NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
522539 | 2l6a | 17305 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 -14.312 -14.797 -8.625 2 H2 GLY 1 HT2 GLY 1 -15.799 -14.930 -7.821 3 H3 GLY 1 HT3 GLY 1 -14.395 -15.548 -7.121 4 HA2 GLY 1 HA2 GLY 1 -13.448 -13.358 -6.949 5 HA3 GLY 1 HA3 GLY 1 -14.931 -12.696 -7.621 6 H HIS 2 HN HIS 2 -16.945 -13.190 -6.402 7 HA HIS 2 HA HIS 2 -16.390 -12.795 -3.602 8 HB2 HIS 2 HB2 HIS 2 -18.957 -12.651 -5.179 9 HB3 HIS 2 HB1 HIS 2 -18.898 -12.466 -3.428 10 HD1 HIS 2 HD1 HIS 2 -18.276 -10.140 -2.543 11 HD2 HIS 2 HD2 HIS 2 -17.581 -10.594 -6.619 12 HE1 HIS 2 HE1 HIS 2 -17.688 -7.862 -3.403 13 H MET 3 HN MET 3 -17.599 -13.897 -1.950 14 HA MET 3 HA MET 3 -18.116 -15.690 -0.740 15 HB2 MET 3 HB2 MET 3 -18.855 -17.018 -3.364 16 HB3 MET 3 HB1 MET 3 -19.169 -17.707 -1.780 17 HG2 MET 3 HG2 MET 3 -20.307 -15.136 -2.850 18 HG3 MET 3 HG1 MET 3 -21.165 -16.668 -2.688 19 HE1 MET 3 HE1 MET 3 -23.102 -15.353 -1.376 20 HE2 MET 3 HE2 MET 3 -22.186 -13.856 -1.551 21 HE3 MET 3 HE3 MET 3 -22.802 -14.334 0.031 22 H LEU 4 HN LEU 4 -15.578 -15.288 -2.308 23 HA LEU 4 HA LEU 4 -14.334 -17.883 -2.345 24 HB2 LEU 4 HB2 LEU 4 -13.634 -16.067 -3.895 25 HB3 LEU 4 HB1 LEU 4 -13.101 -15.137 -2.519 26 HG LEU 4 HG LEU 4 -11.373 -16.805 -2.031 27 HD11 LEU 4 HD11 LEU 4 -12.469 -18.781 -2.921 28 HD12 LEU 4 HD12 LEU 4 -10.879 -18.562 -3.643 29 HD13 LEU 4 HD13 LEU 4 -12.327 -18.140 -4.558 30 HD21 LEU 4 HD21 LEU 4 -10.838 -14.898 -3.445 31 HD22 LEU 4 HD22 LEU 4 -11.347 -15.796 -4.873 32 HD23 LEU 4 HD23 LEU 4 -9.937 -16.325 -3.956 33 H ARG 5 HN ARG 5 -14.492 -15.191 -0.371 34 HA ARG 5 HA ARG 5 -13.078 -16.689 1.691 35 HB2 ARG 5 HB2 ARG 5 -12.489 -14.514 2.818 36 HB3 ARG 5 HB1 ARG 5 -11.684 -14.795 1.286 37 HG2 ARG 5 HG2 ARG 5 -13.179 -13.240 0.183 38 HG3 ARG 5 HG1 ARG 5 -14.091 -13.028 1.681 39 HD2 ARG 5 HD2 ARG 5 -11.187 -12.308 1.276 40 HD3 ARG 5 HD1 ARG 5 -12.541 -11.177 1.256 41 HE ARG 5 HE ARG 5 -12.680 -12.549 3.652 42 HH11 ARG 5 HH11 ARG 5 -10.502 -10.238 2.104 43 HH12 ARG 5 HH12 ARG 5 -9.875 -9.636 3.577 44 HH21 ARG 5 HH21 ARG 5 -11.854 -11.714 5.648 45 HH22 ARG 5 HH22 ARG 5 -10.708 -10.474 5.649 46 H THR 6 HN THR 6 -14.880 -17.754 2.298 47 HA THR 6 HA THR 6 -17.157 -16.469 3.358 48 HB THR 6 HB THR 6 -17.325 -18.870 4.371 49 HG1 THR 6 HG1 THR 6 -15.783 -20.233 3.736 50 HG21 THR 6 HG21 THR 6 -18.604 -18.095 2.401 51 HG22 THR 6 HG22 THR 6 -18.047 -19.753 2.193 52 HG23 THR 6 HG23 THR 6 -17.211 -18.436 1.371 53 H ALA 7 HN ALA 7 -14.204 -17.859 4.545 54 HA ALA 7 HA ALA 7 -14.280 -16.168 6.889 55 HB1 ALA 7 HB1 ALA 7 -13.697 -19.139 6.909 56 HB2 ALA 7 HB2 ALA 7 -15.082 -18.353 7.669 57 HB3 ALA 7 HB3 ALA 7 -13.453 -18.049 8.275 58 H GLY 8 HN GLY 8 -12.512 -14.958 6.506 59 HA2 GLY 8 HA3 GLY 8 -10.022 -16.252 5.991 60 HA3 GLY 8 HA2 GLY 8 -10.622 -15.315 4.630 61 H ARG 9 HN ARG 9 -8.296 -14.638 5.699 62 HA ARG 9 HA ARG 9 -8.832 -12.034 6.840 63 HB2 ARG 9 HB2 ARG 9 -8.483 -13.603 8.743 64 HB3 ARG 9 HB1 ARG 9 -6.957 -14.096 8.055 65 HG2 ARG 9 HG2 ARG 9 -7.528 -11.287 8.983 66 HG3 ARG 9 HG1 ARG 9 -6.888 -12.546 10.030 67 HD2 ARG 9 HD2 ARG 9 -5.012 -12.793 8.344 68 HD3 ARG 9 HD1 ARG 9 -5.615 -11.312 7.600 69 HE ARG 9 HE ARG 9 -5.263 -10.941 10.349 70 HH11 ARG 9 HH11 ARG 9 -3.459 -11.090 7.301 71 HH12 ARG 9 HH12 ARG 9 -2.025 -10.476 7.934 72 HH21 ARG 9 HH21 ARG 9 -3.277 -10.055 11.233 73 HH22 ARG 9 HH22 ARG 9 -1.905 -9.838 10.253 74 H ASP 10 HN ASP 10 -7.702 -10.654 5.614 75 HA ASP 10 HA ASP 10 -5.760 -11.837 3.831 76 HB2 ASP 10 HB2 ASP 10 -6.014 -9.765 2.437 77 HB3 ASP 10 HB1 ASP 10 -7.508 -10.670 2.658 78 H GLY 11 HN GLY 11 -5.370 -8.433 4.187 79 HA2 GLY 11 HA3 GLY 11 -3.750 -7.240 5.308 80 HA3 GLY 11 HA2 GLY 11 -3.010 -8.755 5.846 81 H LEU 12 HN LEU 12 -1.761 -9.861 4.533 82 HA LEU 12 HA LEU 12 -0.052 -8.441 2.747 83 HB2 LEU 12 HB2 LEU 12 0.257 -10.639 4.214 84 HB3 LEU 12 HB1 LEU 12 -0.285 -11.415 2.757 85 HG LEU 12 HG LEU 12 2.197 -9.683 2.900 86 HD11 LEU 12 HD11 LEU 12 3.445 -11.784 2.848 87 HD12 LEU 12 HD12 LEU 12 1.929 -12.681 2.977 88 HD13 LEU 12 HD13 LEU 12 2.455 -11.642 4.301 89 HD21 LEU 12 HD21 LEU 12 1.277 -11.644 0.803 90 HD22 LEU 12 HD22 LEU 12 2.781 -10.724 0.777 91 HD23 LEU 12 HD23 LEU 12 1.230 -9.889 0.645 92 H CYS 13 HN CYS 13 -2.627 -10.773 2.368 93 HA CYS 13 HA CYS 13 -2.530 -11.288 -0.335 94 HB2 CYS 13 HB2 CYS 13 -4.921 -11.122 1.466 95 HB3 CYS 13 HB1 CYS 13 -4.854 -12.021 -0.064 96 HG CYS 13 HG CYS 13 -2.433 -13.289 1.462 97 H ARG 14 HN ARG 14 -4.273 -8.654 1.350 98 HA ARG 14 HA ARG 14 -5.382 -7.657 -1.093 99 HB2 ARG 14 HB2 ARG 14 -6.710 -7.287 0.851 100 HB3 ARG 14 HB1 ARG 14 -5.355 -6.606 1.733 101 HG2 ARG 14 HG2 ARG 14 -5.449 -4.586 0.467 102 HG3 ARG 14 HG1 ARG 14 -6.602 -5.294 -0.666 103 HD2 ARG 14 HD2 ARG 14 -7.257 -5.077 2.251 104 HD3 ARG 14 HD1 ARG 14 -7.468 -3.694 1.182 105 HE ARG 14 HE ARG 14 -8.973 -5.128 -0.153 106 HH11 ARG 14 HH11 ARG 14 -8.447 -6.179 3.199 107 HH12 ARG 14 HH12 ARG 14 -10.034 -6.743 3.404 108 HH21 ARG 14 HH21 ARG 14 -11.131 -5.913 0.155 109 HH22 ARG 14 HH22 ARG 14 -11.591 -6.602 1.644 110 H LEU 15 HN LEU 15 -2.636 -6.880 0.936 111 HA LEU 15 HA LEU 15 -1.759 -4.515 -0.175 112 HB2 LEU 15 HB2 LEU 15 -0.892 -5.468 1.825 113 HB3 LEU 15 HB1 LEU 15 -0.303 -6.883 0.974 114 HG LEU 15 HG LEU 15 1.305 -5.372 -0.215 115 HD11 LEU 15 HD11 LEU 15 0.394 -3.396 1.857 116 HD12 LEU 15 HD12 LEU 15 0.109 -3.268 0.120 117 HD13 LEU 15 HD13 LEU 15 1.752 -3.195 0.756 118 HD21 LEU 15 HD21 LEU 15 1.438 -5.523 2.782 119 HD22 LEU 15 HD22 LEU 15 2.799 -5.183 1.714 120 HD23 LEU 15 HD23 LEU 15 1.988 -6.750 1.642 121 H SER 16 HN SER 16 -0.749 -7.867 -1.013 122 HA SER 16 HA SER 16 0.856 -7.311 -3.179 123 HB2 SER 16 HB2 SER 16 -0.958 -9.694 -2.827 124 HB3 SER 16 HB1 SER 16 0.494 -9.617 -3.825 125 HG SER 16 HG SER 16 1.548 -10.140 -2.145 126 H THR 17 HN THR 17 -2.612 -8.045 -3.128 127 HA THR 17 HA THR 17 -3.123 -8.135 -5.825 128 HB THR 17 HB THR 17 -4.918 -7.219 -3.572 129 HG1 THR 17 HG1 THR 17 -4.484 -9.279 -3.104 130 HG21 THR 17 HG21 THR 17 -6.792 -7.894 -5.027 131 HG22 THR 17 HG22 THR 17 -5.649 -8.263 -6.318 132 HG23 THR 17 HG23 THR 17 -5.857 -6.598 -5.779 133 H TYR 18 HN TYR 18 -2.836 -5.285 -3.794 134 HA TYR 18 HA TYR 18 -3.625 -3.612 -6.008 135 HB2 TYR 18 HB2 TYR 18 -3.025 -3.031 -3.134 136 HB3 TYR 18 HB1 TYR 18 -3.161 -1.736 -4.323 137 HD1 TYR 18 HD1 TYR 18 -5.240 -1.521 -5.615 138 HD2 TYR 18 HD2 TYR 18 -5.010 -4.032 -2.226 139 HE1 TYR 18 HE1 TYR 18 -7.676 -1.504 -5.469 140 HE2 TYR 18 HE2 TYR 18 -7.468 -4.028 -2.056 141 HH TYR 18 HH TYR 18 -9.361 -2.402 -2.823 142 H LEU 19 HN LEU 19 -0.672 -4.492 -4.334 143 HA LEU 19 HA LEU 19 0.872 -2.499 -5.661 144 HB2 LEU 19 HB2 LEU 19 1.718 -4.999 -4.214 145 HB3 LEU 19 HB1 LEU 19 2.846 -3.828 -4.870 146 HG LEU 19 HG LEU 19 0.817 -3.286 -2.695 147 HD11 LEU 19 HD11 LEU 19 2.599 -4.698 -1.921 148 HD12 LEU 19 HD12 LEU 19 2.758 -3.078 -1.248 149 HD13 LEU 19 HD13 LEU 19 3.809 -3.589 -2.576 150 HD21 LEU 19 HD21 LEU 19 1.208 -1.289 -4.043 151 HD22 LEU 19 HD22 LEU 19 2.947 -1.499 -3.895 152 HD23 LEU 19 HD23 LEU 19 1.984 -1.114 -2.477 153 H GLU 20 HN GLU 20 -0.187 -5.651 -6.541 154 HA GLU 20 HA GLU 20 1.619 -6.127 -8.684 155 HB2 GLU 20 HB3 GLU 20 -1.224 -7.064 -8.286 156 HB3 GLU 20 HB2 GLU 20 -0.147 -7.689 -9.526 157 HG2 GLU 20 HG3 GLU 20 1.304 -8.621 -7.833 158 HG3 GLU 20 HG2 GLU 20 0.343 -7.876 -6.557 159 H GLU 21 HN GLU 21 -0.930 -3.904 -8.287 160 HA GLU 21 HA GLU 21 -1.551 -3.615 -11.095 161 HB2 GLU 21 HB3 GLU 21 -2.414 -2.089 -8.647 162 HB3 GLU 21 HB2 GLU 21 -2.953 -1.709 -10.276 163 HG2 GLU 21 HG3 GLU 21 -3.381 -4.341 -8.894 164 HG3 GLU 21 HG2 GLU 21 -4.572 -3.042 -8.997 165 H LEU 22 HN LEU 22 0.882 -2.577 -9.070 166 HA LEU 22 HA LEU 22 1.217 -0.033 -10.447 167 HB2 LEU 22 HB2 LEU 22 2.797 -1.233 -8.181 168 HB3 LEU 22 HB1 LEU 22 3.033 0.363 -8.846 169 HG LEU 22 HG LEU 22 0.698 -0.633 -7.237 170 HD11 LEU 22 HD11 LEU 22 1.395 1.213 -5.743 171 HD12 LEU 22 HD12 LEU 22 2.824 1.437 -6.756 172 HD13 LEU 22 HD13 LEU 22 2.578 -0.083 -5.895 173 HD21 LEU 22 HD21 LEU 22 1.023 2.069 -8.551 174 HD22 LEU 22 HD22 LEU 22 -0.253 1.583 -7.431 175 HD23 LEU 22 HD23 LEU 22 -0.139 0.823 -9.016 176 H GLU 23 HN GLU 23 2.796 0.313 -11.882 177 HA GLU 23 HA GLU 23 4.279 -1.995 -12.785 178 HB2 GLU 23 HB3 GLU 23 4.940 -0.597 -14.688 179 HB3 GLU 23 HB2 GLU 23 3.208 -0.464 -14.407 180 HG2 GLU 23 HG3 GLU 23 3.441 1.666 -13.451 181 HG3 GLU 23 HG2 GLU 23 5.205 1.543 -13.447 182 H ALA 24 HN ALA 24 6.694 -1.167 -13.556 183 HA ALA 24 HA ALA 24 8.233 -1.267 -11.274 184 HB1 ALA 24 HB1 ALA 24 9.098 -0.131 -13.928 185 HB2 ALA 24 HB2 ALA 24 9.031 -1.847 -13.526 186 HB3 ALA 24 HB3 ALA 24 10.149 -0.784 -12.672 187 H VAL 25 HN VAL 25 7.586 1.651 -13.218 188 HA VAL 25 HA VAL 25 9.032 3.332 -11.450 189 HB VAL 25 HB VAL 25 8.759 4.004 -13.760 190 HG11 VAL 25 HG11 VAL 25 6.632 4.768 -14.638 191 HG12 VAL 25 HG12 VAL 25 5.868 4.230 -13.122 192 HG13 VAL 25 HG13 VAL 25 6.651 3.051 -14.189 193 HG21 VAL 25 HG21 VAL 25 7.315 5.901 -11.937 194 HG22 VAL 25 HG22 VAL 25 8.028 6.334 -13.492 195 HG23 VAL 25 HG23 VAL 25 9.067 5.820 -12.151 196 H GLU 26 HN GLU 26 5.750 2.297 -11.491 197 HA GLU 26 HA GLU 26 4.784 4.287 -9.697 198 HB2 GLU 26 HB3 GLU 26 3.732 1.554 -10.404 199 HB3 GLU 26 HB2 GLU 26 2.866 2.713 -9.394 200 HG2 GLU 26 HG3 GLU 26 3.786 3.261 -12.179 201 HG3 GLU 26 HG2 GLU 26 2.160 2.675 -11.798 202 H LEU 27 HN LEU 27 5.960 0.995 -9.337 203 HA LEU 27 HA LEU 27 5.838 0.926 -6.515 204 HB2 LEU 27 HB2 LEU 27 7.620 -0.562 -8.445 205 HB3 LEU 27 HB1 LEU 27 7.532 -0.908 -6.733 206 HG LEU 27 HG LEU 27 5.179 -1.167 -8.615 207 HD11 LEU 27 HD11 LEU 27 7.052 -3.280 -7.556 208 HD12 LEU 27 HD12 LEU 27 6.953 -2.730 -9.230 209 HD13 LEU 27 HD13 LEU 27 5.588 -3.569 -8.495 210 HD21 LEU 27 HD21 LEU 27 4.215 -2.465 -6.779 211 HD22 LEU 27 HD22 LEU 27 4.588 -0.821 -6.265 212 HD23 LEU 27 HD23 LEU 27 5.646 -2.152 -5.797 213 H LYS 28 HN LYS 28 8.203 1.981 -8.812 214 HA LYS 28 HA LYS 28 10.466 2.478 -7.297 215 HB2 LYS 28 HB2 LYS 28 10.098 2.754 -9.787 216 HB3 LYS 28 HB1 LYS 28 9.374 4.311 -9.428 217 HG2 LYS 28 HG2 LYS 28 11.529 4.851 -10.024 218 HG3 LYS 28 HG1 LYS 28 11.631 4.788 -8.258 219 HD2 LYS 28 HD2 LYS 28 12.383 2.432 -8.448 220 HD3 LYS 28 HD1 LYS 28 12.334 2.650 -10.203 221 HE2 LYS 28 HE2 LYS 28 14.016 4.401 -10.081 222 HE3 LYS 28 HE1 LYS 28 14.042 4.282 -8.324 223 HZ1 LYS 28 HZ1 LYS 28 15.878 3.151 -9.442 224 HZ2 LYS 28 HZ2 LYS 28 14.815 2.059 -10.144 225 HZ3 LYS 28 HZ3 LYS 28 15.007 2.109 -8.460 226 H LYS 29 HN LYS 29 7.738 4.617 -7.934 227 HA LYS 29 HA LYS 29 8.600 6.861 -6.436 228 HB2 LYS 29 HB2 LYS 29 5.803 5.915 -6.992 229 HB3 LYS 29 HB1 LYS 29 6.251 7.520 -6.466 230 HG2 LYS 29 HG2 LYS 29 7.321 7.974 -8.585 231 HG3 LYS 29 HG1 LYS 29 7.038 6.307 -9.104 232 HD2 LYS 29 HD2 LYS 29 4.640 6.625 -8.912 233 HD3 LYS 29 HD1 LYS 29 4.895 8.270 -8.339 234 HE2 LYS 29 HE2 LYS 29 5.806 8.905 -10.470 235 HE3 LYS 29 HE1 LYS 29 5.711 7.236 -11.038 236 HZ1 LYS 29 HZ1 LYS 29 3.388 7.264 -10.876 237 HZ2 LYS 29 HZ2 LYS 29 3.815 8.603 -11.795 238 HZ3 LYS 29 HZ3 LYS 29 3.333 8.794 -10.167 239 H PHE 30 HN PHE 30 6.325 4.305 -5.799 240 HA PHE 30 HA PHE 30 5.478 4.840 -3.258 241 HB2 PHE 30 HB2 PHE 30 4.291 3.249 -4.454 242 HB3 PHE 30 HB1 PHE 30 5.736 2.406 -4.960 243 HD1 PHE 30 HD1 PHE 30 3.891 3.160 -1.804 244 HD2 PHE 30 HD2 PHE 30 6.052 0.348 -4.119 245 HE1 PHE 30 HE1 PHE 30 3.479 1.431 -0.101 246 HE2 PHE 30 HE2 PHE 30 5.633 -1.383 -2.431 247 HZ PHE 30 HZ PHE 30 4.336 -0.837 -0.419 248 H LYS 31 HN LYS 31 8.182 2.749 -4.172 249 HA LYS 31 HA LYS 31 8.820 2.223 -1.424 250 HB2 LYS 31 HB2 LYS 31 10.609 0.843 -2.265 251 HB3 LYS 31 HB1 LYS 31 9.136 0.538 -3.173 252 HG2 LYS 31 HG2 LYS 31 10.049 2.078 -4.931 253 HG3 LYS 31 HG1 LYS 31 11.585 1.996 -4.053 254 HD2 LYS 31 HD2 LYS 31 11.441 -0.493 -4.201 255 HD3 LYS 31 HD1 LYS 31 10.055 -0.292 -5.276 256 HE2 LYS 31 HE2 LYS 31 12.127 -0.654 -6.513 257 HE3 LYS 31 HE1 LYS 31 11.468 0.942 -6.857 258 HZ1 LYS 31 HZ1 LYS 31 13.584 0.365 -4.873 259 HZ2 LYS 31 HZ2 LYS 31 13.020 1.889 -5.294 260 HZ3 LYS 31 HZ3 LYS 31 13.904 1.005 -6.395 261 H LEU 32 HN LEU 32 9.920 4.674 -3.633 262 HA LEU 32 HA LEU 32 12.087 5.180 -1.828 263 HB2 LEU 32 HB2 LEU 32 12.694 7.072 -3.182 264 HB3 LEU 32 HB1 LEU 32 12.390 5.707 -4.214 265 HG LEU 32 HG LEU 32 10.070 6.855 -4.630 266 HD11 LEU 32 HD11 LEU 32 11.673 9.208 -3.654 267 HD12 LEU 32 HD12 LEU 32 10.211 8.555 -2.913 268 HD13 LEU 32 HD13 LEU 32 10.137 9.288 -4.516 269 HD21 LEU 32 HD21 LEU 32 11.784 6.549 -6.309 270 HD22 LEU 32 HD22 LEU 32 12.660 7.943 -5.685 271 HD23 LEU 32 HD23 LEU 32 11.081 8.166 -6.450 272 H TYR 33 HN TYR 33 8.873 6.367 -2.390 273 HA TYR 33 HA TYR 33 8.936 8.668 -0.842 274 HB2 TYR 33 HB2 TYR 33 7.047 8.111 -2.314 275 HB3 TYR 33 HB1 TYR 33 6.607 6.776 -1.253 276 HD1 TYR 33 HD1 TYR 33 5.559 7.195 0.919 277 HD2 TYR 33 HD2 TYR 33 6.633 10.394 -1.658 278 HE1 TYR 33 HE1 TYR 33 4.234 8.711 2.290 279 HE2 TYR 33 HE2 TYR 33 5.293 11.948 -0.278 280 HH TYR 33 HH TYR 33 4.296 11.163 2.774 281 H LEU 34 HN LEU 34 8.062 5.396 0.146 282 HA LEU 34 HA LEU 34 8.043 6.350 2.879 283 HB2 LEU 34 HB2 LEU 34 7.189 4.043 3.424 284 HB3 LEU 34 HB1 LEU 34 6.151 5.070 2.469 285 HG LEU 34 HG LEU 34 6.949 3.770 0.427 286 HD11 LEU 34 HD11 LEU 34 7.804 1.527 0.777 287 HD12 LEU 34 HD12 LEU 34 7.949 1.836 2.505 288 HD13 LEU 34 HD13 LEU 34 8.945 2.738 1.363 289 HD21 LEU 34 HD21 LEU 34 4.776 3.485 1.458 290 HD22 LEU 34 HD22 LEU 34 5.463 2.269 2.549 291 HD23 LEU 34 HD23 LEU 34 5.413 1.975 0.814 292 H GLY 35 HN GLY 35 10.101 4.557 0.812 293 HA2 GLY 35 HA3 GLY 35 11.329 3.182 2.952 294 HA3 GLY 35 HA2 GLY 35 11.891 3.179 1.279 295 H THR 36 HN THR 36 12.083 6.011 1.062 296 HA THR 36 HA THR 36 14.530 6.397 2.678 297 HB THR 36 HB THR 36 15.295 8.000 0.968 298 HG1 THR 36 HG1 THR 36 12.688 7.589 -0.107 299 HG21 THR 36 HG21 THR 36 15.475 6.515 -0.985 300 HG22 THR 36 HG22 THR 36 14.217 5.489 -0.316 301 HG23 THR 36 HG23 THR 36 15.766 5.634 0.520 302 H ALA 37 HN ALA 37 11.692 6.919 3.390 303 HA ALA 37 HA ALA 37 11.183 9.709 3.344 304 HB1 ALA 37 HB1 ALA 37 9.317 9.191 4.770 305 HB2 ALA 37 HB2 ALA 37 9.889 7.525 4.914 306 HB3 ALA 37 HB3 ALA 37 9.380 8.165 3.336 307 H THR 38 HN THR 38 11.947 11.206 4.672 308 HA THR 38 HA THR 38 12.911 10.402 7.257 309 HB THR 38 HB THR 38 13.444 12.892 7.431 310 HG1 THR 38 HG1 THR 38 13.049 14.129 5.794 311 HG21 THR 38 HG21 THR 38 15.167 11.220 6.967 312 HG22 THR 38 HG22 THR 38 15.470 12.679 6.027 313 HG23 THR 38 HG23 THR 38 14.763 11.263 5.250 314 H GLU 39 HN GLU 39 10.082 11.464 5.813 315 HA GLU 39 HA GLU 39 8.841 12.754 8.066 316 HB2 GLU 39 HB3 GLU 39 6.748 12.534 6.791 317 HB3 GLU 39 HB2 GLU 39 8.024 13.151 5.760 318 HG2 GLU 39 HG3 GLU 39 8.335 10.874 4.860 319 HG3 GLU 39 HG2 GLU 39 6.973 10.311 5.815 320 H LEU 40 HN LEU 40 9.692 9.653 7.330 321 HA LEU 40 HA LEU 40 7.637 8.352 8.968 322 HB2 LEU 40 HB2 LEU 40 8.309 7.722 6.595 323 HB3 LEU 40 HB1 LEU 40 9.777 7.099 7.293 324 HG LEU 40 HG LEU 40 8.375 5.643 8.755 325 HD11 LEU 40 HD11 LEU 40 6.249 6.765 8.582 326 HD12 LEU 40 HD12 LEU 40 6.092 5.113 7.988 327 HD13 LEU 40 HD13 LEU 40 6.195 6.453 6.847 328 HD21 LEU 40 HD21 LEU 40 8.001 3.953 6.994 329 HD22 LEU 40 HD22 LEU 40 9.567 4.745 6.858 330 HD23 LEU 40 HD23 LEU 40 8.254 5.203 5.778 331 H GLY 41 HN GLY 41 10.403 9.836 9.301 332 HA2 GLY 41 HA3 GLY 41 11.554 9.977 11.370 333 HA3 GLY 41 HA2 GLY 41 11.225 8.266 11.632 334 H GLU 42 HN GLU 42 12.427 6.801 10.696 335 HA GLU 42 HA GLU 42 14.976 7.745 9.663 336 HB2 GLU 42 HB3 GLU 42 15.489 5.130 10.283 337 HB3 GLU 42 HB2 GLU 42 15.835 6.504 11.312 338 HG2 GLU 42 HG3 GLU 42 14.743 4.740 12.570 339 HG3 GLU 42 HG2 GLU 42 13.775 6.216 12.443 340 H GLY 43 HN GLY 43 12.414 5.471 9.172 341 HA2 GLY 43 HA3 GLY 43 11.735 4.873 6.936 342 HA3 GLY 43 HA2 GLY 43 13.434 4.966 6.458 343 H LYS 44 HN LYS 44 11.025 2.895 7.280 344 HA LYS 44 HA LYS 44 12.571 1.018 8.819 345 HB2 LYS 44 HB2 LYS 44 9.774 0.940 7.716 346 HB3 LYS 44 HB1 LYS 44 10.514 -0.474 8.435 347 HG2 LYS 44 HG2 LYS 44 9.092 0.626 10.041 348 HG3 LYS 44 HG1 LYS 44 10.773 0.756 10.550 349 HD2 LYS 44 HD2 LYS 44 10.818 3.071 9.713 350 HD3 LYS 44 HD1 LYS 44 9.126 2.919 9.229 351 HE2 LYS 44 HE2 LYS 44 8.474 2.525 11.531 352 HE3 LYS 44 HE1 LYS 44 10.162 2.583 12.037 353 HZ1 LYS 44 HZ1 LYS 44 9.033 4.676 12.481 354 HZ2 LYS 44 HZ2 LYS 44 8.642 4.877 10.872 355 HZ3 LYS 44 HZ3 LYS 44 10.259 4.890 11.349 356 H ILE 45 HN ILE 45 12.617 1.745 5.692 357 HA ILE 45 HA ILE 45 12.898 -0.995 4.745 358 HB ILE 45 HB ILE 45 12.851 1.632 3.234 359 HG12 ILE 45 HG12 ILE 45 10.658 0.984 4.129 360 HG13 ILE 45 HG11 ILE 45 10.678 0.883 2.373 361 HG21 ILE 45 HG21 ILE 45 12.781 0.298 1.169 362 HG22 ILE 45 HG22 ILE 45 13.017 -1.168 2.122 363 HG23 ILE 45 HG23 ILE 45 14.282 0.047 2.064 364 HD11 ILE 45 HD11 ILE 45 10.884 -1.425 4.301 365 HD12 ILE 45 HD12 ILE 45 10.994 -1.529 2.542 366 HD13 ILE 45 HD13 ILE 45 9.491 -0.995 3.297 367 HA PRO 46 HA PRO 46 17.310 -0.671 5.266 368 HB2 PRO 46 HB2 PRO 46 17.884 -2.546 3.246 369 HB3 PRO 46 HB1 PRO 46 17.736 -2.871 4.975 370 HG2 PRO 46 HG2 PRO 46 15.794 -3.287 2.787 371 HG3 PRO 46 HG1 PRO 46 15.983 -4.152 4.335 372 HD2 PRO 46 HD2 PRO 46 13.983 -2.402 3.787 373 HD3 PRO 46 HD1 PRO 46 14.601 -2.680 5.424 374 H TRP 47 HN TRP 47 19.241 -0.610 3.672 375 HA TRP 47 HA TRP 47 18.780 1.863 2.347 376 HB2 TRP 47 HB2 TRP 47 21.340 0.392 2.993 377 HB3 TRP 47 HB1 TRP 47 21.234 2.038 2.377 378 HD1 TRP 47 HD1 TRP 47 20.781 3.954 4.113 379 HE1 TRP 47 HE1 TRP 47 20.452 4.045 6.644 380 HE3 TRP 47 HE3 TRP 47 20.324 -1.064 5.088 381 HZ2 TRP 47 HZ2 TRP 47 20.046 2.257 8.785 382 HZ3 TRP 47 HZ3 TRP 47 19.952 -1.783 7.387 383 HH2 TRP 47 HH2 TRP 47 19.821 -0.158 9.215 384 H GLY 48 HN GLY 48 17.657 1.090 0.630 385 HA2 GLY 48 HA3 GLY 48 17.643 1.073 -1.722 386 HA3 GLY 48 HA2 GLY 48 19.364 0.729 -1.692 387 H SER 49 HN SER 49 17.329 -1.333 0.222 388 HA SER 49 HA SER 49 18.106 -3.553 -1.454 389 HB2 SER 49 HB2 SER 49 16.682 -3.458 1.174 390 HB3 SER 49 HB1 SER 49 17.512 -4.856 0.482 391 HG SER 49 HG SER 49 19.429 -3.766 0.635 392 H MET 50 HN MET 50 15.955 -1.647 -2.217 393 HA MET 50 HA MET 50 13.950 -3.687 -2.731 394 HB2 MET 50 HB2 MET 50 12.162 -1.832 -2.606 395 HB3 MET 50 HB1 MET 50 12.758 -2.521 -1.113 396 HG2 MET 50 HG2 MET 50 12.431 -0.101 -1.012 397 HG3 MET 50 HG1 MET 50 14.080 -0.574 -0.667 398 HE1 MET 50 HE1 MET 50 13.173 2.426 -1.293 399 HE2 MET 50 HE2 MET 50 14.478 2.944 -2.362 400 HE3 MET 50 HE3 MET 50 14.839 1.954 -0.948 401 H GLU 51 HN GLU 51 16.183 -2.194 -4.140 402 HA GLU 51 HA GLU 51 14.924 -0.732 -6.250 403 HB2 GLU 51 HB3 GLU 51 17.645 -1.699 -5.675 404 HB3 GLU 51 HB2 GLU 51 17.290 -1.213 -7.334 405 HG2 GLU 51 HG3 GLU 51 16.805 0.545 -4.932 406 HG3 GLU 51 HG2 GLU 51 18.286 0.588 -5.891 407 H LYS 52 HN LYS 52 16.044 -3.997 -5.903 408 HA LYS 52 HA LYS 52 15.144 -4.639 -8.616 409 HB2 LYS 52 HB2 LYS 52 16.866 -6.171 -6.661 410 HB3 LYS 52 HB1 LYS 52 16.423 -6.756 -8.257 411 HG2 LYS 52 HG2 LYS 52 17.590 -4.844 -9.272 412 HG3 LYS 52 HG1 LYS 52 18.048 -4.285 -7.665 413 HD2 LYS 52 HD2 LYS 52 18.826 -6.944 -8.860 414 HD3 LYS 52 HD1 LYS 52 19.850 -5.513 -8.838 415 HE2 LYS 52 HE2 LYS 52 19.763 -5.526 -6.364 416 HE3 LYS 52 HE1 LYS 52 18.799 -7.003 -6.421 417 HZ1 LYS 52 HZ1 LYS 52 20.681 -8.104 -7.525 418 HZ2 LYS 52 HZ2 LYS 52 21.111 -7.524 -6.023 419 HZ3 LYS 52 HZ3 LYS 52 21.590 -6.697 -7.402 420 H ALA 53 HN ALA 53 13.458 -4.154 -6.256 421 HA ALA 53 HA ALA 53 12.278 -6.779 -5.777 422 HB1 ALA 53 HB1 ALA 53 12.824 -5.469 -3.812 423 HB2 ALA 53 HB2 ALA 53 11.065 -5.609 -3.953 424 HB3 ALA 53 HB3 ALA 53 11.888 -4.118 -4.424 425 H GLY 54 HN GLY 54 10.115 -7.182 -6.290 426 HA2 GLY 54 HA3 GLY 54 8.837 -5.221 -8.050 427 HA3 GLY 54 HA2 GLY 54 8.737 -6.976 -8.240 428 HA PRO 55 HA PRO 55 5.028 -5.441 -5.830 429 HB2 PRO 55 HB2 PRO 55 3.338 -7.365 -6.886 430 HB3 PRO 55 HB1 PRO 55 3.527 -5.730 -7.526 431 HG2 PRO 55 HG2 PRO 55 4.745 -8.285 -8.459 432 HG3 PRO 55 HG1 PRO 55 4.148 -6.919 -9.413 433 HD2 PRO 55 HD2 PRO 55 6.776 -7.329 -8.999 434 HD3 PRO 55 HD1 PRO 55 6.091 -5.694 -9.107 435 H LEU 56 HN LEU 56 6.126 -8.701 -6.491 436 HA LEU 56 HA LEU 56 4.879 -9.981 -4.273 437 HB2 LEU 56 HB2 LEU 56 5.633 -11.151 -6.306 438 HB3 LEU 56 HB1 LEU 56 7.288 -10.761 -5.903 439 HG LEU 56 HG LEU 56 7.058 -12.146 -3.845 440 HD11 LEU 56 HD11 LEU 56 5.204 -13.731 -3.713 441 HD12 LEU 56 HD12 LEU 56 4.434 -12.950 -5.091 442 HD13 LEU 56 HD13 LEU 56 4.656 -12.061 -3.579 443 HD21 LEU 56 HD21 LEU 56 6.529 -13.533 -6.466 444 HD22 LEU 56 HD22 LEU 56 7.227 -14.273 -5.021 445 HD23 LEU 56 HD23 LEU 56 8.098 -12.998 -5.870 446 H GLU 57 HN GLU 57 8.244 -8.905 -4.855 447 HA GLU 57 HA GLU 57 9.122 -9.600 -2.289 448 HB2 GLU 57 HB3 GLU 57 10.308 -7.565 -4.178 449 HB3 GLU 57 HB2 GLU 57 11.119 -8.243 -2.777 450 HG2 GLU 57 HG3 GLU 57 12.041 -9.486 -4.449 451 HG3 GLU 57 HG2 GLU 57 10.680 -10.513 -4.023 452 H MET 58 HN MET 58 7.872 -6.593 -3.625 453 HA MET 58 HA MET 58 8.413 -5.019 -1.361 454 HB2 MET 58 HB2 MET 58 6.437 -4.694 -3.581 455 HB3 MET 58 HB1 MET 58 6.559 -3.484 -2.317 456 HG2 MET 58 HG2 MET 58 8.798 -4.446 -4.079 457 HG3 MET 58 HG1 MET 58 7.928 -2.939 -4.393 458 HE1 MET 58 HE1 MET 58 7.958 -1.006 -2.372 459 HE2 MET 58 HE2 MET 58 9.115 -1.040 -1.041 460 HE3 MET 58 HE3 MET 58 7.777 -2.186 -1.070 461 H ALA 59 HN ALA 59 5.497 -6.837 -2.253 462 HA ALA 59 HA ALA 59 3.930 -6.003 -0.113 463 HB1 ALA 59 HB1 ALA 59 2.650 -8.067 -0.452 464 HB2 ALA 59 HB2 ALA 59 3.965 -8.727 -1.419 465 HB3 ALA 59 HB3 ALA 59 3.064 -7.326 -1.998 466 H GLN 60 HN GLN 60 6.338 -8.521 -0.330 467 HA GLN 60 HA GLN 60 5.870 -9.408 2.364 468 HB2 GLN 60 HB2 GLN 60 8.052 -10.183 0.437 469 HB3 GLN 60 HB1 GLN 60 7.615 -11.028 1.924 470 HG2 GLN 60 HG2 GLN 60 5.417 -11.518 1.011 471 HG3 GLN 60 HG1 GLN 60 5.820 -10.622 -0.434 472 HE21 GLN 60 HE21 GLN 60 7.227 -11.476 -1.901 473 HE22 GLN 60 HE22 GLN 60 7.698 -13.141 -1.905 474 H LEU 61 HN LEU 61 7.473 -6.832 1.069 475 HA LEU 61 HA LEU 61 9.725 -6.783 2.894 476 HB2 LEU 61 HB2 LEU 61 9.606 -5.804 0.457 477 HB3 LEU 61 HB1 LEU 61 8.711 -4.504 1.225 478 HG LEU 61 HG LEU 61 10.695 -4.102 2.683 479 HD11 LEU 61 HD11 LEU 61 12.856 -4.962 1.897 480 HD12 LEU 61 HD12 LEU 61 12.001 -5.923 0.690 481 HD13 LEU 61 HD13 LEU 61 11.791 -6.284 2.407 482 HD21 LEU 61 HD21 LEU 61 11.951 -2.920 0.940 483 HD22 LEU 61 HD22 LEU 61 10.211 -2.695 0.761 484 HD23 LEU 61 HD23 LEU 61 11.070 -3.822 -0.291 485 H LEU 62 HN LEU 62 6.905 -4.698 2.116 486 HA LEU 62 HA LEU 62 7.051 -3.140 4.408 487 HB2 LEU 62 HB2 LEU 62 4.630 -3.756 2.704 488 HB3 LEU 62 HB1 LEU 62 4.629 -2.590 3.997 489 HG LEU 62 HG LEU 62 4.738 -1.345 2.044 490 HD11 LEU 62 HD11 LEU 62 7.542 -1.547 2.991 491 HD12 LEU 62 HD12 LEU 62 6.266 -0.512 3.637 492 HD13 LEU 62 HD13 LEU 62 6.877 -0.250 2.001 493 HD21 LEU 62 HD21 LEU 62 6.267 -1.698 0.220 494 HD22 LEU 62 HD22 LEU 62 5.238 -3.111 0.508 495 HD23 LEU 62 HD23 LEU 62 6.915 -3.120 1.042 496 H ILE 63 HN ILE 63 5.396 -6.207 3.810 497 HA ILE 63 HA ILE 63 3.818 -6.166 6.135 498 HB ILE 63 HB ILE 63 3.767 -7.641 3.923 499 HG12 ILE 63 HG12 ILE 63 2.052 -7.538 5.667 500 HG13 ILE 63 HG11 ILE 63 2.147 -9.111 4.904 501 HG21 ILE 63 HG21 ILE 63 5.836 -8.836 4.299 502 HG22 ILE 63 HG22 ILE 63 4.470 -9.951 4.234 503 HG23 ILE 63 HG23 ILE 63 5.184 -9.522 5.789 504 HD11 ILE 63 HD11 ILE 63 3.214 -8.351 7.612 505 HD12 ILE 63 HD12 ILE 63 3.391 -9.947 6.872 506 HD13 ILE 63 HD13 ILE 63 1.788 -9.334 7.293 507 H THR 64 HN THR 64 7.126 -7.059 5.610 508 HA THR 64 HA THR 64 7.317 -8.483 8.106 509 HB THR 64 HB THR 64 9.486 -7.734 6.125 510 HG1 THR 64 HG1 THR 64 8.485 -9.212 4.995 511 HG21 THR 64 HG21 THR 64 10.350 -8.289 8.381 512 HG22 THR 64 HG22 THR 64 10.771 -9.538 7.208 513 HG23 THR 64 HG23 THR 64 9.446 -9.802 8.342 514 H HIS 65 HN HIS 65 8.412 -5.409 6.758 515 HA HIS 65 HA HIS 65 9.788 -4.689 9.166 516 HB2 HIS 65 HB2 HIS 65 9.111 -3.026 6.734 517 HB3 HIS 65 HB1 HIS 65 10.077 -2.457 8.089 518 HD1 HIS 65 HD1 HIS 65 12.487 -3.584 8.360 519 HD2 HIS 65 HD2 HIS 65 10.421 -4.582 4.902 520 HE1 HIS 65 HE1 HIS 65 14.158 -4.671 6.836 521 H PHE 66 HN PHE 66 6.896 -3.357 7.590 522 HA PHE 66 HA PHE 66 6.164 -1.855 9.923 523 HB2 PHE 66 HB2 PHE 66 4.705 -2.395 7.348 524 HB3 PHE 66 HB1 PHE 66 4.204 -1.229 8.570 525 HD1 PHE 66 HD2 PHE 66 6.626 -2.039 6.007 526 HD2 PHE 66 HD1 PHE 66 5.410 0.822 8.873 527 HE1 PHE 66 HE2 PHE 66 8.140 -0.427 4.988 528 HE2 PHE 66 HE1 PHE 66 6.935 2.471 7.873 529 HZ PHE 66 HZ PHE 66 8.317 1.815 5.909 530 H GLY 67 HN GLY 67 4.361 -4.333 8.143 531 HA2 GLY 67 HA3 GLY 67 3.812 -6.189 9.916 532 HA3 GLY 67 HA2 GLY 67 2.824 -4.876 10.553 533 HA PRO 68 HA PRO 68 0.704 -7.435 7.155 534 HB2 PRO 68 HB2 PRO 68 -1.647 -7.689 8.617 535 HB3 PRO 68 HB1 PRO 68 -0.385 -8.914 8.471 536 HG2 PRO 68 HG2 PRO 68 -0.892 -6.971 10.672 537 HG3 PRO 68 HG1 PRO 68 -0.299 -8.641 10.746 538 HD2 PRO 68 HD2 PRO 68 1.338 -6.525 11.061 539 HD3 PRO 68 HD1 PRO 68 1.876 -8.018 10.281 540 H GLU 69 HN GLU 69 -1.221 -5.354 9.268 541 HA GLU 69 HA GLU 69 -2.459 -4.278 6.878 542 HB2 GLU 69 HB3 GLU 69 -4.044 -3.155 8.387 543 HB3 GLU 69 HB2 GLU 69 -3.992 -4.907 8.590 544 HG2 GLU 69 HG3 GLU 69 -2.461 -4.631 10.362 545 HG3 GLU 69 HG2 GLU 69 -2.614 -2.875 10.166 546 H GLU 70 HN GLU 70 -0.080 -3.405 9.128 547 HA GLU 70 HA GLU 70 -0.121 -0.596 8.729 548 HB2 GLU 70 HB3 GLU 70 1.157 -1.915 10.517 549 HB3 GLU 70 HB2 GLU 70 2.330 -2.285 9.261 550 HG2 GLU 70 HG3 GLU 70 3.118 -0.430 10.575 551 HG3 GLU 70 HG2 GLU 70 2.705 0.139 8.956 552 H ALA 71 HN ALA 71 1.574 -3.284 7.118 553 HA ALA 71 HA ALA 71 2.884 -1.942 5.075 554 HB1 ALA 71 HB1 ALA 71 2.678 -4.026 3.809 555 HB2 ALA 71 HB2 ALA 71 1.468 -4.607 4.955 556 HB3 ALA 71 HB3 ALA 71 3.120 -4.333 5.483 557 H TRP 72 HN TRP 72 -0.447 -3.118 5.203 558 HA TRP 72 HA TRP 72 -1.162 -2.359 2.612 559 HB2 TRP 72 HB2 TRP 72 -2.574 -3.925 3.768 560 HB3 TRP 72 HB1 TRP 72 -2.857 -2.793 5.083 561 HD1 TRP 72 HD1 TRP 72 -5.370 -2.291 4.964 562 HE1 TRP 72 HE1 TRP 72 -6.998 -1.463 3.141 563 HE3 TRP 72 HE3 TRP 72 -2.243 -2.428 0.946 564 HZ2 TRP 72 HZ2 TRP 72 -6.941 -0.909 0.401 565 HZ3 TRP 72 HZ3 TRP 72 -3.091 -1.746 -1.242 566 HH2 TRP 72 HH2 TRP 72 -5.404 -0.993 -1.516 567 H ARG 73 HN ARG 73 -1.442 -0.643 5.648 568 HA ARG 73 HA ARG 73 -2.642 1.650 4.686 569 HB2 ARG 73 HB2 ARG 73 -2.462 1.288 7.040 570 HB3 ARG 73 HB1 ARG 73 -0.710 1.236 6.954 571 HG2 ARG 73 HG2 ARG 73 -0.639 3.597 6.386 572 HG3 ARG 73 HG1 ARG 73 -2.404 3.664 6.428 573 HD2 ARG 73 HD2 ARG 73 -0.638 2.907 8.742 574 HD3 ARG 73 HD1 ARG 73 -1.372 4.493 8.499 575 HE ARG 73 HE ARG 73 -3.539 3.273 8.528 576 HH11 ARG 73 HH11 ARG 73 -0.747 1.926 10.279 577 HH12 ARG 73 HH12 ARG 73 -1.695 1.272 11.526 578 HH21 ARG 73 HH21 ARG 73 -4.813 2.337 10.204 579 HH22 ARG 73 HH22 ARG 73 -4.064 1.461 11.468 580 H LEU 74 HN LEU 74 0.786 0.872 5.104 581 HA LEU 74 HA LEU 74 1.875 3.220 4.108 582 HB2 LEU 74 HB2 LEU 74 2.859 0.475 4.559 583 HB3 LEU 74 HB1 LEU 74 3.780 1.429 3.425 584 HG LEU 74 HG LEU 74 4.704 1.452 5.731 585 HD11 LEU 74 HD11 LEU 74 3.778 4.130 4.699 586 HD12 LEU 74 HD12 LEU 74 5.281 3.283 4.299 587 HD13 LEU 74 HD13 LEU 74 5.022 3.880 5.921 588 HD21 LEU 74 HD21 LEU 74 2.188 2.969 6.428 589 HD22 LEU 74 HD22 LEU 74 3.591 2.757 7.478 590 HD23 LEU 74 HD23 LEU 74 2.624 1.358 7.002 591 H ALA 75 HN ALA 75 0.597 0.481 2.360 592 HA ALA 75 HA ALA 75 1.643 1.524 -0.120 593 HB1 ALA 75 HB1 ALA 75 -0.310 -0.738 0.310 594 HB2 ALA 75 HB2 ALA 75 1.444 -0.888 0.014 595 HB3 ALA 75 HB3 ALA 75 0.390 -0.245 -1.226 596 H LEU 76 HN LEU 76 -1.663 1.268 1.234 597 HA LEU 76 HA LEU 76 -2.801 2.545 -1.024 598 HB2 LEU 76 HB2 LEU 76 -4.873 2.605 0.118 599 HB3 LEU 76 HB1 LEU 76 -4.089 1.143 0.655 600 HG LEU 76 HG LEU 76 -3.381 2.687 2.700 601 HD11 LEU 76 HD11 LEU 76 -4.336 4.735 1.844 602 HD12 LEU 76 HD12 LEU 76 -5.191 4.245 3.310 603 HD13 LEU 76 HD13 LEU 76 -5.920 3.979 1.721 604 HD21 LEU 76 HD21 LEU 76 -5.357 1.919 3.916 605 HD22 LEU 76 HD22 LEU 76 -4.686 0.647 2.891 606 HD23 LEU 76 HD23 LEU 76 -6.134 1.515 2.386 607 H SER 77 HN SER 77 -1.703 3.858 2.060 608 HA SER 77 HA SER 77 -2.549 6.488 1.479 609 HB2 SER 77 HB2 SER 77 -0.842 5.206 3.553 610 HB3 SER 77 HB1 SER 77 -1.113 6.973 3.573 611 HG SER 77 HG SER 77 -3.328 6.472 3.733 612 H THR 78 HN THR 78 -0.024 4.708 0.220 613 HA THR 78 HA THR 78 1.453 7.163 -0.345 614 HB THR 78 HB THR 78 2.339 4.269 -0.670 615 HG1 THR 78 HG1 THR 78 2.824 4.498 1.300 616 HG21 THR 78 HG21 THR 78 3.907 6.836 -1.057 617 HG22 THR 78 HG22 THR 78 3.426 5.729 -2.343 618 HG23 THR 78 HG23 THR 78 4.581 5.208 -1.113 619 H PHE 79 HN PHE 79 -0.671 4.805 -1.690 620 HA PHE 79 HA PHE 79 -0.104 5.045 -4.388 621 HB2 PHE 79 HB2 PHE 79 -2.757 4.700 -2.989 622 HB3 PHE 79 HB1 PHE 79 -2.626 4.654 -4.750 623 HD1 PHE 79 HD2 PHE 79 0.188 3.053 -4.319 624 HD2 PHE 79 HD1 PHE 79 -3.848 2.575 -3.049 625 HE1 PHE 79 HE2 PHE 79 0.537 0.636 -4.080 626 HE2 PHE 79 HE1 PHE 79 -3.491 0.158 -2.816 627 HZ PHE 79 HZ PHE 79 -1.293 -0.810 -3.335 628 H GLU 80 HN GLU 80 -2.188 7.000 -2.299 629 HA GLU 80 HA GLU 80 -3.028 8.962 -4.129 630 HB2 GLU 80 HB3 GLU 80 -3.287 10.402 -2.048 631 HB3 GLU 80 HB2 GLU 80 -4.124 8.852 -2.019 632 HG2 GLU 80 HG3 GLU 80 -2.532 7.888 -0.644 633 HG3 GLU 80 HG2 GLU 80 -1.401 9.214 -0.914 634 H ARG 81 HN ARG 81 0.023 8.532 -2.550 635 HA ARG 81 HA ARG 81 0.863 11.297 -2.798 636 HB2 ARG 81 HB2 ARG 81 2.366 8.867 -1.844 637 HB3 ARG 81 HB1 ARG 81 2.925 10.530 -1.717 638 HG2 ARG 81 HG2 ARG 81 0.468 9.394 -0.375 639 HG3 ARG 81 HG1 ARG 81 2.029 9.698 0.377 640 HD2 ARG 81 HD2 ARG 81 1.846 12.020 0.064 641 HD3 ARG 81 HD1 ARG 81 0.428 11.841 -0.972 642 HE ARG 81 HE ARG 81 -0.836 11.200 0.952 643 HH11 ARG 81 HH11 ARG 81 2.395 12.365 1.823 644 HH12 ARG 81 HH12 ARG 81 1.885 13.128 3.244 645 HH21 ARG 81 HH21 ARG 81 -1.514 12.252 2.942 646 HH22 ARG 81 HH22 ARG 81 -0.350 13.103 3.873 647 H ILE 82 HN ILE 82 1.134 8.384 -4.590 648 HA ILE 82 HA ILE 82 3.362 9.475 -6.165 649 HB ILE 82 HB ILE 82 3.693 7.212 -7.025 650 HG12 ILE 82 HG12 ILE 82 1.321 6.432 -5.303 651 HG13 ILE 82 HG11 ILE 82 1.310 6.520 -7.058 652 HG21 ILE 82 HG21 ILE 82 3.335 7.257 -4.030 653 HG22 ILE 82 HG22 ILE 82 4.756 7.813 -4.909 654 HG23 ILE 82 HG23 ILE 82 4.326 6.101 -4.924 655 HD11 ILE 82 HD11 ILE 82 2.973 4.714 -7.143 656 HD12 ILE 82 HD12 ILE 82 1.496 4.226 -6.314 657 HD13 ILE 82 HD13 ILE 82 2.938 4.626 -5.380 658 H ASN 83 HN ASN 83 0.373 9.968 -6.181 659 HA ASN 83 HA ASN 83 -1.337 10.402 -7.529 660 HB2 ASN 83 HB3 ASN 83 0.359 11.763 -8.794 661 HB3 ASN 83 HB2 ASN 83 0.636 10.373 -9.837 662 HD21 ASN 83 HD21 ASN 83 -2.513 11.466 -8.574 663 HD22 ASN 83 HD22 ASN 83 -3.175 11.848 -10.103 664 H ARG 84 HN ARG 84 -1.538 8.161 -6.779 665 HA ARG 84 HA ARG 84 -2.556 6.588 -9.001 666 HB2 ARG 84 HB2 ARG 84 -0.438 5.562 -8.220 667 HB3 ARG 84 HB1 ARG 84 -1.011 5.604 -6.565 668 HG2 ARG 84 HG2 ARG 84 -1.066 3.372 -7.590 669 HG3 ARG 84 HG1 ARG 84 -2.651 3.917 -7.042 670 HD2 ARG 84 HD2 ARG 84 -2.833 2.859 -9.182 671 HD3 ARG 84 HD1 ARG 84 -3.206 4.581 -9.273 672 HE ARG 84 HE ARG 84 -0.539 4.449 -9.940 673 HH11 ARG 84 HH11 ARG 84 -3.381 2.823 -11.284 674 HH12 ARG 84 HH12 ARG 84 -2.727 2.746 -12.861 675 HH21 ARG 84 HH21 ARG 84 0.299 4.320 -11.986 676 HH22 ARG 84 HH22 ARG 84 -0.555 3.610 -13.304 677 H LYS 85 HN LYS 85 -3.999 8.378 -7.955 678 HA LYS 85 HA LYS 85 -5.124 7.982 -5.409 679 HB2 LYS 85 HB2 LYS 85 -5.044 10.127 -6.067 680 HB3 LYS 85 HB1 LYS 85 -5.540 9.826 -7.733 681 HG2 LYS 85 HG2 LYS 85 -7.855 9.375 -6.806 682 HG3 LYS 85 HG1 LYS 85 -7.243 9.912 -5.241 683 HD2 LYS 85 HD2 LYS 85 -6.730 12.086 -6.123 684 HD3 LYS 85 HD1 LYS 85 -7.191 11.571 -7.746 685 HE2 LYS 85 HE2 LYS 85 -9.055 11.651 -5.375 686 HE3 LYS 85 HE1 LYS 85 -8.946 12.907 -6.602 687 HZ1 LYS 85 HZ1 LYS 85 -10.762 11.432 -7.070 688 HZ2 LYS 85 HZ2 LYS 85 -9.797 10.073 -7.056 689 HZ3 LYS 85 HZ3 LYS 85 -9.600 11.236 -8.267 690 H ASP 86 HN ASP 86 -5.737 6.958 -8.633 691 HA ASP 86 HA ASP 86 -8.377 6.381 -8.533 692 HB2 ASP 86 HB2 ASP 86 -6.209 4.885 -10.014 693 HB3 ASP 86 HB1 ASP 86 -7.925 4.606 -10.259 694 H LEU 87 HN LEU 87 -5.645 4.276 -7.888 695 HA LEU 87 HA LEU 87 -7.123 1.953 -7.018 696 HB2 LEU 87 HB2 LEU 87 -4.707 2.244 -8.049 697 HB3 LEU 87 HB1 LEU 87 -4.277 2.560 -6.383 698 HG LEU 87 HG LEU 87 -5.092 0.382 -5.744 699 HD11 LEU 87 HD11 LEU 87 -5.447 0.033 -8.727 700 HD12 LEU 87 HD12 LEU 87 -6.727 -0.018 -7.514 701 HD13 LEU 87 HD13 LEU 87 -5.506 -1.287 -7.570 702 HD21 LEU 87 HD21 LEU 87 -3.037 0.432 -7.941 703 HD22 LEU 87 HD22 LEU 87 -3.221 -0.857 -6.749 704 HD23 LEU 87 HD23 LEU 87 -2.750 0.765 -6.236 705 H TRP 88 HN TRP 88 -5.677 4.737 -5.573 706 HA TRP 88 HA TRP 88 -5.579 3.972 -2.870 707 HB2 TRP 88 HB2 TRP 88 -4.393 5.872 -3.633 708 HB3 TRP 88 HB1 TRP 88 -5.824 6.536 -4.363 709 HD1 TRP 88 HD1 TRP 88 -4.596 5.780 -0.769 710 HE1 TRP 88 HE1 TRP 88 -5.563 7.589 0.775 711 HE3 TRP 88 HE3 TRP 88 -7.370 8.299 -4.162 712 HZ2 TRP 88 HZ2 TRP 88 -7.304 9.808 0.564 713 HZ3 TRP 88 HZ3 TRP 88 -8.667 10.267 -3.432 714 HH2 TRP 88 HH2 TRP 88 -8.624 10.996 -1.109 715 H GLU 89 HN GLU 89 -8.146 5.497 -4.794 716 HA GLU 89 HA GLU 89 -10.028 5.691 -2.693 717 HB2 GLU 89 HB3 GLU 89 -10.432 5.522 -5.684 718 HB3 GLU 89 HB2 GLU 89 -11.702 5.921 -4.532 719 HG2 GLU 89 HG3 GLU 89 -10.478 7.901 -3.844 720 HG3 GLU 89 HG2 GLU 89 -9.168 7.485 -4.945 721 H ARG 90 HN ARG 90 -9.003 3.131 -4.684 722 HA ARG 90 HA ARG 90 -11.176 1.303 -4.172 723 HB2 ARG 90 HB2 ARG 90 -8.427 1.035 -5.372 724 HB3 ARG 90 HB1 ARG 90 -9.311 -0.400 -4.896 725 HG2 ARG 90 HG2 ARG 90 -9.430 0.235 -7.312 726 HG3 ARG 90 HG1 ARG 90 -10.975 -0.037 -6.529 727 HD2 ARG 90 HD2 ARG 90 -11.134 2.448 -6.256 728 HD3 ARG 90 HD1 ARG 90 -9.676 2.582 -7.232 729 HE ARG 90 HE ARG 90 -11.804 1.070 -8.422 730 HH11 ARG 90 HH11 ARG 90 -10.242 4.220 -8.137 731 HH12 ARG 90 HH12 ARG 90 -11.049 4.970 -9.424 732 HH21 ARG 90 HH21 ARG 90 -12.976 2.050 -10.258 733 HH22 ARG 90 HH22 ARG 90 -12.653 3.654 -10.687 734 H GLY 91 HN GLY 91 -8.533 2.460 -2.452 735 HA2 GLY 91 HA3 GLY 91 -8.449 0.170 -0.670 736 HA3 GLY 91 HA2 GLY 91 -7.307 1.510 -0.686 737 H GLN 92 HN GLN 92 -8.632 3.758 -0.308 738 HA GLN 92 HA GLN 92 -10.226 3.090 2.026 739 HB2 GLN 92 HB2 GLN 92 -9.536 5.098 3.177 740 HB3 GLN 92 HB1 GLN 92 -8.163 4.084 2.786 741 HG2 GLN 92 HG2 GLN 92 -7.531 5.587 0.989 742 HG3 GLN 92 HG1 GLN 92 -8.975 6.561 1.279 743 HE21 GLN 92 HE21 