 6.277 128 HB3 LEU 23 2HB LEU 23 -5.992 10.690 4.457 129 HG LEU 23 HG LEU 23 -4.824 12.472 6.563 130 HD11 LEU 23 1HD1 LEU 23 -2.843 11.760 4.654 131 HD12 LEU 23 2HD1 LEU 23 -3.462 10.283 5.391 132 HD13 LEU 23 3HD1 LEU 23 -2.809 11.568 6.408 133 HD21 LEU 23 3HD2 LEU 23 -4.623 13.992 4.890 134 HD22 LEU 23 1HD2 LEU 23 -5.977 13.072 4.236 135 HD23 LEU 23 2HD2 LEU 23 -4.341 12.765 3.655 136 H VAL 24 H VAL 24 -8.937 12.748 5.054 137 HA VAL 24 HA VAL 24 -10.789 10.754 4.236 138 HB VAL 24 HB VAL 24 -10.559 13.632 3.347 139 HG11 VAL 24 1HG1 VAL 24 -13.201 12.876 3.164 140 HG12 VAL 24 2HG1 VAL 24 -12.075 13.046 1.816 141 HG13 VAL 24 3HG1 VAL 24 -12.334 11.466 2.556 142 HG21 VAL 24 3HG2 VAL 24 -10.924 13.699 5.654 143 HG22 VAL 24 1HG2 VAL 24 -12.542 13.832 4.965 144 HG23 VAL 24 2HG2 VAL 24 -11.987 12.292 5.621 145 H LEU 25 H LEU 25 -10.466 9.362 2.637 146 HA LEU 25 HA LEU 25 -9.077 10.303 0.216 147 HB3 LEU 25 2HB LEU 25 -7.616 8.654 0.409 148 HG LEU 25 HG LEU 25 -9.051 8.133 2.962 149 HD11 LEU 25 1HD1 LEU 25 -6.799 6.335 2.508 150 HD12 LEU 25 2HD1 LEU 25 -8.205 5.973 1.509 151 HD13 LEU 25 3HD1 LEU 25 -8.363 6.031 3.263 152 HD21 LEU 25 3HD2 LEU 25 -6.731 8.409 3.823 153 HD22 LEU 25 1HD2 LEU 25 -7.340 9.811 2.943 154 HD23 LEU 25 2HD2 LEU 25 -6.200 8.710 2.168 155 H CYS 26 H CYS 26 -9.588 8.808 -1.706 156 HA CYS 26 HA CYS 26 -12.502 8.425 -1.768 157 HB3 CYS 26 2HB CYS 26 -11.840 8.334 -4.365 158 H SER 27 H SER 27 -9.429 6.872 -2.463 159 HA SER 27 HA SER 27 -10.854 4.309 -2.691 160 HB3 SER 27 2HB SER 27 -10.036 5.164 -4.925 161 HG SER 27 HG SER 27 -7.474 4.360 -4.445 162 HA PRO 28 HA PRO 28 -7.681 4.110 0.665 163 HB3 PRO 28 2HB PRO 28 -9.293 4.474 2.261 164 HG3 PRO 28 2HG PRO 28 -11.529 3.998 1.837 165 HD3 PRO 28 2HD PRO 28 -11.027 5.244 -0.035 166 H LYS 29 H LYS 29 -7.589 1.833 2.155 167 HA LYS 29 HA LYS 29 -7.368 -0.322 0.158 168 HB3 LYS 29 2HB LYS 29 -5.314 -1.045 1.115 169 HG3 LYS 29 2HG LYS 29 -3.820 0.874 0.997 170 HD3 LYS 29 2HD LYS 29 -6.053 0.774 -1.017 171 HE3 LYS 29 2HE LYS 29 -3.569 2.457 -0.978 172 HZ1 LYS 29 3HZ LYS 29 -4.914 1.252 -3.298 173 HZ2 LYS 29 1HZ LYS 29 -3.264 1.519 -3.033 174 HZ3 LYS 29 2HZ LYS 29 -4.276 2.814 -3.432 175 H GLN 30 H GLN 30 -9.684 -0.271 1.399 176 HA GLN 30 HA GLN 30 -10.230 -1.151 3.852 177 HB3 GLN 30 2HB GLN 30 -11.466 -2.862 1.778 178 HG3 GLN 30 2HG GLN 30 -12.612 -0.944 3.794 179 HE21 GLN 30 1HE2 GLN 30 -14.861 -1.117 4.107 180 HE22 GLN 30 2HE2 GLN 30 -15.900 -1.671 2.844 181 H THR 31 H THR 31 -9.083 -2.476 5.100 182 HA THR 31 HA THR 31 -7.502 -4.616 4.171 183 HB THR 31 HB THR 31 -7.107 -5.176 6.457 184 HG1 THR 31 1HG THR 31 -9.533 -3.783 6.919 185 HG21 THR 31 3HG2 THR 31 -6.375 -2.869 5.529 186 HG22 THR 31 1HG2 THR 31 -6.240 -3.172 7.261 187 HG23 THR 31 2HG2 THR 31 -7.589 -2.223 6.634 188 H GLU 32 H GLU 32 -8.039 -6.730 5.887 189 HA GLU 32 HA GLU 32 -10.338 -7.913 4.544 190 HB3 GLU 32 2HB GLU 32 -8.556 -9.382 6.457 191 HG3 GLU 32 2HG GLU 32 -8.968 -10.804 4.079 192 H CYS 33 H CYS 33 -10.259 -5.992 6.998 193 HA CYS 33 HA CYS 33 -12.032 -7.612 8.706 194 HB3 CYS 33 2HB CYS 33 -9.868 -6.768 9.734 195 H GLY 34 H GLY 34 -11.597 -4.609 6.977 196 HA2 GLY 34 1HA GLY 34 -13.890 -3.870 6.102 197 HA3 GLY 34 2HA GLY 34 -14.289 -3.743 7.807 198 H HIS 35 H HIS 35 -12.050 -2.597 8.868 199 HA HIS 35 HA HIS 35 -12.422 0.104 8.446 200 HB3 HIS 35 2HB HIS 35 -10.202 0.405 9.562 201 HD2 HIS 35 2HD HIS 35 -12.443 1.129 11.277 202 HE1 HIS 35 1HE HIS 35 -12.275 -2.545 13.391 203 HE2 HIS 35 2HE HIS 35 -13.262 -0.229 13.320 204 H ARG 36 H ARG 36 -10.499 1.613 7.791 205 HA ARG 36 HA ARG 36 -9.204 0.656 5.346 206 HB3 ARG 36 2HB ARG 36 -9.856 2.885 4.273 207 HG3 ARG 36 2HG ARG 36 -11.620 0.556 4.668 208 HD3 ARG 36 2HD ARG 36 -12.909 2.422 2.912 209 HE ARG 36 HE ARG 36 -14.401 0.881 3.738 210 HH11 ARG 36 1HH1 ARG 36 -12.855 2.549 6.373 211 HH12 ARG 36 2HH1 ARG 36 -13.923 1.909 7.578 212 HH21 ARG 36 1HH2 ARG 36 -15.813 0.030 5.315 213 HH22 ARG 36 2HH2 ARG 36 -15.604 0.474 6.975 214 H PHE 37 H PHE 37 -7.481 2.090 4.594 215 HA PHE 37 HA PHE 37 -6.504 4.039 6.528 216 HB3 PHE 37 2HB PHE 37 -4.187 2.917 6.333 217 HD1 PHE 37 1HD PHE 37 -6.678 0.394 7.330 218 HD2 PHE 37 2HD PHE 37 -4.138 3.559 8.613 219 HE1 PHE 37 1HE PHE 37 -7.084 -0.235 9.674 220 HE2 PHE 37 2HE PHE 37 -4.538 2.934 10.958 221 HZ PHE 37 HZ PHE 37 -6.012 1.035 11.492 222 H CYS 38 H CYS 38 -4.402 5.054 5.670 223 HA CYS 38 HA CYS 38 -4.844 5.664 2.842 224 HB3 CYS 38 2HB CYS 38 -4.747 7.512 4.526 225 H GLU 39 H GLU 39 -2.869 6.090 1.506 226 HA GLU 39 HA GLU 39 -1.383 3.864 1.052 227 HB3 GLU 39 2HB GLU 39 0.402 5.590 0.170 228 HG3 GLU 39 2HG GLU 39 -2.373 5.644 -0.987 229 H SER 40 H SER 40 -0.064 6.709 2.757 230 HA SER 40 HA SER 40 2.318 5.644 3.597 231 HB3 SER 40 2HB SER 40 0.491 7.703 4.790 232 HG SER 40 HG SER 40 2.968 7.595 5.928 233 H CYS 41 H CYS 41 -0.120 6.137 6.097 234 HA CYS 41 HA CYS 41 0.673 4.426 7.976 235 HB3 CYS 41 2HB CYS 41 -1.716 4.041 8.584 236 H MET 42 H MET 42 -1.276 3.431 5.174 237 HA MET 42 HA MET 42 -1.571 0.747 5.763 238 HB3 MET 42 2HB MET 42 -1.250 2.134 3.103 239 HG3 MET 42 2HG MET 42 -0.869 -0.500 3.281 240 HE1 MET 42 3HE MET 42 -2.509 -1.054 5.584 241 HE2 MET 42 1HE MET 42 -3.487 0.386 5.299 242 HE3 MET 42 2HE MET 42 -4.260 -1.193 5.434 243 H ALA 43 H ALA 43 0.962 2.164 3.683 244 HA ALA 43 HA ALA 43 2.466 -0.179 3.392 245 HB1 ALA 43 3HB ALA 43 3.149 2.729 3.132 246 HB2 ALA 43 1HB ALA 43 4.365 1.473 2.898 247 HB3 ALA 43 2HB ALA 43 2.936 1.521 1.864 248 H ALA 44 H ALA 44 2.179 1.995 6.042 249 HA ALA 44 HA ALA 44 4.690 1.373 7.277 250 HB1 ALA 44 3HB ALA 44 2.244 2.538 8.593 251 HB2 ALA 44 1HB ALA 44 3.920 2.659 9.132 252 HB3 ALA 44 2HB ALA 44 3.405 3.484 7.661 253 H LEU 45 H LEU 45 1.315 0.425 7.896 254 HA LEU 45 HA LEU 45 1.839 -1.300 10.043 255 HB3 LEU 45 2HB LEU 45 -0.356 -2.292 9.533 256 HG LEU 45 HG LEU 45 -0.391 0.714 9.268 257 HD11 LEU 45 1HD1 LEU 45 -2.699 0.626 9.877 258 HD12 LEU 45 2HD1 LEU 45 -2.634 -1.124 10.083 259 HD13 LEU 45 3HD1 LEU 45 -2.466 -0.418 8.475 260 HD21 LEU 45 3HD2 LEU 45 0.226 -1.026 11.442 261 HD22 LEU 45 1HD2 LEU 45 -1.295 -0.200 11.781 262 HD23 LEU 45 2HD2 LEU 45 0.155 0.736 11.417 263 H LEU 46 H LEU 46 1.623 -1.930 6.561 264 HA LEU 46 HA LEU 46 1.848 -4.692 6.583 265 HB3 LEU 46 2HB LEU 46 2.783 -4.478 4.322 266 HG LEU 46 HG LEU 46 0.526 -2.555 4.859 267 HD11 LEU 46 1HD1 LEU 46 0.150 -2.361 2.554 268 HD12 LEU 46 2HD1 LEU 46 1.287 -3.653 2.171 269 HD13 LEU 46 3HD1 LEU 46 1.883 -2.099 2.753 270 HD21 LEU 46 3HD2 LEU 46 -0.870 -4.302 4.629 271 HD22 LEU 46 1HD2 LEU 46 0.546 -5.253 5.074 272 HD23 LEU 46 2HD2 LEU 46 0.114 -5.059 3.375 273 H SER 47 H SER 47 4.275 -2.252 7.117 274 HA SER 47 HA SER 47 6.435 -4.208 7.008 275 HB3 SER 47 2HB SER 47 7.163 -1.547 7.958 276 HG SER 47 HG SER 47 8.756 -1.861 6.544 277 H SER 48 H SER 48 4.399 -4.467 9.045 278 HA SER 48 HA SER 48 5.961 -3.889 11.474 279 HB3 SER 48 2HB SER 48 2.992 -4.417 11.184 280 HG SER 48 HG SER 48 4.650 -4.455 13.333 281 H SER 49 H SER 49 6.376 -6.145 9.658 282 HA SER 49 HA SER 49 6.465 -8.445 9.623 283 HB3 SER 49 2HB SER 49 7.220 -9.217 12.081 284 HG SER 49 HG SER 49 9.049 -7.533 10.838 285 H SER 50 H SER 50 3.816 -7.291 10.333 286 HA SER 50 HA SER 50 2.262 -9.473 10.600 287 HB3 SER 50 2HB SER 50 2.968 -10.307 12.619 288 HG SER 50 HG SER 50 3.265 -8.278 14.274 289 HA PRO 51 HA PRO 51 0.272 -5.238 10.506 290 HB3 PRO 51 2HB PRO 51 0.872 -4.854 8.321 291 HG3 PRO 51 2HG PRO 51 1.394 -6.614 6.894 292 HD3 PRO 51 2HD PRO 51 2.725 -7.157 8.697 293 H LYS 52 H LYS 52 -1.604 -5.226 11.558 294 HA LYS 52 HA LYS 52 -3.602 -7.292 10.908 295 HB3 LYS 52 2HB LYS 52 -4.327 -7.295 13.145 296 HG3 LYS 52 2HG LYS 52 -1.366 -7.143 12.934 297 HD3 LYS 52 2HD LYS 52 -2.682 -7.733 15.561 298 HE3 LYS 52 2HE LYS 52 0.099 -6.923 14.720 299 HZ1 LYS 52 3HZ LYS 52 -1.194 -6.827 17.278 300 HZ2 LYS 52 1HZ LYS 52 0.290 -6.176 16.793 301 HZ3 LYS 52 2HZ LYS 52 0.198 -7.789 17.291 302 H CYS 53 H CYS 53 -3.684 -4.131 12.551 303 HA CYS 53 HA CYS 53 -4.843 -2.508 10.760 304 HB3 CYS 53 2HB CYS 53 -6.843 -4.509 11.735 305 H THR 54 H THR 54 -4.033 -0.920 12.047 306 HA THR 54 HA THR 54 -3.929 -0.514 14.669 307 HB THR 54 HB THR 54 -4.054 1.239 12.420 308 HG1 THR 54 1HG THR 54 -3.199 2.362 14.752 309 HG21 THR 54 3HG2 THR 54 -5.550 2.227 14.851 310 HG22 THR 54 1HG2 THR 54 -6.208 2.005 13.230 311 HG23 THR 54 2HG2 THR 54 -4.990 3.244 13.525 312 H ALA 55 H ALA 55 -6.885 -0.072 12.764 313 HA ALA 55 HA ALA 55 -8.575 0.960 14.681 314 HB1 ALA 55 3HB ALA 55 -10.099 0.710 13.082 315 HB2 ALA 55 1HB ALA 55 -8.851 -0.079 12.116 316 HB3 ALA 55 2HB ALA 55 -9.938 -1.046 13.114 317 H CYS 56 H CYS 56 -8.875 -2.457 13.776 318 HA CYS 56 HA CYS 56 -9.287 -3.082 16.626 319 HB3 CYS 56 2HB CYS 56 -11.293 -3.450 15.294 320 H GLN 57 H GLN 57 -7.558 -3.903 13.723 321 HA GLN 57 HA GLN 57 -5.542 -5.004 13.538 322 HB3 GLN 57 2HB GLN 57 -4.397 -5.842 15.391 323 HG3 GLN 57 2HG GLN 57 -5.804 -4.300 17.320 324 HE21 GLN 57 1HE2 GLN 57 -3.818 -2.822 14.871 325 HE22 GLN 57 2HE2 GLN 57 -2.368 -2.750 15.806 326 H GLU 58 H GLU 58 -6.232 -6.377 11.966 327 HA GLU 58 HA GLU 58 -7.080 -9.042 12.859 328 HB3 GLU 58 2HB GLU 58 -8.302 -8.616 10.360 329 HG3 GLU 58 2HG GLU 58 -10.394 -8.391 12.000 330 H SER 59 H SER 59 -6.271 -7.298 9.851 331 HA SER 59 HA SER 59 -3.837 -8.537 9.363 332 HB3 SER 59 2HB SER 59 -5.291 -9.911 7.348 333 HG SER 59 HG SER 59 -3.503 -10.901 7.963 334 H ILE 60 H ILE 60 -2.854 -7.340 7.870 335 HA ILE 60 HA ILE 60 -4.507 -6.014 5.823 336 HB ILE 60 HB ILE 60 -2.043 -4.638 6.733 337 HG13 ILE 60 2HG1 ILE 60 -3.226 -5.387 8.831 338 HG21 ILE 60 1HG2 ILE 60 -4.389 -3.015 6.518 339 HG22 ILE 60 2HG2 ILE 60 -2.934 -3.006 5.523 340 HG23 ILE 60 3HG2 ILE 60 -4.274 -4.078 5.116 341 HD11 ILE 60 3HD1 ILE 60 -1.981 -3.085 8.468 342 HD12 ILE 60 1HD1 ILE 60 -3.602 -2.451 8.753 343 HD13 ILE 60 2HD1 ILE 60 -2.825 -3.468 9.968 344 H VAL 61 H VAL 61 -4.001 -7.051 3.993 345 HA VAL 61 HA VAL 61 -1.146 -7.303 3.311 346 HB VAL 61 HB VAL 61 -3.339 -9.288 2.697 347 HG11 VAL 61 1HG1 VAL 61 -2.174 -9.878 0.902 348 HG12 VAL 61 2HG1 VAL 61 -0.915 -8.699 1.278 349 HG13 VAL 61 3HG1 VAL 61 -0.837 -10.324 1.963 350 HG21 VAL 61 3HG2 VAL 61 -1.636 -10.806 3.901 351 HG22 VAL 61 1HG2 VAL 61 -0.962 -9.299 4.522 352 HG23 VAL 61 2HG2 VAL 61 -2.637 -9.728 4.873 353 H LYS 62 H LYS 62 -0.624 -6.175 1.568 354 HA LYS 62 HA LYS 62 -2.214 -4.575 0.066 355 HB3 LYS 62 2HB LYS 62 0.151 -4.405 -0.168 356 HG3 LYS 62 2HG LYS 62 0.533 -6.796 -1.832 357 HD3 LYS 62 2HD LYS 62 2.133 -4.891 -0.662 358 HE3 LYS 62 2HE LYS 62 3.061 -7.314 0.717 359 HZ1 LYS 62 3HZ LYS 62 4.250 -5.788 1.770 360 HZ2 LYS 62 1HZ LYS 62 2.865 -4.958 2.276 361 HZ3 LYS 62 2HZ LYS 62 3.567 -4.600 0.780 362 H ASP 63 H ASP 63 -1.328 -7.915 -0.791 363 HA ASP 63 HA ASP 63 -2.768 -8.094 -3.167 364 HB3 ASP 63 2HB ASP 63 -2.365 -10.360 -1.210 365 H LYS 64 H LYS 64 -3.790 -8.724 0.161 366 HA LYS 64 HA LYS 64 -6.486 -9.381 -0.693 367 HB3 LYS 64 2HB LYS 64 -6.916 -9.961 1.562 368 HG3 LYS 64 2HG LYS 64 -4.928 -11.271 2.320 369 HD3 LYS 64 2HD LYS 64 -5.324 -11.728 -0.611 370 HE3 LYS 64 2HE LYS 64 -3.974 -13.313 0.685 371 HZ1 LYS 64 3HZ LYS 64 -5.194 -14.726 2.318 372 HZ2 LYS 64 1HZ LYS 64 -6.438 -13.580 2.312 373 HZ3 LYS 64 2HZ LYS 64 -4.893 -13.147 2.847 374 H VAL 65 H VAL 65 -4.812 -6.582 -0.254 375 HA VAL 65 HA VAL 65 -6.956 -5.066 0.995 376 HB VAL 65 HB VAL 65 -4.138 -4.674 0.600 377 HG11 VAL 65 1HG1 VAL 65 -5.883 -2.382 -0.293 378 HG12 VAL 65 2HG1 VAL 65 -4.144 -2.304 -0.006 379 HG13 VAL 65 3HG1 VAL 65 -4.780 -3.304 -1.312 380 HG21 VAL 65 3HG2 VAL 65 -4.846 -4.363 2.757 381 HG22 VAL 65 1HG2 VAL 65 -4.797 -2.689 2.206 382 HG23 VAL 65 2HG2 VAL 65 -6.333 -3.551 2.269 383 H PHE 66 H PHE 66 -8.057 -3.347 -0.015 384 HA PHE 66 HA PHE 66 -8.147 -3.558 -2.952 385 HB3 PHE 66 2HB PHE 66 -10.475 -2.800 -2.805 386 HD1 PHE 66 1HD PHE 66 -10.209 -4.668 0.336 387 HD2 PHE 66 2HD PHE 66 -10.738 -4.927 -3.880 388 HE1 PHE 66 1HE PHE 66 -10.915 -7.013 0.572 389 HE2 PHE 66 2HE PHE 66 -11.447 -7.273 -3.649 390 HZ PHE 66 HZ PHE 66 -11.536 -8.318 -1.421 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -39.176 29.672 11.103 2 HA2 GLY 1 1HA GLY 1 -41.412 27.970 11.958 3 HA3 GLY 1 2HA GLY 1 -40.485 27.494 10.543 4 H SER 2 H SER 2 -38.939 26.066 10.915 5 HA SER 2 HA SER 2 -37.326 24.836 11.945 6 HB3 SER 2 2HB SER 2 -37.074 27.489 13.294 7 HG SER 2 HG SER 2 -35.287 26.570 14.492 8 H SER 3 H SER 3 -36.676 23.932 14.193 9 HA SER 3 HA SER 3 -39.049 23.721 15.916 10 HB3 SER 3 2HB SER 3 -37.607 21.226 15.860 11 HG SER 3 HG SER 3 -40.226 21.909 14.998 12 H GLY 4 H GLY 4 -38.619 23.098 18.105 13 HA2 GLY 4 1HA GLY 4 -35.884 23.821 18.935 14 HA3 GLY 4 2HA GLY 4 -37.325 24.030 19.918 15 H SER 5 H SER 5 -37.610 21.109 18.414 16 HA SER 5 HA SER 5 -36.900 19.700 20.850 17 HB3 SER 5 2HB SER 5 -38.736 18.559 20.241 18 HG SER 5 HG SER 5 -39.850 19.296 18.615 19 H SER 6 H SER 6 -36.056 17.303 20.235 20 HA SER 6 HA SER 6 -34.044 17.222 18.204 21 HB3 SER 6 2HB SER 6 -32.703 16.856 20.786 22 HG SER 6 HG SER 6 -31.325 18.483 19.521 23 H GLY 7 H GLY 7 -33.135 15.155 17.944 24 HA2 GLY 7 1HA GLY 7 -33.236 13.015 19.685 25 HA3 GLY 7 2HA GLY 7 -34.788 13.018 18.860 26 H PHE 8 H PHE 8 -34.910 11.871 17.054 27 HA PHE 8 HA PHE 8 -33.116 10.196 16.014 28 HB3 PHE 8 2HB PHE 8 -34.557 11.672 13.896 29 HD1 PHE 8 1HD PHE 8 -35.088 8.527 15.827 30 HD2 PHE 8 2HD PHE 8 -34.096 10.320 12.096 31 HE1 PHE 8 1HE PHE 8 -35.047 6.304 14.773 32 HE2 PHE 8 2HE PHE 8 -34.055 8.100 11.036 33 HZ PHE 8 HZ PHE 8 -34.533 6.089 12.374 34 H VAL 9 H VAL 9 -30.991 10.727 15.901 35 HA VAL 9 HA VAL 9 -30.181 13.112 14.423 36 HB VAL 9 HB VAL 9 -29.104 12.636 16.597 37 HG11 VAL 9 1HG1 VAL 9 -27.979 10.725 17.094 38 HG12 VAL 9 2HG1 VAL 9 -29.138 10.056 15.943 39 HG13 VAL 9 3HG1 VAL 9 -27.497 10.442 15.421 40 HG21 VAL 9 3HG2 VAL 9 -27.055 12.349 14.420 41 HG22 VAL 9 1HG2 VAL 9 -27.981 13.833 14.638 42 HG23 VAL 9 2HG2 VAL 9 -26.938 13.247 15.933 43 H LYS 10 H LYS 10 -29.754 12.991 12.331 44 HA LYS 10 HA LYS 10 -29.267 10.401 11.092 45 HB3 LYS 10 2HB LYS 10 -29.159 12.465 9.161 46 HG3 LYS 10 2HG LYS 10 -31.780 11.231 9.545 47 HD3 LYS 10 2HD LYS 10 -29.938 10.683 7.268 48 HE3 LYS 10 2HE LYS 10 -32.854 11.437 7.445 49 HZ1 LYS 10 3HZ LYS 10 -32.991 11.139 5.202 50 HZ2 LYS 10 1HZ LYS 10 -31.634 10.133 5.121 51 HZ3 LYS 10 2HZ LYS 10 -31.438 11.804 5.298 52 H THR 11 H THR 11 -27.428 9.853 9.963 53 HA THR 11 HA THR 11 -25.150 11.709 10.197 54 HB THR 11 HB THR 11 -24.499 8.833 10.163 55 HG1 THR 11 1HG THR 11 -26.414 9.188 11.638 56 HG21 THR 11 3HG2 THR 11 -23.540 11.324 11.520 57 HG22 THR 11 1HG2 THR 11 -22.659 10.210 10.474 58 HG23 THR 11 2HG2 THR 11 -23.053 9.742 12.128 59 H VAL 12 H VAL 12 -24.012 12.064 8.388 60 HA VAL 12 HA VAL 12 -24.466 10.275 6.090 61 HB VAL 12 HB VAL 12 -25.690 12.305 5.661 62 HG11 VAL 12 1HG1 VAL 12 -23.598 13.527 7.104 63 HG12 VAL 12 2HG1 VAL 12 -23.594 14.236 5.487 64 HG13 VAL 12 3HG1 VAL 12 -25.062 14.276 6.465 65 HG21 VAL 12 3HG2 VAL 12 -24.623 11.364 3.732 66 HG22 VAL 12 1HG2 VAL 12 -24.493 13.120 3.630 67 HG23 VAL 12 2HG2 VAL 12 -23.099 12.160 4.126 68 H GLU 13 H GLU 13 -22.641 9.283 5.565 69 HA GLU 13 HA GLU 13 -20.079 10.558 6.177 70 HB3 GLU 13 2HB GLU 13 -19.341 8.135 5.318 71 HG3 GLU 13 2HG GLU 13 -20.332 8.973 8.000 72 H ASP 14 H ASP 14 -18.736 11.302 4.653 73 HA ASP 14 HA ASP 14 -19.388 10.717 1.838 74 HB3 ASP 14 2HB ASP 14 -18.093 13.104 1.685 75 H LYS 15 H LYS 15 -17.839 9.690 0.777 76 HA LYS 15 HA LYS 15 -15.804 8.909 0.129 77 HB3 LYS 15 2HB LYS 15 -13.952 10.351 0.185 78 HG3 LYS 15 2HG LYS 15 -16.505 11.564 -0.241 79 HD3 LYS 15 2HD LYS 15 -15.414 12.980 1.706 80 HE3 LYS 15 2HE LYS 15 -13.281 13.202 0.329 81 HZ1 LYS 15 3HZ LYS 15 -14.536 15.473 -1.011 82 HZ2 LYS 15 1HZ LYS 15 -14.798 13.941 -1.679 83 HZ3 LYS 15 2HZ LYS 15 -13.222 14.523 -1.494 84 H TYR 16 H TYR 16 -13.650 8.097 1.020 85 HA TYR 16 HA TYR 16 -14.196 6.828 3.584 86 HB3 TYR 16 2HB TYR 16 -12.385 5.318 3.030 87 HD1 TYR 16 2HD TYR 16 -13.317 6.456 -0.350 88 HD2 TYR 16 1HD TYR 16 -14.189 3.761 2.825 89 HE1 TYR 16 2HE TYR 16 -14.793 5.180 -1.847 90 HE2 TYR 16 1HE TYR 16 -15.666 2.477 1.337 91 HH TYR 16 HH TYR 16 -16.599 3.636 -1.775 92 H LYS 17 H LYS 17 -12.222 6.481 5.030 93 HA LYS 17 HA LYS 17 -10.329 8.681 5.046 94 HB3 LYS 17 2HB LYS 17 -12.545 8.383 7.033 95 HG3 LYS 17 2HG LYS 17 -10.826 10.208 8.186 96 HD3 LYS 17 2HD LYS 17 -10.460 8.062 9.758 97 HE3 LYS 17 2HE LYS 17 -12.402 10.160 9.521 98 HZ1 LYS 17 3HZ LYS 17 -13.615 7.690 9.640 99 HZ2 LYS 17 1HZ LYS 17 -14.325 9.188 9.974 100 HZ3 LYS 17 2HZ LYS 17 -13.653 8.272 11.228 101 H CYS 18 H CYS 18 -8.447 8.200 6.101 102 HA CYS 18 HA CYS 18 -7.836 5.492 6.569 103 HB3 CYS 18 2HB CYS 18 -6.373 8.036 7.273 104 H GLU 19 H GLU 19 -7.635 4.292 8.412 105 HA GLU 19 HA GLU 19 -9.074 5.262 10.731 106 HB3 GLU 19 2HB GLU 19 -8.190 2.780 11.432 107 HG3 GLU 19 2HG GLU 19 -10.308 1.937 10.927 108 H LYS 20 H LYS 20 -6.420 6.373 10.032 109 HA LYS 20 HA LYS 20 -5.133 5.890 12.628 110 HB3 LYS 20 2HB LYS 20 -3.154 6.535 10.645 111 HG3 LYS 20 2HG LYS 20 -3.630 4.242 12.507 112 HD3 LYS 20 2HD LYS 20 -1.280 4.509 10.634 113 HE3 LYS 20 2HE LYS 20 -0.331 2.784 11.720 114 HZ1 LYS 20 3HZ LYS 20 -0.977 4.326 13.535 115 HZ2 LYS 20 1HZ LYS 20 -0.774 2.724 14.042 116 HZ3 LYS 20 2HZ LYS 20 -2.329 3.355 13.838 117 H CYS 21 H CYS 21 -4.733 7.957 9.743 118 HA CYS 21 HA CYS 21 -4.373 10.259 11.523 119 HB3 CYS 21 2HB CYS 21 -2.587 10.050 9.954 120 H HIS 22 H HIS 22 -6.861 8.774 10.101 121 HA HIS 22 HA HIS 22 -8.973 9.372 9.501 122 HB3 HIS 22 2HB HIS 22 -9.864 10.849 10.933 123 HD2 HIS 22 2HD HIS 22 -7.731 9.113 12.523 124 HE1 HIS 22 1HE HIS 22 -6.438 12.761 14.260 125 HE2 HIS 22 2HE HIS 22 -6.351 10.248 14.394 126 H LEU 23 H LEU 23 -6.634 9.919 7.722 127 HA LEU 23 HA LEU 23 -7.153 12.294 6.255 128 HB3 LEU 23 2HB LEU 23 -5.885 10.728 4.460 129 HG LEU 23 HG LEU 23 -3.689 11.309 5.867 130 HD11 LEU 23 1HD1 LEU 23 -3.745 13.535 4.771 131 HD12 LEU 23 2HD1 LEU 23 -5.431 13.241 4.347 132 HD13 LEU 23 3HD1 LEU 23 -4.165 12.204 3.692 133 HD21 LEU 23 3HD2 LEU 23 -3.915 12.890 7.482 134 HD22 LEU 23 1HD2 LEU 23 -5.456 12.065 7.708 135 HD23 LEU 23 2HD2 LEU 23 -5.387 13.562 6.778 136 H VAL 24 H VAL 24 -8.893 12.681 5.071 137 HA VAL 24 HA VAL 24 -10.704 10.649 4.245 138 HB VAL 24 HB VAL 24 -10.534 13.560 3.459 139 HG11 VAL 24 1HG1 VAL 24 -12.757 13.343 2.560 140 HG12 VAL 24 2HG1 VAL 24 -11.701 12.171 1.769 141 HG13 VAL 24 3HG1 VAL 24 -12.821 11.644 3.027 142 HG21 VAL 24 3HG2 VAL 24 -12.815 12.979 5.012 143 HG22 VAL 24 1HG2 VAL 24 -11.440 12.220 5.815 144 HG23 VAL 24 2HG2 VAL 24 -11.413 13.948 5.463 145 H LEU 25 H LEU 25 -10.481 9.331 2.573 146 HA LEU 25 HA LEU 25 -9.113 10.323 0.163 147 HB3 LEU 25 2HB LEU 25 -7.563 8.758 0.348 148 HG LEU 25 HG LEU 25 -8.972 8.114 2.880 149 HD11 LEU 25 1HD1 LEU 25 -6.672 6.385 2.238 150 HD12 LEU 25 2HD1 LEU 25 -8.194 5.985 1.444 151 HD13 LEU 25 3HD1 LEU 25 -8.109 6.056 3.204 152 HD21 LEU 25 3HD2 LEU 25 -6.142 8.791 2.095 153 HD22 LEU 25 1HD2 LEU 25 -6.656 8.426 3.743 154 HD23 LEU 25 2HD2 LEU 25 -7.310 9.836 2.908 155 H CYS 26 H CYS 26 -9.636 8.969 -1.793 156 HA CYS 26 HA CYS 26 -12.515 8.430 -1.802 157 HB3 CYS 26 2HB CYS 26 -12.561 9.128 -3.969 158 H SER 27 H SER 27 -9.415 6.939 -2.501 159 HA SER 27 HA SER 27 -10.786 4.343 -2.708 160 HB3 SER 27 2HB SER 27 -8.613 5.458 -4.470 161 HG SER 27 HG SER 27 -8.748 3.123 -5.271 162 HA PRO 28 HA PRO 28 -7.651 4.220 0.679 163 HB3 PRO 28 2HB PRO 28 -9.296 4.524 2.254 164 HG3 PRO 28 2HG PRO 28 -11.510 3.981 1.796 165 HD3 PRO 28 2HD PRO 28 -11.021 5.250 -0.065 166 H LYS 29 H LYS 29 -7.507 1.940 2.162 167 HA LYS 29 HA LYS 29 -7.398 -0.283 0.250 168 HB3 LYS 29 2HB LYS 29 -5.166 -0.526 0.341 169 HG3 LYS 29 2HG LYS 29 -3.827 1.459 1.088 170 HD3 LYS 29 2HD LYS 29 -5.696 2.879 -0.519 171 HE3 LYS 29 2HE LYS 29 -3.146 1.388 -1.108 172 HZ1 LYS 29 3HZ LYS 29 -3.067 2.500 -3.185 173 HZ2 LYS 29 1HZ LYS 29 -4.469 3.387 -2.853 174 HZ3 LYS 29 2HZ LYS 29 -4.565 1.718 -3.112 175 H GLN 30 H GLN 30 -9.167 -1.211 1.320 176 HA GLN 30 HA GLN 30 -9.581 -1.549 4.007 177 HB3 GLN 30 2HB GLN 30 -10.298 -4.001 2.754 178 HG3 GLN 30 2HG GLN 30 -11.879 -1.524 3.382 179 HE21 GLN 30 1HE2 GLN 30 -13.002 -4.716 3.928 180 HE22 GLN 30 2HE2 GLN 30 -14.241 -4.725 2.723 181 H THR 31 H THR 31 -9.545 -3.884 5.053 182 HA THR 31 HA THR 31 -6.898 -5.092 4.650 183 HB THR 31 HB THR 31 -6.294 -5.015 6.900 184 HG1 THR 31 1HG THR 31 -9.024 -4.907 7.302 185 HG21 THR 31 3HG2 THR 31 -6.722 -2.678 5.625 186 HG22 THR 31 1HG2 THR 31 -6.007 -2.792 7.233 187 HG23 THR 31 2HG2 THR 31 -7.726 -2.436 7.055 188 H GLU 32 H GLU 32 -9.963 -5.684 4.348 189 HA GLU 32 HA GLU 32 -11.049 -7.705 4.125 190 HB3 GLU 32 2HB GLU 32 -9.341 -9.241 5.965 191 HG3 GLU 32 2HG GLU 32 -9.501 -9.966 3.128 192 H CYS 33 H CYS 33 -10.584 -5.842 6.732 193 HA CYS 33 HA CYS 33 -12.388 -7.421 8.445 194 HB3 CYS 33 2HB CYS 33 -10.103 -6.781 9.357 195 H GLY 34 H GLY 34 -11.921 -4.427 6.754 196 HA2 GLY 34 1HA GLY 34 -14.179 -3.461 6.116 197 HA3 GLY 34 2HA GLY 34 -14.470 -3.416 7.849 198 H HIS 35 H HIS 35 -12.027 -2.509 8.776 199 HA HIS 35 HA HIS 35 -12.275 0.261 8.459 200 HB3 HIS 35 2HB HIS 35 -10.106 0.392 9.661 201 HD2 HIS 35 2HD HIS 35 -12.191 1.156 11.469 202 HE1 HIS 35 1HE HIS 35 -12.494 -2.700 13.212 203 HE2 HIS 35 2HE HIS 35 -13.196 -0.287 13.366 204 H ARG 36 H ARG 36 -10.533 1.742 7.699 205 HA ARG 36 HA ARG 36 -9.099 0.689 5.360 206 HB3 ARG 36 2HB ARG 36 -9.684 2.980 4.289 207 HG3 ARG 36 2HG ARG 36 -11.398 0.579 4.475 208 HD3 ARG 36 2HD ARG 36 -12.528 2.473 2.626 209 HE ARG 36 HE ARG 36 -14.042 0.835 3.208 210 HH11 ARG 36 1HH1 ARG 36 -12.935 2.503 6.056 211 HH12 ARG 36 2HH1 ARG 36 -14.132 1.800 7.092 212 HH21 ARG 36 1HH2 ARG 36 -15.622 -0.098 4.562 213 HH22 ARG 36 2HH2 ARG 36 -15.659 0.319 6.242 214 H PHE 37 H PHE 37 -7.385 2.183 4.588 215 HA PHE 37 HA PHE 37 -6.410 4.089 6.563 216 HB3 PHE 37 2HB PHE 37 -4.093 2.976 6.359 217 HD1 PHE 37 2HD PHE 37 -6.482 0.350 7.279 218 HD2 PHE 37 1HD PHE 37 -4.158 3.639 8.656 219 HE1 PHE 37 2HE PHE 37 -6.900 -0.333 9.606 220 HE2 PHE 37 1HE PHE 37 -4.571 2.959 10.985 221 HZ PHE 37 HZ PHE 37 -5.944 0.972 11.463 222 H CYS 38 H CYS 38 -4.348 5.164 5.734 223 HA CYS 38 HA CYS 38 -4.782 5.832 2.927 224 HB3 CYS 38 2HB CYS 38 -4.625 7.617 4.687 225 H GLU 39 H GLU 39 -2.996 6.029 1.447 226 HA GLU 39 HA GLU 39 -1.491 3.845 1.018 227 HB3 GLU 39 2HB GLU 39 0.264 5.606 0.051 228 HG3 GLU 39 2HG GLU 39 -2.438 5.669 -1.213 229 H SER 40 H SER 40 -0.432 6.634 2.948 230 HA SER 40 HA SER 40 2.117 5.660 3.593 231 HB3 SER 40 2HB SER 40 1.659 7.204 5.714 232 HG SER 40 HG SER 40 1.621 8.792 3.507 233 H CYS 41 H CYS 41 -0.225 6.127 6.179 234 HA CYS 41 HA CYS 41 0.648 4.412 8.018 235 HB3 CYS 41 2HB CYS 41 -1.701 4.033 8.739 236 H MET 42 H MET 42 -1.156 3.458 5.140 237 HA MET 42 HA MET 42 -1.531 0.756 5.766 238 HB3 MET 42 2HB MET 42 -1.238 2.165 3.113 239 HG3 MET 42 2HG MET 42 -0.695 -0.211 2.817 240 HE1 MET 42 3HE MET 42 -4.288 0.456 3.984 241 HE2 MET 42 1HE MET 42 -4.656 -0.929 5.011 242 HE3 MET 42 2HE MET 42 -3.460 0.259 5.529 243 H ALA 43 H ALA 43 1.012 2.237 3.748 244 HA ALA 43 HA ALA 43 2.511 -0.093 3.354 245 HB1 ALA 43 3HB ALA 43 2.827 2.733 2.855 246 HB2 ALA 43 1HB ALA 43 4.351 1.994 3.349 247 HB3 ALA 43 2HB ALA 43 3.467 1.353 1.962 248 H ALA 44 H ALA 44 2.342 2.091 6.054 249 HA ALA 44 HA ALA 44 4.783 1.327 7.298 250 HB1 ALA 44 3HB ALA 44 3.243 2.212 9.357 251 HB2 ALA 44 1HB ALA 44 4.181 3.248 8.282 252 HB3 ALA 44 2HB ALA 44 2.464 2.984 7.977 253 H LEU 45 H LEU 45 1.396 0.527 8.098 254 HA LEU 45 HA LEU 45 1.912 -1.339 10.083 255 HB3 LEU 45 2HB LEU 45 -0.321 -2.242 9.596 256 HG LEU 45 HG LEU 45 -0.216 0.768 9.459 257 HD11 LEU 45 1HD1 LEU 45 -2.391 -0.861 8.840 258 HD12 LEU 45 2HD1 LEU 45 -2.421 0.858 9.230 259 HD13 LEU 45 3HD1 LEU 45 -2.661 -0.339 10.503 260 HD21 LEU 45 3HD2 LEU 45 -1.192 -0.666 11.839 261 HD22 LEU 45 1HD2 LEU 45 -0.175 0.770 11.711 262 HD23 LEU 45 2HD2 LEU 45 0.531 -0.832 11.497 263 H LEU 46 H LEU 46 1.561 -1.843 6.587 264 HA LEU 46 HA LEU 46 1.709 -4.596 6.482 265 HB3 LEU 46 2HB LEU 46 2.744 -4.269 4.228 266 HG LEU 46 HG LEU 46 0.371 -2.492 4.788 267 HD11 LEU 46 1HD1 LEU 46 1.834 -3.150 2.291 268 HD12 LEU 46 2HD1 LEU 46 0.987 -1.674 2.755 269 HD13 LEU 46 3HD1 LEU 46 0.072 -3.086 2.229 270 HD21 LEU 46 3HD2 LEU 46 -0.027 -4.825 5.324 271 HD22 LEU 46 1HD2 LEU 46 0.588 -5.314 3.745 272 HD23 LEU 46 2HD2 LEU 46 -0.902 -4.379 3.858 273 H SER 47 H SER 47 4.296 -2.256 6.900 274 HA SER 47 HA SER 47 6.335 -4.325 6.787 275 HB3 SER 47 2HB SER 47 7.027 -1.573 7.669 276 HG SER 47 HG SER 47 8.291 -2.533 5.494 277 H SER 48 H SER 48 4.340 -4.476 8.875 278 HA SER 48 HA SER 48 5.953 -3.926 11.272 279 HB3 SER 48 2HB SER 48 2.985 -4.467 11.011 280 HG SER 48 HG SER 48 2.894 -4.170 13.184 281 H SER 49 H SER 49 6.321 -6.192 9.430 282 HA SER 49 HA SER 49 6.460 -8.483 9.408 283 HB3 SER 49 2HB SER 49 7.440 -9.379 11.564 284 HG SER 49 HG SER 49 8.462 -7.136 10.213 285 H SER 50 H SER 50 3.805 -7.327 10.168 286 HA SER 50 HA SER 50 2.251 -9.512 10.401 287 HB3 SER 50 2HB SER 50 1.804 -9.163 13.074 288 HG SER 50 HG SER 50 2.132 -11.213 12.828 289 HA PRO 51 HA PRO 51 0.270 -5.271 10.450 290 HB3 PRO 51 2HB PRO 51 0.849 -4.822 8.272 291 HG3 PRO 51 2HG PRO 51 1.353 -6.538 6.787 292 HD3 PRO 51 2HD PRO 51 2.701 -7.138 8.559 293 H LYS 52 H LYS 52 -1.599 -5.283 11.514 294 HA LYS 52 HA LYS 52 -3.589 -7.355 10.860 295 HB3 LYS 52 2HB LYS 52 -4.263 -7.416 13.083 296 HG3 LYS 52 2HG LYS 52 -1.324 -6.873 13.009 297 HD3 LYS 52 2HD LYS 52 -2.789 -7.785 15.473 298 HE3 LYS 52 2HE LYS 52 -0.417 -6.611 16.194 299 HZ1 LYS 52 3HZ LYS 52 -0.155 -9.414 15.595 300 HZ2 LYS 52 1HZ LYS 52 -1.565 -9.041 16.453 301 HZ3 LYS 52 2HZ LYS 52 -0.055 -8.611 17.081 302 H CYS 53 H CYS 53 -3.711 -4.176 12.466 303 HA CYS 53 HA CYS 53 -4.875 -2.581 10.657 304 HB3 CYS 53 2HB CYS 53 -6.864 -4.596 11.629 305 H THR 54 H THR 54 -4.076 -0.990 11.953 306 HA THR 54 HA THR 54 -4.016 -0.566 14.571 307 HB THR 54 HB THR 54 -4.145 1.180 12.308 308 HG1 THR 54 1HG THR 54 -2.453 0.848 13.971 309 HG21 THR 54 3HG2 THR 54 -5.082 3.178 13.379 310 HG22 THR 54 1HG2 THR 54 -5.571 2.207 14.766 311 HG23 THR 54 2HG2 THR 54 -6.303 1.921 13.186 312 H ALA 55 H ALA 55 -6.946 -0.149 12.622 313 HA ALA 55 HA ALA 55 -8.668 0.884 14.511 314 HB1 ALA 55 3HB ALA 55 -10.157 0.632 12.881 315 HB2 ALA 55 1HB ALA 55 -8.900 -0.180 11.945 316 HB3 ALA 55 2HB ALA 55 -10.011 -1.125 12.938 317 H CYS 56 H CYS 56 -8.954 -2.535 13.612 318 HA CYS 56 HA CYS 56 -9.391 -3.154 16.459 319 HB3 CYS 56 2HB CYS 56 -11.387 -3.520 15.110 320 H GLN 57 H GLN 57 -7.621 -3.959 13.583 321 HA GLN 57 HA GLN 57 -5.603 -5.062 13.425 322 HB3 GLN 57 2HB GLN 57 -4.490 -5.906 15.289 323 HG3 GLN 57 2HG GLN 57 -5.926 -4.436 17.235 324 HE21 GLN 57 1HE2 GLN 57 -3.731 -3.587 14.575 325 HE22 GLN 57 2HE2 GLN 57 -2.384 -3.200 15.585 326 H GLU 58 H GLU 58 -6.259 -6.416 11.825 327 HA GLU 58 HA GLU 58 -7.179 -9.075 12.673 328 HB3 GLU 58 2HB GLU 58 -8.256 -8.694 10.128 329 HG3 GLU 58 2HG GLU 58 -10.418 -8.259 11.627 330 H SER 59 H SER 59 -6.235 -7.417 9.658 331 HA SER 59 HA SER 59 -3.758 -8.604 9.314 332 HB3 SER 59 2HB SER 59 -5.058 -10.155 7.338 333 HG SER 59 HG SER 59 -3.391 -11.196 8.091 334 H ILE 60 H ILE 60 -2.925 -7.057 8.088 335 HA ILE 60 HA ILE 60 -4.519 -6.000 5.852 336 HB ILE 60 HB ILE 60 -2.041 -4.597 6.649 337 HG13 ILE 60 2HG1 ILE 60 -3.114 -5.313 8.818 338 HG21 ILE 60 1HG2 ILE 60 -3.821 -2.683 6.460 339 HG22 ILE 60 2HG2 ILE 60 -3.181 -3.461 5.013 340 HG23 ILE 60 3HG2 ILE 60 -4.762 -3.927 5.639 341 HD11 ILE 60 3HD1 ILE 60 -2.079 -2.841 8.172 342 HD12 ILE 60 1HD1 ILE 60 -3.600 -2.467 8.984 343 HD13 ILE 60 2HD1 ILE 60 -2.388 -3.461 9.794 344 H VAL 61 H VAL 61 -4.028 -6.937 3.982 345 HA VAL 61 HA VAL 61 -1.186 -7.305 3.312 346 HB VAL 61 HB VAL 61 -3.401 -9.235 2.607 347 HG11 VAL 61 1HG1 VAL 61 -2.058 -9.813 0.926 348 HG12 VAL 61 2HG1 VAL 61 -0.751 -8.789 1.523 349 HG13 VAL 61 3HG1 VAL 61 -0.943 -10.429 2.144 350 HG21 VAL 61 3HG2 VAL 61 -1.659 -10.706 4.011 351 HG22 VAL 61 1HG2 VAL 61 -1.419 -9.145 4.798 352 HG23 VAL 61 2HG2 VAL 61 -3.026 -9.872 4.750 353 H LYS 62 H LYS 62 -0.672 -6.115 1.609 354 HA LYS 62 HA LYS 62 -2.247 -4.537 0.084 355 HB3 LYS 62 2HB LYS 62 0.109 -4.343 -0.143 356 HG3 LYS 62 2HG LYS 62 0.531 -6.776 -1.743 357 HD3 LYS 62 2HD LYS 62 2.457 -6.509 0.252 358 HE3 LYS 62 2HE LYS 62 2.422 -6.743 -2.429 359 HZ1 LYS 62 3HZ LYS 62 2.049 -4.413 -2.839 360 HZ2 LYS 62 1HZ LYS 62 3.615 -4.822 -3.330 361 HZ3 LYS 62 2HZ LYS 62 3.375 -3.985 -1.880 362 H ASP 63 H ASP 63 -1.580 -7.957 -0.497 363 HA ASP 63 HA ASP 63 -2.960 -8.104 -2.975 364 HB3 ASP 63 2HB ASP 63 -2.915 -10.595 -1.460 365 H LYS 64 H LYS 64 -3.881 -8.832 0.369 366 HA LYS 64 HA LYS 64 -6.571 -9.559 -0.398 367 HB3 LYS 64 2HB LYS 64 -6.939 -10.033 1.904 368 HG3 LYS 64 2HG LYS 64 -4.678 -11.127 2.624 369 HD3 LYS 64 2HD LYS 64 -6.108 -12.013 0.116 370 HE3 LYS 64 2HE LYS 64 -3.878 -13.111 1.183 371 HZ1 LYS 64 3HZ LYS 64 -6.015 -14.819 2.280 372 HZ2 LYS 64 1HZ LYS 64 -5.331 -13.598 3.230 373 HZ3 LYS 64 2HZ LYS 64 -4.357 -14.838 2.617 374 H VAL 65 H VAL 65 -4.965 -6.680 0.012 375 HA VAL 65 HA VAL 65 -7.264 -5.233 1.089 376 HB VAL 65 HB VAL 65 -4.457 -4.348 0.431 377 HG11 VAL 65 1HG1 VAL 65 -5.303 -2.207 1.641 378 HG12 VAL 65 2HG1 VAL 65 -5.634 -2.425 -0.078 379 HG13 VAL 65 3HG1 VAL 65 -6.893 -2.756 1.112 380 HG21 VAL 65 3HG2 VAL 65 -4.963 -3.730 3.044 381 HG22 VAL 65 1HG2 VAL 65 -5.864 -5.233 2.839 382 HG23 VAL 65 2HG2 VAL 65 -4.137 -5.186 2.488 383 H PHE 66 H PHE 66 -8.502 -3.840 -0.070 384 HA PHE 66 HA PHE 66 -7.973 -3.709 -2.965 385 HB3 PHE 66 2HB PHE 66 -10.524 -3.180 -3.012 386 HD1 PHE 66 1HD PHE 66 -10.088 -4.552 -4.960 387 HD2 PHE 66 2HD PHE 66 -10.144 -6.231 -1.050 388 HE1 PHE 66 1HE PHE 66 -10.235 -6.806 -5.934 389 HE2 PHE 66 2HE PHE 66 -10.289 -8.488 -2.017 390 HZ PHE 66 HZ PHE 66 -10.334 -8.779 -4.463 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -29.396 -4.026 22.384 2 HA2 GLY 1 1HA GLY 1 -29.203 -3.837 20.099 3 HA3 GLY 1 2HA GLY 1 -30.542 -4.966 19.953 4 H SER 2 H SER 2 -30.192 -2.788 18.237 5 HA SER 2 HA SER 2 -32.246 -0.873 19.102 6 HB3 SER 2 2HB SER 2 -29.981 -0.054 18.285 7 HG SER 2 HG SER 2 -29.958 -1.578 16.469 8 H SER 3 H SER 3 -33.697 -0.074 17.304 9 HA SER 3 HA SER 3 -34.624 -2.386 15.732 10 HB3 SER 3 2HB SER 3 -36.060 -1.127 17.602 11 HG SER 3 HG SER 3 -36.965 0.199 15.292 12 H GLY 4 H GLY 4 -33.609 0.924 15.609 13 HA2 GLY 4 1HA GLY 4 -32.808 2.024 13.702 14 HA3 GLY 4 2HA GLY 4 -33.557 0.789 12.703 15 H SER 5 H SER 5 -33.678 3.579 12.212 16 HA SER 5 HA SER 5 -36.574 4.017 12.521 17 HB3 SER 5 2HB SER 5 -36.205 6.397 12.778 18 HG SER 5 HG SER 5 -35.134 4.582 14.495 19 H SER 6 H SER 6 -35.893 2.695 10.361 20 HA SER 6 HA SER 6 -35.120 4.359 8.159 21 HB3 SER 6 2HB SER 6 -36.043 1.525 8.468 22 HG SER 6 HG SER 6 -37.074 1.905 6.612 23 H GLY 7 H GLY 7 -36.395 5.142 6.483 24 HA2 GLY 7 1HA GLY 7 -39.156 4.681 6.192 25 HA3 GLY 7 2HA GLY 7 -38.929 6.126 7.166 26 H PHE 8 H PHE 8 -36.426 6.810 5.745 27 HA PHE 8 HA PHE 8 -37.304 7.331 3.023 28 HB3 PHE 8 2HB PHE 8 -37.063 9.739 3.185 29 HD1 PHE 8 2HD PHE 8 -38.292 8.829 6.549 30 HD2 PHE 8 1HD PHE 8 -39.321 9.827 2.541 31 HE1 PHE 8 2HE PHE 8 -40.651 9.046 7.212 32 HE2 PHE 8 1HE PHE 8 -41.682 10.046 3.198 33 HZ PHE 8 HZ PHE 8 -42.350 9.655 5.535 34 H VAL 9 H VAL 9 -35.490 5.940 2.616 35 HA VAL 9 HA VAL 9 -32.884 6.297 3.453 36 HB VAL 9 HB VAL 9 -33.816 4.415 2.017 37 HG11 VAL 9 1HG1 VAL 9 -34.702 5.958 0.256 38 HG12 VAL 9 2HG1 VAL 9 -33.034 6.234 -0.253 39 HG13 VAL 9 3HG1 VAL 9 -33.734 4.618 -0.357 40 HG21 VAL 9 3HG2 VAL 9 -31.189 5.530 1.058 41 HG22 VAL 9 1HG2 VAL 9 -31.401 4.782 2.640 42 HG23 VAL 9 2HG2 VAL 9 -31.672 3.838 1.175 43 H LYS 10 H LYS 10 -31.161 7.525 2.822 44 HA LYS 10 HA LYS 10 -31.497 9.416 0.619 45 HB3 LYS 10 2HB LYS 10 -30.556 10.337 3.336 46 HG3 LYS 10 2HG LYS 10 -31.738 12.381 1.759 47 HD3 LYS 10 2HD LYS 10 -28.985 11.803 2.818 48 HE3 LYS 10 2HE LYS 10 -29.707 13.676 0.756 49 HZ1 LYS 10 3HZ LYS 10 -30.041 15.408 2.187 50 HZ2 LYS 10 1HZ LYS 10 -28.362 15.505 2.006 51 HZ3 LYS 10 2HZ LYS 10 -29.024 14.784 3.385 52 H THR 11 H THR 11 -29.791 9.157 -0.646 53 HA THR 11 HA THR 11 -27.564 7.690 -0.291 54 HB THR 11 HB THR 11 -27.452 8.441 -2.408 55 HG1 THR 11 1HG THR 11 -25.941 10.165 -2.651 56 HG21 THR 11 3HG2 THR 11 -28.668 10.989 -1.365 57 HG22 THR 11 1HG2 THR 11 -29.405 9.769 -2.402 58 HG23 THR 11 2HG2 THR 11 -28.134 10.814 -3.037 59 H VAL 12 H VAL 12 -25.298 8.233 0.111 60 HA VAL 12 HA VAL 12 -24.994 10.354 2.136 61 HB VAL 12 HB VAL 12 -23.606 7.671 2.129 62 HG11 VAL 12 1HG1 VAL 12 -22.078 8.946 3.224 63 HG12 VAL 12 2HG1 VAL 12 -23.267 10.158 3.704 64 HG13 VAL 12 3HG1 VAL 12 -23.165 8.628 4.577 65 HG21 VAL 12 3HG2 VAL 12 -25.683 8.690 4.060 66 HG22 VAL 12 1HG2 VAL 12 -26.039 7.615 2.708 67 HG23 VAL 12 2HG2 VAL 12 -24.968 7.079 4.002 68 H GLU 13 H GLU 13 -24.432 11.457 -0.022 69 HA GLU 13 HA GLU 13 -22.152 10.904 -1.487 70 HB3 GLU 13 2HB GLU 13 -22.150 13.249 -2.132 71 HG3 GLU 13 2HG GLU 13 -24.851 12.007 -1.805 72 H ASP 14 H ASP 14 -20.319 10.316 -0.455 73 HA ASP 14 HA ASP 14 -18.652 12.302 0.651 74 HB3 ASP 14 2HB ASP 14 -18.678 10.654 2.899 75 H LYS 15 H LYS 15 -16.541 11.485 1.235 76 HA LYS 15 HA LYS 15 -15.943 8.999 -0.180 77 HB3 LYS 15 2HB LYS 15 -13.899 9.870 -0.651 78 HG3 LYS 15 2HG LYS 15 -15.687 11.758 -0.986 79 HD3 LYS 15 2HD LYS 15 -14.613 12.435 1.552 80 HE3 LYS 15 2HE LYS 15 -12.831 13.526 0.086 81 HZ1 LYS 15 3HZ LYS 15 -14.910 14.451 -1.339 82 HZ2 LYS 15 1HZ LYS 15 -13.368 15.146 -1.339 83 HZ3 LYS 15 2HZ LYS 15 -14.581 15.781 -0.346 84 H TYR 16 H TYR 16 -13.622 8.189 0.976 85 HA TYR 16 HA TYR 16 -14.574 7.175 3.552 86 HB3 TYR 16 2HB TYR 16 -12.825 5.456 3.287 87 HD1 TYR 16 1HD TYR 16 -15.749 6.587 1.892 88 HD2 TYR 16 2HD TYR 16 -12.757 3.634 1.237 89 HE1 TYR 16 1HE TYR 16 -17.367 5.238 0.622 90 HE2 TYR 16 2HE TYR 16 -14.366 2.277 -0.037 91 HH TYR 16 HH TYR 16 -16.418 2.495 -1.231 92 H LYS 17 H LYS 17 -12.403 6.512 4.912 93 HA LYS 17 HA LYS 17 -10.491 8.683 4.997 94 HB3 LYS 17 2HB LYS 17 -12.671 8.362 7.016 95 HG3 LYS 17 2HG LYS 17 -10.879 10.062 8.235 96 HD3 LYS 17 2HD LYS 17 -10.543 7.826 9.681 97 HE3 LYS 17 2HE LYS 17 -12.480 9.957 9.566 98 HZ1 LYS 17 3HZ LYS 17 -14.190 8.892 10.896 99 HZ2 LYS 17 1HZ LYS 17 -13.434 7.388 10.714 100 HZ3 LYS 17 2HZ LYS 17 -14.095 8.171 9.368 101 H CYS 18 H CYS 18 -8.593 8.108 5.968 102 HA CYS 18 HA CYS 18 -8.018 5.380 6.294 103 HB3 CYS 18 2HB CYS 18 -6.522 7.874 7.094 104 H GLU 19 H GLU 19 -7.815 4.071 8.060 105 HA GLU 19 HA GLU 19 -9.225 4.912 10.443 106 HB3 GLU 19 2HB GLU 19 -8.562 2.452 11.101 107 HG3 GLU 19 2HG GLU 19 -10.510 1.598 10.167 108 H LYS 20 H LYS 20 -6.599 6.085 9.815 109 HA LYS 20 HA LYS 20 -5.288 5.447 12.362 110 HB3 LYS 20 2HB LYS 20 -3.320 6.189 10.400 111 HG3 LYS 20 2HG LYS 20 -3.781 3.769 12.110 112 HD3 LYS 20 2HD LYS 20 -1.420 4.275 10.299 113 HE3 LYS 20 2HE LYS 20 -0.644 2.117 11.024 114 HZ1 LYS 20 3HZ LYS 20 -0.144 2.570 13.300 115 HZ2 LYS 20 1HZ LYS 20 -1.448 3.638 13.443 116 HZ3 LYS 20 2HZ LYS 20 -0.128 4.041 12.465 117 H CYS 21 H CYS 21 -4.743 7.647 9.606 118 HA CYS 21 HA CYS 21 -4.395 9.851 11.493 119 HB3 CYS 21 2HB CYS 21 -2.651 9.719 9.873 120 H HIS 22 H HIS 22 -6.920 8.469 9.984 121 HA HIS 22 HA HIS 22 -9.036 9.122 9.467 122 HB3 HIS 22 2HB HIS 22 -9.905 10.485 11.022 123 HD2 HIS 22 2HD HIS 22 -7.793 8.618 12.465 124 HE1 HIS 22 1HE HIS 22 -6.406 12.110 14.434 125 HE2 HIS 22 2HE HIS 22 -6.370 9.592 14.392 126 H LEU 23 H LEU 23 -6.787 9.725 7.657 127 HA LEU 23 HA LEU 23 -7.301 12.236 6.400 128 HB3 LEU 23 2HB LEU 23 -6.061 10.718 4.492 129 HG LEU 23 HG LEU 23 -4.880 12.332 6.721 130 HD11 LEU 23 1HD1 LEU 23 -2.866 11.439 6.489 131 HD12 LEU 23 2HD1 LEU 23 -2.913 11.739 4.752 132 HD13 LEU 23 3HD1 LEU 23 -3.537 10.223 5.401 133 HD21 LEU 23 3HD2 LEU 23 -4.414 13.897 5.037 134 HD22 LEU 23 1HD2 LEU 23 -6.035 13.309 4.670 135 HD23 LEU 23 2HD2 LEU 23 -4.653 12.714 3.750 136 H VAL 24 H VAL 24 -9.008 12.715 5.204 137 HA VAL 24 HA VAL 24 -10.874 10.775 4.306 138 HB VAL 24 HB VAL 24 -10.573 13.724 3.836 139 HG11 VAL 24 1HG1 VAL 24 -12.939 13.392 2.747 140 HG12 VAL 24 2HG1 VAL 24 -11.471 13.242 1.779 141 HG13 VAL 24 3HG1 VAL 24 -12.298 11.795 2.358 142 HG21 VAL 24 3HG2 VAL 24 -12.267 13.963 5.340 143 HG22 VAL 24 1HG2 VAL 24 -13.024 12.433 4.897 144 HG23 VAL 24 2HG2 VAL 24 -11.593 12.443 5.928 145 H LEU 25 H LEU 25 -10.523 9.416 2.683 146 HA LEU 25 HA LEU 25 -9.076 10.404 0.313 147 HB3 LEU 25 2HB LEU 25 -7.819 8.570 0.294 148 HG LEU 25 HG LEU 25 -9.010 8.258 3.015 149 HD11 LEU 25 1HD1 LEU 25 -6.845 6.425 2.611 150 HD12 LEU 25 2HD1 LEU 25 -8.161 6.060 1.497 151 HD13 LEU 25 3HD1 LEU 25 -8.467 6.121 3.232 152 HD21 LEU 25 3HD2 LEU 25 -6.353 8.964 1.832 153 HD22 LEU 25 1HD2 LEU 25 -6.475 8.396 3.497 154 HD23 LEU 25 2HD2 LEU 25 -7.330 9.857 2.999 155 H CYS 26 H CYS 26 -9.618 8.587 -1.545 156 HA CYS 26 HA CYS 26 -12.561 8.527 -1.722 157 HB3 CYS 26 2HB CYS 26 -12.083 10.106 -3.329 158 H SER 27 H SER 27 -9.741 6.726 -1.666 159 HA SER 27 HA SER 27 -11.108 4.280 -2.139 160 HB3 SER 27 2HB SER 27 -10.833 4.954 -4.485 161 HG SER 27 HG SER 27 -9.083 6.114 -4.779 162 HA PRO 28 HA PRO 28 -7.390 4.047 0.571 163 HB3 PRO 28 2HB PRO 28 -8.712 4.303 2.433 164 HG3 PRO 28 2HG PRO 28 -10.974 3.763 2.381 165 HD3 PRO 28 2HD PRO 28 -10.838 5.086 0.498 166 H LYS 29 H LYS 29 -6.980 1.727 1.939 167 HA LYS 29 HA LYS 29 -6.918 -0.302 -0.199 168 HB3 LYS 29 2HB LYS 29 -4.841 -1.124 0.755 169 HG3 LYS 29 2HG LYS 29 -3.340 0.769 0.442 170 HD3 LYS 29 2HD LYS 29 -5.670 0.680 -1.472 171 HE3 LYS 29 2HE LYS 29 -2.924 1.556 -2.241 172 HZ1 LYS 29 3HZ LYS 29 -5.655 1.846 -3.297 173 HZ2 LYS 29 1HZ LYS 29 -4.251 1.327 -4.086 174 HZ3 LYS 29 2HZ LYS 29 -4.466 2.968 -3.735 175 H GLN 30 H GLN 30 -9.182 -0.417 1.099 176 HA GLN 30 HA GLN 30 -9.649 -1.475 3.493 177 HB3 GLN 30 2HB GLN 30 -10.904 -3.148 1.436 178 HG3 GLN 30 2HG GLN 30 -11.949 -1.186 3.459 179 HE21 GLN 30 1HE2 GLN 30 -14.239 -2.799 3.889 180 HE22 GLN 30 2HE2 GLN 30 -15.307 -2.561 2.552 181 H THR 31 H THR 31 -8.911 -3.081 4.706 182 HA THR 31 HA THR 31 -7.138 -5.058 3.574 183 HB THR 31 HB THR 31 -6.565 -5.660 5.775 184 HG1 THR 31 1HG THR 31 -8.867 -4.290 6.744 185 HG21 THR 31 3HG2 THR 31 -5.668 -3.708 6.461 186 HG22 THR 31 1HG2 THR 31 -7.232 -2.898 6.534 187 HG23 THR 31 2HG2 THR 31 -6.394 -3.062 4.990 188 H GLU 32 H GLU 32 -7.809 -7.101 5.560 189 HA GLU 32 HA GLU 32 -10.049 -8.316 4.113 190 HB3 GLU 32 2HB GLU 32 -8.547 -9.960 6.043 191 HG3 GLU 32 2HG GLU 32 -8.289 -11.104 3.572 192 H CYS 33 H CYS 33 -9.971 -6.376 6.550 193 HA CYS 33 HA CYS 33 -11.729 -7.977 8.292 194 HB3 CYS 33 2HB CYS 33 -9.597 -7.017 9.288 195 H GLY 34 H GLY 34 -11.396 -5.040 6.435 196 HA2 GLY 34 1HA GLY 34 -13.649 -4.361 5.495 197 HA3 GLY 34 2HA GLY 34 -14.154 -4.291 7.177 198 H HIS 35 H HIS 35 -11.941 -3.080 8.331 199 HA HIS 35 HA HIS 35 -12.465 -0.393 8.035 200 HB3 HIS 35 2HB HIS 35 -10.176 -0.048 9.082 201 HD2 HIS 35 2HD HIS 35 -12.215 0.786 10.913 202 HE1 HIS 35 1HE HIS 35 -12.380 -2.962 12.892 203 HE2 HIS 35 2HE HIS 35 -13.126 -0.557 12.926 204 H ARG 36 H ARG 36 -10.404 1.156 7.530 205 HA ARG 36 HA ARG 36 -9.207 0.419 4.975 206 HB3 ARG 36 2HB ARG 36 -9.937 2.585 3.963 207 HG3 ARG 36 2HG ARG 36 -11.859 0.432 4.636 208 HD3 ARG 36 2HD ARG 36 -12.697 2.868 3.083 209 HE ARG 36 HE ARG 36 -13.874 0.362 3.308 210 HH11 ARG 36 1HH1 ARG 36 -14.749 3.697 3.794 211 HH12 ARG 36 2HH1 ARG 36 -16.422 3.448 3.419 212 HH21 ARG 36 1HH2 ARG 36 -16.073 0.022 2.811 213 HH22 ARG 36 2HH2 ARG 36 -17.174 1.357 2.861 214 H PHE 37 H PHE 37 -7.480 1.851 4.322 215 HA PHE 37 HA PHE 37 -6.540 3.774 6.293 216 HB3 PHE 37 2HB PHE 37 -4.224 2.652 6.175 217 HD1 PHE 37 2HD PHE 37 -6.727 0.098 7.049 218 HD2 PHE 37 1HD PHE 37 -4.273 3.276 8.462 219 HE1 PHE 37 2HE PHE 37 -7.215 -0.561 9.369 220 HE2 PHE 37 1HE PHE 37 -4.757 2.622 10.784 221 HZ PHE 37 HZ PHE 37 -6.232 0.702 11.240 222 H CYS 38 H CYS 38 -4.584 4.949 5.509 223 HA CYS 38 HA CYS 38 -4.905 5.527 2.679 224 HB3 CYS 38 2HB CYS 38 -4.794 7.338 4.412 225 H GLU 39 H GLU 39 -2.840 6.041 1.434 226 HA GLU 39 HA GLU 39 -1.389 3.756 0.966 227 HB3 GLU 39 2HB GLU 39 0.396 5.572 0.131 228 HG3 GLU 39 2HG GLU 39 -2.182 5.630 -1.344 229 H SER 40 H SER 40 -0.111 6.629 2.656 230 HA SER 40 HA SER 40 2.291 5.610 3.497 231 HB3 SER 40 2HB SER 40 1.936 7.172 5.541 232 HG SER 40 HG SER 40 2.556 8.798 4.281 233 H CYS 41 H CYS 41 -0.208 6.031 5.959 234 HA CYS 41 HA CYS 41 0.613 4.368 7.869 235 HB3 CYS 41 2HB CYS 41 -1.792 3.852 8.386 236 H MET 42 H MET 42 -1.307 3.248 5.087 237 HA MET 42 HA MET 42 -1.456 0.564 5.677 238 HB3 MET 42 2HB MET 42 -1.173 1.949 3.012 239 HG3 MET 42 2HG MET 42 -0.651 -0.658 3.205 240 HE1 MET 42 3HE MET 42 -3.380 0.144 5.147 241 HE2 MET 42 1HE MET 42 -4.064 -1.473 5.315 242 HE3 MET 42 2HE MET 42 -2.329 -1.225 5.511 243 H ALA 43 H ALA 43 1.120 2.216 3.858 244 HA ALA 43 HA ALA 43 2.717 -0.078 3.472 245 HB1 ALA 43 3HB ALA 43 4.223 2.405 3.637 246 HB2 ALA 43 1HB ALA 43 4.001 1.301 2.278 247 HB3 ALA 43 2HB ALA 43 2.791 2.540 2.617 248 H ALA 44 H ALA 44 2.294 2.053 6.165 249 HA ALA 44 HA ALA 44 4.753 1.436 7.487 250 HB1 ALA 44 3HB ALA 44 2.199 2.569 8.622 251 HB2 ALA 44 1HB ALA 44 3.778 2.566 9.409 252 HB3 ALA 44 2HB ALA 44 3.527 3.506 7.937 253 H LEU 45 H LEU 45 1.376 0.432 8.032 254 HA LEU 45 HA LEU 45 1.862 -1.352 10.119 255 HB3 LEU 45 2HB LEU 45 -0.282 -2.381 9.513 256 HG LEU 45 HG LEU 45 -0.387 0.623 9.253 257 HD11 LEU 45 1HD1 LEU 45 -2.666 0.556 9.424 258 HD12 LEU 45 2HD1 LEU 45 -2.674 -1.028 10.199 259 HD13 LEU 45 3HD1 LEU 45 -2.384 -0.897 8.464 260 HD21 LEU 45 3HD2 LEU 45 0.359 0.424 11.374 261 HD22 LEU 45 1HD2 LEU 45 -0.161 -1.256 11.516 262 HD23 LEU 45 2HD2 LEU 45 -1.333 0.050 11.704 263 H LEU 46 H LEU 46 1.504 -2.067 6.643 264 HA LEU 46 HA LEU 46 1.977 -4.781 6.706 265 HB3 LEU 46 2HB LEU 46 2.725 -4.574 4.389 266 HG LEU 46 HG LEU 46 0.399 -2.795 5.078 267 HD11 LEU 46 1HD1 LEU 46 1.141 -3.693 2.306 268 HD12 LEU 46 2HD1 LEU 46 1.561 -2.105 2.946 269 HD13 LEU 46 3HD1 LEU 46 -0.131 -2.571 2.788 270 HD21 LEU 46 3HD2 LEU 46 0.723 -5.561 4.972 271 HD22 LEU 46 1HD2 LEU 46 -0.110 -5.138 3.475 272 HD23 LEU 46 2HD2 LEU 46 -0.797 -4.668 5.030 273 H SER 47 H SER 47 4.251 -2.148 6.984 274 HA SER 47 HA SER 47 6.550 -3.905 6.751 275 HB3 SER 47 2HB SER 47 6.484 -0.974 7.505 276 HG SER 47 HG SER 47 8.521 -1.457 7.788 277 H SER 48 H SER 48 4.518 -4.116 8.961 278 HA SER 48 HA SER 48 6.283 -3.654 11.268 279 HB3 SER 48 2HB SER 48 3.296 -4.153 11.216 280 HG SER 48 HG SER 48 3.926 -3.069 13.451 281 H SER 49 H SER 49 5.951 -5.976 9.195 282 HA SER 49 HA SER 49 6.472 -8.201 9.260 283 HB3 SER 49 2HB SER 49 6.347 -8.296 12.248 284 HG SER 49 HG SER 49 8.081 -9.681 11.920 285 H SER 50 H SER 50 4.363 -7.568 12.070 286 HA SER 50 HA SER 50 2.495 -9.575 10.993 287 HB3 SER 50 2HB SER 50 2.201 -8.788 13.822 288 HG SER 50 HG SER 50 1.581 -10.831 13.965 289 HA PRO 51 HA PRO 51 0.429 -5.387 10.827 290 HB3 PRO 51 2HB PRO 51 1.193 -4.960 8.703 291 HG3 PRO 51 2HG PRO 51 1.855 -6.688 7.295 292 HD3 PRO 51 2HD PRO 51 3.047 -7.241 9.189 293 H LYS 52 H LYS 52 -1.529 -5.411 11.716 294 HA LYS 52 HA LYS 52 -3.429 -7.508 10.895 295 HB3 LYS 52 2HB LYS 52 -4.336 -7.536 13.063 296 HG3 LYS 52 2HG LYS 52 -1.370 -7.321 13.104 297 HD3 LYS 52 2HD LYS 52 -2.904 -7.954 15.602 298 HE3 LYS 52 2HE LYS 52 -0.295 -6.716 15.830 299 HZ1 LYS 52 3HZ LYS 52 -0.675 -9.473 16.622 300 HZ2 LYS 52 1HZ LYS 52 -1.778 -8.384 17.300 301 HZ3 LYS 52 2HZ LYS 52 -0.119 -8.153 17.523 302 H CYS 53 H CYS 53 -3.706 -4.356 12.535 303 HA CYS 53 HA CYS 53 -4.745 -2.751 10.655 304 HB3 CYS 53 2HB CYS 53 -6.786 -4.781 11.483 305 H THR 54 H THR 54 -4.073 -1.143 11.991 306 HA THR 54 HA THR 54 -4.176 -0.737 14.615 307 HB THR 54 HB THR 54 -4.171 1.017 12.355 308 HG1 THR 54 1HG THR 54 -2.552 0.749 14.035 309 HG21 THR 54 3HG2 THR 54 -6.358 1.787 13.013 310 HG22 THR 54 1HG2 THR 54 -5.172 3.014 13.455 311 HG23 THR 54 2HG2 THR 54 -5.842 1.949 14.691 312 H ALA 55 H ALA 55 -6.981 -0.507 12.489 313 HA ALA 55 HA ALA 55 -8.840 0.558 14.257 314 HB1 ALA 55 3HB ALA 55 -10.295 0.196 12.602 315 HB2 ALA 55 1HB ALA 55 -8.907 -0.391 11.686 316 HB3 ALA 55 2HB ALA 55 -9.943 -1.530 12.548 317 H CYS 56 H CYS 56 -8.912 -2.882 13.370 318 HA CYS 56 HA CYS 56 -9.571 -3.497 16.175 319 HB3 CYS 56 2HB CYS 56 -11.444 -3.962 14.713 320 H GLN 57 H GLN 57 -7.536 -4.241 13.466 321 HA GLN 57 HA GLN 57 -5.475 -5.270 13.478 322 HB3 GLN 57 2HB GLN 57 -4.484 -6.061 15.435 323 HG3 GLN 57 2HG GLN 57 -6.100 -4.610 17.243 324 HE21 GLN 57 1HE2 GLN 57 -4.870 -2.075 16.734 325 HE22 GLN 57 2HE2 GLN 57 -3.180 -2.260 17.045 326 H GLU 58 H GLU 58 -6.185 -6.588 11.807 327 HA GLU 58 HA GLU 58 -6.931 -9.315 12.625 328 HB3 GLU 58 2HB GLU 58 -7.946 -8.896 10.031 329 HG3 GLU 58 2HG GLU 58 -10.017 -8.626 11.981 330 H SER 59 H SER 59 -6.070 -7.645 9.594 331 HA SER 59 HA SER 59 -3.512 -8.755 9.335 332 HB3 SER 59 2HB SER 59 -4.712 -10.195 7.226 333 HG SER 59 HG SER 59 -4.071 -11.923 9.011 334 H ILE 60 H ILE 60 -2.518 -7.362 8.049 335 HA ILE 60 HA ILE 60 -4.062 -6.113 5.870 336 HB ILE 60 HB ILE 60 -1.618 -4.778 6.907 337 HG13 ILE 60 2HG1 ILE 60 -2.952 -5.509 8.922 338 HG21 ILE 60 1HG2 ILE 60 -3.793 -3.023 6.581 339 HG22 ILE 60 2HG2 ILE 60 -2.394 -3.223 5.528 340 HG23 ILE 60 3HG2 ILE 60 -3.858 -4.164 5.239 341 HD11 ILE 60 3HD1 ILE 60 -3.397 -2.685 9.172 342 HD12 ILE 60 1HD1 ILE 60 -2.222 -3.715 9.988 343 HD13 ILE 60 2HD1 ILE 60 -1.835 -3.007 8.420 344 H VAL 61 H VAL 61 -3.442 -6.725 3.915 345 HA VAL 61 HA VAL 61 -0.596 -7.074 3.348 346 HB VAL 61 HB VAL 61 -2.697 -9.151 2.721 347 HG11 VAL 61 1HG1 VAL 61 -0.178 -8.509 1.405 348 HG12 VAL 61 2HG1 VAL 61 -0.269 -10.185 1.951 349 HG13 VAL 61 3HG1 VAL 61 -1.505 -9.540 0.871 350 HG21 VAL 61 3HG2 VAL 61 -0.488 -8.937 4.679 351 HG22 VAL 61 1HG2 VAL 61 -2.038 -9.769 4.801 352 HG23 VAL 61 2HG2 VAL 61 -0.713 -10.503 3.899 353 H LYS 62 H LYS 62 -0.008 -6.295 1.406 354 HA LYS 62 HA LYS 62 -1.706 -4.664 -0.084 355 HB3 LYS 62 2HB LYS 62 0.646 -4.309 -0.226 356 HG3 LYS 62 2HG LYS 62 1.251 -6.718 -1.817 357 HD3 LYS 62 2HD LYS 62 2.616 -4.735 -0.139 358 HE3 LYS 62 2HE LYS 62 3.720 -7.534 -0.244 359 HZ1 LYS 62 3HZ LYS 62 4.520 -5.155 1.344 360 HZ2 LYS 62 1HZ LYS 62 5.326 -5.725 -0.030 361 HZ3 LYS 62 2HZ LYS 62 5.272 -6.670 1.372 362 H ASP 63 H ASP 63 -0.563 -7.957 -0.793 363 HA ASP 63 HA ASP 63 -1.818 -8.311 -3.244 364 HB3 ASP 63 2HB ASP 63 -1.964 -10.805 -2.018 365 H LYS 64 H LYS 64 -3.080 -8.763 0.023 366 HA LYS 64 HA LYS 64 -5.666 -9.617 -0.990 367 HB3 LYS 64 2HB LYS 64 -6.249 -10.073 1.257 368 HG3 LYS 64 2HG LYS 64 -3.739 -10.802 2.156 369 HD3 LYS 64 2HD LYS 64 -5.672 -12.268 0.361 370 HE3 LYS 64 2HE LYS 64 -3.238 -13.161 1.856 371 HZ1 LYS 64 3HZ LYS 64 -4.419 -15.464 1.220 372 HZ2 LYS 64 1HZ LYS 64 -5.771 -14.558 1.681 373 HZ3 LYS 64 2HZ LYS 64 -4.489 -14.771 2.762 374 H VAL 65 H VAL 65 -4.144 -6.715 -0.577 375 HA VAL 65 HA VAL 65 -6.507 -5.247 0.306 376 HB VAL 65 HB VAL 65 -3.664 -4.739 0.314 377 HG11 VAL 65 1HG1 VAL 65 -3.699 -2.385 -0.297 378 HG12 VAL 65 2HG1 VAL 65 -4.165 -3.387 -1.672 379 HG13 VAL 65 3HG1 VAL 65 -5.395 -2.513 -0.759 380 HG21 VAL 65 3HG2 VAL 65 -6.117 -3.771 1.691 381 HG22 VAL 65 1HG2 VAL 65 -4.649 -4.483 2.361 382 HG23 VAL 65 2HG2 VAL 65 -4.648 -2.804 1.822 383 H PHE 66 H PHE 66 -7.431 -3.548 -0.931 384 HA PHE 66 HA PHE 66 -6.809 -3.568 -3.798 385 HB3 PHE 66 2HB PHE 66 -8.805 -4.387 -4.401 386 HD1 PHE 66 1HD PHE 66 -10.087 -3.844 -0.989 387 HD2 PHE 66 2HD PHE 66 -8.497 -6.646 -3.770 388 HE1 PHE 66 1HE PHE 66 -10.714 -5.687 0.515 389 HE2 PHE 66 2HE PHE 66 -9.121 -8.494 -2.271 390 HZ PHE 66 HZ PHE 66 -10.232 -8.016 -0.126 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -56.358 24.955 4.208 2 HA2 GLY 1 1HA GLY 1 -57.301 22.759 3.521 3 HA3 GLY 1 2HA GLY 1 -55.886 23.185 2.570 4 H SER 2 H SER 2 -55.731 20.855 2.225 5 HA SER 2 HA SER 2 -54.371 19.530 4.478 6 HB3 SER 2 2HB SER 2 -55.533 17.591 4.173 7 HG SER 2 HG SER 2 -57.120 19.350 4.313 8 H SER 3 H SER 3 -52.622 18.163 3.965 9 HA SER 3 HA SER 3 -51.692 18.032 1.220 10 HB3 SER 3 2HB SER 3 -49.629 19.049 3.095 11 HG SER 3 HG SER 3 -48.897 19.984 1.236 12 H GLY 4 H GLY 4 -49.455 16.878 1.203 13 HA2 GLY 4 1HA GLY 4 -49.544 14.737 3.239 14 HA3 GLY 4 2HA GLY 4 -49.179 14.440 1.546 15 H SER 5 H SER 5 -47.448 13.501 3.387 16 HA SER 5 HA SER 5 -45.378 15.278 4.121 17 HB3 SER 5 2HB SER 5 -45.104 12.302 3.654 18 HG SER 5 HG SER 5 -43.657 14.257 5.045 19 H SER 6 H SER 6 -44.727 16.515 2.382 20 HA SER 6 HA SER 6 -43.389 15.058 0.196 21 HB3 SER 6 2HB SER 6 -45.074 17.512 0.218 22 HG SER 6 HG SER 6 -42.864 17.130 -1.522 23 H GLY 7 H GLY 7 -41.456 14.934 1.459 24 HA2 GLY 7 1HA GLY 7 -40.158 17.411 2.243 25 HA3 GLY 7 2HA GLY 7 -39.536 15.784 2.480 26 H PHE 8 H PHE 8 -37.838 15.245 1.292 27 HA PHE 8 HA PHE 8 -37.584 16.228 -1.434 28 HB3 PHE 8 2HB PHE 8 -35.005 16.581 -0.432 29 HD1 PHE 8 1HD PHE 8 -36.183 17.185 -2.936 30 HD2 PHE 8 2HD PHE 8 -36.085 19.573 0.587 31 HE1 PHE 8 1HE PHE 8 -36.408 19.214 -4.309 32 HE2 PHE 8 2HE PHE 8 -36.311 21.605 -0.781 33 HZ PHE 8 HZ PHE 8 -36.473 21.428 -3.231 34 H VAL 9 H VAL 9 -36.161 15.005 -2.722 35 HA VAL 9 HA VAL 9 -34.881 12.680 -1.500 36 HB VAL 9 HB VAL 9 -37.124 11.899 -2.121 37 HG11 VAL 9 1HG1 VAL 9 -36.664 12.064 -5.010 38 HG12 VAL 9 2HG1 VAL 9 -38.136 12.334 -4.077 39 HG13 VAL 9 3HG1 VAL 9 -36.937 13.619 -4.226 40 HG21 VAL 9 3HG2 VAL 9 -34.829 10.615 -2.526 41 HG22 VAL 9 1HG2 VAL 9 -36.390 9.906 -2.936 42 HG23 VAL 9 2HG2 VAL 9 -35.404 10.654 -4.192 43 H LYS 10 H LYS 10 -32.853 13.298 -2.076 44 HA LYS 10 HA LYS 10 -32.317 13.495 -4.964 45 HB3 LYS 10 2HB LYS 10 -30.544 15.116 -4.497 46 HG3 LYS 10 2HG LYS 10 -32.084 16.899 -3.257 47 HD3 LYS 10 2HD LYS 10 -32.276 15.806 -6.045 48 HE3 LYS 10 2HE LYS 10 -34.472 16.782 -5.426 49 HZ1 LYS 10 3HZ LYS 10 -34.421 19.299 -5.245 50 HZ2 LYS 10 1HZ LYS 10 -32.792 19.137 -4.815 51 HZ3 LYS 10 2HZ LYS 10 -33.994 18.425 -3.861 52 H THR 11 H THR 11 -29.612 13.504 -4.977 53 HA THR 11 HA THR 11 -28.961 10.887 -3.796 54 HB THR 11 HB THR 11 -27.147 11.875 -5.876 55 HG1 THR 11 1HG THR 11 -29.431 10.928 -7.057 56 HG21 THR 11 3HG2 THR 11 -27.143 9.581 -4.951 57 HG22 THR 11 1HG2 THR 11 -27.379 9.605 -6.698 58 HG23 THR 11 2HG2 THR 11 -28.752 9.329 -5.625 59 H VAL 12 H VAL 12 -27.096 10.599 -2.633 60 HA VAL 12 HA VAL 12 -25.384 12.953 -2.210 61 HB VAL 12 HB VAL 12 -26.910 12.826 -0.310 62 HG11 VAL 12 1HG1 VAL 12 -27.006 10.192 -0.656 63 HG12 VAL 12 2HG1 VAL 12 -25.786 10.245 0.618 64 HG13 VAL 12 3HG1 VAL 12 -27.379 10.953 0.890 65 HG21 VAL 12 3HG2 VAL 12 -24.554 11.825 1.070 66 HG22 VAL 12 1HG2 VAL 12 -24.159 12.983 -0.201 67 HG23 VAL 12 2HG2 VAL 12 -25.277 13.434 1.087 68 H GLU 13 H GLU 13 -23.330 12.495 -2.606 69 HA GLU 13 HA GLU 13 -22.442 9.818 -3.044 70 HB3 GLU 13 2HB GLU 13 -20.335 10.778 -3.633 71 HG3 GLU 13 2HG GLU 13 -22.482 12.750 -4.380 72 H ASP 14 H ASP 14 -19.855 9.836 -2.014 73 HA ASP 14 HA ASP 14 -19.953 10.241 0.838 74 HB3 ASP 14 2HB ASP 14 -20.859 8.217 1.268 75 H LYS 15 H LYS 15 -17.896 8.699 1.681 76 HA LYS 15 HA LYS 15 -15.672 8.636 -0.079 77 HB3 LYS 15 2HB LYS 15 -15.490 10.955 0.006 78 HG3 LYS 15 2HG LYS 15 -15.822 11.110 2.974 79 HD3 LYS 15 2HD LYS 15 -16.756 13.197 1.097 80 HE3 LYS 15 2HE LYS 15 -15.479 14.593 2.804 81 HZ1 LYS 15 3HZ LYS 15 -17.843 12.955 3.430 82 HZ2 LYS 15 1HZ LYS 15 -17.740 14.620 3.142 83 HZ3 LYS 15 2HZ LYS 15 -17.198 13.981 4.612 84 H TYR 16 H TYR 16 -13.592 8.258 1.172 85 HA TYR 16 HA TYR 16 -14.215 6.744 3.622 86 HB3 TYR 16 2HB TYR 16 -12.494 5.190 3.058 87 HD1 TYR 16 2HD TYR 16 -13.249 6.529 -0.307 88 HD2 TYR 16 1HD TYR 16 -14.241 3.639 2.654 89 HE1 TYR 16 2HE TYR 16 -14.666 5.353 -1.937 90 HE2 TYR 16 1HE TYR 16 -15.660 2.455 1.032 91 HH TYR 16 HH TYR 16 -15.757 3.392 -2.351 92 H LYS 17 H LYS 17 -12.230 6.446 5.052 93 HA LYS 17 HA LYS 17 -10.344 8.652 4.997 94 HB3 LYS 17 2HB LYS 17 -12.537 8.393 7.013 95 HG3 LYS 17 2HG LYS 17 -10.821 10.246 8.115 96 HD3 LYS 17 2HD LYS 17 -10.410 8.127 9.714 97 HE3 LYS 17 2HE LYS 17 -12.476 10.146 9.420 98 HZ1 LYS 17 3HZ LYS 17 -13.617 7.766 9.668 99 HZ2 LYS 17 1HZ LYS 17 -14.242 9.167 10.383 100 HZ3 LYS 17 2HZ LYS 17 -13.311 8.092 11.299 101 H CYS 18 H CYS 18 -8.449 8.203 6.045 102 HA CYS 18 HA CYS 18 -7.829 5.505 6.573 103 HB3 CYS 18 2HB CYS 18 -6.347 8.060 7.209 104 H GLU 19 H GLU 19 -7.627 4.354 8.440 105 HA GLU 19 HA GLU 19 -9.018 5.395 10.754 106 HB3 GLU 19 2HB GLU 19 -8.189 2.954 11.551 107 HG3 GLU 19 2HG GLU 19 -10.269 2.062 10.942 108 H LYS 20 H LYS 20 -6.340 6.435 9.952 109 HA LYS 20 HA LYS 20 -5.012 6.022 12.544 110 HB3 LYS 20 2HB LYS 20 -3.119 6.657 10.450 111 HG3 LYS 20 2HG LYS 20 -3.418 4.465 12.467 112 HD3 LYS 20 2HD LYS 20 -1.149 4.728 10.500 113 HE3 LYS 20 2HE LYS 20 -0.123 3.042 11.600 114 HZ1 LYS 20 3HZ LYS 20 -0.607 3.047 14.003 115 HZ2 LYS 20 1HZ LYS 20 -1.981 3.992 13.712 116 HZ3 LYS 20 2HZ LYS 20 -0.443 4.606 13.366 117 H CYS 21 H CYS 21 -4.682 8.060 9.631 118 HA CYS 21 HA CYS 21 -4.313 10.384 11.380 119 HB3 CYS 21 2HB CYS 21 -2.547 10.193 9.799 120 H HIS 22 H HIS 22 -6.810 8.865 10.008 121 HA HIS 22 HA HIS 22 -8.931 9.440 9.419 122 HB3 HIS 22 2HB HIS 22 -9.807 10.884 10.890 123 HD2 HIS 22 2HD HIS 22 -7.608 9.258 12.466 124 HE1 HIS 22 1HE HIS 22 -6.308 12.975 14.042 125 HE2 HIS 22 2HE HIS 22 -6.183 10.468 14.253 126 H LEU 23 H LEU 23 -6.640 9.982 7.600 127 HA LEU 23 HA LEU 23 -7.169 12.362 6.145 128 HB3 LEU 23 2HB LEU 23 -5.973 10.656 4.352 129 HG LEU 23 HG LEU 23 -4.760 12.498 6.378 130 HD11 LEU 23 1HD1 LEU 23 -2.752 11.580 6.216 131 HD12 LEU 23 2HD1 LEU 23 -2.818 11.704 4.459 132 HD13 LEU 23 3HD1 LEU 23 -3.432 10.261 5.265 133 HD21 LEU 23 3HD2 LEU 23 -5.720 13.644 4.568 134 HD22 LEU 23 1HD2 LEU 23 -5.123 12.468 3.396 135 HD23 LEU 23 2HD2 LEU 23 -3.999 13.568 4.193 136 H VAL 24 H VAL 24 -8.916 12.766 4.978 137 HA VAL 24 HA VAL 24 -10.798 10.787 4.224 138 HB VAL 24 HB VAL 24 -10.500 13.654 3.326 139 HG11 VAL 24 1HG1 VAL 24 -11.709 12.439 1.627 140 HG12 VAL 24 2HG1 VAL 24 -12.755 11.710 2.847 141 HG13 VAL 24 3HG1 VAL 24 -12.835 13.445 2.539 142 HG21 VAL 24 3HG2 VAL 24 -11.799 12.301 5.603 143 HG22 VAL 24 1HG2 VAL 24 -11.145 13.934 5.472 144 HG23 VAL 24 2HG2 VAL 24 -12.741 13.568 4.817 145 H LEU 25 H LEU 25 -10.447 9.309 2.707 146 HA LEU 25 HA LEU 25 -9.077 10.138 0.233 147 HB3 LEU 25 2HB LEU 25 -7.714 8.400 0.400 148 HG LEU 25 HG LEU 25 -9.001 8.133 3.075 149 HD11 LEU 25 1HD1 LEU 25 -6.831 6.318 2.920 150 HD12 LEU 25 2HD1 LEU 25 -7.972 5.911 1.639 151 HD13 LEU 25 3HD1 LEU 25 -8.517 5.986 3.315 152 HD21 LEU 25 3HD2 LEU 25 -6.611 8.437 3.759 153 HD22 LEU 25 1HD2 LEU 25 -7.303 9.792 2.867 154 HD23 LEU 25 2HD2 LEU 25 -6.217 8.665 2.054 155 H CYS 26 H CYS 26 -9.688 8.797 -1.690 156 HA CYS 26 HA CYS 26 -12.591 8.314 -1.654 157 HB3 CYS 26 2HB CYS 26 -11.268 8.558 -4.271 158 H SER 27 H SER 27 -9.545 6.832 -2.056 159 HA SER 27 HA SER 27 -10.847 4.298 -2.679 160 HB3 SER 27 2HB SER 27 -8.355 4.993 -4.203 161 HG SER 27 HG SER 27 -10.056 3.578 -5.598 162 HA PRO 28 HA PRO 28 -7.595 4.044 0.623 163 HB3 PRO 28 2HB PRO 28 -9.149 4.397 2.278 164 HG3 PRO 28 2HG PRO 28 -11.404 3.959 1.919 165 HD3 PRO 28 2HD PRO 28 -10.946 5.235 0.055 166 H LYS 29 H LYS 29 -7.478 1.740 2.065 167 HA LYS 29 HA LYS 29 -7.370 -0.385 0.025 168 HB3 LYS 29 2HB LYS 29 -5.250 -1.050 0.698 169 HG3 LYS 29 2HG LYS 29 -3.795 0.903 0.954 170 HD3 LYS 29 2HD LYS 29 -6.046 1.063 -1.031 171 HE3 LYS 29 2HE LYS 29 -3.521 2.639 -1.323 172 HZ1 LYS 29 3HZ LYS 29 -5.039 2.285 -3.220 173 HZ2 LYS 29 1HZ LYS 29 -4.849 3.918 -2.820 174 HZ3 LYS 29 2HZ LYS 29 -6.258 3.097 -2.373 175 H GLN 30 H GLN 30 -9.613 -0.503 1.224 176 HA GLN 30 HA GLN 30 -10.154 -1.313 3.703 177 HB3 GLN 30 2HB GLN 30 -11.286 -3.234 1.806 178 HG3 GLN 30 2HG GLN 30 -12.479 -1.041 3.483 179 HE21 GLN 30 1HE2 GLN 30 -14.810 -1.997 4.067 180 HE22 GLN 30 2HE2 GLN 30 -15.789 -2.288 2.675 181 H THR 31 H THR 31 -9.345 -2.715 5.102 182 HA THR 31 HA THR 31 -7.511 -4.764 4.245 183 HB THR 31 HB THR 31 -7.072 -5.165 6.558 184 HG1 THR 31 1HG THR 31 -9.584 -3.947 6.907 185 HG21 THR 31 3HG2 THR 31 -6.111 -3.167 7.062 186 HG22 THR 31 1HG2 THR 31 -7.592 -2.257 6.766 187 HG23 THR 31 2HG2 THR 31 -6.599 -2.789 5.410 188 H GLU 32 H GLU 32 -7.961 -6.779 6.095 189 HA GLU 32 HA GLU 32 -10.231 -8.118 4.859 190 HB3 GLU 32 2HB GLU 32 -8.571 -9.510 6.887 191 HG3 GLU 32 2HG GLU 32 -8.673 -10.685 4.261 192 H CYS 33 H CYS 33 -10.215 -6.019 7.162 193 HA CYS 33 HA CYS 33 -11.988 -7.553 8.951 194 HB3 CYS 33 2HB CYS 33 -9.815 -6.704 9.960 195 H GLY 34 H GLY 34 -11.511 -4.666 7.062 196 HA2 GLY 34 1HA GLY 34 -13.748 -3.890 6.141 197 HA3 GLY 34 2HA GLY 34 -14.204 -3.734 7.831 198 H HIS 35 H HIS 35 -11.929 -2.613 8.913 199 HA HIS 35 HA HIS 35 -12.284 0.089 8.504 200 HB3 HIS 35 2HB HIS 35 -9.990 0.342 9.546 201 HD2 HIS 35 2HD HIS 35 -12.086 1.304 11.293 202 HE1 HIS 35 1HE HIS 35 -12.249 -2.323 13.489 203 HE2 HIS 35 2HE HIS 35 -13.001 0.078 13.379 204 H ARG 36 H ARG 36 -10.361 1.590 7.829 205 HA ARG 36 HA ARG 36 -9.064 0.640 5.389 206 HB3 ARG 36 2HB ARG 36 -9.789 2.784 4.238 207 HG3 ARG 36 2HG ARG 36 -11.509 0.458 4.771 208 HD3 ARG 36 2HD ARG 36 -12.946 2.159 3.010 209 HE ARG 36 HE ARG 36 -13.667 0.330 4.812 210 HH11 ARG 36 1HH1 ARG 36 -14.456 3.709 4.541 211 HH12 ARG 36 2HH1 ARG 36 -16.013 3.539 5.283 212 HH21 ARG 36 1HH2 ARG 36 -15.713 0.093 5.791 213 HH22 ARG 36 2HH2 ARG 36 -16.727 1.482 5.994 214 H PHE 37 H PHE 37 -7.329 2.012 4.663 215 HA PHE 37 HA PHE 37 -6.440 4.067 6.542 216 HB3 PHE 37 2HB PHE 37 -4.094 3.012 6.384 217 HD1 PHE 37 1HD PHE 37 -6.575 0.470 7.388 218 HD2 PHE 37 2HD PHE 37 -4.023 3.632 8.656 219 HE1 PHE 37 1HE PHE 37 -6.984 -0.146 9.735 220 HE2 PHE 37 2HE PHE 37 -4.426 3.021 11.004 221 HZ PHE 37 HZ PHE 37 -5.908 1.129 11.547 222 H CYS 38 H CYS 38 -4.334 5.095 5.666 223 HA CYS 38 HA CYS 38 -4.802 5.671 2.837 224 HB3 CYS 38 2HB CYS 38 -4.706 7.537 4.500 225 H GLU 39 H GLU 39 -2.824 6.123 1.495 226 HA GLU 39 HA GLU 39 -1.331 3.899 1.037 227 HB3 GLU 39 2HB GLU 39 0.445 5.655 0.162 228 HG3 GLU 39 2HG GLU 39 -2.300 5.688 -1.058 229 H SER 40 H SER 40 -0.047 6.753 2.754 230 HA SER 40 HA SER 40 2.354 5.703 3.579 231 HB3 SER 40 2HB SER 40 2.031 7.281 5.616 232 HG SER 40 HG SER 40 1.719 8.374 3.015 233 H CYS 41 H CYS 41 -0.053 6.210 6.101 234 HA CYS 41 HA CYS 41 0.753 4.496 7.972 235 HB3 CYS 41 2HB CYS 41 -1.612 4.155 8.641 236 H MET 42 H MET 42 -1.297 3.505 5.236 237 HA MET 42 HA MET 42 -1.587 0.827 5.826 238 HB3 MET 42 2HB MET 42 -1.343 2.246 3.179 239 HG3 MET 42 2HG MET 42 -0.711 -0.102 2.836 240 HE1 MET 42 3HE MET 42 -3.474 0.213 5.576 241 HE2 MET 42 1HE MET 42 -4.317 0.408 4.040 242 HE3 MET 42 2HE MET 42 -4.626 -1.010 5.041 243 H ALA 43 H ALA 43 0.964 2.277 3.796 244 HA ALA 43 HA ALA 43 2.430 -0.067 3.380 245 HB1 ALA 43 3HB ALA 43 2.705 2.070 2.128 246 HB2 ALA 43 1HB ALA 43 3.561 2.721 3.526 247 HB3 ALA 43 2HB ALA 43 4.223 1.340 2.651 248 H ALA 44 H ALA 44 2.319 2.114 6.092 249 HA ALA 44 HA ALA 44 4.743 1.314 7.328 250 HB1 ALA 44 3HB ALA 44 2.380 2.903 8.089 251 HB2 ALA 44 1HB ALA 44 3.280 2.171 9.417 252 HB3 ALA 44 2HB ALA 44 4.098 3.252 8.286 253 H LEU 45 H LEU 45 1.358 0.487 8.108 254 HA LEU 45 HA LEU 45 1.861 -1.400 10.069 255 HB3 LEU 45 2HB LEU 45 -0.350 -2.242 9.670 256 HG LEU 45 HG LEU 45 -0.360 0.706 9.026 257 HD11 LEU 45 1HD1 LEU 45 -2.448 -0.759 8.529 258 HD12 LEU 45 2HD1 LEU 45 -2.632 0.754 9.415 259 HD13 LEU 45 3HD1 LEU 45 -2.624 -0.780 10.284 260 HD21 LEU 45 3HD2 LEU 45 0.037 1.093 11.179 261 HD22 LEU 45 1HD2 LEU 45 0.454 -0.614 11.337 262 HD23 LEU 45 2HD2 LEU 45 -1.190 -0.072 11.679 263 H LEU 46 H LEU 46 1.269 -2.026 6.607 264 HA LEU 46 HA LEU 46 1.657 -4.753 6.588 265 HB3 LEU 46 2HB LEU 46 2.207 -4.548 4.240 266 HG LEU 46 HG LEU 46 0.149 -2.500 5.050 267 HD11 LEU 46 1HD1 LEU 46 0.874 -3.543 2.320 268 HD12 LEU 46 2HD1 LEU 46 0.915 -1.870 2.877 269 HD13 LEU 46 3HD1 LEU 46 -0.630 -2.700 2.692 270 HD21 LEU 46 3HD2 LEU 46 -1.440 -4.219 4.429 271 HD22 LEU 46 1HD2 LEU 46 -0.328 -4.839 5.649 272 HD23 LEU 46 2HD2 LEU 46 -0.126 -5.299 3.959 273 H SER 47 H SER 47 4.029 -2.207 6.798 274 HA SER 47 HA SER 47 6.237 -4.080 6.444 275 HB3 SER 47 2HB SER 47 6.600 -1.193 7.180 276 HG SER 47 HG SER 47 8.418 -2.577 6.891 277 H SER 48 H SER 48 4.388 -4.181 8.765 278 HA SER 48 HA SER 48 6.293 -3.625 10.940 279 HB3 SER 48 2HB SER 48 3.313 -4.120 11.153 280 HG SER 48 HG SER 48 3.671 -4.043 13.213 281 H SER 49 H SER 49 5.870 -6.025 9.013 282 HA SER 49 HA SER 49 6.387 -8.248 9.167 283 HB3 SER 49 2HB SER 49 6.301 -8.633 12.040 284 HG SER 49 HG SER 49 7.862 -9.846 11.366 285 H SER 50 H SER 50 4.251 -7.390 11.894 286 HA SER 50 HA SER 50 2.351 -9.417 10.909 287 HB3 SER 50 2HB SER 50 2.120 -8.648 13.741 288 HG SER 50 HG SER 50 1.002 -10.412 13.295 289 HA PRO 51 HA PRO 51 0.353 -5.214 10.753 290 HB3 PRO 51 2HB PRO 51 0.979 -4.893 8.567 291 HG3 PRO 51 2HG PRO 51 1.497 -6.695 7.190 292 HD3 PRO 51 2HD PRO 51 2.803 -7.205 9.019 293 H LYS 52 H LYS 52 -1.535 -5.151 11.780 294 HA LYS 52 HA LYS 52 -3.546 -7.217 11.169 295 HB3 LYS 52 2HB LYS 52 -4.273 -7.182 13.392 296 HG3 LYS 52 2HG LYS 52 -1.309 -6.921 13.254 297 HD3 LYS 52 2HD LYS 52 -2.540 -7.689 15.842 298 HE3 LYS 52 2HE LYS 52 -0.209 -5.904 15.686 299 HZ1 LYS 52 3HZ LYS 52 -0.640 -8.532 17.002 300 HZ2 LYS 52 1HZ LYS 52 -0.906 -7.025 17.724 301 HZ3 LYS 52 2HZ LYS 52 0.658 -7.482 17.274 302 H CYS 53 H CYS 53 -3.616 -4.010 12.719 303 HA CYS 53 HA CYS 53 -4.736 -2.424 10.875 304 HB3 CYS 53 2HB CYS 53 -6.770 -4.384 11.868 305 H THR 54 H THR 54 -3.864 -0.864 12.183 306 HA THR 54 HA THR 54 -3.852 -0.403 14.794 307 HB THR 54 HB THR 54 -3.837 1.312 12.505 308 HG1 THR 54 1HG THR 54 -2.991 2.363 14.902 309 HG21 THR 54 3HG2 THR 54 -5.357 2.377 14.886 310 HG22 THR 54 1HG2 THR 54 -5.952 2.215 13.236 311 HG23 THR 54 2HG2 THR 54 -4.681 3.381 13.603 312 H ALA 55 H ALA 55 -6.722 -0.068 12.776 313 HA ALA 55 HA ALA 55 -8.456 1.148 14.563 314 HB1 ALA 55 3HB ALA 55 -9.701 -0.978 12.989 315 HB2 ALA 55 1HB ALA 55 -10.012 0.759 13.002 316 HB3 ALA 55 2HB ALA 55 -8.679 0.108 12.047 317 H CYS 56 H CYS 56 -8.701 -2.327 13.854 318 HA CYS 56 HA CYS 56 -9.262 -2.773 16.713 319 HB3 CYS 56 2HB CYS 56 -11.231 -3.198 15.364 320 H GLN 57 H GLN 57 -7.354 -3.678 13.984 321 HA GLN 57 HA GLN 57 -5.344 -4.808 13.973 322 HB3 GLN 57 2HB GLN 57 -4.372 -5.654 15.917 323 HG3 GLN 57 2HG GLN 57 -6.009 -4.061 17.662 324 HE21 GLN 57 1HE2 GLN 57 -3.748 -2.275 15.904 325 HE22 GLN 57 2HE2 GLN 57 -2.400 -2.465 16.967 326 H GLU 58 H GLU 58 -6.099 -6.101 12.315 327 HA GLU 58 HA GLU 58 -6.959 -8.789 13.141 328 HB3 GLU 58 2HB GLU 58 -8.178 -6.995 11.071 329 HG3 GLU 58 2HG GLU 58 -7.680 -9.809 10.706 330 H SER 59 H SER 59 -6.370 -7.333 9.959 331 HA SER 59 HA SER 59 -3.787 -8.462 9.624 332 HB3 SER 59 2HB SER 59 -5.202 -10.531 9.522 333 HG SER 59 HG SER 59 -6.913 -10.482 8.325 334 H ILE 60 H ILE 60 -2.755 -7.483 7.974 335 HA ILE 60 HA ILE 60 -4.364 -6.136 5.917 336 HB ILE 60 HB ILE 60 -1.946 -4.693 6.816 337 HG13 ILE 60 2HG1 ILE 60 -3.074 -5.440 8.943 338 HG21 ILE 60 1HG2 ILE 60 -4.383 -4.201 5.365 339 HG22 ILE 60 2HG2 ILE 60 -4.163 -3.005 6.642 340 HG23 ILE 60 3HG2 ILE 60 -2.903 -3.243 5.431 341 HD11 ILE 60 3HD1 ILE 60 -3.571 -2.536 8.891 342 HD12 ILE 60 1HD1 ILE 60 -2.648 -3.515 10.031 343 HD13 ILE 60 2HD1 ILE 60 -1.941 -3.068 8.478 344 H VAL 61 H VAL 61 -3.736 -6.803 3.983 345 HA VAL 61 HA VAL 61 -0.880 -7.184 3.454 346 HB VAL 61 HB VAL 61 -3.020 -9.204 2.776 347 HG11 VAL 61 1HG1 VAL 61 -0.511 -10.237 2.129 348 HG12 VAL 61 2HG1 VAL 61 -1.781 -9.740 1.008 349 HG13 VAL 61 3HG1 VAL 61 -0.520 -8.599 1.475 350 HG21 VAL 61 3HG2 VAL 61 -0.515 -9.547 4.417 351 HG22 VAL 61 1HG2 VAL 61 -2.109 -9.227 5.104 352 HG23 VAL 61 2HG2 VAL 61 -1.821 -10.711 4.194 353 H LYS 62 H LYS 62 -0.278 -6.188 1.648 354 HA LYS 62 HA LYS 62 -1.870 -4.583 0.102 355 HB3 LYS 62 2HB LYS 62 0.497 -4.347 -0.035 356 HG3 LYS 62 2HG LYS 62 0.830 -6.899 -1.547 357 HD3 LYS 62 2HD LYS 62 3.129 -6.672 -0.565 358 HE3 LYS 62 2HE LYS 62 2.670 -4.118 -1.978 359 HZ1 LYS 62 3HZ LYS 62 4.803 -5.633 -1.642 360 HZ2 LYS 62 1HZ LYS 62 4.591 -4.657 -3.007 361 HZ3 LYS 62 2HZ LYS 62 4.238 -6.309 -3.087 362 H ASP 63 H ASP 63 -1.012 -7.967 -0.503 363 HA ASP 63 HA ASP 63 -2.346 -8.174 -2.992 364 HB3 ASP 63 2HB ASP 63 -1.756 -10.397 -2.956 365 H LYS 64 H LYS 64 -3.375 -8.589 0.334 366 HA LYS 64 HA LYS 64 -6.000 -9.549 -0.491 367 HB3 LYS 64 2HB LYS 64 -6.439 -9.869 1.865 368 HG3 LYS 64 2HG LYS 64 -4.402 -11.194 2.594 369 HD3 LYS 64 2HD LYS 64 -5.297 -11.929 -0.175 370 HE3 LYS 64 2HE LYS 64 -4.043 -13.260 2.046 371 HZ1 LYS 64 3HZ LYS 64 -6.533 -13.801 2.362 372 HZ2 LYS 64 1HZ LYS 64 -5.406 -15.063 2.389 373 HZ3 LYS 64 2HZ LYS 64 -6.331 -14.787 1.002 374 H VAL 65 H VAL 65 -4.550 -6.622 -0.304 375 HA VAL 65 HA VAL 65 -6.803 -5.174 0.844 376 HB VAL 65 HB VAL 65 -4.018 -4.620 0.478 377 HG11 VAL 65 1HG1 VAL 65 -4.120 -2.343 -0.365 378 HG12 VAL 65 2HG1 VAL 65 -4.722 -3.474 -1.577 379 HG13 VAL 65 3HG1 VAL 65 -5.855 -2.502 -0.637 380 HG21 VAL 65 3HG2 VAL 65 -6.329 -3.425 1.946 381 HG22 VAL 65 1HG2 VAL 65 -4.878 -4.201 2.578 382 HG23 VAL 65 2HG2 VAL 65 -4.784 -2.575 1.903 383 H PHE 66 H PHE 66 -7.985 -3.587 -0.299 384 HA PHE 66 HA PHE 66 -8.335 -4.241 -3.116 385 HB3 PHE 66 2HB PHE 66 -10.272 -2.487 -2.755 386 HD1 PHE 66 2HD PHE 66 -9.542 -5.557 -0.758 387 HD2 PHE 66 1HD PHE 66 -12.112 -3.601 -3.529 388 HE1 PHE 66 2HE PHE 66 -10.936 -7.581 -0.888 389 HE2 PHE 66 1HE PHE 66 -13.511 -5.621 -3.663 390 HZ PHE 66 HZ PHE 66 -12.922 -7.615 -2.343 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -47.562 -6.829 -1.622 2 HA2 GLY 1 1HA GLY 1 -49.315 -8.204 -3.238 3 HA3 GLY 1 2HA GLY 1 -49.344 -6.554 -3.839 4 H SER 2 H SER 2 -47.254 -5.596 -4.454 5 HA SER 2 HA SER 2 -45.021 -7.342 -4.919 6 HB3 SER 2 2HB SER 2 -45.629 -6.349 -7.527 7 HG SER 2 HG SER 2 -45.808 -8.756 -7.820 8 H SER 3 H SER 3 -43.162 -6.214 -5.160 9 HA SER 3 HA SER 3 -43.347 -3.321 -4.948 10 HB3 SER 3 2HB SER 3 -41.709 -5.133 -3.738 11 HG SER 3 HG SER 3 -39.968 -5.432 -4.860 12 H GLY 4 H GLY 4 -41.302 -2.218 -6.109 13 HA2 GLY 4 1HA GLY 4 -40.308 -3.029 -8.529 14 HA3 GLY 4 2HA GLY 4 -41.902 -2.393 -8.909 15 H SER 5 H SER 5 -42.077 -0.279 -9.283 16 HA SER 5 HA SER 5 -40.106 1.453 -9.766 17 HB3 SER 5 2HB SER 5 -42.207 2.863 -8.312 18 HG SER 5 HG SER 5 -42.237 3.990 -10.146 19 H SER 6 H SER 6 -38.307 1.587 -8.544 20 HA SER 6 HA SER 6 -38.391 3.115 -6.137 21 HB3 SER 6 2HB SER 6 -39.011 0.964 -5.164 22 HG SER 6 HG SER 6 -37.976 -0.843 -5.620 23 H GLY 7 H GLY 7 -36.882 4.471 -6.979 24 HA2 GLY 7 1HA GLY 7 -34.159 3.436 -7.131 25 HA3 GLY 7 2HA GLY 7 -34.794 4.187 -8.588 26 H PHE 8 H PHE 8 -32.545 5.198 -7.409 27 HA PHE 8 HA PHE 8 -33.354 7.478 -5.783 28 HB3 PHE 8 2HB PHE 8 -30.888 7.934 -5.696 29 HD1 PHE 8 2HD PHE 8 -32.115 7.634 -3.463 30 HD2 PHE 8 1HD PHE 8 -30.408 4.418 -5.668 31 HE1 PHE 8 2HE PHE 8 -32.086 6.257 -1.424 32 HE2 PHE 8 1HE PHE 8 -30.376 3.036 -3.632 33 HZ PHE 8 HZ PHE 8 -31.215 3.955 -1.507 34 H VAL 9 H VAL 9 -32.932 9.642 -6.370 35 HA VAL 9 HA VAL 9 -32.339 10.124 -9.206 36 HB VAL 9 HB VAL 9 -34.830 10.131 -8.791 37 HG11 VAL 9 1HG1 VAL 9 -34.139 12.613 -7.221 38 HG12 VAL 9 2HG1 VAL 9 -35.768 12.131 -7.701 39 HG13 VAL 9 3HG1 VAL 9 -34.844 11.128 -6.582 40 HG21 VAL 9 3HG2 VAL 9 -34.595 12.824 -9.660 41 HG22 VAL 9 1HG2 VAL 9 -33.193 11.932 -10.254 42 HG23 VAL 9 2HG2 VAL 9 -34.822 11.371 -10.633 43 H LYS 10 H LYS 10 -30.935 10.485 -6.564 44 HA LYS 10 HA LYS 10 -30.179 13.283 -7.001 45 HB3 LYS 10 2HB LYS 10 -29.932 13.460 -4.453 46 HG3 LYS 10 2HG LYS 10 -32.566 13.425 -5.861 47 HD3 LYS 10 2HD LYS 10 -32.693 12.779 -3.335 48 HE3 LYS 10 2HE LYS 10 -33.012 15.354 -2.368 49 HZ1 LYS 10 3HZ LYS 10 -30.499 14.392 -1.594 50 HZ2 LYS 10 1HZ LYS 10 -31.535 13.064 -1.748 51 HZ3 LYS 10 2HZ LYS 10 -31.950 14.347 -0.727 52 H THR 11 H THR 11 -28.030 13.784 -6.479 53 HA THR 11 HA THR 11 -26.127 11.828 -6.991 54 HB THR 11 HB THR 11 -24.820 13.779 -5.435 55 HG1 THR 11 1HG THR 11 -25.730 15.680 -6.579 56 HG21 THR 11 3HG2 THR 11 -25.190 14.022 -8.398 57 HG22 THR 11 1HG2 THR 11 -24.302 12.658 -7.719 58 HG23 THR 11 2HG2 THR 11 -23.745 14.306 -7.427 59 H VAL 12 H VAL 12 -24.217 11.407 -5.427 60 HA VAL 12 HA VAL 12 -25.214 10.822 -2.724 61 HB VAL 12 HB VAL 12 -23.710 8.895 -4.500 62 HG11 VAL 12 1HG1 VAL 12 -24.663 8.360 -1.701 63 HG12 VAL 12 2HG1 VAL 12 -23.558 7.402 -2.688 64 HG13 VAL 12 3HG1 VAL 12 -23.042 8.962 -2.045 65 HG21 VAL 12 3HG2 VAL 12 -26.219 8.068 -3.228 66 HG22 VAL 12 1HG2 VAL 12 -26.393 9.359 -4.418 67 HG23 VAL 12 2HG2 VAL 12 -25.650 7.828 -4.880 68 H GLU 13 H GLU 13 -24.007 12.374 -1.714 69 HA GLU 13 HA GLU 13 -21.179 12.640 -2.273 70 HB3 GLU 13 2HB GLU 13 -21.209 14.491 -0.757 71 HG3 GLU 13 2HG GLU 13 -23.918 15.033 -1.642 72 H ASP 14 H ASP 14 -19.725 11.346 -1.387 73 HA ASP 14 HA ASP 14 -19.604 10.849 1.403 74 HB3 ASP 14 2HB ASP 14 -21.361 9.239 0.954 75 H LYS 15 H LYS 15 -17.750 9.461 1.983 76 HA LYS 15 HA LYS 15 -15.875 8.701 -0.045 77 HB3 LYS 15 2HB LYS 15 -15.051 10.810 -0.275 78 HG3 LYS 15 2HG LYS 15 -16.719 11.889 1.173 79 HD3 LYS 15 2HD LYS 15 -14.919 10.820 3.296 80 HE3 LYS 15 2HE LYS 15 -14.812 13.261 3.570 81 HZ1 LYS 15 3HZ LYS 15 -16.988 13.751 2.524 82 HZ2 LYS 15 1HZ LYS 15 -16.771 14.519 4.016 83 HZ3 LYS 15 2HZ LYS 15 -17.759 13.152 3.906 84 H TYR 16 H TYR 16 -13.625 8.294 1.143 85 HA TYR 16 HA TYR 16 -14.291 6.838 3.612 86 HB3 TYR 16 2HB TYR 16 -12.494 5.304 3.073 87 HD1 TYR 16 1HD TYR 16 -13.362 6.333 -0.345 88 HD2 TYR 16 2HD TYR 16 -14.394 3.826 2.933 89 HE1 TYR 16 1HE TYR 16 -14.860 5.045 -1.810 90 HE2 TYR 16 2HE TYR 16 -15.894 2.529 1.477 91 HH TYR 16 HH TYR 16 -15.815 2.666 -1.832 92 H LYS 17 H LYS 17 -12.300 6.483 5.044 93 HA LYS 17 HA LYS 17 -10.400 8.679 5.029 94 HB3 LYS 17 2HB LYS 17 -12.592 8.388 7.043 95 HG3 LYS 17 2HG LYS 17 -10.863 10.209 8.178 96 HD3 LYS 17 2HD LYS 17 -10.467 8.059 9.738 97 HE3 LYS 17 2HE LYS 17 -12.453 10.135 9.515 