GLN 92 -8.785 6.338 4.184 744 HE22 GLN 92 HE22 GLN 92 -7.458 7.331 4.647 745 H ARG 93 HN ARG 93 -12.057 3.676 2.235 746 HA ARG 93 HA ARG 93 -13.111 6.021 0.840 747 HB2 ARG 93 HB2 ARG 93 -15.312 4.867 0.501 748 HB3 ARG 93 HB1 ARG 93 -14.012 4.144 -0.420 749 HG2 ARG 93 HG2 ARG 93 -14.992 3.017 2.195 750 HG3 ARG 93 HG1 ARG 93 -15.686 2.568 0.640 751 HD2 ARG 93 HD2 ARG 93 -13.512 1.719 -0.091 752 HD3 ARG 93 HD1 ARG 93 -12.782 2.205 1.437 753 HE ARG 93 HE ARG 93 -15.052 0.447 1.616 754 HH11 ARG 93 HH11 ARG 93 -11.451 0.537 1.522 755 HH12 ARG 93 HH12 ARG 93 -11.301 -1.001 2.182 756 HH21 ARG 93 HH21 ARG 93 -14.770 -1.657 2.511 757 HH22 ARG 93 HH22 ARG 93 -13.204 -2.278 2.764 758 H GLU 94 HN GLU 94 -12.997 3.945 3.512 759 HA GLU 94 HA GLU 94 -13.367 4.056 5.613 760 HB2 GLU 94 HB3 GLU 94 -13.160 7.022 5.206 761 HB3 GLU 94 HB2 GLU 94 -13.070 6.212 6.764 762 HG2 GLU 94 HG3 GLU 94 -11.114 4.938 5.943 763 HG3 GLU 94 HG2 GLU 94 -11.179 5.875 4.451 764 H ASP 95 HN ASP 95 -15.230 7.002 5.121 765 HA ASP 95 HA ASP 95 -17.737 5.752 5.607 766 HB2 ASP 95 HB2 ASP 95 -16.907 5.379 7.817 767 HB3 ASP 95 HB1 ASP 95 -16.262 7.007 7.921 768 H LEU 96 HN LEU 96 -19.364 7.140 5.142 769 HA LEU 96 HA LEU 96 -20.545 8.856 4.603 770 HB2 LEU 96 HB2 LEU 96 -19.933 9.740 6.763 771 HB3 LEU 96 HB1 LEU 96 -18.529 10.525 6.059 772 HG LEU 96 HG LEU 96 -20.154 11.740 4.537 773 HD11 LEU 96 HD11 LEU 96 -22.440 12.025 5.363 774 HD12 LEU 96 HD12 LEU 96 -22.146 10.772 6.568 775 HD13 LEU 96 HD13 LEU 96 -22.093 10.376 4.849 776 HD21 LEU 96 HD21 LEU 96 -20.665 13.457 6.237 777 HD22 LEU 96 HD22 LEU 96 -19.005 12.876 6.344 778 HD23 LEU 96 HD23 LEU 96 -20.214 12.312 7.501 779 H VAL 97 HN VAL 97 -20.895 10.153 2.971 780 HA VAL 97 HA VAL 97 -18.561 10.930 1.400 781 HB VAL 97 HB VAL 97 -20.056 9.374 0.296 782 HG11 VAL 97 HG11 VAL 97 -22.208 9.947 1.179 783 HG12 VAL 97 HG12 VAL 97 -22.275 10.051 -0.581 784 HG13 VAL 97 HG13 VAL 97 -22.165 11.520 0.386 785 HG21 VAL 97 HG21 VAL 97 -18.724 10.800 -1.100 786 HG22 VAL 97 HG22 VAL 97 -19.939 12.074 -1.031 787 HG23 VAL 97 HG23 VAL 97 -20.292 10.567 -1.874 788 H ARG 98 HN ARG 98 -21.783 12.130 2.328 789 HA ARG 98 HA ARG 98 -20.713 14.801 2.538 790 HB2 ARG 98 HB2 ARG 98 -22.873 14.105 0.533 791 HB3 ARG 98 HB1 ARG 98 -22.700 15.732 1.168 792 HG2 ARG 98 HG2 ARG 98 -20.467 15.896 0.254 793 HG3 ARG 98 HG1 ARG 98 -20.529 14.220 -0.271 794 HD2 ARG 98 HD2 ARG 98 -20.883 15.759 -2.123 795 HD3 ARG 98 HD1 ARG 98 -22.292 14.759 -1.846 796 HE ARG 98 HE ARG 98 -23.309 16.709 -0.749 797 HH11 ARG 98 HH11 ARG 98 -20.537 17.315 -2.864 798 HH12 ARG 98 HH12 ARG 98 -20.994 18.835 -3.381 799 HH21 ARG 98 HH21 ARG 98 -24.066 18.840 -1.469 800 HH22 ARG 98 HH22 ARG 98 -23.129 19.743 -2.552 801 H ASP 99 HN ASP 99 -24.049 13.530 2.330 802 HA ASP 99 HA ASP 99 -24.350 14.137 5.180 803 HB2 ASP 99 HB2 ASP 99 -25.186 16.127 4.087 804 HB3 ASP 99 HB1 ASP 99 -26.149 15.169 2.973 805 H THR 100 HN THR 100 -25.196 12.487 6.177 806 HA THR 100 HA THR 100 -26.578 10.854 6.822 807 HB THR 100 HB THR 100 -28.154 11.376 4.291 808 HG1 THR 100 HG1 THR 100 -28.298 13.236 5.397 809 HG21 THR 100 HG21 THR 100 -30.033 10.353 5.524 810 HG22 THR 100 HG22 THR 100 -28.963 10.025 6.884 811 HG23 THR 100 HG23 THR 100 -28.701 9.211 5.343 812 H VAL 101 HN VAL 101 -25.995 10.528 3.343 813 HA VAL 101 HA VAL 101 -26.090 7.647 3.531 814 HB VAL 101 HB VAL 101 -25.778 7.698 1.062 815 HG11 VAL 101 HG11 VAL 101 -27.964 9.481 2.141 816 HG12 VAL 101 HG12 VAL 101 -28.022 7.722 2.036 817 HG13 VAL 101 HG13 VAL 101 -27.976 8.693 0.563 818 HG21 VAL 101 HG21 VAL 101 -24.462 9.743 0.877 819 HG22 VAL 101 HG22 VAL 101 -25.824 10.690 1.467 820 HG23 VAL 101 HG23 VAL 101 -25.930 9.873 -0.097 821 H GLU 102 HN GLU 102 -24.494 6.335 2.424 822 HA GLU 102 HA GLU 102 -22.524 5.429 2.094 823 HB2 GLU 102 HB3 GLU 102 -21.888 7.686 1.037 824 HB3 GLU 102 HB2 GLU 102 -21.143 8.081 2.576 825 HG2 GLU 102 HG3 GLU 102 -19.440 7.317 1.091 826 HG3 GLU 102 HG2 GLU 102 -19.703 6.061 2.304 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 -7.812 -19.982 23.946 2 H2 GLY 1 HT2 GLY 1 -7.060 -18.518 24.324 3 H3 GLY 1 HT3 GLY 1 -6.737 -19.269 22.858 4 HA2 GLY 1 HA2 GLY 1 -9.046 -18.972 22.187 5 HA3 GLY 1 HA3 GLY 1 -9.323 -18.129 23.707 6 H HIS 2 HN HIS 2 -10.016 -16.406 22.259 7 HA HIS 2 HA HIS 2 -9.862 -14.429 21.286 8 HB2 HIS 2 HB2 HIS 2 -7.045 -14.407 22.407 9 HB3 HIS 2 HB1 HIS 2 -7.744 -13.044 21.551 10 HD1 HIS 2 HD1 HIS 2 -9.270 -11.485 22.921 11 HD2 HIS 2 HD2 HIS 2 -8.208 -14.964 24.931 12 HE1 HIS 2 HE1 HIS 2 -9.975 -11.152 25.306 13 H MET 3 HN MET 3 -6.493 -15.208 20.578 14 HA MET 3 HA MET 3 -7.141 -15.494 17.739 15 HB2 MET 3 HB2 MET 3 -5.038 -13.618 18.864 16 HB3 MET 3 HB1 MET 3 -5.187 -14.054 17.176 17 HG2 MET 3 HG2 MET 3 -7.358 -12.930 17.087 18 HG3 MET 3 HG1 MET 3 -7.206 -12.517 18.797 19 HE1 MET 3 HE1 MET 3 -7.765 -10.347 16.518 20 HE2 MET 3 HE2 MET 3 -6.668 -9.051 16.992 21 HE3 MET 3 HE3 MET 3 -7.594 -9.916 18.220 22 H LEU 4 HN LEU 4 -5.605 -16.731 16.676 23 HA LEU 4 HA LEU 4 -3.543 -17.994 18.356 24 HB2 LEU 4 HB2 LEU 4 -4.794 -18.939 15.759 25 HB3 LEU 4 HB1 LEU 4 -3.576 -19.805 16.664 26 HG LEU 4 HG LEU 4 -6.413 -19.280 17.553 27 HD11 LEU 4 HD11 LEU 4 -6.241 -20.948 15.795 28 HD12 LEU 4 HD12 LEU 4 -6.677 -21.690 17.334 29 HD13 LEU 4 HD13 LEU 4 -5.027 -21.824 16.726 30 HD21 LEU 4 HD21 LEU 4 -4.203 -20.818 18.922 31 HD22 LEU 4 HD22 LEU 4 -5.884 -20.724 19.455 32 HD23 LEU 4 HD23 LEU 4 -4.879 -19.279 19.460 33 H ARG 5 HN ARG 5 -1.874 -18.868 16.288 34 HA ARG 5 HA ARG 5 -0.646 -16.441 15.424 35 HB2 ARG 5 HB2 ARG 5 0.946 -17.815 14.204 36 HB3 ARG 5 HB1 ARG 5 0.671 -18.541 15.775 37 HG2 ARG 5 HG2 ARG 5 -0.842 -20.172 14.729 38 HG3 ARG 5 HG1 ARG 5 -0.501 -19.446 13.157 39 HD2 ARG 5 HD2 ARG 5 1.915 -19.935 13.541 40 HD3 ARG 5 HD1 ARG 5 1.445 -20.805 15.002 41 HE ARG 5 HE ARG 5 0.149 -21.618 12.560 42 HH11 ARG 5 HH11 ARG 5 2.788 -22.255 14.827 43 HH12 ARG 5 HH12 ARG 5 3.036 -23.850 14.270 44 HH21 ARG 5 HH21 ARG 5 0.526 -23.796 11.807 45 HH22 ARG 5 HH22 ARG 5 1.752 -24.731 12.525 46 H THR 6 HN THR 6 -3.114 -18.425 14.205 47 HA THR 6 HA THR 6 -3.081 -17.169 11.614 48 HB THR 6 HB THR 6 -4.994 -18.866 11.299 49 HG1 THR 6 HG1 THR 6 -4.438 -20.748 12.799 50 HG21 THR 6 HG21 THR 6 -2.792 -19.128 10.267 51 HG22 THR 6 HG22 THR 6 -3.409 -20.685 10.819 52 HG23 THR 6 HG23 THR 6 -2.176 -19.843 11.756 53 H ALA 7 HN ALA 7 -4.523 -15.522 11.265 54 HA ALA 7 HA ALA 7 -6.972 -15.344 12.752 55 HB1 ALA 7 HB1 ALA 7 -6.496 -13.118 13.684 56 HB2 ALA 7 HB2 ALA 7 -4.838 -13.227 13.087 57 HB3 ALA 7 HB3 ALA 7 -5.397 -14.334 14.338 58 H GLY 8 HN GLY 8 -8.227 -13.449 12.007 59 HA2 GLY 8 HA3 GLY 8 -7.980 -13.068 9.164 60 HA3 GLY 8 HA2 GLY 8 -9.199 -12.362 10.224 61 H ARG 9 HN ARG 9 -6.034 -11.985 8.879 62 HA ARG 9 HA ARG 9 -6.030 -9.188 9.714 63 HB2 ARG 9 HB2 ARG 9 -4.851 -10.618 11.425 64 HB3 ARG 9 HB1 ARG 9 -3.698 -11.047 10.182 65 HG2 ARG 9 HG2 ARG 9 -2.971 -8.767 10.010 66 HG3 ARG 9 HG1 ARG 9 -4.208 -8.255 11.164 67 HD2 ARG 9 HD2 ARG 9 -3.199 -9.811 12.824 68 HD3 ARG 9 HD1 ARG 9 -1.898 -10.108 11.671 69 HE ARG 9 HE ARG 9 -2.024 -7.384 11.964 70 HH11 ARG 9 HH11 ARG 9 -1.413 -10.120 14.112 71 HH12 ARG 9 HH12 ARG 9 -0.516 -9.194 15.234 72 HH21 ARG 9 HH21 ARG 9 -0.845 -6.161 13.443 73 HH22 ARG 9 HH22 ARG 9 -0.183 -6.874 14.856 74 H ASP 10 HN ASP 10 -3.853 -11.595 8.311 75 HA ASP 10 HA ASP 10 -2.793 -11.843 6.400 76 HB2 ASP 10 HB2 ASP 10 -5.189 -10.423 5.239 77 HB3 ASP 10 HB1 ASP 10 -3.991 -11.302 4.297 78 H GLY 11 HN GLY 11 -4.098 -8.817 5.194 79 HA2 GLY 11 HA3 GLY 11 -3.062 -6.808 4.767 80 HA3 GLY 11 HA2 GLY 11 -1.652 -7.372 5.657 81 H LEU 12 HN LEU 12 -0.637 -9.294 4.565 82 HA LEU 12 HA LEU 12 0.839 -8.573 2.359 83 HB2 LEU 12 HB2 LEU 12 1.472 -10.333 3.901 84 HB3 LEU 12 HB1 LEU 12 0.126 -11.313 3.385 85 HG LEU 12 HG LEU 12 1.186 -11.538 1.158 86 HD11 LEU 12 HD11 LEU 12 2.483 -9.508 1.141 87 HD12 LEU 12 HD12 LEU 12 3.511 -10.913 0.874 88 HD13 LEU 12 HD13 LEU 12 3.495 -10.113 2.452 89 HD21 LEU 12 HD21 LEU 12 1.490 -13.250 2.842 90 HD22 LEU 12 HD22 LEU 12 2.879 -12.382 3.501 91 HD23 LEU 12 HD23 LEU 12 2.954 -13.063 1.874 92 H CYS 13 HN CYS 13 -2.112 -10.461 2.436 93 HA CYS 13 HA CYS 13 -2.108 -11.339 -0.221 94 HB2 CYS 13 HB2 CYS 13 -3.442 -12.392 1.545 95 HB3 CYS 13 HB1 CYS 13 -4.421 -10.937 1.677 96 HG CYS 13 HG CYS 13 -5.469 -11.214 -0.935 97 H ARG 14 HN ARG 14 -4.058 -8.714 1.273 98 HA ARG 14 HA ARG 14 -5.074 -7.801 -1.201 99 HB2 ARG 14 HB2 ARG 14 -6.223 -7.384 0.895 100 HB3 ARG 14 HB1 ARG 14 -4.862 -6.446 1.488 101 HG2 ARG 14 HG2 ARG 14 -5.275 -4.744 -0.176 102 HG3 ARG 14 HG1 ARG 14 -6.575 -5.717 -0.864 103 HD2 ARG 14 HD2 ARG 14 -6.524 -4.677 1.959 104 HD3 ARG 14 HD1 ARG 14 -7.369 -3.896 0.623 105 HE ARG 14 HE ARG 14 -8.402 -6.308 0.507 106 HH11 ARG 14 HH11 ARG 14 -7.831 -4.291 3.381 107 HH12 ARG 14 HH12 ARG 14 -9.212 -4.862 4.197 108 HH21 ARG 14 HH21 ARG 14 -10.301 -7.052 1.684 109 HH22 ARG 14 HH22 ARG 14 -10.620 -6.416 3.241 110 H LEU 15 HN LEU 15 -2.299 -6.956 0.720 111 HA LEU 15 HA LEU 15 -1.503 -4.583 -0.413 112 HB2 LEU 15 HB2 LEU 15 -0.625 -5.572 1.622 113 HB3 LEU 15 HB1 LEU 15 0.114 -6.853 0.699 114 HG LEU 15 HG LEU 15 1.678 -5.252 -0.291 115 HD11 LEU 15 HD11 LEU 15 0.214 -3.283 -0.252 116 HD12 LEU 15 HD12 LEU 15 1.762 -2.983 0.533 117 HD13 LEU 15 HD13 LEU 15 0.325 -3.260 1.510 118 HD21 LEU 15 HD21 LEU 15 2.254 -6.383 1.771 119 HD22 LEU 15 HD22 LEU 15 1.464 -5.110 2.698 120 HD23 LEU 15 HD23 LEU 15 2.906 -4.743 1.750 121 H SER 16 HN SER 16 -0.539 -7.910 -1.359 122 HA SER 16 HA SER 16 1.145 -7.001 -3.442 123 HB2 SER 16 HB2 SER 16 1.024 -9.478 -4.138 124 HB3 SER 16 HB1 SER 16 1.703 -9.110 -2.551 125 HG SER 16 HG SER 16 -0.034 -9.923 -1.594 126 H THR 17 HN THR 17 -2.200 -8.006 -3.342 127 HA THR 17 HA THR 17 -2.720 -8.194 -6.070 128 HB THR 17 HB THR 17 -4.531 -7.407 -3.777 129 HG1 THR 17 HG1 THR 17 -3.896 -9.899 -4.976 130 HG21 THR 17 HG21 THR 17 -6.361 -8.276 -5.160 131 HG22 THR 17 HG22 THR 17 -5.222 -8.594 -6.469 132 HG23 THR 17 HG23 THR 17 -5.558 -6.932 -5.976 133 H TYR 18 HN TYR 18 -2.701 -5.376 -3.931 134 HA TYR 18 HA TYR 18 -3.642 -3.679 -6.076 135 HB2 TYR 18 HB2 TYR 18 -2.924 -3.158 -3.221 136 HB3 TYR 18 HB1 TYR 18 -3.177 -1.828 -4.348 137 HD1 TYR 18 HD2 TYR 18 -4.841 -4.847 -2.930 138 HD2 TYR 18 HD1 TYR 18 -5.315 -1.075 -4.809 139 HE1 TYR 18 HE2 TYR 18 -7.277 -4.964 -2.561 140 HE2 TYR 18 HE1 TYR 18 -7.719 -1.200 -4.443 141 HH TYR 18 HH TYR 18 -9.105 -3.357 -2.321 142 H LEU 19 HN LEU 19 -0.596 -4.342 -4.496 143 HA LEU 19 HA LEU 19 0.805 -2.209 -5.681 144 HB2 LEU 19 HB2 LEU 19 1.779 -4.821 -4.560 145 HB3 LEU 19 HB1 LEU 19 2.858 -3.592 -5.177 146 HG LEU 19 HG LEU 19 0.978 -3.239 -2.827 147 HD11 LEU 19 HD11 LEU 19 3.014 -3.208 -1.502 148 HD12 LEU 19 HD12 LEU 19 3.969 -3.568 -2.941 149 HD13 LEU 19 HD13 LEU 19 2.804 -4.748 -2.330 150 HD21 LEU 19 HD21 LEU 19 1.322 -1.150 -4.020 151 HD22 LEU 19 HD22 LEU 19 3.065 -1.401 -4.003 152 HD23 LEU 19 HD23 LEU 19 2.198 -1.135 -2.495 153 H GLU 20 HN GLU 20 -0.300 -5.137 -7.054 154 HA GLU 20 HA GLU 20 1.724 -5.282 -9.059 155 HB2 GLU 20 HB3 GLU 20 0.464 -7.000 -10.090 156 HB3 GLU 20 HB2 GLU 20 0.329 -7.234 -8.353 157 HG2 GLU 20 HG3 GLU 20 -1.869 -6.288 -8.360 158 HG3 GLU 20 HG2 GLU 20 -1.725 -5.919 -10.081 159 H GLU 21 HN GLU 21 -0.865 -3.180 -8.643 160 HA GLU 21 HA GLU 21 -1.026 -2.691 -11.492 161 HB2 GLU 21 HB3 GLU 21 -2.684 -1.654 -9.209 162 HB3 GLU 21 HB2 GLU 21 -2.823 -0.997 -10.840 163 HG2 GLU 21 HG3 GLU 21 -3.303 -3.347 -11.614 164 HG3 GLU 21 HG2 GLU 21 -3.397 -3.789 -9.911 165 H LEU 22 HN LEU 22 1.174 -1.987 -9.462 166 HA LEU 22 HA LEU 22 1.545 0.747 -10.429 167 HB2 LEU 22 HB2 LEU 22 3.108 -0.800 -8.352 168 HB3 LEU 22 HB1 LEU 22 3.493 0.811 -8.888 169 HG LEU 22 HG LEU 22 1.061 -0.020 -7.317 170 HD11 LEU 22 HD11 LEU 22 3.048 0.033 -5.972 171 HD12 LEU 22 HD12 LEU 22 2.099 1.485 -5.611 172 HD13 LEU 22 HD13 LEU 22 3.513 1.589 -6.648 173 HD21 LEU 22 HD21 LEU 22 0.543 2.374 -7.226 174 HD22 LEU 22 HD22 LEU 22 0.487 1.763 -8.876 175 HD23 LEU 22 HD23 LEU 22 1.877 2.706 -8.328 176 H GLU 23 HN GLU 23 3.161 1.188 -11.790 177 HA GLU 23 HA GLU 23 4.332 -0.970 -13.293 178 HB2 GLU 23 HB3 GLU 23 4.835 2.002 -13.442 179 HB3 GLU 23 HB2 GLU 23 5.306 0.801 -14.620 180 HG2 GLU 23 HG3 GLU 23 2.491 1.512 -13.902 181 HG3 GLU 23 HG2 GLU 23 3.383 2.031 -15.336 182 H ALA 24 HN ALA 24 6.765 -0.736 -13.793 183 HA ALA 24 HA ALA 24 8.281 -1.091 -11.471 184 HB1 ALA 24 HB1 ALA 24 10.238 -1.019 -12.955 185 HB2 ALA 24 HB2 ALA 24 9.246 -0.338 -14.241 186 HB3 ALA 24 HB3 ALA 24 8.944 -1.980 -13.669 187 H VAL 25 HN VAL 25 7.824 1.695 -13.548 188 HA VAL 25 HA VAL 25 9.536 3.436 -12.141 189 HB VAL 25 HB VAL 25 8.858 3.979 -14.427 190 HG11 VAL 25 HG11 VAL 25 6.607 4.711 -14.998 191 HG12 VAL 25 HG12 VAL 25 6.088 4.391 -13.347 192 HG13 VAL 25 HG13 VAL 25 6.587 3.051 -14.385 193 HG21 VAL 25 HG21 VAL 25 7.798 5.979 -12.465 194 HG22 VAL 25 HG22 VAL 25 8.162 6.322 -14.152 195 HG23 VAL 25 HG23 VAL 25 9.468 5.877 -13.035 196 H GLU 26 HN GLU 26 6.128 2.665 -11.744 197 HA GLU 26 HA GLU 26 5.590 4.769 -9.891 198 HB2 GLU 26 HB3 GLU 26 4.047 2.220 -10.370 199 HB3 GLU 26 HB2 GLU 26 3.442 3.610 -9.489 200 HG2 GLU 26 HG3 GLU 26 4.146 3.483 -12.418 201 HG3 GLU 26 HG2 GLU 26 2.519 3.543 -11.738 202 H LEU 27 HN LEU 27 6.404 1.359 -9.614 203 HA LEU 27 HA LEU 27 6.252 1.089 -6.837 204 HB2 LEU 27 HB2 LEU 27 8.078 -0.238 -8.844 205 HB3 LEU 27 HB1 LEU 27 8.008 -0.707 -7.161 206 HG LEU 27 HG LEU 27 5.651 -0.864 -9.051 207 HD11 LEU 27 HD11 LEU 27 7.423 -2.374 -9.771 208 HD12 LEU 27 HD12 LEU 27 6.073 -3.269 -9.083 209 HD13 LEU 27 HD13 LEU 27 7.546 -3.031 -8.141 210 HD21 LEU 27 HD21 LEU 27 6.121 -2.017 -6.302 211 HD22 LEU 27 HD22 LEU 27 4.702 -2.301 -7.310 212 HD23 LEU 27 HD23 LEU 27 5.033 -0.683 -6.692 213 H LYS 28 HN LYS 28 8.876 2.140 -8.922 214 HA LYS 28 HA LYS 28 10.882 2.531 -7.030 215 HB2 LYS 28 HB2 LYS 28 11.191 2.628 -9.468 216 HB3 LYS 28 HB1 LYS 28 10.298 4.137 -9.512 217 HG2 LYS 28 HG2 LYS 28 12.028 5.202 -8.162 218 HG3 LYS 28 HG1 LYS 28 12.923 3.681 -8.119 219 HD2 LYS 28 HD2 LYS 28 13.122 3.704 -10.536 220 HD3 LYS 28 HD1 LYS 28 12.177 5.190 -10.612 221 HE2 LYS 28 HE2 LYS 28 13.906 6.329 -9.294 222 HE3 LYS 28 HE1 LYS 28 14.843 4.839 -9.268 223 HZ1 LYS 28 HZ1 LYS 28 15.037 4.936 -11.647 224 HZ2 LYS 28 HZ2 LYS 28 15.556 6.415 -11.005 225 HZ3 LYS 28 HZ3 LYS 28 14.054 6.292 -11.721 226 H LYS 29 HN LYS 29 8.322 4.721 -8.044 227 HA LYS 29 HA LYS 29 9.069 6.955 -6.466 228 HB2 LYS 29 HB2 LYS 29 6.308 6.106 -7.278 229 HB3 LYS 29 HB1 LYS 29 6.782 7.732 -6.820 230 HG2 LYS 29 HG2 LYS 29 8.283 7.765 -8.855 231 HG3 LYS 29 HG1 LYS 29 7.555 6.232 -9.310 232 HD2 LYS 29 HD2 LYS 29 5.337 7.283 -9.303 233 HD3 LYS 29 HD1 LYS 29 6.083 8.827 -8.901 234 HE2 LYS 29 HE2 LYS 29 6.580 7.209 -11.397 235 HE3 LYS 29 HE1 LYS 29 5.595 8.659 -11.280 236 HZ1 LYS 29 HZ1 LYS 29 8.523 8.555 -10.749 237 HZ2 LYS 29 HZ2 LYS 29 7.559 9.936 -10.718 238 HZ3 LYS 29 HZ3 LYS 29 7.803 9.121 -12.160 239 H PHE 30 HN PHE 30 6.696 4.421 -6.007 240 HA PHE 30 HA PHE 30 5.722 5.014 -3.508 241 HB2 PHE 30 HB2 PHE 30 4.439 3.441 -4.525 242 HB3 PHE 30 HB1 PHE 30 5.800 2.715 -5.337 243 HD1 PHE 30 HD2 PHE 30 3.765 2.675 -2.214 244 HD2 PHE 30 HD1 PHE 30 6.824 0.809 -4.495 245 HE1 PHE 30 HE2 PHE 30 3.581 0.682 -0.822 246 HE2 PHE 30 HE1 PHE 30 6.634 -1.210 -3.092 247 HZ PHE 30 HZ PHE 30 5.004 -1.264 -1.253 248 H LYS 31 HN LYS 31 8.535 3.027 -4.300 249 HA LYS 31 HA LYS 31 9.075 2.278 -1.585 250 HB2 LYS 31 HB2 LYS 31 11.037 2.383 -3.840 251 HB3 LYS 31 HB1 LYS 31 11.149 1.458 -2.344 252 HG2 LYS 31 HG2 LYS 31 9.299 0.054 -3.050 253 HG3 LYS 31 HG1 LYS 31 9.140 1.001 -4.530 254 HD2 LYS 31 HD2 LYS 31 11.541 -0.629 -3.712 255 HD3 LYS 31 HD1 LYS 31 10.361 -1.080 -4.942 256 HE2 LYS 31 HE2 LYS 31 11.011 0.823 -6.275 257 HE3 LYS 31 HE1 LYS 31 12.181 1.349 -5.050 258 HZ1 LYS 31 HZ1 LYS 31 12.996 -1.103 -5.462 259 HZ2 LYS 31 HZ2 LYS 31 13.565 0.176 -6.350 260 HZ3 LYS 31 HZ3 LYS 31 12.335 -0.816 -6.993 261 H LEU 32 HN LEU 32 10.277 4.936 -3.633 262 HA LEU 32 HA LEU 32 12.147 5.650 -1.581 263 HB2 LEU 32 HB2 LEU 32 12.675 7.613 -2.883 264 HB3 LEU 32 HB1 LEU 32 12.597 6.235 -3.943 265 HG LEU 32 HG LEU 32 10.196 7.122 -4.515 266 HD11 LEU 32 HD11 LEU 32 10.026 8.799 -2.776 267 HD12 LEU 32 HD12 LEU 32 9.945 9.536 -4.379 268 HD13 LEU 32 HD13 LEU 32 11.429 9.643 -3.433 269 HD21 LEU 32 HD21 LEU 32 12.688 8.544 -5.374 270 HD22 LEU 32 HD22 LEU 32 11.152 8.558 -6.250 271 HD23 LEU 32 HD23 LEU 32 12.058 7.050 -6.065 272 H TYR 33 HN TYR 33 8.885 6.397 -2.306 273 HA TYR 33 HA TYR 33 8.701 8.622 -0.626 274 HB2 TYR 33 HB2 TYR 33 6.952 8.102 -2.303 275 HB3 TYR 33 HB1 TYR 33 6.494 6.681 -1.364 276 HD1 TYR 33 HD1 TYR 33 5.298 6.901 0.721 277 HD2 TYR 33 HD2 TYR 33 6.480 10.321 -1.482 278 HE1 TYR 33 HE1 TYR 33 3.894 8.268 2.167 279 HE2 TYR 33 HE2 TYR 33 5.064 11.742 -0.044 280 HH TYR 33 HH TYR 33 4.062 10.796 2.847 281 H LEU 34 HN LEU 34 7.780 5.246 0.019 282 HA LEU 34 HA LEU 34 7.512 5.966 2.825 283 HB2 LEU 34 HB2 LEU 34 6.682 3.621 3.101 284 HB3 LEU 34 HB1 LEU 34 5.719 4.692 2.112 285 HG LEU 34 HG LEU 34 6.671 3.557 0.088 286 HD11 LEU 34 HD11 LEU 34 8.677 2.579 1.027 287 HD12 LEU 34 HD12 LEU 34 7.630 1.324 0.354 288 HD13 LEU 34 HD13 LEU 34 7.705 1.572 2.098 289 HD21 LEU 34 HD21 LEU 34 4.484 3.070 0.945 290 HD22 LEU 34 HD22 LEU 34 5.177 1.854 2.040 291 HD23 LEU 34 HD23 LEU 34 5.275 1.635 0.287 292 H GLY 35 HN GLY 35 9.840 4.313 0.900 293 HA2 GLY 35 HA3 GLY 35 10.824 2.656 2.950 294 HA3 GLY 35 HA2 GLY 35 11.663 3.056 1.455 295 H THR 36 HN THR 36 11.936 5.706 1.700 296 HA THR 36 HA THR 36 13.717 5.907 4.021 297 HB THR 36 HB THR 36 14.920 5.865 1.862 298 HG1 THR 36 HG1 THR 36 15.232 7.723 3.693 299 HG21 THR 36 HG21 THR 36 13.192 6.807 0.389 300 HG22 THR 36 HG22 THR 36 14.703 7.677 0.208 301 HG23 THR 36 HG23 THR 36 13.393 8.383 1.150 302 H ALA 37 HN ALA 37 10.862 6.518 3.760 303 HA ALA 37 HA ALA 37 10.278 9.270 3.685 304 HB1 ALA 37 HB1 ALA 37 8.875 7.070 5.158 305 HB2 ALA 37 HB2 ALA 37 8.533 7.657 3.520 306 HB3 ALA 37 HB3 ALA 37 8.244 8.699 4.913 307 H THR 38 HN THR 38 10.815 10.835 4.996 308 HA THR 38 HA THR 38 11.875 10.413 7.579 309 HB THR 38 HB THR 38 11.526 12.974 7.674 310 HG1 THR 38 HG1 THR 38 11.391 12.838 4.884 311 HG21 THR 38 HG21 THR 38 13.278 11.726 5.543 312 HG22 THR 38 HG22 THR 38 13.699 11.919 7.244 313 HG23 THR 38 HG23 THR 38 13.483 13.340 6.223 314 H GLU 39 HN GLU 39 8.758 10.631 6.352 315 HA GLU 39 HA GLU 39 7.282 11.697 8.541 316 HB2 GLU 39 HB3 GLU 39 6.420 9.679 6.481 317 HB3 GLU 39 HB2 GLU 39 5.348 10.579 7.542 318 HG2 GLU 39 HG3 GLU 39 6.065 12.651 6.496 319 HG3 GLU 39 HG2 GLU 39 7.148 11.723 5.449 320 H LEU 40 HN LEU 40 8.802 8.716 8.012 321 HA LEU 40 HA LEU 40 7.270 7.213 10.001 322 HB2 LEU 40 HB2 LEU 40 9.763 6.511 8.505 323 HB3 LEU 40 HB1 LEU 40 8.813 5.428 9.484 324 HG LEU 40 HG LEU 40 8.000 6.709 6.883 325 HD11 LEU 40 HD11 LEU 40 8.657 3.862 7.592 326 HD12 LEU 40 HD12 LEU 40 9.631 4.963 6.615 327 HD13 LEU 40 HD13 LEU 40 8.059 4.420 6.032 328 HD21 LEU 40 HD21 LEU 40 6.045 6.429 8.332 329 HD22 LEU 40 HD22 LEU 40 6.455 4.724 8.562 330 HD23 LEU 40 HD23 LEU 40 6.022 5.329 6.957 331 H GLY 41 HN GLY 41 9.767 9.308 9.849 332 HA2 GLY 41 HA3 GLY 41 10.774 10.074 11.923 333 HA3 GLY 41 HA2 GLY 41 10.965 8.369 12.360 334 H GLU 42 HN GLU 42 12.128 7.069 10.691 335 HA GLU 42 HA GLU 42 14.269 8.655 9.582 336 HB2 GLU 42 HB3 GLU 42 15.515 6.266 10.017 337 HB3 GLU 42 HB2 GLU 42 15.616 7.667 11.068 338 HG2 GLU 42 HG3 GLU 42 15.162 5.770 12.431 339 HG3 GLU 42 HG2 GLU 42 13.725 6.793 12.326 340 H GLY 43 HN GLY 43 12.705 5.498 9.283 341 HA2 GLY 43 HA3 GLY 43 11.795 5.233 6.895 342 HA3 GLY 43 HA2 GLY 43 13.486 5.474 6.446 343 H LYS 44 HN LYS 44 11.218 3.208 7.092 344 HA LYS 44 HA LYS 44 12.804 1.382 8.608 345 HB2 LYS 44 HB2 LYS 44 10.066 1.260 7.438 346 HB3 LYS 44 HB1 LYS 44 10.851 -0.234 7.917 347 HG2 LYS 44 HG2 LYS 44 9.377 0.637 9.673 348 HG3 LYS 44 HG1 LYS 44 11.053 0.568 10.201 349 HD2 LYS 44 HD2 LYS 44 11.245 2.999 9.736 350 HD3 LYS 44 HD1 LYS 44 9.532 3.020 9.321 351 HE2 LYS 44 HE2 LYS 44 8.926 2.346 11.543 352 HE3 LYS 44 HE1 LYS 44 10.610 2.121 11.994 353 HZ1 LYS 44 HZ1 LYS 44 10.942 4.521 11.592 354 HZ2 LYS 44 HZ2 LYS 44 9.837 4.199 12.827 355 HZ3 LYS 44 HZ3 LYS 44 9.276 4.691 11.335 356 H ILE 45 HN ILE 45 12.520 1.966 5.241 357 HA ILE 45 HA ILE 45 13.367 -0.745 4.653 358 HB ILE 45 HB ILE 45 12.674 1.528 2.779 359 HG12 ILE 45 HG12 ILE 45 10.721 0.569 3.924 360 HG13 ILE 45 HG11 ILE 45 10.694 0.180 2.210 361 HG21 ILE 45 HG21 ILE 45 12.818 -0.100 0.949 362 HG22 ILE 45 HG22 ILE 45 13.436 -1.306 2.083 363 HG23 ILE 45 HG23 ILE 45 14.375 0.138 1.742 364 HD11 ILE 45 HD11 ILE 45 9.989 -1.715 3.542 365 HD12 ILE 45 HD12 ILE 45 11.489 -1.667 4.458 366 HD13 ILE 45 HD13 ILE 45 11.520 -2.076 2.741 367 HA PRO 46 HA PRO 46 17.615 0.525 4.646 368 HB2 PRO 46 HB2 PRO 46 18.650 -1.843 3.860 369 HB3 PRO 46 HB1 PRO 46 18.041 -1.572 5.495 370 HG2 PRO 46 HG2 PRO 46 16.688 -2.888 3.173 371 HG3 PRO 46 HG1 PRO 46 16.750 -3.421 4.869 372 HD2 PRO 46 HD2 PRO 46 14.641 -2.158 3.776 373 HD3 PRO 46 HD1 PRO 46 15.084 -1.966 5.483 374 H TRP 47 HN TRP 47 18.740 1.532 3.192 375 HA TRP 47 HA TRP 47 19.053 2.620 1.267 376 HB2 TRP 47 HB2 TRP 47 20.955 1.481 0.113 377 HB3 TRP 47 HB1 TRP 47 21.110 1.704 1.841 378 HD1 TRP 47 HD1 TRP 47 20.846 -1.037 -0.823 379 HE1 TRP 47 HE1 TRP 47 21.428 -3.301 0.230 380 HE3 TRP 47 HE3 TRP 47 21.087 0.401 4.074 381 HZ2 TRP 47 HZ2 TRP 47 21.939 -4.345 2.812 382 HZ3 TRP 47 HZ3 TRP 47 21.638 -1.291 5.771 383 HH2 TRP 47 HH2 TRP 47 22.054 -3.606 5.153 384 H GLY 48 HN GLY 48 18.774 -0.576 -0.010 385 HA2 GLY 48 HA3 GLY 48 16.826 0.215 -1.965 386 HA3 GLY 48 HA2 GLY 48 18.431 -0.009 -2.654 387 H SER 49 HN SER 49 17.136 -1.838 0.063 388 HA SER 49 HA SER 49 17.788 -4.311 -1.164 389 HB2 SER 49 HB2 SER 49 16.055 -3.789 1.251 390 HB3 SER 49 HB1 SER 49 16.981 -5.249 0.891 391 HG SER 49 HG SER 49 18.815 -4.258 1.364 392 H MET 50 HN MET 50 15.431 -2.322 -1.949 393 HA MET 50 HA MET 50 13.452 -4.388 -2.552 394 HB2 MET 50 HB2 MET 50 11.847 -2.377 -2.658 395 HB3 MET 50 HB1 MET 50 12.313 -3.012 -1.098 396 HG2 MET 50 HG2 MET 50 12.247 -0.543 -1.185 397 HG3 MET 50 HG1 MET 50 13.809 -1.189 -0.707 398 HE1 MET 50 HE1 MET 50 14.684 2.151 -2.583 399 HE2 MET 50 HE2 MET 50 14.847 1.244 -1.078 400 HE3 MET 50 HE3 MET 50 13.267 1.849 -1.579 401 H GLU 51 HN GLU 51 15.852 -2.978 -4.009 402 HA GLU 51 HA GLU 51 14.674 -1.689 -6.229 403 HB2 GLU 51 HB3 GLU 51 17.349 -2.837 -5.713 404 HB3 GLU 51 HB2 GLU 51 16.959 -2.165 -7.294 405 HG2 GLU 51 HG3 GLU 51 16.770 -0.678 -4.668 406 HG3 GLU 51 HG2 GLU 51 18.110 -0.546 -5.807 407 H LYS 52 HN LYS 52 15.704 -4.988 -5.756 408 HA LYS 52 HA LYS 52 14.741 -5.671 -8.441 409 HB2 LYS 52 HB2 LYS 52 16.126 -7.392 -6.373 410 HB3 LYS 52 HB1 LYS 52 15.752 -7.877 -8.021 411 HG2 LYS 52 HG2 LYS 52 17.599 -5.631 -7.243 412 HG3 LYS 52 HG1 LYS 52 18.113 -7.247 -7.726 413 HD2 LYS 52 HD2 LYS 52 17.169 -6.917 -9.940 414 HD3 LYS 52 HD1 LYS 52 16.508 -5.356 -9.459 415 HE2 LYS 52 HE2 LYS 52 18.568 -5.115 -10.777 416 HE3 LYS 52 HE1 LYS 52 18.744 -4.463 -9.153 417 HZ1 LYS 52 HZ1 LYS 52 19.707 -7.142 -10.007 418 HZ2 LYS 52 HZ2 LYS 52 20.000 -6.407 -8.515 419 HZ3 LYS 52 HZ3 LYS 52 20.658 -5.771 -9.914 420 H ALA 53 HN ALA 53 13.090 -4.948 -6.052 421 HA ALA 53 HA ALA 53 11.595 -7.420 -5.642 422 HB1 ALA 53 HB1 ALA 53 12.366 -6.314 -3.623 423 HB2 ALA 53 HB2 ALA 53 10.602 -6.236 -3.712 424 HB3 ALA 53 HB3 ALA 53 11.582 -4.823 -4.120 425 H GLY 54 HN GLY 54 9.707 -7.645 -6.618 426 HA2 GLY 54 HA3 GLY 54 8.462 -5.313 -7.878 427 HA3 GLY 54 HA2 GLY 54 8.175 -6.996 -8.294 428 HA PRO 55 HA PRO 55 4.516 -5.310 -5.901 429 HB2 PRO 55 HB2 PRO 55 3.413 -7.644 -7.393 430 HB3 PRO 55 HB1 PRO 55 2.712 -6.043 -7.127 431 HG2 PRO 55 HG2 PRO 55 3.782 -6.651 -9.472 432 HG3 PRO 55 HG1 PRO 55 4.034 -5.049 -8.757 433 HD2 PRO 55 HD2 PRO 55 5.951 -7.347 -8.933 434 HD3 PRO 55 HD1 PRO 55 6.254 -5.613 -9.030 435 H LEU 56 HN LEU 56 5.461 -8.676 -6.370 436 HA LEU 56 HA LEU 56 4.017 -9.595 -4.012 437 HB2 LEU 56 HB2 LEU 56 6.121 -11.040 -5.624 438 HB3 LEU 56 HB1 LEU 56 5.104 -11.758 -4.397 439 HG LEU 56 HG LEU 56 4.220 -10.703 -7.081 440 HD11 LEU 56 HD11 LEU 56 5.391 -12.826 -7.183 441 HD12 LEU 56 HD12 LEU 56 3.676 -13.042 -7.530 442 HD13 LEU 56 HD13 LEU 56 4.322 -13.492 -5.954 443 HD21 LEU 56 HD21 LEU 56 2.000 -11.602 -6.485 444 HD22 LEU 56 HD22 LEU 56 2.487 -10.268 -5.445 445 HD23 LEU 56 HD23 LEU 56 2.583 -11.928 -4.852 446 H GLU 57 HN GLU 57 7.430 -9.384 -4.835 447 HA GLU 57 HA GLU 57 8.450 -9.999 -2.340 448 HB2 GLU 57 HB3 GLU 57 9.670 -8.101 -4.340 449 HB3 GLU 57 HB2 GLU 57 10.548 -8.938 -3.084 450 HG2 GLU 57 HG3 GLU 57 11.057 -10.231 -4.899 451 HG3 GLU 57 HG2 GLU 57 9.608 -11.066 -4.333 452 H MET 58 HN MET 58 7.495 -6.873 -3.661 453 HA MET 58 HA MET 58 8.344 -5.275 -1.527 454 HB2 MET 58 HB2 MET 58 6.255 -4.921 -3.629 455 HB3 MET 58 HB1 MET 58 6.362 -3.743 -2.332 456 HG2 MET 58 HG2 MET 58 8.812 -4.496 -3.851 457 HG3 MET 58 HG1 MET 58 7.653 -3.416 -4.603 458 HE1 MET 58 HE1 MET 58 9.823 -2.339 -0.619 459 HE2 MET 58 HE2 MET 58 10.008 -3.908 -1.401 460 HE3 MET 58 HE3 MET 58 8.469 -3.460 -0.655 461 H ALA 59 HN ALA 59 5.250 -6.833 -2.092 462 HA ALA 59 HA ALA 59 3.914 -5.873 0.120 463 HB1 ALA 59 HB1 ALA 59 2.870 -7.167 -1.692 464 HB2 ALA 59 HB2 ALA 59 2.459 -7.798 -0.103 465 HB3 ALA 59 HB3 ALA 59 3.667 -8.625 -1.098 466 H GLN 60 HN GLN 60 6.155 -8.519 -0.171 467 HA GLN 60 HA GLN 60 5.818 -9.477 2.487 468 HB2 GLN 60 HB2 GLN 60 8.134 -9.895 0.602 469 HB3 GLN 60 HB1 GLN 60 7.726 -10.883 2.003 470 HG2 GLN 60 HG2 GLN 60 5.625 -11.527 0.923 471 HG3 GLN 60 HG1 GLN 60 6.036 -10.514 -0.440 472 HE21 GLN 60 HE21 GLN 60 5.549 -13.360 -0.312 473 HE22 GLN 60 HE22 GLN 60 6.939 -14.128 -0.973 474 H LEU 61 HN LEU 61 8.020 -7.246 0.914 475 HA LEU 61 HA LEU 61 9.692 -6.939 3.152 476 HB2 LEU 61 HB2 LEU 61 9.413 -5.578 0.575 477 HB3 LEU 61 HB1 LEU 61 10.099 -4.580 1.828 478 HG LEU 61 HG LEU 61 11.862 -6.323 2.179 479 HD11 LEU 61 HD11 LEU 61 10.701 -7.602 -0.280 480 HD12 LEU 61 HD12 LEU 61 10.697 -8.274 1.348 481 HD13 LEU 61 HD13 LEU 61 12.224 -8.036 0.497 482 HD21 LEU 61 HD21 LEU 61 13.129 -5.805 0.158 483 HD22 LEU 61 HD22 LEU 61 12.306 -4.385 0.797 484 HD23 LEU 61 HD23 LEU 61 11.658 -5.222 -0.612 485 H LEU 62 HN LEU 62 6.915 -4.863 2.088 486 HA LEU 62 HA LEU 62 7.223 -3.203 4.330 487 HB2 LEU 62 HB2 LEU 62 4.725 -3.710 2.691 488 HB3 LEU 62 HB1 LEU 62 4.838 -2.499 3.943 489 HG LEU 62 HG LEU 62 5.049 -1.273 1.994 490 HD11 LEU 62 HD11 LEU 62 6.784 -0.631 3.445 491 HD12 LEU 62 HD12 LEU 62 7.332 -0.519 1.766 492 HD13 LEU 62 HD13 LEU 62 7.857 -1.862 2.779 493 HD21 LEU 62 HD21 LEU 62 5.131 -3.017 0.445 494 HD22 LEU 62 HD22 LEU 62 6.775 -3.434 0.915 495 HD23 LEU 62 HD23 LEU 62 6.452 -1.893 0.091 496 H ILE 63 HN ILE 63 5.571 -6.279 3.894 497 HA ILE 63 HA ILE 63 4.126 -6.117 6.322 498 HB ILE 63 HB ILE 63 3.888 -7.723 4.162 499 HG12 ILE 63 HG12 ILE 63 2.278 -7.374 5.986 500 HG13 ILE 63 HG11 ILE 63 2.210 -8.995 5.326 501 HG21 ILE 63 HG21 ILE 63 5.275 -9.531 6.128 502 HG22 ILE 63 HG22 ILE 63 5.900 -9.027 4.566 503 HG23 ILE 63 HG23 ILE 63 4.461 -10.049 4.652 504 HD11 ILE 63 HD11 ILE 63 1.982 -9.064 7.726 505 HD12 ILE 63 HD12 ILE 63 3.469 -8.134 7.921 506 HD13 ILE 63 HD13 ILE 63 3.535 -9.779 7.276 507 H THR 64 HN THR 64 7.363 -7.130 5.546 508 HA THR 64 HA THR 64 7.851 -8.478 8.008 509 HB THR 64 HB THR 64 9.806 -7.430 5.932 510 HG1 THR 64 HG1 THR 64 8.528 -9.011 5.029 511 HG21 THR 64 HG21 THR 64 10.226 -9.457 8.146 512 HG22 THR 64 HG22 THR 64 10.902 -7.831 8.109 513 HG23 THR 64 HG23 THR 64 11.402 -9.023 6.907 514 H HIS 65 HN HIS 65 8.295 -5.175 6.907 515 HA HIS 65 HA HIS 65 9.766 -4.528 9.344 516 HB2 HIS 65 HB2 HIS 65 9.150 -2.851 6.906 517 HB3 HIS 65 HB1 HIS 65 9.962 -2.221 8.332 518 HD1 HIS 65 HD1 HIS 65 12.476 -2.630 8.482 519 HD2 HIS 65 HD2 HIS 65 10.649 -4.800 5.454 520 HE1 HIS 65 HE1 HIS 65 14.348 -3.662 7.144 521 H PHE 66 HN PHE 66 6.904 -3.244 7.681 522 HA PHE 66 HA PHE 66 6.122 -1.704 9.949 523 HB2 PHE 66 HB2 PHE 66 4.671 -2.312 7.374 524 HB3 PHE 66 HB1 PHE 66 4.209 -1.089 8.556 525 HD1 PHE 66 HD1 PHE 66 6.705 -2.045 6.046 526 HD2 PHE 66 HD2 PHE 66 5.375 0.981 8.718 527 HE1 PHE 66 HE1 PHE 66 8.215 -0.449 4.980 528 HE2 PHE 66 HE2 PHE 66 6.887 2.585 7.638 529 HZ PHE 66 HZ PHE 66 8.322 1.832 5.763 530 H GLY 67 HN GLY 67 4.432 -4.327 8.237 531 HA2 GLY 67 HA3 GLY 67 3.744 -6.092 10.051 532 HA3 GLY 67 HA2 GLY 67 2.801 -4.695 10.603 533 HA PRO 68 HA PRO 68 0.631 -7.054 7.091 534 HB2 PRO 68 HB2 PRO 68 -1.565 -7.362 9.004 535 HB3 PRO 68 HB1 PRO 68 -0.813 -8.566 7.966 536 HG2 PRO 68 HG2 PRO 68 -0.477 -8.457 10.647 537 HG3 PRO 68 HG1 PRO 68 0.745 -9.151 9.554 538 HD2 PRO 68 HD2 PRO 68 0.692 -6.564 11.012 539 HD3 PRO 68 HD1 PRO 68 2.080 -7.551 10.520 540 H GLU 69 HN GLU 69 -1.253 -5.349 9.568 541 HA GLU 69 HA GLU 69 -2.927 -4.055 7.702 542 HB2 GLU 69 HB3 GLU 69 -2.384 -3.114 10.511 543 HB3 GLU 69 HB2 GLU 69 -3.798 -2.774 9.528 544 HG2 GLU 69 HG3 GLU 69 -4.686 -4.404 10.773 545 HG3 GLU 69 HG2 GLU 69 -3.938 -5.423 9.557 546 H GLU 70 HN GLU 70 0.003 -3.118 9.361 547 HA GLU 70 HA GLU 70 -0.106 -0.393 8.692 548 HB2 GLU 70 HB3 GLU 70 1.253 -1.458 10.529 549 HB3 GLU 70 HB2 GLU 70 2.391 -1.966 9.293 550 HG2 GLU 70 HG3 GLU 70 3.199 0.037 10.330 551 HG3 GLU 70 HG2 GLU 70 2.722 0.401 8.676 552 H ALA 71 HN ALA 71 1.576 -3.150 7.170 553 HA ALA 71 HA ALA 71 2.899 -1.824 5.063 554 HB1 ALA 71 HB1 ALA 71 1.610 -4.556 5.010 555 HB2 ALA 71 HB2 ALA 71 3.217 -4.206 5.622 556 HB3 ALA 71 HB3 ALA 71 2.861 -3.971 3.918 557 H TRP 72 HN TRP 72 -0.372 -3.149 5.217 558 HA TRP 72 HA TRP 72 -1.077 -2.449 2.598 559 HB2 TRP 72 HB2 TRP 72 -2.458 -4.072 3.668 560 HB3 TRP 72 HB1 TRP 72 -2.762 -3.019 5.045 561 HD1 TRP 72 HD1 TRP 72 -5.240 -2.385 4.995 562 HE1 TRP 72 HE1 TRP 72 -6.891 -1.516 3.224 563 HE3 TRP 72 HE3 TRP 72 -2.247 -2.686 0.862 564 HZ2 TRP 72 HZ2 TRP 72 -6.906 -1.015 0.476 565 HZ3 TRP 72 HZ3 TRP 72 -3.167 -1.995 -1.314 566 HH2 TRP 72 HH2 TRP 72 -5.452 -1.180 -1.505 567 H ARG 73 HN ARG 73 -1.469 -0.687 5.633 568 HA ARG 73 HA ARG 73 -2.836 1.449 4.462 569 HB2 ARG 73 HB2 ARG 73 -2.832 1.084 6.890 570 HB3 ARG 73 HB1 ARG 73 -1.124 1.508 6.952 571 HG2 ARG 73 HG2 ARG 73 -1.577 3.748 6.268 572 HG3 ARG 73 HG1 ARG 73 -3.270 3.365 5.961 573 HD2 ARG 73 HD2 ARG 73 -3.048 4.558 8.022 574 HD3 ARG 73 HD1 ARG 73 -3.579 2.913 8.355 575 HE ARG 73 HE ARG 73 -0.928 2.727 8.726 576 HH11 ARG 73 HH11 ARG 73 -3.238 5.204 9.815 577 HH12 ARG 73 HH12 ARG 73 -2.393 5.530 11.257 578 HH21 ARG 73 HH21 ARG 73 0.165 3.131 10.636 579 HH22 ARG 73 HH22 ARG 73 -0.350 4.279 11.784 580 H LEU 74 HN LEU 74 0.587 0.918 5.059 581 HA LEU 74 HA LEU 74 1.571 3.347 4.164 582 HB2 LEU 74 HB2 LEU 74 2.669 0.637 4.496 583 HB3 LEU 74 HB1 LEU 74 3.519 1.635 3.345 584 HG LEU 74 HG LEU 74 4.540 1.686 5.593 585 HD11 LEU 74 HD11 LEU 74 4.758 4.095 5.786 586 HD12 LEU 74 HD12 LEU 74 3.366 4.319 4.728 587 HD13 LEU 74 HD13 LEU 74 4.837 3.564 4.108 588 HD21 LEU 74 HD21 LEU 74 1.995 3.066 6.444 589 HD22 LEU 74 HD22 LEU 74 3.440 2.826 7.433 590 HD23 LEU 74 HD23 LEU 74 2.481 1.440 6.907 591 H ALA 75 HN ALA 75 0.831 0.437 2.280 592 HA ALA 75 HA ALA 75 1.756 1.545 -0.152 593 HB1 ALA 75 HB1 ALA 75 -0.241 -0.667 0.255 594 HB2 ALA 75 HB2 ALA 75 1.514 -0.849 0.065 595 HB3 ALA 75 HB3 ALA 75 0.539 -0.236 -1.263 596 H LEU 76 HN LEU 76 -1.545 1.319 1.219 597 HA LEU 76 HA LEU 76 -2.718 2.508 -1.037 598 HB2 LEU 76 HB2 LEU 76 -4.780 2.723 0.214 599 HB3 LEU 76 HB1 LEU 76 -4.053 1.180 0.573 600 HG LEU 76 HG LEU 76 -3.160 2.457 2.693 601 HD11 LEU 76 HD11 LEU 76 -5.640 4.040 2.022 602 HD12 LEU 76 HD12 LEU 76 -3.987 4.657 2.097 603 HD13 LEU 76 HD13 LEU 76 -4.782 4.081 3.562 604 HD21 LEU 76 HD21 LEU 76 -6.008 1.524 2.413 605 HD22 LEU 76 HD22 LEU 76 -5.145 1.738 3.937 606 HD23 LEU 76 HD23 LEU 76 -4.604 0.520 2.778 607 H SER 77 HN SER 77 -1.564 3.906 1.954 608 HA SER 77 HA SER 77 -2.317 6.517 1.187 609 HB2 SER 77 HB2 SER 77 -0.953 5.259 3.471 610 HB3 SER 77 HB1 SER 77 -0.819 7.039 3.320 611 HG SER 77 HG SER 77 -3.206 6.814 3.058 612 H THR 78 HN THR 78 0.107 4.649 0.016 613 HA THR 78 HA THR 78 1.716 7.010 -0.557 614 HB THR 78 HB THR 78 2.389 4.076 -1.022 615 HG1 THR 78 HG1 THR 78 2.645 4.526 1.089 616 HG21 THR 78 HG21 THR 78 4.638 4.893 -1.611 617 HG22 THR 78 HG22 THR 78 4.057 6.557 -1.473 618 HG23 THR 78 HG23 THR 78 3.423 5.507 -2.738 619 H PHE 79 HN PHE 79 -0.409 4.629 -1.988 620 HA PHE 79 HA PHE 79 0.015 5.024 -4.694 621 HB2 PHE 79 HB2 PHE 79 -2.604 4.613 -3.249 622 HB3 PHE 79 HB1 PHE 79 -2.454 4.527 -5.004 623 HD1 PHE 79 HD1 PHE 79 0.205 2.947 -4.940 624 HD2 PHE 79 HD2 PHE 79 -3.477 2.529 -2.865 625 HE1 PHE 79 HE1 PHE 79 0.605 0.546 -4.705 626 HE2 PHE 79 HE2 PHE 79 -3.068 0.125 -2.604 627 HZ PHE 79 HZ PHE 79 -1.021 -0.874 -3.529 628 H GLU 80 HN GLU 80 -1.887 6.867 -2.405 629 HA GLU 80 HA GLU 80 -2.988 8.731 -4.207 630 HB2 GLU 80 HB3 GLU 80 -3.490 10.048 -2.181 631 HB3 GLU 80 HB2 GLU 80 -3.975 8.368 -2.044 632 HG2 GLU 80 HG3 GLU 80 -2.077 7.858 -0.678 633 HG3 GLU 80 HG2 GLU 80 -1.423 9.475 -0.913 634 H ARG 81 HN ARG 81 0.089 8.599 -2.584 635 HA ARG 81 HA ARG 81 0.620 11.419 -2.708 636 HB2 ARG 81 HB2 ARG 81 2.615 9.219 -2.283 637 HB3 ARG 81 HB1 ARG 81 2.771 10.911 -1.827 638 HG2 ARG 81 HG2 ARG 81 0.773 8.979 -0.697 639 HG3 ARG 81 HG1 ARG 81 2.295 9.468 0.044 640 HD2 ARG 81 HD2 ARG 81 1.525 11.655 0.412 641 HD3 ARG 81 HD1 ARG 81 0.141 11.433 -0.672 642 HE ARG 81 HE ARG 81 -0.250 9.524 1.141 643 HH11 ARG 81 HH11 ARG 81 0.482 12.951 1.768 644 HH12 ARG 81 HH12 ARG 81 -0.621 13.094 3.046 645 HH21 ARG 81 HH21 ARG 81 -1.816 9.765 2.851 646 HH22 ARG 81 HH22 ARG 81 -1.958 11.226 3.704 647 H ILE 82 HN ILE 82 1.439 8.579 -4.549 648 HA ILE 82 HA ILE 82 3.184 10.079 -6.324 649 HB ILE 82 HB ILE 82 3.735 7.908 -7.326 650 HG12 ILE 82 HG12 ILE 82 1.760 6.728 -5.338 651 HG13 ILE 82 HG11 ILE 82 1.481 6.863 -7.068 652 HG21 ILE 82 HG21 ILE 82 4.972 8.631 -5.358 653 HG22 ILE 82 HG22 ILE 82 4.784 6.874 -5.340 654 HG23 ILE 82 HG23 ILE 82 3.770 7.883 -4.307 655 HD11 ILE 82 HD11 ILE 82 3.628 5.216 -5.743 656 HD12 ILE 82 HD12 ILE 82 3.347 5.343 -7.482 657 HD13 ILE 82 HD13 ILE 82 2.127 4.605 -6.442 658 H ASN 83 HN ASN 83 0.139 10.143 -6.111 659 HA ASN 83 HA ASN 83 -1.692 10.227 -7.324 660 HB2 ASN 83 HB3 ASN 83 0.280 