98 HZ1 LYS 17 3HZ LYS 17 -13.570 8.214 11.297 99 HZ2 LYS 17 1HZ LYS 17 -13.611 7.659 9.700 100 HZ3 LYS 17 2HZ LYS 17 -14.331 9.137 10.100 101 H CYS 18 H CYS 18 -8.506 8.197 6.063 102 HA CYS 18 HA CYS 18 -7.894 5.489 6.530 103 HB3 CYS 18 2HB CYS 18 -6.413 8.029 7.215 104 H GLU 19 H GLU 19 -7.693 4.292 8.370 105 HA GLU 19 HA GLU 19 -9.090 5.275 10.706 106 HB3 GLU 19 2HB GLU 19 -8.283 2.819 11.452 107 HG3 GLU 19 2HG GLU 19 -10.351 1.948 10.806 108 H LYS 20 H LYS 20 -6.429 6.358 9.954 109 HA LYS 20 HA LYS 20 -5.105 5.875 12.535 110 HB3 LYS 20 2HB LYS 20 -3.183 6.554 10.496 111 HG3 LYS 20 2HG LYS 20 -3.557 4.283 12.406 112 HD3 LYS 20 2HD LYS 20 -1.262 4.555 10.471 113 HE3 LYS 20 2HE LYS 20 -0.284 2.835 11.542 114 HZ1 LYS 20 3HZ LYS 20 -0.934 4.401 13.357 115 HZ2 LYS 20 1HZ LYS 20 -0.639 2.815 13.866 116 HZ3 LYS 20 2HZ LYS 20 -2.229 3.373 13.714 117 H CYS 21 H CYS 21 -4.726 7.972 9.669 118 HA CYS 21 HA CYS 21 -4.370 10.258 11.469 119 HB3 CYS 21 2HB CYS 21 -2.601 10.095 9.887 120 H HIS 22 H HIS 22 -6.863 8.774 10.040 121 HA HIS 22 HA HIS 22 -8.983 9.369 9.464 122 HB3 HIS 22 2HB HIS 22 -9.865 10.794 10.952 123 HD2 HIS 22 2HD HIS 22 -7.693 9.102 12.505 124 HE1 HIS 22 1HE HIS 22 -6.379 12.765 14.195 125 HE2 HIS 22 2HE HIS 22 -6.276 10.252 14.338 126 H LEU 23 H LEU 23 -6.694 9.928 7.657 127 HA LEU 23 HA LEU 23 -7.225 12.342 6.248 128 HB3 LEU 23 2HB LEU 23 -5.992 10.692 4.434 129 HG LEU 23 HG LEU 23 -4.814 12.486 6.523 130 HD11 LEU 23 1HD1 LEU 23 -2.843 11.760 4.610 131 HD12 LEU 23 2HD1 LEU 23 -3.458 10.288 5.361 132 HD13 LEU 23 3HD1 LEU 23 -2.801 11.581 6.364 133 HD21 LEU 23 3HD2 LEU 23 -4.818 12.564 3.507 134 HD22 LEU 23 1HD2 LEU 23 -4.197 13.810 4.590 135 HD23 LEU 23 2HD2 LEU 23 -5.924 13.455 4.553 136 H VAL 24 H VAL 24 -8.930 12.758 5.025 137 HA VAL 24 HA VAL 24 -10.784 10.757 4.222 138 HB VAL 24 HB VAL 24 -10.527 13.691 3.637 139 HG11 VAL 24 1HG1 VAL 24 -12.203 11.678 2.233 140 HG12 VAL 24 2HG1 VAL 24 -12.918 13.249 2.604 141 HG13 VAL 24 3HG1 VAL 24 -11.456 13.153 1.621 142 HG21 VAL 24 3HG2 VAL 24 -11.555 12.395 5.766 143 HG22 VAL 24 1HG2 VAL 24 -12.124 13.968 5.208 144 HG23 VAL 24 2HG2 VAL 24 -12.987 12.502 4.744 145 H LEU 25 H LEU 25 -10.465 9.363 2.626 146 HA LEU 25 HA LEU 25 -9.101 10.306 0.190 147 HB3 LEU 25 2HB LEU 25 -7.605 8.690 0.404 148 HG LEU 25 HG LEU 25 -9.050 8.133 2.939 149 HD11 LEU 25 1HD1 LEU 25 -6.790 6.341 2.442 150 HD12 LEU 25 2HD1 LEU 25 -8.232 5.978 1.494 151 HD13 LEU 25 3HD1 LEU 25 -8.325 6.039 3.254 152 HD21 LEU 25 3HD2 LEU 25 -6.193 8.712 2.173 153 HD22 LEU 25 1HD2 LEU 25 -6.744 8.411 3.821 154 HD23 LEU 25 2HD2 LEU 25 -7.340 9.816 2.935 155 H CYS 26 H CYS 26 -9.626 8.870 -1.738 156 HA CYS 26 HA CYS 26 -12.527 8.421 -1.765 157 HB3 CYS 26 2HB CYS 26 -10.587 8.834 -4.050 158 H SER 27 H SER 27 -9.443 6.901 -2.499 159 HA SER 27 HA SER 27 -10.846 4.321 -2.712 160 HB3 SER 27 2HB SER 27 -8.572 5.344 -4.420 161 HG SER 27 HG SER 27 -9.557 2.708 -4.084 162 HA PRO 28 HA PRO 28 -7.707 4.148 0.673 163 HB3 PRO 28 2HB PRO 28 -9.339 4.494 2.253 164 HG3 PRO 28 2HG PRO 28 -11.566 3.997 1.806 165 HD3 PRO 28 2HD PRO 28 -11.056 5.250 -0.061 166 H LYS 29 H LYS 29 -7.608 1.870 2.164 167 HA LYS 29 HA LYS 29 -7.356 -0.285 0.168 168 HB3 LYS 29 2HB LYS 29 -5.290 -0.974 1.106 169 HG3 LYS 29 2HG LYS 29 -3.816 0.921 0.960 170 HD3 LYS 29 2HD LYS 29 -5.977 1.678 -0.950 171 HE3 LYS 29 2HE LYS 29 -3.024 1.531 -0.878 172 HZ1 LYS 29 3HZ LYS 29 -3.381 0.029 -2.664 173 HZ2 LYS 29 1HZ LYS 29 -2.994 1.527 -3.351 174 HZ3 LYS 29 2HZ LYS 29 -4.599 0.993 -3.333 175 H GLN 30 H GLN 30 -9.672 -0.220 1.443 176 HA GLN 30 HA GLN 30 -10.166 -1.131 3.905 177 HB3 GLN 30 2HB GLN 30 -11.502 -2.786 1.856 178 HG3 GLN 30 2HG GLN 30 -12.559 -0.809 3.865 179 HE21 GLN 30 1HE2 GLN 30 -14.680 -2.625 4.472 180 HE22 GLN 30 2HE2 GLN 30 -15.802 -2.557 3.161 181 H THR 31 H THR 31 -8.911 -2.464 5.054 182 HA THR 31 HA THR 31 -7.401 -4.597 4.072 183 HB THR 31 HB THR 31 -6.959 -5.208 6.307 184 HG1 THR 31 1HG THR 31 -9.334 -3.822 7.071 185 HG21 THR 31 3HG2 THR 31 -6.172 -3.237 7.180 186 HG22 THR 31 1HG2 THR 31 -7.659 -2.358 6.824 187 HG23 THR 31 2HG2 THR 31 -6.518 -2.721 5.529 188 H GLU 32 H GLU 32 -8.177 -6.637 6.021 189 HA GLU 32 HA GLU 32 -10.391 -7.814 4.492 190 HB3 GLU 32 2HB GLU 32 -8.615 -9.331 6.382 191 HG3 GLU 32 2HG GLU 32 -8.955 -10.978 4.344 192 H CYS 33 H CYS 33 -10.308 -5.956 6.996 193 HA CYS 33 HA CYS 33 -12.106 -7.597 8.657 194 HB3 CYS 33 2HB CYS 33 -9.995 -6.812 9.762 195 H GLY 34 H GLY 34 -11.661 -4.561 6.983 196 HA2 GLY 34 1HA GLY 34 -13.956 -3.827 6.092 197 HA3 GLY 34 2HA GLY 34 -14.362 -3.713 7.799 198 H HIS 35 H HIS 35 -12.073 -2.591 8.840 199 HA HIS 35 HA HIS 35 -12.463 0.117 8.480 200 HB3 HIS 35 2HB HIS 35 -10.208 0.399 9.540 201 HD2 HIS 35 2HD HIS 35 -12.252 1.160 11.405 202 HE1 HIS 35 1HE HIS 35 -12.309 -2.626 13.318 203 HE2 HIS 35 2HE HIS 35 -13.108 -0.239 13.406 204 H ARG 36 H ARG 36 -10.382 1.562 7.883 205 HA ARG 36 HA ARG 36 -9.203 0.677 5.369 206 HB3 ARG 36 2HB ARG 36 -9.882 2.836 4.271 207 HG3 ARG 36 2HG ARG 36 -11.852 0.722 4.975 208 HD3 ARG 36 2HD ARG 36 -12.635 2.884 3.077 209 HE ARG 36 HE ARG 36 -14.556 1.511 4.749 210 HH11 ARG 36 1HH1 ARG 36 -12.819 1.550 1.732 211 HH12 ARG 36 2HH1 ARG 36 -13.956 0.530 0.915 212 HH21 ARG 36 1HH2 ARG 36 -16.060 0.167 3.683 213 HH22 ARG 36 2HH2 ARG 36 -15.800 -0.255 2.024 214 H PHE 37 H PHE 37 -7.493 2.125 4.612 215 HA PHE 37 HA PHE 37 -6.494 4.061 6.542 216 HB3 PHE 37 2HB PHE 37 -4.181 2.932 6.341 217 HD1 PHE 37 1HD PHE 37 -6.552 0.326 7.349 218 HD2 PHE 37 2HD PHE 37 -4.246 3.669 8.623 219 HE1 PHE 37 1HE PHE 37 -6.950 -0.297 9.695 220 HE2 PHE 37 2HE PHE 37 -4.641 3.051 10.971 221 HZ PHE 37 HZ PHE 37 -5.993 1.065 11.510 222 H CYS 38 H CYS 38 -4.395 5.069 5.672 223 HA CYS 38 HA CYS 38 -4.844 5.668 2.844 224 HB3 CYS 38 2HB CYS 38 -4.747 7.524 4.518 225 H GLU 39 H GLU 39 -2.872 6.090 1.502 226 HA GLU 39 HA GLU 39 -1.385 3.863 1.054 227 HB3 GLU 39 2HB GLU 39 0.415 5.697 0.255 228 HG3 GLU 39 2HG GLU 39 -2.091 5.809 -1.303 229 H SER 40 H SER 40 -0.063 6.713 2.751 230 HA SER 40 HA SER 40 2.318 5.647 3.592 231 HB3 SER 40 2HB SER 40 1.844 7.207 5.697 232 HG SER 40 HG SER 40 1.881 8.697 3.377 233 H CYS 41 H CYS 41 -0.118 6.153 6.091 234 HA CYS 41 HA CYS 41 0.674 4.448 7.977 235 HB3 CYS 41 2HB CYS 41 -1.715 4.068 8.586 236 H MET 42 H MET 42 -1.277 3.445 5.178 237 HA MET 42 HA MET 42 -1.576 0.763 5.777 238 HB3 MET 42 2HB MET 42 -1.245 2.139 3.112 239 HG3 MET 42 2HG MET 42 -0.872 -0.496 3.303 240 HE1 MET 42 3HE MET 42 -3.487 0.401 5.312 241 HE2 MET 42 1HE MET 42 -4.271 -1.173 5.450 242 HE3 MET 42 2HE MET 42 -2.518 -1.043 5.601 243 H ALA 43 H ALA 43 0.959 2.158 3.685 244 HA ALA 43 HA ALA 43 2.459 -0.184 3.407 245 HB1 ALA 43 3HB ALA 43 2.801 2.636 2.803 246 HB2 ALA 43 1HB ALA 43 4.317 1.848 3.237 247 HB3 ALA 43 2HB ALA 43 3.342 1.214 1.912 248 H ALA 44 H ALA 44 2.173 1.994 6.055 249 HA ALA 44 HA ALA 44 4.677 1.378 7.299 250 HB1 ALA 44 3HB ALA 44 2.211 2.512 8.607 251 HB2 ALA 44 1HB ALA 44 3.879 2.635 9.166 252 HB3 ALA 44 2HB ALA 44 3.377 3.473 7.696 253 H LEU 45 H LEU 45 1.309 0.394 7.909 254 HA LEU 45 HA LEU 45 1.847 -1.344 10.040 255 HB3 LEU 45 2HB LEU 45 -0.341 -2.309 9.587 256 HG LEU 45 HG LEU 45 -0.392 0.673 9.137 257 HD11 LEU 45 1HD1 LEU 45 -2.452 -0.635 8.426 258 HD12 LEU 45 2HD1 LEU 45 -2.691 0.649 9.610 259 HD13 LEU 45 3HD1 LEU 45 -2.653 -1.034 10.133 260 HD21 LEU 45 3HD2 LEU 45 0.032 0.873 11.306 261 HD22 LEU 45 1HD2 LEU 45 0.304 -0.867 11.390 262 HD23 LEU 45 2HD2 LEU 45 -1.303 -0.211 11.700 263 H LEU 46 H LEU 46 1.644 -1.941 6.552 264 HA LEU 46 HA LEU 46 1.884 -4.702 6.547 265 HB3 LEU 46 2HB LEU 46 2.798 -4.471 4.290 266 HG LEU 46 HG LEU 46 0.605 -2.469 4.821 267 HD11 LEU 46 1HD1 LEU 46 1.473 -1.799 2.761 268 HD12 LEU 46 2HD1 LEU 46 0.159 -2.894 2.334 269 HD13 LEU 46 3HD1 LEU 46 1.829 -3.455 2.266 270 HD21 LEU 46 3HD2 LEU 46 -0.512 -4.370 5.232 271 HD22 LEU 46 1HD2 LEU 46 0.728 -5.379 4.487 272 HD23 LEU 46 2HD2 LEU 46 -0.478 -4.576 3.480 273 H SER 47 H SER 47 4.294 -2.255 7.121 274 HA SER 47 HA SER 47 6.463 -4.202 7.003 275 HB3 SER 47 2HB SER 47 6.769 -1.316 7.803 276 HG SER 47 HG SER 47 8.808 -1.670 7.294 277 H SER 48 H SER 48 4.392 -4.416 9.044 278 HA SER 48 HA SER 48 5.959 -3.865 11.474 279 HB3 SER 48 2HB SER 48 3.010 -4.512 11.336 280 HG SER 48 HG SER 48 3.177 -4.378 13.414 281 H SER 49 H SER 49 6.388 -6.118 9.672 282 HA SER 49 HA SER 49 6.457 -8.420 9.633 283 HB3 SER 49 2HB SER 49 7.001 -8.676 12.485 284 HG SER 49 HG SER 49 8.984 -8.713 10.523 285 H SER 50 H SER 50 3.812 -7.266 10.324 286 HA SER 50 HA SER 50 2.255 -9.444 10.606 287 HB3 SER 50 2HB SER 50 1.742 -9.032 13.242 288 HG SER 50 HG SER 50 3.559 -10.845 13.310 289 HA PRO 51 HA PRO 51 0.268 -5.210 10.454 290 HB3 PRO 51 2HB PRO 51 0.878 -4.850 8.269 291 HG3 PRO 51 2HG PRO 51 1.406 -6.627 6.864 292 HD3 PRO 51 2HD PRO 51 2.727 -7.151 8.679 293 H LYS 52 H LYS 52 -1.618 -5.175 11.486 294 HA LYS 52 HA LYS 52 -3.615 -7.248 10.851 295 HB3 LYS 52 2HB LYS 52 -4.347 -7.237 13.085 296 HG3 LYS 52 2HG LYS 52 -1.395 -7.128 12.849 297 HD3 LYS 52 2HD LYS 52 -2.531 -7.672 15.541 298 HE3 LYS 52 2HE LYS 52 0.045 -6.478 14.519 299 HZ1 LYS 52 3HZ LYS 52 -1.090 -6.317 17.072 300 HZ2 LYS 52 1HZ LYS 52 0.448 -5.817 16.576 301 HZ3 LYS 52 2HZ LYS 52 0.217 -7.388 17.159 302 H CYS 53 H CYS 53 -3.699 -4.077 12.474 303 HA CYS 53 HA CYS 53 -4.844 -2.459 10.671 304 HB3 CYS 53 2HB CYS 53 -6.856 -4.453 11.640 305 H THR 54 H THR 54 -4.029 -0.879 11.967 306 HA THR 54 HA THR 54 -3.955 -0.467 14.589 307 HB THR 54 HB THR 54 -4.078 1.292 12.329 308 HG1 THR 54 1HG THR 54 -2.374 0.913 13.977 309 HG21 THR 54 3HG2 THR 54 -5.473 2.303 14.810 310 HG22 THR 54 1HG2 THR 54 -6.201 2.082 13.219 311 HG23 THR 54 2HG2 THR 54 -4.951 3.304 13.455 312 H ALA 55 H ALA 55 -6.887 -0.161 12.651 313 HA ALA 55 HA ALA 55 -8.603 0.947 14.530 314 HB1 ALA 55 3HB ALA 55 -8.862 -0.018 11.977 315 HB2 ALA 55 1HB ALA 55 -9.856 -1.135 12.913 316 HB3 ALA 55 2HB ALA 55 -10.175 0.599 12.980 317 H CYS 56 H CYS 56 -8.799 -2.500 13.681 318 HA CYS 56 HA CYS 56 -9.282 -3.076 16.531 319 HB3 CYS 56 2HB CYS 56 -11.263 -3.508 15.205 320 H GLN 57 H GLN 57 -7.439 -3.866 13.705 321 HA GLN 57 HA GLN 57 -5.403 -4.939 13.596 322 HB3 GLN 57 2HB GLN 57 -4.325 -5.774 15.486 323 HG3 GLN 57 2HG GLN 57 -5.929 -4.265 17.328 324 HE21 GLN 57 1HE2 GLN 57 -3.580 -2.896 15.131 325 HE22 GLN 57 2HE2 GLN 57 -2.271 -2.842 16.257 326 H GLU 58 H GLU 58 -6.237 -6.220 11.953 327 HA GLU 58 HA GLU 58 -6.989 -8.941 12.783 328 HB3 GLU 58 2HB GLU 58 -8.301 -7.153 10.766 329 HG3 GLU 58 2HG GLU 58 -7.676 -9.280 9.604 330 H SER 59 H SER 59 -6.395 -7.330 9.664 331 HA SER 59 HA SER 59 -3.849 -8.491 9.245 332 HB3 SER 59 2HB SER 59 -5.305 -10.536 9.069 333 HG SER 59 HG SER 59 -6.695 -10.710 7.372 334 H ILE 60 H ILE 60 -2.823 -7.471 7.613 335 HA ILE 60 HA ILE 60 -4.432 -6.027 5.627 336 HB ILE 60 HB ILE 60 -2.012 -4.626 6.595 337 HG13 ILE 60 2HG1 ILE 60 -3.170 -5.445 8.678 338 HG21 ILE 60 1HG2 ILE 60 -4.332 -3.000 6.438 339 HG22 ILE 60 2HG2 ILE 60 -2.937 -3.036 5.359 340 HG23 ILE 60 3HG2 ILE 60 -4.323 -4.079 5.043 341 HD11 ILE 60 3HD1 ILE 60 -2.606 -3.605 9.795 342 HD12 ILE 60 1HD1 ILE 60 -2.107 -2.975 8.226 343 HD13 ILE 60 2HD1 ILE 60 -3.705 -2.588 8.865 344 H VAL 61 H VAL 61 -3.863 -7.133 3.842 345 HA VAL 61 HA VAL 61 -0.984 -7.323 3.232 346 HB VAL 61 HB VAL 61 -3.150 -9.313 2.547 347 HG11 VAL 61 1HG1 VAL 61 -1.212 -10.601 1.544 348 HG12 VAL 61 2HG1 VAL 61 -1.776 -9.201 0.630 349 HG13 VAL 61 3HG1 VAL 61 -0.306 -9.089 1.597 350 HG21 VAL 61 3HG2 VAL 61 -2.412 -9.649 4.777 351 HG22 VAL 61 1HG2 VAL 61 -1.594 -10.861 3.790 352 HG23 VAL 61 2HG2 VAL 61 -0.723 -9.424 4.326 353 H LYS 62 H LYS 62 -0.428 -6.127 1.547 354 HA LYS 62 HA LYS 62 -1.962 -4.532 0.005 355 HB3 LYS 62 2HB LYS 62 0.394 -4.342 -0.184 356 HG3 LYS 62 2HG LYS 62 0.761 -6.842 -1.734 357 HD3 LYS 62 2HD LYS 62 2.926 -6.687 -0.292 358 HE3 LYS 62 2HE LYS 62 2.125 -4.980 -2.607 359 HZ1 LYS 62 3HZ LYS 62 3.700 -3.524 -1.926 360 HZ2 LYS 62 1HZ LYS 62 4.732 -4.649 -2.656 361 HZ3 LYS 62 2HZ LYS 62 4.524 -4.656 -0.977 362 H ASP 63 H ASP 63 -1.151 -7.903 -0.765 363 HA ASP 63 HA ASP 63 -2.492 -8.047 -3.219 364 HB3 ASP 63 2HB ASP 63 -2.361 -10.410 -1.380 365 H LYS 64 H LYS 64 -3.618 -8.651 0.078 366 HA LYS 64 HA LYS 64 -6.294 -9.287 -0.853 367 HB3 LYS 64 2HB LYS 64 -6.800 -9.831 1.405 368 HG3 LYS 64 2HG LYS 64 -4.391 -10.881 2.128 369 HD3 LYS 64 2HD LYS 64 -5.999 -12.183 -0.034 370 HE3 LYS 64 2HE LYS 64 -5.155 -13.322 2.608 371 HZ1 LYS 64 3HZ LYS 64 -4.899 -15.160 0.608 372 HZ2 LYS 64 1HZ LYS 64 -6.302 -14.313 0.187 373 HZ3 LYS 64 2HZ LYS 64 -6.184 -15.054 1.703 374 H VAL 65 H VAL 65 -4.568 -6.509 -0.229 375 HA VAL 65 HA VAL 65 -6.849 -4.989 0.776 376 HB VAL 65 HB VAL 65 -4.045 -4.717 1.040 377 HG11 VAL 65 1HG1 VAL 65 -3.750 -2.345 0.411 378 HG12 VAL 65 2HG1 VAL 65 -3.999 -3.398 -0.983 379 HG13 VAL 65 3HG1 VAL 65 -5.320 -2.388 -0.391 380 HG21 VAL 65 3HG2 VAL 65 -5.146 -4.194 2.949 381 HG22 VAL 65 1HG2 VAL 65 -5.010 -2.558 2.305 382 HG23 VAL 65 2HG2 VAL 65 -6.506 -3.466 2.094 383 H PHE 66 H PHE 66 -8.006 -3.568 -0.409 384 HA PHE 66 HA PHE 66 -7.178 -2.314 -2.770 385 HB3 PHE 66 2HB PHE 66 -7.215 -4.284 -4.008 386 HD1 PHE 66 2HD PHE 66 -10.778 -4.619 -3.162 387 HD2 PHE 66 1HD PHE 66 -6.891 -6.320 -2.822 388 HE1 PHE 66 2HE PHE 66 -11.771 -6.714 -2.341 389 HE2 PHE 66 1HE PHE 66 -7.878 -8.419 -2.002 390 HZ PHE 66 HZ PHE 66 -10.320 -8.618 -1.758 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -59.470 11.484 -1.700 2 HA2 GLY 1 1HA GLY 1 -57.382 10.866 -0.811 3 HA3 GLY 1 2HA GLY 1 -57.560 9.738 -2.148 4 H SER 2 H SER 2 -55.124 10.834 -0.963 5 HA SER 2 HA SER 2 -53.960 11.920 -3.427 6 HB3 SER 2 2HB SER 2 -52.911 12.976 -0.845 7 HG SER 2 HG SER 2 -53.106 13.775 -3.519 8 H SER 3 H SER 3 -53.352 9.628 -3.590 9 HA SER 3 HA SER 3 -51.115 8.901 -1.824 10 HB3 SER 3 2HB SER 3 -52.329 6.932 -3.715 11 HG SER 3 HG SER 3 -50.922 5.907 -2.503 12 H GLY 4 H GLY 4 -49.618 10.247 -2.952 13 HA2 GLY 4 1HA GLY 4 -47.832 9.172 -4.596 14 HA3 GLY 4 2HA GLY 4 -49.081 9.618 -5.749 15 H SER 5 H SER 5 -46.361 10.661 -4.052 16 HA SER 5 HA SER 5 -46.730 13.372 -5.097 17 HB3 SER 5 2HB SER 5 -46.867 12.720 -2.342 18 HG SER 5 HG SER 5 -45.123 14.112 -1.628 19 H SER 6 H SER 6 -44.592 14.629 -4.866 20 HA SER 6 HA SER 6 -42.626 13.345 -6.359 21 HB3 SER 6 2HB SER 6 -42.676 15.858 -4.723 22 HG SER 6 HG SER 6 -40.424 15.518 -6.240 23 H GLY 7 H GLY 7 -41.968 11.397 -5.505 24 HA2 GLY 7 1HA GLY 7 -41.132 11.085 -2.794 25 HA3 GLY 7 2HA GLY 7 -40.885 9.931 -4.097 26 H PHE 8 H PHE 8 -39.261 11.584 -1.879 27 HA PHE 8 HA PHE 8 -36.952 12.110 -3.630 28 HB3 PHE 8 2HB PHE 8 -36.239 13.337 -1.346 29 HD1 PHE 8 1HD PHE 8 -38.199 13.522 -4.385 30 HD2 PHE 8 2HD PHE 8 -36.143 15.797 -1.433 31 HE1 PHE 8 1HE PHE 8 -38.201 15.468 -5.889 32 HE2 PHE 8 2HE PHE 8 -36.142 17.748 -2.932 33 HZ PHE 8 HZ PHE 8 -37.172 17.585 -5.163 34 H VAL 9 H VAL 9 -35.190 10.890 -3.413 35 HA VAL 9 HA VAL 9 -35.172 8.809 -1.385 36 HB VAL 9 HB VAL 9 -34.621 8.268 -3.739 37 HG11 VAL 9 1HG1 VAL 9 -32.989 9.266 -4.924 38 HG12 VAL 9 2HG1 VAL 9 -33.178 10.563 -3.743 39 HG13 VAL 9 3HG1 VAL 9 -31.901 9.364 -3.540 40 HG21 VAL 9 3HG2 VAL 9 -32.932 7.661 -1.418 41 HG22 VAL 9 1HG2 VAL 9 -33.727 6.578 -2.561 42 HG23 VAL 9 2HG2 VAL 9 -32.185 7.325 -2.979 43 H LYS 10 H LYS 10 -33.838 8.704 0.330 44 HA LYS 10 HA LYS 10 -32.247 11.053 0.948 45 HB3 LYS 10 2HB LYS 10 -31.876 9.478 3.091 46 HG3 LYS 10 2HG LYS 10 -33.108 11.712 2.918 47 HD3 LYS 10 2HD LYS 10 -35.647 10.382 3.411 48 HE3 LYS 10 2HE LYS 10 -34.785 12.888 2.745 49 HZ1 LYS 10 3HZ LYS 10 -34.478 12.310 0.434 50 HZ2 LYS 10 1HZ LYS 10 -35.798 13.358 0.589 51 HZ3 LYS 10 2HZ LYS 10 -36.055 11.706 0.334 52 H THR 11 H THR 11 -30.069 11.152 1.028 53 HA THR 11 HA THR 11 -28.363 8.896 1.225 54 HB THR 11 HB THR 11 -27.556 9.885 -1.311 55 HG1 THR 11 1HG THR 11 -29.854 10.439 -1.478 56 HG21 THR 11 3HG2 THR 11 -26.913 7.734 -1.018 57 HG22 THR 11 1HG2 THR 11 -28.441 7.389 -1.825 58 HG23 THR 11 2HG2 THR 11 -28.340 7.325 -0.066 59 H VAL 12 H VAL 12 -26.064 9.489 1.004 60 HA VAL 12 HA VAL 12 -25.576 12.381 1.184 61 HB VAL 12 HB VAL 12 -25.721 11.111 3.463 62 HG11 VAL 12 1HG1 VAL 12 -23.728 10.045 4.202 63 HG12 VAL 12 2HG1 VAL 12 -24.169 9.304 2.663 64 HG13 VAL 12 3HG1 VAL 12 -22.868 10.492 2.730 65 HG21 VAL 12 3HG2 VAL 12 -23.225 12.564 3.572 66 HG22 VAL 12 1HG2 VAL 12 -24.415 13.399 2.573 67 HG23 VAL 12 2HG2 VAL 12 -24.801 12.983 4.244 68 H GLU 13 H GLU 13 -23.938 13.020 -0.053 69 HA GLU 13 HA GLU 13 -22.234 10.995 -1.282 70 HB3 GLU 13 2HB GLU 13 -21.457 13.083 -2.619 71 HG3 GLU 13 2HG GLU 13 -24.182 11.863 -2.827 72 H ASP 14 H ASP 14 -20.219 10.631 -0.647 73 HA ASP 14 HA ASP 14 -18.460 12.685 0.247 74 HB3 ASP 14 2HB ASP 14 -18.315 11.021 2.491 75 H LYS 15 H LYS 15 -16.577 11.265 1.607 76 HA LYS 15 HA LYS 15 -15.949 9.005 -0.174 77 HB3 LYS 15 2HB LYS 15 -13.871 9.802 -0.659 78 HG3 LYS 15 2HG LYS 15 -15.715 11.792 -0.831 79 HD3 LYS 15 2HD LYS 15 -14.275 12.518 1.397 80 HE3 LYS 15 2HE LYS 15 -12.314 12.913 -0.124 81 HZ1 LYS 15 3HZ LYS 15 -14.082 15.060 -1.162 82 HZ2 LYS 15 1HZ LYS 15 -13.405 13.785 -2.046 83 HZ3 LYS 15 2HZ LYS 15 -12.410 14.999 -1.414 84 H TYR 16 H TYR 16 -13.591 8.192 0.969 85 HA TYR 16 HA TYR 16 -14.544 7.167 3.541 86 HB3 TYR 16 2HB TYR 16 -12.772 5.461 3.271 87 HD1 TYR 16 2HD TYR 16 -15.716 6.581 1.880 88 HD2 TYR 16 1HD TYR 16 -12.734 3.609 1.264 89 HE1 TYR 16 2HE TYR 16 -17.344 5.214 0.644 90 HE2 TYR 16 1HE TYR 16 -14.353 2.234 0.025 91 HH TYR 16 HH TYR 16 -16.591 1.951 -0.393 92 H LYS 17 H LYS 17 -12.410 6.522 4.931 93 HA LYS 17 HA LYS 17 -10.489 8.689 5.018 94 HB3 LYS 17 2HB LYS 17 -12.671 8.352 7.033 95 HG3 LYS 17 2HG LYS 17 -10.888 10.066 8.250 96 HD3 LYS 17 2HD LYS 17 -10.543 7.837 9.700 97 HE3 LYS 17 2HE LYS 17 -12.494 9.956 9.577 98 HZ1 LYS 17 3HZ LYS 17 -13.711 7.519 9.622 99 HZ2 LYS 17 1HZ LYS 17 -14.384 8.974 10.163 100 HZ3 LYS 17 2HZ LYS 17 -13.620 7.937 11.259 101 H CYS 18 H CYS 18 -8.593 8.121 6.000 102 HA CYS 18 HA CYS 18 -8.018 5.389 6.323 103 HB3 CYS 18 2HB CYS 18 -6.522 7.890 7.096 104 H GLU 19 H GLU 19 -7.809 4.087 8.092 105 HA GLU 19 HA GLU 19 -9.213 4.936 10.478 106 HB3 GLU 19 2HB GLU 19 -8.528 2.472 11.134 107 HG3 GLU 19 2HG GLU 19 -10.498 1.620 10.240 108 H LYS 20 H LYS 20 -6.602 6.122 9.853 109 HA LYS 20 HA LYS 20 -5.280 5.483 12.392 110 HB3 LYS 20 2HB LYS 20 -3.314 6.228 10.430 111 HG3 LYS 20 2HG LYS 20 -3.776 3.802 12.133 112 HD3 LYS 20 2HD LYS 20 -1.421 4.309 10.314 113 HE3 LYS 20 2HE LYS 20 -0.651 2.141 11.032 114 HZ1 LYS 20 3HZ LYS 20 0.026 2.666 13.176 115 HZ2 LYS 20 1HZ LYS 20 -1.398 3.502 13.544 116 HZ3 LYS 20 2HZ LYS 20 -0.266 4.183 12.487 117 H CYS 21 H CYS 21 -4.759 7.683 9.632 118 HA CYS 21 HA CYS 21 -4.408 9.889 11.517 119 HB3 CYS 21 2HB CYS 21 -2.665 9.764 9.897 120 H HIS 22 H HIS 22 -6.924 8.499 9.988 121 HA HIS 22 HA HIS 22 -9.046 9.146 9.483 122 HB3 HIS 22 2HB HIS 22 -9.915 10.515 11.033 123 HD2 HIS 22 2HD HIS 22 -7.797 8.658 12.480 124 HE1 HIS 22 1HE HIS 22 -6.419 12.161 14.436 125 HE2 HIS 22 2HE HIS 22 -6.374 9.643 14.402 126 H LEU 23 H LEU 23 -6.794 9.750 7.672 127 HA LEU 23 HA LEU 23 -7.324 12.251 6.402 128 HB3 LEU 23 2HB LEU 23 -6.063 10.740 4.505 129 HG LEU 23 HG LEU 23 -4.903 12.363 6.738 130 HD11 LEU 23 1HD1 LEU 23 -3.540 10.261 5.428 131 HD12 LEU 23 2HD1 LEU 23 -2.886 11.477 6.523 132 HD13 LEU 23 3HD1 LEU 23 -2.918 11.782 4.787 133 HD21 LEU 23 3HD2 LEU 23 -5.976 13.519 4.875 134 HD22 LEU 23 1HD2 LEU 23 -4.931 12.667 3.736 135 HD23 LEU 23 2HD2 LEU 23 -4.235 13.810 4.886 136 H VAL 24 H VAL 24 -9.032 12.709 5.199 137 HA VAL 24 HA VAL 24 -10.870 10.739 4.299 138 HB VAL 24 HB VAL 24 -10.618 13.692 3.781 139 HG11 VAL 24 1HG1 VAL 24 -12.569 11.744 2.578 140 HG12 VAL 24 2HG1 VAL 24 -12.903 13.471 2.711 141 HG13 VAL 24 3HG1 VAL 24 -11.535 12.908 1.750 142 HG21 VAL 24 3HG2 VAL 24 -11.676 12.229 5.876 143 HG22 VAL 24 1HG2 VAL 24 -12.006 13.923 5.513 144 HG23 VAL 24 2HG2 VAL 24 -13.089 12.667 4.914 145 H LEU 25 H LEU 25 -10.488 9.392 2.672 146 HA LEU 25 HA LEU 25 -9.052 10.413 0.310 147 HB3 LEU 25 2HB LEU 25 -7.771 8.598 0.289 148 HG LEU 25 HG LEU 25 -8.991 8.221 2.992 149 HD11 LEU 25 1HD1 LEU 25 -6.748 6.459 2.452 150 HD12 LEU 25 2HD1 LEU 25 -8.176 6.051 1.504 151 HD13 LEU 25 3HD1 LEU 25 -8.279 6.130 3.262 152 HD21 LEU 25 3HD2 LEU 25 -6.491 8.449 3.539 153 HD22 LEU 25 1HD2 LEU 25 -7.358 9.884 2.991 154 HD23 LEU 25 2HD2 LEU 25 -6.322 8.999 1.872 155 H CYS 26 H CYS 26 -9.568 8.645 -1.580 156 HA CYS 26 HA CYS 26 -12.509 8.546 -1.763 157 HB3 CYS 26 2HB CYS 26 -11.664 8.589 -4.371 158 H SER 27 H SER 27 -9.749 6.727 -1.577 159 HA SER 27 HA SER 27 -11.078 4.290 -2.102 160 HB3 SER 27 2HB SER 27 -10.883 4.644 -4.416 161 HG SER 27 HG SER 27 -9.597 6.260 -4.872 162 HA PRO 28 HA PRO 28 -7.369 4.077 0.626 163 HB3 PRO 28 2HB PRO 28 -8.699 4.338 2.481 164 HG3 PRO 28 2HG PRO 28 -10.959 3.794 2.423 165 HD3 PRO 28 2HD PRO 28 -10.819 5.109 0.535 166 H LYS 29 H LYS 29 -6.959 1.763 2.003 167 HA LYS 29 HA LYS 29 -6.856 -0.262 -0.134 168 HB3 LYS 29 2HB LYS 29 -4.812 -1.093 0.868 169 HG3 LYS 29 2HG LYS 29 -3.303 0.820 0.668 170 HD3 LYS 29 2HD LYS 29 -5.494 0.999 -1.397 171 HE3 LYS 29 2HE LYS 29 -2.558 1.616 -1.359 172 HZ1 LYS 29 3HZ LYS 29 -4.227 0.832 -3.655 173 HZ2 LYS 29 1HZ LYS 29 -2.623 0.416 -3.308 174 HZ3 LYS 29 2HZ LYS 29 -2.994 1.972 -3.860 175 H GLN 30 H GLN 30 -9.162 -0.396 1.065 176 HA GLN 30 HA GLN 30 -9.726 -1.457 3.437 177 HB3 GLN 30 2HB GLN 30 -10.884 -3.134 1.327 178 HG3 GLN 30 2HG GLN 30 -12.037 -1.170 3.291 179 HE21 GLN 30 1HE2 GLN 30 -14.207 -3.211 3.496 180 HE22 GLN 30 2HE2 GLN 30 -15.263 -2.868 2.173 181 H THR 31 H THR 31 -8.880 -2.976 4.681 182 HA THR 31 HA THR 31 -7.114 -4.975 3.613 183 HB THR 31 HB THR 31 -6.606 -5.564 5.839 184 HG1 THR 31 1HG THR 31 -8.875 -4.131 6.777 185 HG21 THR 31 3HG2 THR 31 -5.943 -3.535 6.801 186 HG22 THR 31 1HG2 THR 31 -7.354 -2.676 6.186 187 HG23 THR 31 2HG2 THR 31 -6.069 -3.164 5.081 188 H GLU 32 H GLU 32 -7.817 -7.007 5.601 189 HA GLU 32 HA GLU 32 -10.031 -8.240 4.123 190 HB3 GLU 32 2HB GLU 32 -8.755 -10.048 5.948 191 HG3 GLU 32 2HG GLU 32 -8.055 -11.197 3.853 192 H CYS 33 H CYS 33 -9.972 -6.317 6.576 193 HA CYS 33 HA CYS 33 -11.730 -7.941 8.294 194 HB3 CYS 33 2HB CYS 33 -9.600 -6.997 9.310 195 H GLY 34 H GLY 34 -11.397 -4.999 6.454 196 HA2 GLY 34 1HA GLY 34 -13.653 -4.308 5.532 197 HA3 GLY 34 2HA GLY 34 -14.146 -4.237 7.216 198 H HIS 35 H HIS 35 -11.948 -3.031 8.374 199 HA HIS 35 HA HIS 35 -12.452 -0.343 8.070 200 HB3 HIS 35 2HB HIS 35 -10.167 -0.005 9.123 201 HD2 HIS 35 2HD HIS 35 -12.206 0.827 10.954 202 HE1 HIS 35 1HE HIS 35 -12.381 -2.926 12.922 203 HE2 HIS 35 2HE HIS 35 -13.122 -0.520 12.963 204 H ARG 36 H ARG 36 -10.416 1.211 7.553 205 HA ARG 36 HA ARG 36 -9.209 0.461 5.003 206 HB3 ARG 36 2HB ARG 36 -9.923 2.658 4.013 207 HG3 ARG 36 2HG ARG 36 -11.772 0.429 4.567 208 HD3 ARG 36 2HD ARG 36 -12.962 2.579 2.962 209 HE ARG 36 HE ARG 36 -14.431 1.240 5.063 210 HH11 ARG 36 1HH1 ARG 36 -13.359 1.165 1.753 211 HH12 ARG 36 2HH1 ARG 36 -14.593 0.061 1.240 212 HH21 ARG 36 1HH2 ARG 36 -16.060 -0.213 4.403 213 HH22 ARG 36 2HH2 ARG 36 -16.130 -0.721 2.749 214 H PHE 37 H PHE 37 -7.466 1.866 4.356 215 HA PHE 37 HA PHE 37 -6.514 3.787 6.324 216 HB3 PHE 37 2HB PHE 37 -4.206 2.647 6.198 217 HD1 PHE 37 1HD PHE 37 -6.683 0.087 7.093 218 HD2 PHE 37 2HD PHE 37 -4.285 3.316 8.484 219 HE1 PHE 37 1HE PHE 37 -7.169 -0.558 9.418 220 HE2 PHE 37 2HE PHE 37 -4.766 2.676 10.811 221 HZ PHE 37 HZ PHE 37 -6.209 0.737 11.280 222 H CYS 38 H CYS 38 -4.599 4.990 5.541 223 HA CYS 38 HA CYS 38 -4.897 5.547 2.707 224 HB3 CYS 38 2HB CYS 38 -4.800 7.364 4.437 225 H GLU 39 H GLU 39 -2.885 5.996 1.419 226 HA GLU 39 HA GLU 39 -1.408 3.737 0.988 227 HB3 GLU 39 2HB GLU 39 0.373 5.611 0.176 228 HG3 GLU 39 2HG GLU 39 -2.181 5.379 -1.354 229 H SER 40 H SER 40 -0.141 6.628 2.654 230 HA SER 40 HA SER 40 2.268 5.628 3.496 231 HB3 SER 40 2HB SER 40 0.392 7.646 4.688 232 HG SER 40 HG SER 40 2.734 6.591 5.847 233 H CYS 41 H CYS 41 -0.219 6.057 5.967 234 HA CYS 41 HA CYS 41 0.612 4.412 7.884 235 HB3 CYS 41 2HB CYS 41 -1.795 3.880 8.402 236 H MET 42 H MET 42 -1.313 3.262 5.116 237 HA MET 42 HA MET 42 -1.450 0.583 5.724 238 HB3 MET 42 2HB MET 42 -1.171 1.951 3.049 239 HG3 MET 42 2HG MET 42 -0.634 -0.652 3.258 240 HE1 MET 42 3HE MET 42 -2.309 -1.216 5.569 241 HE2 MET 42 1HE MET 42 -3.368 0.145 5.196 242 HE3 MET 42 2HE MET 42 -4.043 -1.474 5.373 243 H ALA 43 H ALA 43 1.088 2.176 3.791 244 HA ALA 43 HA ALA 43 2.699 -0.094 3.452 245 HB1 ALA 43 3HB ALA 43 3.363 1.521 2.009 246 HB2 ALA 43 1HB ALA 43 3.067 2.826 3.157 247 HB3 ALA 43 2HB ALA 43 4.527 1.846 3.294 248 H ALA 44 H ALA 44 2.290 2.048 6.142 249 HA ALA 44 HA ALA 44 4.749 1.428 7.458 250 HB1 ALA 44 3HB ALA 44 4.146 3.063 8.842 251 HB2 ALA 44 1HB ALA 44 2.735 3.296 7.809 252 HB3 ALA 44 2HB ALA 44 2.623 2.267 9.236 253 H LEU 45 H LEU 45 1.372 0.428 8.017 254 HA LEU 45 HA LEU 45 1.863 -1.352 10.104 255 HB3 LEU 45 2HB LEU 45 -0.283 -2.373 9.521 256 HG LEU 45 HG LEU 45 -0.367 0.627 9.220 257 HD11 LEU 45 1HD1 LEU 45 -2.688 0.549 9.568 258 HD12 LEU 45 2HD1 LEU 45 -2.653 -1.162 9.989 259 HD13 LEU 45 3HD1 LEU 45 -2.365 -0.658 8.323 260 HD21 LEU 45 3HD2 LEU 45 0.337 0.431 11.357 261 HD22 LEU 45 1HD2 LEU 45 -0.211 -1.239 11.500 262 HD23 LEU 45 2HD2 LEU 45 -1.367 0.084 11.655 263 H LEU 46 H LEU 46 1.520 -2.061 6.627 264 HA LEU 46 HA LEU 46 1.974 -4.779 6.683 265 HB3 LEU 46 2HB LEU 46 2.731 -4.576 4.376 266 HG LEU 46 HG LEU 46 0.475 -2.678 5.003 267 HD11 LEU 46 1HD1 LEU 46 1.535 -3.632 2.353 268 HD12 LEU 46 2HD1 LEU 46 1.322 -1.971 2.903 269 HD13 LEU 46 3HD1 LEU 46 -0.088 -2.977 2.573 270 HD21 LEU 46 3HD2 LEU 46 0.635 -5.554 4.136 271 HD22 LEU 46 1HD2 LEU 46 -0.839 -4.594 4.007 272 HD23 LEU 46 2HD2 LEU 46 -0.115 -4.890 5.589 273 H SER 47 H SER 47 4.279 -2.156 6.938 274 HA SER 47 HA SER 47 6.562 -3.930 6.741 275 HB3 SER 47 2HB SER 47 6.725 -1.076 7.661 276 HG SER 47 HG SER 47 8.697 -1.198 6.712 277 H SER 48 H SER 48 4.501 -4.121 8.936 278 HA SER 48 HA SER 48 6.252 -3.693 11.260 279 HB3 SER 48 2HB SER 48 3.285 -4.273 11.302 280 HG SER 48 HG SER 48 4.566 -2.813 13.279 281 H SER 49 H SER 49 5.930 -6.001 9.175 282 HA SER 49 HA SER 49 6.424 -8.231 9.230 283 HB3 SER 49 2HB SER 49 6.281 -8.380 12.209 284 HG SER 49 HG SER 49 7.141 -10.177 11.459 285 H SER 50 H SER 50 4.335 -7.638 12.063 286 HA SER 50 HA SER 50 2.440 -9.599 10.951 287 HB3 SER 50 2HB SER 50 2.851 -10.569 12.968 288 HG SER 50 HG SER 50 3.467 -7.994 13.999 289 HA PRO 51 HA PRO 51 0.407 -5.397 10.857 290 HB3 PRO 51 2HB PRO 51 1.154 -4.953 8.730 291 HG3 PRO 51 2HG PRO 51 1.786 -6.671 7.298 292 HD3 PRO 51 2HD PRO 51 2.992 -7.255 9.174 293 H LYS 52 H LYS 52 -1.541 -5.415 11.768 294 HA LYS 52 HA LYS 52 -3.464 -7.494 10.955 295 HB3 LYS 52 2HB LYS 52 -4.355 -7.511 13.127 296 HG3 LYS 52 2HG LYS 52 -1.458 -7.569 12.968 297 HD3 LYS 52 2HD LYS 52 -2.383 -7.484 15.774 298 HE3 LYS 52 2HE LYS 52 0.010 -7.828 14.605 299 HZ1 LYS 52 3HZ LYS 52 0.029 -5.546 13.732 300 HZ2 LYS 52 1HZ LYS 52 1.297 -5.827 14.817 301 HZ3 LYS 52 2HZ LYS 52 -0.058 -4.944 15.311 302 H CYS 53 H CYS 53 -3.716 -4.332 12.578 303 HA CYS 53 HA CYS 53 -4.752 -2.728 10.695 304 HB3 CYS 53 2HB CYS 53 -6.800 -4.747 11.530 305 H THR 54 H THR 54 -4.078 -1.115 12.019 306 HA THR 54 HA THR 54 -4.172 -0.701 14.644 307 HB THR 54 HB THR 54 -4.137 1.038 12.384 308 HG1 THR 54 1HG THR 54 -3.540 1.978 14.949 309 HG21 THR 54 3HG2 THR 54 -6.348 1.800 12.978 310 HG22 THR 54 1HG2 THR 54 -5.180 3.043 13.427 311 HG23 THR 54 2HG2 THR 54 -5.872 1.993 14.665 312 H ALA 55 H ALA 55 -6.981 -0.465 12.524 313 HA ALA 55 HA ALA 55 -8.832 0.609 14.294 314 HB1 ALA 55 3HB ALA 55 -8.909 -0.352 11.725 315 HB2 ALA 55 1HB ALA 55 -9.947 -1.481 12.596 316 HB3 ALA 55 2HB ALA 55 -10.292 0.247 12.642 317 H CYS 56 H CYS 56 -8.918 -2.832 13.417 318 HA CYS 56 HA CYS 56 -9.575 -3.436 16.225 319 HB3 CYS 56 2HB CYS 56 -11.448 -3.905 14.762 320 H GLN 57 H GLN 57 -7.549 -4.205 13.513 321 HA GLN 57 HA GLN 57 -5.490 -5.238 13.523 322 HB3 GLN 57 2HB GLN 57 -4.492 -6.022 15.484 323 HG3 GLN 57 2HG GLN 57 -6.247 -4.447 17.157 324 HE21 GLN 57 1HE2 GLN 57 -3.580 -3.349 15.150 325 HE22 GLN 57 2HE2 GLN 57 -2.421 -3.239 16.426 326 H GLU 58 H GLU 58 -6.211 -6.576 11.873 327 HA GLU 58 HA GLU 58 -6.943 -9.294 12.730 328 HB3 GLU 58 2HB GLU 58 -8.244 -7.541 10.699 329 HG3 GLU 58 2HG GLU 58 -7.540 -9.361 9.291 330 H SER 59 H SER 59 -6.101 -7.615 9.697 331 HA SER 59 HA SER 59 -3.559 -8.749 9.403 332 HB3 SER 59 2HB SER 59 -5.008 -10.140 7.326 333 HG SER 59 HG SER 59 -2.838 -10.464 8.545 334 H ILE 60 H ILE 60 -2.516 -7.531 7.967 335 HA ILE 60 HA ILE 60 -4.081 -6.223 5.840 336 HB ILE 60 HB ILE 60 -1.656 -4.855 6.876 337 HG13 ILE 60 2HG1 ILE 60 -2.977 -5.588 8.898 338 HG21 ILE 60 1HG2 ILE 60 -3.761 -4.287 5.111 339 HG22 ILE 60 2HG2 ILE 60 -3.990 -3.229 6.502 340 HG23 ILE 60 3HG2 ILE 60 -2.462 -3.210 5.622 341 HD11 ILE 60 3HD1 ILE 60 -3.413 -2.705 8.967 342 HD12 ILE 60 1HD1 ILE 60 -2.437 -3.736 10.013 343 HD13 ILE 60 2HD1 ILE 60 -1.788 -3.177 8.471 344 H VAL 61 H VAL 61 -3.451 -6.890 3.907 345 HA VAL 61 HA VAL 61 -0.592 -7.220 3.367 346 HB VAL 61 HB VAL 61 -2.691 -9.290 2.713 347 HG11 VAL 61 1HG1 VAL 61 -0.075 -8.706 1.507 348 HG12 VAL 61 2HG1 VAL 61 -0.341 -10.395 1.947 349 HG13 VAL 61 3HG1 VAL 61 -1.459 -9.579 0.852 350 HG21 VAL 61 3HG2 VAL 61 -2.052 -9.819 4.849 351 HG22 VAL 61 1HG2 VAL 61 -0.821 -10.688 3.933 352 HG23 VAL 61 2HG2 VAL 61 -0.442 -9.125 4.657 353 H LYS 62 H LYS 62 -0.027 -6.194 1.567 354 HA LYS 62 HA LYS 62 -1.658 -4.630 0.028 355 HB3 LYS 62 2HB LYS 62 0.733 -4.395 -0.084 356 HG3 LYS 62 2HG LYS 62 1.028 -6.837 -1.770 357 HD3 LYS 62 2HD LYS 62 2.735 -4.869 -1.352 358 HE3 LYS 62 2HE LYS 62 2.451 -5.754 1.236 359 HZ1 LYS 62 3HZ LYS 62 5.185 -6.519 0.754 360 HZ2 LYS 62 1HZ LYS 62 4.056 -7.628 0.154 361 HZ3 LYS 62 2HZ LYS 62 4.037 -7.204 1.791 362 H ASP 63 H ASP 63 -0.572 -7.926 -0.772 363 HA ASP 63 HA ASP 63 -1.886 -8.214 -3.197 364 HB3 ASP 63 2HB ASP 63 -1.636 -10.580 -2.920 365 H LYS 64 H LYS 64 -3.090 -8.757 0.082 366 HA LYS 64 HA LYS 64 -5.707 -9.536 -0.902 367 HB3 LYS 64 2HB LYS 64 -6.248 -10.065 1.329 368 HG3 LYS 64 2HG LYS 64 -4.233 -11.193 2.306 369 HD3 LYS 64 2HD LYS 64 -4.827 -11.679 -0.614 370 HE3 LYS 64 2HE LYS 64 -4.265 -14.101 0.421 371 HZ1 LYS 64 3HZ LYS 64 -1.828 -13.391 -0.398 372 HZ2 LYS 64 1HZ LYS 64 -2.748 -12.157 -1.100 373 HZ3 LYS 64 2HZ LYS 64 -3.096 -13.775 -1.451 374 H VAL 65 H VAL 65 -4.170 -6.670 -0.572 375 HA VAL 65 HA VAL 65 -6.543 -5.206 0.350 376 HB VAL 65 HB VAL 65 -3.731 -4.778 0.675 377 HG11 VAL 65 1HG1 VAL 65 -5.192 -2.469 -0.603 378 HG12 VAL 65 2HG1 VAL 65 -3.558 -2.433 0.063 379 HG13 VAL 65 3HG1 VAL 65 -3.910 -3.413 -1.360 380 HG21 VAL 65 3HG2 VAL 65 -4.882 -2.746 1.997 381 HG22 VAL 65 1HG2 VAL 65 -6.291 -3.780 1.760 382 HG23 VAL 65 2HG2 VAL 65 -4.869 -4.404 2.596 383 H PHE 66 H PHE 66 -7.491 -3.591 -0.889 384 HA PHE 66 HA PHE 66 -7.039 -3.853 -3.761 385 HB3 PHE 66 2HB PHE 66 -9.178 -2.169 -3.513 386 HD1 PHE 66 1HD PHE 66 -7.995 -5.619 -3.425 387 HD2 PHE 66 2HD PHE 66 -11.246 -3.054 -4.408 388 HE1 PHE 66 1HE PHE 66 -9.037 -7.439 -4.711 389 HE2 PHE 66 2HE PHE 66 -12.295 -4.871 -5.694 390 HZ PHE 66 HZ PHE 66 -11.191 -7.067 -5.846 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -35.369 14.993 -28.671 2 HA2 GLY 1 1HA GLY 1 -37.489 13.818 -27.026 3 HA3 GLY 1 2HA GLY 1 -35.812 13.297 -27.077 4 H SER 2 H SER 2 -34.741 13.693 -25.271 5 HA SER 2 HA SER 2 -35.415 16.125 -23.747 6 HB3 SER 2 2HB SER 2 -34.915 14.890 -21.680 7 HG SER 2 HG SER 2 -37.038 14.646 -23.072 8 H SER 3 H SER 3 -33.625 16.833 -22.279 9 HA SER 3 HA SER 3 -30.975 16.212 -23.396 10 HB3 SER 3 2HB SER 3 -30.712 18.303 -24.153 11 HG SER 3 HG SER 3 -32.590 19.017 -24.728 12 H GLY 4 H GLY 4 -30.518 14.909 -21.600 13 HA2 GLY 4 1HA GLY 4 -29.037 15.171 -19.653 14 HA3 GLY 4 2HA GLY 4 -30.136 16.421 -19.089 15 H SER 5 H SER 5 -30.328 15.277 -17.100 16 HA SER 5 HA SER 5 -31.925 12.809 -17.277 17 HB3 SER 5 2HB SER 5 -30.964 12.047 -15.304 18 HG SER 5 HG SER 5 -28.660 12.859 -15.406 19 H SER 6 H SER 6 -32.976 12.704 -14.767 20 HA SER 6 HA SER 6 -34.754 15.054 -14.729 21 HB3 SER 6 2HB SER 6 -35.275 12.158 -14.044 22 HG SER 6 HG SER 6 -37.482 13.136 -13.672 23 H GLY 7 H GLY 7 -35.871 15.248 -12.474 24 HA2 GLY 7 1HA GLY 7 -35.626 15.833 -10.268 25 HA3 GLY 7 2HA GLY 7 -34.582 14.425 -10.132 26 H PHE 8 H PHE 8 -33.720 16.141 -8.510 27 HA PHE 8 HA PHE 8 -31.583 17.637 -9.878 28 HB3 PHE 8 2HB PHE 8 -31.696 19.166 -7.811 29 HD1 PHE 8 1HD PHE 8 -31.325 20.366 -9.998 30 HD2 PHE 8 2HD PHE 8 -35.176 19.149 -8.653 31 HE1 PHE 8 1HE PHE 8 -32.370 21.961 -11.553 32 HE2 PHE 8 2HE PHE 8 -36.226 20.741 -10.207 33 HZ PHE 8 HZ PHE 8 -34.822 22.150 -11.660 34 H VAL 9 H VAL 9 -30.375 15.622 -9.605 35 HA VAL 9 HA VAL 9 -29.049 15.571 -6.995 36 HB VAL 9 HB VAL 9 -30.833 13.734 -7.188 37 HG11 VAL 9 1HG1 VAL 9 -30.190 11.734 -8.407 38 HG12 VAL 9 2HG1 VAL 9 -30.319 13.107 -9.509 39 HG13 VAL 9 3HG1 VAL 9 -28.731 12.536 -8.991 40 HG21 VAL 9 3HG2 VAL 9 -29.321 12.061 -6.129 41 HG22 VAL 9 1HG2 VAL 9 -27.953 13.081 -6.580 42 HG23 VAL 9 2HG2 VAL 9 -29.172 13.686 -5.457 43 H LYS 10 H LYS 10 -26.902 15.514 -7.173 44 HA LYS 10 HA LYS 10 -25.724 14.547 -9.691 45 HB3 LYS 10 2HB LYS 10 -24.017 16.351 -9.480 46 HG3 LYS 10 2HG LYS 10 -26.677 17.710 -9.497 47 HD3 LYS 10 2HD LYS 10 -24.223 18.644 -10.041 48 HE3 LYS 10 2HE LYS 10 -24.221 16.877 -11.970 49 HZ1 LYS 10 3HZ LYS 10 -26.307 18.599 -12.783 50 HZ2 LYS 10 1HZ LYS 10 -25.731 17.198 -13.538 51 HZ3 LYS 10 2HZ LYS 10 -25.033 18.697 -13.893 52 H THR 11 H THR 11 -25.359 15.075 -6.237 53 HA THR 11 HA THR 11 -23.344 12.940 -6.186 54 HB THR 11 HB THR 11 -21.727 14.299 -5.486 55 HG1 THR 11 1HG THR 11 -22.407 15.603 -3.423 56 HG21 THR 11 3HG2 THR 11 -22.809 16.066 -6.785 57 HG22 THR 11 1HG2 THR 11 -22.044 16.727 -5.340 58 HG23 THR 11 2HG2 THR 11 -23.793 16.501 -5.388 59 H VAL 12 H VAL 12 -22.913 12.405 -3.718 60 HA VAL 12 HA VAL 12 -25.363 12.561 -2.143 61 HB VAL 12 HB VAL 12 -25.329 10.448 -3.648 62 HG11 VAL 12 1HG1 VAL 12 -23.919 8.730 -3.178 63 HG12 VAL 12 2HG1 VAL 12 -22.872 10.063 -2.687 64 HG13 VAL 12 3HG1 VAL 12 -23.782 9.162 -1.474 65 HG21 VAL 12 3HG2 VAL 12 -26.493 9.185 -1.959 66 HG22 VAL 12 1HG2 VAL 12 -25.725 10.120 -0.677 67 HG23 VAL 12 2HG2 VAL 12 -26.880 10.894 -1.763 68 H GLU 13 H GLU 13 -22.666 13.642 -1.889 69 HA GLU 13 HA GLU 13 -20.823 13.618 -0.482 70 HB3 GLU 13 2HB GLU 13 -21.465 14.386 1.611 71 HG3 GLU 13 2HG GLU 13 -23.857 15.316 1.412 72 H ASP 14 H ASP 14 -19.775 11.669 -0.906 73 HA ASP 14 HA ASP 14 -19.893 9.756 1.276 74 HB3 ASP 14 2HB ASP 14 -19.705 8.105 -0.982 75 H LYS 15 H LYS 15 -17.897 9.227 1.869 76 HA LYS 15 HA LYS 15 -15.787 8.834 -0.048 77 HB3 LYS 15 2HB LYS 15 -15.391 11.118 -0.003 78 HG3 LYS 15 2HG LYS 15 -17.081 11.515 1.879 79 HD3 LYS 15 2HD LYS 15 -14.530 11.146 3.434 80 HE3 LYS 15 2HE LYS 15 -15.487 13.311 4.043 81 HZ1 LYS 15 3HZ LYS 15 -17.876 12.340 3.456 82 HZ2 LYS 15 1HZ LYS 15 -17.655 13.655 4.498 83 HZ3 LYS 15 2HZ LYS 15 -17.903 12.106 5.131 84 H TYR 16 H TYR 16 -13.649 8.414 1.180 85 HA TYR 16 HA TYR 16 -14.299 6.862 3.598 86 HB3 TYR 16 2HB TYR 16 -12.563 5.315 3.004 87 HD1 TYR 16 1HD TYR 16 -13.337 6.631 -0.355 88 HD2 TYR 16 2HD TYR 16 -14.389 3.818 2.658 89 HE1 TYR 16 1HE TYR 16 -14.792 5.465 -1.959 90 HE2 TYR 16 2HE TYR 16 -15.846 2.644 1.064 91 HH TYR 16 HH TYR 16 -16.178 3.768 -2.293 92 H LYS 17 H LYS 17 -12.316 6.495 5.021 93 HA LYS 17 HA LYS 17 -10.408 8.682 5.033 94 HB3 LYS 17 2HB LYS 17 -12.604 8.384 7.041 95 HG3 LYS 17 2HG LYS 17 -10.866 10.188 8.193 96 HD3 LYS 17 2HD LYS 17 -10.485 8.016 9.732 97 HE3 LYS 17 2HE LYS 17 -12.450 10.114 9.534 98 HZ1 LYS 17 3HZ LYS 17 -13.728 7.777 9.573 99 HZ2 LYS 17 1HZ LYS 17 -14.317 9.177 10.320 100 HZ3 LYS 17 2HZ LYS 17 -13.499 8.012 11.232 101 H CYS 18 H CYS 18 -8.518 8.183 6.064 102 HA CYS 18 HA CYS 18 -7.920 5.466 6.506 103 HB3 CYS 18 2HB CYS 18 -6.421 7.985 7.242 104 H GLU 19 H GLU 19 -7.734 4.248 8.331 105 HA GLU 19 HA GLU 19 -9.129 5.216 10.675 106 HB3 GLU 19 2HB GLU 19 -8.311 2.742 11.386 107 HG3 GLU 19 2HG GLU 19 -10.400 1.895 10.774 108 H LYS 20 H LYS 20 -6.434 6.261 9.917 109 HA LYS 20 HA LYS 20 -5.126 5.754 12.501 110 HB3 LYS 20 2HB LYS 20 -3.182 6.443 10.501 111 HG3 LYS 20 2HG LYS 20 -3.630 4.135 12.344 112 HD3 LYS 20 2HD LYS 20 -1.308 4.336 10.436 113 HE3 LYS 20 2HE LYS 20 -0.741 2.161 11.198 114 HZ1 LYS 20 3HZ LYS 20 -1.456 3.050 13.829 115 HZ2 LYS 20 1HZ LYS 20 -0.746 4.274 12.902 116 HZ3 LYS 20 2HZ LYS 20 0.074 2.815 13.149 117 H CYS 21 H CYS 21 -4.732 7.880 9.661 118 HA CYS 21 HA CYS 21 -4.362 10.143 11.485 119 HB3 CYS 21 2HB CYS 21 -2.592 9.981 9.899 120 H HIS 22 H HIS 22 -6.869 8.694 10.055 121 HA HIS 22 HA HIS 22 -8.981 9.308 9.473 122 HB3 HIS 22 2HB HIS 22 -9.853 10.702 10.994 123 HD2 HIS 22 2HD HIS 22 -7.681 9.002 12.525 124 HE1 HIS 22 1HE HIS 22 -6.345 12.649 14.232 125 HE2 HIS 22 2HE HIS 22 -6.250 10.135 14.357 126 H LEU 23 H LEU 23 -6.714 9.856 7.662 127 HA LEU 23 HA LEU 23 -7.226 12.308 6.298 128 HB3 LEU 23 2HB LEU 23 -5.987 10.689 4.463 129 HG LEU 23 HG LEU 23 -4.814 12.444 6.588 130 HD11 LEU 23 1HD1 LEU 23 -2.840 11.758 4.664 131 HD12 LEU 23 2HD1 LEU 23 -3.457 10.270 5.382 132 HD13 LEU 23 3HD1 LEU 23 -2.801 11.541 6.415 133 HD21 LEU 23 3HD2 LEU 23 -5.516 12.621 3.739 134 HD22 LEU 23 1HD2 LEU 23 -3.968 13.342 4.180 135 HD23 LEU 23 2HD2 LEU 23 -5.447 13.878 4.975 136 H VAL 24 H VAL 24 -8.922 12.744 5.069 137 HA VAL 24 HA VAL 24 -10.781 10.761 4.238 138 HB VAL 24 HB VAL 24 -10.502 13.693 3.628 139 HG11 VAL 24 1HG1 VAL 24 -11.482 13.085 1.645 140 HG12 VAL 24 2HG1 VAL 24 -12.277 11.672 2.343 141 HG13 VAL 24 3HG1 VAL 24 -12.909 13.289 2.660 142 HG21 VAL 24 3HG2 VAL 24 -11.495 13.696 5.648 143 HG22 VAL 24 1HG2 VAL 24 -12.950 13.301 4.732 144 HG23 VAL 24 2HG2 VAL 24 -12.019 12.018 5.507 145 H LEU 25 H LEU 25 -10.459 9.375 2.634 146 HA LEU 25 HA LEU 25 -9.071 10.325 0.215 147 HB3 LEU 25 2HB LEU 25 -7.599 8.686 0.415 148 HG LEU 25 HG LEU 25 -9.049 8.141 2.952 149 HD11 LEU 25 1HD1 LEU 25 -8.431 6.018 3.197 150 HD12 LEU 25 2HD1 LEU 25 -6.815 6.334 2.566 151 HD13 LEU 25 3HD1 LEU 25 -8.144 6.001 1.457 152 HD21 LEU 25 3HD2 LEU 25 -7.325 9.809 2.954 153 HD22 LEU 25 1HD2 LEU 25 -6.189 8.702 2.181 154 HD23 LEU 25 2HD2 LEU 25 -6.735 8.395 3.831 155 H CYS 26 H CYS 26 -9.592 8.889 -1.723 156 HA CYS 26 HA CYS 26 -12.498 8.470 -1.775 157 HB3 CYS 26 2HB CYS 26 -11.779 8.388 -4.384 158 H SER 27 H SER 27 -9.421 6.924 -2.394 159 HA SER 27 HA SER 27 -10.836 4.364 -2.694 160 HB3 SER 27 2HB SER 27 -8.685 5.515 -4.443 161 HG SER 27 HG SER 27 -8.990 2.975 -5.050 162 HA PRO 28 HA PRO 28 -7.725 4.147 0.719 163 HB3 PRO 28 2HB PRO 28 -9.365 4.500 2.288 164 HG3 PRO 28 2HG PRO 28 -11.594 4.028 1.822 165 HD3 PRO 28 2HD PRO 28 -11.058 5.285 -0.034 166 H LYS 29 H LYS 29 -7.659 1.860 2.197 167 HA LYS 29 HA LYS 29 -7.438 -0.295 0.201 168 HB3 LYS 29 2HB LYS 29 -5.350 -0.970 1.046 169 HG3 LYS 29 2HG LYS 29 -3.886 0.956 1.027 170 HD3 LYS 29 2HD LYS 29 -5.954 1.857 -0.888 171 HE3 LYS 29 2HE LYS 29 -3.243 0.773 -1.534 172 HZ1 LYS 29 3HZ LYS 29 -4.720 1.525 -3.315 173 HZ2 LYS 29 1HZ LYS 29 -3.325 2.477 -3.217 174 HZ3 LYS 29 2HZ LYS 29 -4.793 3.064 -2.616 175 H GLN 30 H GLN 30 -9.727 -0.334 1.402 176 HA GLN 30 HA GLN 30 -10.213 -1.188 3.907 177 HB3 GLN 30 2HB GLN 30 -11.492 -2.808 1.760 178 HG3 GLN 30 2HG GLN 30 -12.658 -1.128 3.968 179 HE21 GLN 30 1HE2 GLN 30 -14.869 -1.595 4.395 180 HE22 GLN 30 2HE2 GLN 30 -15.911 -2.142 3.131 181 H THR 31 H THR 31 -9.027 -2.532 5.100 182 HA THR 31 HA THR 31 -7.488 -4.667 4.108 183 HB THR 31 HB THR 31 -7.052 -5.270 6.374 184 HG1 THR 31 1HG THR 31 -8.983 -3.547 7.440 185 HG21 THR 31 3HG2 THR 31 -7.535 -2.302 6.501 186 HG22 THR 31 1HG2 THR 31 -6.247 -3.008 5.527 187 HG23 THR 31 2HG2 THR 31 -6.257 -3.237 7.276 188 H GLU 32 H GLU 32 -8.010 -6.807 5.803 189 HA GLU 32 HA GLU 32 -10.321 -7.967 4.466 190 HB3 GLU 32 2HB GLU 32 -8.803 -9.635 6.358 191 HG3 GLU 32 2HG GLU 32 -8.927 -10.194 3.454 192 H CYS 33 H CYS 33 -10.237 -6.061 6.928 193 HA CYS 33 HA CYS 33 -12.018 -7.684 8.625 194 HB3 CYS 33 2HB CYS 33 -9.846 -6.866 9.661 195 H GLY 34 H GLY 34 -11.560 -4.671 6.920 196 HA2 GLY 34 1HA GLY 34 -13.845 -3.904 6.051 197 HA3 GLY 34 2HA GLY 34 -14.246 -3.791 7.759 198 H HIS 35 H HIS 35 -12.039 -2.657 8.854 199 HA HIS 35 HA HIS 35 -12.378 0.043 8.458 200 HB3 HIS 35 2HB HIS 35 -10.146 0.315 9.564 201 HD2 HIS 35 2HD HIS 35 -12.238 1.090 11.378 202 HE1 HIS 35 1HE HIS 35 -12.332 -2.684 13.314 203 HE2 HIS 35 2HE HIS 35 -13.136 -0.297 13.368 204 H ARG 36 H ARG 36 -10.626 1.611 7.725 205 HA ARG 36 HA ARG 36 -9.283 0.661 5.291 206 HB3 ARG 36 2HB ARG 36 -9.954 2.933 4.280 207 HG3 ARG 36 2HG ARG 36 -11.617 0.525 4.542 208 HD3 ARG 36 2HD ARG 36 -13.056 2.349 2.905 209 HE ARG 36 HE ARG 36 -13.771 0.323 4.485 210 HH11 ARG 36 1HH1 ARG 36 -14.666 3.687 4.534 211 HH12 ARG 36 2HH1 ARG 36 -16.239 3.393 5.200 212 HH21 ARG 36 1HH2 ARG 36 -15.838 -0.077 5.363 213 HH22 ARG 36 2HH2 ARG 36 -16.904 1.253 5.671 214 H PHE 37 H PHE 37 -7.536 2.040 4.567 215 HA PHE 37 HA PHE 37 -6.559 4.003 6.493 216 HB3 PHE 37 2HB PHE 37 -4.244 2.875 6.280 217 HD1 PHE 37 1HD PHE 37 -6.731 0.356 7.292 218 HD2 PHE 37 2HD PHE 37 -4.183 3.521 8.560 219 HE1 PHE 37 1HE PHE 37 -7.124 -0.272 9.639 220 HE2 PHE 37 2HE PHE 37 -4.571 2.898 10.908 221 HZ PHE 37 HZ PHE 37 -6.042 0.999 11.451 222 H CYS 38 H CYS 38 -4.431 4.988 5.623 223 HA CYS 38 HA CYS 38 -4.895 5.625 2.804 224 HB3 CYS 38 2HB CYS 38 -4.769 7.464 4.492 225 H GLU 39 H GLU 39 -2.860 6.121 1.514 226 HA GLU 39 HA GLU 39 -1.417 3.853 1.015 227 HB3 GLU 39 2HB GLU 39 0.387 5.775 0.292 228 HG3 GLU 39 2HG GLU 39 -2.088 5.524 -1.346 229 H SER 40 H SER 40 -0.078 6.682 2.733 230 HA SER 40 HA SER 40 2.302 5.595 3.556 231 HB3 SER 40 2HB SER 40 1.738 7.138 5.705 232 HG SER 40 HG SER 40 2.516 7.774 3.084 233 H CYS 41 H CYS 41 -0.142 6.090 6.053 234 HA CYS 41 HA CYS 41 0.645 4.379 7.935 235 HB3 CYS 41 2HB CYS 41 -1.753 3.980 8.521 236 H MET 42 H MET 42 -1.329 3.374 5.149 237 HA MET 42 HA MET 42 -1.601 0.691 5.730 238 HB3 MET 42 2HB MET 42 -1.286 2.079 3.069 239 HG3 MET 42 2HG MET 42 -0.898 -0.554 3.249 240 HE1 MET 42 3HE MET 42 -2.576 -1.065 5.568 241 HE2 MET 42 1HE MET 42 -3.541 0.373 5.233 242 HE3 MET 42 2HE MET 42 -4.327 -1.198 5.392 243 H ALA 43 H ALA 43 0.998 2.217 3.828 244 HA ALA 43 HA ALA 43 2.494 -0.156 3.476 245 HB1 ALA 43 3HB ALA 43 3.054 1.460 1.941 246 HB2 ALA 43 1HB ALA 43 3.055 2.754 3.141 247 HB3 ALA 43 2HB ALA 43 4.389 1.602 3.084 248 H ALA 44 H ALA 44 2.178 2.031 6.115 249 HA ALA 44 HA ALA 44 4.681 1.435 7.373 250 HB1 ALA 44 3HB ALA 44 3.179 2.373 9.401 251 HB2 ALA 44 1HB ALA 44 3.986 3.405 8.221 252 HB3 ALA 44 2HB ALA 44 2.278 3.011 8.025 253 H LEU 45 H LEU 45 1.327 0.372 7.868 254 HA LEU 45 HA LEU 45 1.866 -1.339 10.045 255 HB3 LEU 45 2HB LEU 45 -0.318 -2.345 9.534 256 HG LEU 45 HG LEU 45 -0.361 0.662 9.292 257 HD11 LEU 45 1HD1 LEU 45 -2.418 -0.493 8.433 258 HD12 LEU 45 2HD1 LEU 45 -2.680 0.591 9.798 259 HD13 LEU 45 3HD1 LEU 45 -2.638 -1.154 10.054 260 HD21 LEU 45 3HD2 LEU 45 -0.048 -1.225 11.506 261 HD22 LEU 45 1HD2 LEU 45 -1.310 -0.019 11.758 262 HD23 LEU 45 2HD2 LEU 45 0.342 0.492 11.411 263 H LEU 46 H LEU 46 1.694 -1.917 6.554 264 HA LEU 46 HA LEU 46 1.960 -4.690 6.571 265 HB3 LEU 46 2HB LEU 46 2.856 -4.438 4.288 266 HG LEU 46 HG LEU 46 0.488 -2.688 4.913 267 HD11 LEU 46 1HD1 LEU 46 0.177 -3.127 2.317 268 HD12 LEU 46 2HD1 LEU 46 1.939 -3.113 2.363 269 HD13 LEU 46 3HD1 LEU 46 1.032 -1.713 2.934 270 HD21 LEU 46 3HD2 LEU 46 -0.600 -4.619 4.944 271 HD22 LEU 46 1HD2 LEU 46 0.896 -5.491 4.614 272 HD23 LEU 46 2HD2 LEU 46 -0.102 -4.919 3.278 273 H SER 47 H SER 47 4.278 -2.215 7.221 274 HA SER 47 HA SER 47 6.515 -4.085 6.988 275 HB3 SER 47 2HB SER 47 7.042 -1.345 7.956 276 HG SER 47 HG SER 47 8.614 -2.931 7.183 277 H SER 48 H SER 48 4.470 -4.358 9.066 278 HA SER 48 HA SER 48 6.071 -3.814 11.473 279 HB3 SER 48 2HB SER 48 3.127 -4.499 11.347 280 HG SER 48 HG SER 48 3.153 -4.127 13.448 281 H SER 49 H SER 49 6.330 -6.076 9.531 282 HA SER 49 HA SER 49 6.517 -8.356 9.494 283 HB3 SER 49 2HB SER 49 7.220 -7.822 12.392 284 HG SER 49 HG SER 49 7.657 -10.041 10.692 285 H SER 50 H SER 50 3.874 -7.169 10.367 286 HA SER 50 HA SER 50 2.345 -9.414 10.575 287 HB3 SER 50 2HB SER 50 3.353 -8.519 13.262 288 HG SER 50 HG SER 50 1.603 -9.467 14.228 289 HA PRO 51 HA PRO 51 0.292 -5.210 10.441 290 HB3 PRO 51 2HB PRO 51 0.889 -4.836 8.254 291 HG3 PRO 51 2HG PRO 51 1.439 -6.601 6.842 292 HD3 PRO 51 2HD PRO 51 2.774 -7.109 8.651 293 H LYS 52 H LYS 52 -1.585 -5.217 11.491 294 HA LYS 52 HA LYS 52 -3.557 -7.309 10.847 295 HB3 LYS 52 2HB LYS 52 -4.221 -7.404 13.074 296 HG3 LYS 52 2HG LYS 52 -1.407 -7.427 12.661 297 HD3 LYS 52 2HD LYS 52 -2.303 -6.332 15.327 298 HE3 LYS 52 2HE LYS 52 0.553 -6.808 14.766 299 HZ1 LYS 52 3HZ LYS 52 -0.851 -7.657 17.193 300 HZ2 LYS 52 1HZ LYS 52 -0.685 -5.999 16.907 301 HZ3 LYS 52 2HZ LYS 52 0.688 -6.978 17.020 302 H CYS 53 H CYS 53 -3.666 -4.154 12.501 303 HA CYS 53 HA CYS 53 -4.849 -2.537 10.724 304 HB3 CYS 53 2HB CYS 53 -6.823 -4.568 11.691 305 H THR 54 H THR 54 -4.053 -0.948 12.017 306 HA THR 54 HA THR 54 -3.945 -0.551 14.638 307 HB THR 54 HB THR 54 -4.097 1.209 12.401 308 HG1 THR 54 1HG THR 54 -3.180 2.494 14.497 309 HG21 THR 54 3HG2 THR 54 -5.625 2.148 14.830 310 HG22 THR 54 1HG2 THR 54 -6.255 1.956 13.195 311 HG23 THR 54 2HG2 THR 54 -5.053 3.201 13.535 312 H ALA 55 H ALA 55 -6.912 -0.079 12.750 313 HA ALA 55 HA ALA 55 -8.603 0.899 14.684 314 HB1 ALA 55 3HB ALA 55 -8.879 -0.162 12.111 315 HB2 ALA 55 1HB ALA 55 -9.990 -1.079 13.129 316 HB3 ALA 55 2HB ALA 55 -10.103 0.679 13.062 317 H CYS 56 H CYS 56 -8.911 -2.504 13.744 318 HA CYS 56 HA CYS 56 -9.292 -3.164 16.590 319 HB3 CYS 56 2HB CYS 56 -11.302 -3.519 15.245 320 H GLN 57 H GLN 57 -7.594 -3.963 13.657 321 HA GLN 57 HA GLN 57 -5.577 -5.055 13.440 322 HB3 GLN 57 2HB GLN 57 -4.400 -5.893 15.274 323 HG3 GLN 57 2HG GLN 57 -5.665 -4.379 17.266 324 HE21 GLN 57 1HE2 GLN 57 -4.046 -2.868 14.559 325 HE22 GLN 57 2HE2 GLN 57 -2.513 -2.677 15.333 326 H GLU 58 H GLU 58 -6.272 -6.436 11.880 327 HA GLU 58 HA GLU 58 -7.114 -9.099 12.789 328 HB3 GLU 58 2HB GLU 58 -8.334 -8.677 10.285 329 HG3 GLU 58 2HG GLU 58 -10.377 -8.384 12.079 330 H SER 59 H SER 59 -6.228 -7.322 9.823 331 HA SER 59 HA SER 59 -3.822 -8.577 9.327 332 HB3 SER 59 2HB SER 59 -5.470 -9.942 7.366 333 HG SER 59 HG SER 59 -4.247 -11.740 8.518 334 H ILE 60 H ILE 60 -2.840 -7.388 7.826 335 HA ILE 60 HA ILE 60 -4.495 -6.084 5.766 336 HB ILE 60 HB ILE 60 -2.038 -4.689 6.663 337 HG13 ILE 60 2HG1 ILE 60 -3.208 -5.434 8.770 338 HG21 ILE 60 1HG2 ILE 60 -4.220 -4.150 5.015 339 HG22 ILE 60 2HG2 ILE 60 -4.447 -3.126 6.432 340 HG23 ILE 60 3HG2 ILE 60 -2.951 -3.028 5.503 341 HD11 ILE 60 3HD1 ILE 60 -2.642 -3.566 9.850 342 HD12 ILE 60 1HD1 ILE 60 -2.073 -3.021 8.274 343 HD13 ILE 60 2HD1 ILE 60 -3.674 -2.550 8.845 344 H VAL 61 H VAL 61 -3.926 -6.705 3.799 345 HA VAL 61 HA VAL 61 -1.088 -7.092 3.178 346 HB VAL 61 HB VAL 61 -3.258 -9.090 2.527 347 HG11 VAL 61 1HG1 VAL 61 -0.887 -10.207 1.738 348 HG12 VAL 61 2HG1 VAL 61 -2.069 -9.456 0.665 349 HG13 VAL 61 3HG1 VAL 61 -0.691 -8.524 1.251 350 HG21 VAL 61 3HG2 VAL 61 -1.308 -10.516 3.687 351 HG22 VAL 61 1HG2 VAL 61 -1.064 -8.972 4.504 352 HG23 VAL 61 2HG2 VAL 61 -2.630 -9.779 4.592 353 H LYS 62 H LYS 62 -0.571 -5.941 1.448 354 HA LYS 62 HA LYS 62 -2.213 -4.356 -0.039 355 HB3 LYS 62 2HB LYS 62 0.160 -4.090 -0.197 356 HG3 LYS 62 2HG LYS 62 0.546 -6.484 -1.908 357 HD3 LYS 62 2HD LYS 62 2.432 -5.510 0.180 358 HE3 LYS 62 2HE LYS 62 4.090 -6.212 -1.342 359 HZ1 LYS 62 3HZ LYS 62 3.200 -8.466 -2.114 360 HZ2 LYS 62 1HZ LYS 62 1.773 -8.040 -1.309 361 HZ3 LYS 62 2HZ LYS 62 3.226 -8.154 -0.451 362 H ASP 63 H ASP 63 -1.228 -7.673 -0.843 363 HA ASP 63 HA ASP 63 -2.586 -7.859 -3.290 364 HB3 ASP 63 2HB ASP 63 -1.802 -9.978 -1.284 365 H LYS 64 H LYS 64 -3.626 -8.584 0.012 366 HA LYS 64 HA LYS 64 -6.264 -9.384 -0.885 367 HB3 LYS 64 2HB LYS 64 -6.703 -9.972 1.370 368 HG3 LYS 64 2HG LYS 64 -4.535 -11.081 2.171 369 HD3 LYS 64 2HD LYS 64 -5.893 -11.628 -0.447 370 HE3 LYS 64 2HE LYS 64 -4.252 -13.774 0.717 371 HZ1 LYS 64 3HZ LYS 64 -5.453 -14.139 -1.304 372 HZ2 LYS 64 1HZ LYS 64 -3.799 -14.147 -1.664 373 HZ3 LYS 64 2HZ LYS 64 -4.739 -12.794 -2.042 374 H VAL 65 H VAL 65 -4.743 -6.493 -0.364 375 HA VAL 65 HA VAL 65 -6.953 -5.087 0.863 376 HB VAL 65 HB VAL 65 -4.180 -4.508 0.281 377 HG11 VAL 65 1HG1 VAL 65 -6.159 -2.326 -0.368 378 HG12 VAL 65 2HG1 VAL 65 -4.407 -2.146 -0.267 379 HG13 VAL 65 3HG1 VAL 65 -5.121 -3.149 -1.530 380 HG21 VAL 65 3HG2 VAL 65 -5.777 -4.388 2.429 381 HG22 VAL 65 1HG2 VAL 65 -4.281 -3.462 2.288 382 HG23 VAL 65 2HG2 VAL 65 -5.830 -2.695 1.936 383 H PHE 66 H PHE 66 -8.348 -3.667 -0.127 384 HA PHE 66 HA PHE 66 -8.227 -3.498 -3.060 385 HB3 PHE 66 2HB PHE 66 -10.740 -3.677 -3.063 386 HD1 PHE 66 1HD PHE 66 -9.679 -6.294 -0.726 387 HD2 PHE 66 2HD PHE 66 -10.106 -5.186 -4.814 388 HE1 PHE 66 1HE PHE 66 -9.338 -8.639 -1.394 389 HE2 PHE 66 2HE PHE 66 -9.766 -7.528 -5.488 390 HZ PHE 66 HZ PHE 66 -9.382 -9.258 -3.777 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -48.264 19.127 -15.103 2 HA2 GLY 1 1HA GLY 1 -46.488 19.672 -13.749 3 HA3 GLY 1 2HA GLY 1 -47.483 20.959 -13.083 4 H SER 2 H SER 2 -48.561 17.655 -12.982 5 HA SER 2 HA SER 2 -48.553 17.756 -10.080 6 HB3 SER 2 2HB SER 2 -50.577 16.899 -10.870 7 HG SER 2 HG SER 2 -50.592 15.203 -12.488 8 H SER 3 H SER 3 -45.997 17.593 -11.375 9 HA SER 3 HA SER 3 -44.980 14.954 -11.359 10 HB3 SER 3 2HB SER 3 -43.004 16.997 -10.702 11 HG SER 3 HG SER 3 -43.037 16.008 -13.238 12 H GLY 4 H GLY 4 -43.095 14.355 -9.852 13 HA2 GLY 4 1HA GLY 4 -43.966 13.746 -7.353 14 HA3 GLY 4 2HA GLY 4 -42.265 13.975 -7.730 15 H SER 5 H SER 5 -43.840 14.586 -5.288 16 HA SER 5 HA SER 5 -43.659 17.502 -5.175 17 HB3 SER 5 2HB SER 5 -45.698 16.563 -4.265 18 HG SER 5 HG SER 5 -44.023 14.698 -3.286 19 H SER 6 H SER 6 -41.200 16.517 -5.473 20 HA SER 6 HA SER 6 -40.031 16.521 -2.768 21 HB3 SER 6 2HB SER 6 -39.698 14.520 -4.443 22 HG SER 6 HG SER 6 -38.922 15.781 -6.172 23 H GLY 7 H GLY 7 -38.074 17.707 -2.440 24 HA2 GLY 7 1HA GLY 7 -38.099 20.278 -3.616 25 HA3 GLY 7 2HA GLY 7 -36.846 19.644 -2.560 26 H PHE 8 H PHE 8 -35.455 20.939 -4.007 27 HA PHE 8 HA PHE 8 -35.093 20.371 -6.719 28 HB3 PHE 8 2HB PHE 8 -33.647 21.811 -4.631 29 HD1 PHE 8 1HD PHE 8 -32.504 20.371 -7.883 30 HD2 PHE 8 2HD PHE 8 -31.469 21.657 -3.961 31 HE1 PHE 8 1HE PHE 8 -30.159 19.761 -8.306 32 HE2 PHE 8 2HE PHE 8 -29.121 21.050 -4.378 33 HZ PHE 8 HZ PHE 8 -28.464 20.102 -6.553 34 H VAL 9 H VAL 9 -34.365 18.625 -7.724 35 HA VAL 9 HA VAL 9 -33.683 16.238 -6.597 36 HB VAL 9 HB VAL 9 -34.100 16.229 -8.913 37 HG11 VAL 9 1HG1 VAL 9 -32.052 17.429 -10.280 38 HG12 VAL 9 2HG1 VAL 9 -33.643 18.136 -9.990 39 HG13 VAL 9 3HG1 VAL 9 -32.295 18.523 -8.919 40 HG21 VAL 9 3HG2 VAL 9 -31.130 15.768 -8.674 41 HG22 VAL 9 1HG2 VAL 9 -32.363 14.628 -8.138 42 HG23 VAL 9 2HG2 VAL 9 -32.228 15.043 -9.847 43 H LYS 10 H LYS 10 -32.234 16.043 -4.992 44 HA LYS 10 HA LYS 10 -29.473 16.904 -5.553 45 HB3 LYS 10 2HB LYS 10 -30.909 18.132 -3.693 46 HG3 LYS 10 2HG LYS 10 -29.574 16.145 -1.927 47 HD3 LYS 10 2HD LYS 10 -31.713 16.877 -0.594 48 HE3 LYS 10 2HE LYS 10 -29.340 18.672 -1.083 49 HZ1 LYS 10 3HZ LYS 10 -30.173 19.027 1.478 50 HZ2 LYS 10 1HZ LYS 10 -31.627 19.010 0.611 51 HZ3 LYS 10 2HZ LYS 10 -30.413 20.116 0.205 52 H THR 11 H THR 11 -27.835 15.673 -4.289 53 HA THR 11 HA THR 11 -28.712 12.924 -3.712 54 HB THR 11 HB THR 11 -26.004 13.175 -4.846 55 HG1 THR 11 1HG THR 11 -28.111 13.218 -6.710 56 HG21 THR 11 3HG2 THR 11 -26.383 10.984 -4.977 57 HG22 THR 11 1HG2 THR 11 -27.592 11.300 -6.221 58 HG23 THR 11 2HG2 THR 11 -28.072 11.213 -4.526 59 H VAL 12 H VAL 12 -26.509 11.747 -2.847 60 HA VAL 12 HA VAL 12 -25.437 13.496 -0.731 61 HB VAL 12 HB VAL 12 -26.350 10.631 -0.479 62 HG11 VAL 12 1HG1 VAL 12 -25.571 10.784 1.866 63 HG12 VAL 12 2HG1 VAL 12 -24.253 10.844 0.693 64 HG13 VAL 12 3HG1 VAL 12 -24.804 12.324 1.479 65 HG21 VAL 12 3HG2 VAL 12 -27.271 13.242 0.685 66 HG22 VAL 12 1HG2 VAL 12 -28.202 12.046 -0.216 67 HG23 VAL 12 2HG2 VAL 12 -27.673 11.696 1.430 68 H GLU 13 H GLU 13 -23.312 13.706 -0.888 69 HA GLU 13 HA GLU 13 -21.770 11.587 -2.217 70 HB3 GLU 13 2HB GLU 13 -20.012 13.324 -2.473 71 HG3 GLU 13 2HG GLU 13 -22.611 14.425 -3.492 72 H ASP 14 H ASP 14 -20.277 10.440 -1.148 73 HA ASP 14 HA ASP 14 -19.523 11.322 1.560 74 HB3 ASP 14 2HB ASP 14 -21.183 9.401 1.496 75 H LYS 15 H LYS 15 -17.745 9.249 2.114 76 HA LYS 15 HA LYS 15 -15.878 8.671 0.121 77 HB3 LYS 15 2HB LYS 15 -15.158 10.830 -0.188 78 HG3 LYS 15 2HG LYS 15 -16.544 12.050 1.288 79 HD3 LYS 15 2HD LYS 15 -14.957 10.750 3.496 80 HE3 LYS 15 2HE LYS 15 -15.535 13.314 3.660 81 HZ1 LYS 15 3HZ LYS 15 -17.851 12.950 5.064 82 HZ2 LYS 15 1HZ LYS 15 -18.107 12.078 3.637 83 HZ3 LYS 15 2HZ LYS 15 -17.703 13.718 3.564 84 H TYR 16 H TYR 16 -13.686 8.068 1.105 85 HA TYR 16 HA TYR 16 -14.215 6.737 3.662 86 HB3 TYR 16 2HB TYR 16 -12.433 5.217 3.088 87 HD1 TYR 16 2HD TYR 16 -13.301 6.288 -0.319 88 HD2 TYR 16 1HD TYR 16 -14.312 3.720 2.920 89 HE1 TYR 16 2HE TYR 16 -14.786 5.009 -1.805 90 HE2 TYR 16 1HE TYR 16 -15.800 2.433 1.442 91 HH TYR 16 HH TYR 16 -16.733 2.310 -0.578 92 H LYS 17 H LYS 17 -12.247 6.460 5.096 93 HA LYS 17 HA LYS 17 -10.346 8.655 5.008 94 HB3 LYS 17 2HB LYS 17 -12.532 8.419 7.036 95 HG3 LYS 17 2HG LYS 17 -10.802 10.274 8.115 96 HD3 LYS 17 2HD LYS 17 -10.394 8.168 9.731 97 HE3 LYS 17 2HE LYS 17 -12.466 10.184 9.421 98 HZ1 LYS 17 3HZ LYS 17 -13.135 7.662 10.833 99 HZ2 LYS 17 1HZ LYS 17 -13.999 8.389 9.574 100 HZ3 LYS 17 2HZ LYS 17 -13.938 9.128 11.094 101 H CYS 18 H CYS 18 -8.447 8.207 6.049 102 HA CYS 18 HA CYS 18 -7.832 5.513 6.594 103 HB3 CYS 18 2HB CYS 18 -6.344 8.070 7.201 104 H GLU 19 H GLU 19 -7.622 4.373 8.468 105 HA GLU 19 HA GLU 19 -9.006 5.430 10.780 106 HB3 GLU 19 2HB GLU 19 -8.258 3.021 11.630 107 HG3 GLU 19 2HG GLU 19 -10.268 2.086 10.869 108 H LYS 20 H LYS 20 -6.335 6.473 9.967 109 HA LYS 20 HA LYS 20 -4.997 6.075 12.556 110 HB3 LYS 20 2HB LYS 20 -3.087 6.700 10.493 111 HG3 LYS 20 2HG LYS 20 -3.460 4.487 12.465 112 HD3 LYS 20 2HD LYS 20 -1.179 4.652 10.502 113 HE3 LYS 20 2HE LYS 20 -0.287 2.849 11.548 114 HZ1 LYS 20 3HZ LYS 20 -2.015 3.955 13.693 115 HZ2 LYS 20 1HZ LYS 20 -0.431 4.421 13.325 116 HZ3 LYS 20 2HZ LYS 20 -0.734 2.883 13.961 117 H CYS 21 H CYS 21 -4.654 8.092 9.630 118 HA CYS 21 HA CYS 21 -4.287 10.428 11.362 119 HB3 CYS 21 2HB CYS 21 -2.528 10.225 9.774 120 H HIS 22 H HIS 22 -6.788 8.900 9.999 121 HA HIS 22 HA HIS 22 -8.911 9.473 9.418 122 HB3 HIS 22 2HB HIS 22 -9.784 10.929 10.879 123 HD2 HIS 22 2HD HIS 22 -7.591 9.303 12.463 124 HE1 HIS 22 1HE HIS 22 -6.273 13.024 14.016 125 HE2 HIS 22 2HE HIS 22 -6.159 10.518 14.241 126 H LEU 23 H LEU 23 -6.622 10.009 7.592 127 HA LEU 23 HA LEU 23 -7.156 12.377 6.123 128 HB3 LEU 23 2HB LEU 23 -5.970 10.661 4.334 129 HG LEU 23 HG LEU 23 -4.744 12.509 6.347 130 HD11 LEU 23 1HD1 LEU 23 -3.426 10.263 5.244 131 HD12 LEU 23 2HD1 LEU 23 -2.738 11.588 6.183 132 HD13 LEU 23 3HD1 LEU 23 -2.811 11.700 4.425 133 HD21 LEU 23 3HD2 LEU 23 -5.570 13.762 4.613 134 HD22 LEU 23 1HD2 LEU 23 -5.304 12.489 3.421 135 HD23 LEU 23 2HD2 LEU 23 -3.939 13.431 4.025 136 H VAL 24 H VAL 24 -8.890 12.783 4.937 137 HA VAL 24 HA VAL 24 -10.775 10.790 4.200 138 HB VAL 24 HB VAL 24 -10.487 13.699 3.494 139 HG11 VAL 24 1HG1 VAL 24 -11.429 12.698 1.528 140 HG12 VAL 24 2HG1 VAL 24 -12.570 11.761 2.496 141 HG13 VAL 24 3HG1 VAL 24 -12.719 13.517 2.409 142 HG21 VAL 24 3HG2 VAL 24 -12.885 13.445 4.660 143 HG22 VAL 24 1HG2 VAL 24 -12.054 12.079 5.404 144 HG23 VAL 24 2HG2 VAL 24 -11.397 13.707 5.568 145 H LEU 25 H LEU 25 -10.453 9.336 2.655 146 HA LEU 25 HA LEU 25 -9.117 10.200 0.175 147 HB3 LEU 25 2HB LEU 25 -7.673 8.535 0.370 148 HG LEU 25 HG LEU 25 -9.022 8.133 2.993 149 HD11 LEU 25 1HD1 LEU 25 -8.098 5.939 1.555 150 HD12 LEU 25 2HD1 LEU 25 -8.408 6.021 3.289 151 HD13 LEU 25 3HD1 LEU 25 -6.789 6.338 2.667 152 HD21 LEU 25 3HD2 LEU 25 -6.667 8.445 3.757 153 HD22 LEU 25 1HD2 LEU 25 -7.330 9.815 2.865 154 HD23 LEU 25 2HD2 LEU 25 -6.211 8.707 2.073 155 H CYS 26 H CYS 26 -9.714 8.821 -1.736 156 HA CYS 26 HA CYS 26 -12.594 8.212 -1.637 157 HB3 CYS 26 2HB CYS 26 -11.024 8.894 -4.121 158 H SER 27 H SER 27 -9.576 6.815 -1.881 159 HA SER 27 HA SER 27 -10.734 4.288 -2.716 160 HB3 SER 27 2HB SER 27 -10.015 5.228 -4.851 161 HG SER 27 HG SER 27 -8.405 6.641 -4.203 162 HA PRO 28 HA PRO 28 -7.567 4.069 0.688 163 HB3 PRO 28 2HB PRO 28 -9.155 4.413 2.312 164 HG3 PRO 28 2HG PRO 28 -11.401 3.969 1.907 165 HD3 PRO 28 2HD PRO 28 -10.910 5.250 0.055 166 H LYS 29 H LYS 29 -7.478 1.760 2.128 167 HA LYS 29 HA LYS 29 -7.324 -0.361 0.088 168 HB3 LYS 29 2HB LYS 29 -5.220 -1.042 0.828 169 HG3 LYS 29 2HG LYS 29 -3.751 0.844 0.885 170 HD3 LYS 29 2HD LYS 29 -5.879 2.065 -0.751 171 HE3 LYS 29 2HE LYS 29 -3.009 1.421 -0.909 172 HZ1 LYS 29 3HZ LYS 29 -4.572 0.438 -2.925 173 HZ2 LYS 29 1HZ LYS 29 -2.914 0.767 -3.014 174 HZ3 LYS 29 2HZ LYS 29 -4.036 1.927 -3.522 175 H GLN 30 H GLN 30 -9.596 -0.368 1.355 176 HA GLN 30 HA GLN 30 -10.098 -1.250 3.819 177 HB3 GLN 30 2HB GLN 30 -11.389 -3.039 1.900 178 HG3 GLN 30 2HG GLN 30 -12.412 -0.831 3.667 179 HE21 GLN 30 1HE2 GLN 30 -14.639 -2.696 4.216 180 HE22 GLN 30 2HE2 GLN 30 -15.724 -2.516 2.884 181 H THR 31 H THR 31 -9.107 -2.644 5.105 182 HA THR 31 HA THR 31 -7.444 -4.742 4.144 183 HB THR 31 HB THR 31 -6.956 -5.245 6.396 184 HG1 THR 31 1HG THR 31 -9.244 -3.776 7.236 185 HG21 THR 31 3HG2 THR 31 -7.601 -2.443 6.989 186 HG22 THR 31 1HG2 THR 31 -6.735 -2.690 5.474 187 HG23 THR 31 2HG2 THR 31 -6.046 -3.272 6.990 188 H GLU 32 H GLU 32 -8.170 -6.694 6.200 189 HA GLU 32 HA GLU 32 -10.388 -7.965 4.759 190 HB3 GLU 32 2HB GLU 32 -9.006 -9.640 6.697 191 HG3 GLU 32 2HG GLU 32 -8.426 -10.697 4.280 192 H CYS 33 H CYS 33 -10.319 -5.963 7.146 193 HA CYS 33 HA CYS 33 -12.133 -7.509 8.881 194 HB3 CYS 33 2HB CYS 33 -9.977 -6.711 9.934 195 H GLY 34 H GLY 34 -11.620 -4.568 7.075 196 HA2 GLY 34 1HA GLY 34 -13.876 -3.791 6.158 197 HA3 GLY 34 2HA GLY 34 -14.303 -3.627 7.855 198 H HIS 35 H HIS 35 -12.083 -2.497 8.946 199 HA HIS 35 HA HIS 35 -12.385 0.194 8.508 200 HB3 HIS 35 2HB HIS 35 -10.132 0.457 9.581 201 HD2 HIS 35 2HD HIS 35 -12.295 1.275 11.336 202 HE1 HIS 35 1HE HIS 35 -12.254 -2.397 13.460 203 HE2 HIS 35 2HE HIS 35 -13.139 -0.041 13.398 204 H ARG 36 H ARG 36 -10.349 1.629 7.870 205 HA ARG 36 HA ARG 36 -9.107 0.664 5.415 206 HB3 ARG 36 2HB ARG 36 -9.783 2.832 4.269 207 HG3 ARG 36 2HG ARG 36 -11.644 0.594 4.844 208 HD3 ARG 36 2HD ARG 36 -12.565 2.677 2.947 209 HE ARG 36 HE ARG 36 -14.159 1.024 3.043 210 HH11 ARG 36 1HH1 ARG 36 -13.295 2.013 6.266 211 HH12 ARG 36 2HH1 ARG 36 -14.587 1.139 7.021 212 HH21 ARG 36 1HH2 ARG 36 -15.864 -0.130 4.025 213 HH22 ARG 36 2HH2 ARG 36 -16.048 -0.080 5.745 214 H PHE 37 H PHE 37 -7.384 2.076 4.648 215 HA PHE 37 HA PHE 37 -6.436 4.082 6.542 216 HB3 PHE 37 2HB PHE 37 -4.107 2.981 6.367 217 HD1 PHE 37 2HD PHE 37 -6.443 0.357 7.404 218 HD2 PHE 37 1HD PHE 37 -4.193 3.754 8.636 219 HE1 PHE 37 2HE PHE 37 -6.842 -0.236 9.759 220 HE2 PHE 37 1HE PHE 37 -4.588 3.165 10.992 221 HZ PHE 37 HZ PHE 37 -5.915 1.170 11.556 222 H CYS 38 H CYS 38 -4.361 5.121 5.669 223 HA CYS 38 HA CYS 38 -4.808 5.681 2.835 224 HB3 CYS 38 2HB CYS 38 -4.705 7.550 4.496 225 H GLU 39 H GLU 39 -2.816 6.131 1.504 226 HA GLU 39 HA GLU 39 -1.339 3.898 1.044 227 HB3 GLU 39 2HB GLU 39 0.465 5.757 0.276 228 HG3 GLU 39 2HG GLU 39 -2.098 5.647 -1.247 229 H SER 40 H SER 40 -0.014 6.739 2.754 230 HA SER 40 HA SER 40 2.362 5.657 3.596 231 HB3 SER 40 2HB SER 40 1.589 7.224 5.757 232 HG SER 40 HG SER 40 3.340 8.037 4.939 233 H CYS 41 H CYS 41 -0.059 6.194 6.100 234 HA CYS 41 HA CYS 41 0.718 4.477 7.982 235 HB3 CYS 41 2HB CYS 41 -1.659 4.152 8.626 236 H MET 42 H MET 42 -1.303 3.498 5.222 237 HA MET 42 HA MET 42 -1.635 0.827 5.812 238 HB3 MET 42 2HB MET 42 -1.327 2.246 3.172 239 HG3 MET 42 2HG MET 42 -0.688 -0.101 2.833 240 HE1 MET 42 3HE MET 42 -4.651 -1.021 4.947 241 HE2 MET 42 1HE MET 42 -3.510 0.201 5.512 242 HE3 MET 42 2HE MET 42 -4.319 0.402 3.957 243 H ALA 43 H ALA 43 0.955 2.212 3.784 244 HA ALA 43 HA ALA 43 2.403 -0.151 3.435 245 HB1 ALA 43 3HB ALA 43 4.303 1.311 2.863 246 HB2 ALA 43 1HB ALA 43 2.806 1.804 2.069 247 HB3 ALA 43 2HB ALA 43 3.397 2.696 3.472 248 H ALA 44 H ALA 44 2.377 2.159 6.069 249 HA ALA 44 HA ALA 44 4.744 1.339 7.359 250 HB1 ALA 44 3HB ALA 44 2.823 2.197 9.283 251 HB2 ALA 44 1HB ALA 44 4.227 3.061 8.655 252 HB3 ALA 44 2HB ALA 44 2.670 3.194 7.837 253 H LEU 45 H LEU 45 1.348 0.456 8.003 254 HA LEU 45 HA LEU 45 1.864 -1.402 10.028 255 HB3 LEU 45 2HB LEU 45 -0.364 -2.257 9.601 256 HG LEU 45 HG LEU 45 -0.300 0.734 9.211 257 HD11 LEU 45 1HD1 LEU 45 -2.631 0.706 9.914 258 HD12 LEU 45 2HD1 LEU 45 -2.610 -1.056 9.954 259 HD13 LEU 45 3HD1 LEU 45 -2.412 -0.208 8.421 260 HD21 LEU 45 3HD2 LEU 45 0.125 0.859 11.384 261 HD22 LEU 45 1HD2 LEU 45 0.317 -0.893 11.424 262 HD23 LEU 45 2HD2 LEU 45 -1.260 -0.172 11.748 263 H LEU 46 H LEU 46 1.512 -1.868 6.525 264 HA LEU 46 HA LEU 46 1.686 -4.626 6.411 265 HB3 LEU 46 2HB LEU 46 2.631 -4.293 4.135 266 HG LEU 46 HG LEU 46 0.330 -2.429 4.718 267 HD11 LEU 46 1HD1 LEU 46 1.582 -3.407 2.187 268 HD12 LEU 46 2HD1 LEU 46 1.021 -1.790 2.611 269 HD13 LEU 46 3HD1 LEU 46 -0.147 -3.060 2.248 270 HD21 LEU 46 3HD2 LEU 46 -0.599 -4.408 5.305 271 HD22 LEU 46 1HD2 LEU 46 0.572 -5.356 4.387 272 HD23 LEU 46 2HD2 LEU 46 -0.774 -4.574 3.558 273 H SER 47 H SER 47 4.201 -2.256 6.920 274 HA SER 47 HA SER 47 6.296 -4.273 6.696 275 HB3 SER 47 2HB SER 47 7.174 -1.677 7.661 276 HG SER 47 HG SER 47 7.641 -2.827 5.124 277 H SER 48 H SER 48 4.289 -4.409 8.825 278 HA SER 48 HA SER 48 5.968 -3.944 11.195 279 HB3 SER 48 2HB SER 48 2.987 -4.468 11.072 280 HG SER 48 HG SER 48 4.003 -3.189 13.250 281 H SER 49 H SER 49 6.291 -6.182 9.352 282 HA SER 49 HA SER 49 6.319 -8.484 9.284 283 HB3 SER 49 2HB SER 49 7.281 -9.406 11.492 284 HG SER 49 HG SER 49 8.373 -7.615 9.713 285 H SER 50 H SER 50 3.720 -7.293 10.086 286 HA SER 50 HA SER 50 2.137 -9.448 10.398 287 HB3 SER 50 2HB SER 50 2.843 -10.311 12.392 288 HG SER 50 HG SER 50 3.501 -7.675 13.218 289 HA PRO 51 HA PRO 51 0.221 -5.178 10.376 290 HB3 PRO 51 2HB PRO 51 0.763 -4.795 8.176 291 HG3 PRO 51 2HG PRO 51 1.210 -6.558 6.727 292 HD3 PRO 51 2HD PRO 51 2.583 -7.133 8.487 293 H LYS 52 H LYS 52 -1.614 -5.146 11.495 294 HA LYS 52 HA LYS 52 -3.661 -7.185 10.914 295 HB3 LYS 52 2HB LYS 52 -4.314 -7.165 13.163 296 HG3 LYS 52 2HG LYS 52 -1.356 -6.945 12.906 297 HD3 LYS 52 2HD LYS 52 -2.527 -7.651 15.551 298 HE3 LYS 52 2HE LYS 52 -0.059 -6.051 15.171 299 HZ1 LYS 52 3HZ LYS 52 -0.637 -8.446 16.829 300 HZ2 LYS 52 1HZ LYS 52 -0.815 -6.849 17.359 301 HZ3 LYS 52 2HZ LYS 52 0.716 -7.439 16.947 302 H CYS 53 H CYS 53 -3.667 -3.991 12.497 303 HA CYS 53 HA CYS 53 -4.842 -2.379 10.719 304 HB3 CYS 53 2HB CYS 53 -6.849 -4.357 11.729 305 H THR 54 H THR 54 -3.936 -0.841 12.029 306 HA THR 54 HA THR 54 -3.854 -0.425 14.646 307 HB THR 54 HB THR 54 -3.979 1.353 12.378 308 HG1 THR 54 1HG THR 54 -2.227 0.844 13.975 309 HG21 THR 54 3HG2 THR 54 -5.211 2.364 14.944 310 HG22 THR 54 1HG2 THR 54 -6.000 2.247 13.372 311 HG23 THR 54 2HG2 THR 54 -4.675 3.387 13.611 312 H ALA 55 H ALA 55 -6.778 -0.066 12.714 313 HA ALA 55 HA ALA 55 -8.464 1.119 14.568 314 HB1 ALA 55 3HB ALA 55 -10.064 0.749 13.048 315 HB2 ALA 55 1HB ALA 55 -8.755 0.129 12.042 316 HB3 ALA 55 2HB ALA 55 -9.743 -0.983 12.989 317 H CYS 56 H CYS 56 -8.720 -2.344 13.807 318 HA CYS 56 HA CYS 56 -9.208 -2.840 16.671 319 HB3 CYS 56 2HB CYS 56 -11.206 -3.250 15.359 320 H GLN 57 H GLN 57 -7.368 -3.696 13.878 321 HA GLN 57 HA GLN 57 -5.357 -4.819 13.795 322 HB3 GLN 57 2HB GLN 57 -4.327 -5.690 15.700 323 HG3 GLN 57 2HG GLN 57 -5.926 -4.098 17.491 324 HE21 GLN 57 1HE2 GLN 57 -3.437 -2.816 15.416 325 HE22 GLN 57 2HE2 GLN 57 -2.168 -2.845 16.588 326 H GLU 58 H GLU 58 -6.187 -6.087 12.143 327 HA GLU 58 HA GLU 58 -7.001 -8.791 12.964 328 HB3 GLU 58 2HB GLU 58 -8.338 -6.930 11.062 329 HG3 GLU 58 2HG GLU 58 -7.998 -8.547 9.449 330 H SER 59 H SER 59 -6.512 -7.294 9.785 331 HA SER 59 HA SER 59 -3.938 -8.406 9.355 332 HB3 SER 59 2HB SER 59 -5.343 -10.483 9.282 333 HG SER 59 HG SER 59 -6.348 -10.311 6.885 334 H ILE 60 H ILE 60 -2.967 -7.408 7.680 335 HA ILE 60 HA ILE 60 -4.647 -6.060 5.684 336 HB ILE 60 HB ILE 60 -2.226 -4.588 6.509 337 HG13 ILE 60 2HG1 ILE 60 -3.250 -5.383 8.674 338 HG21 ILE 60 1HG2 ILE 60 -4.934 -4.043 5.444 339 HG22 ILE 60 2HG2 ILE 60 -4.178 -2.776 6.410 340 HG23 ILE 60 3HG2 ILE 60 -3.370 -3.382 4.965 341 HD11 ILE 60 3HD1 ILE 60 -2.150 -3.008 8.210 342 HD12 ILE 60 1HD1 ILE 60 -3.770 -2.477 8.658 343 HD13 ILE 60 2HD1 ILE 60 -2.823 -3.461 9.776 344 H VAL 61 H VAL 61 -4.111 -7.240 3.933 345 HA VAL 61 HA VAL 61 -1.247 -7.428 3.258 346 HB VAL 61 HB VAL 61 -3.437 -9.422 2.676 347 HG11 VAL 61 1HG1 VAL 61 -0.734 -9.053 1.478 348 HG12 VAL 61 2HG1 VAL 61 -1.345 -10.690 1.725 349 HG13 VAL 61 3HG1 VAL 61 -2.245 -9.554 0.719 350 HG21 VAL 61 3HG2 VAL 61 -2.735 -10.410 4.537 351 HG22 VAL 61 1HG2 VAL 61 -1.140 -10.604 3.809 352 HG23 VAL 61 2HG2 VAL 61 -1.505 -9.168 4.767 353 H LYS 62 H LYS 62 -0.695 -6.333 1.502 354 HA LYS 62 HA LYS 62 -2.266 -4.742 -0.033 355 HB3 LYS 62 2HB LYS 62 0.047 -4.490 -0.313 356 HG3 LYS 62 2HG LYS 62 0.558 -7.084 -1.632 357 HD3 LYS 62 2HD LYS 62 2.641 -6.752 -0.102 358 HE3 LYS 62 2HE LYS 62 1.937 -5.821 -2.694 359 HZ1 LYS 62 3HZ LYS 62 2.376 -3.649 -2.513 360 HZ2 LYS 62 1HZ LYS 62 4.000 -4.118 -2.452 361 HZ3 LYS 62 2HZ LYS 62 3.155 -3.809 -1.020 362 H ASP 63 H ASP 63 -1.577 -8.162 -0.604 363 HA ASP 63 HA ASP 63 -2.917 -8.355 -3.085 364 HB3 ASP 63 2HB ASP 63 -1.357 -10.039 -1.581 365 H LYS 64 H LYS 64 -3.972 -8.827 0.252 366 HA LYS 64 HA LYS 64 -6.658 -9.539 -0.586 367 HB3 LYS 64 2HB LYS 64 -7.122 -9.892 1.741 368 HG3 LYS 64 2HG LYS 64 -4.776 -11.050 2.423 369 HD3 LYS 64 2HD LYS 64 -6.661 -12.177 0.357 370 HE3 LYS 64 2HE LYS 64 -5.486 -13.726 2.608 371 HZ1 LYS 64 3HZ LYS 64 -5.850 -15.512 1.241 372 HZ2 LYS 64 1HZ LYS 64 -5.715 -14.611 -0.184 373 HZ3 LYS 64 2HZ LYS 64 -7.114 -14.498 0.759 374 H VAL 65 H VAL 65 -4.944 -6.710 -0.108 375 HA VAL 65 HA VAL 65 -7.133 -5.135 0.945 376 HB VAL 65 HB VAL 65 -4.307 -4.771 0.630 377 HG11 VAL 65 1HG1 VAL 65 -4.927 -3.514 -1.396 378 HG12 VAL 65 2HG1 VAL 65 -5.972 -2.483 -0.416 379 HG13 VAL 65 3HG1 VAL 65 -4.228 -2.479 -0.150 380 HG21 VAL 65 3HG2 VAL 65 -4.969 -4.248 2.725 381 HG22 VAL 65 1HG2 VAL 65 -5.142 -2.632 2.040 382 HG23 VAL 65 2HG2 VAL 65 -6.552 -3.679 2.199 383 H PHE 66 H PHE 66 -8.330 -3.613 -0.169 384 HA PHE 66 HA PHE 66 -7.894 -3.190 -2.998 385 HB3 PHE 66 2HB PHE 66 -9.235 -4.919 -3.577 386 HD1 PHE 66 2HD PHE 66 -10.231 -3.867 -0.170 387 HD2 PHE 66 1HD PHE 66 -10.191 -6.990 -3.061 388 HE1 PHE 66 2HE PHE 66 -11.016 -5.453 1.538 389 HE2 PHE 66 1HE PHE 66 -10.978 -8.582 -1.357 390 HZ PHE 66 HZ PHE 66 -11.390 -7.814 0.946 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -23.169 27.560 -3.004 2 HA2 GLY 1 1HA GLY 1 -22.780 29.955 -1.345 3 HA3 GLY 1 2HA GLY 1 -21.591 29.571 -2.580 4 H SER 2 H SER 2 -21.861 30.517 -4.482 5 HA SER 2 HA SER 2 -23.945 32.276 -5.046 6 HB3 SER 2 2HB SER 2 -22.637 31.076 -7.403 7 HG SER 2 HG SER 2 -22.843 33.686 -6.310 8 H SER 3 H SER 3 -23.361 29.060 -6.475 9 HA SER 3 HA SER 3 -26.114 29.021 -7.456 10 HB3 SER 3 2HB SER 3 -24.781 26.615 -8.136 11 HG SER 3 HG SER 3 -24.815 27.679 -10.245 12 H GLY 4 H GLY 4 -23.922 27.122 -5.409 13 HA2 GLY 4 1HA GLY 4 -24.476 25.916 -3.496 14 HA3 GLY 4 2HA GLY 4 -26.175 26.220 -3.828 15 H SER 5 H SER 5 -23.663 23.959 -3.951 16 HA SER 5 HA SER 5 -24.148 22.279 -6.021 17 HB3 SER 5 2HB SER 5 -23.628 21.531 -3.136 18 HG SER 5 HG SER 5 -23.049 19.529 -3.908 19 H SER 6 H SER 6 -25.895 21.337 -6.819 20 HA SER 6 HA SER 6 -28.241 20.992 -5.104 21 HB3 SER 6 2HB SER 6 -29.556 20.971 -7.069 22 HG SER 6 HG SER 6 -28.920 22.837 -8.107 23 H GLY 7 H GLY 7 -28.690 19.067 -4.277 24 HA2 GLY 7 1HA GLY 7 -28.509 16.660 -5.807 25 HA3 GLY 7 2HA GLY 7 -27.226 16.761 -4.611 26 H PHE 8 H PHE 8 -30.123 15.429 -5.131 27 HA PHE 8 HA PHE 8 -31.702 15.944 -2.915 28 HB3 PHE 8 2HB PHE 8 -31.958 13.192 -3.380 29 HD1 PHE 8 2HD PHE 8 -32.957 15.535 -6.022 30 HD2 PHE 8 1HD PHE 8 -34.079 13.644 -2.377 31 HE1 PHE 8 2HE PHE 8 -35.282 16.264 -6.364 32 HE2 PHE 8 1HE PHE 8 -36.406 14.369 -2.713 33 HZ PHE 8 HZ PHE 8 -37.010 15.681 -4.708 34 H VAL 9 H VAL 9 -32.136 13.905 -1.321 35 HA VAL 9 HA VAL 9 -29.611 13.605 0.151 36 HB VAL 9 HB VAL 9 -31.469 14.733 1.338 37 HG11 VAL 9 1HG1 VAL 9 -33.548 13.959 1.249 38 HG12 VAL 9 2HG1 VAL 9 -32.991 12.620 0.243 39 HG13 VAL 9 3HG1 VAL 9 -33.042 12.446 1.998 40 HG21 VAL 9 3HG2 VAL 9 -31.248 12.241 2.874 41 HG22 VAL 9 1HG2 VAL 9 -29.713 12.897 2.304 42 HG23 VAL 9 2HG2 VAL 9 -30.778 13.886 3.303 43 H LYS 10 H LYS 10 -30.621 11.912 -2.117 44 HA LYS 10 HA LYS 10 -30.898 9.335 -0.733 45 HB3 LYS 10 2HB LYS 10 -31.290 9.873 -3.678 46 HG3 LYS 10 2HG LYS 10 -31.920 7.586 -1.869 47 HD3 LYS 10 2HD LYS 10 -33.361 6.788 -3.859 48 HE3 LYS 10 2HE LYS 10 -33.977 7.990 -1.436 49 HZ1 LYS 10 3HZ LYS 10 -35.053 9.553 -3.587 50 HZ2 LYS 10 1HZ LYS 10 -34.997 9.889 -1.929 51 HZ3 LYS 10 2HZ LYS 10 -36.253 8.948 -2.560 52 H THR 11 H THR 11 -28.893 11.140 -2.961 53 HA THR 11 HA THR 11 -27.239 8.998 -3.794 54 HB THR 11 HB THR 11 -27.453 11.689 -4.446 55 HG1 THR 11 1HG THR 11 -25.900 11.101 -6.024 56 HG21 THR 11 3HG2 THR 11 -25.379 12.735 -4.078 57 HG22 THR 11 1HG2 THR 11 -24.619 11.235 -3.548 58 HG23 THR 11 2HG2 THR 11 -25.806 12.034 -2.517 59 H VAL 12 H VAL 12 -24.771 9.155 -3.338 60 HA VAL 12 HA VAL 12 -24.413 9.318 -0.416 61 HB VAL 12 HB VAL 12 -24.138 7.058 -0.900 62 HG11 VAL 12 1HG1 VAL 12 -22.572 7.831 -3.359 63 HG12 VAL 12 2HG1 VAL 12 -22.914 6.183 -2.828 64 HG13 VAL 12 3HG1 VAL 12 -24.233 7.241 -3.331 65 HG21 VAL 12 3HG2 