11.384 -9.239 661 HB3 ASN 83 HB2 ASN 83 -1.416 11.225 -9.689 662 HD21 ASN 83 HD21 ASN 83 0.719 12.486 -7.339 663 HD22 ASN 83 HD22 ASN 83 -0.220 13.855 -6.839 664 H ARG 84 HN ARG 84 -1.704 8.185 -7.015 665 HA ARG 84 HA ARG 84 -2.559 6.740 -9.441 666 HB2 ARG 84 HB2 ARG 84 -0.232 6.063 -8.148 667 HB3 ARG 84 HB1 ARG 84 -1.392 5.174 -7.189 668 HG2 ARG 84 HG2 ARG 84 -0.908 4.871 -10.149 669 HG3 ARG 84 HG1 ARG 84 -0.420 3.761 -8.886 670 HD2 ARG 84 HD2 ARG 84 -2.810 3.413 -8.360 671 HD3 ARG 84 HD1 ARG 84 -3.234 4.435 -9.714 672 HE ARG 84 HE ARG 84 -1.427 2.237 -10.331 673 HH11 ARG 84 HH11 ARG 84 -4.800 3.351 -10.556 674 HH12 ARG 84 HH12 ARG 84 -5.248 2.118 -11.642 675 HH21 ARG 84 HH21 ARG 84 -2.058 0.630 -11.858 676 HH22 ARG 84 HH22 ARG 84 -3.680 0.565 -12.401 677 H LYS 85 HN LYS 85 -4.282 8.231 -8.056 678 HA LYS 85 HA LYS 85 -4.884 7.451 -5.463 679 HB2 LYS 85 HB2 LYS 85 -6.709 9.045 -5.741 680 HB3 LYS 85 HB1 LYS 85 -5.143 9.731 -6.153 681 HG2 LYS 85 HG2 LYS 85 -5.699 9.480 -8.531 682 HG3 LYS 85 HG1 LYS 85 -7.243 8.764 -8.092 683 HD2 LYS 85 HD2 LYS 85 -7.501 11.104 -8.722 684 HD3 LYS 85 HD1 LYS 85 -7.927 10.860 -7.034 685 HE2 LYS 85 HE2 LYS 85 -6.645 12.915 -7.369 686 HE3 LYS 85 HE1 LYS 85 -5.779 11.786 -6.337 687 HZ1 LYS 85 HZ1 LYS 85 -4.271 12.790 -7.942 688 HZ2 LYS 85 HZ2 LYS 85 -5.248 12.311 -9.231 689 HZ3 LYS 85 HZ3 LYS 85 -4.440 11.168 -8.326 690 H ASP 86 HN ASP 86 -5.795 6.397 -8.574 691 HA ASP 86 HA ASP 86 -8.338 5.601 -8.034 692 HB2 ASP 86 HB2 ASP 86 -7.529 5.647 -10.315 693 HB3 ASP 86 HB1 ASP 86 -6.432 4.308 -9.980 694 H LEU 87 HN LEU 87 -5.296 3.985 -7.327 695 HA LEU 87 HA LEU 87 -6.532 1.479 -6.497 696 HB2 LEU 87 HB2 LEU 87 -3.759 2.588 -6.070 697 HB3 LEU 87 HB1 LEU 87 -4.276 1.063 -5.400 698 HG LEU 87 HG LEU 87 -4.102 1.681 -8.354 699 HD11 LEU 87 HD11 LEU 87 -1.909 1.611 -7.226 700 HD12 LEU 87 HD12 LEU 87 -2.145 0.228 -8.295 701 HD13 LEU 87 HD13 LEU 87 -2.323 0.035 -6.550 702 HD21 LEU 87 HD21 LEU 87 -4.562 -0.904 -6.875 703 HD22 LEU 87 HD22 LEU 87 -4.429 -0.705 -8.623 704 HD23 LEU 87 HD23 LEU 87 -5.790 -0.003 -7.760 705 H TRP 88 HN TRP 88 -5.533 4.420 -5.123 706 HA TRP 88 HA TRP 88 -5.582 3.750 -2.398 707 HB2 TRP 88 HB2 TRP 88 -4.349 5.606 -3.195 708 HB3 TRP 88 HB1 TRP 88 -5.745 6.291 -3.962 709 HD1 TRP 88 HD1 TRP 88 -4.773 5.422 -0.291 710 HE1 TRP 88 HE1 TRP 88 -5.605 7.343 1.201 711 HE3 TRP 88 HE3 TRP 88 -7.036 8.278 -3.848 712 HZ2 TRP 88 HZ2 TRP 88 -7.012 9.749 0.905 713 HZ3 TRP 88 HZ3 TRP 88 -8.096 10.396 -3.167 714 HH2 TRP 88 HH2 TRP 88 -8.084 11.107 -0.832 715 H GLU 89 HN GLU 89 -7.990 5.180 -4.575 716 HA GLU 89 HA GLU 89 -10.014 5.684 -2.724 717 HB2 GLU 89 HB3 GLU 89 -10.229 4.931 -5.619 718 HB3 GLU 89 HB2 GLU 89 -11.554 5.535 -4.644 719 HG2 GLU 89 HG3 GLU 89 -10.338 7.640 -4.342 720 HG3 GLU 89 HG2 GLU 89 -9.042 7.010 -5.365 721 H ARG 90 HN ARG 90 -8.953 2.763 -4.127 722 HA ARG 90 HA ARG 90 -11.386 1.264 -3.672 723 HB2 ARG 90 HB2 ARG 90 -8.608 0.379 -4.193 724 HB3 ARG 90 HB1 ARG 90 -10.032 -0.653 -4.357 725 HG2 ARG 90 HG2 ARG 90 -10.728 0.840 -6.255 726 HG3 ARG 90 HG1 ARG 90 -9.195 1.694 -6.060 727 HD2 ARG 90 HD2 ARG 90 -8.094 -0.586 -6.286 728 HD3 ARG 90 HD1 ARG 90 -9.658 -1.153 -6.867 729 HE ARG 90 HE ARG 90 -8.946 1.091 -8.334 730 HH11 ARG 90 HH11 ARG 90 -8.006 -2.283 -7.900 731 HH12 ARG 90 HH12 ARG 90 -7.024 -2.352 -9.288 732 HH21 ARG 90 HH21 ARG 90 -7.650 0.989 -10.297 733 HH22 ARG 90 HH22 ARG 90 -6.822 -0.490 -10.683 734 H GLY 91 HN GLY 91 -8.533 2.136 -1.981 735 HA2 GLY 91 HA3 GLY 91 -8.521 -0.126 -0.212 736 HA3 GLY 91 HA2 GLY 91 -7.440 1.264 -0.130 737 H GLN 92 HN GLN 92 -8.515 3.304 0.647 738 HA GLN 92 HA GLN 92 -9.956 2.556 3.013 739 HB2 GLN 92 HB2 GLN 92 -9.692 4.973 3.680 740 HB3 GLN 92 HB1 GLN 92 -8.199 4.083 3.466 741 HG2 GLN 92 HG2 GLN 92 -7.898 5.132 1.278 742 HG3 GLN 92 HG1 GLN 92 -9.404 6.021 1.505 743 HE21 GLN 92 HE21 GLN 92 -9.474 7.628 3.043 744 HE22 GLN 92 HE22 GLN 92 -8.050 8.390 3.662 745 H ARG 93 HN ARG 93 -11.915 3.080 3.578 746 HA ARG 93 HA ARG 93 -13.662 4.197 1.476 747 HB2 ARG 93 HB2 ARG 93 -15.312 2.420 2.018 748 HB3 ARG 93 HB1 ARG 93 -13.850 1.850 1.229 749 HG2 ARG 93 HG2 ARG 93 -12.982 1.139 3.428 750 HG3 ARG 93 HG1 ARG 93 -14.507 1.640 4.162 751 HD2 ARG 93 HD2 ARG 93 -14.488 -0.750 3.736 752 HD3 ARG 93 HD1 ARG 93 -15.702 0.095 2.759 753 HE ARG 93 HE ARG 93 -13.637 0.020 1.092 754 HH11 ARG 93 HH11 ARG 93 -15.044 -2.600 3.012 755 HH12 ARG 93 HH12 ARG 93 -14.751 -3.799 1.836 756 HH21 ARG 93 HH21 ARG 93 -13.248 -1.632 -0.507 757 HH22 ARG 93 HH22 ARG 93 -13.668 -3.247 -0.155 758 H GLU 94 HN GLU 94 -12.913 3.854 4.783 759 HA GLU 94 HA GLU 94 -15.380 4.904 5.756 760 HB2 GLU 94 HB3 GLU 94 -14.070 5.128 7.935 761 HB3 GLU 94 HB2 GLU 94 -14.285 3.506 7.303 762 HG2 GLU 94 HG3 GLU 94 -11.775 5.083 6.787 763 HG3 GLU 94 HG2 GLU 94 -11.983 4.156 8.267 764 H ASP 95 HN ASP 95 -12.434 6.191 4.631 765 HA ASP 95 HA ASP 95 -13.429 8.905 4.762 766 HB2 ASP 95 HB2 ASP 95 -12.087 8.498 6.918 767 HB3 ASP 95 HB1 ASP 95 -10.746 8.120 5.822 768 H LEU 96 HN LEU 96 -12.160 10.132 3.161 769 HA LEU 96 HA LEU 96 -10.210 8.581 1.742 770 HB2 LEU 96 HB2 LEU 96 -12.287 7.847 0.858 771 HB3 LEU 96 HB1 LEU 96 -12.746 9.479 0.422 772 HG LEU 96 HG LEU 96 -10.764 9.528 -1.142 773 HD11 LEU 96 HD11 LEU 96 -10.680 6.569 -0.570 774 HD12 LEU 96 HD12 LEU 96 -9.470 7.756 -0.080 775 HD13 LEU 96 HD13 LEU 96 -9.738 7.434 -1.789 776 HD21 LEU 96 HD21 LEU 96 -13.020 9.114 -1.965 777 HD22 LEU 96 HD22 LEU 96 -12.817 7.386 -1.670 778 HD23 LEU 96 HD23 LEU 96 -11.829 8.196 -2.883 779 H VAL 97 HN VAL 97 -12.065 11.350 0.684 780 HA VAL 97 HA VAL 97 -9.524 12.798 0.731 781 HB VAL 97 HB VAL 97 -9.788 12.024 -1.544 782 HG11 VAL 97 HG11 VAL 97 -12.434 13.438 -1.613 783 HG12 VAL 97 HG12 VAL 97 -12.164 11.694 -1.666 784 HG13 VAL 97 HG13 VAL 97 -11.623 12.711 -3.001 785 HG21 VAL 97 HG21 VAL 97 -8.741 14.204 -1.279 786 HG22 VAL 97 HG22 VAL 97 -10.315 14.990 -1.349 787 HG23 VAL 97 HG23 VAL 97 -9.681 14.163 -2.772 788 H ARG 98 HN ARG 98 -9.642 14.380 2.014 789 HA ARG 98 HA ARG 98 -10.073 16.364 2.924 790 HB2 ARG 98 HB2 ARG 98 -10.290 17.182 0.633 791 HB3 ARG 98 HB1 ARG 98 -11.991 16.755 0.617 792 HG2 ARG 98 HG2 ARG 98 -12.453 18.435 2.301 793 HG3 ARG 98 HG1 ARG 98 -10.732 18.807 2.428 794 HD2 ARG 98 HD2 ARG 98 -10.711 19.482 0.074 795 HD3 ARG 98 HD1 ARG 98 -12.431 19.130 -0.035 796 HE ARG 98 HE ARG 98 -12.322 20.893 1.983 797 HH11 ARG 98 HH11 ARG 98 -10.982 20.966 -1.274 798 HH12 ARG 98 HH12 ARG 98 -11.068 22.648 -1.468 799 HH21 ARG 98 HH21 ARG 98 -12.483 23.203 1.754 800 HH22 ARG 98 HH22 ARG 98 -11.982 23.971 0.318 801 H ASP 99 HN ASP 99 -10.882 16.330 4.802 802 HA ASP 99 HA ASP 99 -13.660 16.508 5.344 803 HB2 ASP 99 HB2 ASP 99 -13.556 14.072 4.996 804 HB3 ASP 99 HB1 ASP 99 -12.274 13.940 6.196 805 H THR 100 HN THR 100 -10.937 15.055 7.155 806 HA THR 100 HA THR 100 -11.266 16.864 9.323 807 HB THR 100 HB THR 100 -8.720 15.343 8.701 808 HG1 THR 100 HG1 THR 100 -11.153 14.330 9.857 809 HG21 THR 100 HG21 THR 100 -8.690 16.882 10.609 810 HG22 THR 100 HG22 THR 100 -8.591 15.206 11.153 811 HG23 THR 100 HG23 THR 100 -10.114 16.083 11.278 812 H VAL 101 HN VAL 101 -8.981 16.525 6.654 813 HA VAL 101 HA VAL 101 -7.979 19.201 7.139 814 HB VAL 101 HB VAL 101 -6.332 18.710 5.326 815 HG11 VAL 101 HG11 VAL 101 -5.008 17.061 6.565 816 HG12 VAL 101 HG12 VAL 101 -6.431 16.644 7.515 817 HG13 VAL 101 HG13 VAL 101 -5.731 18.262 7.635 818 HG21 VAL 101 HG21 VAL 101 -6.101 16.412 4.470 819 HG22 VAL 101 HG22 VAL 101 -7.656 17.110 4.016 820 HG23 VAL 101 HG23 VAL 101 -7.565 15.945 5.336 821 H GLU 102 HN GLU 102 -8.354 20.863 5.796 822 HA GLU 102 HA GLU 102 -10.350 20.433 3.693 823 HB2 GLU 102 HB3 GLU 102 -9.794 22.931 5.305 824 HB3 GLU 102 HB2 GLU 102 -11.076 22.729 4.116 825 HG2 GLU 102 HG3 GLU 102 -12.092 21.003 5.539 826 HG3 GLU 102 HG2 GLU 102 -10.828 21.265 6.736 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 11.000 -22.517 11.041 2 H2 GLY 1 HT2 GLY 1 10.881 -22.811 9.391 3 H3 GLY 1 HT3 GLY 1 11.536 -23.989 10.398 4 HA2 GLY 1 HA2 GLY 1 9.295 -24.561 9.744 5 HA3 GLY 1 HA3 GLY 1 9.376 -24.252 11.477 6 H HIS 2 HN HIS 2 7.032 -23.942 11.185 7 HA HIS 2 HA HIS 2 5.173 -22.645 11.175 8 HB2 HIS 2 HB2 HIS 2 7.163 -20.365 11.178 9 HB3 HIS 2 HB1 HIS 2 5.434 -20.164 11.413 10 HD1 HIS 2 HD1 HIS 2 7.697 -19.400 13.520 11 HD2 HIS 2 HD2 HIS 2 5.305 -22.790 13.574 12 HE1 HIS 2 HE1 HIS 2 7.611 -20.155 15.916 13 H MET 3 HN MET 3 6.256 -23.574 8.731 14 HA MET 3 HA MET 3 6.224 -21.544 6.744 15 HB2 MET 3 HB2 MET 3 5.989 -24.544 6.474 16 HB3 MET 3 HB1 MET 3 6.118 -23.445 5.115 17 HG2 MET 3 HG2 MET 3 8.171 -23.838 7.281 18 HG3 MET 3 HG1 MET 3 8.257 -24.477 5.644 19 HE1 MET 3 HE1 MET 3 7.132 -21.970 3.918 20 HE2 MET 3 HE2 MET 3 8.523 -22.954 3.468 21 HE3 MET 3 HE3 MET 3 8.665 -21.197 3.508 22 H LEU 4 HN LEU 4 4.586 -20.451 6.168 23 HA LEU 4 HA LEU 4 2.557 -19.756 5.606 24 HB2 LEU 4 HB2 LEU 4 2.147 -22.646 4.828 25 HB3 LEU 4 HB1 LEU 4 0.916 -21.431 4.586 26 HG LEU 4 HG LEU 4 1.988 -21.807 2.508 27 HD11 LEU 4 HD11 LEU 4 2.859 -19.631 1.917 28 HD12 LEU 4 HD12 LEU 4 3.005 -19.221 3.624 29 HD13 LEU 4 HD13 LEU 4 1.412 -19.520 2.923 30 HD21 LEU 4 HD21 LEU 4 4.636 -21.259 3.856 31 HD22 LEU 4 HD22 LEU 4 4.402 -21.498 2.126 32 HD23 LEU 4 HD23 LEU 4 4.083 -22.819 3.251 33 H ARG 5 HN ARG 5 2.095 -19.092 7.601 34 HA ARG 5 HA ARG 5 0.485 -20.775 9.349 35 HB2 ARG 5 HB2 ARG 5 2.166 -19.322 10.384 36 HB3 ARG 5 HB1 ARG 5 1.452 -17.912 9.619 37 HG2 ARG 5 HG2 ARG 5 0.828 -17.975 11.952 38 HG3 ARG 5 HG1 ARG 5 -0.595 -18.243 10.948 39 HD2 ARG 5 HD2 ARG 5 -0.621 -19.765 12.829 40 HD3 ARG 5 HD1 ARG 5 -0.361 -20.678 11.344 41 HE ARG 5 HE ARG 5 2.048 -19.898 12.670 42 HH11 ARG 5 HH11 ARG 5 -0.468 -22.401 12.593 43 HH12 ARG 5 HH12 ARG 5 0.523 -23.616 13.242 44 HH21 ARG 5 HH21 ARG 5 3.361 -21.520 13.624 45 HH22 ARG 5 HH22 ARG 5 2.772 -23.108 13.841 46 H THR 6 HN THR 6 0.258 -18.193 7.090 47 HA THR 6 HA THR 6 -1.381 -17.203 5.997 48 HB THR 6 HB THR 6 -3.349 -18.887 7.599 49 HG1 THR 6 HG1 THR 6 -3.251 -19.609 5.042 50 HG21 THR 6 HG21 THR 6 -4.965 -18.313 5.825 51 HG22 THR 6 HG22 THR 6 -3.752 -17.298 5.047 52 HG23 THR 6 HG23 THR 6 -4.380 -16.858 6.632 53 H ALA 7 HN ALA 7 -1.770 -15.163 6.336 54 HA ALA 7 HA ALA 7 -1.778 -14.081 8.960 55 HB1 ALA 7 HB1 ALA 7 -0.732 -12.916 7.074 56 HB2 ALA 7 HB2 ALA 7 -1.975 -11.918 7.831 57 HB3 ALA 7 HB3 ALA 7 -2.311 -12.740 6.309 58 H GLY 8 HN GLY 8 -3.425 -13.214 10.107 59 HA2 GLY 8 HA3 GLY 8 -6.123 -14.029 9.384 60 HA3 GLY 8 HA2 GLY 8 -5.621 -13.266 10.894 61 H ARG 9 HN ARG 9 -4.342 -11.096 10.033 62 HA ARG 9 HA ARG 9 -6.520 -9.445 9.138 63 HB2 ARG 9 HB2 ARG 9 -3.738 -8.850 10.141 64 HB3 ARG 9 HB1 ARG 9 -4.774 -7.595 9.475 65 HG2 ARG 9 HG2 ARG 9 -5.550 -9.348 11.794 66 HG3 ARG 9 HG1 ARG 9 -4.809 -7.750 11.955 67 HD2 ARG 9 HD2 ARG 9 -6.622 -6.731 10.780 68 HD3 ARG 9 HD1 ARG 9 -7.335 -8.290 10.423 69 HE ARG 9 HE ARG 9 -7.614 -8.522 12.889 70 HH11 ARG 9 HH11 ARG 9 -7.230 -5.209 11.672 71 HH12 ARG 9 HH12 ARG 9 -8.435 -4.556 12.677 72 HH21 ARG 9 HH21 ARG 9 -9.253 -7.586 14.333 73 HH22 ARG 9 HH22 ARG 9 -9.575 -5.919 14.246 74 H ASP 10 HN ASP 10 -6.880 -8.960 7.121 75 HA ASP 10 HA ASP 10 -4.922 -9.807 5.299 76 HB2 ASP 10 HB2 ASP 10 -7.094 -10.391 4.559 77 HB3 ASP 10 HB1 ASP 10 -7.670 -8.738 4.728 78 H GLY 11 HN GLY 11 -3.343 -8.629 5.485 79 HA2 GLY 11 HA3 GLY 11 -3.525 -5.943 4.334 80 HA3 GLY 11 HA2 GLY 11 -2.216 -6.474 5.402 81 H LEU 12 HN LEU 12 -1.443 -8.766 4.581 82 HA LEU 12 HA LEU 12 0.284 -8.227 2.478 83 HB2 LEU 12 HB2 LEU 12 0.731 -9.832 4.260 84 HB3 LEU 12 HB1 LEU 12 -0.513 -10.883 3.635 85 HG LEU 12 HG LEU 12 0.834 -11.189 1.560 86 HD11 LEU 12 HD11 LEU 12 3.198 -10.539 1.576 87 HD12 LEU 12 HD12 LEU 12 2.933 -9.640 3.067 88 HD13 LEU 12 HD13 LEU 12 2.118 -9.147 1.583 89 HD21 LEU 12 HD21 LEU 12 0.939 -12.826 3.343 90 HD22 LEU 12 HD22 LEU 12 2.207 -11.899 4.150 91 HD23 LEU 12 HD23 LEU 12 2.521 -12.652 2.584 92 H CYS 13 HN CYS 13 -2.779 -10.077 2.386 93 HA CYS 13 HA CYS 13 -2.269 -11.137 -0.183 94 HB2 CYS 13 HB2 CYS 13 -3.787 -12.253 1.393 95 HB3 CYS 13 HB1 CYS 13 -4.883 -10.878 1.320 96 HG CYS 13 HG CYS 13 -5.673 -11.282 -1.277 97 H ARG 14 HN ARG 14 -4.478 -8.576 0.931 98 HA ARG 14 HA ARG 14 -5.114 -7.780 -1.700 99 HB2 ARG 14 HB2 ARG 14 -6.097 -5.760 -0.755 100 HB3 ARG 14 HB1 ARG 14 -6.561 -7.168 0.180 101 HG2 ARG 14 HG2 ARG 14 -4.895 -6.567 1.877 102 HG3 ARG 14 HG1 ARG 14 -4.477 -5.134 0.937 103 HD2 ARG 14 HD2 ARG 14 -6.035 -4.550 2.705 104 HD3 ARG 14 HD1 ARG 14 -6.802 -4.349 1.128 105 HE ARG 14 HE ARG 14 -7.224 -6.926 2.285 106 HH11 ARG 14 HH11 ARG 14 -8.606 -3.666 1.974 107 HH12 ARG 14 HH12 ARG 14 -10.091 -4.160 2.682 108 HH21 ARG 14 HH21 ARG 14 -9.232 -7.509 3.141 109 HH22 ARG 14 HH22 ARG 14 -10.465 -6.319 3.326 110 H LEU 15 HN LEU 15 -2.522 -6.870 0.435 111 HA LEU 15 HA LEU 15 -1.521 -4.597 -0.757 112 HB2 LEU 15 HB2 LEU 15 -0.808 -5.533 1.370 113 HB3 LEU 15 HB1 LEU 15 -0.110 -6.901 0.551 114 HG LEU 15 HG LEU 15 1.636 -5.494 -0.374 115 HD11 LEU 15 HD11 LEU 15 0.308 -3.446 -0.624 116 HD12 LEU 15 HD12 LEU 15 1.803 -3.175 0.276 117 HD13 LEU 15 HD13 LEU 15 0.269 -3.282 1.132 118 HD21 LEU 15 HD21 LEU 15 1.167 -5.100 2.563 119 HD22 LEU 15 HD22 LEU 15 2.702 -4.871 1.733 120 HD23 LEU 15 HD23 LEU 15 1.970 -6.475 1.805 121 H SER 16 HN SER 16 -0.591 -7.988 -1.367 122 HA SER 16 HA SER 16 1.173 -7.355 -3.474 123 HB2 SER 16 HB2 SER 16 1.286 -9.454 -2.133 124 HB3 SER 16 HB1 SER 16 -0.212 -9.989 -2.883 125 HG SER 16 HG SER 16 1.206 -9.472 -4.917 126 H THR 17 HN THR 17 -2.244 -7.859 -3.308 127 HA THR 17 HA THR 17 -2.683 -8.377 -6.058 128 HB THR 17 HB THR 17 -4.562 -7.446 -3.872 129 HG1 THR 17 HG1 THR 17 -3.908 -9.452 -3.310 130 HG21 THR 17 HG21 THR 17 -5.548 -6.971 -6.032 131 HG22 THR 17 HG22 THR 17 -6.341 -8.396 -5.349 132 HG23 THR 17 HG23 THR 17 -5.131 -8.576 -6.615 133 H TYR 18 HN TYR 18 -3.001 -5.398 -4.064 134 HA TYR 18 HA TYR 18 -3.782 -3.814 -6.308 135 HB2 TYR 18 HB2 TYR 18 -2.897 -3.053 -3.528 136 HB3 TYR 18 HB1 TYR 18 -3.246 -1.847 -4.753 137 HD1 TYR 18 HD2 TYR 18 -4.762 -4.641 -2.824 138 HD2 TYR 18 HD1 TYR 18 -5.483 -1.156 -5.140 139 HE1 TYR 18 HE2 TYR 18 -7.121 -4.700 -2.163 140 HE2 TYR 18 HE1 TYR 18 -7.850 -1.206 -4.477 141 HH TYR 18 HH TYR 18 -9.498 -2.768 -3.651 142 H LEU 19 HN LEU 19 -0.694 -4.539 -4.809 143 HA LEU 19 HA LEU 19 0.730 -2.502 -6.151 144 HB2 LEU 19 HB2 LEU 19 1.672 -5.051 -4.857 145 HB3 LEU 19 HB1 LEU 19 2.773 -3.893 -5.571 146 HG LEU 19 HG LEU 19 0.914 -3.281 -3.237 147 HD11 LEU 19 HD11 LEU 19 2.927 -3.273 -1.899 148 HD12 LEU 19 HD12 LEU 19 3.873 -3.818 -3.288 149 HD13 LEU 19 HD13 LEU 19 2.622 -4.861 -2.596 150 HD21 LEU 19 HD21 LEU 19 1.443 -1.316 -4.619 151 HD22 LEU 19 HD22 LEU 19 3.161 -1.673 -4.464 152 HD23 LEU 19 HD23 LEU 19 2.219 -1.236 -3.045 153 H GLU 20 HN GLU 20 -0.389 -5.568 -7.242 154 HA GLU 20 HA GLU 20 1.327 -5.982 -9.437 155 HB2 GLU 20 HB3 GLU 20 -1.534 -6.743 -8.899 156 HB3 GLU 20 HB2 GLU 20 -0.750 -7.136 -10.421 157 HG2 GLU 20 HG3 GLU 20 0.307 -7.998 -7.741 158 HG3 GLU 20 HG2 GLU 20 -0.793 -8.967 -8.723 159 H GLU 21 HN GLU 21 -1.288 -3.761 -8.917 160 HA GLU 21 HA GLU 21 -1.742 -3.243 -11.716 161 HB2 GLU 21 HB3 GLU 21 -2.892 -2.071 -9.209 162 HB3 GLU 21 HB2 GLU 21 -3.302 -1.473 -10.811 163 HG2 GLU 21 HG3 GLU 21 -3.726 -4.284 -9.823 164 HG3 GLU 21 HG2 GLU 21 -4.969 -3.037 -9.958 165 H LEU 22 HN LEU 22 0.712 -2.328 -9.814 166 HA LEU 22 HA LEU 22 0.793 0.421 -10.817 167 HB2 LEU 22 HB2 LEU 22 2.537 -1.012 -8.823 168 HB3 LEU 22 HB1 LEU 22 2.823 0.622 -9.362 169 HG LEU 22 HG LEU 22 0.455 -0.355 -7.771 170 HD11 LEU 22 HD11 LEU 22 1.405 1.102 -6.043 171 HD12 LEU 22 HD12 LEU 22 2.806 1.399 -7.072 172 HD13 LEU 22 HD13 LEU 22 2.474 -0.229 -6.468 173 HD21 LEU 22 HD21 LEU 22 -0.144 2.018 -7.608 174 HD22 LEU 22 HD22 LEU 22 -0.249 1.427 -9.262 175 HD23 LEU 22 HD23 LEU 22 1.125 2.421 -8.764 176 H GLU 23 HN GLU 23 2.367 1.141 -12.163 177 HA GLU 23 HA GLU 23 3.824 -0.725 -13.815 178 HB2 GLU 23 HB3 GLU 23 4.240 2.251 -13.450 179 HB3 GLU 23 HB2 GLU 23 4.919 1.270 -14.730 180 HG2 GLU 23 HG3 GLU 23 2.014 1.814 -14.292 181 HG3 GLU 23 HG2 GLU 23 3.058 2.625 -15.460 182 H ALA 24 HN ALA 24 6.222 -0.596 -14.014 183 HA ALA 24 HA ALA 24 7.547 -1.029 -11.596 184 HB1 ALA 24 HB1 ALA 24 8.745 -0.189 -14.236 185 HB2 ALA 24 HB2 ALA 24 8.389 -1.845 -13.744 186 HB3 ALA 24 HB3 ALA 24 9.620 -0.918 -12.889 187 H VAL 25 HN VAL 25 7.228 1.871 -13.562 188 HA VAL 25 HA VAL 25 8.943 3.491 -12.013 189 HB VAL 25 HB VAL 25 8.300 4.114 -14.317 190 HG11 VAL 25 HG11 VAL 25 6.134 5.111 -14.813 191 HG12 VAL 25 HG12 VAL 25 5.597 4.736 -13.176 192 HG13 VAL 25 HG13 VAL 25 5.972 3.426 -14.300 193 HG21 VAL 25 HG21 VAL 25 7.914 6.510 -13.967 194 HG22 VAL 25 HG22 VAL 25 9.135 5.873 -12.856 195 HG23 VAL 25 HG23 VAL 25 7.491 6.185 -12.289 196 H GLU 26 HN GLU 26 5.542 2.687 -11.648 197 HA GLU 26 HA GLU 26 5.030 4.698 -9.671 198 HB2 GLU 26 HB3 GLU 26 3.531 2.176 -10.370 199 HB3 GLU 26 HB2 GLU 26 2.946 3.400 -9.242 200 HG2 GLU 26 HG3 GLU 26 2.909 5.020 -11.069 201 HG3 GLU 26 HG2 GLU 26 3.478 3.779 -12.181 202 H LEU 27 HN LEU 27 5.829 1.289 -9.696 203 HA LEU 27 HA LEU 27 5.832 0.856 -6.950 204 HB2 LEU 27 HB2 LEU 27 7.482 -0.407 -9.136 205 HB3 LEU 27 HB1 LEU 27 7.466 -0.989 -7.486 206 HG LEU 27 HG LEU 27 4.996 -0.862 -9.221 207 HD11 LEU 27 HD11 LEU 27 5.288 -3.293 -9.442 208 HD12 LEU 27 HD12 LEU 27 6.898 -3.149 -8.714 209 HD13 LEU 27 HD13 LEU 27 6.533 -2.360 -10.253 210 HD21 LEU 27 HD21 LEU 27 5.595 -2.300 -6.633 211 HD22 LEU 27 HD22 LEU 27 4.096 -2.408 -7.551 212 HD23 LEU 27 HD23 LEU 27 4.567 -0.877 -6.814 213 H LYS 28 HN LYS 28 8.335 1.880 -9.168 214 HA LYS 28 HA LYS 28 10.525 2.224 -7.541 215 HB2 LYS 28 HB2 LYS 28 10.506 2.439 -9.989 216 HB3 LYS 28 HB1 LYS 28 9.579 3.919 -9.850 217 HG2 LYS 28 HG2 LYS 28 11.456 5.003 -8.761 218 HG3 LYS 28 HG1 LYS 28 12.382 3.501 -8.868 219 HD2 LYS 28 HD2 LYS 28 12.126 3.579 -11.335 220 HD3 LYS 28 HD1 LYS 28 11.326 5.142 -11.173 221 HE2 LYS 28 HE2 LYS 28 14.155 4.482 -10.357 222 HE3 LYS 28 HE1 LYS 28 13.678 5.409 -11.771 223 HZ1 LYS 28 HZ1 LYS 28 12.710 7.060 -10.296 224 HZ2 LYS 28 HZ2 LYS 28 14.354 6.874 -10.006 225 HZ3 LYS 28 HZ3 LYS 28 13.246 6.203 -8.937 226 H LYS 29 HN LYS 29 7.883 4.488 -8.212 227 HA LYS 29 HA LYS 29 8.915 6.608 -6.664 228 HB2 LYS 29 HB2 LYS 29 6.067 6.042 -7.462 229 HB3 LYS 29 HB1 LYS 29 6.594 7.508 -6.672 230 HG2 LYS 29 HG2 LYS 29 8.061 7.946 -8.684 231 HG3 LYS 29 HG1 LYS 29 7.278 6.559 -9.438 232 HD2 LYS 29 HD2 LYS 29 5.110 7.564 -9.218 233 HD3 LYS 29 HD1 LYS 29 5.784 8.923 -8.326 234 HE2 LYS 29 HE2 LYS 29 7.082 9.548 -10.319 235 HE3 LYS 29 HE1 LYS 29 6.332 8.221 -11.210 236 HZ1 LYS 29 HZ1 LYS 29 4.893 10.522 -9.993 237 HZ2 LYS 29 HZ2 LYS 29 4.173 9.244 -10.810 238 HZ3 LYS 29 HZ3 LYS 29 5.159 10.294 -11.645 239 H PHE 30 HN PHE 30 6.533 4.092 -5.903 240 HA PHE 30 HA PHE 30 5.981 5.161 -3.343 241 HB2 PHE 30 HB2 PHE 30 4.222 3.751 -3.403 242 HB3 PHE 30 HB1 PHE 30 4.797 3.226 -4.968 243 HD1 PHE 30 HD2 PHE 30 6.126 1.167 -5.123 244 HD2 PHE 30 HD1 PHE 30 4.253 2.292 -1.481 245 HE1 PHE 30 HE2 PHE 30 6.314 -1.151 -4.305 246 HE2 PHE 30 HE1 PHE 30 4.423 0.016 -0.683 247 HZ PHE 30 HZ PHE 30 5.448 -1.722 -2.072 248 H LYS 31 HN LYS 31 8.260 2.732 -4.417 249 HA LYS 31 HA LYS 31 8.977 1.922 -1.741 250 HB2 LYS 31 HB2 LYS 31 10.742 0.643 -2.760 251 HB3 LYS 31 HB1 LYS 31 9.280 0.428 -3.713 252 HG2 LYS 31 HG2 LYS 31 10.104 2.031 -5.354 253 HG3 LYS 31 HG1 LYS 31 11.556 2.282 -4.392 254 HD2 LYS 31 HD2 LYS 31 12.064 0.800 -6.197 255 HD3 LYS 31 HD1 LYS 31 12.106 -0.106 -4.688 256 HE2 LYS 31 HE2 LYS 31 9.875 -0.991 -5.149 257 HE3 LYS 31 HE1 LYS 31 9.817 -0.071 -6.658 258 HZ1 LYS 31 HZ1 LYS 31 11.745 -1.315 -7.406 259 HZ2 LYS 31 HZ2 LYS 31 10.460 -2.337 -7.078 260 HZ3 LYS 31 HZ3 LYS 31 11.739 -2.210 -5.972 261 H LEU 32 HN LEU 32 10.267 4.326 -3.973 262 HA LEU 32 HA LEU 32 12.383 4.792 -2.108 263 HB2 LEU 32 HB2 LEU 32 13.076 6.635 -3.462 264 HB3 LEU 32 HB1 LEU 32 12.683 5.307 -4.517 265 HG LEU 32 HG LEU 32 10.412 6.586 -4.854 266 HD11 LEU 32 HD11 LEU 32 12.153 8.842 -3.889 267 HD12 LEU 32 HD12 LEU 32 10.707 8.225 -3.092 268 HD13 LEU 32 HD13 LEU 32 10.580 8.994 -4.675 269 HD21 LEU 32 HD21 LEU 32 13.025 7.579 -5.918 270 HD22 LEU 32 HD22 LEU 32 11.437 7.867 -6.650 271 HD23 LEU 32 HD23 LEU 32 12.092 6.223 -6.556 272 H TYR 33 HN TYR 33 9.188 5.988 -2.636 273 HA TYR 33 HA TYR 33 9.433 8.189 -0.959 274 HB2 TYR 33 HB2 TYR 33 7.453 7.942 -2.419 275 HB3 TYR 33 HB1 TYR 33 6.913 6.568 -1.452 276 HD1 TYR 33 HD1 TYR 33 7.327 10.188 -1.536 277 HD2 TYR 33 HD2 TYR 33 6.008 6.892 0.777 278 HE1 TYR 33 HE1 TYR 33 6.267 11.740 0.072 279 HE2 TYR 33 HE2 TYR 33 4.950 8.376 2.373 280 HH TYR 33 HH TYR 33 5.473 10.884 3.086 281 H LEU 34 HN LEU 34 7.853 5.085 -0.128 282 HA LEU 34 HA LEU 34 8.018 5.823 2.637 283 HB2 LEU 34 HB2 LEU 34 7.010 3.599 3.092 284 HB3 LEU 34 HB1 LEU 34 6.073 4.655 2.070 285 HG LEU 34 HG LEU 34 6.867 3.284 0.099 286 HD11 LEU 34 HD11 LEU 34 8.809 2.214 1.099 287 HD12 LEU 34 HD12 LEU 34 7.647 1.013 0.524 288 HD13 LEU 34 HD13 LEU 34 7.768 1.372 2.248 289 HD21 LEU 34 HD21 LEU 34 4.670 3.098 1.083 290 HD22 LEU 34 HD22 LEU 34 5.279 1.898 2.228 291 HD23 LEU 34 HD23 LEU 34 5.256 1.537 0.500 292 H GLY 35 HN GLY 35 10.103 4.200 0.547 293 HA2 GLY 35 HA3 GLY 35 11.312 2.741 2.615 294 HA3 GLY 35 HA2 GLY 35 11.996 2.951 0.991 295 H THR 36 HN THR 36 11.944 5.787 1.047 296 HA THR 36 HA THR 36 14.202 6.185 2.892 297 HB THR 36 HB THR 36 14.878 8.141 1.597 298 HG1 THR 36 HG1 THR 36 12.601 7.702 -0.056 299 HG21 THR 36 HG21 THR 36 15.301 7.141 -0.613 300 HG22 THR 36 HG22 THR 36 14.107 5.902 -0.285 301 HG23 THR 36 HG23 THR 36 15.588 5.971 0.678 302 H ALA 37 HN ALA 37 11.016 6.631 2.934 303 HA ALA 37 HA ALA 37 10.505 9.221 3.810 304 HB1 ALA 37 HB1 ALA 37 8.435 8.368 4.747 305 HB2 ALA 37 HB2 ALA 37 9.035 6.710 4.583 306 HB3 ALA 37 HB3 ALA 37 8.748 7.698 3.149 307 H THR 38 HN THR 38 11.141 10.261 5.449 308 HA THR 38 HA THR 38 12.244 8.836 7.690 309 HB THR 38 HB THR 38 12.334 11.805 7.066 310 HG1 THR 38 HG1 THR 38 13.442 10.696 5.470 311 HG21 THR 38 HG21 THR 38 12.793 11.284 9.448 312 HG22 THR 38 HG22 THR 38 14.255 11.831 8.626 313 HG23 THR 38 HG23 THR 38 14.015 10.113 8.951 314 H GLU 39 HN GLU 39 9.262 10.230 6.897 315 HA GLU 39 HA GLU 39 8.519 11.053 9.545 316 HB2 GLU 39 HB3 GLU 39 6.189 11.118 8.735 317 HB3 GLU 39 HB2 GLU 39 7.262 11.974 7.649 318 HG2 GLU 39 HG3 GLU 39 6.597 9.130 7.051 319 HG3 GLU 39 HG2 GLU 39 5.374 10.360 6.762 320 H LEU 40 HN LEU 40 9.071 8.143 8.175 321 HA LEU 40 HA LEU 40 7.219 6.552 9.776 322 HB2 LEU 40 HB2 LEU 40 9.499 5.759 8.018 323 HB3 LEU 40 HB1 LEU 40 8.294 4.719 8.745 324 HG LEU 40 HG LEU 40 7.824 6.805 6.595 325 HD11 LEU 40 HD11 LEU 40 8.999 4.871 5.776 326 HD12 LEU 40 HD12 LEU 40 7.360 4.947 5.135 327 HD13 LEU 40 HD13 LEU 40 7.747 3.814 6.425 328 HD21 LEU 40 HD21 LEU 40 5.844 6.600 8.006 329 HD22 LEU 40 HD22 LEU 40 5.873 4.844 7.789 330 HD23 LEU 40 HD23 LEU 40 5.588 5.904 6.404 331 H GLY 41 HN GLY 41 9.753 8.183 10.391 332 HA2 GLY 41 HA3 GLY 41 10.681 8.008 12.692 333 HA3 GLY 41 HA2 GLY 41 10.930 6.296 12.333 334 H GLU 42 HN GLU 42 12.424 5.724 10.741 335 HA GLU 42 HA GLU 42 14.404 7.810 10.023 336 HB2 GLU 42 HB3 GLU 42 14.971 4.955 10.819 337 HB3 GLU 42 HB2 GLU 42 16.161 6.169 10.384 338 HG2 GLU 42 HG3 GLU 42 15.708 7.417 12.361 339 HG3 GLU 42 HG2 GLU 42 14.325 6.391 12.747 340 H GLY 43 HN GLY 43 12.194 5.632 8.958 341 HA2 GLY 43 HA3 GLY 43 11.890 4.985 6.697 342 HA3 GLY 43 HA2 GLY 43 13.647 5.042 6.483 343 H LYS 44 HN LYS 44 11.045 3.040 7.073 344 HA LYS 44 HA LYS 44 12.436 1.165 8.763 345 HB2 LYS 44 HB2 LYS 44 9.730 0.988 7.428 346 HB3 LYS 44 HB1 LYS 44 10.369 -0.188 8.567 347 HG2 LYS 44 HG2 LYS 44 9.911 2.722 9.209 348 HG3 LYS 44 HG1 LYS 44 8.785 1.417 9.592 349 HD2 LYS 44 HD2 LYS 44 10.415 0.366 11.028 350 HD3 LYS 44 HD1 LYS 44 11.643 1.544 10.573 351 HE2 LYS 44 HE2 LYS 44 10.665 1.992 12.770 352 HE3 LYS 44 HE1 LYS 44 10.371 3.306 11.635 353 HZ1 LYS 44 HZ1 LYS 44 8.438 2.769 12.973 354 HZ2 LYS 44 HZ2 LYS 44 8.394 1.201 12.356 355 HZ3 LYS 44 HZ3 LYS 44 8.126 2.519 11.346 356 H ILE 45 HN ILE 45 12.364 1.719 5.495 357 HA ILE 45 HA ILE 45 12.911 -1.049 4.769 358 HB ILE 45 HB ILE 45 12.786 1.455 3.067 359 HG12 ILE 45 HG12 ILE 45 10.575 0.778 4.023 360 HG13 ILE 45 HG11 ILE 45 10.630 0.684 2.269 361 HG21 ILE 45 HG21 ILE 45 13.016 -1.428 2.244 362 HG22 ILE 45 HG22 ILE 45 14.241 -0.172 2.055 363 HG23 ILE 45 HG23 ILE 45 12.719 -0.076 1.160 364 HD11 ILE 45 HD11 ILE 45 10.946 -1.717 2.413 365 HD12 ILE 45 HD12 ILE 45 9.447 -1.207 3.196 366 HD13 ILE 45 HD13 ILE 45 10.859 -1.632 4.177 367 HA PRO 46 HA PRO 46 17.280 -0.165 5.289 368 HB2 PRO 46 HB2 PRO 46 18.247 -2.363 3.965 369 HB3 PRO 46 HB1 PRO 46 17.690 -2.398 5.637 370 HG2 PRO 46 HG2 PRO 46 16.294 -3.259 3.152 371 HG3 PRO 46 HG1 PRO 46 16.264 -3.985 4.769 372 HD2 PRO 46 HD2 PRO 46 14.257 -2.436 3.777 373 HD3 PRO 46 HD1 PRO 46 14.629 -2.550 5.511 374 H TRP 47 HN TRP 47 18.318 1.269 4.183 375 HA TRP 47 HA TRP 47 18.707 2.735 2.618 376 HB2 TRP 47 HB2 TRP 47 20.654 1.923 1.245 377 HB3 TRP 47 HB1 TRP 47 20.799 1.819 2.986 378 HD1 TRP 47 HD1 TRP 47 20.734 -0.322 -0.145 379 HE1 TRP 47 HE1 TRP 47 21.310 -2.735 0.464 380 HE3 TRP 47 HE3 TRP 47 20.645 0.088 4.946 381 HZ2 TRP 47 HZ2 TRP 47 21.691 -4.280 2.792 382 HZ3 TRP 47 HZ3 TRP 47 21.134 -1.908 6.289 383 HH2 TRP 47 HH2 TRP 47 21.643 -4.047 5.229 384 H GLY 48 HN GLY 48 18.708 0.012 0.540 385 HA2 GLY 48 HA3 GLY 48 16.698 1.174 -1.200 386 HA3 GLY 48 HA2 GLY 48 18.316 1.137 -1.890 387 H SER 49 HN SER 49 17.197 -1.360 0.321 388 HA SER 49 HA SER 49 17.849 -3.381 -1.542 389 HB2 SER 49 HB2 SER 49 16.231 -3.611 0.993 390 HB3 SER 49 HB1 SER 49 17.191 -4.867 0.206 391 HG SER 49 HG SER 49 19.032 -3.843 0.750 392 H MET 50 HN MET 50 15.150 -1.469 -1.108 393 HA MET 50 HA MET 50 13.161 -3.324 -1.992 394 HB2 MET 50 HB2 MET 50 11.719 -1.206 -2.191 395 HB3 MET 50 HB1 MET 50 12.216 -1.744 -0.602 396 HG2 MET 50 HG2 MET 50 12.326 0.668 -0.821 397 HG3 MET 50 HG1 MET 50 13.896 -0.048 -0.496 398 HE1 MET 50 HE1 MET 50 14.708 3.144 -2.695 399 HE2 MET 50 HE2 MET 50 14.982 2.350 -1.144 400 HE3 MET 50 HE3 MET 50 13.390 2.985 -1.535 401 H GLU 51 HN GLU 51 15.484 -1.522 -3.598 402 HA GLU 51 HA GLU 51 14.204 -0.860 -5.992 403 HB2 GLU 51 HB3 GLU 51 16.977 -1.650 -5.318 404 HB3 GLU 51 HB2 GLU 51 16.540 -1.111 -6.938 405 HG2 GLU 51 HG3 GLU 51 15.823 1.059 -5.991 406 HG3 GLU 51 HG2 GLU 51 16.272 0.491 -4.384 407 H LYS 52 HN LYS 52 15.759 -3.775 -4.911 408 HA LYS 52 HA LYS 52 15.341 -5.225 -7.410 409 HB2 LYS 52 HB2 LYS 52 16.381 -6.142 -4.739 410 HB3 LYS 52 HB1 LYS 52 16.415 -7.067 -6.228 411 HG2 LYS 52 HG2 LYS 52 17.958 -5.469 -7.205 412 HG3 LYS 52 HG1 LYS 52 17.885 -4.491 -5.731 413 HD2 LYS 52 HD2 LYS 52 18.731 -6.359 -4.435 414 HD3 LYS 52 HD1 LYS 52 18.786 -7.353 -5.886 415 HE2 LYS 52 HE2 LYS 52 20.439 -5.831 -6.855 416 HE3 LYS 52 HE1 LYS 52 20.386 -4.846 -5.389 417 HZ1 LYS 52 HZ1 LYS 52 22.260 -6.388 -5.372 418 HZ2 LYS 52 HZ2 LYS 52 21.218 -7.698 -5.503 419 HZ3 LYS 52 HZ3 LYS 52 21.184 -6.723 -4.133 420 H ALA 53 HN ALA 53 13.120 -4.303 -5.500 421 HA ALA 53 HA ALA 53 11.955 -6.933 -4.964 422 HB1 ALA 53 HB1 ALA 53 10.684 -5.832 -3.165 423 HB2 ALA 53 HB2 ALA 53 11.499 -4.310 -3.569 424 HB3 ALA 53 HB3 ALA 53 12.435 -5.657 -2.951 425 H GLY 54 HN GLY 54 10.231 -7.439 -6.170 426 HA2 GLY 54 HA3 GLY 54 8.939 -5.361 -7.727 427 HA3 GLY 54 HA2 GLY 54 8.732 -7.106 -7.897 428 HA PRO 55 HA PRO 55 5.101 -5.117 -5.640 429 HB2 PRO 55 HB2 PRO 55 3.295 -6.929 -6.800 430 HB3 PRO 55 HB1 PRO 55 3.556 -5.253 -7.285 431 HG2 PRO 55 HG2 PRO 55 4.569 -7.753 -8.494 432 HG3 PRO 55 HG1 PRO 55 4.222 -6.197 -9.255 433 HD2 PRO 55 HD2 PRO 55 6.740 -7.101 -8.767 434 HD3 PRO 55 HD1 PRO 55 6.328 -5.381 -8.806 435 H LEU 56 HN LEU 56 5.763 -8.516 -6.208 436 HA LEU 56 HA LEU 56 4.321 -9.469 -3.908 437 HB2 LEU 56 HB2 LEU 56 6.539 -10.810 -5.461 438 HB3 LEU 56 HB1 LEU 56 5.662 -11.574 -4.163 439 HG LEU 56 HG LEU 56 3.575 -11.273 -5.597 440 HD11 LEU 56 HD11 LEU 56 4.427 -9.624 -7.156 441 HD12 LEU 56 HD12 LEU 56 3.925 -11.089 -8.007 442 HD13 LEU 56 HD13 LEU 56 5.639 -10.771 -7.727 443 HD21 LEU 56 HD21 LEU 56 4.096 -13.287 -6.908 444 HD22 LEU 56 HD22 LEU 56 4.650 -13.403 -5.237 445 HD23 LEU 56 HD23 LEU 56 5.808 -13.070 -6.520 446 H GLU 57 HN GLU 57 7.752 -9.050 -4.564 447 HA GLU 57 HA GLU 57 8.639 -9.715 -2.002 448 HB2 GLU 57 HB3 GLU 57 9.969 -7.924 -4.045 449 HB3 GLU 57 HB2 GLU 57 10.753 -8.550 -2.608 450 HG2 GLU 57 HG3 GLU 57 11.479 -9.881 -4.452 451 HG3 GLU 57 HG2 GLU 57 10.353 -10.861 -3.522 452 H MET 58 HN MET 58 7.675 -6.647 -3.398 453 HA MET 58 HA MET 58 8.376 -4.978 -1.255 454 HB2 MET 58 HB2 MET 58 6.287 -4.737 -3.396 455 HB3 MET 58 HB1 MET 58 6.441 -3.502 -2.160 456 HG2 MET 58 HG2 MET 58 8.859 -4.323 -3.697 457 HG3 MET 58 HG1 MET 58 7.674 -3.328 -4.514 458 HE1 MET 58 HE1 MET 58 8.560 -3.071 -0.607 459 HE2 MET 58 HE2 MET 58 9.909 -1.945 -0.666 460 HE3 MET 58 HE3 MET 58 10.081 -3.564 -1.355 461 H ALA 59 HN ALA 59 5.377 -6.705 -1.932 462 HA ALA 59 HA ALA 59 3.905 -5.800 0.239 463 HB1 ALA 59 HB1 ALA 59 2.550 -7.815 -0.067 464 HB2 ALA 59 HB2 ALA 59 3.827 -8.534 -1.048 465 HB3 ALA 59 HB3 ALA 59 2.969 -7.109 -1.629 466 H GLN 60 HN GLN 60 6.150 -8.450 -0.043 467 HA GLN 60 HA GLN 60 5.813 -9.476 2.576 468 HB2 GLN 60 HB2 GLN 60 8.154 -9.796 0.711 469 HB3 GLN 60 HB1 GLN 60 7.719 -10.828 2.075 470 HG2 GLN 60 HG2 GLN 60 5.758 -11.595 0.980 471 HG3 GLN 60 HG1 GLN 60 5.936 -10.385 -0.278 472 HE21 GLN 60 HE21 GLN 60 5.781 -13.283 -0.516 473 HE22 GLN 60 HE22 GLN 60 7.204 -13.758 -1.364 474 H LEU 61 HN LEU 61 8.101 -7.189 1.121 475 HA LEU 61 HA LEU 61 9.688 -6.845 3.421 476 HB2 LEU 61 HB2 LEU 61 9.343 -5.377 0.892 477 HB3 LEU 61 HB1 LEU 61 9.853 -4.366 2.224 478 HG LEU 61 HG LEU 61 11.811 -5.893 2.551 479 HD11 LEU 61 HD11 LEU 61 10.904 -7.137 -0.027 480 HD12 LEU 61 HD12 LEU 61 10.947 -7.907 1.558 481 HD13 LEU 61 HD13 LEU 61 12.450 -7.423 0.772 482 HD21 LEU 61 HD21 LEU 61 12.060 -3.799 1.305 483 HD22 LEU 61 HD22 LEU 61 11.595 -4.614 -0.183 484 HD23 LEU 61 HD23 LEU 61 13.093 -5.049 0.628 485 H LEU 62 HN LEU 62 6.931 -4.905 2.252 486 HA LEU 62 HA LEU 62 6.867 -3.148 4.370 487 HB2 LEU 62 HB2 LEU 62 4.681 -4.149 2.582 488 HB3 LEU 62 HB1 LEU 62 4.323 -3.084 3.898 489 HG LEU 62 HG LEU 62 5.529 -1.222 2.843 490 HD11 LEU 62 HD11 LEU 62 6.324 -3.158 0.733 491 HD12 LEU 62 HD12 LEU 62 7.388 -2.500 1.972 492 HD13 LEU 62 HD13 LEU 62 6.663 -1.419 0.765 493 HD21 LEU 62 HD21 LEU 62 3.251 -1.787 2.138 494 HD22 LEU 62 HD22 LEU 62 3.935 -2.699 0.792 495 HD23 LEU 62 HD23 LEU 62 4.204 -0.951 0.921 496 H ILE 63 HN ILE 63 5.285 -6.291 4.035 497 HA ILE 63 HA ILE 63 3.862 -6.181 6.471 498 HB ILE 63 HB ILE 63 3.718 -7.824 4.369 499 HG12 ILE 63 HG12 ILE 63 2.086 -7.604 6.162 500 HG13 ILE 63 HG11 ILE 63 2.197 -9.247 5.557 501 HG21 ILE 63 HG21 ILE 63 5.274 -9.524 6.301 502 HG22 ILE 63 HG22 ILE 63 5.814 -8.985 4.714 503 HG23 ILE 63 HG23 ILE 63 4.456 -10.106 4.849 504 HD11 ILE 63 HD11 ILE 63 1.950 -9.265 7.975 505 HD12 ILE 63 HD12 ILE 63 3.331 -8.180 8.137 506 HD13 ILE 63 HD13 ILE 63 3.571 -9.824 7.549 507 H THR 64 HN THR 64 7.144 -7.031 5.789 508 HA THR 64 HA THR 64 7.601 -8.241 8.354 509 HB THR 64 HB THR 64 9.484 -7.520 6.103 510 HG1 THR 64 HG1 THR 64 8.266 -9.123 5.384 511 HG21 THR 64 HG21 THR 64 11.110 -9.010 7.187 512 HG22 THR 64 HG22 THR 64 9.987 -9.288 8.514 513 HG23 THR 64 HG23 THR 64 10.682 -7.687 8.273 514 H HIS 65 HN HIS 65 8.421 -5.197 6.755 515 HA HIS 65 HA HIS 65 9.920 -4.273 9.036 516 HB2 HIS 65 HB2 HIS 65 9.101 -2.781 6.529 517 HB3 HIS 65 HB1 HIS 65 10.180 -2.155 7.766 518 HD1 HIS 65 HD1 HIS 65 12.493 -3.687 8.050 519 HD2 HIS 65 HD2 HIS 65 10.328 -4.051 4.542 520 HE1 HIS 65 HE1 HIS 65 14.029 -4.789 6.407 521 H PHE 66 HN PHE 66 6.872 -3.307 7.492 522 HA PHE 66 HA PHE 66 6.244 -1.581 9.697 523 HB2 PHE 66 HB2 PHE 66 4.636 -2.336 7.240 524 HB3 PHE 66 HB1 PHE 66 4.222 -1.061 8.408 525 HD1 PHE 66 HD2 PHE 66 5.843 0.768 8.746 526 HD2 PHE 66 HD1 PHE 66 6.038 -1.938 5.524 527 HE1 PHE 66 HE2 PHE 66 7.335 2.314 7.569 528 HE2 PHE 66 HE1 PHE 66 7.542 -0.422 4.300 529 HZ PHE 66 HZ PHE 66 8.201 1.691 5.313 530 H GLY 67 HN GLY 67 4.159 -4.058 8.253 531 HA2 GLY 67 HA3 GLY 67 3.892 -5.811 10.275 532 HA3 GLY 67 HA2 GLY 67 2.863 -4.480 10.782 533 HA PRO 68 HA PRO 68 0.742 -7.385 7.716 534 HB2 PRO 68 HB2 PRO 68 -1.509 -7.769 9.277 535 HB3 PRO 68 HB1 PRO 68 -0.135 -8.876 9.207 536 HG2 PRO 68 HG2 PRO 68 -0.798 -6.787 11.227 537 HG3 PRO 68 HG1 PRO 68 -0.081 -8.390 11.463 538 HD2 PRO 68 HD2 PRO 68 1.389 -6.124 11.536 539 HD3 PRO 68 HD1 PRO 68 2.049 -7.650 10.918 540 H GLU 69 HN GLU 69 -0.659 -4.898 9.780 541 HA GLU 69 HA GLU 69 -2.542 -4.224 7.639 542 HB2 GLU 69 HB3 GLU 69 -2.397 -3.208 10.466 543 HB3 GLU 69 HB2 GLU 69 -3.703 -2.934 9.321 544 HG2 GLU 69 HG3 GLU 69 -4.176 -5.320 9.285 545 HG3 GLU 69 HG2 GLU 69 -2.874 -5.593 10.443 546 H GLU 70 HN GLU 70 0.165 -3.070 9.424 547 HA GLU 70 HA GLU 70 0.100 -0.345 8.676 548 HB2 GLU 70 HB3 GLU 70 1.509 -1.609 10.468 549 HB3 GLU 70 HB2 GLU 70 2.623 -1.895 9.148 550 HG2 GLU 70 HG3 GLU 70 3.387 0.033 10.304 551 HG3 GLU 70 HG2 GLU 70 2.666 0.611 8.803 552 H ALA 71 HN ALA 71 1.542 -3.238 7.238 553 HA ALA 71 HA ALA 71 2.885 -2.162 5.070 554 HB1 ALA 71 HB1 ALA 71 2.560 -4.326 4.002 555 HB2 ALA 71 HB2 ALA 71 1.290 -4.717 5.163 556 HB3 ALA 71 HB3 ALA 71 2.952 -4.514 5.709 557 H TRP 72 HN TRP 72 -0.514 -3.218 5.225 558 HA TRP 72 HA TRP 72 -1.120 -2.511 2.584 559 HB2 TRP 72 HB2 TRP 72 -2.608 -4.028 3.685 560 HB3 TRP 72 HB1 TRP 72 -2.906 -2.890 4.995 561 HD1 TRP 72 HD1 TRP 72 -5.389 -2.266 4.798 562 HE1 TRP 72 HE1 TRP 72 -6.930 -1.395 2.920 563 HE3 TRP 72 HE3 TRP 72 -2.167 -2.590 0.873 564 HZ2 TRP 72 HZ2 TRP 72 -6.788 -0.921 0.179 565 HZ3 TRP 72 HZ3 TRP 72 -2.943 -1.913 -1.365 566 HH2 TRP 72 HH2 TRP 72 -5.212 -1.091 -1.700 567 H ARG 73 HN ARG 73 -1.484 -0.778 5.583 568 HA ARG 73 HA ARG 73 -2.669 1.518 4.613 569 HB2 ARG 73 HB2 ARG 73 -2.517 1.116 6.970 570 HB3 ARG 73 HB1 ARG 73 -0.765 1.076 6.902 571 HG2 ARG 73 HG2 ARG 73 -0.728 3.447 6.375 572 HG3 ARG 73 HG1 ARG 73 -2.490 3.507 6.452 573 HD2 ARG 73 HD2 ARG 73 -2.401 2.754 8.765 574 HD3 ARG 73 HD1 ARG 73 -0.640 2.700 8.678 575 HE ARG 73 HE ARG 73 -1.992 5.198 8.109 576 HH11 ARG 73 HH11 ARG 73 0.153 3.305 10.219 577 HH12 ARG 73 HH12 ARG 73 0.476 4.611 11.270 578 HH21 ARG 73 HH21 ARG 73 -1.518 6.981 9.546 579 HH22 ARG 73 HH22 ARG 73 -0.498 6.770 10.876 580 H LEU 74 HN LEU 74 0.763 0.767 5.070 581 HA LEU 74 HA LEU 74 1.881 3.110 4.110 582 HB2 LEU 74 HB2 LEU 74 2.792 0.366 4.564 583 HB3 LEU 74 HB1 LEU 74 3.717 1.237 3.366 584 HG LEU 74 HG LEU 74 4.690 1.314 5.661 585 HD11 LEU 74 HD11 LEU 74 5.149 3.712 5.668 586 HD12 LEU 74 HD12 LEU 74 3.862 3.957 4.481 587 HD13 LEU 74 HD13 LEU 74 5.284 2.989 4.073 588 HD21 LEU 74 HD21 LEU 74 3.683 2.735 7.356 589 HD22 LEU 74 HD22 LEU 74 2.573 1.429 6.918 590 HD23 LEU 74 HD23 LEU 74 2.311 3.056 6.299 591 H ALA 75 HN ALA 75 0.779 0.303 2.313 592 HA ALA 75 HA ALA 75 1.825 1.251 -0.157 593 HB1 ALA 75 HB1 ALA 75 1.316 -1.086 0.159 594 HB2 ALA 75 HB2 ALA 75 0.437 -0.425 -1.210 595 HB3 ALA 75 HB3 ALA 75 -0.401 -0.709 0.321 596 H LEU 76 HN LEU 76 -1.528 1.222 1.120 597 HA LEU 76 HA LEU 76 -2.550 2.552 -1.149 598 HB2 LEU 76 HB2 LEU 76 -4.652 2.715 -0.044 599 HB3 LEU 76 HB1 LEU 76 -3.945 1.185 0.400 600 HG LEU 76 HG LEU 76 -3.198 2.585 2.546 601 HD11 LEU 76 HD11 LEU 76 -4.144 4.705 1.804 602 HD12 LEU 76 HD12 LEU 76 -4.965 4.123 3.251 603 HD13 LEU 76 HD13 LEU 76 -5.741 3.961 1.676 604 HD21 LEU 76 HD21 LEU 76 -4.474 0.565 2.632 605 HD22 LEU 76 HD22 LEU 76 -5.891 1.376 2.006 606 HD23 LEU 76 HD23 LEU 76 -5.296 1.768 3.633 607 H SER 77 HN SER 77 -1.498 3.810 1.954 608 HA SER 77 HA SER 77 -2.287 6.451 1.380 609 HB2 SER 77 HB2 SER 77 -0.627 5.100 3.426 610 HB3 SER 77 HB1 SER 77 -0.863 6.878 3.491 611 HG SER 77 HG SER 77 -3.158 6.256 3.457 612 H THR 78 HN THR 78 0.344 4.587 0.297 613 HA THR 78 HA THR 78 1.811 7.010 -0.295 614 HB THR 78 HB THR 78 2.662 4.114 -0.638 615 HG1 THR 78 HG1 THR 78 2.961 4.366 1.376 616 HG21 THR 78 HG21 THR 78 4.276 6.663 -0.916 617 HG22 THR 78 HG22 THR 78 3.774 5.633 -2.255 618 HG23 THR 78 HG23 THR 78 4.908 5.020 -1.048 619 H PHE 79 HN PHE 79 -0.281 4.656 -1.712 620 HA PHE 79 HA PHE 79 0.262 5.018 -4.418 621 HB2 PHE 79 HB2 PHE 79 -2.435 4.630 -3.083 622 HB3 PHE 79 HB1 PHE 79 -2.186 4.565 -4.821 623 HD1 PHE 79 HD1 PHE 79 0.593 3.019 -4.294 624 HD2 PHE 79 HD2 PHE 79 -3.471 2.459 -3.171 625 HE1 PHE 79 HE1 PHE 79 0.980 0.624 -4.108 626 HE2 PHE 79 HE2 PHE 79 -3.087 0.041 -2.976 627 HZ PHE 79 HZ PHE 79 -0.860 -0.886 -3.444 628 H GLU 80 HN GLU 80 -1.901 6.800 -2.253 629 HA GLU 80 HA GLU 80 -2.715 8.757 -4.082 630 HB2 GLU 80 HB3 GLU 80 -3.277 10.150 -2.082 631 HB3 GLU 80 HB2 GLU 80 -3.932 8.519 -2.024 632 HG2 GLU 80 HG3 GLU 80 -2.389 7.831 -0.443 633 HG3 GLU 80 HG2 GLU 80 -1.354 9.237 -0.693 634 H ARG 81 HN ARG 81 0.168 8.515 -2.141 635 HA ARG 81 HA ARG 81 1.074 11.199 -2.348 636 HB2 ARG 81 HB2 ARG 81 2.696 8.680 -2.059 637 HB3 ARG 81 HB1 ARG 81 3.316 10.301 -1.857 638 HG2 ARG 81 HG2 ARG 81 1.247 8.966 -0.128 639 HG3 ARG 81 HG1 ARG 81 2.956 9.202 0.243 640 HD2 ARG 81 HD2 ARG 81 2.000 10.929 1.403 641 HD3 ARG 81 HD1 ARG 81 2.376 11.710 -0.136 642 HE ARG 81 HE ARG 81 -0.259 10.603 -0.037 643 HH11 ARG 81 HH11 ARG 81 1.672 13.459 0.799 644 HH12 ARG 81 HH12 ARG 81 0.333 14.494 0.950 645 HH21 ARG 81 HH21 ARG 81 -2.123 12.018 0.295 646 HH22 ARG 81 HH22 ARG 81 -1.853 13.658 0.640 647 H ILE 82 HN ILE 82 1.569 8.289 -4.269 648 HA ILE 82 HA ILE 82 3.268 9.683 -6.131 649 HB ILE 82 HB ILE 82 3.634 7.501 -7.200 650 HG12 ILE 82 HG12 ILE 82 1.830 6.327 -5.069 651 HG13 ILE 82 HG11 ILE 82 1.299 6.581 -6.738 652 HG21 ILE 82 HG21 ILE 82 5.000 8.141 -5.290 653 HG22 ILE 82 HG22 ILE 82 4.736 6.396 -5.288 654 HG23 ILE 82 HG23 ILE 82 3.824 7.432 -4.189 655 HD11 ILE 82 HD11 ILE 82 3.504 4.780 -5.764 656 HD12 ILE 82 HD12 ILE 82 3.047 5.003 -7.454 657 HD13 ILE 82 HD13 ILE 82 1.906 4.279 -6.316 658 H ASN 83 HN ASN 83 0.346 10.160 -5.784 659 HA ASN 83 HA ASN 83 -1.351 10.917 -6.965 660 HB2 ASN 83 HB3 ASN 83 0.533 10.777 -9.303 661 HB3 ASN 83 HB2 ASN 83 -1.067 11.529 -9.338 662 HD21 ASN 83 HD21 ASN 83 -1.430 13.054 -7.728 663 HD22 ASN 83 HD22 ASN 83 -0.220 14.232 -7.302 664 H ARG 84 HN ARG 84 -0.805 8.220 -6.731 665 HA ARG 84 HA ARG 84 -2.624 7.195 -8.766 666 HB2 ARG 84 HB2 ARG 84 -0.581 5.951 -8.603 667 HB3 ARG 84 HB1 ARG 84 -0.795 5.697 -6.886 668 HG2 ARG 84 HG2 ARG 84 -1.371 3.664 -8.192 669 HG3 ARG 84 HG1 ARG 84 -2.726 4.279 -7.242 670 HD2 ARG 84 HD2 ARG 84 -3.574 3.691 -9.345 671 HD3 ARG 84 HD1 ARG 84 -3.511 5.439 -9.277 672 HE ARG 84 HE ARG 84 -1.116 4.391 -10.419 673 HH11 ARG 84 HH11 ARG 84 -4.407 5.398 -11.367 674 HH12 ARG 84 HH12 ARG 84 -4.089 5.145 -13.024 675 HH21 ARG 84 HH21 ARG 84 -0.743 4.145 -12.552 676 HH22 ARG 84 HH22 ARG 84 -1.943 4.437 -13.753 677 H LYS 85 HN LYS 85 -4.236 8.430 -7.674 678 HA LYS 85 HA LYS 85 -4.976 7.835 -5.026 679 HB2 LYS 85 HB2 LYS 85 -6.756 9.357 -5.504 680 HB3 LYS 85 HB1 LYS 85 -5.215 10.038 -6.007 681 HG2 LYS 85 HG2 LYS 85 -5.685 9.706 -8.290 682 HG3 LYS 85 HG1 LYS 85 -6.998 8.591 -7.938 683 HD2 LYS 85 HD2 LYS 85 -8.236 10.513 -6.932 684 HD3 LYS 85 HD1 LYS 85 -6.959 11.572 -7.547 685 HE2 LYS 85 HE2 LYS 85 -8.919 11.420 -9.060 686 HE3 LYS 85 HE1 LYS 85 -7.406 10.902 -9.806 687 HZ1 LYS 85 HZ1 LYS 85 -8.072 8.621 -9.683 688 HZ2 LYS 85 HZ2 LYS 85 -9.462 9.431 -10.167 689 HZ3 LYS 85 HZ3 LYS 85 -9.280 8.957 -8.568 690 H ASP 86 HN ASP 86 -5.505 6.608 -8.133 691 HA ASP 86 HA ASP 86 -8.195 5.870 -8.053 692 HB2 ASP 86 HB2 ASP 86 -6.056 4.424 -9.593 693 HB3 ASP 86 HB1 ASP 86 -7.751 4.645 -10.026 694 H LEU 87 HN LEU 87 -5.253 4.058 -7.390 695 HA LEU 87 HA LEU 87 -6.755 1.708 -6.582 696 HB2 LEU 87 HB2 LEU 87 -3.821 2.336 -6.222 697 HB3 LEU 87 HB1 LEU 87 -4.559 0.809 -5.805 698 HG LEU 87 HG LEU 87 -4.297 1.959 -8.578 699 HD11 LEU 87 HD11 LEU 87 -2.946 -0.373 -7.235 700 HD12 LEU 87 HD12 LEU 87 -2.202 1.175 -7.633 701 HD13 LEU 87 HD13 LEU 87 -2.752 0.101 -8.921 702 HD21 LEU 87 HD21 LEU 87 -6.342 0.663 -8.402 703 HD22 LEU 87 HD22 LEU 87 -5.470 -0.668 -7.647 704 HD23 LEU 87 HD23 LEU 87 -5.139 -0.234 -9.328 705 H TRP 88 HN TRP 88 -5.614 4.522 -5.177 706 HA TRP 88 HA TRP 88 -5.597 3.775 -2.453 707 HB2 TRP 88 HB2 TRP 88 -4.414 5.708 -3.236 708 HB3 TRP 88 HB1 TRP 88 -5.848 6.361 -3.964 709 HD1 TRP 88 HD1 TRP 88 -4.415 5.693 -0.476 710 HE1 TRP 88 HE1 TRP 88 -5.363 7.454 1.150 711 HE3 TRP 88 HE3 TRP 88 -7.678 7.979 -3.622 712 HZ2 TRP 88 HZ2 TRP 88 -7.288 9.519 1.095 713 HZ3 TRP 88 HZ3 TRP 88 -9.044 9.832 -2.781 714 HH2 TRP 88 HH2 TRP 88 -8.855 10.593 -0.468 715 H GLU 89 HN GLU 89 -7.951 5.392 -4.553 716 HA GLU 89 HA GLU 89 -10.145 5.551 -2.826 717 HB2 GLU 89 HB3 GLU 89 -10.093 5.257 -5.842 718 HB3 GLU 89 HB2 GLU 89 -11.519 5.675 -4.910 719 HG2 GLU 89 HG3 GLU 89 -10.435 7.756 -4.197 720 HG3 GLU 89 HG2 GLU 89 -8.993 7.301 -5.106 721 H ARG 90 HN ARG 90 -9.072 2.992 -4.959 722 HA ARG 90 HA ARG 90 -11.339 1.277 -4.520 723 HB2 ARG 90 HB2 ARG 90 -8.574 0.525 -5.478 724 HB3 ARG 90 HB1 ARG 90 -10.017 -0.469 -5.592 725 HG2 ARG 90 HG2 ARG 90 -10.991 1.214 -7.106 726 HG3 ARG 90 HG1 ARG 90 -9.479 2.114 -7.029 727 HD2 ARG 90 HD2 ARG 90 -8.303 0.090 -7.860 728 HD3 ARG 90 HD1 ARG 90 -9.875 -0.680 -8.046 729 HE ARG 90 HE ARG 90 -9.804 1.781 -9.419 730 HH11 ARG 90 HH11 ARG 90 -8.740 -1.580 -9.635 731 HH12 ARG 90 HH12 ARG 90 -8.593 -1.610 -11.324 732 HH21 ARG 90 HH21 ARG 90 -9.637 1.785 -11.742 733 HH22 ARG 90 HH22 ARG 90 -9.122 0.395 -12.577 734 H GLY 91 HN GLY 91 -8.173 1.657 -3.143 735 HA2 GLY 91 HA3 GLY 91 -8.065 -0.652 -1.489 736 HA3 GLY 91 HA2 GLY 91 -7.119 0.799 -1.383 737 H GLN 92 HN GLN 92 -7.785 2.497 -0.196 738 HA GLN 92 HA GLN 92 -8.376 3.409 1.776 739 HB2 GLN 92 HB2 GLN 92 -11.002 1.950 1.425 740 HB3 GLN 92 HB1 GLN 92 -10.734 3.398 2.372 741 HG2 GLN 92 HG2 GLN 92 -10.195 4.592 0.237 742 HG3 GLN 92 HG1 GLN 92 -10.684 3.137 -0.631 743 HE21 GLN 92 HE21 GLN 92 -12.408 4.020 -1.633 744 HE22 GLN 92 HE22 GLN 92 -13.839 4.557 -0.811 745 H ARG 93 HN ARG 93 -9.507 2.744 4.009 746 HA ARG 93 HA ARG 93 -8.353 0.118 4.617 747 HB2 ARG 93 HB2 ARG 93 -7.999 0.872 6.885 748 HB3 ARG 93 HB1 ARG 93 -7.209 1.957 5.752 749 HG2 ARG 93 HG2 ARG 93 -8.983 3.568 6.013 750 HG3 ARG 93 HG1 ARG 93 -9.863 2.463 7.065 751 HD2 ARG 93 HD2 ARG 93 -7.125 3.542 7.602 752 HD3 ARG 93 HD1 ARG 93 -8.645 4.193 8.253 753 HE ARG 93 HE ARG 93 -8.925 2.261 9.528 754 HH11 ARG 93 HH11 ARG 93 -5.744 2.257 7.911 755 HH12 ARG 93 HH12 ARG 93 -5.068 1.133 8.995 756 HH21 ARG 93 HH21 ARG 93 -7.964 0.754 11.003 757 HH22 ARG 93 HH22 ARG 93 -6.354 0.259 10.799 758 H GLU 94 HN GLU 94 -9.477 -1.169 6.069 759 HA GLU 94 HA GLU 94 -12.242 -0.372 6.440 760 HB2 GLU 94 HB3 GLU 94 -11.109 -3.165 6.062 761 HB3 GLU 94 HB2 GLU 94 -12.799 -2.805 6.382 762 HG2 GLU 94 HG3 GLU 94 -12.972 -1.616 4.274 763 HG3 GLU 94 HG2 GLU 94 -11.265 -1.914 3.947 764 H ASP 95 HN ASP 95 -12.509 0.126 8.498 765 HA ASP 95 HA ASP 95 -10.656 -1.086 10.422 766 HB2 ASP 95 HB2 ASP 95 -10.502 1.416 9.885 767 HB3 ASP 95 HB1 ASP 95 -12.047 1.580 10.708 768 H LEU 96 HN LEU 96 -12.240 0.155 12.631 769 HA LEU 96 HA LEU 96 -13.873 -2.010 13.281 770 HB2 LEU 96 HB2 LEU 96 -12.757 -0.469 14.874 771 HB3 LEU 96 HB1 LEU 96 -13.856 0.797 14.392 772 HG LEU 96 HG LEU 96 -15.733 -0.448 15.363 773 HD11 LEU 96 HD11 LEU 96 -13.620 -2.438 16.203 774 HD12 LEU 96 HD12 LEU 96 -14.916 -2.724 15.042 775 HD13 LEU 96 HD13 LEU 96 -15.299 -2.430 16.736 776 HD21 LEU 96 HD21 LEU 96 -13.392 -0.128 17.226 777 HD22 LEU 96 HD22 LEU 96 -15.094 -0.167 17.690 778 HD23 LEU 96 HD23 LEU 96 -14.474 1.156 16.704 779 H VAL 97 HN VAL 97 -16.223 -1.894 13.714 780 HA VAL 97 HA VAL 97 -18.275 -1.863 12.981 781 HB VAL 97 HB VAL 97 -17.566 0.744 11.619 782 HG11 VAL 97 HG11 VAL 97 -20.039 1.143 11.481 783 HG12 VAL 97 HG12 VAL 97 -20.306 -0.481 12.122 784 HG13 VAL 97 HG13 VAL 97 -19.544 -0.272 10.548 785 HG21 VAL 97 HG21 VAL 97 -18.796 1.819 13.484 786 HG22 VAL 97 HG22 VAL 97 -17.387 0.905 14.028 787 HG23 VAL 97 HG23 VAL 97 -19.002 0.230 14.223 788 H ARG 98 HN ARG 98 -17.755 -3.663 12.018 789 HA ARG 98 HA ARG 98 -17.196 -3.658 9.140 790 HB2 ARG 98 HB2 ARG 98 -16.827 -5.745 11.288 791 HB3 ARG 98 HB1 ARG 98 -16.590 -6.050 9.570 792 HG2 ARG 98 HG2 ARG 98 -15.139 -3.922 11.069 793 HG3 ARG 98 HG1 ARG 98 -14.504 -5.570 10.900 794 HD2 ARG 98 HD2 ARG 98 -15.187 -3.672 8.634 795 HD3 ARG 98 HD1 ARG 98 -13.561 -4.063 9.203 796 HE ARG 98 HE ARG 98 -14.559 -6.468 8.672 797 HH11 ARG 98 HH11 ARG 98 -14.639 -3.582 6.656 798 HH12 ARG 98 HH12 ARG 98 -14.378 -4.402 5.197 799 HH21 ARG 98 HH21 ARG 98 -14.321 -7.619 6.706 800 HH22 ARG 98 HH22 ARG 98 -14.237 -6.790 5.210 801 H ASP 99 HN ASP 99 -19.663 -3.275 10.726 802 HA ASP 99 HA ASP 99 -21.349 -5.533 10.149 803 HB2 ASP 99 HB2 ASP 99 -22.190 -2.713 10.880 804 HB3 ASP 99 HB1 ASP 99 -23.206 -4.146 10.920 805 H THR 100 HN THR 100 -20.488 -5.457 7.906 806 HA THR 100 HA THR 100 -21.824 -3.580 6.146 807 HB THR 100 HB THR 100 -20.181 -6.031 5.403 808 HG1 THR 100 HG1 THR 100 -19.478 -3.676 6.607 809 HG21 THR 100 HG21 THR 100 -20.671 -3.398 3.966 810 HG22 THR 100 HG22 THR 100 -21.450 -4.929 3.566 811 HG23 THR 100 HG23 THR 100 -19.710 -4.745 3.352 812 H VAL 101 HN VAL 101 -22.215 -6.664 7.521 813 HA VAL 101 HA VAL 101 -23.987 -7.896 5.700 814 HB VAL 101 HB VAL 101 -23.781 -8.308 8.699 815 HG11 VAL 101 HG11 VAL 101 -24.642 -10.558 8.247 816 HG12 VAL 101 HG12 VAL 101 -24.795 -10.142 6.541 817 HG13 VAL 101 HG13 VAL 101 -25.778 -9.306 7.742 818 HG21 VAL 101 HG21 VAL 101 -22.262 -9.695 6.487 819 HG22 VAL 101 HG22 VAL 101 -22.212 -10.122 8.199 820 HG23 VAL 101 HG23 VAL 101 -21.592 -8.563 7.661 821 H GLU 102 HN GLU 102 -25.805 -6.904 5.132 822 HA GLU 102 HA GLU 102 -27.828 -6.285 7.047 823 HB2 GLU 102 HB3 GLU 102 -26.213 -4.203 6.806 824 HB3 GLU 102 HB2 GLU 102 -26.935 -4.039 5.223 825 HG2 GLU 102 HG3 GLU 102 -28.530 -3.986 7.784 826 HG3 GLU 102 HG2 GLU 102 -27.868 -2.551 7.026 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 -9.388 -11.637 14.099 2 H2 GLY 1 HT2 GLY 1 -9.425 -11.431 12.414 3 H3 GLY 1 HT3 GLY 1 -8.362 -10.531 13.384 4 HA2 GLY 1 HA2 GLY 1 -8.219 -13.450 13.116 5 HA3 GLY 1 HA3 GLY 1 -7.206 -12.307 12.241 6 H HIS 2 HN HIS 2 -8.220 -13.126 15.573 7 HA HIS 2 HA HIS 2 -5.692 -12.085 16.473 8 HB2 HIS 2 HB2 HIS 2 -6.482 -12.643 18.816 9 HB3 HIS 2 HB1 HIS 2 -7.486 -11.491 17.963 10 HD1 HIS 2 HD1 HIS 2 -7.613 -14.684 19.792 11 HD2 HIS 2 HD2 HIS 2 -10.018 -12.608 17.122 12 HE1 HIS 2 HE1 HIS 2 -9.911 -15.673 20.013 13 H MET 3 HN MET 3 -4.035 -13.160 16.143 14 HA MET 3 HA MET 3 -2.505 -14.746 15.878 15 HB2 MET 3 HB2 MET 3 -4.238 -16.391 17.758 16 HB3 MET 3 HB1 MET 3 -2.673 -16.930 17.180 17 HG2 MET 3 HG2 MET 3 -1.766 -14.768 18.207 18 HG3 MET 3 HG1 MET 3 -3.309 -14.687 19.057 19 HE1 MET 3 HE1 MET 3 -4.144 -16.669 20.782 20 HE2 MET 3 HE2 MET 3 -3.201 -18.137 21.058 21 HE3 MET 3 HE3 MET 3 -3.901 -17.828 19.474 22 H LEU 4 HN LEU 4 -2.780 -17.576 15.583 23 HA LEU 4 HA LEU 4 -3.396 -19.199 14.262 24 HB2 LEU 4 HB2 LEU 4 -5.759 -18.547 14.589 25 HB3 LEU 4 HB1 LEU 4 -5.622 -17.432 13.249 26 HG LEU 4 HG LEU 4 -5.325 -19.302 11.697 27 HD11 LEU 4 HD11 LEU 4 -5.664 -21.035 14.144 28 HD12 LEU 4 HD12 LEU 4 -4.194 -20.877 13.176 29 HD13 LEU 4 HD13 LEU 4 -5.635 -21.605 12.476 30 HD21 LEU 4 HD21 LEU 4 -7.566 -20.205 11.864 31 HD22 LEU 4 HD22 LEU 4 -7.575 -18.481 12.250 32 HD23 LEU 4 HD23 LEU 4 -7.666 -19.678 13.539 33 H ARG 5 HN ARG 5 -2.118 -19.737 12.805 34 HA ARG 5 HA ARG 5 -0.870 -17.833 11.065 35 HB2 ARG 5 HB2 ARG 5 0.193 -19.797 12.259 36 HB3 ARG 5 HB1 ARG 5 -0.594 -20.818 11.084 37 HG2 ARG 5 HG2 ARG 5 0.657 -19.794 9.294 38 HG3 ARG 5 HG1 ARG 5 1.427 -18.690 10.443 39 HD2 ARG 5 HD2 ARG 5 1.646 -21.693 10.368 40 HD3 ARG 5 HD1 ARG 5 2.930 -20.522 10.051 41 HE ARG 5 HE ARG 5 2.144 -19.893 12.550 42 HH11 ARG 5 HH11 ARG 5 3.236 -22.938 11.103 43 HH12 ARG 5 HH12 ARG 5 3.765 -23.581 12.594 44 HH21 ARG 5 HH21 ARG 5 2.890 -20.799 14.558 45 HH22 ARG 5 HH22 ARG 5 3.613 -22.340 14.570 46 H THR 6 HN THR 6 -2.820 -20.770 10.569 47 HA THR 6 HA THR 6 -3.112 -20.011 7.783 48 HB THR 6 HB THR 6 -4.046 -22.535 9.152 49 HG1 THR 6 HG1 THR 6 -1.846 -22.383 9.364 50 HG21 THR 6 HG21 THR 6 -3.488 -21.892 6.239 51 HG22 THR 6 HG22 THR 6 -5.089 -22.041 6.960 52 HG23 THR 6 HG23 THR 6 -4.031 -23.449 6.868 53 H ALA 7 HN ALA 7 -4.554 -18.395 7.830 54 HA ALA 7 HA ALA 7 -7.320 -19.115 8.401 55 HB1 ALA 7 HB1 ALA 7 -6.047 -16.623 9.534 56 HB2 ALA 7 HB2 ALA 7 -6.525 -18.040 10.465 57 HB3 ALA 7 HB3 ALA 7 -7.751 -17.065 9.653 58 H GLY 8 HN GLY 8 -5.315 -16.330 7.514 59 HA2 GLY 8 HA3 GLY 8 -5.390 -15.556 5.182 60 HA3 GLY 8 HA2 GLY 8 -7.129 -15.867 5.235 61 H ARG 9 HN ARG 9 -4.915 -13.452 5.439 62 HA ARG 9 HA ARG 9 -6.685 -11.825 7.113 63 HB2 ARG 9 HB2 ARG 9 -4.744 -12.713 8.429 64 HB3 ARG 9 HB1 ARG 9 -3.676 -11.892 7.305 65 HG2 ARG 9 HG2 ARG 9 -4.877 -9.757 7.940 66 HG3 ARG 9 HG1 ARG 9 -5.601 -10.690 9.251 67 HD2 ARG 9 HD2 ARG 9 -3.337 -11.271 10.021 68 HD3 ARG 9 HD1 ARG 9 -2.718 -10.234 8.717 69 HE ARG 9 HE ARG 9 -4.058 -8.416 9.811 70 HH11 ARG 9 HH11 ARG 9 -2.535 -11.023 11.714 71 HH12 ARG 9 HH12 ARG 9 -2.498 -10.092 13.134 72 HH21 ARG 9 HH21 ARG 9 -3.977 -7.234 11.668 73 HH22 ARG 9 HH22 ARG 9 -3.325 -7.832 13.136 74 H ASP 10 HN ASP 10 -6.303 -9.526 6.751 75 HA ASP 10 HA ASP 10 -5.686 -8.856 4.067 76 HB2 ASP 10 HB2 ASP 10 -6.087 -7.005 6.436 77 HB3 ASP 10 HB1 ASP 10 -6.063 -6.524 4.746 78 H GLY 11 HN GLY 11 -4.057 -7.293 3.511 79 HA2 GLY 11 HA3 GLY 11 -2.013 -6.170 4.307 80 HA3 GLY 11 HA2 GLY 11 -1.663 -7.682 5.150 81 H LEU 12 HN LEU 12 -0.870 -9.356 4.101 82 HA LEU 12 HA LEU 12 0.846 -8.925 1.935 83 HB2 LEU 12 HB2 LEU 12 0.770 -10.783 3.765 84 HB3 LEU 12 HB1 LEU 12 -0.294 -11.604 2.667 85 HG LEU 12 HG LEU 12 1.980 -12.506 2.570 86 HD11 LEU 12 HD11 LEU 12 1.212 -11.152 0.002 87 HD12 LEU 12 HD12 LEU 12 0.662 -12.731 0.566 88 HD13 LEU 12 HD13 LEU 12 2.362 -12.478 0.167 89 HD21 LEU 12 HD21 LEU 12 3.807 -11.209 1.605 90 HD22 LEU 12 HD22 LEU 12 3.241 -10.529 3.130 91 HD23 LEU 12 HD23 LEU 12 2.786 -9.774 1.603 92 H CYS 13 HN CYS 13 -2.205 -10.657 2.068 93 HA CYS 13 HA CYS 13 -2.586 -11.484 -0.512 94 HB2 CYS 13 HB2 CYS 13 -4.564 -10.342 1.380 95 HB3 CYS 13 HB1 CYS 13 -4.949 -11.486 0.073 96 HG CYS 13 HG CYS 13 -4.192 -12.060 3.176 97 H ARG 14 HN ARG 14 -3.596 -8.388 0.921 98 HA ARG 14 HA ARG 14 -4.791 -7.385 -1.471 99 HB2 ARG 14 HB2 ARG 14 -3.970 -5.972 1.059 100 HB3 ARG 14 HB1 ARG 14 -4.802 -5.186 -0.268 101 HG2 ARG 14 HG2 ARG 14 -6.670 -6.654 0.012 102 HG3 ARG 14 HG1 ARG 14 -5.872 -7.465 1.384 103 HD2 ARG 14 HD2 ARG 14 -5.775 -5.234 2.505 104 HD3 ARG 14 HD1 ARG 14 -6.694 -4.569 1.164 105 HE ARG 14 HE ARG 14 -7.838 -6.735 2.806 106 HH11 ARG 14 HH11 ARG 14 -8.029 -3.374 1.635 107 HH12 ARG 14 HH12 ARG 14 -9.496 -3.057 2.393 108 HH21 ARG 14 HH21 ARG 14 -9.754 -6.334 3.811 109 HH22 ARG 14 HH22 ARG 14 -10.600 -4.854 3.674 110 H LEU 15 HN LEU 15 -1.690 -6.999 0.081 111 HA LEU 15 HA LEU 15 -0.658 -4.981 -1.574 112 HB2 LEU 15 HB2 LEU 15 0.616 -7.213 -0.087 113 HB3 LEU 15 HB1 LEU 15 1.550 -5.894 -0.816 114 HG LEU 15 HG LEU 15 -0.416 -5.763 1.458 115 HD11 LEU 15 HD11 LEU 15 2.529 -5.216 1.469 116 HD12 LEU 15 HD12 LEU 15 1.771 -6.722 1.986 117 HD13 LEU 15 HD13 LEU 15 1.416 -5.222 2.840 118 HD21 LEU 15 HD21 LEU 15 0.248 -3.403 1.650 119 HD22 LEU 15 HD22 LEU 15 -0.607 -3.746 0.146 120 HD23 LEU 15 HD23 LEU 15 1.146 -3.557 0.145 121 H SER 16 HN SER 16 -0.488 -8.516 -1.749 122 HA SER 16 HA SER 16 1.015 -8.614 -4.145 123 HB2 SER 16 HB2 SER 16 0.933 -10.448 -2.450 124 HB3 SER 16 HB1 SER 16 -0.751 -10.736 -2.866 125 HG SER 16 HG SER 16 -0.152 -11.808 -4.534 126 H THR 17 HN THR 17 -1.992 -7.497 -3.696 127 HA THR 17 HA THR 17 -2.912 -8.351 -6.328 128 HB THR 17 HB THR 17 -4.449 -6.995 -4.091 129 HG1 THR 17 HG1 THR 17 -3.913 -9.184 -3.590 130 HG21 THR 17 HG21 THR 17 -5.373 -6.491 -6.311 131 HG22 THR 17 HG22 THR 17 -6.447 -7.576 -5.425 132 HG23 THR 17 HG23 THR 17 -5.397 -8.211 -6.694 133 H TYR 18 HN TYR 18 -2.867 -5.462 -4.240 134 HA TYR 18 HA TYR 18 -3.355 -3.706 -6.399 135 HB2 TYR 18 HB2 TYR 18 -2.729 -3.222 -3.505 136 HB3 TYR 18 HB1 TYR 18 -2.940 -1.898 -4.652 137 HD1 TYR 18 HD2 TYR 18 -4.626 -4.765 -3.048 138 HD2 TYR 18 HD1 TYR 18 -5.085 -1.291 -5.447 139 HE1 TYR 18 HE2 TYR 18 -7.082 -4.952 -2.844 140 HE2 TYR 18 HE1 TYR 18 -7.511 -1.466 -5.258 141 HH TYR 18 HH TYR 18 -9.092 -3.449 -3.049 142 H LEU 19 HN LEU 19 -0.379 -4.744 -4.883 143 HA LEU 19 HA LEU 19 1.030 -2.586 -6.114 144 HB2 LEU 19 HB2 LEU 19 2.037 -5.053 -4.705 145 HB3 LEU 19 HB1 LEU 19 3.095 -3.819 -5.360 146 HG LEU 19 HG LEU 19 1.056 -3.365 -3.152 147 HD11 LEU 19 HD11 LEU 19 2.980 -3.155 -1.694 148 HD12 LEU 19 HD12 LEU 19 4.049 -3.575 -3.032 149 HD13 LEU 19 HD13 LEU 19 2.900 -4.763 -2.417 150 HD21 LEU 19 HD21 LEU 19 3.176 -1.531 -4.300 151 HD22 LEU 19 HD22 LEU 19 2.164 -1.180 -2.903 152 HD23 LEU 19 HD23 LEU 19 1.438 -1.336 -4.487 153 H GLU 20 HN GLU 20 -0.152 -5.562 -7.212 154 HA GLU 20 HA GLU 20 1.784 -5.718 -9.379 155 HB2 GLU 20 HB3 GLU 20 -0.739 -7.336 -8.989 156 HB3 GLU 20 HB2 GLU 20 0.507 -7.650 -10.187 157 HG2 GLU 20 HG3 GLU 20 2.063 -7.901 -8.191 158 HG3 GLU 20 HG2 GLU 20 0.590 -8.009 -7.225 159 H GLU 21 HN GLU 21 -0.912 -3.987 -8.647 160 HA GLU 21 HA GLU 21 -1.971 -3.747 -11.325 161 HB2 GLU 21 HB3 GLU 21 -2.506 -2.139 -8.809 162 HB3 GLU 21 HB2 GLU 21 -3.392 -1.985 -10.312 163 HG2 GLU 21 HG3 GLU 21 -3.294 -4.495 -8.645 164 HG3 GLU 21 HG2 GLU 21 -4.574 -3.287 -8.562 165 H LEU 22 HN LEU 22 0.575 -2.561 -9.480 166 HA LEU 22 HA LEU 22 0.685 0.056 -10.735 167 HB2 LEU 22 HB2 LEU 22 2.591 -1.181 -8.741 168 HB3 LEU 22 HB1 LEU 22 2.673 0.410 -9.456 169 HG LEU 22 HG LEU 22 0.502 -0.567 -7.611 170 HD11 LEU 22 HD11 LEU 22 1.488 1.077 -6.064 171 HD12 LEU 22 HD12 LEU 22 2.814 1.323 -7.203 172 HD13 LEU 22 HD13 LEU 22 2.580 -0.253 -6.445 173 HD21 LEU 22 HD21 LEU 22 0.979 2.150 -8.841 174 HD22 LEU 22 HD22 LEU 22 -0.204 1.770 -7.593 175 HD23 LEU 22 HD23 LEU 22 -0.365 1.060 -9.194 176 H GLU 23 HN GLU 23 2.675 0.824 -11.360 177 HA GLU 23 HA GLU 23 3.751 -0.810 -13.526 178 HB2 GLU 23 HB3 GLU 23 2.569 1.651 -13.396 179 HB3 GLU 23 HB2 GLU 23 4.272 2.059 -13.271 180 HG2 GLU 23 HG3 GLU 23 2.957 0.475 -15.370 181 HG3 GLU 23 HG2 GLU 23 3.447 2.178 -15.508 182 H ALA 24 HN ALA 24 6.121 -0.412 -13.891 183 HA ALA 24 HA ALA 24 7.752 -0.755 -11.657 184 HB1 ALA 24 HB1 ALA 24 9.630 -0.288 -13.177 185 HB2 ALA 24 HB2 ALA 24 8.499 0.316 -14.386 186 HB3 ALA 24 HB3 ALA 24 8.465 -1.384 -13.908 187 H VAL 25 HN VAL 25 6.954 2.162 -13.500 188 HA VAL 25 HA VAL 25 8.629 3.891 -12.019 189 HB VAL 25 HB VAL 25 7.720 4.509 -14.251 190 HG11 VAL 25 HG11 VAL 25 5.455 5.366 -14.484 191 HG12 VAL 25 HG12 VAL 25 5.136 4.915 -12.808 192 HG13 VAL 25 HG13 VAL 25 5.452 3.655 -14.016 193 HG21 VAL 25 HG21 VAL 25 8.559 6.276 -12.793 194 HG22 VAL 25 HG22 VAL 25 6.931 6.414 -12.097 195 HG23 VAL 25 HG23 VAL 25 7.200 6.843 -13.783 196 H GLU 26 HN GLU 26 5.347 2.837 -11.544 197 HA GLU 26 HA GLU 26 4.642 4.618 -9.455 198 HB2 GLU 26 HB3 GLU 26 3.657 1.901 -10.220 199 HB3 GLU 26 HB2 GLU 26 2.885 2.911 -8.996 200 HG2 GLU 26 HG3 GLU 26 3.324 3.766 -11.822 201 HG3 GLU 26 HG2 GLU 26 1.835 2.943 -11.304 202 H LEU 27 HN LEU 27 5.856 1.300 -9.548 203 HA LEU 27 HA LEU 27 5.950 0.853 -6.829 204 HB2 LEU 27 HB2 LEU 27 7.673 -0.301 -9.025 205 HB3 LEU 27 HB1 LEU 27 7.651 -0.894 -7.376 206 HG LEU 27 HG LEU 27 5.224 -0.870 -9.175 207 HD11 LEU 27 HD11 LEU 27 7.114 -3.135 -8.546 208 HD12 LEU 27 HD12 LEU 27 6.902 -2.337 -10.111 209 HD13 LEU 27 HD13 LEU 27 5.582 -3.270 -9.414 210 HD21 LEU 27 HD21 LEU 27 5.783 -2.245 -6.544 211 HD22 LEU 27 HD22 LEU 27 4.322 -2.424 -7.512 212 HD23 LEU 27 HD23 LEU 27 4.709 -0.865 -6.787 213 H LYS 28 HN LYS 28 8.358 2.113 -9.050 214 HA LYS 28 HA LYS 28 10.504 2.516 -7.355 215 HB2 LYS 28 HB2 LYS 28 10.688 2.776 -9.752 216 HB3 LYS 28 HB1 LYS 28 9.575 4.132 -9.728 217 HG2 LYS 28 HG2 LYS 28 11.216 5.439 -8.450 218 HG3 LYS 28 HG1 LYS 28 12.334 4.078 -8.519 219 HD2 LYS 28 HD2 LYS 28 12.357 4.217 -10.963 220 HD3 LYS 28 HD1 LYS 28 11.206 5.552 -10.904 221 HE2 LYS 28 HE2 LYS 28 13.431 6.427 -11.230 222 HE3 LYS 28 HE1 LYS 28 12.857 6.869 -9.626 223 HZ1 LYS 28 HZ1 LYS 28 14.730 4.649 -10.243 224 HZ2 LYS 28 HZ2 LYS 28 14.178 5.043 -8.706 225 HZ3 LYS 28 HZ3 LYS 28 15.143 6.121 -9.543 226 H LYS 29 HN LYS 29 7.782 4.616 -8.036 227 HA LYS 29 HA LYS 29 8.776 6.752 -6.453 228 HB2 LYS 29 HB2 LYS 29 6.032 6.284 -7.584 229 HB3 LYS 29 HB1 LYS 29 6.535 7.793 -6.825 230 HG2 LYS 29 HG2 LYS 29 8.388 7.922 -8.584 231 HG3 LYS 29 HG1 LYS 29 7.626 6.546 -9.329 232 HD2 LYS 29 HD2 LYS 29 6.145 9.119 -8.869 233 HD3 LYS 29 HD1 LYS 29 7.121 8.833 -10.305 234 HE2 LYS 29 HE2 LYS 29 4.943 8.297 -10.957 235 HE3 LYS 29 HE1 LYS 29 5.691 6.739 -10.625 236 HZ1 LYS 29 HZ1 LYS 29 3.825 8.216 -8.871 237 HZ2 LYS 29 HZ2 LYS 29 4.553 6.716 -8.482 238 HZ3 LYS 29 HZ3 LYS 29 3.519 6.851 -9.810 239 H PHE 30 HN PHE 30 6.515 4.131 -5.826 240 HA PHE 30 HA PHE 30 5.710 5.250 -3.343 241 HB2 PHE 30 HB2 PHE 30 4.050 3.725 -3.469 242 HB3 PHE 30 HB1 PHE 30 4.748 3.186 -4.978 243 HD1 PHE 30 HD1 PHE 30 6.121 1.175 -5.033 244 HD2 PHE 30 HD2 PHE 30 4.167 2.400 -1.474 245 HE1 PHE 30 HE1 PHE 30 6.422 -1.085 -4.093 246 HE2 PHE 30 HE2 PHE 30 4.472 0.169 -0.523 247 HZ PHE 30 HZ PHE 30 5.599 -1.582 -1.827 248 H LYS 31 HN LYS 31 8.179 2.919 -4.268 249 HA LYS 31 HA LYS 31 8.828 2.217 -1.554 250 HB2 LYS 31 HB2 LYS 31 10.710 1.024 -2.441 251 HB3 LYS 31 HB1 LYS 31 9.360 0.745 -3.528 252 HG2 LYS 31 HG2 LYS 31 10.244 2.340 -5.110 253 HG3 LYS 31 HG1 LYS 31 11.537 2.774 -3.996 254 HD2 LYS 31 HD2 LYS 31 12.325 0.412 -4.113 255 HD3 LYS 31 HD1 LYS 31 11.113 0.134 -5.369 256 HE2 LYS 31 HE2 LYS 31 12.158 1.760 -6.800 257 HE3 LYS 31 HE1 LYS 31 13.278 2.216 -5.518 258 HZ1 LYS 31 HZ1 LYS 31 13.118 -0.438 -6.811 259 HZ2 LYS 31 HZ2 LYS 31 14.231 0.034 -5.625 260 HZ3 LYS 31 HZ3 LYS 31 14.261 0.752 -7.150 261 H LEU 32 HN LEU 32 9.915 4.770 -3.703 262 HA LEU 32 HA LEU 32 12.042 5.323 -1.915 263 HB2 LEU 32 HB2 LEU 32 12.502 7.327 -3.206 264 HB3 LEU 32 HB1 LEU 32 12.302 5.960 -4.262 265 HG LEU 32 HG LEU 32 9.884 6.935 -4.625 266 HD11 LEU 32 HD11 LEU 32 11.314 9.393 -3.649 267 HD12 LEU 32 HD12 LEU 32 9.937 8.614 -2.874 268 HD13 LEU 32 HD13 LEU 32 9.749 9.357 -4.461 269 HD21 LEU 32 HD21 LEU 32 11.590 6.787 -6.333 270 HD22 LEU 32 HD22 LEU 32 12.364 8.234 -5.699 271 HD23 LEU 32 HD23 LEU 32 10.760 8.346 -6.442 272 H TYR 33 HN TYR 33 8.784 6.426 -2.353 273 HA TYR 33 HA TYR 33 8.871 8.622 -0.676 274 HB2 TYR 33 HB2 TYR 33 6.979 8.198 -2.176 275 HB3 TYR 33 HB1 TYR 33 6.516 6.801 -1.206 276 HD1 TYR 33 HD2 TYR 33 6.723 10.437 -1.293 277 HD2 TYR 33 HD1 TYR 33 5.405 7.074 0.916 278 HE1 TYR 33 HE2 TYR 33 5.446 11.928 0.212 279 HE2 TYR 33 HE1 TYR 33 4.138 8.513 2.413 280 HH TYR 33 HH TYR 33 4.245 10.873 3.151 281 H LEU 34 HN LEU 34 7.723 5.349 0.149 282 HA LEU 34 HA LEU 34 7.731 6.148 2.935 283 HB2 LEU 34 HB2 LEU 34 6.782 3.904 3.378 284 HB3 LEU 34 HB1 LEU 34 5.852 4.887 2.275 285 HG LEU 34 HG LEU 34 6.858 3.505 0.391 286 HD11 LEU 34 HD11 LEU 34 8.716 2.484 1.580 287 HD12 LEU 34 HD12 LEU 34 7.625 1.260 0.931 288 HD13 LEU 34 HD13 LEU 34 7.589 1.651 2.651 289 HD21 LEU 34 HD21 LEU 34 5.235 1.729 0.692 290 HD22 LEU 34 HD22 LEU 34 4.571 3.298 1.168 291 HD23 LEU 34 HD23 LEU 34 5.085 2.145 2.399 292 H GLY 35 HN GLY 35 9.904 4.586 0.842 293 HA2 GLY 35 HA3 GLY 35 11.044 3.113 2.984 294 HA3 GLY 35 HA2 GLY 35 11.629 3.092 1.320 295 H THR 36 HN THR 36 11.900 6.001 1.165 296 HA THR 36 HA THR 36 14.397 6.206 2.735 297 HB THR 36 HB THR 36 15.120 7.980 1.212 298 HG1 THR 36 HG1 THR 36 12.516 7.735 0.028 299 HG21 THR 36 HG21 THR 36 15.483 5.686 0.415 300 HG22 THR 36 HG22 THR 36 15.137 6.763 -0.946 301 HG23 THR 36 HG23 THR 36 13.888 5.693 -0.337 302 H ALA 37 HN ALA 37 11.368 6.934 3.207 303 HA ALA 37 HA ALA 37 11.097 9.659 3.613 304 HB1 ALA 37 HB1 ALA 37 9.154 9.116 4.937 305 HB2 ALA 37 HB2 ALA 37 9.684 7.435 5.031 306 HB3 ALA 37 HB3 ALA 37 9.229 8.130 3.477 307 H THR 38 HN THR 38 12.358 10.837 4.831 308 HA THR 38 HA THR 38 13.285 9.883 7.390 309 HB THR 38 HB THR 38 13.638 12.633 6.154 310 HG1 THR 38 HG1 THR 38 14.360 10.363 5.107 311 HG21 THR 38 HG21 THR 38 15.704 12.655 7.497 312 HG22 THR 38 HG22 THR 38 15.349 11.028 8.079 313 HG23 THR 38 HG23 THR 38 14.305 12.371 8.536 314 H GLU 39 HN GLU 39 10.668 11.466 6.035 315 HA GLU 39 HA GLU 39 9.655 12.868 8.299 316 HB2 GLU 39 HB3 GLU 39 7.500 12.824 7.059 317 HB3 GLU 39 HB2 GLU 39 8.826 13.375 6.050 318 HG2 GLU 39 HG3 GLU 39 8.946 11.229 4.959 319 HG3 GLU 39 HG2 GLU 39 7.741 10.562 6.046 320 H LEU 40 HN LEU 40 9.671 9.630 7.175 321 HA LEU 40 HA LEU 40 7.581 8.665 8.918 322 HB2 LEU 40 HB2 LEU 40 8.059 7.795 6.615 323 HB3 LEU 40 HB1 LEU 40 9.576 7.176 7.221 324 HG LEU 40 HG LEU 40 8.261 5.761 8.792 325 HD11 LEU 40 HD11 LEU 40 6.149 7.011 8.716 326 HD12 LEU 40 HD12 LEU 40 5.914 5.335 8.210 327 HD13 LEU 40 HD13 LEU 40 5.999 6.617 7.000 328 HD21 LEU 40 HD21 LEU 40 9.270 4.885 6.784 329 HD22 LEU 40 HD22 LEU 40 7.867 5.384 5.838 330 HD23 LEU 40 HD23 LEU 40 7.704 4.125 7.057 331 H GLY 41 HN GLY 41 11.099 8.554 8.581 332 HA2 GLY 41 HA3 GLY 41 11.639 8.640 11.270 333 HA3 GLY 41 HA2 GLY 41 11.621 6.945 10.791 334 H GLU 42 HN GLU 42 13.552 6.296 10.512 335 HA GLU 42 HA GLU 42 15.748 7.879 9.519 336 HB2 GLU 42 HB3 GLU 42 15.778 4.886 9.297 337 HB3 GLU 42 HB2 GLU 42 17.049 5.953 9.838 338 HG2 GLU 42 HG3 GLU 42 16.516 4.692 11.726 339 HG3 GLU 42 HG2 GLU 42 15.644 6.194 12.001 340 H GLY 43 HN GLY 43 13.743 5.261 8.528 341 HA2 GLY 43 HA3 GLY 43 12.901 5.757 6.175 342 HA3 GLY 43 HA2 GLY 43 14.471 4.924 5.941 343 H LYS 44 HN LYS 44 13.290 3.092 5.535 344 HA LYS 44 HA LYS 44 12.985 1.506 7.977 345 HB2 LYS 44 HB2 LYS 44 10.758 1.683 5.943 346 HB3 LYS 44 HB1 LYS 44 10.881 0.376 7.100 347 HG2 LYS 44 HG2 LYS 44 10.855 3.175 8.109 348 HG3 LYS 44 HG1 LYS 44 9.358 2.501 7.491 349 HD2 LYS 44 HD2 LYS 44 9.367 2.138 9.882 350 HD3 LYS 44 HD1 LYS 44 9.691 0.584 9.142 351 HE2 LYS 44 HE2 LYS 44 11.119 0.868 11.065 352 HE3 LYS 44 HE1 LYS 44 12.121 0.910 9.627 353 HZ1 LYS 44 HZ1 LYS 44 11.200 3.280 11.172 354 HZ2 LYS 44 HZ2 LYS 44 12.175 3.338 9.803 355 HZ3 LYS 44 HZ3 LYS 44 12.767 2.679 11.200 356 H ILE 45 HN ILE 45 12.944 1.556 4.517 357 HA ILE 45 HA ILE 45 13.319 -1.252 4.197 358 HB ILE 45 HB ILE 45 13.670 0.964 2.174 359 HG12 ILE 45 HG12 ILE 45 11.434 1.021 3.233 360 HG13 ILE 45 HG11 ILE 45 11.347 0.566 1.535 361 HG21 ILE 45 HG21 ILE 45 13.123 -0.825 0.558 362 HG22 ILE 45 HG22 ILE 45 13.186 -1.996 1.873 363 HG23 ILE 45 HG23 ILE 45 14.644 -1.110 1.411 364 HD11 ILE 45 HD11 ILE 45 11.142 -1.296 3.901 365 HD12 ILE 45 HD12 ILE 45 11.196 -1.726 2.185 366 HD13 ILE 45 HD13 ILE 45 9.835 -0.783 2.803 367 HA PRO 46 HA PRO 46 17.762 -1.155 4.618 368 HB2 PRO 46 HB2 PRO 46 18.254 -3.674 3.670 369 HB3 PRO 46 HB1 PRO 46 17.711 -3.336 5.313 370 HG2 PRO 46 HG2 PRO 46 16.161 -4.272 2.954 371 HG3 PRO 46 HG1 PRO 46 15.989 -4.724 4.660 372 HD2 PRO 46 HD2 PRO 46 14.347 -2.972 3.373 373 HD3 PRO 46 HD1 PRO 46 14.661 -2.914 5.118 374 H TRP 47 HN TRP 47 18.950 -0.078 3.339 375 HA TRP 47 HA TRP 47 19.452 1.079 1.478 376 HB2 TRP 47 HB2 TRP 47 21.552 0.021 0.624 377 HB3 TRP 47 HB1 TRP 47 21.420 0.175 2.361 378 HD1 TRP 47 HD1 TRP 47 21.827 -2.394 -0.379 379 HE1 TRP 47 HE1 TRP 47 22.204 -4.715 0.657 380 HE3 TRP 47 HE3 TRP 47 20.794 -1.284 4.506 381 HZ2 TRP 47 HZ2 TRP 47 22.086 -5.921 3.205 382 HZ3 TRP 47 HZ3 TRP 47 20.957 -3.084 6.181 383 HH2 TRP 47 HH2 TRP 47 21.589 -5.350 5.540 384 H GLY 48 HN GLY 48 19.451 -2.118 0.100 385 HA2 GLY 48 HA3 GLY 48 18.145 -0.932 -2.263 386 HA3 GLY 48 HA2 GLY 48 19.642 -1.821 -2.476 387 H SER 49 HN SER 49 17.402 -2.985 -0.096 388 HA SER 49 HA SER 49 17.133 -5.435 -1.446 389 HB2 SER 49 HB2 SER 49 15.481 -4.282 0.795 390 HB3 SER 49 HB1 SER 49 15.597 -5.988 0.345 391 HG SER 49 HG SER 49 17.054 -5.851 1.860 392 H MET 50 HN MET 50 15.368 -2.485 -1.547 393 HA MET 50 HA MET 50 13.106 -3.742 -2.800 394 HB2 MET 50 HB2 MET 50 12.180 -1.368 -2.983 395 HB3 MET 50 HB1 MET 50 12.346 -2.064 -1.388 396 HG2 MET 50 HG2 MET 50 12.974 0.245 -1.370 397 HG3 MET 50 HG1 MET 50 14.338 -0.773 -1.002 398 HE1 MET 50 HE1 MET 50 15.945 1.359 -1.395 399 HE2 MET 50 HE2 MET 50 14.542 2.342 -1.825 400 HE3 MET 50 HE3 MET 50 15.958 2.310 -2.881 401 H GLU 51 HN GLU 51 15.952 -3.198 -3.966 402 HA GLU 51 HA GLU 51 15.244 -1.959 -6.465 403 HB2 GLU 51 HB3 GLU 51 17.718 -3.313 -5.462 404 HB3 GLU 51 HB2 GLU 51 17.573 -2.728 -7.116 405 HG2 GLU 51 HG3 GLU 51 17.241 -0.470 -6.309 406 HG3 GLU 51 HG2 GLU 51 17.250 -1.041 -4.642 407 H LYS 52 HN LYS 52 15.938 -5.191 -5.330 408 HA LYS 52 HA LYS 52 15.240 -6.324 -7.893 409 HB2 LYS 52 HB2 LYS 52 15.647 -8.544 -6.774 410 HB3 LYS 52 HB1 LYS 52 17.019 -7.464 -6.767 411 HG2 LYS 52 HG2 LYS 52 16.948 -8.564 -4.646 412 HG3 LYS 52 HG1 LYS 52 16.463 -6.881 -4.417 413 HD2 LYS 52 HD2 LYS 52 14.130 -7.528 -4.277 414 HD3 LYS 52 HD1 LYS 52 14.529 -9.193 -4.658 415 HE2 LYS 52 HE2 LYS 52 15.471 -7.721 -2.194 416 HE3 LYS 52 HE1 LYS 52 14.048 -8.753 -2.242 417 HZ1 LYS 52 HZ1 LYS 52 16.863 -9.615 -2.706 418 HZ2 LYS 52 HZ2 LYS 52 15.506 -10.596 -2.886 419 HZ3 LYS 52 HZ3 LYS 52 15.885 -9.979 -1.375 420 H ALA 53 HN ALA 53 13.577 -5.133 -5.417 421 HA ALA 53 HA ALA 53 11.656 -7.182 -4.983 422 HB1 ALA 53 HB1 ALA 53 10.595 -5.633 -3.465 423 HB2 ALA 53 HB2 ALA 53 11.619 -4.329 -4.060 424 HB3 ALA 53 HB3 ALA 53 12.337 -5.689 -3.188 425 H GLY 54 HN GLY 54 9.897 -7.544 -6.036 426 HA2 GLY 54 HA3 GLY 54 8.751 -5.445 -7.708 427 HA3 GLY 54 HA2 GLY 54 8.589 -7.197 -7.945 428 HA PRO 55 HA PRO 55 4.816 -5.581 -5.679 429 HB2 PRO 55 HB2 PRO 55 3.823 -7.993 -7.093 430 HB3 PRO 55 HB1 PRO 55 3.054 -6.414 -6.897 431 HG2 PRO 55 HG2 PRO 55 4.153 -7.107 -9.222 432 HG3 PRO 55 HG1 PRO 55 4.297 -5.451 -8.606 433 HD2 PRO 55 HD2 PRO 55 6.350 -7.626 -8.670 434 HD3 PRO 55 HD1 PRO 55 6.544 -5.873 -8.851 435 H LEU 56 HN LEU 56 5.977 -8.879 -6.141 436 HA LEU 56 HA LEU 56 4.696 -10.035 -3.858 437 HB2 LEU 56 HB2 LEU 56 5.449 -11.365 -5.762 438 HB3 LEU 56 HB1 LEU 56 7.102 -10.895 -5.444 439 HG LEU 56 HG LEU 56 7.022 -12.122 -3.311 440 HD11 LEU 56 HD11 LEU 56 4.644 -11.998 -2.860 441 HD12 LEU 56 HD12 LEU 56 5.170 -13.683 -2.901 442 HD13 LEU 56 HD13 LEU 56 4.302 -12.993 -4.273 443 HD21 LEU 56 HD21 LEU 56 6.286 -13.709 -5.762 444 HD22 LEU 56 HD22 LEU 56 7.079 -14.354 -4.322 445 HD23 LEU 56 HD23 LEU 56 7.898 -13.150 -5.324 446 H GLU 57 HN GLU 57 8.049 -9.031 -4.438 447 HA GLU 57 HA GLU 57 8.908 -9.607 -1.827 448 HB2 GLU 57 HB3 GLU 57 10.066 -7.739 -3.872 449 HB3 GLU 57 HB2 GLU 57 10.877 -8.133 -2.374 450 HG2 GLU 57 HG3 GLU 57 11.864 -9.414 -4.122 451 HG3 GLU 57 HG2 GLU 57 10.909 -10.518 -3.137 452 H MET 58 HN MET 58 7.667 -6.711 -3.345 453 HA MET 58 HA MET 58 8.140 -4.892 -1.256 454 HB2 MET 58 HB2 MET 58 5.968 -4.948 -3.341 455 HB3 MET 58 HB1 MET 58 6.218 -3.600 -2.245 456 HG2 MET 58 HG2 MET 58 8.353 -4.647 -4.034 457 HG3 MET 58 HG1 MET 58 7.231 -3.406 -4.606 458 HE1 MET 58 HE1 MET 58 10.174 -2.935 -4.939 459 HE2 MET 58 HE2 MET 58 10.442 -1.361 -4.192 460 HE3 MET 58 HE3 MET 58 9.000 -1.636 -5.168 461 H ALA 59 HN ALA 59 5.375 -7.014 -1.893 462 HA ALA 59 HA ALA 59 3.760 -6.144 0.230 463 HB1 ALA 59 HB1 ALA 59 2.595 -8.254 -0.014 464 HB2 ALA 59 HB2 ALA 59 3.948 -8.938 -0.921 465 HB3 ALA 59 HB3 ALA 59 2.996 -7.620 -1.608 466 H GLN 60 HN GLN 60 6.258 -8.621 0.078 467 HA GLN 60 HA GLN 60 5.927 -9.410 2.801 468 HB2 GLN 60 HB2 GLN 60 8.319 -9.856 1.011 469 HB3 GLN 60 HB1 GLN 60 7.963 -10.709 2.504 470 HG2 GLN 60 HG2 GLN 60 5.815 -11.469 1.378 471 HG3 GLN 60 HG1 GLN 60 6.500 -10.834 -0.100 472 HE21 GLN 60 HE21 GLN 60 8.390 -12.429 2.392 473 HE22 GLN 60 HE22 GLN 60 8.795 -13.820 1.474 474 H LEU 61 HN LEU 61 7.931 -7.175 1.099 475 HA LEU 61 HA LEU 61 9.835 -6.435 2.986 476 HB2 LEU 61 HB2 LEU 61 9.559 -5.851 0.510 477 HB3 LEU 61 HB1 LEU 61 8.430 -4.630 1.033 478 HG LEU 61 HG LEU 61 10.314 -3.585 2.326 479 HD11 LEU 61 HD11 LEU 61 11.773 -5.575 2.421 480 HD12 LEU 61 HD12 LEU 61 12.580 -4.206 1.647 481 HD13 LEU 61 HD13 LEU 61 11.911 -5.508 0.661 482 HD21 LEU 61 HD21 LEU 61 10.581 -3.869 -0.663 483 HD22 LEU 61 HD22 LEU 61 11.293 -2.587 0.315 484 HD23 LEU 61 HD23 LEU 61 9.540 -2.728 0.191 485 H LEU 62 HN LEU 62 6.764 -4.819 2.153 486 HA LEU 62 HA LEU 62 6.686 -2.968 4.205 487 HB2 LEU 62 HB2 LEU 62 4.491 -4.260 2.607 488 HB3 LEU 62 HB1 LEU 62 4.161 -3.143 3.880 489 HG LEU 62 HG LEU 62 5.017 -1.291 2.704 490 HD11 LEU 62 HD11 LEU 62 6.160 -3.183 0.703 491 HD12 LEU 62 HD12 LEU 62 7.061 -2.258 1.908 492 HD13 LEU 62 HD13 LEU 62 6.191 -1.410 0.610 