VAL 12 -22.035 8.418 0.054 66 HG22 VAL 12 1HG2 VAL 12 -22.040 6.665 -0.140 67 HG23 VAL 12 2HG2 VAL 12 -21.286 7.685 -1.364 68 H GLU 13 H GLU 13 -23.844 11.577 -0.712 69 HA GLU 13 HA GLU 13 -21.404 12.168 -2.163 70 HB3 GLU 13 2HB GLU 13 -21.803 14.494 -1.381 71 HG3 GLU 13 2HG GLU 13 -24.502 13.921 -2.269 72 H ASP 14 H ASP 14 -19.908 10.901 -0.982 73 HA ASP 14 HA ASP 14 -18.486 12.246 0.996 74 HB3 ASP 14 2HB ASP 14 -19.100 10.206 2.723 75 H LYS 15 H LYS 15 -16.515 11.291 1.384 76 HA LYS 15 HA LYS 15 -16.007 8.819 -0.120 77 HB3 LYS 15 2HB LYS 15 -13.924 9.605 -0.631 78 HG3 LYS 15 2HG LYS 15 -15.740 11.481 -1.054 79 HD3 LYS 15 2HD LYS 15 -14.528 12.347 1.355 80 HE3 LYS 15 2HE LYS 15 -12.827 13.242 -0.402 81 HZ1 LYS 15 3HZ LYS 15 -13.867 15.669 -0.834 82 HZ2 LYS 15 1HZ LYS 15 -15.237 14.702 -1.056 83 HZ3 LYS 15 2HZ LYS 15 -13.851 14.429 -1.984 84 H TYR 16 H TYR 16 -13.600 8.077 1.008 85 HA TYR 16 HA TYR 16 -14.510 7.051 3.594 86 HB3 TYR 16 2HB TYR 16 -12.655 5.410 3.324 87 HD1 TYR 16 2HD TYR 16 -15.678 6.420 1.945 88 HD2 TYR 16 1HD TYR 16 -12.661 3.457 1.470 89 HE1 TYR 16 2HE TYR 16 -17.303 4.954 0.824 90 HE2 TYR 16 1HE TYR 16 -14.278 1.982 0.347 91 HH TYR 16 HH TYR 16 -16.350 2.054 -0.796 92 H LYS 17 H LYS 17 -12.291 6.446 4.926 93 HA LYS 17 HA LYS 17 -10.426 8.645 4.989 94 HB3 LYS 17 2HB LYS 17 -12.620 8.368 6.999 95 HG3 LYS 17 2HG LYS 17 -10.851 10.114 8.184 96 HD3 LYS 17 2HD LYS 17 -10.504 7.921 9.691 97 HE3 LYS 17 2HE LYS 17 -12.488 10.017 9.491 98 HZ1 LYS 17 3HZ LYS 17 -13.475 7.901 11.215 99 HZ2 LYS 17 1HZ LYS 17 -13.733 7.668 9.558 100 HZ3 LYS 17 2HZ LYS 17 -14.328 9.057 10.320 101 H CYS 18 H CYS 18 -8.530 8.109 5.985 102 HA CYS 18 HA CYS 18 -7.944 5.396 6.400 103 HB3 CYS 18 2HB CYS 18 -6.460 7.917 7.140 104 H GLU 19 H GLU 19 -7.753 4.144 8.206 105 HA GLU 19 HA GLU 19 -9.172 5.059 10.558 106 HB3 GLU 19 2HB GLU 19 -8.538 2.630 11.303 107 HG3 GLU 19 2HG GLU 19 -10.440 1.716 10.297 108 H LYS 20 H LYS 20 -6.533 6.200 9.892 109 HA LYS 20 HA LYS 20 -5.224 5.629 12.459 110 HB3 LYS 20 2HB LYS 20 -3.294 6.361 10.432 111 HG3 LYS 20 2HG LYS 20 -3.635 4.045 12.305 112 HD3 LYS 20 2HD LYS 20 -1.330 4.484 10.406 113 HE3 LYS 20 2HE LYS 20 -0.245 2.799 11.448 114 HZ1 LYS 20 3HZ LYS 20 -2.135 3.298 13.675 115 HZ2 LYS 20 1HZ LYS 20 -0.917 4.390 13.243 116 HZ3 LYS 20 2HZ LYS 20 -0.511 2.837 13.776 117 H CYS 21 H CYS 21 -4.715 7.794 9.668 118 HA CYS 21 HA CYS 21 -4.398 10.031 11.525 119 HB3 CYS 21 2HB CYS 21 -2.630 9.899 9.938 120 H HIS 22 H HIS 22 -6.886 8.599 9.999 121 HA HIS 22 HA HIS 22 -9.005 9.221 9.455 122 HB3 HIS 22 2HB HIS 22 -9.895 10.620 10.966 123 HD2 HIS 22 2HD HIS 22 -7.776 8.826 12.484 124 HE1 HIS 22 1HE HIS 22 -6.431 12.396 14.339 125 HE2 HIS 22 2HE HIS 22 -6.373 9.878 14.384 126 H LEU 23 H LEU 23 -6.701 9.830 7.679 127 HA LEU 23 HA LEU 23 -7.225 12.283 6.337 128 HB3 LEU 23 2HB LEU 23 -5.971 10.706 4.481 129 HG LEU 23 HG LEU 23 -4.811 12.402 6.661 130 HD11 LEU 23 1HD1 LEU 23 -2.825 11.744 4.735 131 HD12 LEU 23 2HD1 LEU 23 -3.451 10.250 5.430 132 HD13 LEU 23 3HD1 LEU 23 -2.795 11.504 6.482 133 HD21 LEU 23 3HD2 LEU 23 -5.930 13.376 4.641 134 HD22 LEU 23 1HD2 LEU 23 -4.659 12.641 3.663 135 HD23 LEU 23 2HD2 LEU 23 -4.250 13.863 4.866 136 H VAL 24 H VAL 24 -8.918 12.730 5.107 137 HA VAL 24 HA VAL 24 -10.786 10.775 4.257 138 HB VAL 24 HB VAL 24 -10.453 13.697 3.625 139 HG11 VAL 24 1HG1 VAL 24 -12.316 11.710 2.386 140 HG12 VAL 24 2HG1 VAL 24 -12.812 13.390 2.598 141 HG13 VAL 24 3HG1 VAL 24 -11.393 13.004 1.623 142 HG21 VAL 24 3HG2 VAL 24 -11.729 13.974 5.421 143 HG22 VAL 24 1HG2 VAL 24 -12.979 12.943 4.723 144 HG23 VAL 24 2HG2 VAL 24 -11.691 12.232 5.697 145 H LEU 25 H LEU 25 -10.513 9.386 2.648 146 HA LEU 25 HA LEU 25 -8.973 10.247 0.288 147 HB3 LEU 25 2HB LEU 25 -7.820 8.341 0.299 148 HG LEU 25 HG LEU 25 -8.972 8.225 3.054 149 HD11 LEU 25 1HD1 LEU 25 -8.694 6.028 3.197 150 HD12 LEU 25 2HD1 LEU 25 -6.968 6.291 2.949 151 HD13 LEU 25 3HD1 LEU 25 -8.015 5.947 1.570 152 HD21 LEU 25 3HD2 LEU 25 -6.204 8.539 1.901 153 HD22 LEU 25 1HD2 LEU 25 -6.562 8.430 3.625 154 HD23 LEU 25 2HD2 LEU 25 -7.185 9.782 2.678 155 H CYS 26 H CYS 26 -9.576 8.268 -1.466 156 HA CYS 26 HA CYS 26 -12.509 8.336 -1.702 157 HB3 CYS 26 2HB CYS 26 -12.463 9.260 -3.773 158 H SER 27 H SER 27 -9.791 6.467 -1.500 159 HA SER 27 HA SER 27 -11.141 4.049 -1.985 160 HB3 SER 27 2HB SER 27 -10.945 4.699 -4.347 161 HG SER 27 HG SER 27 -8.839 4.847 -5.249 162 HA PRO 28 HA PRO 28 -7.322 3.826 0.587 163 HB3 PRO 28 2HB PRO 28 -8.568 4.127 2.494 164 HG3 PRO 28 2HG PRO 28 -10.834 3.612 2.541 165 HD3 PRO 28 2HD PRO 28 -10.759 4.900 0.631 166 H LYS 29 H LYS 29 -6.880 1.525 1.976 167 HA LYS 29 HA LYS 29 -6.920 -0.538 -0.129 168 HB3 LYS 29 2HB LYS 29 -4.776 -1.202 0.448 169 HG3 LYS 29 2HG LYS 29 -3.348 0.642 0.484 170 HD3 LYS 29 2HD LYS 29 -5.515 2.313 -0.503 171 HE3 LYS 29 2HE LYS 29 -2.940 2.043 -1.102 172 HZ1 LYS 29 3HZ LYS 29 -3.454 0.927 -3.550 173 HZ2 LYS 29 1HZ LYS 29 -4.185 -0.135 -2.453 174 HZ3 LYS 29 2HZ LYS 29 -2.541 0.237 -2.303 175 H GLN 30 H GLN 30 -9.132 -0.754 1.101 176 HA GLN 30 HA GLN 30 -9.621 -1.690 3.545 177 HB3 GLN 30 2HB GLN 30 -10.797 -3.589 1.714 178 HG3 GLN 30 2HG GLN 30 -11.793 -1.317 3.380 179 HE21 GLN 30 1HE2 GLN 30 -14.006 -3.726 2.889 180 HE22 GLN 30 2HE2 GLN 30 -15.037 -2.931 1.753 181 H THR 31 H THR 31 -9.154 -3.376 4.839 182 HA THR 31 HA THR 31 -7.179 -5.297 3.863 183 HB THR 31 HB THR 31 -6.602 -5.731 6.108 184 HG1 THR 31 1HG THR 31 -8.969 -4.348 6.898 185 HG21 THR 31 3HG2 THR 31 -7.312 -2.894 6.557 186 HG22 THR 31 1HG2 THR 31 -6.362 -3.248 5.115 187 HG23 THR 31 2HG2 THR 31 -5.756 -3.710 6.705 188 H GLU 32 H GLU 32 -7.800 -7.202 5.998 189 HA GLU 32 HA GLU 32 -9.999 -8.581 4.645 190 HB3 GLU 32 2HB GLU 32 -8.252 -9.835 6.734 191 HG3 GLU 32 2HG GLU 32 -8.470 -11.635 4.752 192 H CYS 33 H CYS 33 -10.008 -6.431 6.900 193 HA CYS 33 HA CYS 33 -11.840 -7.894 8.686 194 HB3 CYS 33 2HB CYS 33 -9.688 -7.023 9.719 195 H GLY 34 H GLY 34 -11.299 -5.063 6.728 196 HA2 GLY 34 1HA GLY 34 -13.467 -4.276 5.704 197 HA3 GLY 34 2HA GLY 34 -14.033 -4.141 7.362 198 H HIS 35 H HIS 35 -11.934 -2.973 8.640 199 HA HIS 35 HA HIS 35 -12.266 -0.294 8.266 200 HB3 HIS 35 2HB HIS 35 -9.996 -0.028 9.365 201 HD2 HIS 35 2HD HIS 35 -12.113 0.867 11.107 202 HE1 HIS 35 1HE HIS 35 -12.329 -2.834 13.170 203 HE2 HIS 35 2HE HIS 35 -13.075 -0.429 13.128 204 H ARG 36 H ARG 36 -10.475 1.306 7.623 205 HA ARG 36 HA ARG 36 -9.123 0.444 5.164 206 HB3 ARG 36 2HB ARG 36 -9.806 2.591 4.090 207 HG3 ARG 36 2HG ARG 36 -11.767 0.488 4.796 208 HD3 ARG 36 2HD ARG 36 -13.044 2.157 2.941 209 HE ARG 36 HE ARG 36 -13.784 0.853 5.244 210 HH11 ARG 36 1HH1 ARG 36 -14.448 3.940 3.778 211 HH12 ARG 36 2HH1 ARG 36 -16.034 4.070 4.461 212 HH21 ARG 36 1HH2 ARG 36 -15.871 1.013 6.150 213 HH22 ARG 36 2HH2 ARG 36 -16.843 2.405 5.812 214 H PHE 37 H PHE 37 -7.507 2.089 4.414 215 HA PHE 37 HA PHE 37 -6.517 3.931 6.411 216 HB3 PHE 37 2HB PHE 37 -4.196 2.824 6.272 217 HD1 PHE 37 1HD PHE 37 -6.725 0.290 7.159 218 HD2 PHE 37 2HD PHE 37 -4.183 3.402 8.561 219 HE1 PHE 37 1HE PHE 37 -7.193 -0.378 9.480 220 HE2 PHE 37 2HE PHE 37 -4.646 2.739 10.884 221 HZ PHE 37 HZ PHE 37 -6.151 0.846 11.347 222 H CYS 38 H CYS 38 -4.458 5.012 5.605 223 HA CYS 38 HA CYS 38 -4.831 5.615 2.773 224 HB3 CYS 38 2HB CYS 38 -4.765 7.449 4.475 225 H GLU 39 H GLU 39 -2.870 6.013 1.442 226 HA GLU 39 HA GLU 39 -1.358 3.802 1.022 227 HB3 GLU 39 2HB GLU 39 0.430 5.714 0.276 228 HG3 GLU 39 2HG GLU 39 -2.041 5.497 -1.365 229 H SER 40 H SER 40 -0.085 6.672 2.722 230 HA SER 40 HA SER 40 2.306 5.649 3.581 231 HB3 SER 40 2HB SER 40 1.457 7.180 5.748 232 HG SER 40 HG SER 40 2.528 8.884 4.489 233 H CYS 41 H CYS 41 -0.158 6.095 6.063 234 HA CYS 41 HA CYS 41 0.651 4.398 7.948 235 HB3 CYS 41 2HB CYS 41 -1.742 3.957 8.524 236 H MET 42 H MET 42 -1.349 3.347 5.193 237 HA MET 42 HA MET 42 -1.555 0.665 5.767 238 HB3 MET 42 2HB MET 42 -1.278 2.060 3.106 239 HG3 MET 42 2HG MET 42 -0.677 -0.304 2.826 240 HE1 MET 42 3HE MET 42 -3.463 0.115 5.524 241 HE2 MET 42 1HE MET 42 -4.290 0.285 3.974 242 HE3 MET 42 2HE MET 42 -4.628 -1.103 5.008 243 H ALA 43 H ALA 43 0.988 2.196 3.789 244 HA ALA 43 HA ALA 43 2.527 -0.115 3.409 245 HB1 ALA 43 3HB ALA 43 2.840 2.744 2.959 246 HB2 ALA 43 1HB ALA 43 4.358 1.936 3.351 247 HB3 ALA 43 2HB ALA 43 3.386 1.377 1.989 248 H ALA 44 H ALA 44 2.323 2.116 6.077 249 HA ALA 44 HA ALA 44 4.761 1.402 7.347 250 HB1 ALA 44 3HB ALA 44 4.199 3.188 8.535 251 HB2 ALA 44 1HB ALA 44 2.573 3.170 7.851 252 HB3 ALA 44 2HB ALA 44 2.927 2.246 9.312 253 H LEU 45 H LEU 45 1.383 0.492 8.054 254 HA LEU 45 HA LEU 45 1.904 -1.322 10.092 255 HB3 LEU 45 2HB LEU 45 -0.281 -2.262 9.630 256 HG LEU 45 HG LEU 45 -0.300 0.719 9.169 257 HD11 LEU 45 1HD1 LEU 45 -2.551 -1.197 9.742 258 HD12 LEU 45 2HD1 LEU 45 -2.364 -0.147 8.339 259 HD13 LEU 45 3HD1 LEU 45 -2.669 0.554 9.928 260 HD21 LEU 45 3HD2 LEU 45 0.167 0.845 11.333 261 HD22 LEU 45 1HD2 LEU 45 0.184 -0.913 11.465 262 HD23 LEU 45 2HD2 LEU 45 -1.326 -0.027 11.685 263 H LEU 46 H LEU 46 1.471 -1.985 6.618 264 HA LEU 46 HA LEU 46 1.884 -4.725 6.674 265 HB3 LEU 46 2HB LEU 46 2.496 -4.541 4.325 266 HG LEU 46 HG LEU 46 0.253 -2.729 5.160 267 HD11 LEU 46 1HD1 LEU 46 1.088 -3.395 2.341 268 HD12 LEU 46 2HD1 LEU 46 1.152 -1.804 3.097 269 HD13 LEU 46 3HD1 LEU 46 -0.405 -2.582 2.810 270 HD21 LEU 46 3HD2 LEU 46 0.492 -5.468 4.959 271 HD22 LEU 46 1HD2 LEU 46 -0.290 -5.012 3.445 272 HD23 LEU 46 2HD2 LEU 46 -1.017 -4.554 4.986 273 H SER 47 H SER 47 4.223 -2.099 6.643 274 HA SER 47 HA SER 47 6.525 -3.650 6.150 275 HB3 SER 47 2HB SER 47 6.488 -1.132 7.813 276 HG SER 47 HG SER 47 8.544 -1.309 7.485 277 H SER 48 H SER 48 4.459 -3.646 8.776 278 HA SER 48 HA SER 48 6.380 -4.105 10.857 279 HB3 SER 48 2HB SER 48 3.410 -4.701 10.822 280 HG SER 48 HG SER 48 4.898 -4.081 13.114 281 H SER 49 H SER 49 6.407 -6.134 12.130 282 HA SER 49 HA SER 49 6.900 -8.360 10.400 283 HB3 SER 49 2HB SER 49 7.269 -9.528 12.699 284 HG SER 49 HG SER 49 9.265 -8.269 12.938 285 H SER 50 H SER 50 4.095 -7.150 11.550 286 HA SER 50 HA SER 50 2.569 -9.423 10.871 287 HB3 SER 50 2HB SER 50 1.668 -9.276 13.496 288 HG SER 50 HG SER 50 2.741 -11.371 13.620 289 HA PRO 51 HA PRO 51 0.442 -5.313 10.808 290 HB3 PRO 51 2HB PRO 51 1.111 -4.946 8.640 291 HG3 PRO 51 2HG PRO 51 1.690 -6.716 7.248 292 HD3 PRO 51 2HD PRO 51 2.963 -7.235 9.098 293 H LYS 52 H LYS 52 -1.468 -5.300 11.795 294 HA LYS 52 HA LYS 52 -3.423 -7.399 11.121 295 HB3 LYS 52 2HB LYS 52 -4.234 -7.345 13.326 296 HG3 LYS 52 2HG LYS 52 -1.277 -7.196 13.193 297 HD3 LYS 52 2HD LYS 52 -2.463 -7.722 15.856 298 HE3 LYS 52 2HE LYS 52 0.075 -6.474 14.820 299 HZ1 LYS 52 3HZ LYS 52 0.558 -5.712 16.836 300 HZ2 LYS 52 1HZ LYS 52 0.023 -7.123 17.602 301 HZ3 LYS 52 2HZ LYS 52 -1.079 -5.898 17.223 302 H CYS 53 H CYS 53 -3.611 -4.193 12.664 303 HA CYS 53 HA CYS 53 -4.704 -2.626 10.792 304 HB3 CYS 53 2HB CYS 53 -6.725 -4.641 11.694 305 H THR 54 H THR 54 -3.971 -1.018 12.103 306 HA THR 54 HA THR 54 -4.034 -0.567 14.720 307 HB THR 54 HB THR 54 -4.114 1.171 12.421 308 HG1 THR 54 1HG THR 54 -2.505 0.730 14.279 309 HG21 THR 54 3HG2 THR 54 -5.606 2.094 14.873 310 HG22 THR 54 1HG2 THR 54 -6.190 2.048 13.211 311 HG23 THR 54 2HG2 THR 54 -4.932 3.195 13.672 312 H ALA 55 H ALA 55 -6.867 -0.350 12.634 313 HA ALA 55 HA ALA 55 -8.691 0.773 14.399 314 HB1 ALA 55 3HB ALA 55 -9.816 -1.366 12.759 315 HB2 ALA 55 1HB ALA 55 -10.189 0.357 12.790 316 HB3 ALA 55 2HB ALA 55 -8.812 -0.230 11.859 317 H CYS 56 H CYS 56 -8.786 -2.693 13.620 318 HA CYS 56 HA CYS 56 -9.411 -3.216 16.451 319 HB3 CYS 56 2HB CYS 56 -11.307 -3.715 15.030 320 H GLN 57 H GLN 57 -7.401 -4.031 13.750 321 HA GLN 57 HA GLN 57 -5.344 -5.066 13.775 322 HB3 GLN 57 2HB GLN 57 -4.356 -5.842 15.741 323 HG3 GLN 57 2HG GLN 57 -6.093 -4.294 17.437 324 HE21 GLN 57 1HE2 GLN 57 -3.206 -4.275 15.389 325 HE22 GLN 57 2HE2 GLN 57 -2.131 -3.690 16.608 326 H GLU 58 H GLU 58 -6.113 -6.387 12.117 327 HA GLU 58 HA GLU 58 -6.829 -9.110 12.975 328 HB3 GLU 58 2HB GLU 58 -8.092 -7.398 10.862 329 HG3 GLU 58 2HG GLU 58 -7.378 -9.551 9.793 330 H SER 59 H SER 59 -6.155 -7.565 9.841 331 HA SER 59 HA SER 59 -3.564 -8.659 9.551 332 HB3 SER 59 2HB SER 59 -4.947 -10.752 9.381 333 HG SER 59 HG SER 59 -6.652 -10.617 8.174 334 H ILE 60 H ILE 60 -2.506 -7.666 7.919 335 HA ILE 60 HA ILE 60 -4.084 -6.314 5.844 336 HB ILE 60 HB ILE 60 -1.720 -4.840 6.836 337 HG13 ILE 60 2HG1 ILE 60 -2.916 -5.625 8.912 338 HG21 ILE 60 1HG2 ILE 60 -4.197 -4.353 5.385 339 HG22 ILE 60 2HG2 ILE 60 -3.849 -3.120 6.596 340 HG23 ILE 60 3HG2 ILE 60 -2.666 -3.480 5.339 341 HD11 ILE 60 3HD1 ILE 60 -3.239 -2.663 8.567 342 HD12 ILE 60 1HD1 ILE 60 -2.910 -3.565 10.046 343 HD13 ILE 60 2HD1 ILE 60 -1.670 -3.435 8.798 344 H VAL 61 H VAL 61 -3.395 -6.963 3.925 345 HA VAL 61 HA VAL 61 -0.516 -7.279 3.469 346 HB VAL 61 HB VAL 61 -2.600 -9.323 2.691 347 HG11 VAL 61 1HG1 VAL 61 -1.256 -9.570 0.897 348 HG12 VAL 61 2HG1 VAL 61 0.110 -8.769 1.674 349 HG13 VAL 61 3HG1 VAL 61 -0.246 -10.458 2.037 350 HG21 VAL 61 3HG2 VAL 61 -0.240 -9.454 4.563 351 HG22 VAL 61 1HG2 VAL 61 -1.947 -9.549 4.997 352 HG23 VAL 61 2HG2 VAL 61 -1.200 -10.845 4.062 353 H LYS 62 H LYS 62 0.163 -6.462 1.577 354 HA LYS 62 HA LYS 62 -1.433 -4.793 0.034 355 HB3 LYS 62 2HB LYS 62 0.880 -4.424 -0.096 356 HG3 LYS 62 2HG LYS 62 1.201 -7.294 -0.945 357 HD3 LYS 62 2HD LYS 62 2.963 -4.930 -1.201 358 HE3 LYS 62 2HE LYS 62 3.808 -6.709 0.621 359 HZ1 LYS 62 3HZ LYS 62 3.898 -8.169 -1.740 360 HZ2 LYS 62 1HZ LYS 62 4.544 -8.596 -0.236 361 HZ3 LYS 62 2HZ LYS 62 5.498 -7.774 -1.364 362 H ASP 63 H ASP 63 -0.634 -8.194 -0.402 363 HA ASP 63 HA ASP 63 -1.740 -8.461 -2.997 364 HB3 ASP 63 2HB ASP 63 -1.608 -10.711 -1.006 365 H LYS 64 H LYS 64 -3.045 -8.982 0.251 366 HA LYS 64 HA LYS 64 -5.637 -9.747 -0.796 367 HB3 LYS 64 2HB LYS 64 -6.262 -10.179 1.450 368 HG3 LYS 64 2HG LYS 64 -4.483 -11.519 2.403 369 HD3 LYS 64 2HD LYS 64 -4.322 -11.731 -0.599 370 HE3 LYS 64 2HE LYS 64 -3.915 -13.588 1.707 371 HZ1 LYS 64 3HZ LYS 64 -4.223 -14.736 -0.961 372 HZ2 LYS 64 1HZ LYS 64 -5.638 -14.377 -0.107 373 HZ3 LYS 64 2HZ LYS 64 -4.497 -15.435 0.555 374 H VAL 65 H VAL 65 -4.093 -6.882 -0.477 375 HA VAL 65 HA VAL 65 -6.376 -5.349 0.489 376 HB VAL 65 HB VAL 65 -3.547 -4.903 0.358 377 HG11 VAL 65 1HG1 VAL 65 -5.242 -2.768 -0.933 378 HG12 VAL 65 2HG1 VAL 65 -3.573 -2.555 -0.402 379 HG13 VAL 65 3HG1 VAL 65 -3.948 -3.692 -1.697 380 HG21 VAL 65 3HG2 VAL 65 -4.452 -2.800 1.706 381 HG22 VAL 65 1HG2 VAL 65 -5.929 -3.764 1.712 382 HG23 VAL 65 2HG2 VAL 65 -4.444 -4.422 2.397 383 H PHE 66 H PHE 66 -7.518 -3.863 -0.740 384 HA PHE 66 HA PHE 66 -6.899 -3.435 -3.518 385 HB3 PHE 66 2HB PHE 66 -8.025 -5.283 -4.198 386 HD1 PHE 66 2HD PHE 66 -10.806 -4.536 -1.918 387 HD2 PHE 66 1HD PHE 66 -7.556 -7.143 -2.785 388 HE1 PHE 66 2HE PHE 66 -11.674 -6.155 -0.282 389 HE2 PHE 66 1HE PHE 66 -8.418 -8.767 -1.150 390 HZ PHE 66 HZ PHE 66 -10.479 -8.274 0.105 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -26.200 23.921 -4.250 2 HA2 GLY 1 1HA GLY 1 -28.836 24.266 -5.024 3 HA3 GLY 1 2HA GLY 1 -28.039 25.208 -3.772 4 H SER 2 H SER 2 -28.779 27.219 -4.164 5 HA SER 2 HA SER 2 -29.063 29.233 -5.182 6 HB3 SER 2 2HB SER 2 -27.285 29.086 -7.398 7 HG SER 2 HG SER 2 -27.635 30.847 -5.894 8 H SER 3 H SER 3 -29.717 30.311 -7.250 9 HA SER 3 HA SER 3 -31.796 28.882 -8.476 10 HB3 SER 3 2HB SER 3 -30.472 31.517 -8.965 11 HG SER 3 HG SER 3 -31.780 31.845 -10.773 12 H GLY 4 H GLY 4 -31.387 27.098 -9.642 13 HA2 GLY 4 1HA GLY 4 -29.482 27.369 -11.883 14 HA3 GLY 4 2HA GLY 4 -29.569 25.904 -10.916 15 H SER 5 H SER 5 -29.864 25.089 -13.219 16 HA SER 5 HA SER 5 -32.444 25.509 -14.418 17 HB3 SER 5 2HB SER 5 -30.206 23.571 -15.039 18 HG SER 5 HG SER 5 -31.367 23.133 -16.933 19 H SER 6 H SER 6 -30.901 22.440 -13.483 20 HA SER 6 HA SER 6 -33.141 21.663 -11.853 21 HB3 SER 6 2HB SER 6 -33.870 21.246 -14.261 22 HG SER 6 HG SER 6 -32.506 20.170 -15.428 23 H GLY 7 H GLY 7 -32.762 19.738 -10.664 24 HA2 GLY 7 1HA GLY 7 -31.330 17.754 -10.351 25 HA3 GLY 7 2HA GLY 7 -29.975 18.765 -10.830 26 H PHE 8 H PHE 8 -28.709 19.137 -9.144 27 HA PHE 8 HA PHE 8 -28.045 19.316 -6.948 28 HB3 PHE 8 2HB PHE 8 -28.281 21.488 -6.397 29 HD1 PHE 8 2HD PHE 8 -27.280 21.448 -8.838 30 HD2 PHE 8 1HD PHE 8 -31.276 22.540 -7.859 31 HE1 PHE 8 2HE PHE 8 -27.450 22.704 -10.946 32 HE2 PHE 8 1HE PHE 8 -31.453 23.796 -9.967 33 HZ PHE 8 HZ PHE 8 -29.538 23.880 -11.513 34 H VAL 9 H VAL 9 -30.111 17.332 -7.328 35 HA VAL 9 HA VAL 9 -31.076 17.219 -4.579 36 HB VAL 9 HB VAL 9 -32.898 18.232 -6.014 37 HG11 VAL 9 1HG1 VAL 9 -33.612 17.239 -7.873 38 HG12 VAL 9 2HG1 VAL 9 -32.238 16.141 -7.725 39 HG13 VAL 9 3HG1 VAL 9 -33.805 15.691 -7.049 40 HG21 VAL 9 3HG2 VAL 9 -33.574 15.580 -4.746 41 HG22 VAL 9 1HG2 VAL 9 -33.282 17.071 -3.850 42 HG23 VAL 9 2HG2 VAL 9 -34.648 16.962 -4.960 43 H LYS 10 H LYS 10 -31.885 15.059 -3.998 44 HA LYS 10 HA LYS 10 -31.619 12.805 -3.853 45 HB3 LYS 10 2HB LYS 10 -31.136 12.254 -6.671 46 HG3 LYS 10 2HG LYS 10 -32.168 10.687 -5.021 47 HD3 LYS 10 2HD LYS 10 -34.584 12.453 -5.417 48 HE3 LYS 10 2HE LYS 10 -35.321 10.209 -5.279 49 HZ1 LYS 10 3HZ LYS 10 -33.545 8.937 -4.583 50 HZ2 LYS 10 1HZ LYS 10 -34.557 8.883 -3.228 51 HZ3 LYS 10 2HZ LYS 10 -33.215 9.912 -3.241 52 H THR 11 H THR 11 -30.106 10.933 -4.991 53 HA THR 11 HA THR 11 -27.997 10.092 -5.185 54 HB THR 11 HB THR 11 -26.544 12.591 -5.594 55 HG1 THR 11 1HG THR 11 -27.674 12.741 -7.773 56 HG21 THR 11 3HG2 THR 11 -26.886 9.946 -6.920 57 HG22 THR 11 1HG2 THR 11 -25.413 10.762 -6.397 58 HG23 THR 11 2HG2 THR 11 -26.233 11.280 -7.870 59 H VAL 12 H VAL 12 -26.150 9.770 -3.916 60 HA VAL 12 HA VAL 12 -25.903 11.533 -1.567 61 HB VAL 12 HB VAL 12 -27.037 9.264 -1.153 62 HG11 VAL 12 1HG1 VAL 12 -25.181 8.132 -2.576 63 HG12 VAL 12 2HG1 VAL 12 -24.252 8.178 -1.076 64 HG13 VAL 12 3HG1 VAL 12 -25.791 7.318 -1.136 65 HG21 VAL 12 3HG2 VAL 12 -24.572 9.768 0.494 66 HG22 VAL 12 1HG2 VAL 12 -25.979 10.829 0.545 67 HG23 VAL 12 2HG2 VAL 12 -26.132 9.138 1.023 68 H GLU 13 H GLU 13 -23.917 12.285 -1.219 69 HA GLU 13 HA GLU 13 -21.680 10.997 -2.634 70 HB3 GLU 13 2HB GLU 13 -20.552 13.235 -2.374 71 HG3 GLU 13 2HG GLU 13 -22.249 14.462 -3.942 72 H ASP 14 H ASP 14 -20.263 9.940 -1.430 73 HA ASP 14 HA ASP 14 -19.795 10.842 1.331 74 HB3 ASP 14 2HB ASP 14 -19.345 8.041 1.211 75 H LYS 15 H LYS 15 -17.838 9.013 2.013 76 HA LYS 15 HA LYS 15 -15.813 8.674 0.087 77 HB3 LYS 15 2HB LYS 15 -15.448 10.987 -0.001 78 HG3 LYS 15 2HG LYS 15 -15.263 11.332 2.955 79 HD3 LYS 15 2HD LYS 15 -16.222 13.227 0.821 80 HE3 LYS 15 2HE LYS 15 -14.997 14.709 2.710 81 HZ1 LYS 15 3HZ LYS 15 -17.064 15.469 2.331 82 HZ2 LYS 15 1HZ LYS 15 -17.446 14.622 3.746 83 HZ3 LYS 15 2HZ LYS 15 -17.750 13.925 2.235 84 H TYR 16 H TYR 16 -13.650 8.190 1.170 85 HA TYR 16 HA TYR 16 -14.194 6.775 3.690 86 HB3 TYR 16 2HB TYR 16 -12.451 5.240 3.102 87 HD1 TYR 16 2HD TYR 16 -13.183 6.383 -0.310 88 HD2 TYR 16 1HD TYR 16 -14.361 3.789 2.850 89 HE1 TYR 16 2HE TYR 16 -14.642 5.160 -1.866 90 HE2 TYR 16 1HE TYR 16 -15.824 2.558 1.301 91 HH TYR 16 HH TYR 16 -16.543 3.715 -1.859 92 H LYS 17 H LYS 17 -12.234 6.517 5.124 93 HA LYS 17 HA LYS 17 -10.328 8.706 5.019 94 HB3 LYS 17 2HB LYS 17 -12.516 8.495 7.047 95 HG3 LYS 17 2HG LYS 17 -10.782 10.353 8.112 96 HD3 LYS 17 2HD LYS 17 -10.382 8.259 9.746 97 HE3 LYS 17 2HE LYS 17 -12.393 10.312 9.442 98 HZ1 LYS 17 3HZ LYS 17 -13.220 7.750 10.678 99 HZ2 LYS 17 1HZ LYS 17 -14.033 8.641 9.492 100 HZ3 LYS 17 2HZ LYS 17 -13.938 9.229 11.074 101 H CYS 18 H CYS 18 -8.431 8.262 6.066 102 HA CYS 18 HA CYS 18 -7.825 5.571 6.636 103 HB3 CYS 18 2HB CYS 18 -6.327 8.128 7.224 104 H GLU 19 H GLU 19 -7.619 4.449 8.521 105 HA GLU 19 HA GLU 19 -8.999 5.532 10.823 106 HB3 GLU 19 2HB GLU 19 -8.171 3.099 11.652 107 HG3 GLU 19 2HG GLU 19 -10.257 2.188 11.019 108 H LYS 20 H LYS 20 -6.322 6.552 9.998 109 HA LYS 20 HA LYS 20 -4.994 6.184 12.595 110 HB3 LYS 20 2HB LYS 20 -3.064 6.756 10.540 111 HG3 LYS 20 2HG LYS 20 -3.488 4.558 12.521 112 HD3 LYS 20 2HD LYS 20 -1.181 4.685 10.586 113 HE3 LYS 20 2HE LYS 20 -0.282 2.976 11.727 114 HZ1 LYS 20 3HZ LYS 20 -2.304 3.735 13.765 115 HZ2 LYS 20 1HZ LYS 20 -0.801 4.481 13.541 116 HZ3 LYS 20 2HZ LYS 20 -0.878 2.875 14.064 117 H CYS 21 H CYS 21 -4.660 8.148 9.631 118 HA CYS 21 HA CYS 21 -4.261 10.510 11.323 119 HB3 CYS 21 2HB CYS 21 -2.505 10.254 9.734 120 H HIS 22 H HIS 22 -6.779 8.981 10.011 121 HA HIS 22 HA HIS 22 -8.900 9.560 9.427 122 HB3 HIS 22 2HB HIS 22 -9.757 11.083 10.830 123 HD2 HIS 22 2HD HIS 22 -7.585 9.431 12.443 124 HE1 HIS 22 1HE HIS 22 -6.244 13.154 13.972 125 HE2 HIS 22 2HE HIS 22 -6.154 10.650 14.221 126 H LEU 23 H LEU 23 -6.607 10.025 7.578 127 HA LEU 23 HA LEU 23 -7.150 12.349 6.036 128 HB3 LEU 23 2HB LEU 23 -5.916 10.707 4.279 129 HG LEU 23 HG LEU 23 -3.694 11.363 5.603 130 HD11 LEU 23 1HD1 LEU 23 -5.484 13.222 4.049 131 HD12 LEU 23 2HD1 LEU 23 -4.231 12.162 3.405 132 HD13 LEU 23 3HD1 LEU 23 -3.788 13.538 4.415 133 HD21 LEU 23 3HD2 LEU 23 -3.888 13.073 7.112 134 HD22 LEU 23 1HD2 LEU 23 -5.352 12.163 7.485 135 HD23 LEU 23 2HD2 LEU 23 -5.444 13.607 6.476 136 H VAL 24 H VAL 24 -8.948 12.682 4.921 137 HA VAL 24 HA VAL 24 -10.749 10.613 4.184 138 HB VAL 24 HB VAL 24 -10.628 13.510 3.341 139 HG11 VAL 24 1HG1 VAL 24 -12.711 11.403 2.805 140 HG12 VAL 24 2HG1 VAL 24 -13.017 13.135 2.662 141 HG13 VAL 24 3HG1 VAL 24 -11.815 12.362 1.628 142 HG21 VAL 24 3HG2 VAL 24 -11.290 12.383 5.775 143 HG22 VAL 24 1HG2 VAL 24 -11.737 13.994 5.215 144 HG23 VAL 24 2HG2 VAL 24 -12.852 12.645 4.999 145 H LEU 25 H LEU 25 -10.437 9.213 2.591 146 HA LEU 25 HA LEU 25 -9.140 10.162 0.121 147 HB3 LEU 25 2HB LEU 25 -7.646 8.538 0.271 148 HG LEU 25 HG LEU 25 -8.960 8.041 2.896 149 HD11 LEU 25 1HD1 LEU 25 -8.263 5.948 3.155 150 HD12 LEU 25 2HD1 LEU 25 -6.673 6.321 2.493 151 HD13 LEU 25 3HD1 LEU 25 -8.000 5.902 1.411 152 HD21 LEU 25 3HD2 LEU 25 -6.617 8.417 3.653 153 HD22 LEU 25 1HD2 LEU 25 -7.318 9.778 2.778 154 HD23 LEU 25 2HD2 LEU 25 -6.169 8.709 1.973 155 H CYS 26 H CYS 26 -9.711 8.794 -1.809 156 HA CYS 26 HA CYS 26 -12.600 8.301 -1.779 157 HB3 CYS 26 2HB CYS 26 -10.690 8.722 -4.087 158 H SER 27 H SER 27 -9.533 6.798 -2.670 159 HA SER 27 HA SER 27 -10.931 4.208 -2.793 160 HB3 SER 27 2HB SER 27 -8.647 5.156 -4.540 161 HG SER 27 HG SER 27 -8.601 3.124 -5.362 162 HA PRO 28 HA PRO 28 -7.670 4.074 0.486 163 HB3 PRO 28 2HB PRO 28 -9.236 4.464 2.122 164 HG3 PRO 28 2HG PRO 28 -11.484 3.984 1.769 165 HD3 PRO 28 2HD PRO 28 -11.034 5.199 -0.138 166 H LYS 29 H LYS 29 -7.536 1.821 2.010 167 HA LYS 29 HA LYS 29 -7.376 -0.367 0.043 168 HB3 LYS 29 2HB LYS 29 -5.254 -0.956 0.730 169 HG3 LYS 29 2HG LYS 29 -3.828 0.969 0.946 170 HD3 LYS 29 2HD LYS 29 -5.839 2.270 -0.722 171 HE3 LYS 29 2HE LYS 29 -3.037 1.358 -0.862 172 HZ1 LYS 29 3HZ LYS 29 -4.847 1.272 -3.169 173 HZ2 LYS 29 1HZ LYS 29 -3.507 0.300 -2.814 174 HZ3 LYS 29 2HZ LYS 29 -3.282 1.873 -3.395 175 H GLN 30 H GLN 30 -9.637 -0.491 1.191 176 HA GLN 30 HA GLN 30 -10.155 -1.252 3.719 177 HB3 GLN 30 2HB GLN 30 -11.368 -3.106 1.787 178 HG3 GLN 30 2HG GLN 30 -12.475 -0.997 3.624 179 HE21 GLN 30 1HE2 GLN 30 -14.434 -3.490 3.763 180 HE22 GLN 30 2HE2 GLN 30 -15.604 -3.077 2.560 181 H THR 31 H THR 31 -8.949 -2.490 5.002 182 HA THR 31 HA THR 31 -7.288 -4.592 4.157 183 HB THR 31 HB THR 31 -6.850 -5.039 6.431 184 HG1 THR 31 1HG THR 31 -9.426 -3.934 6.889 185 HG21 THR 31 3HG2 THR 31 -6.516 -2.584 5.494 186 HG22 THR 31 1HG2 THR 31 -6.147 -2.987 7.171 187 HG23 THR 31 2HG2 THR 31 -7.672 -2.197 6.770 188 H GLU 32 H GLU 32 -7.991 -6.541 6.214 189 HA GLU 32 HA GLU 32 -10.127 -7.912 4.743 190 HB3 GLU 32 2HB GLU 32 -8.348 -9.226 6.772 191 HG3 GLU 32 2HG GLU 32 -8.564 -10.946 4.714 192 H CYS 33 H CYS 33 -10.181 -5.881 7.109 193 HA CYS 33 HA CYS 33 -11.994 -7.468 8.807 194 HB3 CYS 33 2HB CYS 33 -9.866 -6.610 9.894 195 H GLY 34 H GLY 34 -11.502 -4.531 6.997 196 HA2 GLY 34 1HA GLY 34 -13.751 -3.795 6.035 197 HA3 GLY 34 2HA GLY 34 -14.214 -3.630 7.722 198 H HIS 35 H HIS 35 -12.015 -2.464 8.842 199 HA HIS 35 HA HIS 35 -12.363 0.222 8.396 200 HB3 HIS 35 2HB HIS 35 -10.091 0.506 9.467 201 HD2 HIS 35 2HD HIS 35 -12.165 1.443 11.227 202 HE1 HIS 35 1HE HIS 35 -12.381 -2.218 13.360 203 HE2 HIS 35 2HE HIS 35 -13.109 0.192 13.285 204 H ARG 36 H ARG 36 -10.396 1.713 7.753 205 HA ARG 36 HA ARG 36 -9.083 0.761 5.328 206 HB3 ARG 36 2HB ARG 36 -9.809 2.897 4.155 207 HG3 ARG 36 2HG ARG 36 -11.549 0.571 4.690 208 HD3 ARG 36 2HD ARG 36 -12.728 2.504 2.835 209 HE ARG 36 HE ARG 36 -14.245 0.840 3.286 210 HH11 ARG 36 1HH1 ARG 36 -13.033 2.155 6.274 211 HH12 ARG 36 2HH1 ARG 36 -14.188 1.321 7.260 212 HH21 ARG 36 1HH2 ARG 36 -15.771 -0.262 4.574 213 HH22 ARG 36 2HH2 ARG 36 -15.744 -0.054 6.292 214 H PHE 37 H PHE 37 -7.272 2.001 4.701 215 HA PHE 37 HA PHE 37 -6.447 4.125 6.547 216 HB3 PHE 37 2HB PHE 37 -4.094 3.069 6.415 217 HD1 PHE 37 2HD PHE 37 -6.599 0.552 7.432 218 HD2 PHE 37 1HD PHE 37 -4.029 3.709 8.678 219 HE1 PHE 37 2HE PHE 37 -7.025 -0.034 9.783 220 HE2 PHE 37 1HE PHE 37 -4.451 3.126 11.031 221 HZ PHE 37 HZ PHE 37 -5.952 1.254 11.587 222 H CYS 38 H CYS 38 -4.351 5.176 5.702 223 HA CYS 38 HA CYS 38 -4.782 5.754 2.872 224 HB3 CYS 38 2HB CYS 38 -4.653 7.593 4.586 225 H GLU 39 H GLU 39 -2.799 6.183 1.534 226 HA GLU 39 HA GLU 39 -1.332 3.942 1.070 227 HB3 GLU 39 2HB GLU 39 0.466 5.681 0.206 228 HG3 GLU 39 2HG GLU 39 -2.294 5.666 -0.989 229 H SER 40 H SER 40 -0.045 6.768 2.831 230 HA SER 40 HA SER 40 2.351 5.683 3.648 231 HB3 SER 40 2HB SER 40 1.631 7.242 5.811 232 HG SER 40 HG SER 40 2.774 8.848 4.709 233 H CYS 41 H CYS 41 -0.057 6.221 6.162 234 HA CYS 41 HA CYS 41 0.717 4.490 8.032 235 HB3 CYS 41 2HB CYS 41 -1.644 4.192 8.704 236 H MET 42 H MET 42 -1.217 3.551 5.207 237 HA MET 42 HA MET 42 -1.590 0.868 5.810 238 HB3 MET 42 2HB MET 42 -1.268 2.267 3.157 239 HG3 MET 42 2HG MET 42 -0.752 -0.075 2.789 240 HE1 MET 42 3HE MET 42 -3.485 0.247 5.660 241 HE2 MET 42 1HE MET 42 -4.268 0.512 4.101 242 HE3 MET 42 2HE MET 42 -4.650 -0.927 5.045 243 H ALA 43 H ALA 43 0.968 2.252 3.739 244 HA ALA 43 HA ALA 43 2.419 -0.092 3.357 245 HB1 ALA 43 3HB ALA 43 2.865 2.757 2.971 246 HB2 ALA 43 1HB ALA 43 4.344 1.874 3.348 247 HB3 ALA 43 2HB ALA 43 3.352 1.388 1.972 248 H ALA 44 H ALA 44 2.391 2.146 6.047 249 HA ALA 44 HA ALA 44 4.768 1.308 7.309 250 HB1 ALA 44 3HB ALA 44 3.547 2.211 9.399 251 HB2 ALA 44 1HB ALA 44 3.938 3.327 8.090 252 HB3 ALA 44 2HB ALA 44 2.296 2.703 8.258 253 H LEU 45 H LEU 45 1.396 0.506 8.172 254 HA LEU 45 HA LEU 45 1.933 -1.433 10.064 255 HB3 LEU 45 2HB LEU 45 -0.301 -2.278 9.658 256 HG LEU 45 HG LEU 45 -0.258 0.717 9.298 257 HD11 LEU 45 1HD1 LEU 45 -2.566 0.662 10.081 258 HD12 LEU 45 2HD1 LEU 45 -2.526 -1.101 10.099 259 HD13 LEU 45 3HD1 LEU 45 -2.386 -0.232 8.570 260 HD21 LEU 45 3HD2 LEU 45 0.647 -0.705 11.418 261 HD22 LEU 45 1HD2 LEU 45 -1.050 -0.502 11.851 262 HD23 LEU 45 2HD2 LEU 45 -0.048 0.912 11.527 263 H LEU 46 H LEU 46 1.261 -1.967 6.602 264 HA LEU 46 HA LEU 46 1.564 -4.692 6.484 265 HB3 LEU 46 2HB LEU 46 2.230 -4.396 4.144 266 HG LEU 46 HG LEU 46 0.110 -2.392 4.917 267 HD11 LEU 46 1HD1 LEU 46 0.715 -3.662 2.250 268 HD12 LEU 46 2HD1 LEU 46 0.993 -1.975 2.680 269 HD13 LEU 46 3HD1 LEU 46 -0.652 -2.608 2.613 270 HD21 LEU 46 3HD2 LEU 46 0.170 -5.314 4.705 271 HD22 LEU 46 1HD2 LEU 46 -1.146 -4.543 3.820 272 HD23 LEU 46 2HD2 LEU 46 -0.961 -4.257 5.550 273 H SER 47 H SER 47 4.073 -2.227 6.587 274 HA SER 47 HA SER 47 6.186 -4.192 6.276 275 HB3 SER 47 2HB SER 47 7.171 -1.631 7.120 276 HG SER 47 HG SER 47 7.978 -1.704 4.916 277 H SER 48 H SER 48 4.356 -4.303 8.589 278 HA SER 48 HA SER 48 6.260 -3.822 10.780 279 HB3 SER 48 2HB SER 48 3.282 -4.316 10.997 280 HG SER 48 HG SER 48 3.571 -3.987 13.077 281 H SER 49 H SER 49 5.787 -6.176 8.792 282 HA SER 49 HA SER 49 6.280 -8.408 8.891 283 HB3 SER 49 2HB SER 49 6.201 -8.642 11.836 284 HG SER 49 HG SER 49 8.528 -9.275 10.950 285 H SER 50 H SER 50 4.180 -7.571 11.653 286 HA SER 50 HA SER 50 2.208 -9.493 10.604 287 HB3 SER 50 2HB SER 50 2.549 -8.907 13.542 288 HG SER 50 HG SER 50 1.743 -11.357 13.039 289 HA PRO 51 HA PRO 51 0.324 -5.258 10.914 290 HB3 PRO 51 2HB PRO 51 0.799 -4.803 8.712 291 HG3 PRO 51 2HG PRO 51 1.154 -6.517 7.182 292 HD3 PRO 51 2HD PRO 51 2.572 -7.191 8.869 293 H LYS 52 H LYS 52 -1.625 -4.989 11.811 294 HA LYS 52 HA LYS 52 -3.645 -7.099 11.406 295 HB3 LYS 52 2HB LYS 52 -4.404 -6.768 13.656 296 HG3 LYS 52 2HG LYS 52 -1.703 -7.522 13.147 297 HD3 LYS 52 2HD LYS 52 -1.924 -6.686 15.977 298 HE3 LYS 52 2HE LYS 52 0.497 -6.187 14.383 299 HZ1 LYS 52 3HZ LYS 52 -0.211 -7.280 17.008 300 HZ2 LYS 52 1HZ LYS 52 0.922 -6.090 16.604 301 HZ3 LYS 52 2HZ LYS 52 1.278 -7.722 16.335 302 H CYS 53 H CYS 53 -3.717 -3.838 12.829 303 HA CYS 53 HA CYS 53 -4.826 -2.298 10.950 304 HB3 CYS 53 2HB CYS 53 -6.863 -4.264 11.926 305 H THR 54 H THR 54 -3.949 -0.753 12.298 306 HA THR 54 HA THR 54 -4.058 -0.269 14.905 307 HB THR 54 HB THR 54 -3.926 1.437 12.594 308 HG1 THR 54 1HG THR 54 -3.087 1.852 15.289 309 HG21 THR 54 3HG2 THR 54 -5.470 2.507 14.954 310 HG22 THR 54 1HG2 THR 54 -5.985 2.450 13.268 311 HG23 THR 54 2HG2 THR 54 -4.680 3.532 13.755 312 H ALA 55 H ALA 55 -6.815 0.024 12.748 313 HA ALA 55 HA ALA 55 -8.620 1.344 14.389 314 HB1 ALA 55 3HB ALA 55 -9.771 -0.861 12.831 315 HB2 ALA 55 1HB ALA 55 -10.133 0.865 12.801 316 HB3 ALA 55 2HB ALA 55 -8.742 0.240 11.914 317 H CYS 56 H CYS 56 -8.837 -2.164 13.837 318 HA CYS 56 HA CYS 56 -9.564 -2.469 16.677 319 HB3 CYS 56 2HB CYS 56 -11.453 -2.959 15.235 320 H GLN 57 H GLN 57 -7.466 -3.455 14.137 321 HA GLN 57 HA GLN 57 -5.479 -4.602 14.281 322 HB3 GLN 57 2HB GLN 57 -5.918 -5.914 16.858 323 HG3 GLN 57 2HG GLN 57 -3.790 -4.344 15.528 324 HE21 GLN 57 1HE2 GLN 57 -4.308 -2.454 16.987 325 HE22 GLN 57 2HE2 GLN 57 -3.494 -2.407 18.509 326 H GLU 58 H GLU 58 -6.309 -5.928 12.633 327 HA GLU 58 HA GLU 58 -7.143 -8.595 13.563 328 HB3 GLU 58 2HB GLU 58 -8.312 -8.596 11.183 329 HG3 GLU 58 2HG GLU 58 -9.982 -8.932 12.608 330 H SER 59 H SER 59 -6.643 -7.555 10.247 331 HA SER 59 HA SER 59 -3.963 -8.522 10.051 332 HB3 SER 59 2HB SER 59 -5.228 -10.246 8.217 333 HG SER 59 HG SER 59 -4.498 -11.580 10.392 334 H ILE 60 H ILE 60 -3.092 -7.225 8.591 335 HA ILE 60 HA ILE 60 -4.776 -6.245 6.385 336 HB ILE 60 HB ILE 60 -2.171 -4.950 7.019 337 HG13 ILE 60 2HG1 ILE 60 -3.369 -5.334 9.210 338 HG21 ILE 60 1HG2 ILE 60 -2.986 -3.574 5.477 339 HG22 ILE 60 2HG2 ILE 60 -4.545 -4.395 5.498 340 HG23 ILE 60 3HG2 ILE 60 -4.222 -3.088 6.636 341 HD11 ILE 60 3HD1 ILE 60 -2.112 -3.036 8.334 342 HD12 ILE 60 1HD1 ILE 60 -3.613 -2.460 9.057 343 HD13 ILE 60 2HD1 ILE 60 -2.505 -3.454 10.002 344 H VAL 61 H VAL 61 -4.251 -6.691 4.331 345 HA VAL 61 HA VAL 61 -1.549 -7.469 3.615 346 HB VAL 61 HB VAL 61 -3.876 -9.367 3.304 347 HG11 VAL 61 1HG1 VAL 61 -2.485 -10.776 1.977 348 HG12 VAL 61 2HG1 VAL 61 -2.451 -9.168 1.251 349 HG13 VAL 61 3HG1 VAL 61 -1.089 -9.727 2.222 350 HG21 VAL 61 3HG2 VAL 61 -3.035 -9.851 5.378 351 HG22 VAL 61 1HG2 VAL 61 -1.991 -10.865 4.381 352 HG23 VAL 61 2HG2 VAL 61 -1.408 -9.308 4.966 353 H LYS 62 H LYS 62 -1.071 -6.542 1.743 354 HA LYS 62 HA LYS 62 -2.778 -4.987 0.239 355 HB3 LYS 62 2HB LYS 62 -0.461 -4.667 -0.073 356 HG3 LYS 62 2HG LYS 62 0.103 -7.212 -1.445 357 HD3 LYS 62 2HD LYS 62 2.260 -6.930 -0.383 358 HE3 LYS 62 2HE LYS 62 2.725 -4.490 -1.102 359 HZ1 LYS 62 3HZ LYS 62 3.361 -5.751 -2.811 360 HZ2 LYS 62 1HZ LYS 62 1.882 -5.338 -3.523 361 HZ3 LYS 62 2HZ LYS 62 2.037 -6.795 -2.679 362 H ASP 63 H ASP 63 -1.694 -8.296 -0.521 363 HA ASP 63 HA ASP 63 -3.063 -8.722 -2.860 364 HB3 ASP 63 2HB ASP 63 -2.457 -10.617 -0.592 365 H LYS 64 H LYS 64 -4.307 -8.762 0.421 366 HA LYS 64 HA LYS 64 -6.967 -9.509 -0.547 367 HB3 LYS 64 2HB LYS 64 -7.518 -10.082 1.639 368 HG3 LYS 64 2HG LYS 64 -5.662 -11.286 2.668 369 HD3 LYS 64 2HD LYS 64 -4.949 -11.921 -0.058 370 HE3 LYS 64 2HE LYS 64 -5.101 -13.427 1.980 371 HZ1 LYS 64 3HZ LYS 64 -7.425 -14.491 2.049 372 HZ2 LYS 64 1HZ LYS 64 -7.964 -13.018 1.417 373 HZ3 LYS 64 2HZ LYS 64 -7.167 -13.057 2.908 374 H VAL 65 H VAL 65 -5.146 -6.766 0.187 375 HA VAL 65 HA VAL 65 -7.367 -5.125 1.059 376 HB VAL 65 HB VAL 65 -4.547 -4.915 1.183 377 HG11 VAL 65 1HG1 VAL 65 -4.192 -2.619 0.388 378 HG12 VAL 65 2HG1 VAL 65 -4.605 -3.716 -0.932 379 HG13 VAL 65 3HG1 VAL 65 -5.821 -2.610 -0.290 380 HG21 VAL 65 3HG2 VAL 65 -6.930 -3.603 2.301 381 HG22 VAL 65 1HG2 VAL 65 -5.487 -4.219 3.106 382 HG23 VAL 65 2HG2 VAL 65 -5.456 -2.635 2.331 383 H PHE 66 H PHE 66 -8.552 -3.763 -0.160 384 HA PHE 66 HA PHE 66 -8.379 -4.021 -3.028 385 HB3 PHE 66 2HB PHE 66 -10.379 -2.432 -2.937 386 HD1 PHE 66 1HD PHE 66 -10.317 -4.973 -0.219 387 HD2 PHE 66 2HD PHE 66 -11.642 -3.951 -4.133 388 HE1 PHE 66 1HE PHE 66 -11.662 -7.032 -0.298 389 HE2 PHE 66 2HE PHE 66 -12.989 -6.008 -4.218 390 HZ PHE 66 HZ PHE 66 -13.001 -7.551 -2.298 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -26.342 28.860 3.443 2 HA2 GLY 1 1HA GLY 1 -26.937 26.199 4.433 3 HA3 GLY 1 2HA GLY 1 -25.889 27.388 5.194 4 H SER 2 H SER 2 -27.366 26.125 6.921 5 HA SER 2 HA SER 2 -28.713 26.599 8.716 6 HB3 SER 2 2HB SER 2 -29.595 28.730 9.056 7 HG SER 2 HG SER 2 -27.237 28.607 8.006 8 H SER 3 H SER 3 -30.487 27.761 5.844 9 HA SER 3 HA SER 3 -32.834 26.274 6.640 10 HB3 SER 3 2HB SER 3 -32.560 27.649 3.986 11 HG SER 3 HG SER 3 -34.718 27.999 4.302 12 H GLY 4 H GLY 4 -30.085 25.736 4.693 13 HA2 GLY 4 1HA GLY 4 -31.407 23.676 3.089 14 HA3 GLY 4 2HA GLY 4 -29.766 24.262 2.871 15 H SER 5 H SER 5 -30.768 21.512 3.062 16 HA SER 5 HA SER 5 -29.377 20.640 5.507 17 HB3 SER 5 2HB SER 5 -30.893 18.561 4.147 18 HG SER 5 HG SER 5 -31.815 18.456 6.281 19 H SER 6 H SER 6 -29.600 20.272 2.032 20 HA SER 6 HA SER 6 -27.637 18.164 1.916 21 HB3 SER 6 2HB SER 6 -29.599 18.782 0.238 22 HG SER 6 HG SER 6 -28.570 20.838 -0.263 23 H GLY 7 H GLY 7 -25.535 18.321 1.065 24 HA2 GLY 7 1HA GLY 7 -24.321 20.958 1.486 25 HA3 GLY 7 2HA GLY 7 -23.470 19.421 1.479 26 H PHE 8 H PHE 8 -22.895 18.467 -0.497 27 HA PHE 8 HA PHE 8 -22.660 20.394 -2.675 28 HB3 PHE 8 2HB PHE 8 -21.410 17.652 -2.550 29 HD1 PHE 8 2HD PHE 8 -20.361 21.145 -3.320 30 HD2 PHE 8 1HD PHE 8 -20.783 17.141 -4.702 31 HE1 PHE 8 2HE PHE 8 -19.256 21.759 -5.431 32 HE2 PHE 8 1HE PHE 8 -19.679 17.750 -6.814 33 HZ PHE 8 HZ PHE 8 -18.916 20.062 -7.182 34 H VAL 9 H VAL 9 -24.921 20.237 -3.267 35 HA VAL 9 HA VAL 9 -26.407 19.615 -4.911 36 HB VAL 9 HB VAL 9 -24.154 18.257 -5.740 37 HG11 VAL 9 1HG1 VAL 9 -25.163 16.276 -4.474 38 HG12 VAL 9 2HG1 VAL 9 -26.366 16.229 -5.764 39 HG13 VAL 9 3HG1 VAL 9 -24.657 16.008 -6.142 40 HG21 VAL 9 3HG2 VAL 9 -25.508 19.467 -7.255 41 HG22 VAL 9 1HG2 VAL 9 -25.552 17.790 -7.799 42 HG23 VAL 9 2HG2 VAL 9 -26.918 18.465 -6.912 43 H LYS 10 H LYS 10 -27.900 17.618 -5.377 44 HA LYS 10 HA LYS 10 -29.220 16.976 -3.004 45 HB3 LYS 10 2HB LYS 10 -30.083 15.019 -4.680 46 HG3 LYS 10 2HG LYS 10 -31.398 16.942 -3.714 47 HD3 LYS 10 2HD LYS 10 -31.796 18.663 -5.693 48 HE3 LYS 10 2HE LYS 10 -29.424 19.588 -4.394 49 HZ1 LYS 10 3HZ LYS 10 -31.788 