493 HD21 LEU 62 HD21 LEU 62 3.770 -1.339 0.620 494 HD22 LEU 62 HD22 LEU 62 2.864 -2.068 1.953 495 HD23 LEU 62 HD23 LEU 62 3.645 -3.094 0.754 496 H ILE 63 HN ILE 63 5.322 -6.236 4.037 497 HA ILE 63 HA ILE 63 3.957 -6.092 6.500 498 HB ILE 63 HB ILE 63 3.899 -7.865 4.459 499 HG12 ILE 63 HG12 ILE 63 2.199 -7.545 6.222 500 HG13 ILE 63 HG11 ILE 63 2.348 -9.218 5.719 501 HG21 ILE 63 HG21 ILE 63 6.014 -8.924 4.960 502 HG22 ILE 63 HG22 ILE 63 4.689 -10.080 5.142 503 HG23 ILE 63 HG23 ILE 63 5.440 -9.356 6.567 504 HD11 ILE 63 HD11 ILE 63 3.664 -9.662 7.751 505 HD12 ILE 63 HD12 ILE 63 2.045 -9.060 8.113 506 HD13 ILE 63 HD13 ILE 63 3.439 -7.983 8.241 507 H THR 64 HN THR 64 7.278 -6.794 5.792 508 HA THR 64 HA THR 64 7.876 -7.914 8.348 509 HB THR 64 HB THR 64 9.730 -6.803 6.229 510 HG1 THR 64 HG1 THR 64 8.555 -8.485 5.416 511 HG21 THR 64 HG21 THR 64 10.824 -7.021 8.434 512 HG22 THR 64 HG22 THR 64 11.449 -8.210 7.292 513 HG23 THR 64 HG23 THR 64 10.292 -8.701 8.528 514 H HIS 65 HN HIS 65 8.299 -4.735 6.856 515 HA HIS 65 HA HIS 65 9.631 -3.730 9.218 516 HB2 HIS 65 HB2 HIS 65 8.822 -2.253 6.712 517 HB3 HIS 65 HB1 HIS 65 9.745 -1.554 8.038 518 HD1 HIS 65 HD1 HIS 65 12.208 -2.660 8.432 519 HD2 HIS 65 HD2 HIS 65 10.235 -3.640 4.912 520 HE1 HIS 65 HE1 HIS 65 13.921 -3.734 6.955 521 H PHE 66 HN PHE 66 6.559 -3.140 7.616 522 HA PHE 66 HA PHE 66 5.749 -1.315 9.683 523 HB2 PHE 66 HB2 PHE 66 4.326 -2.286 7.200 524 HB3 PHE 66 HB1 PHE 66 3.768 -0.976 8.263 525 HD1 PHE 66 HD2 PHE 66 5.389 0.893 8.683 526 HD2 PHE 66 HD1 PHE 66 5.733 -1.841 5.481 527 HE1 PHE 66 HE2 PHE 66 6.906 2.443 7.545 528 HE2 PHE 66 HE1 PHE 66 7.260 -0.316 4.307 529 HZ PHE 66 HZ PHE 66 7.857 1.821 5.338 530 H GLY 67 HN GLY 67 4.263 -4.256 8.359 531 HA2 GLY 67 HA3 GLY 67 3.739 -5.866 10.322 532 HA3 GLY 67 HA2 GLY 67 2.744 -4.501 10.845 533 HA PRO 68 HA PRO 68 0.535 -7.206 7.680 534 HB2 PRO 68 HB2 PRO 68 -1.666 -7.764 9.213 535 HB3 PRO 68 HB1 PRO 68 -0.238 -8.800 9.119 536 HG2 PRO 68 HG2 PRO 68 -0.978 -6.787 11.205 537 HG3 PRO 68 HG1 PRO 68 -0.276 -8.397 11.410 538 HD2 PRO 68 HD2 PRO 68 1.209 -6.155 11.565 539 HD3 PRO 68 HD1 PRO 68 1.863 -7.660 10.896 540 H GLU 69 HN GLU 69 -1.224 -5.186 10.047 541 HA GLU 69 HA GLU 69 -3.140 -4.306 8.178 542 HB2 GLU 69 HB3 GLU 69 -2.383 -3.033 10.778 543 HB3 GLU 69 HB2 GLU 69 -3.871 -2.826 9.886 544 HG2 GLU 69 HG3 GLU 69 -2.951 -5.389 11.154 545 HG3 GLU 69 HG2 GLU 69 -4.123 -4.216 11.752 546 H GLU 70 HN GLU 70 -0.177 -3.111 9.575 547 HA GLU 70 HA GLU 70 -0.303 -0.423 8.697 548 HB2 GLU 70 HB3 GLU 70 1.041 -1.533 10.618 549 HB3 GLU 70 HB2 GLU 70 2.250 -1.818 9.380 550 HG2 GLU 70 HG3 GLU 70 2.756 0.208 10.583 551 HG3 GLU 70 HG2 GLU 70 2.310 0.605 8.923 552 H ALA 71 HN ALA 71 1.214 -3.327 7.304 553 HA ALA 71 HA ALA 71 2.672 -2.096 5.205 554 HB1 ALA 71 HB1 ALA 71 1.268 -4.764 5.234 555 HB2 ALA 71 HB2 ALA 71 2.889 -4.452 5.848 556 HB3 ALA 71 HB3 ALA 71 2.553 -4.272 4.130 557 H TRP 72 HN TRP 72 -0.620 -3.340 5.373 558 HA TRP 72 HA TRP 72 -1.358 -2.792 2.750 559 HB2 TRP 72 HB2 TRP 72 -2.768 -4.219 4.084 560 HB3 TRP 72 HB1 TRP 72 -3.028 -2.943 5.271 561 HD1 TRP 72 HD1 TRP 72 -5.488 -2.206 5.064 562 HE1 TRP 72 HE1 TRP 72 -7.073 -1.607 3.114 563 HE3 TRP 72 HE3 TRP 72 -2.418 -3.282 1.231 564 HZ2 TRP 72 HZ2 TRP 72 -6.982 -1.622 0.315 565 HZ3 TRP 72 HZ3 TRP 72 -3.214 -3.041 -1.092 566 HH2 TRP 72 HH2 TRP 72 -5.465 -2.188 -1.541 567 H ARG 73 HN ARG 73 -1.706 -0.947 5.660 568 HA ARG 73 HA ARG 73 -3.002 1.206 4.576 569 HB2 ARG 73 HB2 ARG 73 -2.900 0.795 6.958 570 HB3 ARG 73 HB1 ARG 73 -1.166 1.041 6.957 571 HG2 ARG 73 HG2 ARG 73 -1.545 3.413 6.360 572 HG3 ARG 73 HG1 ARG 73 -3.286 3.127 6.490 573 HD2 ARG 73 HD2 ARG 73 -3.010 2.412 8.792 574 HD3 ARG 73 HD1 ARG 73 -1.273 2.658 8.672 575 HE ARG 73 HE ARG 73 -3.066 4.909 8.217 576 HH11 ARG 73 HH11 ARG 73 -0.439 3.419 10.104 577 HH12 ARG 73 HH12 ARG 73 -0.313 4.713 11.198 578 HH21 ARG 73 HH21 ARG 73 -2.896 6.681 9.745 579 HH22 ARG 73 HH22 ARG 73 -1.752 6.605 11.004 580 H LEU 74 HN LEU 74 0.456 0.683 5.191 581 HA LEU 74 HA LEU 74 1.476 3.086 4.256 582 HB2 LEU 74 HB2 LEU 74 2.533 0.427 4.833 583 HB3 LEU 74 HB1 LEU 74 3.441 1.291 3.614 584 HG LEU 74 HG LEU 74 4.325 1.509 5.936 585 HD11 LEU 74 HD11 LEU 74 3.475 4.049 4.561 586 HD12 LEU 74 HD12 LEU 74 4.951 3.109 4.285 587 HD13 LEU 74 HD13 LEU 74 4.710 3.924 5.818 588 HD21 LEU 74 HD21 LEU 74 3.217 2.990 7.505 589 HD22 LEU 74 HD22 LEU 74 2.164 1.621 7.116 590 HD23 LEU 74 HD23 LEU 74 1.864 3.197 6.392 591 H ALA 75 HN ALA 75 0.612 0.207 2.427 592 HA ALA 75 HA ALA 75 1.782 1.113 0.007 593 HB1 ALA 75 HB1 ALA 75 -0.510 -0.793 0.395 594 HB2 ALA 75 HB2 ALA 75 1.208 -1.228 0.314 595 HB3 ALA 75 HB3 ALA 75 0.396 -0.544 -1.095 596 H LEU 76 HN LEU 76 -1.620 1.063 1.070 597 HA LEU 76 HA LEU 76 -2.503 2.425 -1.220 598 HB2 LEU 76 HB2 LEU 76 -4.687 2.570 -0.212 599 HB3 LEU 76 HB1 LEU 76 -4.003 0.999 0.110 600 HG LEU 76 HG LEU 76 -3.385 2.059 2.431 601 HD11 LEU 76 HD11 LEU 76 -5.067 3.681 3.207 602 HD12 LEU 76 HD12 LEU 76 -5.695 3.775 1.557 603 HD13 LEU 76 HD13 LEU 76 -4.063 4.342 1.909 604 HD21 LEU 76 HD21 LEU 76 -5.526 1.322 3.324 605 HD22 LEU 76 HD22 LEU 76 -4.880 0.206 2.126 606 HD23 LEU 76 HD23 LEU 76 -6.192 1.304 1.690 607 H SER 77 HN SER 77 -1.515 3.643 1.895 608 HA SER 77 HA SER 77 -2.489 6.275 1.459 609 HB2 SER 77 HB2 SER 77 -1.259 6.801 3.526 610 HB3 SER 77 HB1 SER 77 -2.124 5.248 3.629 611 HG SER 77 HG SER 77 -0.364 4.171 3.653 612 H THR 78 HN THR 78 0.281 4.578 0.376 613 HA THR 78 HA THR 78 1.685 7.029 -0.208 614 HB THR 78 HB THR 78 2.459 4.134 -0.658 615 HG1 THR 78 HG1 THR 78 2.727 4.325 1.385 616 HG21 THR 78 HG21 THR 78 4.735 5.012 -1.024 617 HG22 THR 78 HG22 THR 78 4.123 6.658 -0.883 618 HG23 THR 78 HG23 THR 78 3.617 5.645 -2.231 619 H PHE 79 HN PHE 79 -0.440 4.741 -1.664 620 HA PHE 79 HA PHE 79 0.179 5.080 -4.346 621 HB2 PHE 79 HB2 PHE 79 -2.486 4.575 -3.023 622 HB3 PHE 79 HB1 PHE 79 -2.297 4.589 -4.776 623 HD1 PHE 79 HD2 PHE 79 0.595 3.144 -4.269 624 HD2 PHE 79 HD1 PHE 79 -3.466 2.381 -3.240 625 HE1 PHE 79 HE2 PHE 79 1.082 0.768 -4.110 626 HE2 PHE 79 HE1 PHE 79 -2.979 -0.016 -3.081 627 HZ PHE 79 HZ PHE 79 -0.699 -0.834 -3.522 628 H GLU 80 HN GLU 80 -2.120 6.865 -2.297 629 HA GLU 80 HA GLU 80 -2.957 8.735 -4.218 630 HB2 GLU 80 HB3 GLU 80 -3.686 10.136 -2.307 631 HB3 GLU 80 HB2 GLU 80 -4.168 8.458 -2.119 632 HG2 GLU 80 HG3 GLU 80 -2.533 8.061 -0.503 633 HG3 GLU 80 HG2 GLU 80 -1.678 9.553 -0.892 634 H ARG 81 HN ARG 81 -0.221 8.722 -2.076 635 HA ARG 81 HA ARG 81 0.654 11.382 -2.318 636 HB2 ARG 81 HB2 ARG 81 2.184 8.869 -1.719 637 HB3 ARG 81 HB1 ARG 81 2.833 10.489 -1.546 638 HG2 ARG 81 HG2 ARG 81 0.354 9.612 -0.097 639 HG3 ARG 81 HG1 ARG 81 1.971 9.306 0.518 640 HD2 ARG 81 HD2 ARG 81 1.072 11.301 1.531 641 HD3 ARG 81 HD1 ARG 81 2.439 11.687 0.496 642 HE ARG 81 HE ARG 81 -0.236 12.026 -0.622 643 HH11 ARG 81 HH11 ARG 81 2.597 13.523 0.875 644 HH12 ARG 81 HH12 ARG 81 2.245 15.099 0.390 645 HH21 ARG 81 HH21 ARG 81 -0.784 14.140 -1.282 646 HH22 ARG 81 HH22 ARG 81 0.200 15.477 -0.939 647 H ILE 82 HN ILE 82 1.383 8.453 -4.121 648 HA ILE 82 HA ILE 82 3.223 9.903 -5.821 649 HB ILE 82 HB ILE 82 3.743 7.741 -6.861 650 HG12 ILE 82 HG12 ILE 82 1.802 6.518 -4.880 651 HG13 ILE 82 HG11 ILE 82 1.426 6.755 -6.588 652 HG21 ILE 82 HG21 ILE 82 4.963 8.429 -4.878 653 HG22 ILE 82 HG22 ILE 82 4.745 6.675 -4.867 654 HG23 ILE 82 HG23 ILE 82 3.734 7.700 -3.845 655 HD11 ILE 82 HD11 ILE 82 3.249 5.223 -7.151 656 HD12 ILE 82 HD12 ILE 82 2.053 4.474 -6.090 657 HD13 ILE 82 HD13 ILE 82 3.594 5.027 -5.432 658 H ASN 83 HN ASN 83 0.228 10.263 -5.800 659 HA ASN 83 HA ASN 83 -1.347 10.974 -7.267 660 HB2 ASN 83 HB3 ASN 83 0.660 12.010 -8.427 661 HB3 ASN 83 HB2 ASN 83 0.720 10.591 -9.453 662 HD21 ASN 83 HD21 ASN 83 -2.246 12.250 -8.408 663 HD22 ASN 83 HD22 ASN 83 -2.701 12.779 -9.974 664 H ARG 84 HN ARG 84 -0.965 8.221 -6.620 665 HA ARG 84 HA ARG 84 -2.401 7.005 -8.847 666 HB2 ARG 84 HB2 ARG 84 -0.252 5.953 -8.283 667 HB3 ARG 84 HB1 ARG 84 -0.746 5.795 -6.615 668 HG2 ARG 84 HG2 ARG 84 -0.809 3.693 -7.987 669 HG3 ARG 84 HG1 ARG 84 -2.292 4.083 -7.118 670 HD2 ARG 84 HD2 ARG 84 -2.702 3.305 -9.406 671 HD3 ARG 84 HD1 ARG 84 -3.285 4.940 -9.087 672 HE ARG 84 HE ARG 84 -0.645 4.929 -10.201 673 HH11 ARG 84 HH11 ARG 84 -4.011 4.434 -11.172 674 HH12 ARG 84 HH12 ARG 84 -3.891 5.200 -12.676 675 HH21 ARG 84 HH21 ARG 84 -0.426 5.991 -12.307 676 HH22 ARG 84 HH22 ARG 84 -1.767 6.089 -13.356 677 H LYS 85 HN LYS 85 -4.025 8.501 -7.785 678 HA LYS 85 HA LYS 85 -4.982 7.834 -5.170 679 HB2 LYS 85 HB2 LYS 85 -4.933 10.161 -6.051 680 HB3 LYS 85 HB1 LYS 85 -6.131 9.708 -7.255 681 HG2 LYS 85 HG2 LYS 85 -7.730 9.221 -5.465 682 HG3 LYS 85 HG1 LYS 85 -6.517 9.669 -4.266 683 HD2 LYS 85 HD2 LYS 85 -7.965 11.542 -4.525 684 HD3 LYS 85 HD1 LYS 85 -6.454 11.947 -5.335 685 HE2 LYS 85 HE2 LYS 85 -8.279 12.656 -6.713 686 HE3 LYS 85 HE1 LYS 85 -7.505 11.285 -7.497 687 HZ1 LYS 85 HZ1 LYS 85 -10.006 11.199 -5.898 688 HZ2 LYS 85 HZ2 LYS 85 -9.345 9.850 -6.667 689 HZ3 LYS 85 HZ3 LYS 85 -9.916 11.140 -7.563 690 H ASP 86 HN ASP 86 -5.565 6.994 -8.420 691 HA ASP 86 HA ASP 86 -8.213 6.253 -8.362 692 HB2 ASP 86 HB2 ASP 86 -6.983 6.457 -10.445 693 HB3 ASP 86 HB1 ASP 86 -5.934 5.127 -10.000 694 H LEU 87 HN LEU 87 -5.293 4.339 -7.905 695 HA LEU 87 HA LEU 87 -6.612 1.897 -7.238 696 HB2 LEU 87 HB2 LEU 87 -4.266 2.236 -8.214 697 HB3 LEU 87 HB1 LEU 87 -3.798 2.673 -6.579 698 HG LEU 87 HG LEU 87 -4.458 0.482 -5.817 699 HD11 LEU 87 HD11 LEU 87 -4.846 -0.016 -8.774 700 HD12 LEU 87 HD12 LEU 87 -6.096 -0.103 -7.529 701 HD13 LEU 87 HD13 LEU 87 -4.790 -1.285 -7.555 702 HD21 LEU 87 HD21 LEU 87 -2.544 -0.675 -6.819 703 HD22 LEU 87 HD22 LEU 87 -2.185 0.998 -6.374 704 HD23 LEU 87 HD23 LEU 87 -2.477 0.583 -8.060 705 H TRP 88 HN TRP 88 -5.488 4.663 -5.532 706 HA TRP 88 HA TRP 88 -5.410 3.644 -2.917 707 HB2 TRP 88 HB2 TRP 88 -4.374 5.724 -3.426 708 HB3 TRP 88 HB1 TRP 88 -5.847 6.373 -4.088 709 HD1 TRP 88 HD1 TRP 88 -4.454 5.346 -0.628 710 HE1 TRP 88 HE1 TRP 88 -5.577 6.859 1.159 711 HE3 TRP 88 HE3 TRP 88 -7.683 7.852 -3.613 712 HZ2 TRP 88 HZ2 TRP 88 -7.572 8.823 1.252 713 HZ3 TRP 88 HZ3 TRP 88 -9.170 9.532 -2.616 714 HH2 TRP 88 HH2 TRP 88 -9.111 10.006 -0.246 715 H GLU 89 HN GLU 89 -7.968 5.331 -4.717 716 HA GLU 89 HA GLU 89 -10.034 5.160 -2.835 717 HB2 GLU 89 HB3 GLU 89 -10.145 5.192 -5.852 718 HB3 GLU 89 HB2 GLU 89 -11.551 5.360 -4.817 719 HG2 GLU 89 HG3 GLU 89 -10.637 7.429 -3.901 720 HG3 GLU 89 HG2 GLU 89 -9.192 7.227 -4.894 721 H ARG 90 HN ARG 90 -8.872 2.895 -5.177 722 HA ARG 90 HA ARG 90 -10.943 0.946 -4.903 723 HB2 ARG 90 HB2 ARG 90 -8.123 0.732 -5.953 724 HB3 ARG 90 HB1 ARG 90 -9.284 -0.583 -5.991 725 HG2 ARG 90 HG2 ARG 90 -10.718 0.670 -7.463 726 HG3 ARG 90 HG1 ARG 90 -9.662 2.075 -7.344 727 HD2 ARG 90 HD2 ARG 90 -9.368 0.739 -9.423 728 HD3 ARG 90 HD1 ARG 90 -7.894 0.924 -8.477 729 HE ARG 90 HE ARG 90 -9.203 -1.469 -7.770 730 HH11 ARG 90 HH11 ARG 90 -7.492 -0.130 -10.583 731 HH12 ARG 90 HH12 ARG 90 -6.793 -1.602 -11.025 732 HH21 ARG 90 HH21 ARG 90 -8.233 -3.481 -8.381 733 HH22 ARG 90 HH22 ARG 90 -7.144 -3.538 -9.727 734 H GLY 91 HN GLY 91 -7.912 1.585 -3.337 735 HA2 GLY 91 HA3 GLY 91 -7.533 -0.934 -2.082 736 HA3 GLY 91 HA2 GLY 91 -6.681 0.560 -1.737 737 H GLN 92 HN GLN 92 -8.347 2.229 -0.673 738 HA GLN 92 HA GLN 92 -8.742 1.055 1.886 739 HB2 GLN 92 HB2 GLN 92 -9.650 3.279 2.573 740 HB3 GLN 92 HB1 GLN 92 -8.047 3.339 1.861 741 HG2 GLN 92 HG2 GLN 92 -8.970 4.157 -0.222 742 HG3 GLN 92 HG1 GLN 92 -10.604 3.990 0.413 743 HE21 GLN 92 HE21 GLN 92 -7.950 5.141 2.349 744 HE22 GLN 92 HE22 GLN 92 -8.499 6.757 2.485 745 H ARG 93 HN ARG 93 -10.066 -0.334 2.165 746 HA ARG 93 HA ARG 93 -12.898 0.230 1.649 747 HB2 ARG 93 HB2 ARG 93 -11.947 -1.060 -0.256 748 HB3 ARG 93 HB1 ARG 93 -11.542 -2.352 0.861 749 HG2 ARG 93 HG2 ARG 93 -13.560 -2.842 -0.372 750 HG3 ARG 93 HG1 ARG 93 -13.904 -2.667 1.353 751 HD2 ARG 93 HD2 ARG 93 -14.631 -0.366 0.957 752 HD3 ARG 93 HD1 ARG 93 -14.327 -0.570 -0.766 753 HE ARG 93 HE ARG 93 -15.972 -2.631 0.090 754 HH11 ARG 93 HH11 ARG 93 -16.194 0.889 -0.335 755 HH12 ARG 93 HH12 ARG 93 -17.862 0.902 -0.620 756 HH21 ARG 93 HH21 ARG 93 -18.267 -2.624 -0.279 757 HH22 ARG 93 HH22 ARG 93 -19.114 -1.181 -0.591 758 H GLU 94 HN GLU 94 -10.426 -1.132 3.524 759 HA GLU 94 HA GLU 94 -11.922 -2.988 5.072 760 HB2 GLU 94 HB3 GLU 94 -9.899 -3.175 6.425 761 HB3 GLU 94 HB2 GLU 94 -9.513 -3.272 4.716 762 HG2 GLU 94 HG3 GLU 94 -9.008 -0.979 6.612 763 HG3 GLU 94 HG2 GLU 94 -7.814 -2.014 5.843 764 H ASP 95 HN ASP 95 -11.829 0.315 5.049 765 HA ASP 95 HA ASP 95 -12.282 0.811 7.835 766 HB2 ASP 95 HB2 ASP 95 -11.454 2.615 6.392 767 HB3 ASP 95 HB1 ASP 95 -12.892 2.488 5.396 768 H LEU 96 HN LEU 96 -13.991 -0.086 5.238 769 HA LEU 96 HA LEU 96 -16.575 0.523 6.411 770 HB2 LEU 96 HB2 LEU 96 -16.169 1.196 4.070 771 HB3 LEU 96 HB1 LEU 96 -15.965 -0.485 3.633 772 HG LEU 96 HG LEU 96 -18.551 0.357 4.869 773 HD11 LEU 96 HD11 LEU 96 -19.385 0.914 2.606 774 HD12 LEU 96 HD12 LEU 96 -17.753 0.715 1.961 775 HD13 LEU 96 HD13 LEU 96 -18.102 2.017 3.100 776 HD21 LEU 96 HD21 LEU 96 -17.788 -1.620 2.731 777 HD22 LEU 96 HD22 LEU 96 -19.414 -1.350 3.347 778 HD23 LEU 96 HD23 LEU 96 -18.164 -1.989 4.417 779 H VAL 97 HN VAL 97 -17.561 -0.829 7.496 780 HA VAL 97 HA VAL 97 -16.700 -3.565 7.780 781 HB VAL 97 HB VAL 97 -18.839 -1.919 9.126 782 HG11 VAL 97 HG11 VAL 97 -18.826 -3.652 10.913 783 HG12 VAL 97 HG12 VAL 97 -17.662 -4.589 9.978 784 HG13 VAL 97 HG13 VAL 97 -19.295 -4.344 9.359 785 HG21 VAL 97 HG21 VAL 97 -16.054 -2.629 10.038 786 HG22 VAL 97 HG22 VAL 97 -17.245 -1.759 11.004 787 HG23 VAL 97 HG23 VAL 97 -16.621 -1.046 9.518 788 H ARG 98 HN ARG 98 -18.120 -5.380 7.506 789 HA ARG 98 HA ARG 98 -19.639 -6.692 6.515 790 HB2 ARG 98 HB2 ARG 98 -21.337 -5.216 7.627 791 HB3 ARG 98 HB1 ARG 98 -21.339 -4.179 6.211 792 HG2 ARG 98 HG2 ARG 98 -22.187 -6.088 4.875 793 HG3 ARG 98 HG1 ARG 98 -22.286 -7.042 6.359 794 HD2 ARG 98 HD2 ARG 98 -23.854 -5.452 7.299 795 HD3 ARG 98 HD1 ARG 98 -23.695 -4.427 5.872 796 HE ARG 98 HE ARG 98 -24.685 -7.166 5.619 797 HH11 ARG 98 HH11 ARG 98 -25.310 -3.673 5.356 798 HH12 ARG 98 HH12 ARG 98 -26.782 -3.874 4.519 799 HH21 ARG 98 HH21 ARG 98 -26.704 -7.402 4.440 800 HH22 ARG 98 HH22 ARG 98 -27.569 -6.010 3.968 801 H ASP 99 HN ASP 99 -17.560 -5.949 5.121 802 HA ASP 99 HA ASP 99 -18.361 -6.434 2.445 803 HB2 ASP 99 HB2 ASP 99 -18.597 -3.956 2.468 804 HB3 ASP 99 HB1 ASP 99 -16.948 -3.808 3.047 805 H THR 100 HN THR 100 -15.531 -4.724 3.707 806 HA THR 100 HA THR 100 -13.512 -5.279 4.242 807 HB THR 100 HB THR 100 -14.526 -8.138 4.396 808 HG1 THR 100 HG1 THR 100 -14.166 -6.767 6.736 809 HG21 THR 100 HG21 THR 100 -12.666 -8.445 5.999 810 HG22 THR 100 HG22 THR 100 -12.151 -6.786 5.692 811 HG23 THR 100 HG23 THR 100 -12.066 -7.991 4.406 812 H VAL 101 HN VAL 101 -14.149 -8.289 2.575 813 HA VAL 101 HA VAL 101 -13.492 -8.009 0.007 814 HB VAL 101 HB VAL 101 -11.144 -9.165 0.041 815 HG11 VAL 101 HG11 VAL 101 -11.265 -6.255 0.756 816 HG12 VAL 101 HG12 VAL 101 -11.367 -6.927 -0.867 817 HG13 VAL 101 HG13 VAL 101 -9.857 -7.054 0.051 818 HG21 VAL 101 HG21 VAL 101 -11.036 -9.567 2.447 819 HG22 VAL 101 HG22 VAL 101 -11.024 -7.822 2.719 820 HG23 VAL 101 HG23 VAL 101 -9.658 -8.593 1.913 821 H GLU 102 HN GLU 102 -12.722 -10.385 -0.729 822 HA GLU 102 HA GLU 102 -14.103 -12.197 1.088 823 HB2 GLU 102 HB3 GLU 102 -13.372 -12.474 -1.833 824 HB3 GLU 102 HB2 GLU 102 -13.880 -13.846 -0.874 825 HG2 GLU 102 HG3 GLU 102 -15.743 -13.069 -2.143 826 HG3 GLU 102 HG2 GLU 102 -16.035 -12.696 -0.453 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 4.715 -11.048 11.230 2 H2 GLY 1 HT2 GLY 1 6.111 -10.379 10.621 3 H3 GLY 1 HT3 GLY 1 4.708 -10.366 9.689 4 HA2 GLY 1 HA2 GLY 1 5.140 -8.171 10.664 5 HA3 GLY 1 HA3 GLY 1 3.661 -8.885 11.312 6 H HIS 2 HN HIS 2 4.643 -7.017 12.946 7 HA HIS 2 HA HIS 2 6.652 -8.142 14.671 8 HB2 HIS 2 HB2 HIS 2 4.934 -5.668 15.044 9 HB3 HIS 2 HB1 HIS 2 6.244 -6.161 16.098 10 HD1 HIS 2 HD1 HIS 2 5.609 -3.927 13.382 11 HD2 HIS 2 HD2 HIS 2 8.777 -6.367 14.511 12 HE1 HIS 2 HE1 HIS 2 7.633 -3.014 12.246 13 H MET 3 HN MET 3 3.382 -7.013 15.250 14 HA MET 3 HA MET 3 3.181 -8.842 17.492 15 HB2 MET 3 HB2 MET 3 2.613 -6.475 17.826 16 HB3 MET 3 HB1 MET 3 1.392 -6.584 16.574 17 HG2 MET 3 HG2 MET 3 0.131 -8.165 17.938 18 HG3 MET 3 HG1 MET 3 1.366 -8.067 19.191 19 HE1 MET 3 HE1 MET 3 1.040 -4.349 20.399 20 HE2 MET 3 HE2 MET 3 2.123 -4.938 19.144 21 HE3 MET 3 HE3 MET 3 1.877 -5.886 20.615 22 H LEU 4 HN LEU 4 2.675 -10.791 16.730 23 HA LEU 4 HA LEU 4 0.797 -11.044 14.518 24 HB2 LEU 4 HB2 LEU 4 2.919 -12.289 14.447 25 HB3 LEU 4 HB1 LEU 4 2.470 -13.128 15.918 26 HG LEU 4 HG LEU 4 0.529 -14.109 14.699 27 HD11 LEU 4 HD11 LEU 4 1.848 -12.875 12.290 28 HD12 LEU 4 HD12 LEU 4 0.260 -12.469 12.951 29 HD13 LEU 4 HD13 LEU 4 0.548 -14.063 12.256 30 HD21 LEU 4 HD21 LEU 4 3.262 -14.649 13.560 31 HD22 LEU 4 HD22 LEU 4 1.875 -15.723 13.424 32 HD23 LEU 4 HD23 LEU 4 2.572 -15.378 15.010 33 H ARG 5 HN ARG 5 -1.245 -11.108 15.052 34 HA ARG 5 HA ARG 5 -2.309 -13.086 16.780 35 HB2 ARG 5 HB2 ARG 5 -3.398 -11.577 18.395 36 HB3 ARG 5 HB1 ARG 5 -1.666 -11.362 18.473 37 HG2 ARG 5 HG2 ARG 5 -1.892 -9.295 17.139 38 HG3 ARG 5 HG1 ARG 5 -3.640 -9.547 17.125 39 HD2 ARG 5 HD2 ARG 5 -3.527 -9.581 19.650 40 HD3 ARG 5 HD1 ARG 5 -1.871 -9.010 19.472 41 HE ARG 5 HE ARG 5 -3.789 -7.429 18.071 42 HH11 ARG 5 HH11 ARG 5 -2.156 -7.942 21.166 43 HH12 ARG 5 HH12 ARG 5 -2.514 -6.387 21.770 44 HH21 ARG 5 HH21 ARG 5 -4.299 -5.275 18.917 45 HH22 ARG 5 HH22 ARG 5 -3.735 -4.856 20.481 46 H THR 6 HN THR 6 -4.922 -11.482 16.984 47 HA THR 6 HA THR 6 -6.136 -11.910 14.571 48 HB THR 6 HB THR 6 -6.696 -9.508 16.337 49 HG1 THR 6 HG1 THR 6 -7.746 -12.109 16.695 50 HG21 THR 6 HG21 THR 6 -9.031 -9.940 15.700 51 HG22 THR 6 HG22 THR 6 -8.506 -11.299 14.705 52 HG23 THR 6 HG23 THR 6 -8.031 -9.656 14.276 53 H ALA 7 HN ALA 7 -4.281 -9.119 15.640 54 HA ALA 7 HA ALA 7 -4.286 -7.598 13.274 55 HB1 ALA 7 HB1 ALA 7 -2.273 -6.550 14.179 56 HB2 ALA 7 HB2 ALA 7 -2.113 -7.846 15.360 57 HB3 ALA 7 HB3 ALA 7 -3.477 -6.738 15.456 58 H GLY 8 HN GLY 8 -4.070 -9.004 11.634 59 HA2 GLY 8 HA3 GLY 8 -1.715 -9.458 10.423 60 HA3 GLY 8 HA2 GLY 8 -1.983 -10.901 11.417 61 H ARG 9 HN ARG 9 -2.360 -12.225 9.624 62 HA ARG 9 HA ARG 9 -3.502 -13.258 8.074 63 HB2 ARG 9 HB2 ARG 9 -5.862 -11.844 9.324 64 HB3 ARG 9 HB1 ARG 9 -5.941 -13.113 8.104 65 HG2 ARG 9 HG2 ARG 9 -4.704 -13.438 10.818 66 HG3 ARG 9 HG1 ARG 9 -6.327 -13.977 10.361 67 HD2 ARG 9 HD2 ARG 9 -5.387 -15.369 8.621 68 HD3 ARG 9 HD1 ARG 9 -3.780 -14.820 9.024 69 HE ARG 9 HE ARG 9 -5.066 -15.943 11.276 70 HH11 ARG 9 HH11 ARG 9 -3.257 -16.693 8.326 71 HH12 ARG 9 HH12 ARG 9 -2.723 -18.213 8.842 72 HH21 ARG 9 HH21 ARG 9 -4.321 -18.047 12.022 73 HH22 ARG 9 HH22 ARG 9 -3.319 -18.988 11.004 74 H ASP 10 HN ASP 10 -5.119 -10.142 8.047 75 HA ASP 10 HA ASP 10 -4.931 -10.263 5.183 76 HB2 ASP 10 HB2 ASP 10 -7.065 -9.581 6.491 77 HB3 ASP 10 HB1 ASP 10 -6.259 -8.041 6.753 78 H GLY 11 HN GLY 11 -4.278 -8.029 4.189 79 HA2 GLY 11 HA3 GLY 11 -2.908 -6.082 4.298 80 HA3 GLY 11 HA2 GLY 11 -2.177 -6.713 5.770 81 H LEU 12 HN LEU 12 -2.477 -9.180 3.590 82 HA LEU 12 HA LEU 12 0.262 -8.736 2.608 83 HB2 LEU 12 HB2 LEU 12 0.229 -10.518 4.286 84 HB3 LEU 12 HB1 LEU 12 -1.020 -11.359 3.393 85 HG LEU 12 HG LEU 12 0.590 -11.696 1.529 86 HD11 LEU 12 HD11 LEU 12 2.070 -9.828 1.912 87 HD12 LEU 12 HD12 LEU 12 2.971 -11.342 1.926 88 HD13 LEU 12 HD13 LEU 12 2.596 -10.527 3.444 89 HD21 LEU 12 HD21 LEU 12 0.234 -13.446 3.180 90 HD22 LEU 12 HD22 LEU 12 1.475 -12.741 4.216 91 HD23 LEU 12 HD23 LEU 12 1.915 -13.425 2.650 92 H CYS 13 HN CYS 13 -2.527 -10.833 1.906 93 HA CYS 13 HA CYS 13 -1.895 -11.106 -0.832 94 HB2 CYS 13 HB2 CYS 13 -3.245 -12.747 0.412 95 HB3 CYS 13 HB1 CYS 13 -4.509 -11.548 0.630 96 HG CYS 13 HG CYS 13 -3.646 -13.237 -2.198 97 H ARG 14 HN ARG 14 -4.048 -8.998 0.928 98 HA ARG 14 HA ARG 14 -5.335 -7.676 -1.202 99 HB2 ARG 14 HB2 ARG 14 -5.950 -7.571 1.253 100 HB3 ARG 14 HB1 ARG 14 -4.571 -6.517 1.495 101 HG2 ARG 14 HG2 ARG 14 -5.610 -4.951 -0.181 102 HG3 ARG 14 HG1 ARG 14 -7.054 -5.958 -0.104 103 HD2 ARG 14 HD2 ARG 14 -5.768 -4.456 2.179 104 HD3 ARG 14 HD1 ARG 14 -7.266 -4.037 1.368 105 HE ARG 14 HE ARG 14 -7.012 -6.577 2.841 106 HH11 ARG 14 HH11 ARG 14 -8.670 -3.479 2.374 107 HH12 ARG 14 HH12 ARG 14 -9.846 -3.749 3.567 108 HH21 ARG 14 HH21 ARG 14 -8.626 -6.965 4.441 109 HH22 ARG 14 HH22 ARG 14 -9.823 -5.805 4.807 110 H LEU 15 HN LEU 15 -2.453 -7.004 0.671 111 HA LEU 15 HA LEU 15 -1.659 -4.580 -0.415 112 HB2 LEU 15 HB2 LEU 15 -0.857 -5.589 1.673 113 HB3 LEU 15 HB1 LEU 15 -0.044 -6.833 0.757 114 HG LEU 15 HG LEU 15 1.480 -5.144 -0.171 115 HD11 LEU 15 HD11 LEU 15 1.485 -2.915 0.785 116 HD12 LEU 15 HD12 LEU 15 0.008 -3.288 1.672 117 HD13 LEU 15 HD13 LEU 15 -0.009 -3.225 -0.095 118 HD21 LEU 15 HD21 LEU 15 2.679 -4.677 1.898 119 HD22 LEU 15 HD22 LEU 15 2.084 -6.338 1.851 120 HD23 LEU 15 HD23 LEU 15 1.249 -5.127 2.825 121 H SER 16 HN SER 16 -0.608 -7.875 -1.151 122 HA SER 16 HA SER 16 1.171 -7.404 -3.209 123 HB2 SER 16 HB2 SER 16 -0.709 -9.744 -2.882 124 HB3 SER 16 HB1 SER 16 0.761 -9.734 -3.850 125 HG SER 16 HG SER 16 0.504 -9.528 -1.033 126 H THR 17 HN THR 17 -2.299 -8.144 -3.454 127 HA THR 17 HA THR 17 -2.533 -8.202 -6.202 128 HB THR 17 HB THR 17 -4.620 -7.385 -4.161 129 HG1 THR 17 HG1 THR 17 -3.908 -9.430 -3.647 130 HG21 THR 17 HG21 THR 17 -5.316 -6.845 -6.471 131 HG22 THR 17 HG22 THR 17 -6.257 -8.194 -5.826 132 HG23 THR 17 HG23 THR 17 -4.956 -8.500 -6.966 133 H TYR 18 HN TYR 18 -2.806 -5.389 -4.035 134 HA TYR 18 HA TYR 18 -3.556 -3.649 -6.173 135 HB2 TYR 18 HB2 TYR 18 -2.893 -3.171 -3.288 136 HB3 TYR 18 HB1 TYR 18 -3.091 -1.822 -4.404 137 HD1 TYR 18 HD1 TYR 18 -5.229 -1.302 -5.346 138 HD2 TYR 18 HD2 TYR 18 -4.807 -4.563 -2.664 139 HE1 TYR 18 HE1 TYR 18 -7.657 -1.413 -5.111 140 HE2 TYR 18 HE2 TYR 18 -7.246 -4.679 -2.407 141 HH TYR 18 HH TYR 18 -9.205 -3.368 -2.730 142 H LEU 19 HN LEU 19 -0.547 -4.418 -4.578 143 HA LEU 19 HA LEU 19 0.894 -2.289 -5.797 144 HB2 LEU 19 HB2 LEU 19 1.868 -4.855 -4.548 145 HB3 LEU 19 HB1 LEU 19 2.925 -3.577 -5.111 146 HG LEU 19 HG LEU 19 0.882 -3.277 -2.893 147 HD11 LEU 19 HD11 LEU 19 2.809 -3.173 -1.415 148 HD12 LEU 19 HD12 LEU 19 3.879 -3.525 -2.776 149 HD13 LEU 19 HD13 LEU 19 2.705 -4.729 -2.237 150 HD21 LEU 19 HD21 LEU 19 1.285 -1.187 -4.108 151 HD22 LEU 19 HD22 LEU 19 3.018 -1.382 -3.889 152 HD23 LEU 19 HD23 LEU 19 1.979 -1.121 -2.494 153 H GLU 20 HN GLU 20 -0.116 -5.369 -6.898 154 HA GLU 20 HA GLU 20 1.746 -5.677 -9.018 155 HB2 GLU 20 HB3 GLU 20 -1.046 -6.736 -8.690 156 HB3 GLU 20 HB2 GLU 20 0.033 -7.182 -10.003 157 HG2 GLU 20 HG3 GLU 20 1.591 -8.135 -8.396 158 HG3 GLU 20 HG2 GLU 20 0.515 -7.668 -7.078 159 H GLU 21 HN GLU 21 -0.969 -3.610 -8.593 160 HA GLU 21 HA GLU 21 -1.224 -3.212 -11.447 161 HB2 GLU 21 HB3 GLU 21 -2.826 -2.097 -9.146 162 HB3 GLU 21 HB2 GLU 21 -3.058 -1.586 -10.810 163 HG2 GLU 21 HG3 GLU 21 -3.549 -3.957 -11.404 164 HG3 GLU 21 HG2 GLU 21 -3.472 -4.349 -9.687 165 H LEU 22 HN LEU 22 0.960 -2.220 -9.366 166 HA LEU 22 HA LEU 22 1.135 0.501 -10.442 167 HB2 LEU 22 HB2 LEU 22 2.858 -0.876 -8.336 168 HB3 LEU 22 HB1 LEU 22 3.082 0.741 -8.928 169 HG LEU 22 HG LEU 22 0.745 -0.234 -7.307 170 HD11 LEU 22 HD11 LEU 22 2.744 -0.063 -5.997 171 HD12 LEU 22 HD12 LEU 22 1.723 1.343 -5.636 172 HD13 LEU 22 HD13 LEU 22 3.115 1.508 -6.698 173 HD21 LEU 22 HD21 LEU 22 1.394 2.523 -8.355 174 HD22 LEU 22 HD22 LEU 22 0.111 2.133 -7.216 175 HD23 LEU 22 HD23 LEU 22 0.039 1.511 -8.863 176 H GLU 23 HN GLU 23 2.551 0.941 -12.053 177 HA GLU 23 HA GLU 23 3.991 -1.304 -13.119 178 HB2 GLU 23 HB3 GLU 23 4.693 0.153 -14.952 179 HB3 GLU 23 HB2 GLU 23 2.973 0.340 -14.634 180 HG2 GLU 23 HG3 GLU 23 3.236 2.433 -13.776 181 HG3 GLU 23 HG2 GLU 23 4.992 2.245 -13.560 182 H ALA 24 HN ALA 24 6.414 -0.679 -13.914 183 HA ALA 24 HA ALA 24 7.942 -0.950 -11.610 184 HB1 ALA 24 HB1 ALA 24 8.656 -1.718 -13.848 185 HB2 ALA 24 HB2 ALA 24 9.896 -0.794 -13.005 186 HB3 ALA 24 HB3 ALA 24 8.966 -0.038 -14.298 187 H VAL 25 HN VAL 25 7.405 1.979 -13.552 188 HA VAL 25 HA VAL 25 9.151 3.526 -11.942 189 HB VAL 25 HB VAL 25 8.558 4.270 -14.234 190 HG11 VAL 25 HG11 VAL 25 5.863 4.901 -13.080 191 HG12 VAL 25 HG12 VAL 25 6.236 3.719 -14.342 192 HG13 VAL 25 HG13 VAL 25 6.446 5.439 -14.653 193 HG21 VAL 25 HG21 VAL 25 9.467 5.912 -12.678 194 HG22 VAL 25 HG22 VAL 25 7.832 6.267 -12.109 195 HG23 VAL 25 HG23 VAL 25 8.291 6.667 -13.762 196 H GLU 26 HN GLU 26 5.848 2.594 -11.590 197 HA GLU 26 HA GLU 26 5.267 4.627 -9.657 198 HB2 GLU 26 HB3 GLU 26 3.787 2.080 -10.253 199 HB3 GLU 26 HB2 GLU 26 3.194 3.390 -9.234 200 HG2 GLU 26 HG3 GLU 26 3.410 4.871 -11.266 201 HG3 GLU 26 HG2 GLU 26 3.721 3.387 -12.168 202 H LEU 27 HN LEU 27 6.217 1.257 -9.586 203 HA LEU 27 HA LEU 27 6.229 0.926 -6.788 204 HB2 LEU 27 HB2 LEU 27 8.010 -0.328 -8.889 205 HB3 LEU 27 HB1 LEU 27 7.919 -0.858 -7.226 206 HG LEU 27 HG LEU 27 5.618 -0.958 -9.184 207 HD11 LEU 27 HD11 LEU 27 6.002 -3.370 -9.194 208 HD12 LEU 27 HD12 LEU 27 7.429 -3.152 -8.180 209 HD13 LEU 27 HD13 LEU 27 7.398 -2.491 -9.815 210 HD21 LEU 27 HD21 LEU 27 4.567 -2.379 -7.477 211 HD22 LEU 27 HD22 LEU 27 4.880 -0.756 -6.870 212 HD23 LEU 27 HD23 LEU 27 5.931 -2.091 -6.401 213 H LYS 28 HN LYS 28 8.544 2.194 -9.056 214 HA LYS 28 HA LYS 28 10.737 2.691 -7.398 215 HB2 LYS 28 HB2 LYS 28 10.702 2.769 -9.871 216 HB3 LYS 28 HB1 LYS 28 9.723 4.213 -9.795 217 HG2 LYS 28 HG2 LYS 28 11.576 5.453 -8.849 218 HG3 LYS 28 HG1 LYS 28 12.561 3.977 -8.817 219 HD2 LYS 28 HD2 LYS 28 12.303 3.769 -11.257 220 HD3 LYS 28 HD1 LYS 28 11.368 5.261 -11.273 221 HE2 LYS 28 HE2 LYS 28 14.216 5.019 -10.347 222 HE3 LYS 28 HE1 LYS 28 13.736 5.524 -11.959 223 HZ1 LYS 28 HZ1 LYS 28 12.529 7.407 -10.884 224 HZ2 LYS 28 HZ2 LYS 28 14.189 7.426 -10.708 225 HZ3 LYS 28 HZ3 LYS 28 13.248 6.977 -9.404 226 H LYS 29 HN LYS 29 7.935 4.688 -8.156 227 HA LYS 29 HA LYS 29 8.596 6.988 -6.632 228 HB2 LYS 29 HB2 LYS 29 5.868 5.829 -7.200 229 HB3 LYS 29 HB1 LYS 29 6.196 7.475 -6.697 230 HG2 LYS 29 HG2 LYS 29 7.329 7.927 -8.771 231 HG3 LYS 29 HG1 LYS 29 7.117 6.254 -9.283 232 HD2 LYS 29 HD2 LYS 29 4.676 6.565 -9.202 233 HD3 LYS 29 HD1 LYS 29 4.918 8.246 -8.745 234 HE2 LYS 29 HE2 LYS 29 6.134 8.632 -10.829 235 HE3 LYS 29 HE1 LYS 29 5.854 6.954 -11.300 236 HZ1 LYS 29 HZ1 LYS 29 3.750 9.005 -10.840 237 HZ2 LYS 29 HZ2 LYS 29 3.470 7.399 -11.302 238 HZ3 LYS 29 HZ3 LYS 29 4.267 8.431 -12.335 239 H PHE 30 HN PHE 30 6.558 4.234 -5.996 240 HA PHE 30 HA PHE 30 5.696 4.680 -3.450 241 HB2 PHE 30 HB2 PHE 30 4.636 3.049 -4.714 242 HB3 PHE 30 HB1 PHE 30 6.135 2.296 -5.186 243 HD1 PHE 30 HD1 PHE 30 3.916 2.796 -2.229 244 HD2 PHE 30 HD2 PHE 30 6.729 0.327 -4.218 245 HE1 PHE 30 HE1 PHE 30 3.496 0.999 -0.599 246 HE2 PHE 30 HE2 PHE 30 6.328 -1.464 -2.587 247 HZ PHE 30 HZ PHE 30 4.698 -1.124 -0.777 248 H LYS 31 HN LYS 31 8.585 2.814 -4.405 249 HA LYS 31 HA LYS 31 9.314 2.329 -1.700 250 HB2 LYS 31 HB2 LYS 31 11.459 1.462 -2.582 251 HB3 LYS 31 HB1 LYS 31 10.044 0.725 -3.310 252 HG2 LYS 31 HG2 LYS 31 10.347 2.072 -5.308 253 HG3 LYS 31 HG1 LYS 31 11.731 2.885 -4.574 254 HD2 LYS 31 HD2 LYS 31 12.982 0.846 -4.523 255 HD3 LYS 31 HD1 LYS 31 11.582 -0.094 -5.010 256 HE2 LYS 31 HE2 LYS 31 11.579 0.938 -7.173 257 HE3 LYS 31 HE1 LYS 31 12.924 1.996 -6.715 258 HZ1 LYS 31 HZ1 LYS 31 14.344 0.125 -6.560 259 HZ2 LYS 31 HZ2 LYS 31 13.515 -0.019 -8.034 260 HZ3 LYS 31 HZ3 LYS 31 13.047 -0.955 -6.714 261 H LEU 32 HN LEU 32 10.179 4.979 -3.858 262 HA LEU 32 HA LEU 32 12.231 5.735 -1.984 263 HB2 LEU 32 HB2 LEU 32 12.650 7.657 -3.345 264 HB3 LEU 32 HB1 LEU 32 12.480 6.277 -4.394 265 HG LEU 32 HG LEU 32 10.049 7.172 -4.777 266 HD11 LEU 32 HD11 LEU 32 10.043 8.870 -3.033 267 HD12 LEU 32 HD12 LEU 32 9.844 9.598 -4.628 268 HD13 LEU 32 HD13 LEU 32 11.402 9.685 -3.809 269 HD21 LEU 32 HD21 LEU 32 12.480 8.565 -5.817 270 HD22 LEU 32 HD22 LEU 32 10.888 8.589 -6.586 271 HD23 LEU 32 HD23 LEU 32 11.796 7.073 -6.457 272 H TYR 33 HN TYR 33 8.888 6.360 -2.451 273 HA TYR 33 HA TYR 33 8.826 8.642 -0.835 274 HB2 TYR 33 HB2 TYR 33 6.939 8.095 -2.326 275 HB3 TYR 33 HB1 TYR 33 6.561 6.691 -1.324 276 HD1 TYR 33 HD1 TYR 33 6.675 10.360 -1.388 277 HD2 TYR 33 HD2 TYR 33 5.405 6.928 0.760 278 HE1 TYR 33 HE1 TYR 33 5.371 11.800 0.142 279 HE2 TYR 33 HE2 TYR 33 4.099 8.337 2.281 280 HH TYR 33 HH TYR 33 4.288 10.838 3.076 281 H LEU 34 HN LEU 34 8.181 5.241 -0.083 282 HA LEU 34 HA LEU 34 8.105 6.016 2.714 283 HB2 LEU 34 HB2 LEU 34 7.316 3.662 3.112 284 HB3 LEU 34 HB1 LEU 34 6.256 4.734 2.236 285 HG LEU 34 HG LEU 34 7.050 3.587 0.117 286 HD11 LEU 34 HD11 LEU 34 7.919 1.321 0.330 287 HD12 LEU 34 HD12 LEU 34 8.114 1.562 2.070 288 HD13 LEU 34 HD13 LEU 34 9.059 2.524 0.935 289 HD21 LEU 34 HD21 LEU 34 4.884 3.225 1.128 290 HD22 LEU 34 HD22 LEU 34 5.566 1.953 2.154 291 HD23 LEU 34 HD23 LEU 34 5.522 1.753 0.402 292 H GLY 35 HN GLY 35 10.272 4.308 0.612 293 HA2 GLY 35 HA3 GLY 35 11.430 2.754 2.640 294 HA3 GLY 35 HA2 GLY 35 12.141 3.044 1.052 295 H THR 36 HN THR 36 12.293 5.872 1.330 296 HA THR 36 HA THR 36 14.346 6.025 3.414 297 HB THR 36 HB THR 36 15.305 6.155 1.133 298 HG1 THR 36 HG1 THR 36 15.680 7.980 3.047 299 HG21 THR 36 HG21 THR 36 14.871 8.111 -0.334 300 HG22 THR 36 HG22 THR 36 13.631 8.662 0.792 301 HG23 THR 36 HG23 THR 36 13.416 7.154 -0.086 302 H ALA 37 HN ALA 37 11.442 6.573 3.444 303 HA ALA 37 HA ALA 37 10.960 9.355 3.623 304 HB1 ALA 37 HB1 ALA 37 9.438 7.121 4.906 305 HB2 ALA 37 HB2 ALA 37 9.150 7.797 3.295 306 HB3 ALA 37 HB3 ALA 37 8.903 8.788 4.736 307 H THR 38 HN THR 38 11.574 10.730 5.125 308 HA THR 38 HA THR 38 12.437 9.854 7.701 309 HB THR 38 HB THR 38 12.551 12.368 8.064 310 HG1 THR 38 HG1 THR 38 12.466 13.426 5.821 311 HG21 THR 38 HG21 THR 38 14.490 12.681 6.569 312 HG22 THR 38 HG22 THR 38 14.005 11.256 5.647 313 HG23 THR 38 HG23 THR 38 14.522 11.088 7.324 314 H GLU 39 HN GLU 39 9.617 10.724 6.126 315 HA GLU 39 HA GLU 39 7.910 11.796 8.086 316 HB2 GLU 39 HB3 GLU 39 7.432 11.723 5.663 317 HB3 GLU 39 HB2 GLU 39 7.251 9.982 5.754 318 HG2 GLU 39 HG3 GLU 39 5.356 10.339 7.333 319 HG3 GLU 39 HG2 GLU 39 5.479 12.065 6.999 320 H LEU 40 HN LEU 40 8.938 8.536 7.438 321 HA LEU 40 HA LEU 40 7.000 7.298 9.241 322 HB2 LEU 40 HB2 LEU 40 9.266 6.142 7.655 323 HB3 LEU 40 HB1 LEU 40 8.076 5.230 8.555 324 HG LEU 40 HG LEU 40 7.510 6.965 6.151 325 HD11 LEU 40 HD11 LEU 40 8.774 4.975 5.590 326 HD12 LEU 40 HD12 LEU 40 7.120 4.878 4.993 327 HD13 LEU 40 HD13 LEU 40 7.588 3.976 6.431 328 HD21 LEU 40 HD21 LEU 40 5.307 5.919 6.199 329 HD22 LEU 40 HD22 LEU 40 5.599 6.880 7.649 330 HD23 LEU 40 HD23 LEU 40 5.709 5.117 7.716 331 H GLY 41 HN GLY 41 10.050 8.618 9.285 332 HA2 GLY 41 HA3 GLY 41 10.907 8.881 11.615 333 HA3 GLY 41 HA2 GLY 41 10.833 7.118 11.673 334 H GLU 42 HN GLU 42 12.395 5.973 10.841 335 HA GLU 42 HA GLU 42 14.759 7.425 9.871 336 HB2 GLU 42 HB3 GLU 42 14.464 4.585 10.822 337 HB3 GLU 42 HB2 GLU 42 15.971 5.374 10.394 338 HG2 GLU 42 HG3 GLU 42 14.156 6.111 12.678 339 HG3 GLU 42 HG2 GLU 42 15.686 5.251 12.791 340 H GLY 43 HN GLY 43 12.220 5.598 8.649 341 HA2 GLY 43 HA3 GLY 43 11.926 4.712 6.502 342 HA3 GLY 43 HA2 GLY 43 13.647 4.973 6.190 343 H LYS 44 HN LYS 44 11.346 2.671 6.898 344 HA LYS 44 HA LYS 44 13.110 0.986 8.493 345 HB2 LYS 44 HB2 LYS 44 10.227 0.619 7.698 346 HB3 LYS 44 HB1 LYS 44 11.136 -0.471 8.735 347 HG2 LYS 44 HG2 LYS 44 10.647 2.435 9.339 348 HG3 LYS 44 HG1 LYS 44 9.669 1.103 9.958 349 HD2 LYS 44 HD2 LYS 44 11.640 0.175 11.074 350 HD3 LYS 44 HD1 LYS 44 12.632 1.484 10.428 351 HE2 LYS 44 HE2 LYS 44 11.994 1.898 12.756 352 HE3 LYS 44 HE1 LYS 44 11.344 3.111 11.660 353 HZ1 LYS 44 HZ1 LYS 44 9.737 2.376 13.323 354 HZ2 LYS 44 HZ2 LYS 44 9.797 0.799 12.730 355 HZ3 LYS 44 HZ3 LYS 44 9.187 2.035 11.781 356 H ILE 45 HN ILE 45 13.029 1.467 5.388 357 HA ILE 45 HA ILE 45 12.977 -1.332 4.593 358 HB ILE 45 HB ILE 45 13.218 1.208 2.965 359 HG12 ILE 45 HG12 ILE 45 10.966 0.831 3.886 360 HG13 ILE 45 HG11 ILE 45 10.975 0.663 2.135 361 HG21 ILE 45 HG21 ILE 45 13.098 -1.643 1.997 362 HG22 ILE 45 HG22 ILE 45 14.467 -0.542 1.868 363 HG23 ILE 45 HG23 ILE 45 12.976 -0.209 0.982 364 HD11 ILE 45 HD11 ILE 45 9.597 -1.039 3.143 365 HD12 ILE 45 HD12 ILE 45 10.949 -1.579 4.143 366 HD13 ILE 45 HD13 ILE 45 11.025 -1.744 2.380 367 HA PRO 46 HA PRO 46 17.377 -1.400 5.000 368 HB2 PRO 46 HB2 PRO 46 17.782 -3.828 3.814 369 HB3 PRO 46 HB1 PRO 46 17.207 -3.647 5.473 370 HG2 PRO 46 HG2 PRO 46 15.657 -4.214 2.990 371 HG3 PRO 46 HG1 PRO 46 15.457 -4.901 4.611 372 HD2 PRO 46 HD2 PRO 46 13.875 -2.955 3.607 373 HD3 PRO 46 HD1 PRO 46 14.233 -3.113 5.338 374 H TRP 47 HN TRP 47 18.620 -0.317 3.852 375 HA TRP 47 HA TRP 47 19.357 0.987 2.128 376 HB2 TRP 47 HB2 TRP 47 20.621 -1.709 1.669 377 HB3 TRP 47 HB1 TRP 47 21.321 -0.139 1.298 378 HD1 TRP 47 HD1 TRP 47 22.000 1.421 3.451 379 HE1 TRP 47 HE1 TRP 47 22.666 0.740 5.852 380 HE3 TRP 47 HE3 TRP 47 20.318 -3.402 3.445 381 HZ2 TRP 47 HZ2 TRP 47 22.513 -1.531 7.490 382 HZ3 TRP 47 HZ3 TRP 47 20.621 -4.763 5.466 383 HH2 TRP 47 HH2 TRP 47 21.697 -3.842 7.445 384 H GLY 48 HN GLY 48 19.164 -2.025 0.442 385 HA2 GLY 48 HA3 GLY 48 17.761 -0.679 -1.762 386 HA3 GLY 48 HA2 GLY 48 19.322 -1.412 -2.108 387 H SER 49 HN SER 49 17.022 -2.731 0.125 388 HA SER 49 HA SER 49 16.951 -5.262 -1.155 389 HB2 SER 49 HB2 SER 49 16.569 -4.862 1.284 390 HB3 SER 49 HB1 SER 49 15.034 -4.104 0.885 391 HG SER 49 HG SER 49 15.088 -6.493 -0.284 392 H MET 50 HN MET 50 15.028 -2.404 -1.285 393 HA MET 50 HA MET 50 12.888 -3.649 -2.717 394 HB2 MET 50 HB2 MET 50 12.039 -1.205 -2.899 395 HB3 MET 50 HB1 MET 50 12.007 -2.015 -1.345 396 HG2 MET 50 HG2 MET 50 12.718 0.259 -1.086 397 HG3 MET 50 HG1 MET 50 14.026 -0.833 -0.695 398 HE1 MET 50 HE1 MET 50 15.783 1.153 -0.773 399 HE2 MET 50 HE2 MET 50 14.474 2.277 -1.137 400 HE3 MET 50 HE3 MET 50 15.935 2.273 -2.125 401 H GLU 51 HN GLU 51 15.808 -2.867 -3.676 402 HA GLU 51 HA GLU 51 15.214 -1.645 -6.191 403 HB2 GLU 51 HB3 GLU 51 17.642 -2.858 -4.961 404 HB3 GLU 51 HB2 GLU 51 17.631 -2.342 -6.648 405 HG2 GLU 51 HG3 GLU 51 16.983 -0.585 -4.301 406 HG3 GLU 51 HG2 GLU 51 18.559 -0.652 -5.101 407 H LYS 52 HN LYS 52 15.934 -4.857 -5.045 408 HA LYS 52 HA LYS 52 15.382 -5.963 -7.701 409 HB2 LYS 52 HB2 LYS 52 16.230 -8.119 -6.686 410 HB3 LYS 52 HB1 