20.612 -4.947 50 HZ2 LYS 10 1HZ LYS 10 -30.786 21.251 -3.743 51 HZ3 LYS 10 2HZ LYS 10 -32.060 20.220 -3.325 52 H THR 11 H THR 11 -29.462 14.997 -1.881 53 HA THR 11 HA THR 11 -28.731 13.111 -0.837 54 HB THR 11 HB THR 11 -26.936 12.133 -2.923 55 HG1 THR 11 1HG THR 11 -28.179 12.445 -4.606 56 HG21 THR 11 3HG2 THR 11 -29.250 11.189 -1.318 57 HG22 THR 11 1HG2 THR 11 -27.673 10.444 -1.571 58 HG23 THR 11 2HG2 THR 11 -28.905 10.348 -2.829 59 H VAL 12 H VAL 12 -26.987 12.344 0.385 60 HA VAL 12 HA VAL 12 -24.813 14.211 0.659 61 HB VAL 12 HB VAL 12 -25.687 11.777 2.171 62 HG11 VAL 12 1HG1 VAL 12 -23.579 12.651 3.638 63 HG12 VAL 12 2HG1 VAL 12 -23.526 11.273 2.537 64 HG13 VAL 12 3HG1 VAL 12 -22.962 12.856 1.999 65 HG21 VAL 12 3HG2 VAL 12 -25.650 13.421 4.050 66 HG22 VAL 12 1HG2 VAL 12 -25.233 14.671 2.877 67 HG23 VAL 12 2HG2 VAL 12 -26.777 13.828 2.757 68 H GLU 13 H GLU 13 -23.064 14.114 -0.579 69 HA GLU 13 HA GLU 13 -22.085 11.466 -1.424 70 HB3 GLU 13 2HB GLU 13 -21.012 12.695 -3.332 71 HG3 GLU 13 2HG GLU 13 -23.542 13.503 -4.126 72 H ASP 14 H ASP 14 -20.503 10.942 -0.042 73 HA ASP 14 HA ASP 14 -18.342 12.903 0.356 74 HB3 ASP 14 2HB ASP 14 -18.481 11.012 2.530 75 H LYS 15 H LYS 15 -16.536 11.337 1.671 76 HA LYS 15 HA LYS 15 -16.076 9.063 -0.140 77 HB3 LYS 15 2HB LYS 15 -13.912 9.698 -0.613 78 HG3 LYS 15 2HG LYS 15 -15.754 11.767 -0.866 79 HD3 LYS 15 2HD LYS 15 -13.900 13.651 -0.701 80 HE3 LYS 15 2HE LYS 15 -14.946 13.240 1.974 81 HZ1 LYS 15 3HZ LYS 15 -14.645 15.300 0.161 82 HZ2 LYS 15 1HZ LYS 15 -15.281 15.401 1.725 83 HZ3 LYS 15 2HZ LYS 15 -16.312 15.159 0.406 84 H TYR 16 H TYR 16 -13.646 8.247 0.978 85 HA TYR 16 HA TYR 16 -14.603 7.176 3.529 86 HB3 TYR 16 2HB TYR 16 -12.800 5.498 3.245 87 HD1 TYR 16 1HD TYR 16 -15.761 6.605 1.853 88 HD2 TYR 16 2HD TYR 16 -12.762 3.644 1.260 89 HE1 TYR 16 1HE TYR 16 -17.378 5.222 0.618 90 HE2 TYR 16 2HE TYR 16 -14.370 2.255 0.022 91 HH TYR 16 HH TYR 16 -17.757 3.036 -0.105 92 H LYS 17 H LYS 17 -12.354 6.482 4.822 93 HA LYS 17 HA LYS 17 -10.490 8.673 4.977 94 HB3 LYS 17 2HB LYS 17 -12.678 8.322 6.983 95 HG3 LYS 17 2HG LYS 17 -10.896 10.029 8.215 96 HD3 LYS 17 2HD LYS 17 -10.563 7.789 9.654 97 HE3 LYS 17 2HE LYS 17 -12.483 9.928 9.550 98 HZ1 LYS 17 3HZ LYS 17 -13.947 8.448 11.195 99 HZ2 LYS 17 1HZ LYS 17 -13.530 7.265 10.058 100 HZ3 LYS 17 2HZ LYS 17 -14.333 8.669 9.562 101 H CYS 18 H CYS 18 -8.597 8.097 5.961 102 HA CYS 18 HA CYS 18 -8.020 5.365 6.264 103 HB3 CYS 18 2HB CYS 18 -6.528 7.856 7.084 104 H GLU 19 H GLU 19 -7.816 4.047 8.024 105 HA GLU 19 HA GLU 19 -9.237 4.869 10.408 106 HB3 GLU 19 2HB GLU 19 -8.599 2.417 11.064 107 HG3 GLU 19 2HG GLU 19 -10.513 1.557 10.080 108 H LYS 20 H LYS 20 -6.612 6.054 9.794 109 HA LYS 20 HA LYS 20 -5.308 5.408 12.343 110 HB3 LYS 20 2HB LYS 20 -3.334 6.162 10.392 111 HG3 LYS 20 2HG LYS 20 -3.799 3.734 12.090 112 HD3 LYS 20 2HD LYS 20 -1.434 4.249 10.286 113 HE3 LYS 20 2HE LYS 20 -0.389 2.503 11.261 114 HZ1 LYS 20 3HZ LYS 20 -0.987 2.221 13.627 115 HZ2 LYS 20 1HZ LYS 20 -2.368 3.167 13.371 116 HZ3 LYS 20 2HZ LYS 20 -0.831 3.843 13.170 117 H CYS 21 H CYS 21 -4.757 7.620 9.598 118 HA CYS 21 HA CYS 21 -4.422 9.818 11.493 119 HB3 CYS 21 2HB CYS 21 -2.671 9.696 9.879 120 H HIS 22 H HIS 22 -6.938 8.436 9.974 121 HA HIS 22 HA HIS 22 -9.054 9.085 9.449 122 HB3 HIS 22 2HB HIS 22 -9.931 10.441 11.005 123 HD2 HIS 22 2HD HIS 22 -7.823 8.572 12.448 124 HE1 HIS 22 1HE HIS 22 -6.452 12.059 14.439 125 HE2 HIS 22 2HE HIS 22 -6.409 9.541 14.387 126 H LEU 23 H LEU 23 -6.787 9.713 7.658 127 HA LEU 23 HA LEU 23 -7.293 12.224 6.409 128 HB3 LEU 23 2HB LEU 23 -6.069 10.700 4.491 129 HG LEU 23 HG LEU 23 -4.873 12.309 6.718 130 HD11 LEU 23 1HD1 LEU 23 -2.864 11.409 6.479 131 HD12 LEU 23 2HD1 LEU 23 -2.916 11.704 4.742 132 HD13 LEU 23 3HD1 LEU 23 -3.544 10.193 5.398 133 HD21 LEU 23 3HD2 LEU 23 -4.017 13.396 4.429 134 HD22 LEU 23 1HD2 LEU 23 -5.561 13.812 5.172 135 HD23 LEU 23 2HD2 LEU 23 -5.505 12.646 3.849 136 H VAL 24 H VAL 24 -9.010 12.719 5.231 137 HA VAL 24 HA VAL 24 -10.887 10.800 4.322 138 HB VAL 24 HB VAL 24 -10.562 13.748 3.842 139 HG11 VAL 24 1HG1 VAL 24 -12.985 13.363 2.824 140 HG12 VAL 24 2HG1 VAL 24 -11.531 13.330 1.824 141 HG13 VAL 24 3HG1 VAL 24 -12.265 11.820 2.364 142 HG21 VAL 24 3HG2 VAL 24 -13.083 12.741 4.884 143 HG22 VAL 24 1HG2 VAL 24 -11.701 12.276 5.877 144 HG23 VAL 24 2HG2 VAL 24 -12.006 13.978 5.531 145 H LEU 25 H LEU 25 -10.488 9.423 2.719 146 HA LEU 25 HA LEU 25 -9.064 10.418 0.339 147 HB3 LEU 25 2HB LEU 25 -7.795 8.596 0.335 148 HG LEU 25 HG LEU 25 -9.033 8.240 3.031 149 HD11 LEU 25 1HD1 LEU 25 -6.836 6.424 2.559 150 HD12 LEU 25 2HD1 LEU 25 -8.217 6.055 1.526 151 HD13 LEU 25 3HD1 LEU 25 -8.418 6.120 3.276 152 HD21 LEU 25 3HD2 LEU 25 -6.560 8.435 3.619 153 HD22 LEU 25 1HD2 LEU 25 -7.350 9.876 2.979 154 HD23 LEU 25 2HD2 LEU 25 -6.315 8.902 1.935 155 H CYS 26 H CYS 26 -9.608 8.663 -1.545 156 HA CYS 26 HA CYS 26 -12.550 8.616 -1.723 157 HB3 CYS 26 2HB CYS 26 -10.830 8.693 -4.169 158 H SER 27 H SER 27 -9.737 6.766 -1.675 159 HA SER 27 HA SER 27 -11.156 4.329 -2.035 160 HB3 SER 27 2HB SER 27 -9.665 5.455 -4.339 161 HG SER 27 HG SER 27 -8.758 3.599 -4.931 162 HA PRO 28 HA PRO 28 -7.383 4.069 0.576 163 HB3 PRO 28 2HB PRO 28 -8.678 4.286 2.462 164 HG3 PRO 28 2HG PRO 28 -10.934 3.723 2.439 165 HD3 PRO 28 2HD PRO 28 -10.843 5.069 0.571 166 H LYS 29 H LYS 29 -6.926 1.735 1.908 167 HA LYS 29 HA LYS 29 -6.873 -0.263 -0.258 168 HB3 LYS 29 2HB LYS 29 -4.774 -1.071 0.641 169 HG3 LYS 29 2HG LYS 29 -3.298 0.835 0.355 170 HD3 LYS 29 2HD LYS 29 -5.681 0.849 -1.496 171 HE3 LYS 29 2HE LYS 29 -2.925 2.027 -1.827 172 HZ1 LYS 29 3HZ LYS 29 -4.539 2.607 -4.003 173 HZ2 LYS 29 1HZ LYS 29 -4.655 0.934 -3.772 174 HZ3 LYS 29 2HZ LYS 29 -3.140 1.656 -3.985 175 H GLN 30 H GLN 30 -9.119 -0.443 1.042 176 HA GLN 30 HA GLN 30 -9.564 -1.523 3.429 177 HB3 GLN 30 2HB GLN 30 -10.787 -3.222 1.379 178 HG3 GLN 30 2HG GLN 30 -11.897 -1.230 3.340 179 HE21 GLN 30 1HE2 GLN 30 -14.146 -2.742 3.889 180 HE22 GLN 30 2HE2 GLN 30 -15.206 -2.693 2.527 181 H THR 31 H THR 31 -8.882 -3.170 4.632 182 HA THR 31 HA THR 31 -7.042 -5.094 3.487 183 HB THR 31 HB THR 31 -6.415 -5.659 5.668 184 HG1 THR 31 1HG THR 31 -8.909 -4.563 6.512 185 HG21 THR 31 3HG2 THR 31 -5.584 -3.678 6.325 186 HG22 THR 31 1HG2 THR 31 -7.186 -2.970 6.528 187 HG23 THR 31 2HG2 THR 31 -6.440 -3.020 4.931 188 H GLU 32 H GLU 32 -7.670 -7.145 5.483 189 HA GLU 32 HA GLU 32 -9.893 -8.401 4.049 190 HB3 GLU 32 2HB GLU 32 -8.522 -10.112 5.945 191 HG3 GLU 32 2HG GLU 32 -8.294 -10.368 2.985 192 H CYS 33 H CYS 33 -9.847 -6.441 6.472 193 HA CYS 33 HA CYS 33 -11.580 -8.052 8.226 194 HB3 CYS 33 2HB CYS 33 -9.469 -7.039 9.212 195 H GLY 34 H GLY 34 -11.284 -5.095 6.380 196 HA2 GLY 34 1HA GLY 34 -13.543 -4.470 5.407 197 HA3 GLY 34 2HA GLY 34 -14.071 -4.418 7.082 198 H HIS 35 H HIS 35 -11.866 -3.169 8.247 199 HA HIS 35 HA HIS 35 -12.455 -0.492 7.971 200 HB3 HIS 35 2HB HIS 35 -10.171 -0.103 9.019 201 HD2 HIS 35 2HD HIS 35 -12.183 0.702 10.875 202 HE1 HIS 35 1HE HIS 35 -12.363 -3.075 12.799 203 HE2 HIS 35 2HE HIS 35 -13.098 -0.667 12.870 204 H ARG 36 H ARG 36 -10.388 1.086 7.495 205 HA ARG 36 HA ARG 36 -9.205 0.399 4.920 206 HB3 ARG 36 2HB ARG 36 -9.969 2.495 3.884 207 HG3 ARG 36 2HG ARG 36 -11.976 0.508 4.804 208 HD3 ARG 36 2HD ARG 36 -12.722 2.877 3.106 209 HE ARG 36 HE ARG 36 -14.821 1.433 4.360 210 HH11 ARG 36 1HH1 ARG 36 -12.586 1.317 1.693 211 HH12 ARG 36 2HH1 ARG 36 -13.609 0.322 0.710 212 HH21 ARG 36 1HH2 ARG 36 -16.176 0.124 3.075 213 HH22 ARG 36 2HH2 ARG 36 -15.651 -0.356 1.496 214 H PHE 37 H PHE 37 -7.491 1.856 4.279 215 HA PHE 37 HA PHE 37 -6.549 3.758 6.265 216 HB3 PHE 37 2HB PHE 37 -4.232 2.637 6.147 217 HD1 PHE 37 1HD PHE 37 -6.746 0.091 7.018 218 HD2 PHE 37 2HD PHE 37 -4.276 3.255 8.434 219 HE1 PHE 37 1HE PHE 37 -7.238 -0.569 9.337 220 HE2 PHE 37 2HE PHE 37 -4.762 2.600 10.755 221 HZ PHE 37 HZ PHE 37 -6.244 0.686 11.209 222 H CYS 38 H CYS 38 -4.586 4.932 5.490 223 HA CYS 38 HA CYS 38 -4.901 5.522 2.662 224 HB3 CYS 38 2HB CYS 38 -4.794 7.328 4.400 225 H GLU 39 H GLU 39 -2.842 6.030 1.417 226 HA GLU 39 HA GLU 39 -1.388 3.747 0.949 227 HB3 GLU 39 2HB GLU 39 0.397 5.669 0.193 228 HG3 GLU 39 2HG GLU 39 -2.088 5.351 -1.427 229 H SER 40 H SER 40 -0.123 6.618 2.653 230 HA SER 40 HA SER 40 2.283 5.601 3.490 231 HB3 SER 40 2HB SER 40 0.440 7.685 4.534 232 HG SER 40 HG SER 40 2.039 8.030 6.257 233 H CYS 41 H CYS 41 -0.216 6.016 5.953 234 HA CYS 41 HA CYS 41 0.604 4.351 7.860 235 HB3 CYS 41 2HB CYS 41 -1.802 3.828 8.371 236 H MET 42 H MET 42 -1.315 3.232 5.076 237 HA MET 42 HA MET 42 -1.463 0.548 5.660 238 HB3 MET 42 2HB MET 42 -1.169 1.941 3.000 239 HG3 MET 42 2HG MET 42 -0.632 -0.663 3.184 240 HE1 MET 42 3HE MET 42 -4.054 -1.508 5.272 241 HE2 MET 42 1HE MET 42 -2.322 -1.247 5.481 242 HE3 MET 42 2HE MET 42 -3.378 0.115 5.113 243 H ALA 43 H ALA 43 1.124 2.200 3.855 244 HA ALA 43 HA ALA 43 2.721 -0.104 3.493 245 HB1 ALA 43 3HB ALA 43 3.738 1.317 2.127 246 HB2 ALA 43 1HB ALA 43 2.868 2.675 2.843 247 HB3 ALA 43 2HB ALA 43 4.407 2.154 3.529 248 H ALA 44 H ALA 44 2.271 2.043 6.163 249 HA ALA 44 HA ALA 44 4.737 1.478 7.493 250 HB1 ALA 44 3HB ALA 44 2.241 2.435 8.855 251 HB2 ALA 44 1HB ALA 44 3.924 2.767 9.267 252 HB3 ALA 44 2HB ALA 44 3.207 3.498 7.831 253 H LEU 45 H LEU 45 1.377 0.420 8.048 254 HA LEU 45 HA LEU 45 1.913 -1.354 10.137 255 HB3 LEU 45 2HB LEU 45 -0.233 -2.396 9.573 256 HG LEU 45 HG LEU 45 -0.347 0.608 9.317 257 HD11 LEU 45 1HD1 LEU 45 -2.628 0.546 9.494 258 HD12 LEU 45 2HD1 LEU 45 -2.640 -1.051 10.244 259 HD13 LEU 45 3HD1 LEU 45 -2.347 -0.892 8.512 260 HD21 LEU 45 3HD2 LEU 45 0.159 -1.174 11.511 261 HD22 LEU 45 1HD2 LEU 45 -1.346 -0.292 11.777 262 HD23 LEU 45 2HD2 LEU 45 0.153 0.590 11.480 263 H LEU 46 H LEU 46 1.528 -2.052 6.662 264 HA LEU 46 HA LEU 46 1.989 -4.763 6.688 265 HB3 LEU 46 2HB LEU 46 2.764 -4.530 4.383 266 HG LEU 46 HG LEU 46 0.455 -2.725 5.065 267 HD11 LEU 46 1HD1 LEU 46 1.524 -1.949 2.988 268 HD12 LEU 46 2HD1 LEU 46 -0.076 -2.633 2.710 269 HD13 LEU 46 3HD1 LEU 46 1.363 -3.573 2.318 270 HD21 LEU 46 3HD2 LEU 46 -0.069 -5.057 3.448 271 HD22 LEU 46 1HD2 LEU 46 -0.770 -4.578 4.995 272 HD23 LEU 46 2HD2 LEU 46 0.737 -5.494 4.955 273 H SER 47 H SER 47 4.274 -2.161 7.075 274 HA SER 47 HA SER 47 6.548 -3.978 6.884 275 HB3 SER 47 2HB SER 47 7.257 -1.320 7.751 276 HG SER 47 HG SER 47 7.607 -2.474 5.191 277 H SER 48 H SER 48 4.596 -4.250 9.040 278 HA SER 48 HA SER 48 6.291 -3.605 11.361 279 HB3 SER 48 2HB SER 48 3.323 -4.202 11.349 280 HG SER 48 HG SER 48 4.021 -2.828 13.448 281 H SER 49 H SER 49 6.132 -5.994 9.401 282 HA SER 49 HA SER 49 6.718 -8.197 9.584 283 HB3 SER 49 2HB SER 49 6.358 -8.101 12.568 284 HG SER 49 HG SER 49 6.972 -10.074 11.662 285 H SER 50 H SER 50 4.322 -7.470 12.128 286 HA SER 50 HA SER 50 2.579 -9.521 10.927 287 HB3 SER 50 2HB SER 50 1.645 -9.782 13.280 288 HG SER 50 HG SER 50 3.983 -10.713 13.868 289 HA PRO 51 HA PRO 51 0.455 -5.382 10.807 290 HB3 PRO 51 2HB PRO 51 1.219 -4.948 8.685 291 HG3 PRO 51 2HG PRO 51 1.891 -6.672 7.276 292 HD3 PRO 51 2HD PRO 51 3.084 -7.220 9.170 293 H LYS 52 H LYS 52 -1.512 -5.401 11.677 294 HA LYS 52 HA LYS 52 -3.400 -7.510 10.855 295 HB3 LYS 52 2HB LYS 52 -4.306 -7.551 13.021 296 HG3 LYS 52 2HG LYS 52 -1.341 -7.295 13.083 297 HD3 LYS 52 2HD LYS 52 -2.841 -8.042 15.560 298 HE3 LYS 52 2HE LYS 52 -0.200 -6.655 15.401 299 HZ1 LYS 52 3HZ LYS 52 -1.233 -7.110 17.559 300 HZ2 LYS 52 1HZ LYS 52 0.224 -7.950 17.373 301 HZ3 LYS 52 2HZ LYS 52 -1.248 -8.765 17.209 302 H CYS 53 H CYS 53 -3.691 -4.364 12.502 303 HA CYS 53 HA CYS 53 -4.733 -2.756 10.625 304 HB3 CYS 53 2HB CYS 53 -6.767 -4.797 11.440 305 H THR 54 H THR 54 -4.078 -1.147 11.966 306 HA THR 54 HA THR 54 -4.188 -0.752 14.593 307 HB THR 54 HB THR 54 -4.199 1.013 12.337 308 HG1 THR 54 1HG THR 54 -2.603 0.692 14.087 309 HG21 THR 54 3HG2 THR 54 -5.209 2.996 13.421 310 HG22 THR 54 1HG2 THR 54 -5.827 1.953 14.701 311 HG23 THR 54 2HG2 THR 54 -6.398 1.749 13.045 312 H ALA 55 H ALA 55 -6.989 -0.523 12.460 313 HA ALA 55 HA ALA 55 -8.857 0.520 14.232 314 HB1 ALA 55 3HB ALA 55 -10.299 0.173 12.564 315 HB2 ALA 55 1HB ALA 55 -8.910 -0.422 11.653 316 HB3 ALA 55 2HB ALA 55 -9.955 -1.556 12.510 317 H CYS 56 H CYS 56 -8.921 -2.910 13.316 318 HA CYS 56 HA CYS 56 -9.592 -3.550 16.113 319 HB3 CYS 56 2HB CYS 56 -11.439 -4.021 14.608 320 H GLN 57 H GLN 57 -7.534 -4.279 13.410 321 HA GLN 57 HA GLN 57 -5.463 -5.288 13.432 322 HB3 GLN 57 2HB GLN 57 -4.471 -6.063 15.397 323 HG3 GLN 57 2HG GLN 57 -6.070 -4.618 17.207 324 HE21 GLN 57 1HE2 GLN 57 -4.124 -3.041 14.768 325 HE22 GLN 57 2HE2 GLN 57 -2.729 -2.801 15.760 326 H GLU 58 H GLU 58 -6.169 -6.618 11.765 327 HA GLU 58 HA GLU 58 -6.876 -9.351 12.598 328 HB3 GLU 58 2HB GLU 58 -7.909 -8.925 10.000 329 HG3 GLU 58 2HG GLU 58 -10.113 -8.855 11.580 330 H SER 59 H SER 59 -6.041 -7.661 9.570 331 HA SER 59 HA SER 59 -3.477 -8.757 9.295 332 HB3 SER 59 2HB SER 59 -4.854 -10.162 7.194 333 HG SER 59 HG SER 59 -2.740 -10.572 8.197 334 H ILE 60 H ILE 60 -2.484 -7.376 7.996 335 HA ILE 60 HA ILE 60 -4.041 -6.103 5.842 336 HB ILE 60 HB ILE 60 -1.590 -4.779 6.884 337 HG13 ILE 60 2HG1 ILE 60 -2.935 -5.518 8.892 338 HG21 ILE 60 1HG2 ILE 60 -3.861 -4.144 5.243 339 HG22 ILE 60 2HG2 ILE 60 -3.720 -2.992 6.569 340 HG23 ILE 60 3HG2 ILE 60 -2.361 -3.247 5.474 341 HD11 ILE 60 3HD1 ILE 60 -2.255 -3.724 9.998 342 HD12 ILE 60 1HD1 ILE 60 -1.752 -3.064 8.442 343 HD13 ILE 60 2HD1 ILE 60 -3.341 -2.666 9.097 344 H VAL 61 H VAL 61 -3.448 -6.771 3.897 345 HA VAL 61 HA VAL 61 -0.601 -7.077 3.294 346 HB VAL 61 HB VAL 61 -2.689 -9.190 2.765 347 HG11 VAL 61 1HG1 VAL 61 -0.084 -8.645 1.442 348 HG12 VAL 61 2HG1 VAL 61 -0.530 -10.324 1.750 349 HG13 VAL 61 3HG1 VAL 61 -1.578 -9.297 0.771 350 HG21 VAL 61 3HG2 VAL 61 -0.334 -10.289 3.804 351 HG22 VAL 61 1HG2 VAL 61 -0.638 -8.831 4.749 352 HG23 VAL 61 2HG2 VAL 61 -1.877 -10.080 4.634 353 H LYS 62 H LYS 62 -0.055 -6.242 1.373 354 HA LYS 62 HA LYS 62 -1.787 -4.666 -0.117 355 HB3 LYS 62 2HB LYS 62 0.540 -4.260 -0.319 356 HG3 LYS 62 2HG LYS 62 0.834 -7.067 -1.371 357 HD3 LYS 62 2HD LYS 62 2.585 -4.672 -1.475 358 HE3 LYS 62 2HE LYS 62 3.448 -7.365 -0.557 359 HZ1 LYS 62 3HZ LYS 62 5.647 -7.007 -1.489 360 HZ2 LYS 62 1HZ LYS 62 5.100 -5.642 -2.325 361 HZ3 LYS 62 2HZ LYS 62 4.501 -7.173 -2.723 362 H ASP 63 H ASP 63 -0.876 -8.040 -0.548 363 HA ASP 63 HA ASP 63 -2.026 -8.436 -3.082 364 HB3 ASP 63 2HB ASP 63 -2.022 -10.633 -1.054 365 H LYS 64 H LYS 64 -3.349 -8.917 0.178 366 HA LYS 64 HA LYS 64 -5.952 -9.618 -0.868 367 HB3 LYS 64 2HB LYS 64 -6.555 -10.137 1.321 368 HG3 LYS 64 2HG LYS 64 -4.668 -11.215 2.450 369 HD3 LYS 64 2HD LYS 64 -4.084 -11.775 -0.398 370 HE3 LYS 64 2HE LYS 64 -4.375 -13.195 2.138 371 HZ1 LYS 64 3HZ LYS 64 -5.283 -14.610 -0.301 372 HZ2 LYS 64 1HZ LYS 64 -6.362 -13.972 0.836 373 HZ3 LYS 64 2HZ LYS 64 -5.270 -15.182 1.290 374 H VAL 65 H VAL 65 -4.319 -6.767 -0.388 375 HA VAL 65 HA VAL 65 -6.596 -5.192 0.483 376 HB VAL 65 HB VAL 65 -3.740 -4.784 0.303 377 HG11 VAL 65 1HG1 VAL 65 -4.317 -3.474 -1.687 378 HG12 VAL 65 2HG1 VAL 65 -5.464 -2.534 -0.729 379 HG13 VAL 65 3HG1 VAL 65 -3.738 -2.448 -0.375 380 HG21 VAL 65 3HG2 VAL 65 -4.689 -2.726 1.765 381 HG22 VAL 65 1HG2 VAL 65 -6.060 -3.832 1.848 382 HG23 VAL 65 2HG2 VAL 65 -4.468 -4.358 2.397 383 H PHE 66 H PHE 66 -7.652 -3.633 -0.757 384 HA PHE 66 HA PHE 66 -7.048 -3.464 -3.602 385 HB3 PHE 66 2HB PHE 66 -9.679 -3.754 -3.893 386 HD1 PHE 66 2HD PHE 66 -8.447 -4.348 -5.971 387 HD2 PHE 66 1HD PHE 66 -8.518 -6.898 -2.563 388 HE1 PHE 66 2HE PHE 66 -7.717 -6.233 -7.371 389 HE2 PHE 66 1HE PHE 66 -7.786 -8.787 -3.958 390 HZ PHE 66 HZ PHE 66 -7.385 -8.458 -6.366 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -50.790 27.091 -5.128 2 HA2 GLY 1 1HA GLY 1 -51.388 28.536 -3.258 3 HA3 GLY 1 2HA GLY 1 -52.727 27.441 -3.570 4 H SER 2 H SER 2 -52.436 25.237 -2.404 5 HA SER 2 HA SER 2 -51.096 25.425 0.158 6 HB3 SER 2 2HB SER 2 -53.345 24.803 1.304 7 HG SER 2 HG SER 2 -52.089 27.014 1.069 8 H SER 3 H SER 3 -50.650 23.715 -1.979 9 HA SER 3 HA SER 3 -51.068 21.160 -0.696 10 HB3 SER 3 2HB SER 3 -52.324 21.824 -3.357 11 HG SER 3 HG SER 3 -52.754 19.419 -3.230 12 H GLY 4 H GLY 4 -49.410 19.794 -1.077 13 HA2 GLY 4 1HA GLY 4 -47.443 20.643 -3.109 14 HA3 GLY 4 2HA GLY 4 -47.024 19.850 -1.597 15 H SER 5 H SER 5 -46.933 19.299 -4.709 16 HA SER 5 HA SER 5 -46.857 16.484 -4.476 17 HB3 SER 5 2HB SER 5 -49.018 17.178 -6.389 18 HG SER 5 HG SER 5 -49.688 15.165 -5.837 19 H SER 6 H SER 6 -45.103 16.186 -5.678 20 HA SER 6 HA SER 6 -45.142 16.642 -8.486 21 HB3 SER 6 2HB SER 6 -42.816 18.103 -7.527 22 HG SER 6 HG SER 6 -43.225 18.723 -9.492 23 H GLY 7 H GLY 7 -42.411 16.654 -9.013 24 HA2 GLY 7 1HA GLY 7 -41.538 14.146 -7.714 25 HA3 GLY 7 2HA GLY 7 -41.317 14.461 -9.429 26 H PHE 8 H PHE 8 -39.403 13.903 -7.180 27 HA PHE 8 HA PHE 8 -37.249 15.406 -8.041 28 HB3 PHE 8 2HB PHE 8 -38.896 16.763 -6.009 29 HD1 PHE 8 1HD PHE 8 -38.107 15.858 -3.855 30 HD2 PHE 8 2HD PHE 8 -35.491 17.860 -6.549 31 HE1 PHE 8 1HE PHE 8 -36.474 16.158 -2.040 32 HE2 PHE 8 2HE PHE 8 -33.853 18.163 -4.739 33 HZ PHE 8 HZ PHE 8 -34.342 17.311 -2.481 34 H VAL 9 H VAL 9 -35.433 14.442 -7.350 35 HA VAL 9 HA VAL 9 -35.549 12.864 -4.868 36 HB VAL 9 HB VAL 9 -35.734 11.242 -6.599 37 HG11 VAL 9 1HG1 VAL 9 -35.062 11.712 -8.662 38 HG12 VAL 9 2HG1 VAL 9 -34.142 13.101 -8.082 39 HG13 VAL 9 3HG1 VAL 9 -33.391 11.505 -8.138 40 HG21 VAL 9 3HG2 VAL 9 -34.126 10.758 -4.776 41 HG22 VAL 9 1HG2 VAL 9 -33.741 9.921 -6.280 42 HG23 VAL 9 2HG2 VAL 9 -32.825 11.352 -5.806 43 H LYS 10 H LYS 10 -33.575 12.602 -3.757 44 HA LYS 10 HA LYS 10 -31.377 14.340 -4.657 45 HB3 LYS 10 2HB LYS 10 -31.432 14.273 -1.806 46 HG3 LYS 10 2HG LYS 10 -31.979 16.755 -2.137 47 HD3 LYS 10 2HD LYS 10 -29.555 15.840 -3.655 48 HE3 LYS 10 2HE LYS 10 -30.104 18.289 -3.254 49 HZ1 LYS 10 3HZ LYS 10 -29.266 18.970 -0.948 50 HZ2 LYS 10 1HZ LYS 10 -29.650 17.389 -0.481 51 HZ3 LYS 10 2HZ LYS 10 -30.857 18.411 -1.082 52 H THR 11 H THR 11 -29.281 13.746 -3.927 53 HA THR 11 HA THR 11 -29.076 11.015 -2.845 54 HB THR 11 HB THR 11 -26.866 11.674 -4.608 55 HG1 THR 11 1HG THR 11 -27.959 11.847 -6.503 56 HG21 THR 11 3HG2 THR 11 -27.448 9.473 -5.565 57 HG22 THR 11 1HG2 THR 11 -28.909 9.449 -4.578 58 HG23 THR 11 2HG2 THR 11 -27.324 9.427 -3.807 59 H VAL 12 H VAL 12 -27.081 10.537 -1.747 60 HA VAL 12 HA VAL 12 -25.493 12.875 -0.953 61 HB VAL 12 HB VAL 12 -26.688 10.887 0.984 62 HG11 VAL 12 1HG1 VAL 12 -24.467 12.808 1.196 63 HG12 VAL 12 2HG1 VAL 12 -25.632 12.838 2.521 64 HG13 VAL 12 3HG1 VAL 12 -24.793 11.340 2.117 65 HG21 VAL 12 3HG2 VAL 12 -27.165 13.776 1.297 66 HG22 VAL 12 1HG2 VAL 12 -27.944 13.021 -0.093 67 HG23 VAL 12 2HG2 VAL 12 -28.258 12.412 1.531 68 H GLU 13 H GLU 13 -23.452 12.430 -1.432 69 HA GLU 13 HA GLU 13 -22.504 9.658 -1.117 70 HB3 GLU 13 2HB GLU 13 -20.676 10.474 -2.760 71 HG3 GLU 13 2HG GLU 13 -23.487 10.220 -3.805 72 H ASP 14 H ASP 14 -20.860 9.276 0.236 73 HA ASP 14 HA ASP 14 -19.293 11.566 1.218 74 HB3 ASP 14 2HB ASP 14 -19.274 10.337 3.462 75 H LYS 15 H LYS 15 -17.193 11.295 0.915 76 HA LYS 15 HA LYS 15 -16.077 8.926 -0.124 77 HB3 LYS 15 2HB LYS 15 -15.010 10.993 -0.637 78 HG3 LYS 15 2HG LYS 15 -13.912 11.555 2.021 79 HD3 LYS 15 2HD LYS 15 -14.346 13.858 1.325 80 HE3 LYS 15 2HE LYS 15 -12.571 12.101 0.135 81 HZ1 LYS 15 3HZ LYS 15 -14.340 13.092 -1.860 82 HZ2 LYS 15 1HZ LYS 15 -13.073 11.981 -2.008 83 HZ3 LYS 15 2HZ LYS 15 -12.762 13.639 -2.130 84 H TYR 16 H TYR 16 -13.780 8.335 1.113 85 HA TYR 16 HA TYR 16 -14.685 7.211 3.672 86 HB3 TYR 16 2HB TYR 16 -12.988 5.496 3.361 87 HD1 TYR 16 2HD TYR 16 -15.922 6.496 2.142 88 HD2 TYR 16 1HD TYR 16 -12.725 3.949 0.962 89 HE1 TYR 16 2HE TYR 16 -17.477 5.205 0.740 90 HE2 TYR 16 1HE TYR 16 -14.270 2.652 -0.444 91 HH TYR 16 HH TYR 16 -16.804 3.459 -1.623 92 H LYS 17 H LYS 17 -12.325 6.544 4.840 93 HA LYS 17 HA LYS 17 -10.482 8.735 4.909 94 HB3 LYS 17 2HB LYS 17 -12.660 8.529 6.933 95 HG3 LYS 17 2HG LYS 17 -10.846 10.161 8.177 96 HD3 LYS 17 2HD LYS 17 -10.540 7.898 9.593 97 HE3 LYS 17 2HE LYS 17 -12.430 10.068 9.513 98 HZ1 LYS 17 3HZ LYS 17 -14.357 9.119 10.013 99 HZ2 LYS 17 1HZ LYS 17 -13.651 8.084 11.151 100 HZ3 LYS 17 2HZ LYS 17 -13.703 7.639 9.520 101 H CYS 18 H CYS 18 -8.567 8.145 5.809 102 HA CYS 18 HA CYS 18 -7.980 5.454 6.205 103 HB3 CYS 18 2HB CYS 18 -6.523 7.960 7.042 104 H GLU 19 H GLU 19 -7.837 4.134 7.960 105 HA GLU 19 HA GLU 19 -9.269 4.972 10.331 106 HB3 GLU 19 2HB GLU 19 -8.562 2.481 10.952 107 HG3 GLU 19 2HG GLU 19 -10.572 1.663 10.098 108 H LYS 20 H LYS 20 -6.628 6.129 9.749 109 HA LYS 20 HA LYS 20 -5.354 5.454 12.306 110 HB3 LYS 20 2HB LYS 20 -3.352 6.204 10.385 111 HG3 LYS 20 2HG LYS 20 -3.865 3.754 12.038 112 HD3 LYS 20 2HD LYS 20 -1.471 4.281 10.277 113 HE3 LYS 20 2HE LYS 20 -0.744 2.076 10.967 114 HZ1 LYS 20 3HZ LYS 20 0.031 2.643 13.027 115 HZ2 LYS 20 1HZ LYS 20 -1.431 3.328 13.532 116 HZ3 LYS 20 2HZ LYS 20 -0.428 4.169 12.460 117 H CYS 21 H CYS 21 -4.738 7.678 9.586 118 HA CYS 21 HA CYS 21 -4.388 9.858 11.494 119 HB3 CYS 21 2HB CYS 21 -2.653 9.732 9.864 120 H HIS 22 H HIS 22 -6.904 8.517 9.873 121 HA HIS 22 HA HIS 22 -9.029 9.190 9.417 122 HB3 HIS 22 2HB HIS 22 -9.885 10.569 10.968 123 HD2 HIS 22 2HD HIS 22 -7.811 8.642 12.397 124 HE1 HIS 22 1HE HIS 22 -6.384 12.087 14.422 125 HE2 HIS 22 2HE HIS 22 -6.386 9.569 14.346 126 H LEU 23 H LEU 23 -6.767 9.787 7.610 127 HA LEU 23 HA LEU 23 -7.306 12.301 6.353 128 HB3 LEU 23 2HB LEU 23 -5.988 10.854 4.464 129 HG LEU 23 HG LEU 23 -4.883 12.406 6.774 130 HD11 LEU 23 1HD1 LEU 23 -2.853 11.891 4.850 131 HD12 LEU 23 2HD1 LEU 23 -3.482 10.350 5.431 132 HD13 LEU 23 3HD1 LEU 23 -2.858 11.535 6.577 133 HD21 LEU 23 3HD2 LEU 23 -5.821 13.742 5.054 134 HD22 LEU 23 1HD2 LEU 23 -5.047 12.784 3.792 135 HD23 LEU 23 2HD2 LEU 23 -4.071 13.810 4.844 136 H VAL 24 H VAL 24 -9.005 12.735 5.130 137 HA VAL 24 HA VAL 24 -10.864 10.815 4.253 138 HB VAL 24 HB VAL 24 -10.430 13.709 3.600 139 HG11 VAL 24 1HG1 VAL 24 -12.843 13.185 2.459 140 HG12 VAL 24 2HG1 VAL 24 -11.326 13.353 1.571 141 HG13 VAL 24 3HG1 VAL 24 -11.922 11.750 2.007 142 HG21 VAL 24 3HG2 VAL 24 -12.011 14.067 5.140 143 HG22 VAL 24 1HG2 VAL 24 -13.049 12.798 4.492 144 HG23 VAL 24 2HG2 VAL 24 -11.755 12.389 5.619 145 H LEU 25 H LEU 25 -10.686 9.396 2.660 146 HA LEU 25 HA LEU 25 -9.106 10.128 0.285 147 HB3 LEU 25 2HB LEU 25 -7.887 8.263 0.393 148 HG LEU 25 HG LEU 25 -8.991 8.287 3.169 149 HD11 LEU 25 1HD1 LEU 25 -8.761 6.041 3.199 150 HD12 LEU 25 2HD1 LEU 25 -7.059 6.450 3.412 151 HD13 LEU 25 3HD1 LEU 25 -7.670 6.021 1.813 152 HD21 LEU 25 3HD2 LEU 25 -7.242 9.879 2.511 153 HD22 LEU 25 1HD2 LEU 25 -6.201 8.532 2.047 154 HD23 LEU 25 2HD2 LEU 25 -6.672 8.741 3.734 155 H CYS 26 H CYS 26 -9.662 8.622 -1.611 156 HA CYS 26 HA CYS 26 -12.594 8.391 -1.741 157 HB3 CYS 26 2HB CYS 26 -11.034 8.355 -4.253 158 H SER 27 H SER 27 -9.578 6.715 -2.222 159 HA SER 27 HA SER 27 -11.017 4.191 -2.382 160 HB3 SER 27 2HB SER 27 -10.636 4.990 -4.750 161 HG SER 27 HG SER 27 -8.031 4.213 -4.768 162 HA PRO 28 HA PRO 28 -7.311 4.027 0.351 163 HB3 PRO 28 2HB PRO 28 -8.644 4.311 2.201 164 HG3 PRO 28 2HG PRO 28 -10.902 3.760 2.148 165 HD3 PRO 28 2HD PRO 28 -10.762 5.048 0.242 166 H LYS 29 H LYS 29 -6.897 1.734 1.764 167 HA LYS 29 HA LYS 29 -6.755 -0.309 -0.353 168 HB3 LYS 29 2HB LYS 29 -4.732 -1.115 0.655 169 HG3 LYS 29 2HG LYS 29 -3.231 0.793 0.593 170 HD3 LYS 29 2HD LYS 29 -5.371 1.272 -1.465 171 HE3 LYS 29 2HE LYS 29 -2.474 1.074 -2.069 172 HZ1 LYS 29 3HZ LYS 29 -3.741 1.604 -3.909 173 HZ2 LYS 29 1HZ LYS 29 -3.217 3.129 -3.395 174 HZ3 LYS 29 2HZ LYS 29 -4.789 2.613 -3.046 175 H GLN 30 H GLN 30 -9.095 -0.456 0.749 176 HA GLN 30 HA GLN 30 -9.754 -1.492 3.108 177 HB3 GLN 30 2HB GLN 30 -10.847 -3.239 1.053 178 HG3 GLN 30 2HG GLN 30 -11.954 -1.136 2.877 179 HE21 GLN 30 1HE2 GLN 30 -14.455 -2.376 3.041 180 HE22 GLN 30 2HE2 GLN 30 -15.328 -2.041 1.589 181 H THR 31 H THR 31 -8.816 -2.919 4.397 182 HA THR 31 HA THR 31 -7.034 -4.934 3.434 183 HB THR 31 HB THR 31 -6.617 -5.491 5.687 184 HG1 THR 31 1HG THR 31 -8.648 -4.050 6.868 185 HG21 THR 31 3HG2 THR 31 -7.433 -2.603 5.910 186 HG22 THR 31 1HG2 THR 31 -6.041 -3.117 4.957 187 HG23 THR 31 2HG2 THR 31 -6.082 -3.424 6.693 188 H GLU 32 H GLU 32 -7.797 -6.956 5.411 189 HA GLU 32 HA GLU 32 -9.937 -8.229 3.856 190 HB3 GLU 32 2HB GLU 32 -8.271 -9.716 5.842 191 HG3 GLU 32 2HG GLU 32 -8.761 -10.731 3.121 192 H CYS 33 H CYS 33 -9.981 -6.307 6.309 193 HA CYS 33 HA CYS 33 -11.787 -7.954 7.956 194 HB3 CYS 33 2HB CYS 33 -9.684 -7.047 9.057 195 H GLY 34 H GLY 34 -11.356 -4.947 6.229 196 HA2 GLY 34 1HA GLY 34 -13.602 -4.248 5.240 197 HA3 GLY 34 2HA GLY 34 -14.116 -4.172 6.919 198 H HIS 35 H HIS 35 -12.008 -2.971 8.154 199 HA HIS 35 HA HIS 35 -12.438 -0.287 7.811 200 HB3 HIS 35 2HB HIS 35 -10.214 0.040 8.954 201 HD2 HIS 35 2HD HIS 35 -12.262 0.814 10.775 202 HE1 HIS 35 1HE HIS 35 -12.528 -3.005 12.602 203 HE2 HIS 35 2HE HIS 35 -13.245 -0.593 12.709 204 H ARG 36 H ARG 36 -10.499 1.299 7.290 205 HA ARG 36 HA ARG 36 -9.165 0.504 4.809 206 HB3 ARG 36 2HB ARG 36 -9.857 2.676 3.764 207 HG3 ARG 36 2HG ARG 36 -11.763 0.486 4.337 208 HD3 ARG 36 2HD ARG 36 -12.779 2.611 2.566 209 HE ARG 36 HE ARG 36 -13.883 0.385 3.719 210 HH11 ARG 36 1HH1 ARG 36 -14.632 3.785 3.646 211 HH12 ARG 36 2HH1 ARG 36 -16.340 3.544 3.801 212 HH21 ARG 36 1HH2 ARG 36 -16.131 0.056 3.922 213 HH22 ARG 36 2HH2 ARG 36 -17.192 1.424 3.958 214 H PHE 37 H PHE 37 -7.399 1.894 4.208 215 HA PHE 37 HA PHE 37 -6.519 3.841 6.190 216 HB3 PHE 37 2HB PHE 37 -4.206 2.726 6.144 217 HD1 PHE 37 1HD PHE 37 -6.749 0.170 6.905 218 HD2 PHE 37 2HD PHE 37 -4.306 3.300 8.435 219 HE1 PHE 37 1HE PHE 37 -7.312 -0.518 9.199 220 HE2 PHE 37 2HE PHE 37 -4.864 2.618 10.732 221 HZ PHE 37 HZ PHE 37 -6.368 0.706 11.116 222 H CYS 38 H CYS 38 -4.588 5.051 5.454 223 HA CYS 38 HA CYS 38 -4.835 5.631 2.624 224 HB3 CYS 38 2HB CYS 38 -4.722 7.419 4.393 225 H GLU 39 H GLU 39 -2.713 6.176 1.450 226 HA GLU 39 HA GLU 39 -1.288 3.864 0.968 227 HB3 GLU 39 2HB GLU 39 0.522 5.792 0.266 228 HG3 GLU 39 2HG GLU 39 -1.780 5.691 -1.544 229 H SER 40 H SER 40 0.001 6.714 2.689 230 HA SER 40 HA SER 40 2.375 5.663 3.562 231 HB3 SER 40 2HB SER 40 0.511 7.662 4.826 232 HG SER 40 HG SER 40 3.145 7.155 5.723 233 H CYS 41 H CYS 41 -0.175 6.090 5.974 234 HA CYS 41 HA CYS 41 0.596 4.423 7.901 235 HB3 CYS 41 2HB CYS 41 -1.826 3.903 8.350 236 H MET 42 H MET 42 -1.248 3.312 5.063 237 HA MET 42 HA MET 42 -1.412 0.626 5.648 238 HB3 MET 42 2HB MET 42 -1.079 2.023 2.996 239 HG3 MET 42 2HG MET 42 -0.535 -0.579 3.182 240 HE1 MET 42 3HE MET 42 -3.319 0.183 5.067 241 HE2 MET 42 1HE MET 42 -3.985 -1.443 5.213 242 HE3 MET 42 2HE MET 42 -2.258 -1.174 5.449 243 H ALA 43 H ALA 43 1.159 2.216 3.756 244 HA ALA 43 HA ALA 43 2.776 -0.047 3.435 245 HB1 ALA 43 3HB ALA 43 3.164 2.877 3.192 246 HB2 ALA 43 1HB ALA 43 4.613 1.882 3.335 247 HB3 ALA 43 2HB ALA 43 3.469 1.589 2.027 248 H ALA 44 H ALA 44 2.246 1.974 6.170 249 HA ALA 44 HA ALA 44 4.700 1.362 7.524 250 HB1 ALA 44 3HB ALA 44 2.551 2.160 9.282 251 HB2 ALA 44 1HB ALA 44 4.064 2.984 8.904 252 HB3 ALA 44 2HB ALA 44 2.653 3.210 7.869 253 H LEU 45 H LEU 45 1.307 0.391 8.058 254 HA LEU 45 HA LEU 45 1.750 -1.440 10.095 255 HB3 LEU 45 2HB LEU 45 -0.383 -2.442 9.461 256 HG LEU 45 HG LEU 45 -0.457 0.558 9.152 257 HD11 LEU 45 1HD1 LEU 45 -2.456 -1.170 8.446 258 HD12 LEU 45 2HD1 LEU 45 -2.681 0.502 8.956 259 HD13 LEU 45 3HD1 LEU 45 -2.846 -0.806 10.127 260 HD21 LEU 45 3HD2 LEU 45 -0.375 -1.306 11.443 261 HD22 LEU 45 1HD2 LEU 45 -1.506 0.042 11.562 262 HD23 LEU 45 2HD2 LEU 45 0.210 0.352 11.303 263 H LEU 46 H LEU 46 1.493 -2.092 6.599 264 HA LEU 46 HA LEU 46 1.935 -4.807 6.611 265 HB3 LEU 46 2HB LEU 46 2.771 -4.564 4.337 266 HG LEU 46 HG LEU 46 0.551 -2.590 4.868 267 HD11 LEU 46 1HD1 LEU 46 0.039 -3.111 2.422 268 HD12 LEU 46 2HD1 LEU 46 1.705 -3.680 2.323 269 HD13 LEU 46 3HD1 LEU 46 1.371 -2.004 2.757 270 HD21 LEU 46 3HD2 LEU 46 0.648 -5.405 5.029 271 HD22 LEU 46 1HD2 LEU 46 -0.240 -4.999 3.560 272 HD23 LEU 46 2HD2 LEU 46 -0.767 -4.355 5.115 273 H SER 47 H SER 47 4.272 -2.204 6.919 274 HA SER 47 HA SER 47 6.533 -4.006 6.807 275 HB3 SER 47 2HB SER 47 6.880 -1.236 7.819 276 HG SER 47 HG SER 47 8.136 -2.527 5.642 277 H SER 48 H SER 48 4.399 -4.170 8.938 278 HA SER 48 HA SER 48 6.078 -3.765 11.317 279 HB3 SER 48 2HB SER 48 3.113 -4.356 11.269 280 HG SER 48 HG SER 48 3.225 -3.974 13.356 281 H SER 49 H SER 49 5.826 -6.065 9.214 282 HA SER 49 HA SER 49 6.320 -8.294 9.277 283 HB3 SER 49 2HB SER 49 6.116 -8.862 12.099 284 HG SER 49 HG SER 49 7.540 -9.713 10.297 285 H SER 50 H SER 50 4.132 -7.705 12.035 286 HA SER 50 HA SER 50 2.270 -9.653 10.843 287 HB3 SER 50 2HB SER 50 1.568 -10.282 13.018 288 HG SER 50 HG SER 50 3.422 -11.295 13.035 289 HA PRO 51 HA PRO 51 0.246 -5.449 10.776 290 HB3 PRO 51 2HB PRO 51 1.025 -4.986 8.664 291 HG3 PRO 51 2HG PRO 51 1.670 -6.692 7.223 292 HD3 PRO 51 2HD PRO 51 2.847 -7.301 9.109 293 H LYS 52 H LYS 52 -1.719 -5.462 11.650 294 HA LYS 52 HA LYS 52 -3.638 -7.526 10.790 295 HB3 LYS 52 2HB LYS 52 -4.563 -7.559 12.950 296 HG3 LYS 52 2HG LYS 52 -1.594 -7.347 13.041 297 HD3 LYS 52 2HD LYS 52 -3.131 -8.101 15.492 298 HE3 LYS 52 2HE LYS 52 -0.710 -6.726 15.996 299 HZ1 LYS 52 3HZ LYS 52 -1.050 -9.662 16.068 300 HZ2 LYS 52 1HZ LYS 52 -1.815 -8.655 17.192 301 HZ3 LYS 52 2HZ LYS 52 -0.127 -8.683 17.094 302 H CYS 53 H CYS 53 -3.895 -4.380 12.444 303 HA CYS 53 HA CYS 53 -4.902 -2.755 10.561 304 HB3 CYS 53 2HB CYS 53 -6.971 -4.765 11.367 305 H THR 54 H THR 54 -4.220 -1.161 11.908 306 HA THR 54 HA THR 54 -4.336 -0.763 14.532 307 HB THR 54 HB THR 54 -4.219 0.980 12.301 308 HG1 THR 54 1HG THR 54 -2.659 0.922 13.923 309 HG21 THR 54 3HG2 THR 54 -5.979 2.063 14.503 310 HG22 THR 54 1HG2 THR 54 -6.531 1.637 12.883 311 HG23 THR 54 2HG2 THR 54 -5.378 2.954 13.105 312 H ALA 55 H ALA 55 -7.125 -0.477 12.388 313 HA ALA 55 HA ALA 55 -8.983 0.591 14.154 314 HB1 ALA 55 3HB ALA 55 -10.116 -1.462 12.431 315 HB2 ALA 55 1HB ALA 55 -10.420 0.275 12.477 316 HB3 ALA 55 2HB ALA 55 -9.042 -0.356 11.574 317 H CYS 56 H CYS 56 -9.104 -2.837 13.234 318 HA CYS 56 HA CYS 56 -9.797 -3.467 16.028 319 HB3 CYS 56 2HB CYS 56 -11.641 -3.904 14.506 320 H GLN 57 H GLN 57 -7.738 -4.228 13.335 321 HA GLN 57 HA GLN 57 -5.681 -5.268 13.369 322 HB3 GLN 57 2HB GLN 57 -4.711 -6.050 15.336 323 HG3 GLN 57 2HG GLN 57 -6.341 -4.609 17.136 324 HE21 GLN 57 1HE2 GLN 57 -4.359 -2.919 14.834 325 HE22 GLN 57 2HE2 GLN 57 -2.966 -2.760 15.844 326 H GLU 58 H GLU 58 -6.412 -6.578 11.692 327 HA GLU 58 HA GLU 58 -7.164 -9.303 12.513 328 HB3 GLU 58 2HB GLU 58 -8.524 -7.473 10.658 329 HG3 GLU 58 2HG GLU 58 -7.734 -10.201 9.786 330 H SER 59 H SER 59 -6.293 -7.627 9.487 331 HA SER 59 HA SER 59 -3.743 -8.766 9.227 332 HB3 SER 59 2HB SER 59 -5.044 -10.144 7.098 333 HG SER 59 HG SER 59 -3.057 -10.589 8.462 334 H ILE 60 H ILE 60 -2.679 -7.513 7.845 335 HA ILE 60 HA ILE 60 -4.204 -6.176 5.706 336 HB ILE 60 HB ILE 60 -1.769 -4.856 6.781 337 HG13 ILE 60 2HG1 ILE 60 -3.125 -5.593 8.778 338 HG21 ILE 60 1HG2 ILE 60 -4.117 -3.229 6.379 339 HG22 ILE 60 2HG2 ILE 60 -2.544 -3.148 5.588 340 HG23 ILE 60 3HG2 ILE 60 -3.788 -4.235 4.968 341 HD11 ILE 60 3HD1 ILE 60 -3.555 -2.752 8.998 342 HD12 ILE 60 1HD1 ILE 60 -2.440 -3.798 9.877 343 HD13 ILE 60 2HD1 ILE 60 -1.968 -3.118 8.320 344 H VAL 61 H VAL 61 -3.620 -7.159 3.874 345 HA VAL 61 HA VAL 61 -0.743 -7.401 3.305 346 HB VAL 61 HB VAL 61 -2.874 -9.469 2.785 347 HG11 VAL 61 1HG1 VAL 61 -1.849 -9.799 0.815 348 HG12 VAL 61 2HG1 VAL 61 -0.418 -8.882 1.290 349 HG13 VAL 61 3HG1 VAL 61 -0.596 -10.564 1.790 350 HG21 VAL 61 3HG2 VAL 61 -2.030 -10.059 4.810 351 HG22 VAL 61 1HG2 VAL 61 -0.803 -10.817 3.794 352 HG23 VAL 61 2HG2 VAL 61 -0.491 -9.245 4.529 353 H LYS 62 H LYS 62 -0.153 -6.452 1.469 354 HA LYS 62 HA LYS 62 -1.773 -4.878 -0.092 355 HB3 LYS 62 2HB LYS 62 0.562 -4.567 -0.272 356 HG3 LYS 62 2HG LYS 62 1.176 -7.064 -1.708 357 HD3 LYS 62 2HD LYS 62 3.218 -6.841 -0.214 358 HE3 LYS 62 2HE LYS 62 2.841 -4.313 -1.754 359 HZ1 LYS 62 3HZ LYS 62 5.032 -4.563 -1.197 360 HZ2 LYS 62 1HZ LYS 62 5.019 -5.336 -2.700 361 HZ3 LYS 62 2HZ LYS 62 4.994 -6.252 -1.279 362 H ASP 63 H ASP 63 -0.985 -8.288 -0.527 363 HA ASP 63 HA ASP 63 -2.127 -8.633 -3.069 364 HB3 ASP 63 2HB ASP 63 -2.434 -10.961 -1.349 365 H LYS 64 H LYS 64 -3.507 -9.119 0.171 366 HA LYS 64 HA LYS 64 -6.107 -9.767 -0.855 367 HB3 LYS 64 2HB LYS 64 -6.782 -9.994 1.395 368 HG3 LYS 64 2HG LYS 64 -4.430 -10.782 2.516 369 HD3 LYS 64 2HD LYS 64 -5.963 -12.356 0.449 370 HE3 LYS 64 2HE LYS 64 -5.367 -13.978 2.590 371 HZ1 LYS 64 3HZ LYS 64 -3.524 -14.778 1.027 372 HZ2 LYS 64 1HZ LYS 64 -4.094 -13.598 -0.044 373 HZ3 LYS 64 2HZ LYS 64 -5.120 -14.841 0.469 374 H VAL 65 H VAL 65 -4.420 -6.878 -0.109 375 HA VAL 65 HA VAL 65 -6.602 -5.193 0.520 376 HB VAL 65 HB VAL 65 -3.771 -4.823 -0.193 377 HG11 VAL 65 1HG1 VAL 65 -4.755 -3.443 -1.927 378 HG12 VAL 65 2HG1 VAL 65 -5.780 -2.639 -0.736 379 HG13 VAL 65 3HG1 VAL 65 -4.029 -2.426 -0.682 380 HG21 VAL 65 3HG2 VAL 65 -5.371 -4.537 2.043 381 HG22 VAL 65 1HG2 VAL 65 -3.702 -3.989 1.876 382 HG23 VAL 65 2HG2 VAL 65 -5.032 -2.875 1.556 383 H PHE 66 H PHE 66 -8.115 -4.294 -0.721 384 HA PHE 66 HA PHE 66 -8.896 -5.016 -3.163 385 HB3 PHE 66 2HB PHE 66 -9.620 -2.987 -1.485 386 HD1 PHE 66 1HD PHE 66 -7.003 -1.873 -2.248 387 HD2 PHE 66 2HD PHE 66 -10.882 -1.170 -3.853 388 HE1 PHE 66 1HE PHE 66 -6.286 0.360 -2.992 389 HE2 PHE 66 2HE PHE 66 -10.172 1.064 -4.600 390 HZ PHE 66 HZ PHE 66 -7.871 1.832 -4.170 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -46.550 -0.461 2.427 2 HA2 GLY 1 1HA GLY 1 -45.075 1.101 0.679 3 HA3 GLY 1 2HA GLY 1 -46.759 0.663 0.436 4 H SER 2 H SER 2 -44.553 3.135 1.436 5 HA SER 2 HA SER 2 -46.281 4.977 2.600 6 HB3 SER 2 2HB SER 2 -44.584 6.549 2.338 7 HG SER 2 HG SER 2 -43.839 4.152 2.896 8 H SER 3 H SER 3 -48.189 5.512 1.741 9 HA SER 3 HA SER 3 -48.479 5.868 -1.127 10 HB3 SER 3 2HB SER 3 -50.858 6.064 -0.683 11 HG SER 3 HG SER 3 -49.933 4.075 1.096 12 H GLY 4 H GLY 4 -47.957 7.777 1.672 13 HA2 GLY 4 1HA GLY 4 -49.067 10.214 0.608 14 HA3 GLY 4 2HA GLY 4 -48.096 10.057 2.064 15 H SER 5 H SER 5 -46.411 11.374 1.901 16 HA SER 5 HA SER 5 -44.524 11.030 -0.246 17 HB3 SER 5 2HB SER 5 -44.649 13.731 -0.436 18 HG SER 5 HG SER 5 -45.856 13.317 -2.381 19 H SER 6 H SER 6 -44.626 10.762 2.658 20 HA SER 6 HA SER 6 -42.905 12.912 3.618 21 HB3 SER 6 2HB SER 6 -43.171 11.882 5.822 22 HG SER 6 HG SER 6 -45.086 12.725 5.958 23 H GLY 7 H GLY 7 -42.005 10.950 1.594 24 HA2 GLY 7 1HA GLY 7 -39.644 9.976 3.069 25 HA3 GLY 7 2HA GLY 7 -40.477 8.930 1.927 26 H PHE 8 H PHE 8 -39.181 12.255 1.994 27 HA PHE 8 HA PHE 8 -38.296 11.905 -0.772 28 HB3 PHE 8 2HB PHE 8 -37.817 14.503 0.521 29 HD1 PHE 8 2HD PHE 8 -36.827 13.346 -2.009 30 HD2 PHE 8 1HD PHE 8 -40.434 15.430 -1.136 31 HE1 PHE 8 2HE PHE 8 -36.958 14.093 -4.350 32 HE2 PHE 8 1HE PHE 8 -40.572 16.179 -3.476 33 HZ PHE 8 HZ PHE 8 -38.832 15.511 -5.085 34 H VAL 9 H VAL 9 -36.300 11.213 -1.112 35 HA VAL 9 HA VAL 9 -34.275 11.499 0.961 36 HB VAL 9 HB VAL 9 -34.649 9.339 -0.306 37 HG11 VAL 9 1HG1 VAL 9 -34.440 10.974 -2.524 38 HG12 VAL 9 2HG1 VAL 9 -32.900 10.112 -2.491 39 HG13 VAL 9 3HG1 VAL 9 -34.416 9.211 -2.520 40 HG21 VAL 9 3HG2 VAL 9 -31.823 10.079 -0.763 41 HG22 VAL 9 1HG2 VAL 9 -32.449 10.314 0.869 42 HG23 VAL 9 2HG2 VAL 9 -32.512 8.718 0.122 43 H LYS 10 H LYS 10 -32.140 12.299 0.485 44 HA LYS 10 HA LYS 10 -32.077 14.254 -1.719 45 HB3 LYS 10 2HB LYS 10 -30.377 15.259 0.237 46 HG3 LYS 10 2HG LYS 10 -32.707 16.102 -1.124 47 HD3 LYS 10 2HD LYS 10 -32.804 17.333 1.557 48 HE3 LYS 10 2HE LYS 10 -35.343 16.851 0.843 49 HZ1 LYS 10 3HZ LYS 10 -35.133 19.030 -0.473 50 HZ2 LYS 10 1HZ LYS 10 -33.516 19.012 0.022 51 HZ3 LYS 10 2HZ LYS 10 -34.753 19.045 1.174 52 H THR 11 H THR 11 -30.620 11.617 -0.204 53 HA THR 11 HA THR 11 -28.773 10.392 -0.754 54 HB THR 11 HB THR 11 -27.740 12.339 -2.744 55 HG1 THR 11 1HG THR 11 -29.544 12.408 -3.834 56 HG21 THR 11 3HG2 THR 11 -27.792 10.052 -4.040 57 HG22 THR 11 1HG2 THR 11 -27.970 9.380 -2.420 58 HG23 THR 11 2HG2 THR 11 -26.560 10.363 -2.817 59 H VAL 12 H VAL 12 -26.382 10.480 -0.610 60 HA VAL 12 HA VAL 12 -25.312 12.944 0.541 61 HB VAL 12 HB VAL 12 -25.092 10.293 1.972 62 HG11 VAL 12 1HG1 VAL 12 -23.210 11.321 2.691 63 HG12 VAL 12 2HG1 VAL 12 -23.806 12.933 2.292 64 HG13 VAL 12 3HG1 VAL 12 -24.341 12.134 3.772 65 HG21 VAL 12 3HG2 VAL 12 -26.808 12.707 2.513 66 HG22 VAL 12 1HG2 VAL 12 -27.321 11.035 2.276 67 HG23 VAL 12 2HG2 VAL 12 -26.446 11.491 3.738 68 H GLU 13 H GLU 13 -23.720 13.293 -0.893 69 HA GLU 13 HA GLU 13 -22.066 11.063 -1.797 70 HB3 GLU 13 2HB GLU 13 -22.790 12.515 -3.552 71 HG3 GLU 13 2HG GLU 13 -22.504 14.592 -1.658 72 H ASP 14 H ASP 14 -20.217 10.587 -0.833 73 HA ASP 14 HA ASP 14 -18.470 12.670 0.155 74 HB3 ASP 14 2HB ASP 14 -20.037 12.185 2.055 75 H LYS 15 H LYS 15 -16.660 11.228 1.558 76 HA LYS 15 HA LYS 15 -15.897 9.017 -0.228 77 HB3 LYS 15 2HB LYS 15 -13.847 9.883 -0.671 78 HG3 LYS 15 2HG LYS 15 -15.611 11.774 -1.045 79 HD3 LYS 15 2HD LYS 15 -14.502 12.466 1.516 80 HE3 LYS 15 2HE LYS 15 -12.874 13.712 0.080 81 HZ1 LYS 15 3HZ LYS 15 -13.705 15.671 -1.071 82 HZ2 LYS 15 1HZ LYS 15 -15.301 15.216 -0.740 83 HZ3 LYS 15 2HZ LYS 15 -14.342 14.260 -1.753 84 H TYR 16 H TYR 16 -13.596 8.204 0.967 85 HA TYR 16 HA TYR 16 -14.592 7.196 3.529 86 HB3 TYR 16 2HB TYR 16 -12.825 5.482 3.296 87 HD1 TYR 16 2HD TYR 16 -15.741 6.606 1.852 88 HD2 TYR 16 1HD TYR 16 -12.760 3.622 1.297 89 HE1 TYR 16 2HE TYR 16 -17.352 5.240 0.594 90 HE2 TYR 16 1HE TYR 16 -14.363 2.246 0.037 91 HH TYR 16 HH TYR 16 -17.149 3.378 -1.240 92 H LYS 17 H LYS 17 -12.370 6.500 4.860 93 HA LYS 17 HA LYS 17 -10.493 8.687 4.997 94 HB3 LYS 17 2HB LYS 17 -12.676 8.330 7.009 95 HG3 LYS 17 2HG LYS 17 -10.897 10.056 8.222 96 HD3 LYS 17 2HD LYS 17 -10.553 7.825 9.676 97 HE3 LYS 17 2HE LYS 17 -12.460 9.969 9.575 98 HZ1 LYS 17 3HZ LYS 17 -14.317 8.710 9.555 99 HZ2 LYS 17 1HZ LYS 17 -13.959 8.521 11.198 100 HZ3 LYS 17 2HZ LYS 17 -13.532 7.313 10.096 101 H CYS 18 H CYS 18 -8.598 8.119 5.982 102 HA CYS 18 HA CYS 18 -8.018 5.386 6.290 103 HB3 CYS 18 2HB CYS 18 -6.525 7.881 7.095 104 H GLU 19 H GLU 19 -7.800 4.077 8.056 105 HA GLU 19 HA GLU 19 -9.218 4.907 10.441 106 HB3 GLU 19 2HB GLU 19 -8.548 2.453 11.099 107 HG3 GLU 19 2HG GLU 19 -10.484 1.587 10.155 108 H LYS 20 H LYS 20 -6.595 6.093 9.812 109 HA LYS 20 HA LYS 20 -5.284 5.464 12.361 110 HB3 LYS 20 2HB LYS 20 -3.317 6.211 10.398 111 HG3 LYS 20 2HG LYS 20 -3.769 3.793 12.113 112 HD3 LYS 20 2HD LYS 20 -1.412 4.302 10.298 113 HE3 LYS 20 2HE LYS 20 -0.641 2.134 11.025 114 HZ1 LYS 20 3HZ LYS 20 -0.553 4.313 12.571 115 HZ2 LYS 20 1HZ LYS 20 0.237 2.862 12.939 116 HZ3 LYS 20 2HZ LYS 20 -1.263 3.210 13.640 117 H CYS 21 H CYS 21 -4.746 7.662 9.601 118 HA CYS 21 HA CYS 21 -4.410 9.871 11.484 119 HB3 CYS 21 2HB CYS 21 -2.662 9.743 9.868 120 H HIS 22 H HIS 22 -6.927 8.476 9.983 121 HA HIS 22 HA HIS 22 -9.045 9.118 9.455 122 HB3 HIS 22 2HB HIS 22 -9.922 10.479 11.007 123 HD2 HIS 22 2HD HIS 22 -7.806 8.624 12.457 124 HE1 HIS 22 1HE HIS 22 -6.436 12.125 14.424 125 HE2 HIS 22 2HE HIS 22 -6.390 9.607 14.385 126 H LEU 23 H LEU 23 -6.792 9.732 7.652 127 HA LEU 23 HA LEU 23 -7.308 12.238 6.391 128 HB3 LEU 23 2HB LEU 23 -6.073 10.713 4.483 129 HG LEU 23 HG LEU 23 -4.888 12.338 6.703 130 HD11 LEU 23 1HD1 LEU 23 -2.875 11.448 6.469 131 HD12 LEU 23 2HD1 LEU 23 -2.926 11.739 4.731 132 HD13 LEU 23 3HD1 LEU 23 -3.546 10.225 5.390 133 HD21 LEU 23 3HD2 LEU 23 -4.498 13.925 5.055 134 HD22 LEU 23 1HD2 LEU 23 -6.057 13.246 4.586 135 HD23 LEU 23 2HD2 LEU 23 -4.589 12.740 3.751 136 H VAL 24 H VAL 24 -9.030 12.715 5.213 137 HA VAL 24 HA VAL 24 -10.892 10.775 4.311 138 HB VAL 24 HB VAL 24 -10.593 13.721 3.788 139 HG11 VAL 24 1HG1 VAL 24 -12.510 11.781 2.538 140 HG12 VAL 24 2HG1 VAL 24 -12.927 13.483 2.752 141 HG13 VAL 24 3HG1 VAL 24 -11.537 13.031 1.765 142 HG21 VAL 24 3HG2 VAL 24 -11.912 12.085 5.746 143 HG22 VAL 24 1HG2 VAL 24 -11.731 13.839 5.693 144 HG23 VAL 24 2HG2 VAL 24 -13.092 13.067 4.879 145 H LEU 25 H LEU 25 -10.498 9.403 2.705 146 HA LEU 25 HA LEU 25 -9.077 10.401 0.324 147 HB3 LEU 25 2HB LEU 25 -7.801 8.582 0.317 148 HG LEU 25 HG LEU 25 -9.014 8.244 3.025 149 HD11 LEU 25 1HD1 LEU 25 -6.826 6.426 2.585 150 HD12 LEU 25 2HD1 LEU 25 -8.178 6.052 1.518 151 HD13 LEU 25 3HD1 LEU 25 -8.424 6.119 3.263 152 HD21 LEU 25 3HD2 LEU 25 -6.516 8.425 3.566 153 HD22 LEU 25 1HD2 LEU 25 -7.339 9.870 2.980 154 HD23 LEU 25 2HD2 LEU 25 -6.324 8.929 1.886 155 H CYS 26 H CYS 26 -9.610 8.650 -1.560 156 HA CYS 26 HA CYS 26 -12.552 8.600 -1.744 157 HB3 CYS 26 2HB CYS 26 -10.440 9.215 -3.790 158 H SER 27 H SER 27 -9.727 6.743 -1.709 159 HA SER 27 HA SER 27 -11.166 4.304 -2.010 160 HB3 SER 27 2HB SER 27 -9.685 5.393 -4.337 161 HG SER 27 HG SER 27 -9.736 2.613 -4.123 162 HA PRO 28 HA PRO 28 -7.390 4.057 0.594 163 HB3 PRO 28 2HB PRO 28 -8.683 4.292 2.479 164 HG3 PRO 28 2HG PRO 28 -10.939 3.730 2.464 165 HD3 PRO 28 2HD PRO 28 -10.849 5.060 0.585 166 H LYS 29 H LYS 29 -6.934 1.735 1.945 167 HA LYS 29 HA LYS 29 -6.873 -0.277 -0.206 168 HB3 LYS 29 2HB LYS 29 -4.787 -1.090 0.727 169 HG3 LYS 29 2HG LYS 29 -3.303 0.822 0.449 170 HD3 LYS 29 2HD LYS 29 -5.630 0.670 -1.459 171 HE3 LYS 29 2HE LYS 29 -2.952 1.825 -2.147 172 HZ1 LYS 29 3HZ LYS 29 -4.343 1.239 -3.983 173 HZ2 LYS 29 1HZ LYS 29 -4.322 2.927 -3.861 174 HZ3 LYS 29 2HZ LYS 29 -5.668 2.056 -3.322 175 H GLN 30 H GLN 30 -9.133 -0.429 1.087 176 HA GLN 30 HA GLN 30 -9.593 -1.507 3.473 177 HB3 GLN 30 2HB GLN 30 -10.838 -3.192 1.429 178 HG3 GLN 30 2HG GLN 30 -11.853 -1.222 3.454 179 HE21 GLN 30 1HE2 GLN 30 -14.166 -1.340 3.828 180 HE22 GLN 30 2HE2 GLN 30 -15.228 -1.549 2.483 181 H THR 31 H THR 31 -8.888 -3.139 4.676 182 HA THR 31 HA THR 31 -7.089 -5.093 3.523 183 HB THR 31 HB THR 31 -6.446 -5.653 5.698 184 HG1 THR 31 1HG THR 31 -8.921 -4.540 6.579 185 HG21 THR 31 3HG2 THR 31 -5.723 -3.657 6.546 186 HG22 THR 31 1HG2 THR 31 -7.300 -2.888 6.381 187 HG23 THR 31 2HG2 THR 31 -6.272 -3.105 4.964 188 H GLU 32 H GLU 32 -7.724 -7.134 5.525 189 HA GLU 32 HA GLU 32 -9.976 -8.365 4.111 190 HB3 GLU 32 2HB GLU 32 -8.450 -9.991 6.036 191 HG3 GLU 32 2HG GLU 32 -8.474 -10.734 3.208 192 H CYS 33 H CYS 33 -9.883 -6.408 6.535 193 HA CYS 33 HA CYS 33 -11.610 -8.006 8.307 194 HB3 CYS 33 2HB CYS 33 -9.478 -7.016 9.271 195 H GLY 34 H GLY 34 -11.316 -5.068 6.438 196 HA2 GLY 34 1HA GLY 34 -13.577 -4.414 5.502 197 HA3 GLY 34 2HA GLY 34 -14.082 -4.353 7.185 198 H HIS 35 H HIS 35 -11.872 -3.122 8.334 199 HA HIS 35 HA HIS 35 -12.431 -0.440 8.050 200 HB3 HIS 35 2HB HIS 35 -10.143 -0.068 9.088 201 HD2 HIS 35 2HD HIS 35 -12.112 0.749 10.973 202 HE1 HIS 35 1HE HIS 35 -12.344 -3.040 12.866 203 HE2 HIS 35 2HE HIS 35 -13.034 -0.620 12.964 204 H ARG 36 H ARG 36 -10.383 1.131 7.545 205 HA ARG 36 HA ARG 36 -9.198 0.420 4.977 206 HB3 ARG 36 2HB ARG 36 -9.969 2.508 3.924 207 HG3 ARG 36 2HG ARG 36 -11.946 0.495 4.836 208 HD3 ARG 36 2HD ARG 36 -12.937 2.591 3.002 209 HE ARG 36 HE ARG 36 -14.769 1.334 3.482 210 HH11 ARG 36 1HH1 ARG 36 -12.863 1.637 6.378 211 HH12 ARG 36 2HH1 ARG 36 -13.995 0.777 7.369 212 HH21 ARG 36 1HH2 ARG 36 -16.267 0.200 4.775 213 HH22 ARG 36 2HH2 ARG 36 -15.931 -0.040 6.457 214 H PHE 37 H PHE 37 -7.473 1.844 4.332 215 HA PHE 37 HA PHE 37 -6.539 3.777 6.297 216 HB3 PHE 37 2HB PHE 37 -4.219 2.662 6.175 217 HD1 PHE 37 2HD PHE 37 -6.717 0.110 7.070 218 HD2 PHE 37 1HD PHE 37 -4.257 3.293 8.459 219 HE1 PHE 37 2HE PHE 37 -7.196 -0.539 9.394 220 HE2 PHE 37 1HE PHE 37 -4.733 2.649 10.786 221 HZ PHE 37 HZ PHE 37 -6.205 0.732 11.256 222 H CYS 38 H CYS 38 -4.579 4.949 5.508 223 HA CYS 38 HA CYS 38 -4.908 5.526 2.679 224 HB3 CYS 38 2HB CYS 38 -4.801 7.341 4.405 225 H GLU 39 H GLU 39 -2.851 6.037 1.427 226 HA GLU 39 HA GLU 39 -1.393 3.756 0.963 227 HB3 GLU 39 2HB GLU 39 0.385 5.575 0.118 228 HG3 GLU 39 2HG GLU 39 -2.309 5.211 -1.172 229 H SER 40 H SER 40 -0.128 6.637 2.650 230 HA SER 40 HA SER 40 2.281 5.630 3.484 231 HB3 SER 40 2HB SER 40 1.900 7.192 5.539 232 HG SER 40 HG SER 40 1.530 8.730 3.299 233 H CYS 41 H CYS 41 -0.212 6.049 5.953 234 HA CYS 41 HA CYS 41 0.619 4.394 7.864 235 HB3 CYS 41 2HB CYS 41 -1.784 3.869 8.386 236 H MET 42 H MET 42 -1.307 3.260 5.091 237 HA MET 42 HA MET 42 -1.448 0.578 5.686 238 HB3 MET 42 2HB MET 42 -1.167 1.959 3.019 239 HG3 MET 42 2HG MET 42 -0.626 -0.643 3.212 240 HE1 MET 42 3HE MET 42 -4.036 -1.483 5.320 241 HE2 MET 42 1HE MET 42 -2.303 -1.221 5.520 242 HE3 MET 42 2HE MET 42 -3.364 0.140 5.151 243 H ALA 43 H ALA 43 1.114 2.208 3.821 244 HA ALA 43 HA ALA 43 2.719 -0.063 3.433 245 HB1 ALA 43 3HB ALA 43 4.495 2.038 3.476 246 HB2 ALA 43 1HB ALA 43 3.590 1.473 2.072 247 HB3 ALA 43 2HB ALA 43 2.969 2.808 3.044 248 H ALA 44 H ALA 44 2.323 2.053 6.157 249 HA ALA 44 HA ALA 44 4.755 1.385 7.485 250 HB1 ALA 44 3HB ALA 44 4.136 3.060 8.801 251 HB2 ALA 44 1HB ALA 44 2.624 3.176 7.899 252 HB3 ALA 44 2HB ALA 44 2.717 2.159 9.337 253 H LEU 45 H LEU 45 1.375 0.464 8.183 254 HA LEU 45 HA LEU 45 1.859 -1.394 10.162 255 HB3 LEU 45 2HB LEU 45 -0.287 -2.396 9.570 256 HG LEU 45 HG LEU 45 -0.385 0.603 9.251 257 HD11 LEU 45 1HD1 LEU 45 -2.697 -0.921 10.278 258 HD12 LEU 45 2HD1 LEU 45 -2.385 -1.028 8.546 259 HD13 LEU 45 3HD1 LEU 45 -2.644 0.545 9.299 260 HD21 LEU 45 3HD2 LEU 45 -0.178 -1.232 11.552 261 HD22 LEU 45 1HD2 LEU 45 -1.337 0.088 11.708 262 HD23 LEU 45 2HD2 LEU 45 0.359 0.439 11.376 263 H LEU 46 H LEU 46 1.534 -2.041 6.672 264 HA LEU 46 HA LEU 46 2.002 -4.764 6.702 265 HB3 LEU 46 2HB LEU 46 2.720 -4.533 4.385 266 HG LEU 46 HG LEU 46 0.427 -2.725 5.106 267 HD11 LEU 46 1HD1 LEU 46 -0.134 -2.548 2.794 268 HD12 LEU 46 2HD1 LEU 46 1.206 -3.597 2.331 269 HD13 LEU 46 3HD1 LEU 46 1.528 -1.992 2.991 270 HD21 LEU 46 3HD2 LEU 46 -0.204 -4.920 5.513 271 HD22 LEU 46 1HD2 LEU 46 0.737 -5.548 4.159 272 HD23 LEU 46 2HD2 LEU 46 -0.755 -4.656 3.857 273 H SER 47 H SER 47 4.326 -2.107 6.702 274 HA SER 47 HA SER 47 6.663 -3.579 6.296 275 HB3 SER 47 2HB SER 47 6.286 -1.075 7.959 276 HG SER 47 HG SER 47 8.321 -2.073 8.280 277 H SER 48 H SER 48 4.522 -3.612 8.920 278 HA SER 48 HA SER 48 6.375 -4.233 10.999 279 HB3 SER 48 2HB SER 48 3.399 -4.767 10.821 280 HG SER 48 HG SER 48 3.997 -4.460 13.277 281 H SER 49 H SER 49 6.397 -6.319 12.158 282 HA SER 49 HA SER 49 6.886 -8.461 10.311 283 HB3 SER 49 2HB SER 49 7.130 -8.163 13.297 284 HG SER 49 HG SER 49 6.856 -10.249 13.394 285 H SER 50 H SER 50 4.093 -7.310 11.473 286 HA SER 50 HA SER 50 2.575 -9.573 10.773 287 HB3 SER 50 2HB SER 50 1.709 -9.456 13.427 288 HG SER 50 HG SER 50 3.493 -11.370 12.337 289 HA PRO 51 HA PRO 51 0.447 -5.453 10.847 290 HB3 PRO 51 2HB PRO 51 1.158 -4.977 8.715 291 HG3 PRO 51 2HG PRO 51 1.777 -6.673 7.250 292 HD3 PRO 51 2HD PRO 51 3.014 -7.276 9.098 293 H LYS 52 H LYS 52 -1.551 -5.374 11.644 294 HA LYS 52 HA LYS 52 -3.452 -7.497 10.889 295 HB3 LYS 52 2HB LYS 52 -4.330 -7.526 13.067 296 HG3 LYS 52 2HG LYS 52 -1.364 -7.295 13.081 297 HD3 LYS 52 2HD LYS 52 -2.821 -7.978 15.600 298 HE3 LYS 52 2HE LYS 52 -0.050 -7.206 14.790 299 HZ1 LYS 52 3HZ LYS 52 -0.143 -5.770 16.543 300 HZ2 LYS 52 1HZ LYS 52 0.259 -7.191 17.368 301 HZ3 LYS 52 2HZ LYS 52 -1.341 -6.641 17.361 302 H CYS 53 H CYS 53 -3.696 -4.341 12.528 303 HA CYS 53 HA CYS 53 -4.744 -2.730 10.659 304 HB3 CYS 53 2HB CYS 53 -6.788 -4.752 11.499 305 H THR 54 H THR 54 -4.061 -1.124 11.989 306 HA THR 54 HA THR 54 -4.140 -0.721 14.614 307 HB THR 54 HB THR 54 -4.148 1.035 12.359 308 HG1 THR 54 1HG THR 54 -2.610 0.684 14.218 309 HG21 THR 54 3HG2 THR 54 -5.152 3.030 13.442 310 HG22 THR 54 1HG2 THR 54 -5.798 1.981 14.705 311 HG23 THR 54 2HG2 THR 54 -6.341 1.793 13.037 312 H ALA 55 H ALA 55 -6.963 -0.462 12.512 313 HA ALA 55 HA ALA 55 -8.802 0.593 14.308 314 HB1 ALA 55 3HB ALA 55 -9.950 -1.468 12.604 315 HB2 ALA 55 1HB ALA 55 -10.258 0.268 12.649 316 HB3 ALA 55 2HB ALA 55 -8.892 -0.361 11.727 317 H CYS 56 H CYS 56 -8.918 -2.836 13.387 318 HA CYS 56 HA CYS 56 -9.567 -3.471 16.189 319 HB3 CYS 56 2HB CYS 56 -11.419 -3.929 14.677 320 H GLN 57 H GLN 57 -7.535 -4.223 13.470 321 HA GLN 57 HA GLN 57 -5.468 -5.241 13.482 322 HB3 GLN 57 2HB GLN 57 -4.463 -6.010 15.440 323 HG3 GLN 57 2HG GLN 57 -6.187 -4.513 17.176 324 HE21 GLN 57 1HE2 GLN 57 -3.726 -3.277 14.988 325 HE22 GLN 57 2HE2 GLN 57 -2.492 -3.092 16.184 326 H GLU 58 H GLU 58 -6.199 -6.570 11.824 327 HA GLU 58 HA GLU 58 -6.908 -9.299 12.671 328 HB3 GLU 58 2HB GLU 58 -7.984 -8.936 10.106 329 HG3 GLU 58 2HG GLU 58 -10.158 -8.686 11.717 330 H SER 59 H SER 59 -6.103 -7.621 9.628 331 HA SER 59 HA SER 59 -3.549 -8.744 9.331 332 HB3 SER 59 2HB SER 59 -4.832 -10.127 7.212 333 HG SER 59 HG SER 59 -2.975 -10.928 8.055 334 H ILE 60 H ILE 60 -2.521 -7.437 7.975 335 HA ILE 60 HA ILE 60 -4.077 -6.117 5.848 336 HB ILE 60 HB ILE 60 -1.638 -4.791 6.912 337 HG13 ILE 60 2HG1 ILE 60 -2.995 -5.536 8.908 338 HG21 ILE 60 1HG2 ILE 60 -3.849 -4.166 5.218 339 HG22 ILE 60 2HG2 ILE 60 -3.820 -3.040 6.576 340 HG23 ILE 60 3HG2 ILE 60 -2.399 -3.217 5.547 341 HD11 ILE 60 3HD1 ILE 60 -3.409 -2.683 9.110 342 HD12 ILE 60 1HD1 ILE 60 -2.335 -3.740 10.025 343 HD13 ILE 60 2HD1 ILE 60 -1.814 -3.081 8.475 344 H VAL 61 H VAL 61 -3.398 -6.507 3.852 345 HA VAL 61 HA VAL 61 -0.565 -6.935 3.318 346 HB VAL 61 HB VAL 61 -2.682 -8.968 2.611 347 HG11 VAL 61 1HG1 VAL 61 -1.189 -8.574 0.710 348 HG12 VAL 61 2HG1 VAL 61 0.208 -8.870 1.749 349 HG13 VAL 61 3HG1 VAL 61 -0.935 -10.171 1.413 350 HG21 VAL 61 3HG2 VAL 61 -1.245 -10.513 3.863 351 HG22 VAL 61 1HG2 VAL 61 -0.161 -9.179 4.252 352 HG23 VAL 61 2HG2 VAL 61 -1.810 -9.184 4.874 353 H LYS 62 H LYS 62 0.059 -6.163 1.373 354 HA LYS 62 HA LYS 62 -1.588 -4.433 -0.069 355 HB3 LYS 62 2HB LYS 62 0.786 -4.162 -0.184 356 HG3 LYS 62 2HG LYS 62 1.137 -6.646 -1.801 357 HD3 LYS 62 2HD LYS 62 2.944 -4.917 -0.116 358 HE3 LYS 62 2HE LYS 62 3.297 -7.559 -0.341 359 HZ1 LYS 62 3HZ LYS 62 3.448 -7.785 -2.643 360 HZ2 LYS 62 1HZ LYS 62 5.062 -7.771 -2.134 361 HZ3 LYS 62 2HZ LYS 62 4.381 -6.387 -2.828 362 H ASP 63 H ASP 63 -0.481 -7.706 -0.935 363 HA ASP 63 HA ASP 63 -1.770 -7.959 -3.370 364 HB3 ASP 63 2HB ASP 63 -1.269 -10.204 -3.258 365 H LYS 64 H LYS 64 -3.006 -8.805 -0.144 366 HA LYS 64 HA LYS 64 -5.611 -9.470 -1.171 367 HB3 LYS 64 2HB LYS 64 -6.174 -10.073 1.024 368 HG3 LYS 64 2HG LYS 64 -4.354 -11.330 1.949 369 HD3 LYS 64 2HD LYS 64 -3.601 -11.473 -0.909 370 HE3 LYS 64 2HE LYS 64 -3.190 -13.176 1.002 371 HZ1 LYS 64 3HZ LYS 64 -5.047 -14.868 0.969 372 HZ2 LYS 64 1HZ LYS 64 -6.041 -13.641 0.361 373 HZ3 LYS 64 2HZ LYS 64 -5.325 -13.472 1.884 374 H VAL 65 H VAL 65 -4.134 -6.607 -0.886 375 HA VAL 65 HA VAL 65 -6.424 -5.141 0.196 376 HB VAL 65 HB VAL 65 -3.577 -4.618 -0.011 377 HG11 VAL 65 1HG1 VAL 65 -4.257 -3.202 -1.886 378 HG12 VAL 65 2HG1 VAL 65 -5.439 -2.397 -0.851 379 HG13 VAL 65 3HG1 VAL 65 -3.715 -2.235 -0.514 380 HG21 VAL 65 3HG2 VAL 65 -5.908 -3.661 1.596 381 HG22 VAL 65 1HG2 VAL 65 -4.451 -4.505 2.122 382 HG23 VAL 65 2HG2 VAL 65 -4.372 -2.799 1.681 383 H PHE 66 H PHE 66 -7.576 -3.620 -0.980 384 HA PHE 66 HA PHE 66 -6.946 -3.036 -3.718 385 HB3 PHE 66 2HB PHE 66 -7.927 -5.024 -4.374 386 HD1 PHE 66 1HD PHE 66 -10.637 -3.802 -2.122 387 HD2 PHE 66 2HD PHE 66 -8.141 -7.042 -3.301 388 HE1 PHE 66 1HE PHE 66 -11.830 -5.285 -0.563 389 HE2 PHE 66 2HE PHE 66 -9.331 -8.530 -1.745 390 HZ PHE 66 HZ PHE 66 -11.179 -7.652 -0.373 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -34.431 -4.898 -13.323 2 HA2 GLY 1 1HA GLY 1 -32.300 -3.896 -13.077 3 HA3 GLY 1 2HA GLY 1 -32.951 -2.405 -13.738 4 H SER 2 H SER 2 -35.309 -2.496 -11.975 5 HA SER 2 HA SER 2 -34.664 -0.784 -10.008 6 HB3 SER 2 2HB SER 2 -36.541 -1.995 -8.632 7 HG SER 2 HG SER 2 -37.129 -1.058 -11.244 8 H SER 3 H SER 3 -33.554 -0.753 -8.155 9 HA SER 3 HA SER 3 -32.572 -3.326 -7.105 10 HB3 SER 3 2HB SER 3 -30.668 -2.175 -7.879 11 HG SER 3 HG SER 3 -30.863 0.186 -6.598 12 H GLY 4 H GLY 4 -34.620 -0.782 -6.483 13 HA2 GLY 4 1HA GLY 4 -35.117 -1.645 -3.810 14 HA3 GLY 4 2HA GLY 4 -34.278 -0.101 -3.832 15 H SER 5 H SER 5 -35.346 1.349 -5.737 16 HA SER 5 HA SER 5 -38.090 1.199 -6.202 17 HB3 SER 5 2HB SER 5 -37.330 2.759 -3.726 18 HG SER 5 HG SER 5 -39.926 2.752 -4.783 19 H SER 6 H SER 6 -35.441 3.416 -5.428 20 HA SER 6 HA SER 6 -35.973 4.840 -7.925 21 HB3 SER 6 2HB SER 6 -36.958 6.493 -6.718 22 HG SER 6 HG SER 6 -36.649 6.737 -4.475 23 H GLY 7 H GLY 7 -33.918 2.955 -6.783 24 HA2 GLY 7 1HA GLY 7 -31.516 4.524 -6.516 25 HA3 GLY 7 2HA GLY 7 -31.617 2.771 -6.585 26 H PHE 8 H PHE 8 -31.297 5.707 -8.426 27 HA PHE 8 HA PHE 8 -30.025 4.270 -10.568 28 HB3 PHE 8 2HB PHE 8 -32.432 5.913 -11.329 29 HD1 PHE 8 2HD PHE 8 -31.281 2.592 -12.453 30 HD2 PHE 8 1HD PHE 8 -31.576 6.740 -13.365 31 HE1 PHE 8 2HE PHE 8 -30.597 2.128 -14.770 32 HE2 PHE 8 1HE PHE 8 -30.892 6.281 -15.683 33 HZ PHE 8 HZ PHE 8 -30.401 3.974 -16.389 34 H VAL 9 H VAL 9 -28.263 5.572 -9.991 35 HA VAL 9 HA VAL 9 -28.193 8.120 -11.312 36 HB VAL 9 HB VAL 9 -29.152 8.517 -8.935 37 HG11 VAL 9 1HG1 VAL 9 -26.222 8.194 -8.286 38 HG12 VAL 9 2HG1 VAL 9 -27.471 8.792 -7.192 39 HG13 VAL 9 3HG1 VAL 9 -27.519 7.122 -7.757 40 HG21 VAL 9 3HG2 VAL 9 -27.771 10.623 -8.740 41 HG22 VAL 9 1HG2 VAL 9 -26.828 10.029 -10.108 42 HG23 VAL 9 2HG2 VAL 9 -28.549 10.361 -10.301 43 H LYS 10 H LYS 10 -26.065 8.948 -11.548 44 HA LYS 10 HA LYS 10 -24.009 6.894 -11.198 45 HB3 LYS 10 2HB LYS 10 -23.892 9.440 -12.824 46 HG3 LYS 10 2HG LYS 10 -21.798 7.850 -12.123 47 HD3 LYS 10 2HD LYS 10 -23.120 6.701 -14.528 48 HE3 LYS 10 2HE LYS 10 -20.331 6.013 -14.482 49 HZ1 LYS 10 3HZ LYS 10 -21.509 5.573 -16.417 50 HZ2 LYS 10 1HZ LYS 10 -20.581 6.922 -16.840 51 HZ3 LYS 10 2HZ LYS 10 -22.221 7.107 -16.470 52 H THR 11 H THR 11 -24.695 10.270 -10.444 53 HA THR 11 HA THR 11 -22.353 11.214 -9.461 54 HB THR 11 HB THR 11 -24.631 11.680 -7.634 55 HG1 THR 11 1HG THR 11 -25.972 12.451 -9.129 56 HG21 THR 11 3HG2 THR 11 -22.439 12.983 -7.800 57 HG22 THR 11 1HG2 THR 11 -23.930 13.923 -7.760 58 HG23 THR 11 2HG2 THR 11 -23.092 13.662 -9.291 59 H VAL 12 H VAL 12 -21.373 11.310 -7.367 60 HA VAL 12 HA VAL 12 -21.930 8.944 -5.696 61 HB VAL 12 HB VAL 12 -19.836 8.589 -6.829 62 HG11 VAL 12 1HG1 VAL 12 -19.581 11.354 -6.710 63 HG12 VAL 12 2HG1 VAL 12 -18.283 10.741 -5.685 64 HG13 VAL 12 3HG1 VAL 12 -18.408 10.210 -7.362 65 HG21 VAL 12 3HG2 VAL 12 -18.606 7.952 -5.006 66 HG22 VAL 12 1HG2 VAL 12 -18.885 9.469 -4.151 67 HG23 VAL 12 2HG2 VAL 12 -20.161 8.255 -4.233 68 H GLU 13 H GLU 13 -22.472 9.376 -3.664 69 HA GLU 13 HA GLU 13 -21.651 11.960 -2.511 70 HB3 GLU 13 2HB GLU 13 -23.790 11.805 -1.164 71 HG3 GLU 13 2HG GLU 13 -25.155 12.008 -3.568 72 H ASP 14 H ASP 14 -19.798 10.836 -1.659 73 HA ASP 14 HA ASP 14 -19.863 10.225 0.983 74 HB3 ASP 14 2HB ASP 14 -19.489 7.548 0.469 75 H LYS 15 H LYS 15 -17.890 9.064 1.772 76 HA LYS 15 HA LYS 15 -15.767 8.625 -0.127 77 HB3 LYS 15 2HB LYS 15 -15.663 11.044 0.027 78 HG3 LYS 15 2HG LYS 15 -14.946 10.996 2.905 79 HD3 LYS 15 2HD LYS 15 -16.538 13.044 1.397 80 HE3 LYS 15 2HE LYS 15 -15.121 14.508 2.976 81 HZ1 LYS 15 3HZ LYS 15 -17.100 14.639 3.931 82 HZ2 LYS 15 1HZ LYS 15 -16.716 13.290 4.875 83 HZ3 LYS 15 2HZ LYS 15 -17.529 13.090 3.406 84 H TYR 16 H TYR 16 -13.606 8.362 1.220 85 HA TYR 16 HA TYR 16 -14.286 6.799 3.626 86 HB3 TYR 16 2HB TYR 16 -12.515 5.254 3.077 87 HD1 TYR 16 1HD TYR 16 -13.326 6.351 -0.337 88 HD2 TYR 16 2HD TYR 16 -14.409 3.783 2.878 89 HE1 TYR 16 1HE TYR 16 -14.809 5.096 -1.846 90 HE2 TYR 16 2HE TYR 16 -15.894 2.521 1.377 91 HH TYR 16 HH TYR 16 -15.841 2.908 -2.015 92 H LYS 17 H LYS 17 -12.304 6.458 5.060 93 HA LYS 17 HA LYS 17 -10.405 8.657 5.033 94 HB3 LYS 17 2HB LYS 17 -12.589 8.357 7.052 95 HG3 LYS 17 2HG LYS 17 -10.867 10.172 8.199 96 HD3 LYS 17 2HD LYS 17 -10.448 8.015 9.739 97 HE3 LYS 17 2HE LYS 17 -12.549 10.012 9.488 98 HZ1 LYS 17 3HZ LYS 17 -13.316 7.932 11.363 99 HZ2 LYS 17 1HZ LYS 17 -13.626 7.597 9.734 100 HZ3 LYS 17 2HZ LYS 17 -14.282 8.980 10.451 101 H CYS 18 H CYS 18 -8.504 8.184 6.060 102 HA CYS 18 HA CYS 18 -7.877 5.478 6.518 103 HB3 CYS 18 2HB CYS 18 -6.404 8.022 7.209 104 H GLU 19 H GLU 19 -7.683 4.272 8.349 105 HA GLU 19 HA GLU 19 -9.063 5.253 10.697 106 HB3 GLU 19 2HB GLU 19 -8.278 2.795 11.434 107 HG3 GLU 19 2HG GLU 19 -10.340 1.924 10.748 108 H LYS 20 H LYS 20 -6.397 6.322 9.933 109 HA LYS 20 HA LYS 20 -5.061 5.820 12.504 110 HB3 LYS 20 2HB LYS 20 -3.168 6.500 10.423 111 HG3 LYS 20 2HG LYS 20 -3.475 4.253 12.379 112 HD3 LYS 20 2HD LYS 20 -1.202 4.574 10.422 113 HE3 LYS 20 2HE LYS 20 -0.437 2.469 11.279 114 HZ1 LYS 20 3HZ LYS 20 -1.136 3.846 13.774 115 HZ2 LYS 20 1HZ LYS 20 -0.158 4.648 12.651 116 HZ3 LYS 20 2HZ LYS 20 0.338 3.166 13.297 117 H CYS 21 H CYS 21 -4.747 7.936 9.645 118 HA CYS 21 HA CYS 21 -4.355 10.210 11.457 119 HB3 CYS 21 2HB CYS 21 -2.589 10.054 9.874 120 H HIS 22 H HIS 22 -6.857 8.740 10.040 121 HA HIS 22 HA HIS 22 -8.976 9.341 9.469 122 HB3 HIS 22 2HB HIS 22 -9.846 10.760 10.969 123 HD2 HIS 22 2HD HIS 22 -7.657 9.074 12.504 124 HE1 HIS 22 1HE HIS 22 -6.342 12.740 14.186 125 HE2 HIS 22 2HE HIS 22 -6.231 10.227 14.327 126 H LEU 23 H LEU 23 -6.692 9.900 7.657 127 HA LEU 23 HA LEU 23 -7.219 12.318 6.255 128 HB3 LEU 23 2HB LEU 23 -6.000 10.663 4.432 129 HG LEU 23 HG LEU 23 -4.810 12.460 6.512 130 HD11 LEU 23 1HD1 LEU 23 -2.847 11.729 4.595 131 HD12 LEU 23 2HD1 LEU 23 -3.463 10.258 5.347 132 HD13 LEU 23 3HD1 LEU 23 -2.799 11.549 6.348 133 HD21 LEU 23 3HD2 LEU 23 -5.795 13.613 4.699 134 HD22 LEU 23 1HD2 LEU 23 -5.101 12.502 3.519 135 HD23 LEU 23 2HD2 LEU 23 -4.057 13.621 4.396 136 H VAL 24 H VAL 24 -8.928 12.743 5.042 137 HA VAL 24 HA VAL 24 -10.794 10.753 4.241 138 HB VAL 24 HB VAL 24 -10.525 13.681 3.610 139 HG11 VAL 24 1HG1 VAL 24 -12.622 11.774 2.579 140 HG12 VAL 24 2HG1 VAL 24 -12.715 13.533 2.478 141 HG13 VAL 24 3HG1 VAL 24 -11.443 12.665 1.618 142 HG21 VAL 24 3HG2 VAL 24 -12.235 14.003 5.124 143 HG22 VAL 24 1HG2 VAL 24 -12.857 12.364 4.931 144 HG23 VAL 24 2HG2 VAL 24 -11.379 12.644 5.852 145 H LEU 25 H LEU 25 -10.475 9.355 2.647 146 HA LEU 25 HA LEU 25 -9.123 10.297 0.204 147 HB3 LEU 25 2HB LEU 25 -7.631 8.678 0.403 148 HG LEU 25 HG LEU 25 -9.051 8.132 2.957 149 HD11 LEU 25 1HD1 LEU 25 -6.796 6.350 2.547 150 HD12 LEU 25 2HD1 LEU 25 -8.147 5.991 1.471 151 HD13 LEU 25 3HD1 LEU 25 -8.393 6.020 3.217 152 HD21 LEU 25 3HD2 LEU 25 -7.351 9.819 2.937 153 HD22 LEU 25 1HD2 LEU 25 -6.207 8.727 2.156 154 HD23 LEU 25 2HD2 LEU 25 -6.731 8.418 3.812 155 H CYS 26 H CYS 26 -9.649 8.830 -1.713 156 HA CYS 26 HA CYS 26 -12.554 8.399 -1.734 157 HB3 CYS 26 2HB CYS 26 -11.205 8.281 -4.320 158 H SER 27 H SER 27 -9.490 6.891 -2.654 159 HA SER 27 HA SER 27 -10.896 4.303 -2.772 160 HB3 SER 27 2HB SER 27 -10.269 4.811 -5.022 161 HG SER 27 HG SER 27 -8.066 5.334 -5.507 162 HA PRO 28 HA PRO 28 -7.690 4.129 0.552 163 HB3 PRO 28 2HB PRO 28 -9.286 4.488 2.164 164 HG3 PRO 28 2HG PRO 28 -11.525 4.000 1.764 165 HD3 PRO 28 2HD PRO 28 -11.048 5.244 -0.117 166 H LYS 29 H LYS 29 -7.570 1.856 2.047 167 HA LYS 29 HA LYS 29 -7.350 -0.299 0.048 168 HB3 LYS 29 2HB LYS 29 -5.293 -1.015 1.005 169 HG3 LYS 29 2HG LYS 29 -3.809 0.923 0.901 170 HD3 LYS 29 2HD LYS 29 -6.015 0.981 -1.159 171 HE3 LYS 29 2HE LYS 29 -3.208 1.652 -1.821 172 HZ1 LYS 29 3HZ LYS 29 -4.816 1.672 -3.558 173 HZ2 LYS 29 1HZ LYS 29 -4.396 3.279 -3.243 174 HZ3 LYS 29 2HZ LYS 29 -5.864 2.663 -2.675 175 H GLN 30 H GLN 30 -9.663 -0.299 1.255 176 HA GLN 30 HA GLN 30 -10.228 -1.161 3.711 177 HB3 GLN 30 2HB GLN 30 -11.401 -2.929 1.653 178 HG3 GLN 30 2HG GLN 30 -12.596 -0.988 3.617 179 HE21 GLN 30 1HE2 GLN 30 -14.857 -2.156 4.174 180 HE22 GLN 30 2HE2 GLN 30 -15.872 -2.333 2.787 181 H THR 31 H THR 31 -9.063 -2.442 4.990 182 HA THR 31 HA THR 31 -7.433 -4.566 4.104 183 HB THR 31 HB THR 31 -7.042 -5.081 6.403 184 HG1 THR 31 1HG THR 31 -9.527 -3.800 6.783 185 HG21 THR 31 3HG2 THR 31 -7.569 -2.120 6.420 186 HG22 THR 31 1HG2 THR 31 -6.262 -2.833 5.475 187 HG23 THR 31 2HG2 THR 31 -6.280 -3.010 7.229 188 H GLU 32 H GLU 32 -7.934 -6.662 5.845 189 HA GLU 32 HA GLU 32 -10.216 -7.902 4.525 190 HB3 GLU 32 2HB GLU 32 -8.508 -9.401 6.449 191 HG3 GLU 32 2HG GLU 32 -10.063 -10.766 5.367 192 H CYS 33 H CYS 33 -10.159 -5.955 6.958 193 HA CYS 33 HA CYS 33 -11.891 -7.591 8.693 194 HB3 CYS 33 2HB CYS 33 -9.734 -6.701 9.698 195 H GLY 34 H GLY 34 -11.544 -4.642 6.878 196 HA2 GLY 34 1HA GLY 34 -13.837 -3.930 6.027 197 HA3 GLY 34 2HA GLY 34 -14.242 -3.806 7.732 198 H HIS 35 H HIS 35 -11.981 -2.627 8.763 199 HA HIS 35 HA HIS 35 -12.423 0.070 8.351 200 HB3 HIS 35 2HB HIS 35 -10.172 0.401 9.432 201 HD2 HIS 35 2HD HIS 35 -12.256 1.241 11.222 202 HE1 HIS 35 1HE HIS 35 -12.364 -2.468 13.279 203 HE2 HIS 35 2HE HIS 35 -13.157 -0.078 13.257 204 H ARG 36 H ARG 36 -10.431 1.575 7.734 205 HA ARG 36 HA ARG 36 -9.153 0.655 5.276 206 HB3 ARG 36 2HB ARG 36 -9.868 2.848 4.175 207 HG3 ARG 36 2HG ARG 36 -11.628 0.510 4.632 208 HD3 ARG 36 2HD ARG 36 -12.654 2.599 2.808 209 HE ARG 36 HE ARG 36 -14.204 0.913 2.883 210 HH11 ARG 36 1HH1 ARG 36 -13.237 1.731 6.125 211 HH12 ARG 36 2HH1 ARG 36 -14.453 0.750 6.875 212 HH21 ARG 36 1HH2 ARG 36 -15.809 -0.382 3.857 213 HH22 ARG 36 2HH2 ARG 36 -15.915 -0.453 5.583 214 H PHE 37 H PHE 37 -7.382 1.977 4.599 215 HA PHE 37 HA PHE 37 -6.500 4.028 6.490 216 HB3 PHE 37 2HB PHE 37 -4.158 2.958 6.322 217 HD1 PHE 37 1HD PHE 37 -6.704 0.471 7.321 218 HD2 PHE 37 2HD PHE 37 -4.035 3.532 8.594 219 HE1 PHE 37 1HE PHE 37 -7.116 -0.152 9.665 220 HE2 PHE 37 2HE PHE 37 -4.440 2.913 10.941 221 HZ PHE 37 HZ PHE 37 -5.982 1.069 11.479 222 H CYS 38 H CYS 38 -4.393 5.061 5.636 223 HA CYS 38 HA CYS 38 -4.846 5.674 2.814 224 HB3 CYS 38 2HB CYS 38 -4.735 7.515 4.505 225 H GLU 39 H GLU 39 -2.865 6.125 1.478 226 HA GLU 39 HA GLU 39 -1.389 3.890 1.000 227 HB3 GLU 39 2HB GLU 39 0.405 5.708 0.187 228 HG3 GLU 39 2HG GLU 39 -2.160 5.852 -1.292 229 H SER 40 H SER 40 -0.058 6.728 2.710 230 HA SER 40 HA SER 40 2.329 5.658 3.529 231 HB3 SER 40 2HB SER 40 2.034 7.221 5.574 232 HG SER 40 HG SER 40 2.014 9.089 4.050 233 H CYS 41 H CYS 41 -0.088 6.142 6.050 234 HA CYS 41 HA CYS 41 0.717 4.419 7.913 235 HB3 CYS 41 2HB CYS 41 -1.662 4.046 8.550 236 H MET 42 H MET 42 -1.224 3.452 5.099 237 HA MET 42 HA MET 42 -1.539 0.763 5.681 238 HB3 MET 42 2HB MET 42 -1.223 2.166 3.029 239 HG3 MET 42 2HG MET 42 -0.854 -0.472 3.190 240 HE1 MET 42 3HE MET 42 -3.453 0.379 5.246 241 HE2 MET 42 1HE MET 42 -4.206 -1.211 5.362 242 HE3 MET 42 2HE MET 42 -2.453 -1.056 5.483 243 H ALA 43 H ALA 43 1.103 2.331 3.888 244 HA ALA 43 HA ALA 43 2.574 -0.033 3.414 245 HB1 ALA 43 3HB ALA 43 3.149 2.881 3.265 246 HB2 ALA 43 1HB ALA 43 4.505 1.753 3.240 247 HB3 ALA 43 2HB ALA 43 3.243 1.643 2.013 248 H ALA 44 H ALA 44 2.334 2.092 6.151 249 HA ALA 44 HA ALA 44 4.752 1.328 7.437 250 HB1 ALA 44 3HB ALA 44 2.714 3.186 7.900 251 HB2 ALA 44 1HB ALA 44 2.715 2.121 9.306 252 HB3 ALA 44 2HB ALA 44 4.193 2.960 8.835 253 H LEU 45 H LEU 45 1.371 0.504 8.242 254 HA LEU 45 HA LEU 45 1.875 -1.425 10.146 255 HB3 LEU 45 2HB LEU 45 -0.336 -2.273 9.722 256 HG LEU 45 HG LEU 45 -0.294 0.703 9.234 257 HD11 LEU 45 1HD1 LEU 45 -2.380 -0.512 8.464 258 HD12 LEU 45 2HD1 LEU 45 -2.608 0.762 9.661 259 HD13 LEU 45 3HD1 LEU 45 -2.642 -0.930 10.157 260 HD21 LEU 45 3HD2 LEU 45 -1.274 0.276 11.733 261 HD22 LEU 45 1HD2 LEU 45 0.408 0.658 11.364 262 HD23 LEU 45 2HD2 LEU 45 -0.084 -1.019 11.598 263 H LEU 46 H LEU 46 1.305 -1.985 6.671 264 HA LEU 46 HA LEU 46 1.687 -4.719 6.617 265 HB3 LEU 46 2HB LEU 46 2.296 -4.449 4.260 266 HG LEU 46 HG LEU 46 0.079 -2.585 5.099 267 HD11 LEU 46 1HD1 LEU 46 0.512 -3.688 2.340 268 HD12 LEU 46 2HD1 LEU 46 1.119 -2.107 2.830 269 HD13 LEU 46 3HD1 LEU 46 -0.613 -2.434 2.861 270 HD21 LEU 46 3HD2 LEU 46 -1.296 -4.505 4.185 271 HD22 LEU 46 1HD2 LEU 46 -0.458 -4.802 5.708 272 HD23 LEU 46 2HD2 LEU 46 0.191 -5.455 4.203 273 H SER 47 H SER 47 4.051 -2.163 6.836 274 HA SER 47 HA SER 47 6.272 -3.995 6.412 275 HB3 SER 47 2HB SER 47 6.348 -1.062 7.157 276 HG SER 47 HG SER 47 8.336 -2.395 5.711 277 H SER 48 H SER 48 4.361 -4.050 8.779 278 HA SER 48 HA SER 48 6.291 -3.659 10.956 279 HB3 SER 48 2HB SER 48 3.303 -4.141 11.095 280 HG SER 48 HG SER 48 3.749 -3.285 13.287 281 H SER 49 H SER 49 5.791 -5.984 8.909 282 HA SER 49 HA SER 49 6.311 -8.211 8.947 283 HB3 SER 49 2HB SER 49 6.347 -8.572 11.863 284 HG SER 49 HG SER 49 8.160 -8.986 9.725 285 H SER 50 H SER 50 4.317 -7.474 11.815 286 HA SER 50 HA SER 50 2.360 -9.447 10.832 287 HB3 SER 50 2HB SER 50 2.323 -8.816 13.716 288 HG SER 50 HG SER 50 2.142 -11.140 13.745 289 HA PRO 51 HA PRO 51 0.374 -5.242 11.007 290 HB3 PRO 51 2HB PRO 51 0.868 -4.816 8.803 291 HG3 PRO 51 2HG PRO 51 1.293 -6.550 7.313 292 HD3 PRO 51 2HD PRO 51 2.706 -7.150 9.033 293 H LYS 52 H LYS 52 -1.666 -4.924 11.713 294 HA LYS 52 HA LYS 52 -3.610 -7.107 11.342 295 HB3 LYS 52 2HB LYS 52 -4.402 -6.820 13.586 296 HG3 LYS 52 2HG LYS 52 -1.642 -7.459 13.120 297 HD3 LYS 52 2HD LYS 52 -2.042 -6.845 15.983 298 HE3 LYS 52 2HE LYS 52 0.400 -6.126 14.474 299 HZ1 LYS 52 3HZ LYS 52 1.125 -7.701 16.494 300 HZ2 LYS 52 1HZ LYS 52 -0.333 -7.098 17.106 301 HZ3 LYS 52 2HZ LYS 52 0.898 -6.031 16.649 302 H CYS 53 H CYS 53 -3.743 -3.863 12.805 303 HA CYS 53 HA CYS 53 -4.850 -2.318 10.929 304 HB3 CYS 53 2HB CYS 53 -6.875 -4.315 11.870 305 H THR 54 H THR 54 -4.002 -0.779 12.302 306 HA THR 54 HA THR 54 -4.149 -0.325 14.915 307 HB THR 54 HB THR 54 -3.885 1.371 12.653 308 HG1 THR 54 1HG THR 54 -2.280 1.479 14.092 309 HG21 THR 54 3HG2 THR 54 -4.862 3.460 13.579 310 HG22 THR 54 1HG2 THR 54 -5.690 2.492 14.799 311 HG23 THR 54 2HG2 THR 54 -6.079 2.279 13.092 312 H ALA 55 H ALA 55 -6.878 -0.047 12.724 313 HA ALA 55 HA ALA 55 -8.715 1.249 14.351 314 HB1 ALA 55 3HB ALA 55 -10.201 0.778 12.735 315 HB2 ALA 55 1HB ALA 55 -8.792 0.170 11.864 316 HB3 ALA 55 2HB ALA 55 -9.829 -0.946 12.755 317 H CYS 56 H CYS 56 -8.902 -2.253 13.758 318 HA CYS 56 HA CYS 56 -9.668 -2.593 16.584 319 HB3 CYS 56 2HB CYS 56 -11.526 -3.083 15.098 320 H GLN 57 H GLN 57 -7.514 -3.528 14.074 321 HA GLN 57 HA GLN 57 -5.520 -4.659 14.240 322 HB3 GLN 57 2HB GLN 57 -5.987 -6.009 16.790 323 HG3 GLN 57 2HG GLN 57 -3.859 -4.419 15.502 324 HE21 GLN 57 1HE2 GLN 57 -4.163 -2.466 16.768 325 HE22 GLN 57 2HE2 GLN 57 -3.488 -2.380 18.357 326 H GLU 58 H GLU 58 -6.290 -5.979 12.563 327 HA GLU 58 HA GLU 58 -7.104 -8.665 13.445 328 HB3 GLU 58 2HB GLU 58 -8.161 -8.456 10.914 329 HG3 GLU 58 2HG GLU 58 -9.926 -7.588 13.122 330 H SER 59 H SER 59 -6.599 -7.549 10.151 331 HA SER 59 HA SER 59 -3.911 -8.515 9.965 332 HB3 SER 59 2HB SER 59 -5.554 -10.090 8.114 333 HG SER 59 HG SER 59 -3.841 -11.284 8.295 334 H ILE 60 H ILE 60 -2.937 -7.347 8.451 335 HA ILE 60 HA ILE 60 -4.584 -6.209 6.288 336 HB ILE 60 HB ILE 60 -2.018 -4.916 7.071 337 HG13 ILE 60 2HG1 ILE 60 -3.311 -5.375 9.192 338 HG21 ILE 60 1HG2 ILE 60 -2.802 -3.188 5.874 339 HG22 ILE 60 2HG2 ILE 60 -3.933 -4.370 5.219 340 HG23 ILE 60 3HG2 ILE 60 -4.424 -3.327 6.553 341 HD11 ILE 60 3HD1 ILE 60 -3.598 -2.534 9.225 342 HD12 ILE 60 1HD1 ILE 60 -2.401 -3.547 10.030 343 HD13 ILE 60 2HD1 ILE 60 -2.110 -2.975 8.388 344 H VAL 61 H VAL 61 -4.125 -6.981 4.346 345 HA VAL 61 HA VAL 61 -1.344 -7.538 3.633 346 HB VAL 61 HB VAL 61 -3.597 -9.526 3.391 347 HG11 VAL 61 1HG1 VAL 61 -1.200 -9.161 1.722 348 HG12 VAL 61 2HG1 VAL 61 -1.483 -10.805 2.299 349 HG13 VAL 61 3HG1 VAL 61 -2.724 -9.972 1.362 350 HG21 VAL 61 3HG2 VAL 61 -1.203 -10.699 4.281 351 HG22 VAL 61 1HG2 VAL 61 -1.379 -9.188 5.174 352 HG23 VAL 61 2HG2 VAL 61 -2.668 -10.392 5.214 353 H LYS 62 H LYS 62 -0.976 -6.303 1.920 354 HA LYS 62 HA LYS 62 -2.595 -4.880 0.352 355 HB3 LYS 62 2HB LYS 62 -0.297 -4.669 -0.078 356 HG3 LYS 62 2HG LYS 62 -0.214 -7.563 -0.909 357 HD3 LYS 62 2HD LYS 62 2.237 -7.162 -0.987 358 HE3 LYS 62 2HE LYS 62 1.392 -5.161 -2.914 359 HZ1 LYS 62 3HZ LYS 62 3.238 -6.987 -2.933 360 HZ2 LYS 62 1HZ LYS 62 2.477 -6.520 -4.370 361 HZ3 LYS 62 2HZ LYS 62 2.010 -7.946 -3.592 362 H ASP 63 H ASP 63 -1.838 -8.299 -0.248 363 HA ASP 63 HA ASP 63 -3.297 -8.652 -2.585 364 HB3 ASP 63 2HB ASP 63 -3.471 -10.936 -0.767 365 H LYS 64 H LYS 64 -4.360 -8.941 0.785 366 HA LYS 64 HA LYS 64 -7.107 -9.401 -0.070 367 HB3 LYS 64 2HB LYS 64 -7.568 -10.058 2.110 368 HG3 LYS 64 2HG LYS 64 -5.724 -11.391 2.987 369 HD3 LYS 64 2HD LYS 64 -5.354 -11.699 0.063 370 HE3 LYS 64 2HE LYS 64 -6.245 -13.535 2.286 371 HZ1 LYS 64 3HZ LYS 64 -6.864 -14.908 0.680 372 HZ2 LYS 64 1HZ LYS 64 -5.260 -14.968 0.147 373 HZ3 LYS 64 2HZ LYS 64 -6.333 -13.851 -0.530 374 H VAL 65 H VAL 65 -5.606 -6.801 -0.410 375 HA VAL 65 HA VAL 65 -7.339 -5.038 1.180 376 HB VAL 65 HB VAL 65 -4.591 -4.831 0.263 377 HG11 VAL 65 1HG1 VAL 65 -5.508 -3.424 -1.480 378 HG12 VAL 65 2HG1 VAL 65 -6.425 -2.500 -0.288 379 HG13 VAL 65 3HG1 VAL 65 -4.663 -2.431 -0.293 380 HG21 VAL 65 3HG2 VAL 65 -6.355 -3.694 2.361 381 HG22 VAL 65 1HG2 VAL 65 -4.787 -4.488 2.505 382 HG23 VAL 65 2HG2 VAL 65 -4.880 -2.811 1.965 383 H PHE 66 H PHE 66 -8.779 -3.686 0.237 384 HA PHE 66 HA PHE 66 -8.742 -2.788 -2.406 385 HB3 PHE 66 2HB PHE 66 -9.199 -4.848 -3.344 386 HD1 PHE 66 2HD PHE 66 -10.947 -4.647 -0.103 387 HD2 PHE 66 1HD PHE 66 -9.681 -7.158 -3.297 388 HE1 PHE 66 2HE PHE 66 -11.511 -6.631 1.238 389 HE2 PHE 66 1HE PHE 66 -10.245 -9.146 -1.961 390 HZ PHE 66 HZ PHE 66 -11.160 -8.884 0.310 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -49.679 16.221 17.303 2 HA2 GLY 1 1HA GLY 1 -50.597 14.531 15.101 3 HA3 GLY 1 2HA GLY 1 -49.924 16.099 14.679 4 H SER 2 H SER 2 -47.896 15.962 14.021 5 HA SER 2 HA SER 2 -46.180 13.870 15.183 6 HB3 SER 2 2HB SER 2 -45.471 15.294 12.646 7 HG SER 2 HG SER 2 -44.841 12.991 12.244 8 H SER 3 H SER 3 -43.937 14.388 15.551 9 HA SER 3 HA SER 3 -43.529 16.679 17.055 10 HB3 SER 3 2HB SER 3 -41.078 15.688 15.796 11 HG SER 3 HG SER 3 -41.152 15.011 18.287 12 H GLY 4 H GLY 4 -42.221 18.556 16.688 13 HA2 GLY 4 1HA GLY 4 -42.811 19.876 14.256 14 HA3 GLY 4 2HA GLY 4 -41.729 20.465 15.509 15 H SER 5 H SER 5 -39.635 18.928 15.579 16 HA SER 5 HA SER 5 -37.930 19.619 13.649 17 HB3 SER 5 2HB SER 5 -36.852 17.241 14.027 