LYS 52 17.405 -6.822 -6.771 411 HG2 LYS 52 HG2 LYS 52 17.188 -6.388 -4.411 412 HG3 LYS 52 HG1 LYS 52 15.863 -7.541 -4.285 413 HD2 LYS 52 HD2 LYS 52 17.968 -8.504 -3.454 414 HD3 LYS 52 HD1 LYS 52 17.375 -9.377 -4.858 415 HE2 LYS 52 HE2 LYS 52 19.778 -9.092 -5.014 416 HE3 LYS 52 HE1 LYS 52 19.000 -8.151 -6.275 417 HZ1 LYS 52 HZ1 LYS 52 20.079 -7.068 -3.715 418 HZ2 LYS 52 HZ2 LYS 52 19.339 -6.160 -4.931 419 HZ3 LYS 52 HZ3 LYS 52 20.777 -6.933 -5.233 420 H ALA 53 HN ALA 53 13.367 -4.845 -5.872 421 HA ALA 53 HA ALA 53 11.817 -7.256 -5.244 422 HB1 ALA 53 HB1 ALA 53 11.573 -4.512 -4.034 423 HB2 ALA 53 HB2 ALA 53 12.392 -5.887 -3.288 424 HB3 ALA 53 HB3 ALA 53 10.650 -5.940 -3.564 425 H GLY 54 HN GLY 54 9.787 -7.488 -6.044 426 HA2 GLY 54 HA3 GLY 54 8.728 -5.370 -7.760 427 HA3 GLY 54 HA2 GLY 54 8.497 -7.103 -8.004 428 HA PRO 55 HA PRO 55 4.746 -5.222 -5.834 429 HB2 PRO 55 HB2 PRO 55 3.598 -7.606 -7.196 430 HB3 PRO 55 HB1 PRO 55 2.960 -5.965 -7.074 431 HG2 PRO 55 HG2 PRO 55 4.063 -6.823 -9.337 432 HG3 PRO 55 HG1 PRO 55 4.308 -5.162 -8.768 433 HD2 PRO 55 HD2 PRO 55 6.229 -7.473 -8.688 434 HD3 PRO 55 HD1 PRO 55 6.536 -5.751 -8.928 435 H LEU 56 HN LEU 56 5.567 -8.644 -6.148 436 HA LEU 56 HA LEU 56 4.148 -9.345 -3.707 437 HB2 LEU 56 HB2 LEU 56 6.022 -11.039 -5.381 438 HB3 LEU 56 HB1 LEU 56 5.131 -11.612 -3.998 439 HG LEU 56 HG LEU 56 3.986 -12.413 -5.859 440 HD11 LEU 56 HD11 LEU 56 2.520 -9.968 -4.965 441 HD12 LEU 56 HD12 LEU 56 2.505 -11.554 -4.192 442 HD13 LEU 56 HD13 LEU 56 1.804 -11.345 -5.798 443 HD21 LEU 56 HD21 LEU 56 4.966 -11.057 -7.608 444 HD22 LEU 56 HD22 LEU 56 4.069 -9.648 -7.057 445 HD23 LEU 56 HD23 LEU 56 3.207 -11.027 -7.745 446 H GLU 57 HN GLU 57 7.477 -8.956 -4.645 447 HA GLU 57 HA GLU 57 8.602 -9.720 -2.171 448 HB2 GLU 57 HB3 GLU 57 9.672 -7.755 -4.188 449 HB3 GLU 57 HB2 GLU 57 10.603 -8.495 -2.890 450 HG2 GLU 57 HG3 GLU 57 9.338 -9.911 -5.213 451 HG3 GLU 57 HG2 GLU 57 11.056 -9.564 -5.013 452 H MET 58 HN MET 58 7.452 -6.658 -3.427 453 HA MET 58 HA MET 58 8.188 -4.971 -1.300 454 HB2 MET 58 HB2 MET 58 5.947 -4.811 -3.292 455 HB3 MET 58 HB1 MET 58 6.273 -3.535 -2.132 456 HG2 MET 58 HG2 MET 58 8.346 -4.585 -3.967 457 HG3 MET 58 HG1 MET 58 7.254 -3.299 -4.522 458 HE1 MET 58 HE1 MET 58 10.446 -1.300 -4.092 459 HE2 MET 58 HE2 MET 58 8.993 -1.573 -5.050 460 HE3 MET 58 HE3 MET 58 10.188 -2.861 -4.874 461 H ALA 59 HN ALA 59 5.185 -6.729 -1.952 462 HA ALA 59 HA ALA 59 3.760 -5.826 0.239 463 HB1 ALA 59 HB1 ALA 59 3.628 -8.556 -1.031 464 HB2 ALA 59 HB2 ALA 59 2.773 -7.119 -1.589 465 HB3 ALA 59 HB3 ALA 59 2.383 -7.826 -0.020 466 H GLN 60 HN GLN 60 5.953 -8.529 -0.040 467 HA GLN 60 HA GLN 60 5.597 -9.399 2.668 468 HB2 GLN 60 HB2 GLN 60 7.715 -10.143 0.656 469 HB3 GLN 60 HB1 GLN 60 7.315 -11.023 2.129 470 HG2 GLN 60 HG2 GLN 60 5.116 -11.538 1.292 471 HG3 GLN 60 HG1 GLN 60 5.391 -10.501 -0.082 472 HE21 GLN 60 HE21 GLN 60 4.972 -12.155 -1.504 473 HE22 GLN 60 HE22 GLN 60 6.135 -13.384 -1.854 474 H LEU 61 HN LEU 61 7.322 -6.938 1.241 475 HA LEU 61 HA LEU 61 9.584 -6.841 3.038 476 HB2 LEU 61 HB2 LEU 61 9.389 -6.014 0.566 477 HB3 LEU 61 HB1 LEU 61 8.536 -4.658 1.260 478 HG LEU 61 HG LEU 61 10.604 -4.169 2.601 479 HD11 LEU 61 HD11 LEU 61 11.637 -6.394 2.408 480 HD12 LEU 61 HD12 LEU 61 12.695 -5.136 1.744 481 HD13 LEU 61 HD13 LEU 61 11.744 -6.152 0.660 482 HD21 LEU 61 HD21 LEU 61 10.002 -2.910 0.598 483 HD22 LEU 61 HD22 LEU 61 10.795 -4.116 -0.410 484 HD23 LEU 61 HD23 LEU 61 11.747 -3.127 0.697 485 H LEU 62 HN LEU 62 6.803 -4.709 2.241 486 HA LEU 62 HA LEU 62 7.024 -3.055 4.456 487 HB2 LEU 62 HB2 LEU 62 4.589 -3.675 2.769 488 HB3 LEU 62 HB1 LEU 62 4.571 -2.496 4.052 489 HG LEU 62 HG LEU 62 4.714 -1.329 1.970 490 HD11 LEU 62 HD11 LEU 62 5.999 -0.361 3.714 491 HD12 LEU 62 HD12 LEU 62 6.729 -0.089 2.131 492 HD13 LEU 62 HD13 LEU 62 7.405 -1.305 3.213 493 HD21 LEU 62 HD21 LEU 62 7.118 -2.966 1.348 494 HD22 LEU 62 HD22 LEU 62 6.447 -1.663 0.344 495 HD23 LEU 62 HD23 LEU 62 5.521 -3.152 0.642 496 H ILE 63 HN ILE 63 5.197 -6.060 4.031 497 HA ILE 63 HA ILE 63 3.677 -5.891 6.391 498 HB ILE 63 HB ILE 63 3.548 -7.458 4.254 499 HG12 ILE 63 HG12 ILE 63 1.865 -7.292 6.007 500 HG13 ILE 63 HG11 ILE 63 1.958 -8.907 5.329 501 HG21 ILE 63 HG21 ILE 63 5.004 -9.290 6.139 502 HG22 ILE 63 HG22 ILE 63 5.617 -8.652 4.622 503 HG23 ILE 63 HG23 ILE 63 4.244 -9.764 4.617 504 HD11 ILE 63 HD11 ILE 63 3.263 -9.605 7.336 505 HD12 ILE 63 HD12 ILE 63 1.636 -9.036 7.729 506 HD13 ILE 63 HD13 ILE 63 3.028 -7.985 7.994 507 H THR 64 HN THR 64 6.944 -6.855 5.872 508 HA THR 64 HA THR 64 7.089 -8.136 8.459 509 HB THR 64 HB THR 64 9.246 -7.752 6.372 510 HG1 THR 64 HG1 THR 64 7.978 -9.206 5.413 511 HG21 THR 64 HG21 THR 64 10.386 -9.562 7.577 512 HG22 THR 64 HG22 THR 64 9.095 -9.583 8.781 513 HG23 THR 64 HG23 THR 64 10.139 -8.169 8.627 514 H HIS 65 HN HIS 65 8.338 -5.245 6.869 515 HA HIS 65 HA HIS 65 9.902 -4.558 9.187 516 HB2 HIS 65 HB2 HIS 65 9.370 -2.976 6.668 517 HB3 HIS 65 HB1 HIS 65 10.451 -2.463 7.959 518 HD1 HIS 65 HD1 HIS 65 12.630 -4.052 8.331 519 HD2 HIS 65 HD2 HIS 65 10.441 -4.682 4.861 520 HE1 HIS 65 HE1 HIS 65 14.120 -5.343 6.784 521 H PHE 66 HN PHE 66 6.956 -3.331 7.701 522 HA PHE 66 HA PHE 66 6.496 -1.580 9.946 523 HB2 PHE 66 HB2 PHE 66 4.908 -2.133 7.456 524 HB3 PHE 66 HB1 PHE 66 4.518 -0.885 8.632 525 HD1 PHE 66 HD1 PHE 66 5.927 1.057 8.886 526 HD2 PHE 66 HD2 PHE 66 6.749 -1.947 6.036 527 HE1 PHE 66 HE1 PHE 66 7.580 2.526 7.807 528 HE2 PHE 66 HE2 PHE 66 8.374 -0.506 4.938 529 HZ PHE 66 HZ PHE 66 8.812 1.694 5.812 530 H GLY 67 HN GLY 67 4.592 -4.148 8.406 531 HA2 GLY 67 HA3 GLY 67 3.940 -5.845 10.258 532 HA3 GLY 67 HA2 GLY 67 3.090 -4.439 10.896 533 HA PRO 68 HA PRO 68 0.644 -6.756 7.544 534 HB2 PRO 68 HB2 PRO 68 -1.508 -7.373 9.140 535 HB3 PRO 68 HB1 PRO 68 -0.169 -8.477 8.800 536 HG2 PRO 68 HG2 PRO 68 -0.684 -6.790 11.204 537 HG3 PRO 68 HG1 PRO 68 0.031 -8.405 11.101 538 HD2 PRO 68 HD2 PRO 68 1.493 -6.157 11.491 539 HD3 PRO 68 HD1 PRO 68 2.136 -7.573 10.649 540 H GLU 69 HN GLU 69 -0.504 -4.682 10.131 541 HA GLU 69 HA GLU 69 -2.705 -3.685 8.523 542 HB2 GLU 69 HB3 GLU 69 -1.784 -2.771 11.261 543 HB3 GLU 69 HB2 GLU 69 -3.369 -2.537 10.534 544 HG2 GLU 69 HG3 GLU 69 -3.803 -4.917 10.637 545 HG3 GLU 69 HG2 GLU 69 -2.189 -5.210 11.264 546 H GLU 70 HN GLU 70 0.443 -2.844 9.562 547 HA GLU 70 HA GLU 70 0.316 -0.049 8.989 548 HB2 GLU 70 HB3 GLU 70 1.834 -1.352 10.624 549 HB3 GLU 70 HB2 GLU 70 2.818 -1.680 9.213 550 HG2 GLU 70 HG3 GLU 70 3.697 0.220 10.406 551 HG3 GLU 70 HG2 GLU 70 3.034 0.772 8.865 552 H ALA 71 HN ALA 71 1.750 -2.901 7.398 553 HA ALA 71 HA ALA 71 2.923 -1.795 5.140 554 HB1 ALA 71 HB1 ALA 71 2.572 -3.953 4.089 555 HB2 ALA 71 HB2 ALA 71 1.403 -4.392 5.335 556 HB3 ALA 71 HB3 ALA 71 3.094 -4.126 5.756 557 H TRP 72 HN TRP 72 -0.422 -2.849 5.557 558 HA TRP 72 HA TRP 72 -1.198 -2.233 2.955 559 HB2 TRP 72 HB2 TRP 72 -2.576 -3.736 4.217 560 HB3 TRP 72 HB1 TRP 72 -2.824 -2.536 5.480 561 HD1 TRP 72 HD1 TRP 72 -5.300 -1.933 5.395 562 HE1 TRP 72 HE1 TRP 72 -6.954 -1.197 3.584 563 HE3 TRP 72 HE3 TRP 72 -2.324 -2.505 1.287 564 HZ2 TRP 72 HZ2 TRP 72 -6.989 -0.883 0.807 565 HZ3 TRP 72 HZ3 TRP 72 -3.263 -1.977 -0.944 566 HH2 TRP 72 HH2 TRP 72 -5.549 -1.180 -1.170 567 H ARG 73 HN ARG 73 -1.319 -0.312 5.908 568 HA ARG 73 HA ARG 73 -2.618 1.856 4.714 569 HB2 ARG 73 HB2 ARG 73 -2.434 1.647 7.174 570 HB3 ARG 73 HB1 ARG 73 -0.702 1.941 7.059 571 HG2 ARG 73 HG2 ARG 73 -1.150 4.168 6.128 572 HG3 ARG 73 HG1 ARG 73 -2.879 3.883 6.296 573 HD2 ARG 73 HD2 ARG 73 -2.600 3.672 8.719 574 HD3 ARG 73 HD1 ARG 73 -0.864 3.950 8.535 575 HE ARG 73 HE ARG 73 -2.597 5.983 7.446 576 HH11 ARG 73 HH11 ARG 73 -0.672 5.002 10.271 577 HH12 ARG 73 HH12 ARG 73 -0.523 6.604 10.854 578 HH21 ARG 73 HH21 ARG 73 -2.397 8.149 8.327 579 HH22 ARG 73 HH22 ARG 73 -1.507 8.383 9.768 580 H LEU 74 HN LEU 74 0.788 1.078 5.172 581 HA LEU 74 HA LEU 74 1.998 3.316 4.112 582 HB2 LEU 74 HB2 LEU 74 2.751 0.490 4.440 583 HB3 LEU 74 HB1 LEU 74 3.644 1.344 3.208 584 HG LEU 74 HG LEU 74 4.828 1.279 5.364 585 HD11 LEU 74 HD11 LEU 74 3.953 4.040 4.544 586 HD12 LEU 74 HD12 LEU 74 5.305 3.105 3.886 587 HD13 LEU 74 HD13 LEU 74 5.345 3.648 5.551 588 HD21 LEU 74 HD21 LEU 74 2.558 2.965 6.399 589 HD22 LEU 74 HD22 LEU 74 4.037 2.561 7.270 590 HD23 LEU 74 HD23 LEU 74 2.882 1.292 6.845 591 H ALA 75 HN ALA 75 0.791 0.472 2.381 592 HA ALA 75 HA ALA 75 1.682 1.447 -0.137 593 HB1 ALA 75 HB1 ALA 75 0.323 -0.277 -1.139 594 HB2 ALA 75 HB2 ALA 75 -0.429 -0.618 0.424 595 HB3 ALA 75 HB3 ALA 75 1.299 -0.904 0.178 596 H LEU 76 HN LEU 76 -1.596 1.395 1.304 597 HA LEU 76 HA LEU 76 -2.705 2.620 -0.977 598 HB2 LEU 76 HB2 LEU 76 -4.773 2.804 0.194 599 HB3 LEU 76 HB1 LEU 76 -4.035 1.305 0.685 600 HG LEU 76 HG LEU 76 -3.233 2.764 2.740 601 HD11 LEU 76 HD11 LEU 76 -4.934 4.402 3.411 602 HD12 LEU 76 HD12 LEU 76 -5.733 4.199 1.850 603 HD13 LEU 76 HD13 LEU 76 -4.110 4.875 1.926 604 HD21 LEU 76 HD21 LEU 76 -4.606 0.795 2.928 605 HD22 LEU 76 HD22 LEU 76 -6.018 1.685 2.385 606 HD23 LEU 76 HD23 LEU 76 -5.279 2.072 3.944 607 H SER 77 HN SER 77 -1.475 3.983 2.003 608 HA SER 77 HA SER 77 -2.272 6.603 1.318 609 HB2 SER 77 HB2 SER 77 -0.658 5.334 3.435 610 HB3 SER 77 HB1 SER 77 -0.758 7.128 3.374 611 HG SER 77 HG SER 77 -3.176 6.253 3.155 612 H THR 78 HN THR 78 0.305 4.678 0.240 613 HA THR 78 HA THR 78 1.802 7.047 -0.444 614 HB THR 78 HB THR 78 2.410 4.113 -0.966 615 HG1 THR 78 HG1 THR 78 2.834 4.482 1.091 616 HG21 THR 78 HG21 THR 78 4.106 6.558 -1.525 617 HG22 THR 78 HG22 THR 78 3.401 5.490 -2.743 618 HG23 THR 78 HG23 THR 78 4.652 4.887 -1.650 619 H PHE 79 HN PHE 79 -0.418 4.721 -1.802 620 HA PHE 79 HA PHE 79 -0.102 5.065 -4.515 621 HB2 PHE 79 HB2 PHE 79 -2.683 4.728 -2.967 622 HB3 PHE 79 HB1 PHE 79 -2.589 4.644 -4.716 623 HD1 PHE 79 HD2 PHE 79 0.215 3.062 -4.410 624 HD2 PHE 79 HD1 PHE 79 -3.740 2.585 -2.919 625 HE1 PHE 79 HE2 PHE 79 0.583 0.660 -4.182 626 HE2 PHE 79 HE1 PHE 79 -3.370 0.172 -2.696 627 HZ PHE 79 HZ PHE 79 -1.202 -0.798 -3.334 628 H GLU 80 HN GLU 80 -2.237 6.865 -2.338 629 HA GLU 80 HA GLU 80 -3.293 8.756 -4.074 630 HB2 GLU 80 HB3 GLU 80 -3.487 10.200 -1.939 631 HB3 GLU 80 HB2 GLU 80 -4.306 8.638 -1.981 632 HG2 GLU 80 HG3 GLU 80 -2.837 7.649 -0.627 633 HG3 GLU 80 HG2 GLU 80 -1.552 8.823 -0.866 634 H ARG 81 HN ARG 81 -0.147 8.708 -2.615 635 HA ARG 81 HA ARG 81 0.280 11.523 -3.234 636 HB2 ARG 81 HB2 ARG 81 1.936 9.595 -1.622 637 HB3 ARG 81 HB1 ARG 81 2.271 11.319 -1.806 638 HG2 ARG 81 HG2 ARG 81 0.286 11.927 -0.719 639 HG3 ARG 81 HG1 ARG 81 -0.343 10.290 -0.755 640 HD2 ARG 81 HD2 ARG 81 1.650 9.694 0.699 641 HD3 ARG 81 HD1 ARG 81 1.858 11.434 0.913 642 HE ARG 81 HE ARG 81 -0.821 10.627 1.401 643 HH11 ARG 81 HH11 ARG 81 2.375 10.749 2.877 644 HH12 ARG 81 HH12 ARG 81 1.808 10.640 4.475 645 HH21 ARG 81 HH21 ARG 81 -1.619 10.496 3.589 646 HH22 ARG 81 HH22 ARG 81 -0.521 10.511 4.888 647 H ILE 82 HN ILE 82 0.986 8.462 -4.517 648 HA ILE 82 HA ILE 82 3.073 9.624 -6.199 649 HB ILE 82 HB ILE 82 3.485 7.357 -7.085 650 HG12 ILE 82 HG12 ILE 82 1.396 6.416 -5.104 651 HG13 ILE 82 HG11 ILE 82 1.172 6.469 -6.849 652 HG21 ILE 82 HG21 ILE 82 4.744 8.070 -5.159 653 HG22 ILE 82 HG22 ILE 82 4.421 6.338 -5.068 654 HG23 ILE 82 HG23 ILE 82 3.491 7.462 -4.074 655 HD11 ILE 82 HD11 ILE 82 3.172 4.770 -5.368 656 HD12 ILE 82 HD12 ILE 82 2.944 4.806 -7.116 657 HD13 ILE 82 HD13 ILE 82 1.652 4.215 -6.070 658 H ASN 83 HN ASN 83 0.101 10.031 -6.143 659 HA ASN 83 HA ASN 83 -1.484 10.753 -7.560 660 HB2 ASN 83 HB3 ASN 83 0.423 11.734 -8.870 661 HB3 ASN 83 HB2 ASN 83 0.526 10.251 -9.794 662 HD21 ASN 83 HD21 ASN 83 -0.947 9.895 -11.406 663 HD22 ASN 83 HD22 ASN 83 -2.032 11.109 -11.998 664 H ARG 84 HN ARG 84 -0.978 7.953 -6.930 665 HA ARG 84 HA ARG 84 -2.649 6.795 -8.991 666 HB2 ARG 84 HB2 ARG 84 -0.581 5.641 -8.569 667 HB3 ARG 84 HB1 ARG 84 -0.980 5.448 -6.874 668 HG2 ARG 84 HG2 ARG 84 -1.376 3.364 -8.154 669 HG3 ARG 84 HG1 ARG 84 -2.841 3.995 -7.398 670 HD2 ARG 84 HD2 ARG 84 -3.359 3.293 -9.590 671 HD3 ARG 84 HD1 ARG 84 -3.446 5.042 -9.482 672 HE ARG 84 HE ARG 84 -0.848 4.134 -10.397 673 HH11 ARG 84 HH11 ARG 84 -4.032 5.164 -11.619 674 HH12 ARG 84 HH12 ARG 84 -3.522 5.148 -13.240 675 HH21 ARG 84 HH21 ARG 84 -0.194 4.179 -12.494 676 HH22 ARG 84 HH22 ARG 84 -1.235 4.625 -13.784 677 H LYS 85 HN LYS 85 -4.373 8.045 -8.106 678 HA LYS 85 HA LYS 85 -5.274 7.420 -5.461 679 HB2 LYS 85 HB2 LYS 85 -5.513 9.633 -5.879 680 HB3 LYS 85 HB1 LYS 85 -5.963 9.436 -7.563 681 HG2 LYS 85 HG2 LYS 85 -8.203 8.682 -6.802 682 HG3 LYS 85 HG1 LYS 85 -7.686 8.978 -5.140 683 HD2 LYS 85 HD2 LYS 85 -7.505 11.291 -5.487 684 HD3 LYS 85 HD1 LYS 85 -7.569 11.113 -7.239 685 HE2 LYS 85 HE2 LYS 85 -9.832 10.478 -5.351 686 HE3 LYS 85 HE1 LYS 85 -9.686 11.966 -6.282 687 HZ1 LYS 85 HZ1 LYS 85 -11.097 10.557 -7.486 688 HZ2 LYS 85 HZ2 LYS 85 -10.143 9.210 -7.302 689 HZ3 LYS 85 HZ3 LYS 85 -9.624 10.470 -8.317 690 H ASP 86 HN ASP 86 -5.685 6.352 -8.590 691 HA ASP 86 HA ASP 86 -8.255 5.405 -8.832 692 HB2 ASP 86 HB2 ASP 86 -5.798 3.902 -9.754 693 HB3 ASP 86 HB1 ASP 86 -7.400 3.855 -10.472 694 H LEU 87 HN LEU 87 -5.410 3.749 -7.581 695 HA LEU 87 HA LEU 87 -6.854 1.381 -6.727 696 HB2 LEU 87 HB2 LEU 87 -4.044 2.277 -6.101 697 HB3 LEU 87 HB1 LEU 87 -4.696 0.707 -5.715 698 HG LEU 87 HG LEU 87 -4.255 1.788 -8.499 699 HD11 LEU 87 HD11 LEU 87 -2.477 0.130 -8.607 700 HD12 LEU 87 HD12 LEU 87 -2.776 -0.316 -6.927 701 HD13 LEU 87 HD13 LEU 87 -2.175 1.295 -7.321 702 HD21 LEU 87 HD21 LEU 87 -4.753 -0.494 -9.209 703 HD22 LEU 87 HD22 LEU 87 -6.136 0.256 -8.414 704 HD23 LEU 87 HD23 LEU 87 -5.152 -0.926 -7.548 705 H TRP 88 HN TRP 88 -5.816 4.323 -5.391 706 HA TRP 88 HA TRP 88 -5.703 3.767 -2.667 707 HB2 TRP 88 HB2 TRP 88 -4.737 5.704 -3.709 708 HB3 TRP 88 HB1 TRP 88 -6.283 6.264 -4.226 709 HD1 TRP 88 HD1 TRP 88 -4.465 5.632 -0.920 710 HE1 TRP 88 HE1 TRP 88 -5.270 7.359 0.800 711 HE3 TRP 88 HE3 TRP 88 -8.105 7.851 -3.660 712 HZ2 TRP 88 HZ2 TRP 88 -7.219 9.371 0.992 713 HZ3 TRP 88 HZ3 TRP 88 -9.413 9.677 -2.653 714 HH2 TRP 88 HH2 TRP 88 -8.983 10.421 -0.367 715 H GLU 89 HN GLU 89 -8.341 5.077 -4.635 716 HA GLU 89 HA GLU 89 -10.190 5.301 -2.519 717 HB2 GLU 89 HB3 GLU 89 -10.732 4.990 -5.476 718 HB3 GLU 89 HB2 GLU 89 -11.902 5.515 -4.275 719 HG2 GLU 89 HG3 GLU 89 -10.509 7.476 -3.799 720 HG3 GLU 89 HG2 GLU 89 -9.379 6.940 -5.041 721 H ARG 90 HN ARG 90 -9.373 2.687 -4.645 722 HA ARG 90 HA ARG 90 -11.582 0.981 -3.981 723 HB2 ARG 90 HB2 ARG 90 -8.826 0.129 -4.799 724 HB3 ARG 90 HB1 ARG 90 -10.287 -0.836 -4.918 725 HG2 ARG 90 HG2 ARG 90 -11.078 0.822 -6.646 726 HG3 ARG 90 HG1 ARG 90 -9.463 1.534 -6.573 727 HD2 ARG 90 HD2 ARG 90 -8.544 -0.776 -6.989 728 HD3 ARG 90 HD1 ARG 90 -10.199 -1.268 -7.336 729 HE ARG 90 HE ARG 90 -9.842 0.808 -8.985 730 HH11 ARG 90 HH11 ARG 90 -8.021 -2.173 -8.392 731 HH12 ARG 90 HH12 ARG 90 -7.231 -2.196 -9.879 732 HH21 ARG 90 HH21 ARG 90 -8.849 0.769 -11.065 733 HH22 ARG 90 HH22 ARG 90 -7.728 -0.447 -11.493 734 H GLY 91 HN GLY 91 -8.391 1.584 -2.750 735 HA2 GLY 91 HA3 GLY 91 -8.112 -0.559 -0.967 736 HA3 GLY 91 HA2 GLY 91 -7.280 0.976 -0.892 737 H GLN 92 HN GLN 92 -9.572 2.606 -0.573 738 HA GLN 92 HA GLN 92 -9.879 2.129 2.252 739 HB2 GLN 92 HB2 GLN 92 -10.913 4.455 0.631 740 HB3 GLN 92 HB1 GLN 92 -10.812 4.360 2.384 741 HG2 GLN 92 HG2 GLN 92 -8.279 4.036 2.010 742 HG3 GLN 92 HG1 GLN 92 -8.602 4.604 0.389 743 HE21 GLN 92 HE21 GLN 92 -10.735 6.445 1.401 744 HE22 GLN 92 HE22 GLN 92 -9.863 7.765 2.082 745 H ARG 93 HN ARG 93 -11.950 2.281 3.309 746 HA ARG 93 HA ARG 93 -13.962 0.801 1.787 747 HB2 ARG 93 HB2 ARG 93 -14.914 0.163 3.916 748 HB3 ARG 93 HB1 ARG 93 -13.186 -0.165 3.931 749 HG2 ARG 93 HG2 ARG 93 -12.844 1.935 5.184 750 HG3 ARG 93 HG1 ARG 93 -14.588 2.162 5.221 751 HD2 ARG 93 HD2 ARG 93 -13.120 -0.194 6.340 752 HD3 ARG 93 HD1 ARG 93 -13.629 1.226 7.272 753 HE ARG 93 HE ARG 93 -15.716 -0.284 5.873 754 HH11 ARG 93 HH11 ARG 93 -14.047 0.344 8.960 755 HH12 ARG 93 HH12 ARG 93 -15.270 -0.312 9.923 756 HH21 ARG 93 HH21 ARG 93 -17.411 -1.196 7.219 757 HH22 ARG 93 HH22 ARG 93 -17.254 -1.185 8.917 758 H GLU 94 HN GLU 94 -16.054 1.501 1.645 759 HA GLU 94 HA GLU 94 -16.678 4.070 2.889 760 HB2 GLU 94 HB3 GLU 94 -17.540 3.173 0.127 761 HB3 GLU 94 HB2 GLU 94 -18.162 4.596 0.939 762 HG2 GLU 94 HG3 GLU 94 -15.795 5.458 0.982 763 HG3 GLU 94 HG2 GLU 94 -15.383 4.117 -0.090 764 H ASP 95 HN ASP 95 -17.179 1.164 3.523 765 HA ASP 95 HA ASP 95 -20.057 1.055 3.358 766 HB2 ASP 95 HB2 ASP 95 -19.896 -1.163 4.332 767 HB3 ASP 95 HB1 ASP 95 -18.791 -1.038 2.970 768 H LEU 96 HN LEU 96 -21.366 1.525 4.868 769 HA LEU 96 HA LEU 96 -20.491 3.013 7.136 770 HB2 LEU 96 HB2 LEU 96 -22.544 3.561 5.958 771 HB3 LEU 96 HB1 LEU 96 -23.203 1.984 6.344 772 HG LEU 96 HG LEU 96 -23.189 2.601 8.736 773 HD11 LEU 96 HD11 LEU 96 -22.396 5.321 7.713 774 HD12 LEU 96 HD12 LEU 96 -21.414 4.254 8.722 775 HD13 LEU 96 HD13 LEU 96 -22.901 4.952 9.361 776 HD21 LEU 96 HD21 LEU 96 -25.090 4.149 8.615 777 HD22 LEU 96 HD22 LEU 96 -25.217 2.869 7.409 778 HD23 LEU 96 HD23 LEU 96 -24.701 4.485 6.931 779 H VAL 97 HN VAL 97 -22.345 0.096 6.772 780 HA VAL 97 HA VAL 97 -21.601 -0.683 9.497 781 HB VAL 97 HB VAL 97 -23.616 -2.041 7.670 782 HG11 VAL 97 HG11 VAL 97 -22.782 -3.477 9.451 783 HG12 VAL 97 HG12 VAL 97 -24.472 -3.058 9.731 784 HG13 VAL 97 HG13 VAL 97 -23.198 -2.253 10.651 785 HG21 VAL 97 HG21 VAL 97 -25.371 -0.909 8.957 786 HG22 VAL 97 HG22 VAL 97 -24.350 0.236 8.094 787 HG23 VAL 97 HG23 VAL 97 -24.136 0.002 9.828 788 H ARG 98 HN ARG 98 -22.342 -2.728 6.752 789 HA ARG 98 HA ARG 98 -19.623 -3.368 6.088 790 HB2 ARG 98 HB2 ARG 98 -21.537 -5.565 7.051 791 HB3 ARG 98 HB1 ARG 98 -20.015 -5.849 6.239 792 HG2 ARG 98 HG2 ARG 98 -20.341 -4.561 8.940 793 HG3 ARG 98 HG1 ARG 98 -19.875 -6.239 8.653 794 HD2 ARG 98 HD2 ARG 98 -18.330 -3.819 7.704 795 HD3 ARG 98 HD1 ARG 98 -17.962 -4.746 9.151 796 HE ARG 98 HE ARG 98 -17.671 -6.667 7.637 797 HH11 ARG 98 HH11 ARG 98 -17.262 -3.364 6.243 798 HH12 ARG 98 HH12 ARG 98 -15.998 -3.830 5.231 799 HH21 ARG 98 HH21 ARG 98 -15.941 -7.250 6.157 800 HH22 ARG 98 HH22 ARG 98 -15.224 -6.080 5.157 801 H ASP 99 HN ASP 99 -22.925 -4.548 5.864 802 HA ASP 99 HA ASP 99 -22.917 -4.278 2.950 803 HB2 ASP 99 HB2 ASP 99 -23.857 -6.359 3.999 804 HB3 ASP 99 HB1 ASP 99 -25.017 -5.361 4.866 805 H THR 100 HN THR 100 -23.853 -2.431 2.102 806 HA THR 100 HA THR 100 -25.578 -0.895 3.842 807 HB THR 100 HB THR 100 -23.409 0.501 2.319 808 HG1 THR 100 HG1 THR 100 -22.523 -1.135 3.807 809 HG21 THR 100 HG21 THR 100 -24.936 1.107 4.854 810 HG22 THR 100 HG22 THR 100 -25.218 1.821 3.263 811 HG23 THR 100 HG23 THR 100 -23.717 2.151 4.135 812 H VAL 101 HN VAL 101 -26.797 0.634 2.581 813 HA VAL 101 HA VAL 101 -27.345 -0.440 -0.038 814 HB VAL 101 HB VAL 101 -29.439 0.892 0.116 815 HG11 VAL 101 HG11 VAL 101 -28.757 -0.884 2.442 816 HG12 VAL 101 HG12 VAL 101 -29.378 -1.403 0.881 817 HG13 VAL 101 HG13 VAL 101 -30.406 -0.455 1.971 818 HG21 VAL 101 HG21 VAL 101 -28.390 1.582 2.864 819 HG22 VAL 101 HG22 VAL 101 -30.010 1.956 2.269 820 HG23 VAL 101 HG23 VAL 101 -28.593 2.715 1.532 821 H GLU 102 HN GLU 102 -27.617 0.872 -1.849 822 HA GLU 102 HA GLU 102 -26.495 3.528 -1.799 823 HB2 GLU 102 HB3 GLU 102 -24.556 2.115 -2.245 824 HB3 GLU 102 HB2 GLU 102 -25.413 1.268 -3.513 825 HG2 GLU 102 HG3 GLU 102 -25.566 3.407 -4.758 826 HG3 GLU 102 HG2 GLU 102 -24.543 4.136 -3.518 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 1.680 -10.774 -11.813 2 H2 GLY 1 HT2 GLY 1 3.146 -10.035 -11.438 3 H3 GLY 1 HT3 GLY 1 1.886 -10.052 -10.304 4 HA2 GLY 1 HA2 GLY 1 3.400 -12.384 -11.304 5 HA3 GLY 1 HA3 GLY 1 3.449 -11.720 -9.669 6 H HIS 2 HN HIS 2 2.799 -13.936 -9.061 7 HA HIS 2 HA HIS 2 0.222 -14.766 -9.929 8 HB2 HIS 2 HB2 HIS 2 0.450 -16.699 -8.424 9 HB3 HIS 2 HB1 HIS 2 1.885 -16.492 -9.404 10 HD1 HIS 2 HD1 HIS 2 4.105 -15.930 -8.118 11 HD2 HIS 2 HD2 HIS 2 0.775 -16.410 -5.676 12 HE1 HIS 2 HE1 HIS 2 4.987 -16.211 -5.770 13 H MET 3 HN MET 3 -1.663 -14.632 -9.013 14 HA MET 3 HA MET 3 -2.076 -12.671 -6.986 15 HB2 MET 3 HB2 MET 3 -3.942 -14.571 -8.386 16 HB3 MET 3 HB1 MET 3 -4.490 -13.422 -7.179 17 HG2 MET 3 HG2 MET 3 -3.118 -12.722 -9.769 18 HG3 MET 3 HG1 MET 3 -4.852 -12.648 -9.483 19 HE1 MET 3 HE1 MET 3 -4.942 -11.548 -6.479 20 HE2 MET 3 HE2 MET 3 -5.995 -10.974 -7.770 21 HE3 MET 3 HE3 MET 3 -5.103 -9.821 -6.778 22 H LEU 4 HN LEU 4 -2.137 -12.972 -4.883 23 HA LEU 4 HA LEU 4 -1.858 -15.593 -3.768 24 HB2 LEU 4 HB2 LEU 4 -2.230 -12.882 -2.459 25 HB3 LEU 4 HB1 LEU 4 -2.062 -14.366 -1.553 26 HG LEU 4 HG LEU 4 0.012 -13.221 -1.474 27 HD11 LEU 4 HD11 LEU 4 1.575 -14.794 -2.464 28 HD12 LEU 4 HD12 LEU 4 0.263 -15.495 -3.407 29 HD13 LEU 4 HD13 LEU 4 0.232 -15.588 -1.645 30 HD21 LEU 4 HD21 LEU 4 1.328 -12.615 -3.473 31 HD22 LEU 4 HD22 LEU 4 -0.194 -11.733 -3.379 32 HD23 LEU 4 HD23 LEU 4 -0.030 -13.094 -4.491 33 H ARG 5 HN ARG 5 -3.431 -16.879 -3.145 34 HA ARG 5 HA ARG 5 -6.134 -15.741 -3.010 35 HB2 ARG 5 HB2 ARG 5 -5.271 -18.514 -3.847 36 HB3 ARG 5 HB1 ARG 5 -6.939 -17.980 -3.690 37 HG2 ARG 5 HG2 ARG 5 -4.984 -16.656 -5.557 38 HG3 ARG 5 HG1 ARG 5 -5.971 -18.023 -6.049 39 HD2 ARG 5 HD2 ARG 5 -7.015 -15.954 -6.766 40 HD3 ARG 5 HD1 ARG 5 -7.997 -16.716 -5.522 41 HE ARG 5 HE ARG 5 -6.192 -14.723 -4.493 42 HH11 ARG 5 HH11 ARG 5 -9.359 -15.197 -6.040 43 HH12 ARG 5 HH12 ARG 5 -10.037 -13.790 -5.370 44 HH21 ARG 5 HH21 ARG 5 -7.177 -12.762 -3.559 45 HH22 ARG 5 HH22 ARG 5 -8.772 -12.364 -3.960 46 H THR 6 HN THR 6 -4.426 -18.649 -1.868 47 HA THR 6 HA THR 6 -5.341 -17.891 0.772 48 HB THR 6 HB THR 6 -5.333 -20.760 -0.246 49 HG1 THR 6 HG1 THR 6 -7.094 -19.700 -1.096 50 HG21 THR 6 HG21 THR 6 -6.422 -21.260 1.887 51 HG22 THR 6 HG22 THR 6 -6.293 -19.567 2.365 52 HG23 THR 6 HG23 THR 6 -4.834 -20.541 2.158 53 H ALA 7 HN ALA 7 -3.367 -16.929 0.941 54 HA ALA 7 HA ALA 7 -1.380 -18.414 2.186 55 HB1 ALA 7 HB1 ALA 7 -0.755 -19.062 -0.109 56 HB2 ALA 7 HB2 ALA 7 0.463 -17.991 0.582 57 HB3 ALA 7 HB3 ALA 7 -0.704 -17.363 -0.580 58 H GLY 8 HN GLY 8 0.154 -16.911 3.085 59 HA2 GLY 8 HA3 GLY 8 1.071 -14.762 3.315 60 HA3 GLY 8 HA2 GLY 8 -0.328 -14.103 2.476 61 H ARG 9 HN ARG 9 -1.420 -12.882 3.765 62 HA ARG 9 HA ARG 9 -2.592 -13.708 6.199 63 HB2 ARG 9 HB2 ARG 9 -0.094 -13.195 6.767 64 HB3 ARG 9 HB1 ARG 9 -0.476 -11.533 6.391 65 HG2 ARG 9 HG2 ARG 9 -1.833 -13.129 8.551 66 HG3 ARG 9 HG1 ARG 9 -0.416 -12.122 8.814 67 HD2 ARG 9 HD2 ARG 9 -1.730 -10.166 8.031 68 HD3 ARG 9 HD1 ARG 9 -3.145 -11.206 7.901 69 HE ARG 9 HE ARG 9 -2.272 -11.567 10.444 70 HH11 ARG 9 HH11 ARG 9 -3.447 -8.771 8.573 71 HH12 ARG 9 HH12 ARG 9 -3.738 -7.818 9.965 72 HH21 ARG 9 HH21 ARG 9 -2.801 -10.268 12.322 73 HH22 ARG 9 HH22 ARG 9 -3.448 -8.702 12.110 74 H ASP 10 HN ASP 10 -4.370 -12.249 6.479 75 HA ASP 10 HA ASP 10 -4.955 -10.615 4.281 76 HB2 ASP 10 HB2 ASP 10 -6.282 -10.661 7.009 77 HB3 ASP 10 HB1 ASP 10 -6.894 -9.749 5.637 78 H GLY 11 HN GLY 11 -4.556 -8.677 3.799 79 HA2 GLY 11 HA3 GLY 11 -4.126 -6.346 4.520 80 HA3 GLY 11 HA2 GLY 11 -2.976 -7.051 5.669 81 H LEU 12 HN LEU 12 -1.928 -9.039 4.169 82 HA LEU 12 HA LEU 12 0.038 -7.607 2.577 83 HB2 LEU 12 HB2 LEU 12 0.346 -9.571 4.271 84 HB3 LEU 12 HB1 LEU 12 -0.227 -10.575 2.992 85 HG LEU 12 HG LEU 12 2.311 -8.929 2.762 86 HD11 LEU 12 HD11 LEU 12 2.489 -10.597 4.528 87 HD12 LEU 12 HD12 LEU 12 3.494 -11.018 3.144 88 HD13 LEU 12 HD13 LEU 12 1.961 -11.852 3.408 89 HD21 LEU 12 HD21 LEU 12 1.282 -11.239 1.094 90 HD22 LEU 12 HD22 LEU 12 2.816 -10.398 0.873 91 HD23 LEU 12 HD23 LEU 12 1.296 -9.547 0.596 92 H CYS 13 HN CYS 13 -2.463 -10.009 2.206 93 HA CYS 13 HA CYS 13 -1.991 -10.751 -0.436 94 HB2 CYS 13 HB2 CYS 13 -4.533 -10.833 1.152 95 HB3 CYS 13 HB1 CYS 13 -4.147 -11.842 -0.260 96 HG CYS 13 HG CYS 13 -2.779 -13.689 1.059 97 H ARG 14 HN ARG 14 -4.040 -8.187 0.908 98 HA ARG 14 HA ARG 14 -5.080 -7.498 -1.705 99 HB2 ARG 14 HB2 ARG 14 -6.442 -7.323 0.381 100 HB3 ARG 14 HB1 ARG 14 -5.368 -6.065 0.954 101 HG2 ARG 14 HG2 ARG 14 -6.133 -4.575 -0.786 102 HG3 ARG 14 HG1 ARG 14 -7.103 -5.866 -1.511 103 HD2 ARG 14 HD2 ARG 14 -8.454 -6.011 0.523 104 HD3 ARG 14 HD1 ARG 14 -7.474 -4.762 1.281 105 HE ARG 14 HE ARG 14 -8.501 -3.703 -1.067 106 HH11 ARG 14 HH11 ARG 14 -9.910 -5.040 1.913 107 HH12 ARG 14 HH12 ARG 14 -11.159 -3.888 2.012 108 HH21 ARG 14 HH21 ARG 14 -10.318 -2.113 -0.923 109 HH22 ARG 14 HH22 ARG 14 -11.393 -2.246 0.395 110 H LEU 15 HN LEU 15 -2.311 -6.791 0.126 111 HA LEU 15 HA LEU 15 -1.773 -4.115 -0.669 112 HB2 LEU 15 HB2 LEU 15 -0.993 -5.513 1.372 113 HB3 LEU 15 HB1 LEU 15 0.136 -6.254 0.279 114 HG LEU 15 HG LEU 15 0.103 -3.368 1.144 115 HD11 LEU 15 HD11 LEU 15 2.155 -3.909 2.292 116 HD12 LEU 15 HD12 LEU 15 1.959 -5.603 1.836 117 HD13 LEU 15 HD13 LEU 15 0.780 -4.832 2.897 118 HD21 LEU 15 HD21 LEU 15 2.262 -3.178 0.035 119 HD22 LEU 15 HD22 LEU 15 0.960 -3.527 -1.104 120 HD23 LEU 15 HD23 LEU 15 2.063 -4.809 -0.610 121 H SER 16 HN SER 16 -0.578 -7.344 -1.498 122 HA SER 16 HA SER 16 1.251 -6.670 -3.482 123 HB2 SER 16 HB2 SER 16 1.059 -8.886 -2.313 124 HB3 SER 16 HB1 SER 16 -0.367 -9.226 -3.287 125 HG SER 16 HG SER 16 0.866 -9.565 -4.993 126 H THR 17 HN THR 17 -2.194 -7.517 -3.749 127 HA THR 17 HA THR 17 -2.507 -7.665 -6.463 128 HB THR 17 HB THR 17 -4.436 -6.684 -4.365 129 HG1 THR 17 HG1 THR 17 -5.077 -8.951 -4.520 130 HG21 THR 17 HG21 THR 17 -5.279 -6.156 -6.602 131 HG22 THR 17 HG22 THR 17 -6.195 -7.502 -5.926 132 HG23 THR 17 HG23 THR 17 -4.948 -7.799 -7.138 133 H TYR 18 HN TYR 18 -2.426 -4.744 -4.452 134 HA TYR 18 HA TYR 18 -3.229 -3.194 -6.736 135 HB2 TYR 18 HB2 TYR 18 -2.654 -2.377 -3.902 136 HB3 TYR 18 HB1 TYR 18 -3.023 -1.206 -5.162 137 HD1 TYR 18 HD2 TYR 18 -5.171 -2.421 -6.670 138 HD2 TYR 18 HD1 TYR 18 -4.467 -2.532 -2.494 139 HE1 TYR 18 HE2 TYR 18 -7.561 -2.780 -6.293 140 HE2 TYR 18 HE1 TYR 18 -6.882 -2.901 -2.099 141 HH TYR 18 HH TYR 18 -9.074 -2.417 -3.355 142 H LEU 19 HN LEU 19 -0.300 -3.999 -5.121 143 HA LEU 19 HA LEU 19 1.299 -2.006 -6.370 144 HB2 LEU 19 HB2 LEU 19 1.976 -4.708 -5.226 145 HB3 LEU 19 HB1 LEU 19 3.177 -3.598 -5.853 146 HG LEU 19 HG LEU 19 1.373 -2.983 -3.495 147 HD11 LEU 19 HD11 LEU 19 4.233 -3.907 -3.619 148 HD12 LEU 19 HD12 LEU 19 2.839 -4.809 -2.985 149 HD13 LEU 19 HD13 LEU 19 3.377 -3.345 -2.179 150 HD21 LEU 19 HD21 LEU 19 2.186 -1.032 -4.754 151 HD22 LEU 19 HD22 LEU 19 3.839 -1.606 -4.556 152 HD23 LEU 19 HD23 LEU 19 2.888 -1.140 -3.147 153 H GLU 20 HN GLU 20 0.026 -5.053 -7.314 154 HA GLU 20 HA GLU 20 1.560 -5.795 -9.481 155 HB2 GLU 20 HB3 GLU 20 -1.371 -6.111 -8.934 156 HB3 GLU 20 HB2 GLU 20 -0.596 -6.792 -10.353 157 HG2 GLU 20 HG3 GLU 20 0.241 -7.397 -7.529 158 HG3 GLU 20 HG2 GLU 20 -0.895 -8.375 -8.458 159 H GLU 21 HN GLU 21 -0.828 -3.210 -9.308 160 HA GLU 21 HA GLU 21 -0.910 -2.964 -12.205 161 HB2 GLU 21 HB3 GLU 21 -2.352 -1.500 -10.023 162 HB3 GLU 21 HB2 GLU 21 -2.650 -1.297 -11.740 163 HG2 GLU 21 HG3 GLU 21 -3.055 -3.851 -10.195 164 HG3 GLU 21 HG2 GLU 21 -4.330 -2.726 -10.655 165 H LEU 22 HN LEU 22 1.462 -2.259 -10.439 166 HA LEU 22 HA LEU 22 1.734 0.527 -11.317 167 HB2 LEU 22 HB2 LEU 22 3.221 -0.832 -9.052 168 HB3 LEU 22 HB1 LEU 22 3.381 0.828 -9.546 169 HG LEU 22 HG LEU 22 0.957 -0.408 -8.258 170 HD11 LEU 22 HD11 LEU 22 2.801 -0.117 -6.727 171 HD12 LEU 22 HD12 LEU 22 1.537 1.070 -6.397 172 HD13 LEU 22 HD13 LEU 22 3.002 1.555 -7.254 173 HD21 LEU 22 HD21 LEU 22 0.319 1.350 -9.832 174 HD22 LEU 22 HD22 LEU 22 1.476 2.447 -9.071 175 HD23 LEU 22 HD23 LEU 22 0.090 1.848 -8.155 176 H GLU 23 HN GLU 23 3.642 1.032 -12.379 177 HA GLU 23 HA GLU 23 5.099 -1.284 -13.366 178 HB2 GLU 23 HB3 GLU 23 5.880 0.209 -15.168 179 HB3 GLU 23 HB2 GLU 23 4.125 0.231 -15.016 180 HG2 GLU 23 HG3 GLU 23 4.161 2.307 -13.942 181 HG3 GLU 23 HG2 GLU 23 5.929 2.318 -13.892 182 H ALA 24 HN ALA 24 7.536 -0.563 -13.889 183 HA ALA 24 HA ALA 24 8.843 -0.593 -11.470 184 HB1 ALA 24 HB1 ALA 24 9.846 -1.299 -13.610 185 HB2 ALA 24 HB2 ALA 24 10.908 -0.267 -12.652 186 HB3 ALA 24 HB3 ALA 24 10.056 0.398 -14.042 187 H VAL 25 HN VAL 25 8.368 2.292 -13.522 188 HA VAL 25 HA VAL 25 9.755 3.975 -11.707 189 HB VAL 25 HB VAL 25 9.440 4.760 -14.021 190 HG11 VAL 25 HG11 VAL 25 7.228 3.881 -14.480 191 HG12 VAL 25 HG12 VAL 25 7.293 5.621 -14.797 192 HG13 VAL 25 HG13 VAL 25 6.542 5.020 -13.317 193 HG21 VAL 25 HG21 VAL 25 8.051 6.546 -12.066 194 HG22 VAL 25 HG22 VAL 25 8.765 7.064 -13.597 195 HG23 VAL 25 HG23 VAL 25 9.802 6.452 -12.294 196 H GLU 26 HN GLU 26 6.388 3.057 -11.897 197 HA GLU 26 HA GLU 26 5.482 4.967 -9.999 198 HB2 GLU 26 HB3 GLU 26 4.240 2.343 -10.824 199 HB3 GLU 26 HB2 GLU 26 3.412 3.626 -9.947 200 HG2 GLU 26 HG3 GLU 26 4.557 3.815 -12.717 201 HG3 GLU 26 HG2 GLU 26 2.837 3.617 -12.361 202 H LEU 27 HN LEU 27 6.528 1.625 -9.812 203 HA LEU 27 HA LEU 27 6.137 1.264 -7.047 204 HB2 LEU 27 HB2 LEU 27 8.120 -0.005 -8.937 205 HB3 LEU 27 HB1 LEU 27 7.881 -0.512 -7.280 206 HG LEU 27 HG LEU 27 5.726 -0.625 -9.396 207 HD11 LEU 27 HD11 LEU 27 6.157 -3.032 -9.429 208 HD12 LEU 27 HD12 LEU 27 7.517 -2.811 -8.328 209 HD13 LEU 27 HD13 LEU 27 7.576 -2.127 -9.955 210 HD21 LEU 27 HD21 LEU 27 4.889 -0.482 -7.110 211 HD22 LEU 27 HD22 LEU 27 5.935 -1.815 -6.632 212 HD23 LEU 27 HD23 LEU 27 4.618 -2.094 -7.773 213 H LYS 28 HN LYS 28 8.860 2.451 -8.945 214 HA LYS 28 HA LYS 28 10.735 2.697 -6.905 215 HB2 LYS 28 HB2 LYS 28 11.241 2.903 -9.328 216 HB3 LYS 28 HB1 LYS 28 10.442 4.469 -9.339 217 HG2 LYS 28 HG2 LYS 28 12.091 5.326 -7.760 218 HG3 LYS 28 HG1 LYS 28 12.883 3.751 -7.740 219 HD2 LYS 28 HD2 LYS 28 13.280 3.981 -10.176 220 HD3 LYS 28 HD1 LYS 28 12.604 5.609 -10.096 221 HE2 LYS 28 HE2 LYS 28 15.042 5.682 -10.001 222 HE3 LYS 28 HE1 LYS 28 14.341 6.250 -8.486 223 HZ1 LYS 28 HZ1 LYS 28 15.430 3.525 -8.959 224 HZ2 LYS 28 HZ2 LYS 28 14.811 4.070 -7.496 225 HZ3 LYS 28 HZ3 LYS 28 16.206 4.738 -8.102 226 H LYS 29 HN LYS 29 8.264 4.928 -8.023 227 HA LYS 29 HA LYS 29 8.996 7.100 -6.374 228 HB2 LYS 29 HB2 LYS 29 6.325 6.406 -7.545 229 HB3 LYS 29 HB1 LYS 29 6.692 7.936 -6.767 230 HG2 LYS 29 HG2 LYS 29 8.456 8.316 -8.543 231 HG3 LYS 29 HG1 LYS 29 7.870 6.854 -9.313 232 HD2 LYS 29 HD2 LYS 29 6.121 9.231 -8.707 233 HD3 LYS 29 HD1 LYS 29 6.911 8.933 -10.260 234 HE2 LYS 29 HE2 LYS 29 5.726 6.896 -10.542 235 HE3 LYS 29 HE1 LYS 29 4.996 7.015 -8.940 236 HZ1 LYS 29 HZ1 LYS 29 3.533 7.639 -10.752 237 HZ2 LYS 29 HZ2 LYS 29 4.557 8.925 -11.167 238 HZ3 LYS 29 HZ3 LYS 29 3.753 8.938 -9.686 239 H PHE 30 HN PHE 30 6.696 4.461 -5.924 240 HA PHE 30 HA PHE 30 5.732 5.436 -3.465 241 HB2 PHE 30 HB2 PHE 30 4.163 3.858 -3.835 242 HB3 PHE 30 HB1 PHE 30 5.095 3.275 -5.200 243 HD1 PHE 30 HD1 PHE 30 6.448 1.296 -4.992 244 HD2 PHE 30 HD2 PHE 30 4.151 2.671 -1.681 245 HE1 PHE 30 HE1 PHE 30 6.733 -0.874 -3.888 246 HE2 PHE 30 HE2 PHE 30 4.446 0.503 -0.581 247 HZ PHE 30 HZ PHE 30 5.741 -1.275 -1.693 248 H LYS 31 HN LYS 31 8.347 3.217 -4.252 249 HA LYS 31 HA LYS 31 8.821 2.683 -1.446 250 HB2 LYS 31 HB2 LYS 31 10.594 1.271 -2.103 251 HB3 LYS 31 HB1 LYS 31 9.254 0.967 -3.203 252 HG2 LYS 31 HG2 LYS 31 10.412 2.379 -4.869 253 HG3 LYS 31 HG1 LYS 31 11.765 2.520 -3.736 254 HD2 LYS 31 HD2 LYS 31 11.841 0.008 -3.685 255 HD3 LYS 31 HD1 LYS 31 10.703 0.019 -5.030 256 HE2 LYS 31 HE2 LYS 31 12.948 -0.240 -5.863 257 HE3 LYS 31 HE1 LYS 31 12.331 1.341 -6.338 258 HZ1 LYS 31 HZ1 LYS 31 14.653 1.337 -5.466 259 HZ2 LYS 31 HZ2 LYS 31 14.064 0.904 -3.967 260 HZ3 LYS 31 HZ3 LYS 31 13.616 2.382 -4.659 261 H LEU 32 HN LEU 32 9.896 5.127 -3.592 262 HA LEU 32 HA LEU 32 12.054 5.678 -1.803 263 HB2 LEU 32 HB2 LEU 32 12.497 7.694 -3.099 264 HB3 LEU 32 HB1 LEU 32 12.297 6.319 -4.148 265 HG LEU 32 HG LEU 32 9.909 7.249 -4.539 266 HD11 LEU 32 HD11 LEU 32 11.247 9.753 -3.521 267 HD12 LEU 32 HD12 LEU 32 9.878 8.922 -2.782 268 HD13 LEU 32 HD13 LEU 32 9.699 9.676 -4.366 269 HD21 LEU 32 HD21 LEU 32 11.624 7.178 -6.240 270 HD22 LEU 32 HD22 LEU 32 12.352 8.650 -5.600 271 HD23 LEU 32 HD23 LEU 32 10.746 8.705 -6.330 272 H TYR 33 HN TYR 33 8.778 6.702 -2.288 273 HA TYR 33 HA TYR 33 8.820 8.886 -0.556 274 HB2 TYR 33 HB2 TYR 33 6.996 8.476 -2.170 275 HB3 TYR 33 HB1 TYR 33 6.459 7.109 -1.196 276 HD1 TYR 33 HD2 TYR 33 6.703 10.762 -1.368 277 HD2 TYR 33 HD1 TYR 33 5.289 7.458 0.912 278 HE1 TYR 33 HE2 TYR 33 5.386 12.292 0.023 279 HE2 TYR 33 HE1 TYR 33 3.986 8.943 2.304 280 HH TYR 33 HH TYR 33 4.231 11.451 2.933 281 H LEU 34 HN LEU 34 7.957 5.498 0.100 282 HA LEU 34 HA LEU 34 7.877 6.273 2.902 283 HB2 LEU 34 HB2 LEU 34 6.899 4.002 3.298 284 HB3 LEU 34 HB1 LEU 34 5.921 5.139 2.402 285 HG LEU 34 HG LEU 34 6.627 3.916 0.297 286 HD11 LEU 34 HD11 LEU 34 7.439 1.633 0.506 287 HD12 LEU 34 HD12 LEU 34 7.617 1.846 2.245 288 HD13 LEU 34 HD13 LEU 34 8.616 2.787 1.136 289 HD21 LEU 34 HD21 LEU 34 5.137 2.355 2.376 290 HD22 LEU 34 HD22 LEU 34 5.019 2.152 0.619 291 HD23 LEU 34 HD23 LEU 34 4.488 3.655 1.383 292 H GLY 35 HN GLY 35 10.171 5.096 0.907 293 HA2 GLY 35 HA3 GLY 35 11.186 3.321 2.938 294 HA3 GLY 35 HA2 GLY 35 11.865 3.436 1.319 295 H THR 36 HN THR 36 12.239 6.210 1.209 296 HA THR 36 HA THR 36 14.360 6.557 3.234 297 HB THR 36 HB THR 36 15.146 6.586 0.858 298 HG1 THR 36 HG1 THR 36 16.175 7.940 2.479 299 HG21 THR 36 HG21 THR 36 13.473 9.082 0.554 300 HG22 THR 36 HG22 THR 36 13.134 7.518 -0.182 301 HG23 THR 36 HG23 THR 36 14.571 8.418 -0.658 302 H ALA 37 HN ALA 37 11.546 7.016 3.513 303 HA ALA 37 HA ALA 37 10.775 9.719 3.509 304 HB1 ALA 37 HB1 ALA 37 9.202 7.900 3.553 305 HB2 ALA 37 HB2 ALA 37 8.950 8.989 4.923 306 HB3 ALA 37 HB3 ALA 37 9.764 7.438 5.156 307 H THR 38 HN THR 38 11.409 11.314 4.792 308 HA THR 38 HA THR 38 12.752 10.890 7.269 309 HB THR 38 HB THR 38 11.533 13.456 6.183 310 HG1 THR 38 HG1 THR 38 14.112 12.298 5.790 311 HG21 THR 38 HG21 THR 38 13.810 12.987 8.126 312 HG22 THR 38 HG22 THR 38 12.188 13.504 8.571 313 HG23 THR 38 HG23 THR 38 13.211 14.561 7.603 314 H GLU 39 HN GLU 39 9.566 11.378 6.161 315 HA GLU 39 HA GLU 39 8.371 12.150 8.622 316 HB2 GLU 39 HB3 GLU 39 6.186 11.559 7.619 317 HB3 GLU 39 HB2 GLU 39 7.154 12.588 6.579 318 HG2 GLU 39 HG3 GLU 39 7.687 10.750 5.147 319 HG3 GLU 39 HG2 GLU 39 6.944 9.603 6.263 320 H LEU 40 HN LEU 40 9.526 9.173 7.575 321 HA LEU 40 HA LEU 40 7.969 7.668 9.555 322 HB2 LEU 40 HB2 LEU 40 9.754 6.933 7.304 323 HB3 LEU 40 HB1 LEU 40 9.634 5.835 8.654 324 HG LEU 40 HG LEU 40 7.209 5.613 8.250 325 HD11 LEU 40 HD11 LEU 40 7.698 7.340 5.843 326 HD12 LEU 40 HD12 LEU 40 6.696 7.752 7.246 