18 HG SER 5 HG SER 5 -36.968 18.399 16.474 19 H SER 6 H SER 6 -37.570 19.270 11.548 20 HA SER 6 HA SER 6 -38.287 16.869 10.194 21 HB3 SER 6 2HB SER 6 -39.842 19.251 9.224 22 HG SER 6 HG SER 6 -40.923 17.738 8.121 23 H GLY 7 H GLY 7 -35.916 17.458 10.012 24 HA2 GLY 7 1HA GLY 7 -35.007 19.600 8.453 25 HA3 GLY 7 2HA GLY 7 -34.150 18.084 8.688 26 H PHE 8 H PHE 8 -34.578 19.877 6.303 27 HA PHE 8 HA PHE 8 -36.267 18.699 4.429 28 HB3 PHE 8 2HB PHE 8 -35.049 19.888 2.763 29 HD1 PHE 8 1HD PHE 8 -36.967 20.641 5.034 30 HD2 PHE 8 2HD PHE 8 -33.265 22.274 3.711 31 HE1 PHE 8 1HE PHE 8 -37.624 22.839 5.921 32 HE2 PHE 8 2HE PHE 8 -33.916 24.475 4.598 33 HZ PHE 8 HZ PHE 8 -36.097 24.759 5.704 34 H VAL 9 H VAL 9 -35.995 17.127 2.860 35 HA VAL 9 HA VAL 9 -34.329 14.929 3.565 36 HB VAL 9 HB VAL 9 -36.465 14.502 2.527 37 HG11 VAL 9 1HG1 VAL 9 -35.987 15.180 -0.190 38 HG12 VAL 9 2HG1 VAL 9 -37.248 15.779 0.890 39 HG13 VAL 9 3HG1 VAL 9 -35.696 16.613 0.794 40 HG21 VAL 9 3HG2 VAL 9 -34.192 13.200 1.926 41 HG22 VAL 9 1HG2 VAL 9 -35.778 12.709 1.333 42 HG23 VAL 9 2HG2 VAL 9 -34.710 13.664 0.306 43 H LYS 10 H LYS 10 -32.180 15.501 3.452 44 HA LYS 10 HA LYS 10 -31.105 15.754 0.742 45 HB3 LYS 10 2HB LYS 10 -29.410 17.415 1.689 46 HG3 LYS 10 2HG LYS 10 -32.221 18.476 1.674 47 HD3 LYS 10 2HD LYS 10 -29.621 19.674 0.720 48 HE3 LYS 10 2HE LYS 10 -32.357 20.358 0.284 49 HZ1 LYS 10 3HZ LYS 10 -31.599 21.634 2.500 50 HZ2 LYS 10 1HZ LYS 10 -32.684 22.278 1.372 51 HZ3 LYS 10 2HZ LYS 10 -31.054 22.727 1.329 52 H THR 11 H THR 11 -29.316 14.560 0.392 53 HA THR 11 HA THR 11 -28.262 13.044 2.673 54 HB THR 11 HB THR 11 -27.431 12.294 -0.066 55 HG1 THR 11 1HG THR 11 -29.543 12.633 -0.585 56 HG21 THR 11 3HG2 THR 11 -28.634 10.203 1.456 57 HG22 THR 11 1HG2 THR 11 -27.569 11.129 2.513 58 HG23 THR 11 2HG2 THR 11 -26.938 10.418 1.027 59 H VAL 12 H VAL 12 -25.931 12.549 2.672 60 HA VAL 12 HA VAL 12 -24.346 14.781 1.577 61 HB VAL 12 HB VAL 12 -24.043 13.380 4.233 62 HG11 VAL 12 1HG1 VAL 12 -21.846 13.707 3.977 63 HG12 VAL 12 2HG1 VAL 12 -22.074 14.763 2.581 64 HG13 VAL 12 3HG1 VAL 12 -22.209 15.416 4.214 65 HG21 VAL 12 3HG2 VAL 12 -25.547 15.030 4.682 66 HG22 VAL 12 1HG2 VAL 12 -24.064 15.972 4.833 67 HG23 VAL 12 2HG2 VAL 12 -25.005 16.041 3.343 68 H GLU 13 H GLU 13 -23.448 13.827 -0.183 69 HA GLU 13 HA GLU 13 -22.284 11.170 0.029 70 HB3 GLU 13 2HB GLU 13 -21.958 11.292 -2.348 71 HG3 GLU 13 2HG GLU 13 -24.469 12.755 -2.452 72 H ASP 14 H ASP 14 -20.392 11.132 1.083 73 HA ASP 14 HA ASP 14 -18.329 13.073 0.264 74 HB3 ASP 14 2HB ASP 14 -19.124 13.259 2.650 75 H LYS 15 H LYS 15 -16.178 11.804 1.542 76 HA LYS 15 HA LYS 15 -15.949 9.334 -0.049 77 HB3 LYS 15 2HB LYS 15 -13.896 9.951 -0.785 78 HG3 LYS 15 2HG LYS 15 -15.376 11.969 -1.189 79 HD3 LYS 15 2HD LYS 15 -14.424 12.607 1.430 80 HE3 LYS 15 2HE LYS 15 -12.579 13.721 0.175 81 HZ1 LYS 15 3HZ LYS 15 -12.983 15.018 -1.559 82 HZ2 LYS 15 1HZ LYS 15 -14.131 15.926 -0.711 83 HZ3 LYS 15 2HZ LYS 15 -14.597 14.515 -1.519 84 H TYR 16 H TYR 16 -13.822 8.117 0.861 85 HA TYR 16 HA TYR 16 -14.583 7.309 3.528 86 HB3 TYR 16 2HB TYR 16 -12.920 5.531 3.235 87 HD1 TYR 16 2HD TYR 16 -15.814 6.734 1.894 88 HD2 TYR 16 1HD TYR 16 -12.875 3.764 1.096 89 HE1 TYR 16 2HE TYR 16 -17.467 5.455 0.601 90 HE2 TYR 16 1HE TYR 16 -14.520 2.475 -0.200 91 HH TYR 16 HH TYR 16 -17.015 2.256 -0.307 92 H LYS 17 H LYS 17 -12.552 6.694 4.972 93 HA LYS 17 HA LYS 17 -10.537 8.794 4.955 94 HB3 LYS 17 2HB LYS 17 -12.688 8.517 7.010 95 HG3 LYS 17 2HG LYS 17 -10.826 10.188 8.184 96 HD3 LYS 17 2HD LYS 17 -10.556 7.955 9.654 97 HE3 LYS 17 2HE LYS 17 -12.182 10.236 9.683 98 HZ1 LYS 17 3HZ LYS 17 -14.213 9.356 9.341 99 HZ2 LYS 17 1HZ LYS 17 -14.077 8.908 10.966 100 HZ3 LYS 17 2HZ LYS 17 -13.744 7.783 9.749 101 H CYS 18 H CYS 18 -8.631 8.197 5.898 102 HA CYS 18 HA CYS 18 -8.071 5.471 6.203 103 HB3 CYS 18 2HB CYS 18 -6.560 7.936 7.071 104 H GLU 19 H GLU 19 -7.841 4.140 7.958 105 HA GLU 19 HA GLU 19 -9.275 4.934 10.344 106 HB3 GLU 19 2HB GLU 19 -8.535 2.466 10.961 107 HG3 GLU 19 2HG GLU 19 -10.504 1.599 10.072 108 H LYS 20 H LYS 20 -6.630 6.115 9.711 109 HA LYS 20 HA LYS 20 -5.359 5.526 12.287 110 HB3 LYS 20 2HB LYS 20 -3.306 6.164 10.419 111 HG3 LYS 20 2HG LYS 20 -3.990 3.708 11.996 112 HD3 LYS 20 2HD LYS 20 -1.523 4.148 10.314 113 HE3 LYS 20 2HE LYS 20 -0.638 2.264 11.220 114 HZ1 LYS 20 3HZ LYS 20 -0.975 3.688 13.120 115 HZ2 LYS 20 1HZ LYS 20 -1.165 2.072 13.585 116 HZ3 LYS 20 2HZ LYS 20 -2.524 3.058 13.372 117 H CYS 21 H CYS 21 -4.678 7.618 9.480 118 HA CYS 21 HA CYS 21 -4.322 9.875 11.289 119 HB3 CYS 21 2HB CYS 21 -2.590 9.627 9.653 120 H HIS 22 H HIS 22 -6.901 8.507 9.940 121 HA HIS 22 HA HIS 22 -9.008 9.182 9.412 122 HB3 HIS 22 2HB HIS 22 -9.840 10.743 10.812 123 HD2 HIS 22 2HD HIS 22 -7.881 8.683 12.313 124 HE1 HIS 22 1HE HIS 22 -6.432 12.080 14.402 125 HE2 HIS 22 2HE HIS 22 -6.512 9.564 14.324 126 H LEU 23 H LEU 23 -6.646 9.756 7.608 127 HA LEU 23 HA LEU 23 -7.129 12.140 6.185 128 HB3 LEU 23 2HB LEU 23 -6.023 10.548 4.308 129 HG LEU 23 HG LEU 23 -3.745 10.975 5.635 130 HD11 LEU 23 1HD1 LEU 23 -3.723 13.228 4.589 131 HD12 LEU 23 2HD1 LEU 23 -5.436 13.028 4.220 132 HD13 LEU 23 3HD1 LEU 23 -4.248 11.941 3.501 133 HD21 LEU 23 3HD2 LEU 23 -5.456 13.191 6.703 134 HD22 LEU 23 1HD2 LEU 23 -3.824 12.714 7.176 135 HD23 LEU 23 2HD2 LEU 23 -5.202 11.711 7.631 136 H VAL 24 H VAL 24 -8.955 12.630 5.171 137 HA VAL 24 HA VAL 24 -10.899 10.746 4.369 138 HB VAL 24 HB VAL 24 -10.521 13.666 3.753 139 HG11 VAL 24 1HG1 VAL 24 -12.932 13.457 2.860 140 HG12 VAL 24 2HG1 VAL 24 -11.598 12.995 1.802 141 HG13 VAL 24 3HG1 VAL 24 -12.537 11.753 2.631 142 HG21 VAL 24 3HG2 VAL 24 -11.269 13.402 5.946 143 HG22 VAL 24 1HG2 VAL 24 -12.753 13.687 5.037 144 HG23 VAL 24 2HG2 VAL 24 -12.320 12.050 5.527 145 H LEU 25 H LEU 25 -10.504 9.285 2.828 146 HA LEU 25 HA LEU 25 -9.276 10.217 0.316 147 HB3 LEU 25 2HB LEU 25 -7.896 8.480 0.342 148 HG LEU 25 HG LEU 25 -8.991 8.170 3.101 149 HD11 LEU 25 1HD1 LEU 25 -7.982 5.994 1.567 150 HD12 LEU 25 2HD1 LEU 25 -8.458 6.027 3.264 151 HD13 LEU 25 3HD1 LEU 25 -6.799 6.413 2.807 152 HD21 LEU 25 3HD2 LEU 25 -6.326 8.826 1.871 153 HD22 LEU 25 1HD2 LEU 25 -6.533 8.492 3.591 154 HD23 LEU 25 2HD2 LEU 25 -7.362 9.863 2.854 155 H CYS 26 H CYS 26 -9.913 8.774 -1.589 156 HA CYS 26 HA CYS 26 -12.828 8.416 -1.504 157 HB3 CYS 26 2HB CYS 26 -12.923 8.999 -3.753 158 H SER 27 H SER 27 -9.811 6.810 -2.164 159 HA SER 27 HA SER 27 -11.218 4.259 -2.286 160 HB3 SER 27 2HB SER 27 -10.911 5.021 -4.649 161 HG SER 27 HG SER 27 -8.295 4.461 -4.832 162 HA PRO 28 HA PRO 28 -7.494 4.116 0.416 163 HB3 PRO 28 2HB PRO 28 -8.826 4.325 2.276 164 HG3 PRO 28 2HG PRO 28 -11.069 3.719 2.219 165 HD3 PRO 28 2HD PRO 28 -10.972 5.050 0.341 166 H LYS 29 H LYS 29 -7.015 1.804 1.776 167 HA LYS 29 HA LYS 29 -6.856 -0.199 -0.378 168 HB3 LYS 29 2HB LYS 29 -4.710 -0.677 0.200 169 HG3 LYS 29 2HG LYS 29 -3.422 1.212 0.990 170 HD3 LYS 29 2HD LYS 29 -5.512 2.672 -0.488 171 HE3 LYS 29 2HE LYS 29 -2.672 1.979 -1.225 172 HZ1 LYS 29 3HZ LYS 29 -4.066 2.887 -3.004 173 HZ2 LYS 29 1HZ LYS 29 -2.824 3.953 -2.573 174 HZ3 LYS 29 2HZ LYS 29 -4.407 4.243 -2.052 175 H GLN 30 H GLN 30 -9.122 -0.603 0.617 176 HA GLN 30 HA GLN 30 -9.794 -1.595 2.995 177 HB3 GLN 30 2HB GLN 30 -10.624 -3.522 0.983 178 HG3 GLN 30 2HG GLN 30 -11.987 -1.460 2.668 179 HE21 GLN 30 1HE2 GLN 30 -14.350 -3.140 2.650 180 HE22 GLN 30 2HE2 GLN 30 -15.187 -2.790 1.180 181 H THR 31 H THR 31 -8.882 -2.934 4.390 182 HA THR 31 HA THR 31 -6.856 -4.804 3.583 183 HB THR 31 HB THR 31 -6.466 -5.208 5.873 184 HG1 THR 31 1HG THR 31 -8.466 -3.930 7.111 185 HG21 THR 31 3HG2 THR 31 -7.513 -2.394 5.966 186 HG22 THR 31 1HG2 THR 31 -6.098 -2.818 5.003 187 HG23 THR 31 2HG2 THR 31 -6.083 -3.067 6.749 188 H GLU 32 H GLU 32 -7.506 -6.779 5.642 189 HA GLU 32 HA GLU 32 -9.512 -8.290 4.119 190 HB3 GLU 32 2HB GLU 32 -8.060 -9.842 6.084 191 HG3 GLU 32 2HG GLU 32 -7.211 -10.864 3.802 192 H CYS 33 H CYS 33 -9.724 -6.290 6.498 193 HA CYS 33 HA CYS 33 -11.505 -7.994 8.113 194 HB3 CYS 33 2HB CYS 33 -9.396 -7.218 9.289 195 H GLY 34 H GLY 34 -11.138 -5.203 6.195 196 HA2 GLY 34 1HA GLY 34 -13.313 -4.331 5.358 197 HA3 GLY 34 2HA GLY 34 -13.808 -4.257 7.042 198 H HIS 35 H HIS 35 -11.914 -3.034 8.374 199 HA HIS 35 HA HIS 35 -12.196 -0.376 8.020 200 HB3 HIS 35 2HB HIS 35 -9.965 -0.098 9.163 201 HD2 HIS 35 2HD HIS 35 -12.030 0.679 10.977 202 HE1 HIS 35 1HE HIS 35 -12.298 -3.146 12.792 203 HE2 HIS 35 2HE HIS 35 -13.015 -0.734 12.907 204 H ARG 36 H ARG 36 -10.713 1.317 7.251 205 HA ARG 36 HA ARG 36 -9.243 0.489 4.836 206 HB3 ARG 36 2HB ARG 36 -9.946 2.685 3.841 207 HG3 ARG 36 2HG ARG 36 -11.841 0.488 4.420 208 HD3 ARG 36 2HD ARG 36 -12.765 2.901 2.897 209 HE ARG 36 HE ARG 36 -14.333 1.274 2.477 210 HH11 ARG 36 1HH1 ARG 36 -13.598 1.345 5.879 211 HH12 ARG 36 2HH1 ARG 36 -14.897 0.286 6.314 212 HH21 ARG 36 1HH2 ARG 36 -16.048 -0.121 3.037 213 HH22 ARG 36 2HH2 ARG 36 -16.291 -0.548 4.698 214 H PHE 37 H PHE 37 -7.463 1.832 4.224 215 HA PHE 37 HA PHE 37 -6.522 3.759 6.203 216 HB3 PHE 37 2HB PHE 37 -4.247 2.662 6.178 217 HD1 PHE 37 2HD PHE 37 -6.508 -0.177 6.599 218 HD2 PHE 37 1HD PHE 37 -4.662 3.151 8.505 219 HE1 PHE 37 2HE PHE 37 -7.127 -1.096 8.796 220 HE2 PHE 37 1HE PHE 37 -5.278 2.237 10.705 221 HZ PHE 37 HZ PHE 37 -6.512 0.110 10.852 222 H CYS 38 H CYS 38 -4.572 4.940 5.431 223 HA CYS 38 HA CYS 38 -4.893 5.562 2.611 224 HB3 CYS 38 2HB CYS 38 -4.747 7.327 4.414 225 H GLU 39 H GLU 39 -2.657 6.267 1.558 226 HA GLU 39 HA GLU 39 -1.275 3.927 0.955 227 HB3 GLU 39 2HB GLU 39 0.536 5.719 0.190 228 HG3 GLU 39 2HG GLU 39 -2.170 5.681 -1.121 229 H SER 40 H SER 40 0.012 6.721 2.766 230 HA SER 40 HA SER 40 2.381 5.629 3.613 231 HB3 SER 40 2HB SER 40 1.653 7.118 5.803 232 HG SER 40 HG SER 40 2.844 8.688 4.834 233 H CYS 41 H CYS 41 -0.185 6.022 6.018 234 HA CYS 41 HA CYS 41 0.560 4.319 7.919 235 HB3 CYS 41 2HB CYS 41 -1.840 3.818 8.372 236 H MET 42 H MET 42 -1.196 3.269 5.009 237 HA MET 42 HA MET 42 -1.377 0.565 5.551 238 HB3 MET 42 2HB MET 42 -1.020 2.018 2.932 239 HG3 MET 42 2HG MET 42 -0.462 -0.584 3.070 240 HE1 MET 42 3HE MET 42 -2.202 -1.240 5.309 241 HE2 MET 42 1HE MET 42 -3.262 0.122 4.946 242 HE3 MET 42 2HE MET 42 -3.926 -1.508 5.051 243 H ALA 43 H ALA 43 1.174 2.142 3.614 244 HA ALA 43 HA ALA 43 2.808 -0.113 3.352 245 HB1 ALA 43 3HB ALA 43 4.496 2.134 3.386 246 HB2 ALA 43 1HB ALA 43 3.815 1.312 1.982 247 HB3 ALA 43 2HB ALA 43 2.959 2.673 2.710 248 H ALA 44 H ALA 44 2.229 1.903 6.055 249 HA ALA 44 HA ALA 44 4.722 1.362 7.396 250 HB1 ALA 44 3HB ALA 44 2.432 2.280 9.000 251 HB2 ALA 44 1HB ALA 44 4.077 2.908 8.899 252 HB3 ALA 44 2HB ALA 44 2.894 3.330 7.661 253 H LEU 45 H LEU 45 1.326 0.486 8.064 254 HA LEU 45 HA LEU 45 1.756 -1.282 10.137 255 HB3 LEU 45 2HB LEU 45 -0.366 -2.377 9.407 256 HG LEU 45 HG LEU 45 -0.497 0.638 9.371 257 HD11 LEU 45 1HD1 LEU 45 -2.748 -1.147 10.170 258 HD12 LEU 45 2HD1 LEU 45 -2.472 -0.806 8.462 259 HD13 LEU 45 3HD1 LEU 45 -2.782 0.516 9.587 260 HD21 LEU 45 3HD2 LEU 45 -1.467 -0.306 11.776 261 HD22 LEU 45 1HD2 LEU 45 0.111 0.433 11.504 262 HD23 LEU 45 2HD2 LEU 45 -0.058 -1.322 11.469 263 H LEU 46 H LEU 46 1.451 -2.117 6.682 264 HA LEU 46 HA LEU 46 1.917 -4.822 6.830 265 HB3 LEU 46 2HB LEU 46 2.662 -4.716 4.536 266 HG LEU 46 HG LEU 46 0.546 -2.619 5.010 267 HD11 LEU 46 1HD1 LEU 46 0.114 -2.539 2.753 268 HD12 LEU 46 2HD1 LEU 46 0.902 -4.083 2.435 269 HD13 LEU 46 3HD1 LEU 46 1.875 -2.649 2.763 270 HD21 LEU 46 3HD2 LEU 46 0.308 -5.513 4.194 271 HD22 LEU 46 1HD2 LEU 46 -1.014 -4.383 4.484 272 HD23 LEU 46 2HD2 LEU 46 0.018 -4.893 5.821 273 H SER 47 H SER 47 4.247 -2.191 6.937 274 HA SER 47 HA SER 47 6.511 -3.995 6.904 275 HB3 SER 47 2HB SER 47 7.076 -1.261 7.749 276 HG SER 47 HG SER 47 7.817 -2.947 5.604 277 H SER 48 H SER 48 4.538 -4.262 9.043 278 HA SER 48 HA SER 48 6.211 -3.588 11.372 279 HB3 SER 48 2HB SER 48 3.236 -4.150 11.303 280 HG SER 48 HG SER 48 3.789 -2.905 13.463 281 H SER 49 H SER 49 5.856 -6.030 9.396 282 HA SER 49 HA SER 49 6.412 -8.242 9.576 283 HB3 SER 49 2HB SER 49 7.327 -9.107 11.548 284 HG SER 49 HG SER 49 7.829 -6.627 12.506 285 H SER 50 H SER 50 4.243 -7.358 12.267 286 HA SER 50 HA SER 50 2.394 -9.453 11.330 287 HB3 SER 50 2HB SER 50 2.647 -10.341 13.381 288 HG SER 50 HG SER 50 3.454 -8.327 14.951 289 HA PRO 51 HA PRO 51 0.347 -5.262 11.060 290 HB3 PRO 51 2HB PRO 51 1.088 -4.902 8.915 291 HG3 PRO 51 2HG PRO 51 1.726 -6.675 7.553 292 HD3 PRO 51 2HD PRO 51 2.937 -7.176 9.448 293 H LYS 52 H LYS 52 -1.593 -5.264 11.989 294 HA LYS 52 HA LYS 52 -3.514 -7.373 11.250 295 HB3 LYS 52 2HB LYS 52 -4.344 -7.394 13.422 296 HG3 LYS 52 2HG LYS 52 -1.405 -6.857 13.531 297 HD3 LYS 52 2HD LYS 52 -3.032 -7.703 15.917 298 HE3 LYS 52 2HE LYS 52 -0.172 -7.018 15.378 299 HZ1 LYS 52 3HZ LYS 52 0.172 -6.821 17.771 300 HZ2 LYS 52 1HZ LYS 52 -1.500 -6.853 18.029 301 HZ3 LYS 52 2HZ LYS 52 -0.799 -5.564 17.188 302 H CYS 53 H CYS 53 -3.767 -4.167 12.784 303 HA CYS 53 HA CYS 53 -4.813 -2.613 10.872 304 HB3 CYS 53 2HB CYS 53 -6.848 -4.629 11.739 305 H THR 54 H THR 54 -4.160 -0.963 12.158 306 HA THR 54 HA THR 54 -4.251 -0.488 14.770 307 HB THR 54 HB THR 54 -4.180 1.184 12.495 308 HG1 THR 54 1HG THR 54 -3.768 1.909 15.219 309 HG21 THR 54 3HG2 THR 54 -6.082 2.188 14.614 310 HG22 THR 54 1HG2 THR 54 -6.465 1.865 12.925 311 HG23 THR 54 2HG2 THR 54 -5.371 3.183 13.343 312 H ALA 55 H ALA 55 -7.074 -0.116 12.650 313 HA ALA 55 HA ALA 55 -8.916 0.884 14.435 314 HB1 ALA 55 3HB ALA 55 -10.264 0.639 12.690 315 HB2 ALA 55 1HB ALA 55 -8.983 -0.249 11.866 316 HB3 ALA 55 2HB ALA 55 -10.184 -1.117 12.823 317 H CYS 56 H CYS 56 -9.152 -2.530 13.522 318 HA CYS 56 HA CYS 56 -9.783 -3.150 16.329 319 HB3 CYS 56 2HB CYS 56 -11.582 -3.601 14.695 320 H GLN 57 H GLN 57 -7.773 -4.017 13.603 321 HA GLN 57 HA GLN 57 -5.701 -5.029 13.641 322 HB3 GLN 57 2HB GLN 57 -4.670 -5.707 15.620 323 HG3 GLN 57 2HG GLN 57 -6.223 -4.154 17.383 324 HE21 GLN 57 1HE2 GLN 57 -4.422 -2.486 14.957 325 HE22 GLN 57 2HE2 GLN 57 -2.962 -2.304 15.863 326 H GLU 58 H GLU 58 -6.304 -6.484 12.081 327 HA GLU 58 HA GLU 58 -7.064 -9.147 13.066 328 HB3 GLU 58 2HB GLU 58 -8.417 -7.482 11.013 329 HG3 GLU 58 2HG GLU 58 -7.547 -9.358 9.672 330 H SER 59 H SER 59 -6.146 -7.524 10.022 331 HA SER 59 HA SER 59 -3.636 -8.690 9.756 332 HB3 SER 59 2HB SER 59 -5.001 -10.172 7.714 333 HG SER 59 HG SER 59 -3.998 -11.922 9.026 334 H ILE 60 H ILE 60 -2.582 -7.560 8.252 335 HA ILE 60 HA ILE 60 -4.144 -6.330 6.078 336 HB ILE 60 HB ILE 60 -1.731 -4.907 7.062 337 HG13 ILE 60 2HG1 ILE 60 -3.039 -5.572 9.115 338 HG21 ILE 60 1HG2 ILE 60 -4.105 -3.339 6.624 339 HG22 ILE 60 2HG2 ILE 60 -2.559 -3.292 5.780 340 HG23 ILE 60 3HG2 ILE 60 -3.811 -4.421 5.264 341 HD11 ILE 60 3HD1 ILE 60 -2.318 -3.721 10.078 342 HD12 ILE 60 1HD1 ILE 60 -2.008 -3.052 8.477 343 HD13 ILE 60 2HD1 ILE 60 -3.558 -2.764 9.268 344 H VAL 61 H VAL 61 -3.544 -7.387 4.295 345 HA VAL 61 HA VAL 61 -0.661 -7.641 3.752 346 HB VAL 61 HB VAL 61 -2.803 -9.713 3.346 347 HG11 VAL 61 1HG1 VAL 61 -0.364 -9.223 1.745 348 HG12 VAL 61 2HG1 VAL 61 -0.693 -10.894 2.209 349 HG13 VAL 61 3HG1 VAL 61 -1.890 -9.981 1.289 350 HG21 VAL 61 3HG2 VAL 61 -1.856 -10.484 5.215 351 HG22 VAL 61 1HG2 VAL 61 -0.461 -10.897 4.217 352 HG23 VAL 61 2HG2 VAL 61 -0.502 -9.361 5.083 353 H LYS 62 H LYS 62 -0.039 -6.779 1.881 354 HA LYS 62 HA LYS 62 -1.535 -5.179 0.276 355 HB3 LYS 62 2HB LYS 62 0.786 -5.088 -0.043 356 HG3 LYS 62 2HG LYS 62 0.782 -7.991 -0.849 357 HD3 LYS 62 2HD LYS 62 2.686 -5.816 -1.173 358 HE3 LYS 62 2HE LYS 62 3.337 -7.315 0.979 359 HZ1 LYS 62 3HZ LYS 62 5.287 -8.648 -0.291 360 HZ2 LYS 62 1HZ LYS 62 3.994 -8.888 -1.354 361 HZ3 LYS 62 2HZ LYS 62 3.856 -9.357 0.264 362 H ASP 63 H ASP 63 -0.998 -8.653 -0.174 363 HA ASP 63 HA ASP 63 -2.309 -8.977 -2.607 364 HB3 ASP 63 2HB ASP 63 -2.872 -11.261 -1.022 365 H LYS 64 H LYS 64 -3.638 -9.344 0.678 366 HA LYS 64 HA LYS 64 -6.313 -9.715 -0.243 367 HB3 LYS 64 2HB LYS 64 -6.933 -9.802 2.030 368 HG3 LYS 64 2HG LYS 64 -5.305 -11.163 3.165 369 HD3 LYS 64 2HD LYS 64 -5.027 -11.752 0.226 370 HE3 LYS 64 2HE LYS 64 -3.803 -13.259 1.652 371 HZ1 LYS 64 3HZ LYS 64 -4.787 -13.046 3.750 372 HZ2 LYS 64 1HZ LYS 64 -5.152 -14.628 3.274 373 HZ3 LYS 64 2HZ LYS 64 -6.333 -13.421 3.177 374 H VAL 65 H VAL 65 -4.428 -7.059 -0.363 375 HA VAL 65 HA VAL 65 -6.653 -5.200 0.156 376 HB VAL 65 HB VAL 65 -3.743 -4.459 -0.129 377 HG11 VAL 65 1HG1 VAL 65 -5.084 -2.566 -0.504 378 HG12 VAL 65 2HG1 VAL 65 -6.212 -3.006 0.779 379 HG13 VAL 65 3HG1 VAL 65 -4.589 -2.446 1.184 380 HG21 VAL 65 3HG2 VAL 65 -4.804 -4.284 2.558 381 HG22 VAL 65 1HG2 VAL 65 -4.837 -5.940 1.950 382 HG23 VAL 65 2HG2 VAL 65 -3.320 -5.041 1.980 383 H PHE 66 H PHE 66 -6.960 -3.433 -1.331 384 HA PHE 66 HA PHE 66 -7.182 -2.492 -3.392 385 HB3 PHE 66 2HB PHE 66 -5.393 -2.682 -4.999 386 HD1 PHE 66 2HD PHE 66 -3.524 -3.983 -2.142 387 HD2 PHE 66 1HD PHE 66 -5.001 -0.488 -4.071 388 HE1 PHE 66 2HE PHE 66 -2.046 -2.594 -0.750 389 HE2 PHE 66 1HE PHE 66 -3.524 0.906 -2.682 390 HZ PHE 66 HZ PHE 66 -2.044 -0.147 -1.018 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -39.078 37.546 -2.797 2 HA2 GLY 1 1HA GLY 1 -41.400 37.924 -2.465 3 HA3 GLY 1 2HA GLY 1 -41.668 37.608 -4.173 4 H SER 2 H SER 2 -42.608 35.740 -4.627 5 HA SER 2 HA SER 2 -42.228 33.492 -2.760 6 HB3 SER 2 2HB SER 2 -44.457 33.133 -2.600 7 HG SER 2 HG SER 2 -45.352 35.402 -3.741 8 H SER 3 H SER 3 -42.072 31.430 -3.640 9 HA SER 3 HA SER 3 -42.268 31.035 -6.495 10 HB3 SER 3 2HB SER 3 -39.835 30.071 -6.449 11 HG SER 3 HG SER 3 -39.816 32.858 -6.354 12 H GLY 4 H GLY 4 -40.099 29.203 -4.450 13 HA2 GLY 4 1HA GLY 4 -41.584 27.359 -3.184 14 HA3 GLY 4 2HA GLY 4 -41.729 26.835 -4.855 15 H SER 5 H SER 5 -40.481 25.497 -2.556 16 HA SER 5 HA SER 5 -38.330 24.284 -3.765 17 HB3 SER 5 2HB SER 5 -36.975 26.196 -3.757 18 HG SER 5 HG SER 5 -36.870 27.619 -2.009 19 H SER 6 H SER 6 -38.086 22.426 -2.719 20 HA SER 6 HA SER 6 -38.940 22.287 0.088 21 HB3 SER 6 2HB SER 6 -39.565 20.694 -2.138 22 HG SER 6 HG SER 6 -38.712 18.717 -0.628 23 H GLY 7 H GLY 7 -36.174 22.435 -1.746 24 HA2 GLY 7 1HA GLY 7 -34.290 22.322 0.143 25 HA3 GLY 7 2HA GLY 7 -34.592 20.612 -0.124 26 H PHE 8 H PHE 8 -32.526 20.216 -0.916 27 HA PHE 8 HA PHE 8 -32.154 20.991 -3.699 28 HB3 PHE 8 2HB PHE 8 -29.613 21.310 -2.992 29 HD1 PHE 8 2HD PHE 8 -30.852 22.454 -5.092 30 HD2 PHE 8 1HD PHE 8 -30.729 23.992 -1.125 31 HE1 PHE 8 2HE PHE 8 -31.269 24.717 -5.960 32 HE2 PHE 8 1HE PHE 8 -31.146 26.258 -1.987 33 HZ PHE 8 HZ PHE 8 -31.415 26.624 -4.408 34 H VAL 9 H VAL 9 -31.045 19.494 -4.915 35 HA VAL 9 HA VAL 9 -29.687 17.278 -3.636 36 HB VAL 9 HB VAL 9 -31.872 16.364 -3.516 37 HG11 VAL 9 1HG1 VAL 9 -33.004 16.186 -5.981 38 HG12 VAL 9 2HG1 VAL 9 -33.399 17.420 -4.782 39 HG13 VAL 9 3HG1 VAL 9 -32.239 17.773 -6.064 40 HG21 VAL 9 3HG2 VAL 9 -31.012 15.146 -6.094 41 HG22 VAL 9 1HG2 VAL 9 -29.918 15.064 -4.713 42 HG23 VAL 9 2HG2 VAL 9 -31.536 14.372 -4.598 43 H LYS 10 H LYS 10 -27.877 17.121 -4.771 44 HA LYS 10 HA LYS 10 -27.805 16.470 -7.499 45 HB3 LYS 10 2HB LYS 10 -27.623 19.349 -6.831 46 HG3 LYS 10 2HG LYS 10 -25.726 18.021 -8.738 47 HD3 LYS 10 2HD LYS 10 -25.277 20.495 -9.387 48 HE3 LYS 10 2HE LYS 10 -27.568 20.166 -10.891 49 HZ1 LYS 10 3HZ LYS 10 -25.247 20.435 -11.670 50 HZ2 LYS 10 1HZ LYS 10 -26.116 19.268 -12.534 51 HZ3 LYS 10 2HZ LYS 10 -24.983 18.790 -11.372 52 H THR 11 H THR 11 -26.111 17.919 -4.773 53 HA THR 11 HA THR 11 -23.493 17.229 -5.634 54 HB THR 11 HB THR 11 -23.976 17.427 -2.722 55 HG1 THR 11 1HG THR 11 -24.129 19.858 -3.220 56 HG21 THR 11 3HG2 THR 11 -21.839 18.053 -2.791 57 HG22 THR 11 1HG2 THR 11 -22.232 19.404 -3.854 58 HG23 THR 11 2HG2 THR 11 -21.859 17.822 -4.539 59 H VAL 12 H VAL 12 -22.079 15.787 -4.192 60 HA VAL 12 HA VAL 12 -23.517 13.366 -3.359 61 HB VAL 12 HB VAL 12 -22.758 12.896 -5.609 62 HG11 VAL 12 1HG1 VAL 12 -19.908 12.940 -5.179 63 HG12 VAL 12 2HG1 VAL 12 -20.861 13.683 -6.465 64 HG13 VAL 12 3HG1 VAL 12 -20.606 14.542 -4.946 65 HG21 VAL 12 3HG2 VAL 12 -22.632 11.118 -3.888 66 HG22 VAL 12 1HG2 VAL 12 -21.463 10.907 -5.191 67 HG23 VAL 12 2HG2 VAL 12 -20.938 11.532 -3.627 68 H GLU 13 H GLU 13 -23.109 13.547 -1.210 69 HA GLU 13 HA GLU 13 -20.367 14.048 -0.323 70 HB3 GLU 13 2HB GLU 13 -21.292 14.411 1.870 71 HG3 GLU 13 2HG GLU 13 -21.985 15.996 -0.280 72 H ASP 14 H ASP 14 -19.281 12.151 -0.619 73 HA ASP 14 HA ASP 14 -19.686 10.094 1.308 74 HB3 ASP 14 2HB ASP 14 -19.813 8.859 -1.363 75 H LYS 15 H LYS 15 -17.751 9.301 1.807 76 HA LYS 15 HA LYS 15 -15.764 8.658 -0.128 77 HB3 LYS 15 2HB LYS 15 -15.299 10.982 -0.236 78 HG3 LYS 15 2HG LYS 15 -14.643 11.506 2.544 79 HD3 LYS 15 2HD LYS 15 -15.807 13.580 2.092 80 HE3 LYS 15 2HE LYS 15 -13.710 12.539 0.417 81 HZ1 LYS 15 3HZ LYS 15 -14.245 14.751 -1.053 82 HZ2 LYS 15 1HZ LYS 15 -15.768 14.025 -0.927 83 HZ3 LYS 15 2HZ LYS 15 -14.468 13.156 -1.571 84 H TYR 16 H TYR 16 -13.573 8.244 1.106 85 HA TYR 16 HA TYR 16 -14.282 6.826 3.586 86 HB3 TYR 16 2HB TYR 16 -12.541 5.244 3.090 87 HD1 TYR 16 1HD TYR 16 -13.254 6.402 -0.338 88 HD2 TYR 16 2HD TYR 16 -14.393 3.760 2.797 89 HE1 TYR 16 1HE TYR 16 -14.701 5.176 -1.905 90 HE2 TYR 16 2HE TYR 16 -15.841 2.526 1.239 91 HH TYR 16 HH TYR 16 -15.963 2.152 -1.258 92 H LYS 17 H LYS 17 -12.265 6.456 5.015 93 HA LYS 17 HA LYS 17 -10.373 8.653 5.001 94 HB3 LYS 17 2HB LYS 17 -12.580 8.386 7.002 95 HG3 LYS 17 2HG LYS 17 -10.856 10.199 8.150 96 HD3 LYS 17 2HD LYS 17 -10.470 8.052 9.713 97 HE3 LYS 17 2HE LYS 17 -12.497 10.097 9.450 98 HZ1 LYS 17 3HZ LYS 17 -14.266 9.131 10.549 99 HZ2 LYS 17 1HZ LYS 17 -13.365 7.799 11.077 100 HZ3 LYS 17 2HZ LYS 17 -13.830 7.916 9.455 101 H CYS 18 H CYS 18 -8.485 8.177 6.049 102 HA CYS 18 HA CYS 18 -7.881 5.471 6.541 103 HB3 CYS 18 2HB CYS 18 -6.399 8.016 7.208 104 H GLU 19 H GLU 19 -7.703 4.284 8.386 105 HA GLU 19 HA GLU 19 -9.103 5.293 10.710 106 HB3 GLU 19 2HB GLU 19 -8.382 2.857 11.504 107 HG3 GLU 19 2HG GLU 19 -10.363 1.906 10.507 108 H LYS 20 H LYS 20 -6.436 6.361 9.969 109 HA LYS 20 HA LYS 20 -5.124 5.878 12.555 110 HB3 LYS 20 2HB LYS 20 -3.205 6.534 10.492 111 HG3 LYS 20 2HG LYS 20 -3.546 4.302 12.458 112 HD3 LYS 20 2HD LYS 20 -1.255 4.595 10.519 113 HE3 LYS 20 2HE LYS 20 -0.229 2.915 11.616 114 HZ1 LYS 20 3HZ LYS 20 -2.161 3.673 13.741 115 HZ2 LYS 20 1HZ LYS 20 -0.703 4.465 13.405 116 HZ3 LYS 20 2HZ LYS 20 -0.689 2.876 13.986 117 H CYS 21 H CYS 21 -4.761 7.963 9.678 118 HA CYS 21 HA CYS 21 -4.384 10.254 11.469 119 HB3 CYS 21 2HB CYS 21 -2.610 10.078 9.896 120 H HIS 22 H HIS 22 -6.877 8.774 10.028 121 HA HIS 22 HA HIS 22 -8.993 9.375 9.451 122 HB3 HIS 22 2HB HIS 22 -9.871 10.816 10.926 123 HD2 HIS 22 2HD HIS 22 -7.703 9.128 12.492 124 HE1 HIS 22 1HE HIS 22 -6.389 12.799 14.162 125 HE2 HIS 22 2HE HIS 22 -6.289 10.287 14.321 126 H LEU 23 H LEU 23 -6.678 9.932 7.659 127 HA LEU 23 HA LEU 23 -7.190 12.329 6.227 128 HB3 LEU 23 2HB LEU 23 -5.979 10.650 4.423 129 HG LEU 23 HG LEU 23 -4.782 12.452 6.495 130 HD11 LEU 23 1HD1 LEU 23 -3.449 10.228 5.362 131 HD12 LEU 23 2HD1 LEU 23 -2.776 11.526 6.346 132 HD13 LEU 23 3HD1 LEU 23 -2.817 11.682 4.589 133 HD21 LEU 23 3HD2 LEU 23 -4.475 12.596 3.520 134 HD22 LEU 23 1HD2 LEU 23 -4.388 13.888 4.718 135 HD23 LEU 23 2HD2 LEU 23 -5.946 13.175 4.302 136 H VAL 24 H VAL 24 -8.917 12.753 5.036 137 HA VAL 24 HA VAL 24 -10.781 10.767 4.231 138 HB VAL 24 HB VAL 24 -10.519 13.669 3.447 139 HG11 VAL 24 1HG1 VAL 24 -13.142 12.867 3.010 140 HG12 VAL 24 2HG1 VAL 24 -11.931 13.237 1.780 141 HG13 VAL 24 3HG1 VAL 24 -12.162 11.573 2.319 142 HG21 VAL 24 3HG2 VAL 24 -12.300 14.056 5.003 143 HG22 VAL 24 1HG2 VAL 24 -12.500 12.326 5.277 144 HG23 VAL 24 2HG2 VAL 24 -11.039 13.142 5.829 145 H LEU 25 H LEU 25 -10.442 9.357 2.651 146 HA LEU 25 HA LEU 25 -9.080 10.289 0.209 147 HB3 LEU 25 2HB LEU 25 -7.630 8.628 0.383 148 HG LEU 25 HG LEU 25 -9.014 8.146 2.972 149 HD11 LEU 25 1HD1 LEU 25 -8.102 5.988 1.502 150 HD12 LEU 25 2HD1 LEU 25 -8.366 6.037 3.244 151 HD13 LEU 25 3HD1 LEU 25 -6.763 6.366 2.586 152 HD21 LEU 25 3HD2 LEU 25 -6.674 8.445 3.781 153 HD22 LEU 25 1HD2 LEU 25 -7.324 9.836 2.913 154 HD23 LEU 25 2HD2 LEU 25 -6.189 8.749 2.112 155 H CYS 26 H CYS 26 -9.607 8.784 -1.702 156 HA CYS 26 HA CYS 26 -12.517 8.344 -1.713 157 HB3 CYS 26 2HB CYS 26 -12.620 9.172 -3.830 158 H SER 27 H SER 27 -9.416 6.895 -2.323 159 HA SER 27 HA SER 27 -10.756 4.316 -2.752 160 HB3 SER 27 2HB SER 27 -8.365 5.309 -4.324 161 HG SER 27 HG SER 27 -9.612 3.104 -5.260 162 HA PRO 28 HA PRO 28 -7.607 4.111 0.643 163 HB3 PRO 28 2HB PRO 28 -9.218 4.474 2.240 164 HG3 PRO 28 2HG PRO 28 -11.457 4.016 1.811 165 HD3 PRO 28 2HD PRO 28 -10.944 5.271 -0.052 166 H LYS 29 H LYS 29 -7.530 1.823 2.119 167 HA LYS 29 HA LYS 29 -7.361 -0.334 0.119 168 HB3 LYS 29 2HB LYS 29 -5.222 -0.879 0.713 169 HG3 LYS 29 2HG LYS 29 -3.815 1.026 1.108 170 HD3 LYS 29 2HD LYS 29 -5.670 2.603 -0.390 171 HE3 LYS 29 2HE LYS 29 -3.256 0.936 -1.046 172 HZ1 LYS 29 3HZ LYS 29 -4.030 0.969 -3.140 173 HZ2 LYS 29 1HZ LYS 29 -3.500 2.576 -3.128 174 HZ3 LYS 29 2HZ LYS 29 -5.130 2.220 -2.849 175 H GLN 30 H GLN 30 -9.566 -0.690 1.114 176 HA GLN 30 HA GLN 30 -10.104 -1.406 3.694 177 HB3 GLN 30 2HB GLN 30 -11.267 -3.231 1.689 178 HG3 GLN 30 2HG GLN 30 -12.474 -1.243 3.598 179 HE21 GLN 30 1HE2 GLN 30 -14.586 -3.048 4.167 180 HE22 GLN 30 2HE2 GLN 30 -15.658 -3.042 2.812 181 H THR 31 H THR 31 -8.792 -2.601 4.931 182 HA THR 31 HA THR 31 -7.126 -4.674 4.080 183 HB THR 31 HB THR 31 -6.696 -5.149 6.348 184 HG1 THR 31 1HG THR 31 -9.349 -4.298 6.715 185 HG21 THR 31 3HG2 THR 31 -7.618 -2.291 6.499 186 HG22 THR 31 1HG2 THR 31 -6.214 -2.773 5.547 187 HG23 THR 31 2HG2 THR 31 -6.230 -3.040 7.290 188 H GLU 32 H GLU 32 -7.815 -6.670 6.103 189 HA GLU 32 HA GLU 32 -9.901 -8.062 4.581 190 HB3 GLU 32 2HB GLU 32 -8.357 -9.547 6.613 191 HG3 GLU 32 2HG GLU 32 -8.858 -10.085 3.695 192 H CYS 33 H CYS 33 -10.037 -6.066 6.970 193 HA CYS 33 HA CYS 33 -11.825 -7.719 8.631 194 HB3 CYS 33 2HB CYS 33 -9.742 -6.788 9.748 195 H GLY 34 H GLY 34 -11.407 -4.747 6.851 196 HA2 GLY 34 1HA GLY 34 -13.656 -4.080 5.848 197 HA3 GLY 34 2HA GLY 34 -14.170 -3.965 7.525 198 H HIS 35 H HIS 35 -11.917 -2.776 8.652 199 HA HIS 35 HA HIS 35 -12.400 -0.085 8.307 200 HB3 HIS 35 2HB HIS 35 -10.076 0.226 9.324 201 HD2 HIS 35 2HD HIS 35 -12.149 1.209 11.074 202 HE1 HIS 35 1HE HIS 35 -12.352 -2.410 13.282 203 HE2 HIS 35 2HE HIS 35 -13.077 -0.001 13.165 204 H ARG 36 H ARG 36 -10.379 1.450 7.742 205 HA ARG 36 HA ARG 36 -9.139 0.634 5.233 206 HB3 ARG 36 2HB ARG 36 -9.885 2.854 4.213 207 HG3 ARG 36 2HG ARG 36 -11.663 0.513 4.639 208 HD3 ARG 36 2HD ARG 36 -12.585 2.723 2.867 209 HE ARG 36 HE ARG 36 -14.085 0.989 2.660 210 HH11 ARG 36 1HH1 ARG 36 -13.491 1.642 6.028 211 HH12 ARG 36 2HH1 ARG 36 -14.781 0.629 6.586 212 HH21 ARG 36 1HH2 ARG 36 -15.786 -0.348 3.382 213 HH22 ARG 36 2HH2 ARG 36 -16.085 -0.503 5.080 214 H PHE 37 H PHE 37 -7.384 1.987 4.584 215 HA PHE 37 HA PHE 37 -6.511 4.014 6.497 216 HB3 PHE 37 2HB PHE 37 -4.166 2.929 6.360 217 HD1 PHE 37 2HD PHE 37 -6.711 0.453 7.375 218 HD2 PHE 37 1HD PHE 37 -4.089 3.564 8.625 219 HE1 PHE 37 2HE PHE 37 -7.147 -0.129 9.725 220 HE2 PHE 37 1HE PHE 37 -4.519 2.987 10.977 221 HZ PHE 37 HZ PHE 37 -6.051 1.139 11.530 222 H CYS 38 H CYS 38 -4.425 5.077 5.678 223 HA CYS 38 HA CYS 38 -4.819 5.664 2.845 224 HB3 CYS 38 2HB CYS 38 -4.721 7.509 4.536 225 H GLU 39 H GLU 39 -2.848 6.064 1.510 226 HA GLU 39 HA GLU 39 -1.366 3.832 1.073 227 HB3 GLU 39 2HB GLU 39 0.418 5.513 0.155 228 HG3 GLU 39 2HG GLU 39 -2.387 5.651 -0.925 229 H SER 40 H SER 40 -0.073 6.680 2.796 230 HA SER 40 HA SER 40 2.316 5.620 3.636 231 HB3 SER 40 2HB SER 40 1.663 7.167 5.786 232 HG SER 40 HG SER 40 2.725 7.648 3.269 233 H CYS 41 H CYS 41 -0.111 6.123 6.141 234 HA CYS 41 HA CYS 41 0.679 4.403 8.013 235 HB3 CYS 41 2HB CYS 41 -1.700 4.050 8.649 236 H MET 42 H MET 42 -1.306 3.428 5.228 237 HA MET 42 HA MET 42 -1.622 0.747 5.813 238 HB3 MET 42 2HB MET 42 -1.315 2.158 3.166 239 HG3 MET 42 2HG MET 42 -0.731 -0.207 2.851 240 HE1 MET 42 3HE MET 42 -4.697 -1.009 5.007 241 HE2 MET 42 1HE MET 42 -3.525 0.193 5.547 242 HE3 MET 42 2HE MET 42 -4.342 0.393 3.996 243 H ALA 43 H ALA 43 0.924 2.143 3.734 244 HA ALA 43 HA ALA 43 2.401 -0.208 3.416 245 HB1 ALA 43 3HB ALA 43 4.316 1.695 3.211 246 HB2 ALA 43 1HB ALA 43 3.183 1.280 1.924 247 HB3 ALA 43 2HB ALA 43 2.859 2.660 2.974 248 H ALA 44 H ALA 44 2.382 2.165 5.989 249 HA ALA 44 HA ALA 44 4.789 1.397 7.250 250 HB1 ALA 44 3HB ALA 44 4.067 2.693 9.108 251 HB2 ALA 44 1HB ALA 44 3.513 3.521 7.651 252 HB3 ALA 44 2HB ALA 44 2.378 2.573 8.614 253 H LEU 45 H LEU 45 1.405 0.501 7.907 254 HA LEU 45 HA LEU 45 1.948 -1.265 10.021 255 HB3 LEU 45 2HB LEU 45 -0.289 -2.162 9.606 256 HG LEU 45 HG LEU 45 -0.189 0.836 9.312 257 HD11 LEU 45 1HD1 LEU 45 -2.305 -0.167 8.448 258 HD12 LEU 45 2HD1 LEU 45 -2.514 0.896 9.839 259 HD13 LEU 45 3HD1 LEU 45 -2.570 -0.853 10.051 260 HD21 LEU 45 3HD2 LEU 45 -1.216 -0.215 11.787 261 HD22 LEU 45 1HD2 LEU 45 0.130 0.890 11.509 262 HD23 LEU 45 2HD2 LEU 45 0.396 -0.853 11.460 263 H LEU 46 H LEU 46 1.530 -1.860 6.545 264 HA LEU 46 HA LEU 46 1.725 -4.626 6.548 265 HB3 LEU 46 2HB LEU 46 2.567 -4.389 4.225 266 HG LEU 46 HG LEU 46 0.238 -2.610 4.924 267 HD11 LEU 46 1HD1 LEU 46 1.175 -3.494 2.198 268 HD12 LEU 46 2HD1 LEU 46 1.233 -1.849 2.829 269 HD13 LEU 46 3HD1 LEU 46 -0.323 -2.632 2.551 270 HD21 LEU 46 3HD2 LEU 46 -0.580 -4.804 3.435 271 HD22 LEU 46 1HD2 LEU 46 -0.774 -4.575 5.174 272 HD23 LEU 46 2HD2 LEU 46 0.623 -5.453 4.550 273 H SER 47 H SER 47 4.190 -2.222 6.992 274 HA SER 47 HA SER 47 6.326 -4.195 6.709 275 HB3 SER 47 2HB SER 47 7.224 -1.600 7.613 276 HG SER 47 HG SER 47 8.161 -1.767 5.384 277 H SER 48 H SER 48 4.385 -4.356 8.890 278 HA SER 48 HA SER 48 6.107 -3.807 11.211 279 HB3 SER 48 2HB SER 48 3.124 -4.297 11.037 280 HG SER 48 HG SER 48 4.062 -3.379 13.408 281 H SER 49 H SER 49 6.413 -6.069 9.366 282 HA SER 49 HA SER 49 6.532 -8.364 9.334 283 HB3 SER 49 2HB SER 49 7.568 -9.229 11.534 284 HG SER 49 HG SER 49 8.971 -7.007 10.544 285 H SER 50 H SER 50 3.920 -7.224 10.212 286 HA SER 50 HA SER 50 2.398 -9.417 10.562 287 HB3 SER 50 2HB SER 50 2.071 -9.030 13.241 288 HG SER 50 HG SER 50 4.071 -10.802 12.377 289 HA PRO 51 HA PRO 51 0.383 -5.192 10.619 290 HB3 PRO 51 2HB PRO 51 0.846 -4.790 8.405 291 HG3 PRO 51 2HG PRO 51 1.288 -6.538 6.936 292 HD3 PRO 51 2HD PRO 51 2.729 -7.086 8.649 293 H LYS 52 H LYS 52 -1.586 -4.980 11.490 294 HA LYS 52 HA LYS 52 -3.529 -7.162 11.100 295 HB3 LYS 52 2HB LYS 52 -4.267 -6.913 13.369 296 HG3 LYS 52 2HG LYS 52 -1.381 -7.291 12.921 297 HD3 LYS 52 2HD LYS 52 -2.203 -7.401 15.756 298 HE3 LYS 52 2HE LYS 52 0.300 -6.149 14.758 299 HZ1 LYS 52 3HZ LYS 52 -0.515 -7.855 17.017 300 HZ2 LYS 52 1HZ LYS 52 0.283 -6.363 17.039 301 HZ3 LYS 52 2HZ LYS 52 1.114 -7.760 16.574 302 H CYS 53 H CYS 53 -3.661 -3.942 12.611 303 HA CYS 53 HA CYS 53 -4.841 -2.385 10.792 304 HB3 CYS 53 2HB CYS 53 -6.812 -4.423 11.756 305 H THR 54 H THR 54 -3.969 -0.861 12.172 306 HA THR 54 HA THR 54 -4.058 -0.451 14.794 307 HB THR 54 HB THR 54 -3.980 1.321 12.527 308 HG1 THR 54 1HG THR 54 -2.999 1.303 15.186 309 HG21 THR 54 3HG2 THR 54 -6.036 2.292 13.261 310 HG22 THR 54 1HG2 THR 54 -4.738 3.372 13.768 311 HG23 THR 54 2HG2 THR 54 -5.502 2.299 14.941 312 H ALA 55 H ALA 55 -6.839 -0.159 12.672 313 HA ALA 55 HA ALA 55 -8.649 1.097 14.358 314 HB1 ALA 55 3HB ALA 55 -10.166 0.630 12.771 315 HB2 ALA 55 1HB ALA 55 -8.776 0.040 11.862 316 HB3 ALA 55 2HB ALA 55 -9.783 -1.091 12.766 317 H CYS 56 H CYS 56 -8.828 -2.398 13.730 318 HA CYS 56 HA CYS 56 -9.513 -2.777 16.572 319 HB3 CYS 56 2HB CYS 56 -11.411 -3.261 15.136 320 H GLN 57 H GLN 57 -7.412 -3.652 14.003 321 HA GLN 57 HA GLN 57 -5.410 -4.775 14.103 322 HB3 GLN 57 2HB GLN 57 -5.799 -6.180 16.632 323 HG3 GLN 57 2HG GLN 57 -3.726 -4.566 15.309 324 HE21 GLN 57 1HE2 GLN 57 -4.841 -2.833 17.013 325 HE22 GLN 57 2HE2 GLN 57 -3.834 -2.588 18.396 326 H GLU 58 H GLU 58 -6.173 -6.080 12.423 327 HA GLU 58 HA GLU 58 -6.966 -8.783 13.273 328 HB3 GLU 58 2HB GLU 58 -8.088 -8.588 10.794 329 HG3 GLU 58 2HG GLU 58 -10.220 -7.851 12.197 330 H SER 59 H SER 59 -6.553 -7.650 9.979 331 HA SER 59 HA SER 59 -3.849 -8.561 9.726 332 HB3 SER 59 2HB SER 59 -5.231 -10.192 7.835 333 HG SER 59 HG SER 59 -4.232 -11.738 9.634 334 H ILE 60 H ILE 60 -2.938 -7.372 8.191 335 HA ILE 60 HA ILE 60 -4.660 -6.272 6.066 336 HB ILE 60 HB ILE 60 -2.109 -4.914 6.772 337 HG13 ILE 60 2HG1 ILE 60 -3.305 -5.420 8.939 338 HG21 ILE 60 1HG2 ILE 60 -4.447 -3.266 6.414 339 HG22 ILE 60 2HG2 ILE 60 -2.954 -3.318 5.478 340 HG23 ILE 60 3HG2 ILE 60 -4.276 -4.419 5.091 341 HD11 ILE 60 3HD1 ILE 60 -1.977 -3.194 8.314 342 HD12 ILE 60 1HD1 ILE 60 -3.559 -2.497 8.659 343 HD13 ILE 60 2HD1 ILE 60 -2.733 -3.458 9.885 344 H VAL 61 H VAL 61 -4.098 -6.640 4.009 345 HA VAL 61 HA VAL 61 -1.363 -7.286 3.294 346 HB VAL 61 HB VAL 61 -3.599 -9.280 2.923 347 HG11 VAL 61 1HG1 VAL 61 -2.612 -9.918 1.038 348 HG12 VAL 61 2HG1 VAL 61 -1.303 -8.758 1.271 349 HG13 VAL 61 3HG1 VAL 61 -1.197 -10.366 1.988 350 HG21 VAL 61 3HG2 VAL 61 -1.665 -10.722 3.978 351 HG22 VAL 61 1HG2 VAL 61 -1.136 -9.155 4.591 352 HG23 VAL 61 2HG2 VAL 61 -2.741 -9.764 4.993 353 H LYS 62 H LYS 62 -0.988 -6.056 1.583 354 HA LYS 62 HA LYS 62 -2.668 -4.587 0.082 355 HB3 LYS 62 2HB LYS 62 -0.380 -4.269 -0.319 356 HG3 LYS 62 2HG LYS 62 -0.059 -7.037 -1.434 357 HD3 LYS 62 2HD LYS 62 1.512 -4.900 -1.781 358 HE3 LYS 62 2HE LYS 62 2.323 -6.116 0.849 359 HZ1 LYS 62 3HZ LYS 62 4.226 -4.316 0.276 360 HZ2 LYS 62 1HZ LYS 62 3.984 -5.021 -1.244 361 HZ3 LYS 62 2HZ LYS 62 4.405 -5.987 0.079 362 H ASP 63 H ASP 63 -1.843 -7.974 -0.551 363 HA ASP 63 HA ASP 63 -3.282 -8.269 -2.939 364 HB3 ASP 63 2HB ASP 63 -3.433 -10.756 -1.793 365 H LYS 64 H LYS 64 -4.256 -8.745 0.433 366 HA LYS 64 HA LYS 64 -6.971 -9.410 -0.361 367 HB3 LYS 64 2HB LYS 64 -7.370 -9.925 1.915 368 HG3 LYS 64 2HG LYS 64 -4.947 -10.929 2.599 369 HD3 LYS 64 2HD LYS 64 -6.978 -11.997 0.645 370 HE3 LYS 64 2HE LYS 64 -4.528 -13.244 1.817 371 HZ1 LYS 64 3HZ LYS 64 -5.411 -15.365 1.749 372 HZ2 LYS 64 1HZ LYS 64 -6.761 -14.902 0.838 373 HZ3 LYS 64 2HZ LYS 64 -6.660 -14.483 2.474 374 H VAL 65 H VAL 65 -5.219 -6.619 0.124 375 HA VAL 65 HA VAL 65 -7.283 -5.039 1.368 376 HB VAL 65 HB VAL 65 -4.520 -4.703 0.828 377 HG11 VAL 65 1HG1 VAL 65 -4.409 -2.499 -0.134 378 HG12 VAL 65 2HG1 VAL 65 -5.264 -3.568 -1.247 379 HG13 VAL 65 3HG1 VAL 65 -6.167 -2.421 -0.254 380 HG21 VAL 65 3HG2 VAL 65 -6.645 -3.447 2.439 381 HG22 VAL 65 1HG2 VAL 65 -5.045 -4.019 2.913 382 HG23 VAL 65 2HG2 VAL 65 -5.224 -2.449 2.130 383 H PHE 66 H PHE 66 -8.714 -3.674 0.410 384 HA PHE 66 HA PHE 66 -9.431 -4.162 -2.294 385 HB3 PHE 66 2HB PHE 66 -10.989 -2.147 -1.855 386 HD1 PHE 66 2HD PHE 66 -10.119 -5.416 -0.641 387 HD2 PHE 66 1HD PHE 66 -13.235 -2.522 -0.820 388 HE1 PHE 66 2HE PHE 66 -11.766 -7.160 -0.095 389 HE2 PHE 66 1HE PHE 66 -14.887 -4.261 -0.273 390 HZ PHE 66 HZ PHE 66 -14.153 -6.584 0.089
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