327 HD13 LEU 40 HD13 LEU 40 6.242 6.413 6.184 328 HD21 LEU 40 HD21 LEU 40 8.750 4.056 7.270 329 HD22 LEU 40 HD22 LEU 40 8.945 5.107 5.869 330 HD23 LEU 40 HD23 LEU 40 7.386 4.351 6.188 331 H GLY 41 HN GLY 41 10.569 9.576 9.580 332 HA2 GLY 41 HA3 GLY 41 12.182 9.927 11.159 333 HA3 GLY 41 HA2 GLY 41 11.648 8.465 11.985 334 H GLU 42 HN GLU 42 12.289 6.486 11.140 335 HA GLU 42 HA GLU 42 15.075 6.406 10.399 336 HB2 GLU 42 HB3 GLU 42 13.098 4.139 10.530 337 HB3 GLU 42 HB2 GLU 42 14.839 3.997 10.455 338 HG2 GLU 42 HG3 GLU 42 14.993 5.055 12.652 339 HG3 GLU 42 HG2 GLU 42 13.229 5.135 12.712 340 H GLY 43 HN GLY 43 12.024 5.533 8.909 341 HA2 GLY 43 HA3 GLY 43 11.534 5.100 6.650 342 HA3 GLY 43 HA2 GLY 43 13.240 5.411 6.262 343 H LYS 44 HN LYS 44 10.941 3.043 7.259 344 HA LYS 44 HA LYS 44 12.628 1.194 8.477 345 HB2 LYS 44 HB2 LYS 44 9.978 0.778 7.135 346 HB3 LYS 44 HB1 LYS 44 10.841 -0.445 8.049 347 HG2 LYS 44 HG2 LYS 44 9.863 2.182 9.163 348 HG3 LYS 44 HG1 LYS 44 9.044 0.633 9.344 349 HD2 LYS 44 HD2 LYS 44 11.107 -0.231 10.482 350 HD3 LYS 44 HD1 LYS 44 11.756 1.409 10.431 351 HE2 LYS 44 HE2 LYS 44 9.791 2.186 11.707 352 HE3 LYS 44 HE1 LYS 44 9.224 0.524 11.806 353 HZ1 LYS 44 HZ1 LYS 44 10.349 1.076 13.814 354 HZ2 LYS 44 HZ2 LYS 44 11.704 1.640 12.986 355 HZ3 LYS 44 HZ3 LYS 44 11.360 0.003 12.997 356 H ILE 45 HN ILE 45 11.871 1.583 5.094 357 HA ILE 45 HA ILE 45 12.923 -1.020 4.454 358 HB ILE 45 HB ILE 45 12.208 1.221 2.564 359 HG12 ILE 45 HG12 ILE 45 10.300 0.491 3.957 360 HG13 ILE 45 HG11 ILE 45 10.070 0.120 2.249 361 HG21 ILE 45 HG21 ILE 45 13.733 -0.438 1.615 362 HG22 ILE 45 HG22 ILE 45 12.149 -0.580 0.851 363 HG23 ILE 45 HG23 ILE 45 12.654 -1.733 2.098 364 HD11 ILE 45 HD11 ILE 45 10.875 -1.823 4.432 365 HD12 ILE 45 HD12 ILE 45 10.701 -2.231 2.727 366 HD13 ILE 45 HD13 ILE 45 9.295 -1.729 3.657 367 HA PRO 46 HA PRO 46 17.051 0.632 4.032 368 HB2 PRO 46 HB2 PRO 46 18.102 -1.694 2.967 369 HB3 PRO 46 HB1 PRO 46 18.033 -1.316 4.687 370 HG2 PRO 46 HG2 PRO 46 16.267 -3.032 3.044 371 HG3 PRO 46 HG1 PRO 46 16.767 -3.203 4.763 372 HD2 PRO 46 HD2 PRO 46 14.333 -2.356 3.847 373 HD3 PRO 46 HD1 PRO 46 14.985 -1.901 5.429 374 H TRP 47 HN TRP 47 18.023 1.470 2.458 375 HA TRP 47 HA TRP 47 16.909 2.580 0.373 376 HB2 TRP 47 HB2 TRP 47 19.811 1.852 0.571 377 HB3 TRP 47 HB1 TRP 47 19.134 3.151 -0.411 378 HD1 TRP 47 HD1 TRP 47 18.601 5.413 0.779 379 HE1 TRP 47 HE1 TRP 47 18.899 6.309 3.166 380 HE3 TRP 47 HE3 TRP 47 19.800 1.036 3.152 381 HZ2 TRP 47 HZ2 TRP 47 19.555 5.298 5.726 382 HZ3 TRP 47 HZ3 TRP 47 20.225 1.071 5.555 383 HH2 TRP 47 HH2 TRP 47 20.113 3.168 6.832 384 H GLY 48 HN GLY 48 18.580 -0.571 -0.010 385 HA2 GLY 48 HA3 GLY 48 17.560 -0.513 -2.768 386 HA3 GLY 48 HA2 GLY 48 19.168 -1.101 -2.395 387 H SER 49 HN SER 49 16.409 -1.786 -0.305 388 HA SER 49 HA SER 49 16.865 -4.569 -0.857 389 HB2 SER 49 HB2 SER 49 16.723 -3.752 1.394 390 HB3 SER 49 HB1 SER 49 15.040 -3.240 1.159 391 HG SER 49 HG SER 49 14.983 -5.242 2.126 392 H MET 50 HN MET 50 14.600 -2.129 -1.836 393 HA MET 50 HA MET 50 12.932 -4.311 -2.832 394 HB2 MET 50 HB2 MET 50 12.006 -1.479 -2.234 395 HB3 MET 50 HB1 MET 50 11.020 -2.725 -3.005 396 HG2 MET 50 HG2 MET 50 11.507 -4.100 -0.935 397 HG3 MET 50 HG1 MET 50 12.016 -2.590 -0.191 398 HE1 MET 50 HE1 MET 50 10.279 -0.471 0.087 399 HE2 MET 50 HE2 MET 50 8.588 -0.563 -0.405 400 HE3 MET 50 HE3 MET 50 9.861 -0.590 -1.622 401 H GLU 51 HN GLU 51 15.312 -3.326 -4.077 402 HA GLU 51 HA GLU 51 14.539 -1.840 -6.420 403 HB2 GLU 51 HB3 GLU 51 17.025 -3.472 -5.823 404 HB3 GLU 51 HB2 GLU 51 16.758 -2.565 -7.288 405 HG2 GLU 51 HG3 GLU 51 16.843 -1.356 -4.544 406 HG3 GLU 51 HG2 GLU 51 18.215 -1.431 -5.653 407 H LYS 52 HN LYS 52 15.553 -5.161 -5.798 408 HA LYS 52 HA LYS 52 14.704 -6.060 -8.429 409 HB2 LYS 52 HB2 LYS 52 15.924 -7.542 -6.111 410 HB3 LYS 52 HB1 LYS 52 15.617 -8.222 -7.699 411 HG2 LYS 52 HG2 LYS 52 17.447 -5.902 -7.155 412 HG3 LYS 52 HG1 LYS 52 17.971 -7.573 -7.330 413 HD2 LYS 52 HD2 LYS 52 16.991 -7.591 -9.609 414 HD3 LYS 52 HD1 LYS 52 16.591 -5.882 -9.417 415 HE2 LYS 52 HE2 LYS 52 18.660 -6.128 -10.662 416 HE3 LYS 52 HE1 LYS 52 18.958 -5.371 -9.105 417 HZ1 LYS 52 HZ1 LYS 52 19.443 -8.247 -9.716 418 HZ2 LYS 52 HZ2 LYS 52 19.745 -7.477 -8.245 419 HZ3 LYS 52 HZ3 LYS 52 20.608 -7.035 -9.616 420 H ALA 53 HN ALA 53 13.371 -5.754 -5.410 421 HA ALA 53 HA ALA 53 11.682 -8.072 -5.410 422 HB1 ALA 53 HB1 ALA 53 10.606 -7.010 -3.477 423 HB2 ALA 53 HB2 ALA 53 11.488 -5.523 -3.802 424 HB3 ALA 53 HB3 ALA 53 12.363 -6.974 -3.313 425 H GLY 54 HN GLY 54 9.768 -8.278 -6.464 426 HA2 GLY 54 HA3 GLY 54 8.753 -5.951 -7.845 427 HA3 GLY 54 HA2 GLY 54 8.260 -7.630 -8.080 428 HA PRO 55 HA PRO 55 4.958 -5.175 -5.754 429 HB2 PRO 55 HB2 PRO 55 3.381 -7.186 -7.275 430 HB3 PRO 55 HB1 PRO 55 3.072 -5.469 -7.044 431 HG2 PRO 55 HG2 PRO 55 4.014 -6.425 -9.361 432 HG3 PRO 55 HG1 PRO 55 4.485 -4.835 -8.740 433 HD2 PRO 55 HD2 PRO 55 6.096 -7.362 -8.831 434 HD3 PRO 55 HD1 PRO 55 6.608 -5.671 -8.875 435 H LEU 56 HN LEU 56 5.141 -8.630 -6.438 436 HA LEU 56 HA LEU 56 3.589 -9.430 -4.147 437 HB2 LEU 56 HB2 LEU 56 4.006 -11.680 -4.712 438 HB3 LEU 56 HB1 LEU 56 3.863 -10.842 -6.234 439 HG LEU 56 HG LEU 56 6.483 -11.709 -4.974 440 HD11 LEU 56 HD11 LEU 56 6.511 -13.443 -6.685 441 HD12 LEU 56 HD12 LEU 56 4.898 -12.951 -7.200 442 HD13 LEU 56 HD13 LEU 56 5.144 -13.614 -5.584 443 HD21 LEU 56 HD21 LEU 56 6.678 -9.776 -6.554 444 HD22 LEU 56 HD22 LEU 56 5.971 -10.805 -7.816 445 HD23 LEU 56 HD23 LEU 56 7.510 -11.230 -7.093 446 H GLU 57 HN GLU 57 6.881 -8.702 -4.588 447 HA GLU 57 HA GLU 57 7.680 -10.100 -2.162 448 HB2 GLU 57 HB3 GLU 57 9.272 -8.501 -4.160 449 HB3 GLU 57 HB2 GLU 57 9.955 -9.445 -2.837 450 HG2 GLU 57 HG3 GLU 57 9.162 -11.478 -3.798 451 HG3 GLU 57 HG2 GLU 57 8.240 -10.590 -5.004 452 H MET 58 HN MET 58 7.290 -6.870 -3.460 453 HA MET 58 HA MET 58 8.369 -5.385 -1.340 454 HB2 MET 58 HB2 MET 58 6.196 -4.757 -3.316 455 HB3 MET 58 HB1 MET 58 6.723 -3.571 -2.134 456 HG2 MET 58 HG2 MET 58 8.992 -3.692 -3.066 457 HG3 MET 58 HG1 MET 58 8.446 -4.897 -4.229 458 HE1 MET 58 HE1 MET 58 9.123 -1.698 -6.393 459 HE2 MET 58 HE2 MET 58 9.514 -3.396 -6.137 460 HE3 MET 58 HE3 MET 58 9.994 -2.194 -4.944 461 H ALA 59 HN ALA 59 5.068 -6.545 -1.855 462 HA ALA 59 HA ALA 59 3.869 -5.426 0.400 463 HB1 ALA 59 HB1 ALA 59 2.699 -6.633 -1.439 464 HB2 ALA 59 HB2 ALA 59 2.153 -7.024 0.170 465 HB3 ALA 59 HB3 ALA 59 3.209 -8.162 -0.701 466 H GLN 60 HN GLN 60 5.886 -8.252 0.126 467 HA GLN 60 HA GLN 60 5.411 -9.266 2.757 468 HB2 GLN 60 HB2 GLN 60 7.824 -9.759 1.021 469 HB3 GLN 60 HB1 GLN 60 7.176 -10.806 2.276 470 HG2 GLN 60 HG2 GLN 60 5.169 -11.180 0.886 471 HG3 GLN 60 HG1 GLN 60 5.866 -10.127 -0.315 472 HE21 GLN 60 HE21 GLN 60 5.151 -12.921 -0.542 473 HE22 GLN 60 HE22 GLN 60 6.567 -13.748 -1.066 474 H LEU 61 HN LEU 61 7.774 -7.207 1.182 475 HA LEU 61 HA LEU 61 9.408 -6.992 3.449 476 HB2 LEU 61 HB2 LEU 61 9.360 -5.737 0.796 477 HB3 LEU 61 HB1 LEU 61 10.174 -4.805 2.023 478 HG LEU 61 HG LEU 61 11.666 -6.751 2.472 479 HD11 LEU 61 HD11 LEU 61 10.283 -8.033 0.130 480 HD12 LEU 61 HD12 LEU 61 10.181 -8.551 1.814 481 HD13 LEU 61 HD13 LEU 61 11.719 -8.646 0.955 482 HD21 LEU 61 HD21 LEU 61 12.336 -5.023 0.864 483 HD22 LEU 61 HD22 LEU 61 11.615 -5.987 -0.434 484 HD23 LEU 61 HD23 LEU 61 12.989 -6.608 0.469 485 H LEU 62 HN LEU 62 6.764 -4.826 2.280 486 HA LEU 62 HA LEU 62 7.137 -3.038 4.372 487 HB2 LEU 62 HB2 LEU 62 4.523 -3.819 3.054 488 HB3 LEU 62 HB1 LEU 62 4.683 -2.510 4.191 489 HG LEU 62 HG LEU 62 4.604 -1.389 2.254 490 HD11 LEU 62 HD11 LEU 62 6.531 -0.606 3.278 491 HD12 LEU 62 HD12 LEU 62 6.750 -0.579 1.525 492 HD13 LEU 62 HD13 LEU 62 7.519 -1.840 2.493 493 HD21 LEU 62 HD21 LEU 62 6.143 -3.533 0.874 494 HD22 LEU 62 HD22 LEU 62 5.570 -2.037 0.126 495 HD23 LEU 62 HD23 LEU 62 4.413 -3.209 0.765 496 H ILE 63 HN ILE 63 5.413 -6.137 4.257 497 HA ILE 63 HA ILE 63 4.271 -5.898 6.868 498 HB ILE 63 HB ILE 63 3.820 -7.583 4.751 499 HG12 ILE 63 HG12 ILE 63 2.262 -7.094 6.583 500 HG13 ILE 63 HG11 ILE 63 2.221 -8.783 6.107 501 HG21 ILE 63 HG21 ILE 63 5.272 -9.313 6.744 502 HG22 ILE 63 HG22 ILE 63 5.779 -8.955 5.094 503 HG23 ILE 63 HG23 ILE 63 4.321 -9.904 5.381 504 HD11 ILE 63 HD11 ILE 63 2.071 -8.602 8.499 505 HD12 ILE 63 HD12 ILE 63 3.536 -7.622 8.554 506 HD13 ILE 63 HD13 ILE 63 3.628 -9.317 8.076 507 H THR 64 HN THR 64 7.394 -6.853 5.766 508 HA THR 64 HA THR 64 8.158 -8.266 8.136 509 HB THR 64 HB THR 64 9.869 -7.113 5.906 510 HG1 THR 64 HG1 THR 64 8.335 -8.707 5.246 511 HG21 THR 64 HG21 THR 64 11.190 -7.606 7.939 512 HG22 THR 64 HG22 THR 64 11.583 -8.715 6.627 513 HG23 THR 64 HG23 THR 64 10.545 -9.250 7.951 514 H HIS 65 HN HIS 65 7.988 -4.952 7.292 515 HA HIS 65 HA HIS 65 9.751 -4.307 9.560 516 HB2 HIS 65 HB2 HIS 65 9.196 -2.623 7.116 517 HB3 HIS 65 HB1 HIS 65 10.060 -2.084 8.553 518 HD1 HIS 65 HD1 HIS 65 12.517 -2.960 8.853 519 HD2 HIS 65 HD2 HIS 65 10.622 -4.344 5.415 520 HE1 HIS 65 HE1 HIS 65 14.312 -3.960 7.411 521 H PHE 66 HN PHE 66 6.927 -2.998 7.853 522 HA PHE 66 HA PHE 66 6.288 -1.224 9.965 523 HB2 PHE 66 HB2 PHE 66 4.687 -2.067 7.558 524 HB3 PHE 66 HB1 PHE 66 4.301 -0.719 8.629 525 HD1 PHE 66 HD1 PHE 66 5.654 1.237 8.685 526 HD2 PHE 66 HD2 PHE 66 6.480 -1.922 6.002 527 HE1 PHE 66 HE1 PHE 66 7.142 2.704 7.420 528 HE2 PHE 66 HE2 PHE 66 7.978 -0.466 4.719 529 HZ PHE 66 HZ PHE 66 8.308 1.855 5.433 530 H GLY 67 HN GLY 67 4.759 -4.196 8.812 531 HA2 GLY 67 HA3 GLY 67 3.991 -5.606 10.802 532 HA3 GLY 67 HA2 GLY 67 3.092 -4.143 11.216 533 HA PRO 68 HA PRO 68 0.774 -6.967 8.207 534 HB2 PRO 68 HB2 PRO 68 -1.447 -7.324 9.813 535 HB3 PRO 68 HB1 PRO 68 -0.108 -8.463 9.670 536 HG2 PRO 68 HG2 PRO 68 -0.677 -6.464 11.787 537 HG3 PRO 68 HG1 PRO 68 0.050 -8.070 11.929 538 HD2 PRO 68 HD2 PRO 68 1.495 -5.763 12.030 539 HD3 PRO 68 HD1 PRO 68 2.166 -7.281 11.422 540 H GLU 69 HN GLU 69 -0.966 -4.743 10.410 541 HA GLU 69 HA GLU 69 -2.693 -3.891 8.310 542 HB2 GLU 69 HB3 GLU 69 -2.243 -2.868 11.089 543 HB3 GLU 69 HB2 GLU 69 -3.381 -2.138 9.973 544 HG2 GLU 69 HG3 GLU 69 -4.596 -3.536 11.355 545 HG3 GLU 69 HG2 GLU 69 -4.492 -4.333 9.796 546 H GLU 70 HN GLU 70 0.060 -2.663 9.977 547 HA GLU 70 HA GLU 70 0.107 -0.032 9.048 548 HB2 GLU 70 HB3 GLU 70 1.500 -1.203 10.886 549 HB3 GLU 70 HB2 GLU 70 2.631 -1.548 9.589 550 HG2 GLU 70 HG3 GLU 70 3.379 0.422 10.655 551 HG3 GLU 70 HG2 GLU 70 2.656 0.936 9.129 552 H ALA 71 HN ALA 71 1.593 -2.968 7.671 553 HA ALA 71 HA ALA 71 3.037 -1.797 5.561 554 HB1 ALA 71 HB1 ALA 71 3.299 -4.120 6.228 555 HB2 ALA 71 HB2 ALA 71 2.909 -4.003 4.509 556 HB3 ALA 71 HB3 ALA 71 1.669 -4.480 5.669 557 H TRP 72 HN TRP 72 -0.219 -3.091 5.688 558 HA TRP 72 HA TRP 72 -0.916 -2.607 3.041 559 HB2 TRP 72 HB2 TRP 72 -2.259 -4.120 4.304 560 HB3 TRP 72 HB1 TRP 72 -2.531 -2.934 5.570 561 HD1 TRP 72 HD1 TRP 72 -5.035 -2.473 5.544 562 HE1 TRP 72 HE1 TRP 72 -6.767 -1.830 3.748 563 HE3 TRP 72 HE3 TRP 72 -2.125 -2.864 1.395 564 HZ2 TRP 72 HZ2 TRP 72 -6.887 -1.524 1.008 565 HZ3 TRP 72 HZ3 TRP 72 -3.133 -2.377 -0.807 566 HH2 TRP 72 HH2 TRP 72 -5.480 -1.715 -0.980 567 H ARG 73 HN ARG 73 -1.392 -0.706 5.937 568 HA ARG 73 HA ARG 73 -2.725 1.464 4.860 569 HB2 ARG 73 HB2 ARG 73 -2.532 1.128 7.250 570 HB3 ARG 73 HB1 ARG 73 -0.791 1.311 7.177 571 HG2 ARG 73 HG2 ARG 73 -1.129 3.686 6.505 572 HG3 ARG 73 HG1 ARG 73 -2.863 3.460 6.767 573 HD2 ARG 73 HD2 ARG 73 -2.454 2.855 9.084 574 HD3 ARG 73 HD1 ARG 73 -0.719 2.994 8.828 575 HE ARG 73 HE ARG 73 -2.443 5.332 8.437 576 HH11 ARG 73 HH11 ARG 73 0.228 3.743 10.243 577 HH12 ARG 73 HH12 ARG 73 0.623 5.149 11.102 578 HH21 ARG 73 HH21 ARG 73 -1.858 7.236 9.678 579 HH22 ARG 73 HH22 ARG 73 -0.598 7.162 10.808 580 H LEU 74 HN LEU 74 0.742 0.945 5.331 581 HA LEU 74 HA LEU 74 1.717 3.348 4.317 582 HB2 LEU 74 HB2 LEU 74 2.814 0.695 4.907 583 HB3 LEU 74 HB1 LEU 74 3.695 1.569 3.678 584 HG LEU 74 HG LEU 74 4.625 1.803 5.982 585 HD11 LEU 74 HD11 LEU 74 4.956 4.224 5.882 586 HD12 LEU 74 HD12 LEU 74 3.681 4.343 4.661 587 HD13 LEU 74 HD13 LEU 74 5.156 3.433 4.327 588 HD21 LEU 74 HD21 LEU 74 3.506 3.253 7.593 589 HD22 LEU 74 HD22 LEU 74 2.496 1.852 7.220 590 HD23 LEU 74 HD23 LEU 74 2.126 3.420 6.510 591 H ALA 75 HN ALA 75 1.112 0.298 2.616 592 HA ALA 75 HA ALA 75 2.095 1.180 0.111 593 HB1 ALA 75 HB1 ALA 75 1.710 -1.175 0.579 594 HB2 ALA 75 HB2 ALA 75 0.847 -0.622 -0.862 595 HB3 ALA 75 HB3 ALA 75 -0.034 -0.866 0.645 596 H LEU 76 HN LEU 76 -1.243 1.023 1.350 597 HA LEU 76 HA LEU 76 -2.322 2.063 -1.012 598 HB2 LEU 76 HB2 LEU 76 -4.447 2.224 0.117 599 HB3 LEU 76 HB1 LEU 76 -3.652 0.735 0.560 600 HG LEU 76 HG LEU 76 -2.952 2.048 2.699 601 HD11 LEU 76 HD11 LEU 76 -3.725 4.244 2.032 602 HD12 LEU 76 HD12 LEU 76 -4.623 3.684 3.443 603 HD13 LEU 76 HD13 LEU 76 -5.364 3.630 1.840 604 HD21 LEU 76 HD21 LEU 76 -4.994 1.355 3.802 605 HD22 LEU 76 HD22 LEU 76 -4.360 0.133 2.702 606 HD23 LEU 76 HD23 LEU 76 -5.747 1.115 2.228 607 H SER 77 HN SER 77 -1.301 3.692 1.945 608 HA SER 77 HA SER 77 -2.437 6.144 1.094 609 HB2 SER 77 HB2 SER 77 -2.101 5.506 3.495 610 HB3 SER 77 HB1 SER 77 -0.373 5.746 3.271 611 HG SER 77 HG SER 77 -2.060 7.787 2.434 612 H THR 78 HN THR 78 0.428 4.520 0.281 613 HA THR 78 HA THR 78 1.695 6.994 -0.476 614 HB THR 78 HB THR 78 2.621 4.141 -0.944 615 HG1 THR 78 HG1 THR 78 2.710 4.436 1.183 616 HG21 THR 78 HG21 THR 78 4.823 5.166 -1.303 617 HG22 THR 78 HG22 THR 78 4.118 6.768 -1.081 618 HG23 THR 78 HG23 THR 78 3.657 5.789 -2.472 619 H PHE 79 HN PHE 79 -0.367 4.592 -1.822 620 HA PHE 79 HA PHE 79 0.186 4.923 -4.546 621 HB2 PHE 79 HB2 PHE 79 -2.380 4.185 -3.134 622 HB3 PHE 79 HB1 PHE 79 -2.235 4.147 -4.902 623 HD1 PHE 79 HD2 PHE 79 0.735 3.018 -4.593 624 HD2 PHE 79 HD1 PHE 79 -3.071 1.962 -3.006 625 HE1 PHE 79 HE2 PHE 79 1.495 0.734 -4.311 626 HE2 PHE 79 HE1 PHE 79 -2.305 -0.352 -2.714 627 HZ PHE 79 HZ PHE 79 -0.017 -0.978 -3.367 628 H GLU 80 HN GLU 80 -1.943 6.688 -2.374 629 HA GLU 80 HA GLU 80 -3.025 8.422 -4.351 630 HB2 GLU 80 HB3 GLU 80 -3.822 9.759 -2.449 631 HB3 GLU 80 HB2 GLU 80 -4.114 8.044 -2.168 632 HG2 GLU 80 HG3 GLU 80 -2.078 7.942 -0.853 633 HG3 GLU 80 HG2 GLU 80 -1.875 9.681 -1.070 634 H ARG 81 HN ARG 81 -0.099 8.444 -2.470 635 HA ARG 81 HA ARG 81 0.528 11.222 -2.696 636 HB2 ARG 81 HB2 ARG 81 2.411 8.938 -2.110 637 HB3 ARG 81 HB1 ARG 81 2.712 10.642 -1.810 638 HG2 ARG 81 HG2 ARG 81 0.586 8.975 -0.483 639 HG3 ARG 81 HG1 ARG 81 2.152 9.418 0.192 640 HD2 ARG 81 HD2 ARG 81 1.560 11.696 0.305 641 HD3 ARG 81 HD1 ARG 81 0.123 11.434 -0.686 642 HE ARG 81 HE ARG 81 -0.785 10.116 1.155 643 HH11 ARG 81 HH11 ARG 81 1.948 12.167 2.085 644 HH12 ARG 81 HH12 ARG 81 1.304 12.627 3.578 645 HH21 ARG 81 HH21 ARG 81 -1.659 10.699 3.299 646 HH22 ARG 81 HH22 ARG 81 -0.780 11.737 4.311 647 H ILE 82 HN ILE 82 1.225 8.352 -4.546 648 HA ILE 82 HA ILE 82 3.033 9.820 -6.322 649 HB ILE 82 HB ILE 82 3.595 7.642 -7.303 650 HG12 ILE 82 HG12 ILE 82 1.672 6.432 -5.290 651 HG13 ILE 82 HG11 ILE 82 1.314 6.609 -7.006 652 HG21 ILE 82 HG21 ILE 82 3.625 7.648 -4.285 653 HG22 ILE 82 HG22 ILE 82 4.829 8.372 -5.348 654 HG23 ILE 82 HG23 ILE 82 4.635 6.619 -5.306 655 HD11 ILE 82 HD11 ILE 82 3.508 4.945 -5.793 656 HD12 ILE 82 HD12 ILE 82 3.179 5.105 -7.517 657 HD13 ILE 82 HD13 ILE 82 1.990 4.344 -6.459 658 H ASN 83 HN ASN 83 0.009 9.747 -6.010 659 HA ASN 83 HA ASN 83 -1.853 9.946 -7.146 660 HB2 ASN 83 HB3 ASN 83 -0.680 11.807 -8.234 661 HB3 ASN 83 HB2 ASN 83 -0.107 10.714 -9.493 662 HD21 ASN 83 HD21 ASN 83 -2.927 12.239 -8.109 663 HD22 ASN 83 HD22 ASN 83 -3.938 12.086 -9.494 664 H ARG 84 HN ARG 84 -2.080 7.816 -6.786 665 HA ARG 84 HA ARG 84 -2.886 6.430 -9.211 666 HB2 ARG 84 HB2 ARG 84 -0.643 5.702 -7.712 667 HB3 ARG 84 HB1 ARG 84 -1.921 4.689 -7.068 668 HG2 ARG 84 HG2 ARG 84 -1.081 4.866 -9.942 669 HG3 ARG 84 HG1 ARG 84 -0.691 3.569 -8.824 670 HD2 ARG 84 HD2 ARG 84 -3.145 3.199 -8.560 671 HD3 ARG 84 HD1 ARG 84 -3.411 4.337 -9.860 672 HE ARG 84 HE ARG 84 -1.600 2.079 -10.357 673 HH11 ARG 84 HH11 ARG 84 -4.647 3.721 -11.289 674 HH12 ARG 84 HH12 ARG 84 -4.978 2.600 -12.527 675 HH21 ARG 84 HH21 ARG 84 -2.065 0.629 -12.124 676 HH22 ARG 84 HH22 ARG 84 -3.492 0.810 -13.021 677 H LYS 85 HN LYS 85 -4.583 7.814 -8.107 678 HA LYS 85 HA LYS 85 -5.428 7.215 -5.471 679 HB2 LYS 85 HB2 LYS 85 -5.475 9.447 -6.107 680 HB3 LYS 85 HB1 LYS 85 -6.277 9.126 -7.636 681 HG2 LYS 85 HG2 LYS 85 -8.368 8.692 -6.387 682 HG3 LYS 85 HG1 LYS 85 -7.512 9.020 -4.878 683 HD2 LYS 85 HD2 LYS 85 -7.078 11.290 -5.519 684 HD3 LYS 85 HD1 LYS 85 -7.679 10.999 -7.145 685 HE2 LYS 85 HE2 LYS 85 -9.270 12.262 -5.706 686 HE3 LYS 85 HE1 LYS 85 -9.931 10.759 -6.335 687 HZ1 LYS 85 HZ1 LYS 85 -10.360 11.283 -3.925 688 HZ2 LYS 85 HZ2 LYS 85 -8.740 10.869 -3.613 689 HZ3 LYS 85 HZ3 LYS 85 -9.825 9.759 -4.335 690 H ASP 86 HN ASP 86 -6.045 6.026 -8.560 691 HA ASP 86 HA ASP 86 -8.654 5.214 -8.529 692 HB2 ASP 86 HB2 ASP 86 -6.502 3.323 -9.487 693 HB3 ASP 86 HB1 ASP 86 -8.119 3.521 -10.120 694 H LEU 87 HN LEU 87 -5.718 3.547 -7.624 695 HA LEU 87 HA LEU 87 -7.084 1.278 -6.509 696 HB2 LEU 87 HB2 LEU 87 -4.220 1.948 -6.962 697 HB3 LEU 87 HB1 LEU 87 -4.629 0.681 -5.830 698 HG LEU 87 HG LEU 87 -5.747 -0.579 -7.620 699 HD11 LEU 87 HD11 LEU 87 -4.810 1.625 -9.418 700 HD12 LEU 87 HD12 LEU 87 -6.498 1.171 -9.092 701 HD13 LEU 87 HD13 LEU 87 -5.405 0.056 -9.933 702 HD21 LEU 87 HD21 LEU 87 -3.820 -1.203 -8.834 703 HD22 LEU 87 HD22 LEU 87 -3.392 -0.914 -7.143 704 HD23 LEU 87 HD23 LEU 87 -2.989 0.282 -8.379 705 H TRP 88 HN TRP 88 -5.631 4.159 -5.352 706 HA TRP 88 HA TRP 88 -5.361 3.399 -2.676 707 HB2 TRP 88 HB2 TRP 88 -4.359 5.446 -3.384 708 HB3 TRP 88 HB1 TRP 88 -5.887 6.101 -3.908 709 HD1 TRP 88 HD1 TRP 88 -4.377 4.887 -0.535 710 HE1 TRP 88 HE1 TRP 88 -5.399 6.285 1.369 711 HE3 TRP 88 HE3 TRP 88 -7.537 7.791 -3.267 712 HZ2 TRP 88 HZ2 TRP 88 -7.285 8.338 1.670 713 HZ3 TRP 88 HZ3 TRP 88 -8.925 9.452 -2.096 714 HH2 TRP 88 HH2 TRP 88 -8.799 9.721 0.323 715 H GLU 89 HN GLU 89 -8.145 4.887 -4.365 716 HA GLU 89 HA GLU 89 -9.754 4.784 -2.058 717 HB2 GLU 89 HB3 GLU 89 -10.456 5.166 -4.940 718 HB3 GLU 89 HB2 GLU 89 -11.665 5.150 -3.659 719 HG2 GLU 89 HG3 GLU 89 -10.408 6.962 -2.534 720 HG3 GLU 89 HG2 GLU 89 -9.348 7.018 -3.939 721 H ARG 90 HN ARG 90 -8.951 2.470 -4.371 722 HA ARG 90 HA ARG 90 -11.129 0.680 -3.842 723 HB2 ARG 90 HB2 ARG 90 -8.444 0.289 -5.122 724 HB3 ARG 90 HB1 ARG 90 -9.606 -1.006 -4.931 725 HG2 ARG 90 HG2 ARG 90 -11.209 0.269 -6.314 726 HG3 ARG 90 HG1 ARG 90 -10.000 1.535 -6.514 727 HD2 ARG 90 HD2 ARG 90 -10.073 0.014 -8.446 728 HD3 ARG 90 HD1 ARG 90 -8.512 -0.024 -7.628 729 HE ARG 90 HE ARG 90 -10.229 -1.998 -6.594 730 HH11 ARG 90 HH11 ARG 90 -8.289 -1.375 -9.524 731 HH12 ARG 90 HH12 ARG 90 -7.956 -3.026 -9.780 732 HH21 ARG 90 HH21 ARG 90 -9.720 -4.254 -6.997 733 HH22 ARG 90 HH22 ARG 90 -8.795 -4.695 -8.344 734 H GLY 91 HN GLY 91 -8.440 1.616 -2.159 735 HA2 GLY 91 HA3 GLY 91 -8.461 -0.827 -0.523 736 HA3 GLY 91 HA2 GLY 91 -7.093 0.276 -0.645 737 H GLN 92 HN GLN 92 -7.390 2.442 0.155 738 HA GLN 92 HA GLN 92 -7.485 3.729 1.980 739 HB2 GLN 92 HB2 GLN 92 -10.461 3.194 1.752 740 HB3 GLN 92 HB1 GLN 92 -9.722 4.546 2.604 741 HG2 GLN 92 HG2 GLN 92 -8.723 5.287 0.468 742 HG3 GLN 92 HG1 GLN 92 -9.573 3.964 -0.323 743 HE21 GLN 92 HE21 GLN 92 -11.834 4.109 -0.580 744 HE22 GLN 92 HE22 GLN 92 -12.653 5.597 -0.406 745 H ARG 93 HN ARG 93 -10.218 1.892 3.140 746 HA ARG 93 HA ARG 93 -8.800 0.058 4.704 747 HB2 ARG 93 HB2 ARG 93 -9.397 0.913 6.881 748 HB3 ARG 93 HB1 ARG 93 -8.322 2.046 6.076 749 HG2 ARG 93 HG2 ARG 93 -10.376 3.362 5.471 750 HG3 ARG 93 HG1 ARG 93 -11.286 2.289 6.539 751 HD2 ARG 93 HD2 ARG 93 -8.973 4.028 7.219 752 HD3 ARG 93 HD1 ARG 93 -10.645 4.246 7.759 753 HE ARG 93 HE ARG 93 -10.087 1.823 8.709 754 HH11 ARG 93 HH11 ARG 93 -8.394 4.887 9.009 755 HH12 ARG 93 HH12 ARG 93 -7.457 4.440 10.358 756 HH21 ARG 93 HH21 ARG 93 -8.803 1.174 10.603 757 HH22 ARG 93 HH22 ARG 93 -7.715 2.275 11.302 758 H GLU 94 HN GLU 94 -10.926 0.387 2.766 759 HA GLU 94 HA GLU 94 -13.317 0.140 4.363 760 HB2 GLU 94 HB3 GLU 94 -14.522 0.404 2.193 761 HB3 GLU 94 HB2 GLU 94 -13.601 1.792 2.748 762 HG2 GLU 94 HG3 GLU 94 -11.840 1.277 1.170 763 HG3 GLU 94 HG2 GLU 94 -12.707 -0.171 0.653 764 H ASP 95 HN ASP 95 -14.672 -1.440 4.302 765 HA ASP 95 HA ASP 95 -13.938 -3.903 2.881 766 HB2 ASP 95 HB2 ASP 95 -15.326 -3.707 5.581 767 HB3 ASP 95 HB1 ASP 95 -14.737 -5.162 4.793 768 H LEU 96 HN LEU 96 -16.278 -5.230 3.524 769 HA LEU 96 HA LEU 96 -18.212 -3.664 2.016 770 HB2 LEU 96 HB2 LEU 96 -19.354 -5.650 1.524 771 HB3 LEU 96 HB1 LEU 96 -17.670 -6.106 1.450 772 HG LEU 96 HG LEU 96 -19.498 -6.635 3.774 773 HD11 LEU 96 HD11 LEU 96 -19.473 -8.984 3.005 774 HD12 LEU 96 HD12 LEU 96 -18.563 -8.486 1.578 775 HD13 LEU 96 HD13 LEU 96 -20.206 -7.894 1.830 776 HD21 LEU 96 HD21 LEU 96 -17.745 -8.234 4.515 777 HD22 LEU 96 HD22 LEU 96 -17.163 -6.573 4.477 778 HD23 LEU 96 HD23 LEU 96 -16.716 -7.694 3.189 779 H VAL 97 HN VAL 97 -20.493 -3.856 2.763 780 HA VAL 97 HA VAL 97 -20.635 -3.282 5.616 781 HB VAL 97 HB VAL 97 -22.708 -3.044 3.453 782 HG11 VAL 97 HG11 VAL 97 -22.660 -1.898 6.248 783 HG12 VAL 97 HG12 VAL 97 -23.705 -3.192 5.658 784 HG13 VAL 97 HG13 VAL 97 -23.893 -1.552 5.034 785 HG21 VAL 97 HG21 VAL 97 -20.927 -0.898 4.594 786 HG22 VAL 97 HG22 VAL 97 -22.256 -0.634 3.459 787 HG23 VAL 97 HG23 VAL 97 -20.850 -1.587 2.971 788 H ARG 98 HN ARG 98 -22.486 -5.042 3.133 789 HA ARG 98 HA ARG 98 -22.696 -7.407 4.681 790 HB2 ARG 98 HB2 ARG 98 -24.383 -6.005 5.834 791 HB3 ARG 98 HB1 ARG 98 -25.170 -5.702 4.299 792 HG2 ARG 98 HG2 ARG 98 -25.743 -8.053 4.097 793 HG3 ARG 98 HG1 ARG 98 -24.902 -8.402 5.607 794 HD2 ARG 98 HD2 ARG 98 -26.448 -6.856 6.776 795 HD3 ARG 98 HD1 ARG 98 -27.301 -6.621 5.251 796 HE ARG 98 HE ARG 98 -27.219 -9.329 5.676 797 HH11 ARG 98 HH11 ARG 98 -28.688 -6.510 7.254 798 HH12 ARG 98 HH12 ARG 98 -29.929 -7.415 7.992 799 HH21 ARG 98 HH21 ARG 98 -28.911 -10.560 6.703 800 HH22 ARG 98 HH22 ARG 98 -30.057 -9.771 7.676 801 H ASP 99 HN ASP 99 -22.858 -9.018 3.241 802 HA ASP 99 HA ASP 99 -24.371 -8.714 0.815 803 HB2 ASP 99 HB2 ASP 99 -22.080 -7.883 0.219 804 HB3 ASP 99 HB1 ASP 99 -21.425 -9.417 0.763 805 H THR 100 HN THR 100 -24.914 -10.804 0.049 806 HA THR 100 HA THR 100 -23.713 -13.094 1.335 807 HB THR 100 HB THR 100 -26.737 -12.623 1.497 808 HG1 THR 100 HG1 THR 100 -24.699 -11.784 3.018 809 HG21 THR 100 HG21 THR 100 -24.984 -14.724 2.815 810 HG22 THR 100 HG22 THR 100 -26.075 -15.017 1.460 811 HG23 THR 100 HG23 THR 100 -26.727 -14.551 3.032 812 H VAL 101 HN VAL 101 -23.904 -11.796 -1.362 813 HA VAL 101 HA VAL 101 -25.258 -14.006 -2.715 814 HB VAL 101 HB VAL 101 -25.381 -12.670 -4.762 815 HG11 VAL 101 HG11 VAL 101 -27.275 -12.638 -3.324 816 HG12 VAL 101 HG12 VAL 101 -27.058 -11.023 -4.015 817 HG13 VAL 101 HG13 VAL 101 -26.574 -11.349 -2.353 818 HG21 VAL 101 HG21 VAL 101 -24.909 -10.270 -4.733 819 HG22 VAL 101 HG22 VAL 101 -23.459 -11.235 -4.466 820 HG23 VAL 101 HG23 VAL 101 -24.238 -10.424 -3.107 821 H GLU 102 HN GLU 102 -22.253 -12.249 -2.443 822 HA GLU 102 HA GLU 102 -21.071 -14.035 -4.400 823 HB2 GLU 102 HB3 GLU 102 -19.850 -11.774 -2.806 824 HB3 GLU 102 HB2 GLU 102 -19.002 -12.722 -4.018 825 HG2 GLU 102 HG3 GLU 102 -20.612 -11.901 -5.717 826 HG3 GLU 102 HG2 GLU 102 -21.336 -10.880 -4.473 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 0.768 -14.652 25.097 2 H2 GLY 1 HT2 GLY 1 0.126 -13.769 23.792 3 H3 GLY 1 HT3 GLY 1 -0.893 -14.729 24.723 4 HA2 GLY 1 HA2 GLY 1 -0.525 -13.331 26.620 5 HA3 GLY 1 HA3 GLY 1 0.534 -12.325 25.630 6 H HIS 2 HN HIS 2 -1.158 -10.739 26.405 7 HA HIS 2 HA HIS 2 -3.686 -10.870 25.083 8 HB2 HIS 2 HB2 HIS 2 -2.311 -8.539 26.451 9 HB3 HIS 2 HB1 HIS 2 -3.970 -8.534 25.870 10 HD1 HIS 2 HD1 HIS 2 -2.074 -9.129 28.860 11 HD2 HIS 2 HD2 HIS 2 -5.554 -10.644 27.200 12 HE1 HIS 2 HE1 HIS 2 -3.322 -10.243 30.748 13 H MET 3 HN MET 3 -4.120 -10.316 23.095 14 HA MET 3 HA MET 3 -2.011 -9.227 21.460 15 HB2 MET 3 HB2 MET 3 -4.721 -10.369 20.784 16 HB3 MET 3 HB1 MET 3 -3.655 -9.655 19.591 17 HG2 MET 3 HG2 MET 3 -2.972 -12.016 21.321 18 HG3 MET 3 HG1 MET 3 -3.545 -12.107 19.656 19 HE1 MET 3 HE1 MET 3 -0.856 -13.474 20.657 20 HE2 MET 3 HE2 MET 3 0.236 -13.075 19.330 21 HE3 MET 3 HE3 MET 3 -1.427 -13.560 18.989 22 H LEU 4 HN LEU 4 -1.812 -7.117 21.435 23 HA LEU 4 HA LEU 4 -4.207 -5.455 21.554 24 HB2 LEU 4 HB2 LEU 4 -1.268 -4.757 21.693 25 HB3 LEU 4 HB1 LEU 4 -2.505 -3.537 21.529 26 HG LEU 4 HG LEU 4 -3.461 -4.336 23.719 27 HD11 LEU 4 HD11 LEU 4 -2.486 -6.556 23.796 28 HD12 LEU 4 HD12 LEU 4 -2.058 -5.614 25.218 29 HD13 LEU 4 HD13 LEU 4 -0.875 -5.853 23.929 30 HD21 LEU 4 HD21 LEU 4 -1.770 -3.188 25.071 31 HD22 LEU 4 HD22 LEU 4 -2.125 -2.331 23.574 32 HD23 LEU 4 HD23 LEU 4 -0.643 -3.278 23.720 33 H ARG 5 HN ARG 5 -2.662 -7.075 19.310 34 HA ARG 5 HA ARG 5 -3.400 -5.211 17.207 35 HB2 ARG 5 HB2 ARG 5 -0.947 -5.045 17.590 36 HB3 ARG 5 HB1 ARG 5 -0.810 -6.777 17.343 37 HG2 ARG 5 HG2 ARG 5 -0.104 -5.600 15.368 38 HG3 ARG 5 HG1 ARG 5 -1.595 -6.484 15.025 39 HD2 ARG 5 HD2 ARG 5 -1.712 -4.289 14.043 40 HD3 ARG 5 HD1 ARG 5 -2.858 -4.395 15.374 41 HE ARG 5 HE ARG 5 -0.237 -3.267 15.936 42 HH11 ARG 5 HH11 ARG 5 -3.706 -2.680 15.520 43 HH12 ARG 5 HH12 ARG 5 -3.637 -1.050 15.998 44 HH21 ARG 5 HH21 ARG 5 -0.146 -1.058 16.634 45 HH22 ARG 5 HH22 ARG 5 -1.551 -0.107 16.689 46 H THR 6 HN THR 6 -4.575 -6.271 15.683 47 HA THR 6 HA THR 6 -5.049 -9.070 15.944 48 HB THR 6 HB THR 6 -6.845 -7.525 15.131 49 HG1 THR 6 HG1 THR 6 -7.658 -9.076 13.904 50 HG21 THR 6 HG21 THR 6 -5.149 -7.323 12.629 51 HG22 THR 6 HG22 THR 6 -5.419 -6.021 13.778 52 HG23 THR 6 HG23 THR 6 -6.766 -6.652 12.831 53 H ALA 7 HN ALA 7 -4.714 -10.578 14.115 54 HA ALA 7 HA ALA 7 -2.020 -10.425 13.167 55 HB1 ALA 7 HB1 ALA 7 -3.052 -12.572 13.789 56 HB2 ALA 7 HB2 ALA 7 -2.469 -12.583 12.125 57 HB3 ALA 7 HB3 ALA 7 -4.192 -12.396 12.454 58 H GLY 8 HN GLY 8 -5.174 -9.726 11.957 59 HA2 GLY 8 HA3 GLY 8 -5.844 -8.470 10.159 60 HA3 GLY 8 HA2 GLY 8 -4.154 -8.145 9.821 61 H ARG 9 HN ARG 9 -2.970 -9.853 8.801 62 HA ARG 9 HA ARG 9 -2.467 -11.315 7.139 63 HB2 ARG 9 HB2 ARG 9 -4.116 -12.782 8.375 64 HB3 ARG 9 HB1 ARG 9 -5.326 -12.264 7.217 65 HG2 ARG 9 HG2 ARG 9 -3.884 -13.186 5.404 66 HG3 ARG 9 HG1 ARG 9 -2.823 -13.831 6.659 67 HD2 ARG 9 HD2 ARG 9 -5.691 -14.556 6.091 68 HD3 ARG 9 HD1 ARG 9 -4.269 -15.593 6.058 69 HE ARG 9 HE ARG 9 -5.030 -14.378 8.596 70 HH11 ARG 9 HH11 ARG 9 -4.830 -17.304 6.626 71 HH12 ARG 9 HH12 ARG 9 -5.217 -18.353 7.918 72 HH21 ARG 9 HH21 ARG 9 -5.582 -15.776 10.316 73 HH22 ARG 9 HH22 ARG 9 -5.650 -17.455 10.089 74 H ASP 10 HN ASP 10 -5.538 -9.732 6.738 75 HA ASP 10 HA ASP 10 -5.888 -9.787 3.976 76 HB2 ASP 10 HB2 ASP 10 -7.587 -9.056 5.624 77 HB3 ASP 10 HB1 ASP 10 -6.656 -7.595 5.912 78 H GLY 11 HN GLY 11 -4.128 -7.489 6.039 79 HA2 GLY 11 HA3 GLY 11 -3.420 -5.688 4.065 80 HA3 GLY 11 HA2 GLY 11 -2.591 -5.924 5.596 81 H LEU 12 HN LEU 12 -2.346 -8.859 4.246 82 HA LEU 12 HA LEU 12 0.181 -8.183 2.904 83 HB2 LEU 12 HB2 LEU 12 0.384 -9.769 4.772 84 HB3 LEU 12 HB1 LEU 12 -0.794 -10.812 4.022 85 HG LEU 12 HG LEU 12 0.755 -11.312 2.189 86 HD11 LEU 12 HD11 LEU 12 3.103 -10.591 2.290 87 HD12 LEU 12 HD12 LEU 12 2.722 -9.562 3.665 88 HD13 LEU 12 HD13 LEU 12 2.000 -9.233 2.090 89 HD21 LEU 12 HD21 LEU 12 0.771 -12.733 4.169 90 HD22 LEU 12 HD22 LEU 12 1.986 -11.695 4.918 91 HD23 LEU 12 HD23 LEU 12 2.386 -12.616 3.469 92 H CYS 13 HN CYS 13 -2.680 -10.257 2.559 93 HA CYS 13 HA CYS 13 -1.975 -11.083 -0.056 94 HB2 CYS 13 HB2 CYS 13 -4.300 -12.049 -0.064 95 HB3 CYS 13 HB1 CYS 13 -3.269 -12.545 1.277 96 HG CYS 13 HG CYS 13 -5.892 -12.238 2.184 97 H ARG 14 HN ARG 14 -4.165 -8.599 1.203 98 HA ARG 14 HA ARG 14 -5.191 -7.862 -1.348 99 HB2 ARG 14 HB2 ARG 14 -6.225 -7.294 0.927 100 HB3 ARG 14 HB1 ARG 14 -4.977 -6.068 1.084 101 HG2 ARG 14 HG2 ARG 14 -5.785 -5.104 -1.080 102 HG3 ARG 14 HG1 ARG 14 -7.143 -6.216 -0.980 103 HD2 ARG 14 HD2 ARG 14 -6.436 -4.054 0.997 104 HD3 ARG 14 HD1 ARG 14 -7.741 -4.001 -0.174 105 HE ARG 14 HE ARG 14 -7.639 -5.921 2.064 106 HH11 ARG 14 HH11 ARG 14 -9.517 -3.687 0.011 107 HH12 ARG 14 HH12 ARG 14 -10.935 -3.874 0.934 108 HH21 ARG 14 HH21 ARG 14 -9.525 -6.166 3.235 109 HH22 ARG 14 HH22 ARG 14 -10.957 -5.292 2.830 110 H LEU 15 HN LEU 15 -2.412 -7.072 0.514 111 HA LEU 15 HA LEU 15 -1.615 -4.676 -0.626 112 HB2 LEU 15 HB2 LEU 15 -0.798 -5.567 1.472 113 HB3 LEU 15 HB1 LEU 15 -0.053 -6.905 0.637 114 HG LEU 15 HG LEU 15 1.612 -5.434 -0.335 115 HD11 LEU 15 HD11 LEU 15 0.190 -3.474 -0.633 116 HD12 LEU 15 HD12 LEU 15 1.670 -3.091 0.247 117 HD13 LEU 15 HD13 LEU 15 0.145 -3.255 1.116 118 HD21 LEU 15 HD21 LEU 15 1.197 -4.936 2.600 119 HD22 LEU 15 HD22 LEU 15 2.699 -4.684 1.716 120 HD23 LEU 15 HD23 LEU 15 2.039 -6.312 1.887 121 H SER 16 HN SER 16 -0.498 -7.996 -1.356 122 HA SER 16 HA SER 16 1.143 -7.263 -3.509 123 HB2 SER 16 HB2 SER 16 1.293 -9.461 -2.368 124 HB3 SER 16 HB1 SER 16 -0.269 -9.915 -3.050 125 HG SER 16 HG SER 16 0.963 -10.705 -4.545 126 H THR 17 HN THR 17 -2.255 -8.125 -3.337 127 HA THR 17 HA THR 17 -2.864 -8.333 -6.039 128 HB THR 17 HB THR 17 -4.622 -7.344 -3.767 129 HG1 THR 17 HG1 THR 17 -3.977 -9.414 -3.249 130 HG21 THR 17 HG21 THR 17 -5.609 -6.841 -5.967 131 HG22 THR 17 HG22 THR 17 -6.512 -8.119 -5.152 132 HG23 THR 17 HG23 THR 17 -5.389 -8.522 -6.452 133 H TYR 18 HN TYR 18 -2.727 -5.443 -3.973 134 HA TYR 18 HA TYR 18 -3.607 -3.752 -6.132 135 HB2 TYR 18 HB2 TYR 18 -2.840 -3.195 -3.294 136 HB3 TYR 18 HB1 TYR 18 -3.062 -1.883 -4.447 137 HD1 TYR 18 HD1 TYR 18 -4.838 -4.976 -3.386 138 HD2 TYR 18 HD2 TYR 18 -5.141 -0.898 -4.475 139 HE1 TYR 18 HE1 TYR 18 -7.244 -5.061 -2.983 140 HE2 TYR 18 HE2 TYR 18 -7.544 -0.962 -4.064 141 HH TYR 18 HH TYR 18 -9.347 -2.638 -4.007 142 H LEU 19 HN LEU 19 -0.554 -4.573 -4.652 143 HA LEU 19 HA LEU 19 0.857 -2.516 -5.975 144 HB2 LEU 19 HB2 LEU 19 1.786 -5.088 -4.713 145 HB3 LEU 19 HB1 LEU 19 2.895 -3.939 -5.434 146 HG LEU 19 HG LEU 19 1.059 -3.261 -3.096 147 HD11 LEU 19 HD11 LEU 19 3.987 -3.940 -3.132 148 HD12 LEU 19 HD12 LEU 19 2.680 -4.914 -2.435 149 HD13 LEU 19 HD13 LEU 19 3.062 -3.341 -1.752 150 HD21 LEU 19 HD21 LEU 19 3.380 -1.779 -4.331 151 HD22 LEU 19 HD22 LEU 19 2.441 -1.270 -2.929 152 HD23 LEU 19 HD23 LEU 19 1.684 -1.338 -4.507 153 H GLU 20 HN GLU 20 -0.329 -5.537 -7.025 154 HA GLU 20 HA GLU 20 1.157 -5.868 -9.401 155 HB2 GLU 20 HB3 GLU 20 -1.569 -6.718 -8.510 156 HB3 GLU 20 HB2 GLU 20 -1.081 -6.955 -10.181 157 HG2 GLU 20 HG3 GLU 20 0.418 -8.016 -7.803 158 HG3 GLU 20 HG2 GLU 20 -0.766 -8.937 -8.732 159 H GLU 21 HN GLU 21 -1.182 -3.539 -8.499 160 HA GLU 21 HA GLU 21 -1.823 -2.895 -11.263 161 HB2 GLU 21 HB3 GLU 21 -2.858 -1.705 -8.688 162 HB3 GLU 21 HB2 GLU 21 -3.400 -1.259 -10.298 163 HG2 GLU 21 HG3 GLU 21 -3.726 -3.929 -8.954 164 HG3 GLU 21 HG2 GLU 21 -4.989 -2.746 -9.282 165 H LEU 22 HN LEU 22 0.769 -2.424 -9.614 166 HA LEU 22 HA LEU 22 1.049 0.365 -10.423 167 HB2 LEU 22 HB2 LEU 22 2.658 -1.170 -8.369 168 HB3 LEU 22 HB1 LEU 22 3.028 0.440 -8.909 169 HG LEU 22 HG LEU 22 0.712 -0.461 -7.230 170 HD11 LEU 22 HD11 LEU 22 1.667 1.209 -5.684 171 HD12 LEU 22 HD12 LEU 22 3.007 1.434 -6.804 172 HD13 LEU 22 HD13 LEU 22 2.755 -0.134 -6.035 173 HD21 LEU 22 HD21 LEU 22 -0.149 1.174 -8.840 174 HD22 LEU 22 HD22 LEU 22 1.161 2.280 -8.424 175 HD23 LEU 22 HD23 LEU 22 -0.053 1.864 -7.223 176 H GLU 23 HN GLU 23 2.346 0.792 -12.005 177 HA GLU 23 HA GLU 23 3.748 -1.212 -13.486 178 HB2 GLU 23 HB3 GLU 23 3.990 1.800 -13.615 179 HB3 GLU 23 HB2 GLU 23 4.527 0.668 -14.837 180 HG2 GLU 23 HG3 GLU 23 1.671 1.113 -14.022 181 HG3 GLU 23 HG2 GLU 23 2.476 1.846 -15.407 182 H ALA 24 HN ALA 24 6.167 -0.721 -14.037 183 HA ALA 24 HA ALA 24 7.764 -0.994 -11.773 184 HB1 ALA 24 HB1 ALA 24 8.592 -0.007 -14.508 185 HB2 ALA 24 HB2 ALA 24 8.483 -1.696 -14.009 186 HB3 ALA 24 HB3 ALA 24 9.677 -0.631 -13.265 187 H VAL 25 HN VAL 25 7.012 1.851 -13.694 188 HA VAL 25 HA VAL 25 8.615 3.694 -12.303 189 HB VAL 25 HB VAL 25 7.680 4.233 -14.516 190 HG11 VAL 25 HG11 VAL 25 5.340 4.824 -14.804 191 HG12 VAL 25 HG12 VAL 25 5.047 4.397 -13.121 192 HG13 VAL 25 HG13 VAL 25 5.508 3.135 -14.282 193 HG21 VAL 25 HG21 VAL 25 6.657 6.079 -12.393 194 HG22 VAL 25 HG22 VAL 25 6.843 6.486 -14.094 195 HG23 VAL 25 HG23 VAL 25 8.280 6.126 -13.110 196 H GLU 26 HN GLU 26 5.367 2.522 -11.717 197 HA GLU 26 HA GLU 26 4.695 4.464 -9.751 198 HB2 GLU 26 HB3 GLU 26 3.525 1.739 -10.261 199 HB3 GLU 26 HB2 GLU 26 2.789 3.011 -9.284 200 HG2 GLU 26 HG3 GLU 26 3.343 3.140 -12.239 201 HG3 GLU 26 HG2 GLU 26 1.775 2.775 -11.519 202 H LEU 27 HN LEU 27 5.838 1.125 -9.684 203 HA LEU 27 HA LEU 27 6.011 0.792 -6.907 204 HB2 LEU 27 HB2 LEU 27 7.666 -0.423 -9.122 205 HB3 LEU 27 HB1 LEU 27 7.686 -0.972 -7.460 206 HG LEU 27 HG LEU 27 5.251 -1.056 -9.248 207 HD11 LEU 27 HD11 LEU 27 7.166 -3.253 -8.463 208 HD12 LEU 27 HD12 LEU 27 6.988 -2.554 -10.072 209 HD13 LEU 27 HD13 LEU 27 5.661 -3.465 -9.358 210 HD21 LEU 27 HD21 LEU 27 4.359 -2.539 -7.510 211 HD22 LEU 27 HD22 LEU 27 4.706 -0.935 -6.875 212 HD23 LEU 27 HD23 LEU 27 5.806 -2.272 -6.536 213 H LYS 28 HN LYS 28 8.210 2.118 -9.264 214 HA LYS 28 HA LYS 28 10.503 2.472 -7.707 215 HB2 LYS 28 HB2 LYS 28 10.391 2.669 -10.164 216 HB3 LYS 28 HB1 LYS 28 9.447 4.134 -9.993 217 HG2 LYS 28 HG2 LYS 28 11.364 5.256 -8.986 218 HG3 LYS 28 HG1 LYS 28 12.305 3.766 -9.136 219 HD2 LYS 28 HD2 LYS 28 11.954 3.807 -11.572 220 HD3 LYS 28 HD1 LYS 28 11.072 5.320 -11.403 221 HE2 LYS 28 HE2 LYS 28 13.052 6.415 -10.563 222 HE3 LYS 28 HE1 LYS 28 13.933 4.889 -10.597 223 HZ1 LYS 28 HZ1 LYS 28 14.474 6.213 -12.542 224 HZ2 LYS 28 HZ2 LYS 28 12.851 6.327 -12.966 225 HZ3 LYS 28 HZ3 LYS 28 13.628 4.842 -13.017 226 H LYS 29 HN LYS 29 7.723 4.554 -8.250 227 HA LYS 29 HA LYS 29 8.623 6.756 -6.687 228 HB2 LYS 29 HB2 LYS 29 5.856 5.890 -7.386 229 HB3 LYS 29 HB1 LYS 29 6.265 7.474 -6.752 230 HG2 LYS 29 HG2 LYS 29 7.756 7.820 -8.832 231 HG3 LYS 29 HG1 LYS 29 7.045 6.343 -9.425 232 HD2 LYS 29 HD2 LYS 29 5.362 8.693 -8.628 233 HD3 LYS 29 HD1 LYS 29 6.016 8.471 -10.251 234 HE2 LYS 29 HE2 LYS 29 4.895 6.338 -10.421 235 HE3 LYS 29 HE1 LYS 29 4.234 6.532 -8.795 236 HZ1 LYS 29 HZ1 LYS 29 3.702 8.417 -11.025 237 HZ2 LYS 29 HZ2 LYS 29 2.867 8.318 -9.557 238 HZ3 LYS 29 HZ3 LYS 29 2.773 7.068 -10.701 239 H PHE 30 HN PHE 30 6.457 4.099 -6.159 240 HA PHE 30 HA PHE 30 5.596 4.575 -3.611 241 HB2 PHE 30 HB2 PHE 30 4.425 2.979 -4.767 242 HB3 PHE 30 HB1 PHE 30 5.868 2.231 -5.400 243 HD1 PHE 30 HD2 PHE 30 3.812 2.562 -2.330 244 HD2 PHE 30 HD1 PHE 30 6.638 0.326 -4.502 245 HE1 PHE 30 HE2 PHE 30 3.552 0.704 -0.724 246 HE2 PHE 30 HE1 PHE 30 6.394 -1.559 -2.908 247 HZ PHE 30 HZ PHE 30 4.837 -1.352 -1.019 248 H LYS 31 HN LYS 31 8.475 2.716 -4.587 249 HA LYS 31 HA LYS 31 9.177 2.213 -1.842 250 HB2 LYS 31 HB2 LYS 31 11.161 1.113 -2.668 251 HB3 LYS 31 HB1 LYS 31 9.781 0.609 -3.623 252 HG2 LYS 31 HG2 LYS 31 10.495 2.198 -5.392 253 HG3 LYS 31 HG1 LYS 31 11.935 2.551 -4.433 254 HD2 LYS 31 HD2 LYS 31 12.524 0.149 -4.496 255 HD3 LYS 31 HD1 LYS 31 11.130 -0.142 -5.537 256 HE2 LYS 31 HE2 LYS 31 13.110 0.002 -6.893 257 HE3 LYS 31 HE1 LYS 31 12.124 1.425 -7.203 258 HZ1 LYS 31 HZ1 LYS 31 14.434 2.022 -6.964 259 HZ2 LYS 31 HZ2 LYS 31 14.530 1.242 -5.498 260 HZ3 LYS 31 HZ3 LYS 31 13.615 2.646 -5.627 261 H LEU 32 HN LEU 32 9.945 4.812 -4.021 262 HA LEU 32 HA LEU 32 12.076 5.619 -2.257 263 HB2 LEU 32 HB2 LEU 32 12.367 7.568 -3.632 264 HB3 LEU 32 HB1 LEU 32 12.186 6.190 -4.682 265 HG LEU 32 HG LEU 32 9.697 7.037 -4.897 266 HD11 LEU 32 HD11 LEU 32 9.742 8.706 -3.176 267 HD12 LEU 32 HD12 LEU 32 9.454 9.451 -4.749 268 HD13 LEU 32 HD13 LEU 32 11.047 9.559 -3.997 269 HD21 LEU 32 HD21 LEU 32 12.019 8.476 -6.158 270 HD22 LEU 32 HD22 LEU 32 10.364 8.473 -6.769 271 HD23 LEU 32 HD23 LEU 32 11.296 6.971 -6.729 272 H TYR 33 HN TYR 33 8.706 6.259 -2.673 273 HA TYR 33 HA TYR 33 8.575 8.478 -0.993 274 HB2 TYR 33 HB2 TYR 33 6.691 7.948 -2.446 275 HB3 TYR 33 HB1 TYR 33 6.423 6.431 -1.583 276 HD1 TYR 33 HD1 TYR 33 6.222 10.081 -1.331 277 HD2 TYR 33 HD2 TYR 33 5.317 6.388 0.527 278 HE1 TYR 33 HE1 TYR 33 4.822 11.262 0.351 279 HE2 TYR 33 HE2 TYR 33 3.925 7.525 2.187 280 HH TYR 33 HH TYR 33 4.004 9.935 3.183 281 H LEU 34 HN LEU 34 7.736 5.110 -0.190 282 HA LEU 34 HA LEU 34 7.780 5.886 2.597 283 HB2 LEU 34 HB2 LEU 34 7.097 3.516 3.008 284 HB3 LEU 34 HB1 LEU 34 5.995 4.499 2.073 285 HG LEU 34 HG LEU 34 6.836 3.343 0.012 286 HD11 LEU 34 HD11 LEU 34 8.956 2.505 0.791 287 HD12 LEU 34 HD12 LEU 34 7.928 1.168 0.269 288 HD13 LEU 34 HD13 LEU 34 8.150 1.498 1.991 289 HD21 LEU 34 HD21 LEU 34 5.547 1.673 2.146 290 HD22 LEU 34 HD22 LEU 34 5.536 1.329 0.416 291 HD23 LEU 34 HD23 LEU 34 4.739 2.777 1.032 292 H GLY 35 HN GLY 35 10.031 4.505 0.435 293 HA2 GLY 35 HA3 GLY 35 11.326 3.010 2.422 294 HA3 GLY 35 HA2 GLY 35 12.001 3.353 0.822 295 H THR 36 HN THR 36 12.231 6.032 0.826 296 HA THR 36 HA THR 36 14.150 6.439 3.010 297 HB THR 36 HB THR 36 15.156 6.595 0.754 298 HG1 THR 36 HG1 THR 36 15.041 8.968 2.256 299 HG21 THR 36 HG21 THR 36 14.606 8.430 -0.782 300 HG22 THR 36 HG22 THR 36 13.320 8.958 0.304 301 HG23 THR 36 HG23 THR 36 13.203 7.399 -0.508 302 H ALA 37 HN ALA 37 11.269 6.794 3.099 303 HA ALA 37 HA ALA 37 10.490 9.495 3.262 304 HB1 ALA 37 HB1 ALA 37 8.622 8.684 4.605 305 HB2 ALA 37 HB2 ALA 37 9.418 7.111 4.742 306 HB3 ALA 37 HB3 ALA 37 8.889 7.705 3.166 307 H THR 38 HN THR 38 11.272 10.974 4.552 308 HA THR 38 HA THR 38 12.638 10.399 6.975 309 HB THR 38 HB THR 38 11.583 13.082 6.033 310 HG1 THR 38 HG1 THR 38 14.197 12.405 5.405 311 HG21 THR 38 HG21 THR 38 12.566 13.007 8.306 312 HG22 THR 38 HG22 THR 38 13.560 13.957 7.205 313 HG23 THR 38 HG23 THR 38 14.045 12.317 7.634 314 H GLU 39 HN GLU 39 9.473 11.132 5.990 315 HA GLU 39 HA GLU 39 8.300 11.977 8.428 316 HB2 GLU 39 HB3 GLU 39 6.122 11.348 7.357 317 HB3 GLU 39 HB2 GLU 39 7.125 12.417 6.389 318 HG2 GLU 39 HG3 GLU 39 7.842 10.514 5.041 319 HG3 GLU 39 HG2 GLU 39 6.835 9.445 6.014 320 H LEU 40 HN LEU 40 9.380 8.924 7.442 321 HA LEU 40 HA LEU 40 7.700 7.473 9.340 322 HB2 LEU 40 HB2 LEU 40 9.853 6.574 7.476 323 HB3 LEU 40 HB1 LEU 40 9.001 5.551 8.613 324 HG LEU 40 HG LEU 40 7.857 6.968 6.192 325 HD11 LEU 40 HD11 LEU 40 8.222 4.056 6.808 326 HD12 LEU 40 HD12 LEU 40 9.157 5.009 5.654 327 HD13 LEU 40 HD13 LEU 40 7.441 4.715 5.374 328 HD21 LEU 40 HD21 LEU 40 5.789 5.794 6.660 329 HD22 LEU 40 HD22 LEU 40 6.171 6.960 7.928 330 HD23 LEU 40 HD23 LEU 40 6.430 5.227 8.205 331 H GLY 41 HN GLY 41 10.183 9.325 9.569 332 HA2 GLY 41 HA3 GLY 41 11.443 9.763 11.505 333 HA3 GLY 41 HA2 GLY 41 11.051 8.144 12.083 334 H GLU 42 HN GLU 42 12.004 6.394 10.770 335 HA GLU 42 HA GLU 42 14.875 6.953 10.415 336 HB2 GLU 42 HB3 GLU 42 13.450 4.311 10.467 337 HB3 GLU 42 HB2 GLU 42 15.177 4.563 10.442 338 HG2 GLU 42 HG3 GLU 42 14.958 5.641 12.679 339 HG3 GLU 42 HG2 GLU 42 13.262 5.141 12.670 340 H GLY 43 HN GLY 43 12.031 5.951 8.676 341 HA2 GLY 43 HA3 GLY 43 11.767 5.360 6.425 342 HA3 GLY 43 HA2 GLY 43 13.499 5.666 6.187 343 H LYS 44 HN LYS 44 11.144 3.348 7.168 344 HA LYS 44 HA LYS 44 12.851 1.546 8.511 345 HB2 LYS 44 HB2 LYS 44 10.125 1.061 7.331 346 HB3 LYS 44 HB1 LYS 44 10.985 -0.060 8.371 347 HG2 LYS 44 HG2 LYS 44 10.182 2.732 9.175 348 HG3 LYS 44 HG1 LYS 44 9.254 1.278 9.541 349 HD2 LYS 44 HD2 LYS 44 11.164 0.398 10.821 350 HD3 LYS 44 HD1 LYS 44 12.079 1.861 10.457 351 HE2 LYS 44 HE2 LYS 44 10.420 3.208 11.628 352 HE3 LYS 44 HE1 LYS 44 9.463 1.769 11.961 353 HZ1 LYS 44 HZ1 LYS 44 12.234 2.229 12.951 354 HZ2 LYS 44 HZ2 LYS 44 11.205 0.941 13.391 355 HZ3 LYS 44 HZ3 LYS 44 10.834 2.516 13.822 356 H ILE 45 HN ILE 45 12.556 1.979 5.167 357 HA ILE 45 HA ILE 45 13.043 -0.783 4.571 358 HB ILE 45 HB ILE 45 13.040 1.636 2.755 359 HG12 ILE 45 HG12 ILE 45 10.838 1.146 3.642 360 HG13 ILE 45 HG11 ILE 45 10.886 0.685 1.946 361 HG21 ILE 45 HG21 ILE 45 13.237 -1.279 1.977 362 HG22 ILE 45 HG22 ILE 45 14.507 -0.078 1.817 363 HG23 ILE 45 HG23 ILE 45 13.033 0.070 0.857 364 HD11 ILE 45 HD11 ILE 45 11.025 -1.176 4.326 365 HD12 ILE 45 HD12 ILE 45 11.185 -1.673 2.647 366 HD13 ILE 45 HD13 ILE 45 9.674 -0.967 3.213 367 HA PRO 46 HA PRO 46 17.408 -0.604 5.172 368 HB2 PRO 46 HB2 PRO 46 17.981 -3.035 4.030 369 HB3 PRO 46 HB1 PRO 46 17.395 -2.820 5.677 370 HG2 PRO 46 HG2 PRO 46 15.923 -3.613 3.228 371 HG3 PRO 46 HG1 PRO 46 15.711 -4.155 4.909 372 HD2 PRO 46 HD2 PRO 46 14.090 -2.381 3.635 373 HD3 PRO 46 HD1 PRO 46 14.331 -2.410 5.391 374 H TRP 47 HN TRP 47 19.268 -1.805 3.549 375 HA TRP 47 HA TRP 47 19.627 0.347 1.736 376 HB2 TRP 47 HB2 TRP 47 21.439 -1.985 2.341 377 HB3 TRP 47 HB1 TRP 47 21.891 -0.518 1.485 378 HD1 TRP 47 HD1 TRP 47 22.318 1.672 2.957 379 HE1 TRP 47 HE1 TRP 47 22.670 2.027 5.485 380 HE3 TRP 47 HE3 TRP 47 20.697 -2.870 4.653 381 HZ2 TRP 47 HZ2 TRP 47 22.307 0.571 7.878 382 HZ3 TRP 47 HZ3 TRP 47 20.724 -3.312 7.061 383 HH2 TRP 47 HH2 TRP 47 21.518 -1.626 8.649 384 H GLY 48 HN GLY 48 17.799 -0.379 0.379 385 HA2 GLY 48 HA3 GLY 48 17.434 -0.676 -1.921 386 HA3 GLY 48 HA2 GLY 48 19.000 -1.438 -2.035 387 H SER 49 HN SER 49 16.531 -2.530 0.226 388 HA SER 49 HA SER 49 16.679 -5.130 -0.920 389 HB2 SER 49 HB2 SER 49 14.828 -4.073 1.215 390 HB3 SER 49 HB1 SER 49 15.128 -5.774 0.849 391 HG SER 49 HG SER 49 16.630 -5.570 2.244 392 H MET 50 HN MET 50 14.509 -2.422 -1.343 393 HA MET 50 HA MET 50 12.402 -4.110 -2.410 394 HB2 MET 50 HB2 MET 50 12.538 -1.091 -2.295 395 HB3 MET 50 HB1 MET 50 11.158 -2.027 -2.830 396 HG2 MET 50 HG2 MET 50 10.991 -3.029 -0.602 397 HG3 MET 50 HG1 MET 50 12.342 -2.031 -0.068 398 HE1 MET 50 HE1 MET 50 8.177 -0.447 -1.256 399 HE2 MET 50 HE2 MET 50 8.595 -2.156 -1.126 400 HE3 MET 50 HE3 MET 50 9.273 -1.179 -2.425 401 H GLU 51 HN GLU 51 15.197 -3.188 -3.578 402 HA GLU 51 HA GLU 51 14.525 -2.185 -6.166 403 HB2 GLU 51 HB3 GLU 51 16.994 -3.557 -5.204 404 HB3 GLU 51 HB2 GLU 51 16.841 -2.637 -6.691 405 HG2 GLU 51 HG3 GLU 51 16.801 -1.649 -3.837 406 HG3 GLU 51 HG2 GLU 51 17.968 -1.247 -5.090 407 H LYS 52 HN LYS 52 15.525 -5.248 -4.860 408 HA LYS 52 HA LYS 52 15.353 -6.723 -7.342 409 HB2 LYS 52 HB2 LYS 52 15.474 -7.711 -4.509 410 HB3 LYS 52 HB1 LYS 52 15.808 -8.657 -5.946 411 HG2 LYS 52 HG2 LYS 52 17.804 -7.343 -6.382 412 HG3 LYS 52 HG1 LYS 52 17.442 -6.307 -5.000 413 HD2 LYS 52 HD2 LYS 52 17.959 -9.283 -4.842 414 HD3 LYS 52 HD1 LYS 52 19.147 -8.034 -4.473 415 HE2 LYS 52 HE2 LYS 52 17.718 -7.199 -2.669 416 HE3 LYS 52 HE1 LYS 52 16.504 -8.410 -3.032 417 HZ1 LYS 52 HZ1 LYS 52 19.254 -8.930 -2.075 418 HZ2 LYS 52 HZ2 LYS 52 18.090 -10.129 -2.426 419 HZ3 LYS 52 HZ3 LYS 52 17.835 -9.034 -1.177 420 H ALA 53 HN ALA 53 13.252 -5.735 -4.926 421 HA ALA 53 HA ALA 53 11.535 -8.065 -4.915 422 HB1 ALA 53 HB1 ALA 53 10.303 -6.918 -3.187 423 HB2 ALA 53 HB2 ALA 53 11.206 -5.435 -3.514 424 HB3 ALA 53 HB3 ALA 53 12.040 -6.839 -2.852 425 H GLY 54 HN GLY 54 9.719 -8.337 -6.055 426 HA2 GLY 54 HA3 GLY 54 8.713 -6.144 -7.665 427 HA3 GLY 54 HA2 GLY 54 8.276 -7.858 -7.767 428 HA PRO 55 HA PRO 55 4.849 -5.382 -5.599 429 HB2 PRO 55 HB2 PRO 55 3.401 -7.602 -6.964 430 HB3 PRO 55 HB1 PRO 55 2.951 -5.902 -6.813 431 HG2 PRO 55 HG2 PRO 55 3.923 -6.870 -9.099 432 HG3 PRO 55 HG1 PRO 55 4.342 -5.240 -8.540 433 HD2 PRO 55 HD2 PRO 55 6.048 -7.722 -8.528 434 HD3 PRO 55 HD1 PRO 55 6.498 -6.024 -8.703 435 H LEU 56 HN LEU 56 5.142 -8.854 -6.036 436 HA LEU 56 HA LEU 56 3.752 -9.678 -3.674 437 HB2 LEU 56 HB2 LEU 56 4.108 -11.184 -5.564 438 HB3 LEU 56 HB1 LEU 56 5.836 -11.093 -5.324 439 HG LEU 56 HG LEU 56 5.527 -12.205 -3.121 440 HD11 LEU 56 HD11 LEU 56 3.434 -13.389 -2.699 441 HD12 LEU 56 HD12 LEU 56 2.709 -12.605 -4.104 442 HD13 LEU 56 HD13 LEU 56 3.203 -11.641 -2.715 443 HD21 LEU 56 HD21 LEU 56 5.205 -14.426 -4.095 444 HD22 LEU 56 HD22 LEU 56 6.235 -13.401 -5.105 445 HD23 LEU 56 HD23 LEU 56 4.557 -13.681 -5.559 446 H GLU 57 HN GLU 57 7.187 -9.356 -4.393 447 HA GLU 57 HA GLU 57 7.876 -10.128 -1.756 448 HB2 GLU 57 HB3 GLU 57 9.552 -8.958 -3.949 449 HB3 GLU 57 HB2 GLU 57 10.224 -9.511 -2.424 450 HG2 GLU 57 HG3 GLU 57 9.066 -11.733 -2.949 451 HG3 GLU 57 HG2 GLU 57 8.888 -11.097 -4.582 452 H MET 58 HN MET 58 7.380 -7.051 -3.299 453 HA MET 58 HA MET 58 8.361 -5.429 -1.207 454 HB2 MET 58 HB2 MET 58 6.182 -4.985 -3.233 455 HB3 MET 58 HB1 MET 58 6.586 -3.742 -2.066 456 HG2 MET 58 HG2 MET 58 8.915 -3.768 -2.956 457 HG3 MET 58 HG1 MET 58 8.400 -4.960 -4.147 458 HE1 MET 58 HE1 MET 58 9.418 -3.331 -6.051 459 HE2 MET 58 HE2 MET 58 9.873 -2.238 -4.753 460 HE3 MET 58 HE3 MET 58 9.006 -1.617 -6.152 461 H ALA 59 HN ALA 59 5.222 -6.916 -1.780 462 HA ALA 59 HA ALA 59 3.841 -5.931 0.384 463 HB1 ALA 59 HB1 ALA 59 3.678 -8.723 -0.764 464 HB2 ALA 59 HB2 ALA 59 2.837 -7.307 -1.389 465 HB3 ALA 59 HB3 ALA 59 2.439 -7.930 0.212 466 H GLN 60 HN GLN 60 6.108 -8.596 0.227 467 HA GLN 60 HA GLN 60 5.714 -9.421 2.921 468 HB2 GLN 60 HB2 GLN 60 8.132 -9.975 1.223 469 HB3 GLN 60 HB1 GLN 60 7.541 -10.885 2.611 470 HG2 GLN 60 HG2 GLN 60 5.487 -11.386 1.299 471 HG3 GLN 60 HG1 GLN 60 6.275 -10.638 -0.074 472 HE21 GLN 60 HE21 GLN 60 6.323 -13.331 2.078 473 HE22 GLN 60 HE22 GLN 60 7.380 -14.327 1.142 474 H LEU 61 HN LEU 61 7.849 -7.189 1.323 475 HA LEU 61 HA LEU 61 9.554 -6.848 3.552 476 HB2 LEU 61 HB2 LEU 61 9.223 -5.531 0.949 477 HB3 LEU 61 HB1 LEU 61 9.914 -4.517 2.191 478 HG LEU 61 HG LEU 61 11.740 -6.144 2.509 479 HD11 LEU 61 HD11 LEU 61 10.489 -7.667 0.238 480 HD12 LEU 61 HD12 LEU 61 10.576 -8.195 1.916 481 HD13 LEU 61 HD13 LEU 61 12.057 -7.998 0.974 482 HD21 LEU 61 HD21 LEU 61 11.328 -5.319 -0.348 483 HD22 LEU 61 HD22 LEU 61 12.861 -5.806 0.374 484 HD23 LEU 61 HD23 LEU 61 12.048 -4.346 0.934 485 H LEU 62 HN LEU 62 6.835 -4.813 2.355 486 HA LEU 62 HA LEU 62 6.994 -3.066 4.523 487 HB2 LEU 62 HB2 LEU 62 4.593 -3.761 2.807 488 HB3 LEU 62 HB1 LEU 62 4.559 -2.538 4.045 489 HG LEU 62 HG LEU 62 4.757 -1.401 1.965 490 HD11 LEU 62 HD11 LEU 62 6.837 -0.237 2.123 491 HD12 LEU 62 HD12 LEU 62 7.453 -1.472 3.222 492 HD13 LEU 62 HD13 LEU 62 6.090 -0.460 3.706 493 HD21 LEU 62 HD21 LEU 62 6.535 -1.812 0.371 494 HD22 LEU 62 HD22 LEU 62 5.479 -3.219 0.629 495 HD23 LEU 62 HD23 LEU 62 7.072 -3.174 1.374 496 H ILE 63 HN ILE 63 5.336 -6.166 4.160 497 HA ILE 63 HA ILE 63 3.872 -6.007 6.566 498 HB ILE 63 HB ILE 63 3.765 -7.703 4.485 499 HG12 ILE 63 HG12 ILE 63 2.106 -7.442 6.268 500 HG13 ILE 63 HG11 ILE 63 2.208 -9.084 5.658 501 HG21 ILE 63 HG21 ILE 63 4.494 -9.964 5.044 502 HG22 ILE 63 HG22 ILE 63 5.250 -9.346 6.509 503 HG23 ILE 63 HG23 ILE 63 5.857 -8.843 4.934 504 HD11 ILE 63 HD11 ILE 63 3.338 -8.061 8.260 505 HD12 ILE 63 HD12 ILE 63 3.540 -9.702 7.649 506 HD13 ILE 63 HD13 ILE 63 1.929 -9.106 8.069 507 H THR 64 HN THR 64 7.176 -6.948 5.963 508 HA THR 64 HA THR 64 7.577 -8.104 8.551 509 HB THR 64 HB THR 64 9.666 -7.147 6.569 510 HG1 THR 64 HG1 THR 64 8.530 -8.700 5.534 511 HG21 THR 64 HG21 THR 64 11.137 -8.757 7.708 512 HG22 THR 64 HG22 THR 64 9.839 -9.150 8.836 513 HG23 THR 64 HG23 THR 64 10.552 -7.537 8.841 514 H HIS 65 HN HIS 65 8.345 -4.981 7.071 515 HA HIS 65 HA HIS 65 9.704 -4.068 9.427 516 HB2 HIS 65 HB2 HIS 65 8.939 -2.591 6.910 517 HB3 HIS 65 HB1 HIS 65 9.860 -1.880 8.234 518 HD1 HIS 65 HD1 HIS 65 12.351 -2.714 8.521 519 HD2 HIS 65 HD2 HIS 65 10.324 -4.321 5.269 520 HE1 HIS 65 HE1 HIS 65 14.069 -3.859 7.120 521 H PHE 66 HN PHE 66 6.695 -3.130 7.826 522 HA PHE 66 HA PHE 66 5.989 -1.435 10.034 523 HB2 PHE 66 HB2 PHE 66 4.552 -2.135 7.489 524 HB3 PHE 66 HB1 PHE 66 4.026 -0.907 8.650 525 HD1 PHE 66 HD2 PHE 66 5.369 1.062 9.038 526 HD2 PHE 66 HD1 PHE 66 6.374 -1.771 6.063 527 HE1 PHE 66 HE2 PHE 66 6.973 2.662 8.056 528 HE2 PHE 66 HE1 PHE 66 7.981 -0.212 5.088 529 HZ PHE 66 HZ PHE 66 8.295 1.973 6.068 530 H GLY 67 HN GLY 67 4.442 -4.242 8.541 531 HA2 GLY 67 HA3 GLY 67 3.815 -5.893 10.417 532 HA3 GLY 67 HA2 GLY 67 2.809 -4.544 10.952 533 HA PRO 68 HA PRO 68 0.722 -7.268 7.670 534 HB2 PRO 68 HB2 PRO 68 -1.630 -7.522 9.127 535 HB3 PRO 68 HB1 PRO 68 -0.346 -8.730 9.029 536 HG2 PRO 68 HG2 PRO 68 -0.920 -6.743 11.172 537 HG3 PRO 68 HG1 PRO 68 -0.273 -8.383 11.301 538 HD2 PRO 68 HD2 PRO 68 1.277 -6.174 11.543 539 HD3 PRO 68 HD1 PRO 68 1.890 -7.690 10.872 540 H GLU 69 HN GLU 69 -1.294 -5.205 9.705 541 HA GLU 69 HA GLU 69 -2.711 -4.313 7.380 542 HB2 GLU 69 HB3 GLU 69 -2.982 -3.514 10.252 543 HB3 GLU 69 HB2 GLU 69 -4.066 -3.026 8.956 544 HG2 GLU 69 HG3 GLU 69 -3.594 -5.832 9.952 545 HG3 GLU 69 HG2 GLU 69 -5.020 -4.811 10.134 546 H GLU 70 HN GLU 70 -0.135 -3.273 9.321 547 HA GLU 70 HA GLU 70 -0.181 -0.469 8.775 548 HB2 GLU 70 HB3 GLU 70 1.071 -1.739 10.638 549 HB3 GLU 70 HB2 GLU 70 2.278 -2.090 9.413 550 HG2 GLU 70 HG3 GLU 70 3.057 -0.207 10.605 551 HG3 GLU 70 HG2 GLU 70 2.467 0.400 9.059 552 H ALA 71 HN ALA 71 1.507 -3.256 7.301 553 HA ALA 71 HA ALA 71 2.957 -2.041 5.237 554 HB1 ALA 71 HB1 ALA 71 1.407 -4.619 5.177 555 HB2 ALA 71 HB2 ALA 71 3.055 -4.399 5.783 556 HB3 ALA 71 HB3 ALA 71 2.705 -4.157 4.076 557 H TRP 72 HN TRP 72 -0.339 -3.290 5.153 558 HA TRP 72 HA TRP 72 -0.971 -2.495 2.586 559 HB2 TRP 72 HB2 TRP 72 -2.364 -4.064 3.666 560 HB3 TRP 72 HB1 TRP 72 -2.692 -2.979 5.013 561 HD1 TRP 72 HD1 TRP 72 -5.184 -2.396 4.885 562 HE1 TRP 72 HE1 TRP 72 -6.789 -1.592 3.035 563 HE3 TRP 72 HE3 TRP 72 -2.059 -2.689 0.883 564 HZ2 TRP 72 HZ2 TRP 72 -6.719 -1.127 0.333 565 HZ3 TRP 72 HZ3 TRP 72 -2.954 -2.053 -1.370 566 HH2 TRP 72 HH2 TRP 72 -5.219 -1.294 -1.610 567 H ARG 73 HN ARG 73 -1.350 -0.803 5.603 568 HA ARG 73 HA ARG 73 -2.684 1.420 4.646 569 HB2 ARG 73 HB2 ARG 73 -2.532 0.910 6.993 570 HB3 ARG 73 HB1 ARG 73 -0.791 1.114 6.969 571 HG2 ARG 73 HG2 ARG 73 -1.094 3.509 6.567 572 HG3 ARG 73 HG1 ARG 73 -2.851 3.283 6.616 573 HD2 ARG 73 HD2 ARG 73 -2.665 2.363 8.868 574 HD3 ARG 73 HD1 ARG 73 -0.926 2.598 8.820 575 HE ARG 73 HE ARG 73 -2.644 4.913 8.484 576 HH11 ARG 73 HH11 ARG 73 -0.382 3.058 10.510 577 HH12 ARG 73 HH12 ARG 73 -0.290 4.236 11.727 578 HH21 ARG 73 HH21 ARG 73 -2.476 6.567 10.215 579 HH22 ARG 73 HH22 ARG 73 -1.463 6.254 11.556 580 H LEU 74 HN LEU 74 0.752 0.784 5.110 581 HA LEU 74 HA LEU 74 1.830 3.177 4.227 582 HB2 LEU 74 HB2 LEU 74 2.785 0.428 4.556 583 HB3 LEU 74 HB1 LEU 74 3.647 1.316 3.328 584 HG LEU 74 HG LEU 74 4.735 1.345 5.566 585 HD11 LEU 74 HD11 LEU 74 5.258 3.093 3.980 586 HD12 LEU 74 HD12 LEU 74 5.232 3.735 5.607 587 HD13 LEU 74 HD13 LEU 74 3.870 4.042 4.522 588 HD21 LEU 74 HD21 LEU 74 3.809 2.753 7.325 589 HD22 LEU 74 HD22 LEU 74 2.731 1.409 6.953 590 HD23 LEU 74 HD23 LEU 74 2.360 3.029 6.359 591 H ALA 75 HN ALA 75 0.955 0.310 2.342 592 HA ALA 75 HA ALA 75 1.869 1.385 -0.115 593 HB1 ALA 75 HB1 ALA 75 1.552 -0.992 0.177 594 HB2 ALA 75 HB2 ALA 75 0.650 -0.373 -1.198 595 HB3 ALA 75 HB3 ALA 75 -0.193 -0.752 0.307 596 H LEU 76 HN LEU 76 -1.450 1.229 1.220 597 HA LEU 76 HA LEU 76 -2.522 2.525 -1.037 598 HB2 LEU 76 HB2 LEU 76 -4.608 2.765 0.167 599 HB3 LEU 76 HB1 LEU 76 -3.930 1.193 0.493 600 HG LEU 76 HG LEU 76 -3.058 2.394 2.683 601 HD11 LEU 76 HD11 LEU 76 -5.475 4.036 1.995 602 HD12 LEU 76 HD12 LEU 76 -3.812 4.612 2.114 603 HD13 LEU 76 HD13 LEU 76 -4.642 4.014 3.551 604 HD21 LEU 76 HD21 LEU 76 -5.894 1.489 2.254 605 HD22 LEU 76 HD22 LEU 76 -5.104 1.657 3.827 606 HD23 LEU 76 HD23 LEU 76 -4.510 0.476 2.660 607 H SER 77 HN SER 77 -1.308 3.809 1.976 608 HA SER 77 HA SER 77 -1.973 6.443 1.239 609 HB2 SER 77 HB2 SER 77 -0.750 5.104 3.527 610 HB3 SER 77 HB1 SER 77 -0.481 6.881 3.404 611 HG SER 77 HG SER 77 -2.822 6.788 2.944 612 H THR 78 HN THR 78 0.392 4.491 0.171 613 HA THR 78 HA THR 78 2.091 6.741 -0.456 614 HB THR 78 HB THR 78 2.425 3.781 -1.061 615 HG1 THR 78 HG1 THR 78 2.860 4.208 1.044 616 HG21 THR 78 HG21 THR 78 4.698 4.396 -1.785 617 HG22 THR 78 HG22 THR 78 4.258 6.103 -1.642 618 HG23 THR 78 HG23 THR 78 3.453 5.080 -2.831 619 H PHE 79 HN PHE 79 -0.147 4.407 -1.896 620 HA PHE 79 HA PHE 79 0.091 4.895 -4.576 621 HB2 PHE 79 HB2 PHE 79 -2.519 4.525 -3.072 622 HB3 PHE 79 HB1 PHE 79 -2.357 4.401 -4.813 623 HD1 PHE 79 HD1 PHE 79 0.420 2.814 -4.401 624 HD2 PHE 79 HD2 PHE 79 -3.566 2.400 -2.970 625 HE1 PHE 79 HE1 PHE 79 0.764 0.399 -4.111 626 HE2 PHE 79 HE2 PHE 79 -3.218 -0.012 -2.677 627 HZ PHE 79 HZ PHE 79 -1.048 -1.016 -3.250 628 H GLU 80 HN GLU 80 -1.933 6.584 -2.213 629 HA GLU 80 HA GLU 80 -3.122 8.470 -3.862 630 HB2 GLU 80 HB3 GLU 80 -3.422 9.807 -1.726 631 HB3 GLU 80 HB2 GLU 80 -4.059 8.170 -1.717 632 HG2 GLU 80 HG3 GLU 80 -2.188 7.386 -0.481 633 HG3 GLU 80 HG2 GLU 80 -1.395 8.945 -0.567 634 H ARG 81 HN ARG 81 -0.049 8.703 -2.149 635 HA ARG 81 HA ARG 81 0.177 11.466 -2.981 636 HB2 ARG 81 HB2 ARG 81 1.888 9.830 -1.133 637 HB3 ARG 81 HB1 ARG 81 2.176 11.529 -1.515 638 HG2 ARG 81 HG2 ARG 81 0.115 12.192 -0.556 639 HG3 ARG 81 HG1 ARG 81 -0.429 10.533 -0.384 640 HD2 ARG 81 HD2 ARG 81 1.506 10.182 1.160 641 HD3 ARG 81 HD1 ARG 81 1.780 11.921 1.086 642 HE ARG 81 HE ARG 81 -0.687 11.980 1.820 643 HH11 ARG 81 HH11 ARG 81 1.825 9.766 3.003 644 HH12 ARG 81 HH12 ARG 81 1.016 9.447 4.488 645 HH21 ARG 81 HH21 ARG 81 -1.734 11.536 3.894 646 HH22 ARG 81 HH22 ARG 81 -0.987 10.456 4.985 647 H ILE 82 HN ILE 82 1.264 8.481 -4.176 648 HA ILE 82 HA ILE 82 3.427 9.781 -5.653 649 HB ILE 82 HB ILE 82 3.882 7.596 -6.690 650 HG12 ILE 82 HG12 ILE 82 1.603 6.531 -4.999 651 HG13 ILE 82 HG11 ILE 82 1.550 6.756 -6.741 652 HG21 ILE 82 HG21 ILE 82 3.631 7.439 -3.697 653 HG22 ILE 82 HG22 ILE 82 4.993 8.094 -4.606 654 HG23 ILE 82 HG23 ILE 82 4.618 6.372 -4.695 655 HD11 ILE 82 HD11 ILE 82 3.361 4.866 -5.256 656 HD12 ILE 82 HD12 ILE 82 3.301 5.071 -7.007 657 HD13 ILE 82 HD13 ILE 82 1.904 4.423 -6.145 658 H ASN 83 HN ASN 83 0.407 10.087 -5.854 659 HA ASN 83 HA ASN 83 -1.133 10.689 -7.361 660 HB2 ASN 83 HB3 ASN 83 0.679 12.091 -8.300 661 HB3 ASN 83 HB2 ASN 83 1.158 10.772 -9.354 662 HD21 ASN 83 HD21 ASN 83 -2.190 11.753 -8.642 663 HD22 ASN 83 HD22 ASN 83 -2.552 12.265 -10.225 664 H ARG 84 HN ARG 84 -1.342 8.307 -6.750 665 HA ARG 84 HA ARG 84 -2.348 6.980 -9.140 666 HB2 ARG 84 HB2 ARG 84 -0.027 6.122 -8.006 667 HB3 ARG 84 HB1 ARG 84 -1.168 5.327 -6.939 668 HG2 ARG 84 HG2 ARG 84 -0.860 4.966 -9.901 669 HG3 ARG 84 HG1 ARG 84 -0.489 3.796 -8.647 670 HD2 ARG 84 HD2 ARG 84 -2.948 3.846 -8.066 671 HD3 ARG 84 HD1 ARG 84 -3.199 4.777 -9.531 672 HE ARG 84 HE ARG 84 -1.792 2.234 -9.759 673 HH11 ARG 84 HH11 ARG 84 -4.647 4.131 -10.675 674 HH12 ARG 84 HH12 ARG 84 -5.383 2.885 -11.553 675 HH21 ARG 84 HH21 ARG 84 -2.755 0.541 -11.012 676 HH22 ARG 84 HH22 ARG 84 -4.256 0.753 -11.751 677 H LYS 85 HN LYS 85 -3.748 8.596 -7.665 678 HA LYS 85 HA LYS 85 -4.661 7.823 -5.089 679 HB2 LYS 85 HB2 LYS 85 -4.604 10.125 -5.714 680 HB3 LYS 85 HB1 LYS 85 -5.567 9.842 -7.157 681 HG2 LYS 85 HG2 LYS 85 -7.478 9.262 -5.634 682 HG3 LYS 85 HG1 LYS 85 -6.446 9.749 -4.287 683 HD2 LYS 85 HD2 LYS 85 -6.318 11.988 -5.068 684 HD3 LYS 85 HD1 LYS 85 -7.074 11.563 -6.602 685 HE2 LYS 85 HE2 LYS 85 -8.413 11.387 -3.905 686 HE3 LYS 85 HE1 LYS 85 -8.624 12.713 -5.049 687 HZ1 LYS 85 HZ1 LYS 85 -9.539 11.171 -6.639 688 HZ2 LYS 85 HZ2 LYS 85 -10.441 11.050 -5.228 689 HZ3 LYS 85 HZ3 LYS 85 -9.294 9.872 -5.632 690 H ASP 86 HN ASP 86 -5.396 7.039 -8.282 691 HA ASP 86 HA ASP 86 -7.993 6.358 -8.356 692 HB2 ASP 86 HB2 ASP 86 -5.702 4.785 -9.485 693 HB3 ASP 86 HB1 ASP 86 -7.376 4.616 -9.972 694 H LEU 87 HN LEU 87 -5.189 4.474 -7.399 695 HA LEU 87 HA LEU 87 -6.648 2.073 -6.815 696 HB2 LEU 87 HB2 LEU 87 -4.335 2.259 -7.838 697 HB3 LEU 87 HB1 LEU 87 -3.779 2.719 -6.236 698 HG LEU 87 HG LEU 87 -4.413 0.571 -5.387 699 HD11 LEU 87 HD11 LEU 87 -6.261 0.042 -6.924 700 HD12 LEU 87 HD12 LEU 87 -5.036 -1.227 -7.004 701 HD13 LEU 87 HD13 LEU 87 -5.130 -0.004 -8.273 702 HD21 LEU 87 HD21 LEU 87 -2.186 0.960 -6.203 703 HD22 LEU 87 HD22 LEU 87 -2.686 0.538 -7.838 704 HD23 LEU 87 HD23 LEU 87 -2.672 -0.698 -6.572 705 H TRP 88 HN TRP 88 -5.592 4.849 -5.172 706 HA TRP 88 HA TRP 88 -5.578 3.834 -2.511 707 HB2 TRP 88 HB2 TRP 88 -4.439 5.876 -3.059 708 HB3 TRP 88 HB1 TRP 88 -5.909 6.580 -3.694 709 HD1 TRP 88 HD1 TRP 88 -4.693 5.250 -0.264 710 HE1 TRP 88 HE1 TRP 88 -5.607 6.818 1.554 711 HE3 TRP 88 HE3 TRP 88 -7.435 8.376 -3.199 712 HZ2 TRP 88 HZ2 TRP 88 -7.279 9.071 1.729 713 HZ3 TRP 88 HZ3 TRP 88 -8.659 10.217 -2.139 714 HH2 TRP 88 HH2 TRP 88 -8.585 10.559 0.280 715 H GLU 89 HN GLU 89 -7.882 5.471 -4.584 716 HA GLU 89 HA GLU 89 -10.169 5.492 -2.946 717 HB2 GLU 89 HB3 GLU 89 -9.789 5.374 -5.929 718 HB3 GLU 89 HB2 GLU 89 -11.363 5.553 -5.185 719 HG2 GLU 89 HG3 GLU 89 -9.122 7.474 -4.667 720 HG3 GLU 89 HG2 GLU 89 -10.201 7.647 -6.044 721 H ARG 90 HN ARG 90 -8.550 2.964 -4.516 722 HA ARG 90 HA ARG 90 -10.827 1.130 -4.489 723 HB2 ARG 90 HB2 ARG 90 -7.956 0.641 -5.328 724 HB3 ARG 90 HB1 ARG 90 -9.292 -0.476 -5.540 725 HG2 ARG 90 HG2 ARG 90 -9.033 2.220 -6.886 726 HG3 ARG 90 HG1 ARG 90 -8.614 0.677 -7.619 727 HD2 ARG 90 HD2 ARG 90 -10.790 1.444 -8.369 728 HD3 ARG 90 HD1 ARG 90 -10.947 -0.037 -7.421 729 HE ARG 90 HE ARG 90 -11.283 2.478 -6.028 730 HH11 ARG 90 HH11 ARG 90 -12.969 -0.118 -7.705 731 HH12 ARG 90 HH12 ARG 90 -14.356 -0.026 -6.723 732 HH21 ARG 90 HH21 ARG 90 -13.135 2.556 -4.635 733 HH22 ARG 90 HH22 ARG 90 -14.478 1.533 -4.970 734 H GLY 91 HN GLY 91 -7.811 1.806 -2.924 735 HA2 GLY 91 HA3 GLY 91 -7.560 -0.600 -1.467 736 HA3 GLY 91 HA2 GLY 91 -6.662 0.878 -1.226 737 H GLN 92 HN GLN 92 -8.589 2.652 -0.481 738 HA GLN 92 HA GLN 92 -9.088 1.561 2.146 739 HB2 GLN 92 HB2 GLN 92 -9.697 3.828 2.824 740 HB3 GLN 92 HB1 GLN 92 -8.116 3.783 2.061 741 HG2 GLN 92 HG2 GLN 92 -8.985 4.757 0.064 742 HG3 GLN 92 HG1 GLN 92 -10.641 4.588 0.638 743 HE21 GLN 92 HE21 GLN 92 -8.070 5.598 2.780 744 HE22 GLN 92 HE22 GLN 92 -8.606 7.230 2.923 745 H ARG 93 HN ARG 93 -11.087 1.842 3.196 746 HA ARG 93 HA ARG 93 -13.339 1.680 1.340 747 HB2 ARG 93 HB2 ARG 93 -14.407 0.138 2.857 748 HB3 ARG 93 HB1 ARG 93 -12.825 -0.490 2.418 749 HG2 ARG 93 HG2 ARG 93 -11.920 0.257 4.524 750 HG3 ARG 93 HG1 ARG 93 -13.481 0.957 4.960 751 HD2 ARG 93 HD2 ARG 93 -12.888 -1.913 4.425 752 HD3 ARG 93 HD1 ARG 93 -13.126 -1.130 6.008 753 HE ARG 93 HE ARG 93 -15.371 -0.727 4.337 754 HH11 ARG 93 HH11 ARG 93 -13.807 -3.300 6.195 755 HH12 ARG 93 HH12 ARG 93 -15.259 -4.089 6.588 756 HH21 ARG 93 HH21 ARG 93 -17.400 -1.843 4.900 757 HH22 ARG 93 HH22 ARG 93 -17.310 -3.227 5.876 758 H GLU 94 HN GLU 94 -15.084 2.929 1.924 759 HA GLU 94 HA GLU 94 -14.616 4.511 4.319 760 HB2 GLU 94 HB3 GLU 94 -16.364 5.187 1.949 761 HB3 GLU 94 HB2 GLU 94 -16.181 6.197 3.374 762 HG2 GLU 94 HG3 GLU 94 -13.782 6.400 2.882 763 HG3 GLU 94 HG2 GLU 94 -14.023 5.464 1.412 764 H ASP 95 HN ASP 95 -16.142 1.847 3.713 765 HA ASP 95 HA ASP 95 -17.826 0.662 4.591 766 HB2 ASP 95 HB2 ASP 95 -17.774 2.959 6.456 767 HB3 ASP 95 HB1 ASP 95 -19.146 1.850 6.573 768 H LEU 96 HN LEU 96 -18.112 2.789 2.595 769 HA LEU 96 HA LEU 96 -20.986 3.253 2.551 770 HB2 LEU 96 HB2 LEU 96 -19.551 5.148 2.063 771 HB3 LEU 96 HB1 LEU 96 -18.692 4.232 0.849 772 HG LEU 96 HG LEU 96 -20.762 4.177 -0.528 773 HD11 LEU 96 HD11 LEU 96 -21.842 6.071 1.542 774 HD12 LEU 96 HD12 LEU 96 -22.384 4.420 1.259 775 HD13 LEU 96 HD13 LEU 96 -22.608 5.647 0.011 776 HD21 LEU 96 HD21 LEU 96 -20.647 6.504 -1.233 777 HD22 LEU 96 HD22 LEU 96 -19.037 5.861 -0.892 778 HD23 LEU 96 HD23 LEU 96 -19.828 6.925 0.270 779 H VAL 97 HN VAL 97 -22.242 2.018 1.267 780 HA VAL 97 HA VAL 97 -21.005 -0.132 -0.143 781 HB VAL 97 HB VAL 97 -23.931 0.638 -0.018 782 HG11 VAL 97 HG11 VAL 97 -22.617 -1.919 -0.959 783 HG12 VAL 97 HG12 VAL 97 -23.436 -0.736 -1.976 784 HG13 VAL 97 HG13 VAL 97 -24.357 -1.673 -0.793 785 HG21 VAL 97 HG21 VAL 97 -23.040 0.071 2.187 786 HG22 VAL 97 HG22 VAL 97 -22.389 -1.436 1.547 787 HG23 VAL 97 HG23 VAL 97 -24.135 -1.193 1.618 788 H ARG 98 HN ARG 98 -20.017 0.386 -1.828 789 HA ARG 98 HA ARG 98 -21.451 1.582 -4.080 790 HB2 ARG 98 HB2 ARG 98 -19.880 3.296 -3.060 791 HB3 ARG 98 HB1 ARG 98 -18.555 2.180 -3.360 792 HG2 ARG 98 HG2 ARG 98 -18.548 3.812 -5.104 793 HG3 ARG 98 HG1 ARG 98 -19.122 2.294 -5.797 794 HD2 ARG 98 HD2 ARG 98 -20.479 4.154 -6.571 795 HD3 ARG 98 HD1 ARG 98 -21.435 3.071 -5.558 796 HE ARG 98 HE ARG 98 -20.201 5.306 -4.215 797 HH11 ARG 98 HH11 ARG 98 -23.154 4.088 -5.758 798 HH12 ARG 98 HH12 ARG 98 -24.186 5.201 -5.005 799 HH21 ARG 98 HH21 ARG 98 -21.641 6.838 -3.156 800 HH22 ARG 98 HH22 ARG 98 -23.296 6.820 -3.497 801 H ASP 99 HN ASP 99 -18.332 0.286 -3.106 802 HA ASP 99 HA ASP 99 -18.466 -1.730 -5.204 803 HB2 ASP 99 HB2 ASP 99 -16.224 -0.894 -3.351 804 HB3 ASP 99 HB1 ASP 99 -16.105 -2.179 -4.542 805 H THR 100 HN THR 100 -17.807 -3.894 -4.510 806 HA THR 100 HA THR 100 -18.123 -4.512 -1.705 807 HB THR 100 HB THR 100 -19.777 -5.925 -3.838 808 HG1 THR 100 HG1 THR 100 -20.195 -3.639 -2.394 809 HG21 THR 100 HG21 THR 100 -19.924 -6.003 -0.810 810 HG22 THR 100 HG22 THR 100 -19.208 -7.254 -1.818 811 HG23 THR 100 HG23 THR 100 -20.938 -6.922 -1.923 812 H VAL 101 HN VAL 101 -15.895 -4.965 -1.889 813 HA VAL 101 HA VAL 101 -15.274 -7.370 -3.403 814 HB VAL 101 HB VAL 101 -13.012 -6.369 -4.038 815 HG11 VAL 101 HG11 VAL 101 -14.758 -6.739 -5.686 816 HG12 VAL 101 HG12 VAL 101 -13.888 -5.243 -6.033 817 HG13 VAL 101 HG13 VAL 101 -15.484 -5.181 -5.288 818 HG21 VAL 101 HG21 VAL 101 -12.896 -3.916 -4.250 819 HG22 VAL 101 HG22 VAL 101 -13.049 -4.412 -2.563 820 HG23 VAL 101 HG23 VAL 101 -14.448 -3.778 -3.423 821 H GLU 102 HN GLU 102 -14.665 -8.821 -2.035 822 HA GLU 102 HA GLU 102 -12.855 -8.048 0.123 823 HB2 GLU 102 HB3 GLU 102 -14.607 -10.505 -0.227 824 HB3 GLU 102 HB2 GLU 102 -13.346 -10.414 0.987 825 HG2 GLU 102 HG3 GLU 102 -15.425 -10.002 2.055 826 HG3 GLU 102 HG2 GLU 102 -14.558 -8.476 1.991 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 -16.110 -12.454 24.262 2 H2 GLY 1 HT2 GLY 1 -16.706 -13.107 22.811 3 H3 GLY 1 HT3 GLY 1 -15.521 -11.920 22.777 4 HA2 GLY 1 HA2 GLY 1 -15.158 -14.609 23.914 5 HA3 GLY 1 HA3 GLY 1 -14.567 -14.074 22.344 6 H HIS 2 HN HIS 2 -12.455 -13.699 22.456 7 HA HIS 2 HA HIS 2 -11.453 -12.094 24.698 8 HB2 HIS 2 HB2 HIS 2 -10.189 -14.636 23.660 9 HB3 HIS 2 HB1 HIS 2 -9.375 -13.498 24.727 10 HD1 HIS 2 HD1 HIS 2 -11.473 -16.449 24.802 11 HD2 HIS 2 HD2 HIS 2 -10.797 -13.178 27.259 12 HE1 HIS 2 HE1 HIS 2 -12.415 -17.063 27.049 13 H MET 3 HN MET 3 -12.042 -11.951 21.658 14 HA MET 3 HA MET 3 -11.359 -10.778 19.886 15 HB2 MET 3 HB2 MET 3 -10.629 -8.982 21.383 16 HB3 MET 3 HB1 MET 3 -9.097 -9.791 21.660 17 HG2 MET 3 HG2 MET 3 -8.556 -9.494 19.258 18 HG3 MET 3 HG1 MET 3 -10.061 -8.603 19.061 19 HE1 MET 3 HE1 MET 3 -8.778 -6.521 18.023 20 HE2 MET 3 HE2 MET 3 -7.268 -7.421 18.154 21 HE3 MET 3 HE3 MET 3 -7.368 -5.775 18.770 22 H LEU 4 HN LEU 4 -8.478 -12.079 21.445 23 HA LEU 4 HA LEU 4 -6.818 -13.468 20.798 24 HB2 LEU 4 HB2 LEU 4 -8.694 -14.224 18.554 25 HB3 LEU 4 HB1 LEU 4 -7.209 -15.073 18.940 26 HG LEU 4 HG LEU 4 -9.661 -14.884 20.697 27 HD11 LEU 4 HD11 LEU 4 -9.872 -17.268 20.268 28 HD12 LEU 4 HD12 LEU 4 -8.476 -17.206 19.194 29 HD13 LEU 4 HD13 LEU 4 -9.955 -16.342 18.770 30 HD21 LEU 4 HD21 LEU 4 -7.649 -14.945 22.055 31 HD22 LEU 4 HD22 LEU 4 -7.034 -16.305 21.122 32 HD23 LEU 4 HD23 LEU 4 -8.462 -16.509 22.131 33 H ARG 5 HN ARG 5 -7.142 -10.767 19.802 34 HA ARG 5 HA ARG 5 -6.161 -9.218 18.473 35 HB2 ARG 5 HB2 ARG 5 -4.207 -11.462 17.974 36 HB3 ARG 5 HB1 ARG 5 -3.973 -9.821 17.403 37 HG2 ARG 5 HG2 ARG 5 -3.854 -9.002 19.658 38 HG3 ARG 5 HG1 ARG 5 -4.265 -10.600 20.290 39 HD2 ARG 5 HD2 ARG 5 -1.836 -9.995 18.617 40 HD3 ARG 5 HD1 ARG 5 -1.832 -10.099 20.381 41 HE ARG 5 HE ARG 5 -2.825 -12.429 19.865 42 HH11 ARG 5 HH11 ARG 5 -0.270 -10.868 17.977 43 HH12 ARG 5 HH12 ARG 5 0.543 -12.314 17.608 44 HH21 ARG 5 HH21 ARG 5 -1.672 -14.449 19.358 45 HH22 ARG 5 HH22 ARG 5 -0.276 -14.358 18.387 46 H THR 6 HN THR 6 -5.358 -8.815 16.138 47 HA THR 6 HA THR 6 -7.235 -10.072 14.361 48 HB THR 6 HB THR 6 -5.178 -7.912 13.812 49 HG1 THR 6 HG1 THR 6 -7.670 -7.908 15.075 50 HG21 THR 6 HG21 THR 6 -7.754 -8.649 12.391 51 HG22 THR 6 HG22 THR 6 -6.132 -9.005 11.802 52 HG23 THR 6 HG23 THR 6 -6.672 -7.332 11.943 53 H ALA 7 HN ALA 7 -6.546 -12.060 13.790 54 HA ALA 7 HA ALA 7 -3.709 -12.451 13.148 55 HB1 ALA 7 HB1 ALA 7 -4.564 -13.846 14.964 56 HB2 ALA 7 HB2 ALA 7 -4.093 -14.826 13.575 57 HB3 ALA 7 HB3 ALA 7 -5.797 -14.501 13.888 58 H GLY 8 HN GLY 8 -3.510 -14.420 11.513 59 HA2 GLY 8 HA3 GLY 8 -4.278 -15.490 9.567 60 HA3 GLY 8 HA2 GLY 8 -5.585 -14.319 9.459 61 H ARG 9 HN ARG 9 -3.323 -12.321 10.071 62 HA ARG 9 HA ARG 9 -2.148 -10.755 8.928 63 HB2 ARG 9 HB2 ARG 9 -0.599 -12.635 8.560 64 HB3 ARG 9 HB1 ARG 9 -1.469 -13.041 7.090 65 HG2 ARG 9 HG2 ARG 9 -0.917 -10.622 6.385 66 HG3 ARG 9 HG1 ARG 9 0.305 -10.720 7.656 67 HD2 ARG 9 HD2 ARG 9 -0.063 -12.597 5.384 68 HD3 ARG 9 HD1 ARG 9 1.184 -11.359 5.483 69 HE ARG 9 HE ARG 9 2.101 -12.587 7.406 70 HH11 ARG 9 HH11 ARG 9 -0.141 -14.428 5.347 71 HH12 ARG 9 HH12 ARG 9 0.635 -15.906 5.578 72 HH21 ARG 9 HH21 ARG 9 3.147 -14.642 7.746 73 HH22 ARG 9 HH22 ARG 9 2.525 -16.053 7.033 74 H ASP 10 HN ASP 10 -3.829 -9.528 8.309 75 HA ASP 10 HA ASP 10 -5.336 -10.226 5.958 76 HB2 ASP 10 HB2 ASP 10 -6.520 -9.285 7.876 77 HB3 ASP 10 HB1 ASP 10 -5.537 -7.839 7.806 78 H GLY 11 HN GLY 11 -2.683 -8.174 6.607 79 HA2 GLY 11 HA3 GLY 11 -3.175 -6.657 4.153 80 HA3 GLY 11 HA2 GLY 11 -2.026 -6.234 5.404 81 H LEU 12 HN LEU 12 -2.520 -9.114 3.357 82 HA LEU 12 HA LEU 12 0.059 -8.509 2.134 83 HB2 LEU 12 HB2 LEU 12 0.601 -10.124 3.872 84 HB3 LEU 12 HB1 LEU 12 -0.581 -11.249 3.243 85 HG LEU 12 HG LEU 12 0.747 -11.377 1.130 86 HD11 LEU 12 HD11 LEU 12 2.781 -9.808 2.696 87 HD12 LEU 12 HD12 LEU 12 1.914 -9.274 1.254 88 HD13 LEU 12 HD13 LEU 12 3.058 -10.610 1.151 89 HD21 LEU 12 HD21 LEU 12 2.219 -12.147 3.648 90 HD22 LEU 12 HD22 LEU 12 2.495 -12.816 2.038 91 HD23 LEU 12 HD23 LEU 12 0.957 -13.089 2.856 92 H CYS 13 HN CYS 13 -2.545 -10.948 1.999 93 HA CYS 13 HA CYS 13 -2.277 -11.603 -0.678 94 HB2 CYS 13 HB2 CYS 13 -3.554 -12.911 0.929 95 HB3 CYS 13 HB1 CYS 13 -4.731 -11.626 1.089 96 HG CYS 13 HG CYS 13 -6.303 -12.529 -0.707 97 H ARG 14 HN ARG 14 -4.203 -9.070 0.804 98 HA ARG 14 HA ARG 14 -5.355 -8.086 -1.635 99 HB2 ARG 14 HB2 ARG 14 -6.336 -7.740 0.614 100 HB3 ARG 14 HB1 ARG 14 -4.970 -6.719 1.033 101 HG2 ARG 14 HG2 ARG 14 -5.660 -5.206 -0.833 102 HG3 ARG 14 HG1 ARG 14 -7.117 -6.187 -1.001 103 HD2 ARG 14 HD2 ARG 14 -6.231 -4.681 1.453 104 HD3 ARG 14 HD1 ARG 14 -7.556 -4.241 0.386 105 HE ARG 14 HE ARG 14 -8.703 -6.236 1.109 106 HH11 ARG 14 HH11 ARG 14 -6.052 -5.047 3.199 107 HH12 ARG 14 HH12 ARG 14 -6.620 -5.947 4.553 108 HH21 ARG 14 HH21 ARG 14 -9.400 -7.394 3.099 109 HH22 ARG 14 HH22 ARG 14 -8.445 -7.239 4.509 110 H LEU 15 HN LEU 15 -2.474 -7.484 0.215 111 HA LEU 15 HA LEU 15 -1.842 -4.926 -0.760 112 HB2 LEU 15 HB2 LEU 15 -1.072 -5.813 1.381 113 HB3 LEU 15 HB1 LEU 15 -0.163 -7.050 0.549 114 HG LEU 15 HG LEU 15 1.348 -5.357 -0.363 115 HD11 LEU 15 HD11 LEU 15 -0.280 -3.439 1.270 116 HD12 LEU 15 HD12 LEU 15 -0.240 -3.502 -0.495 117 HD13 LEU 15 HD13 LEU 15 1.208 -3.057 0.411 118 HD21 LEU 15 HD21 LEU 15 0.933 -5.150 2.609 119 HD22 LEU 15 HD22 LEU 15 2.401 -4.709 1.736 120 HD23 LEU 15 HD23 LEU 15 1.868 -6.390 1.773 121 H SER 16 HN SER 16 -0.816 -8.227 -1.632 122 HA SER 16 HA SER 16 1.091 -7.477 -3.517 123 HB2 SER 16 HB2 SER 16 0.664 -9.853 -4.356 124 HB3 SER 16 HB1 SER 16 1.143 -9.690 -2.664 125 HG SER 16 HG SER 16 -0.848 -11.011 -3.419 126 H THR 17 HN THR 17 -2.334 -8.270 -3.841 127 HA THR 17 HA THR 17 -2.618 -8.165 -6.580 128 HB THR 17 HB THR 17 -4.648 -7.291 -4.510 129 HG1 THR 17 HG1 THR 17 -3.496 -9.661 -5.185 130 HG21 THR 17 HG21 THR 17 -6.308 -8.023 -6.162 131 HG22 THR 17 HG22 THR 17 -5.023 -8.448 -7.287 132 HG23 THR 17 HG23 THR 17 -5.292 -6.758 -6.854 133 H TYR 18 HN TYR 18 -2.886 -5.491 -4.254 134 HA TYR 18 HA TYR 18 -3.506 -3.554 -6.230 135 HB2 TYR 18 HB2 TYR 18 -2.733 -3.375 -3.350 136 HB3 TYR 18 HB1 TYR 18 -2.812 -1.922 -4.336 137 HD1 TYR 18 HD2 TYR 18 -4.780 -4.637 -2.836 138 HD2 TYR 18 HD1 TYR 18 -4.878 -1.071 -5.094 139 HE1 TYR 18 HE2 TYR 18 -7.203 -4.483 -2.462 140 HE2 TYR 18 HE1 TYR 18 -7.299 -0.890 -4.747 141 HH TYR 18 HH TYR 18 -8.954 -2.758 -2.453 142 H LEU 19 HN LEU 19 -0.479 -4.524 -4.724 143 HA LEU 19 HA LEU 19 0.976 -2.386 -5.885 144 HB2 LEU 19 HB2 LEU 19 1.859 -4.943 -4.585 145 HB3 LEU 19 HB1 LEU 19 2.998 -3.779 -5.235 146 HG LEU 19 HG LEU 19 0.984 -3.097 -3.071 147 HD11 LEU 19 HD11 LEU 19 3.895 -3.831 -2.825 148 HD12 LEU 19 HD12 LEU 19 2.510 -4.771 -2.248 149 HD13 LEU 19 HD13 LEU 19 2.861 -3.205 -1.537 150 HD21 LEU 19 HD21 LEU 19 1.797 -1.201 -4.426 151 HD22 LEU 19 HD22 LEU 19 3.455 -1.662 -4.051 152 HD23 LEU 19 HD23 LEU 19 2.375 -1.131 -2.767 153 H GLU 20 HN GLU 20 0.096 -5.524 -7.053 154 HA GLU 20 HA GLU 20 1.975 -5.662 -9.192 155 HB2 GLU 20 HB3 GLU 20 -0.785 -6.827 -8.997 156 HB3 GLU 20 HB2 GLU 20 0.376 -7.210 -10.254 157 HG2 GLU 20 HG3 GLU 20 1.867 -8.144 -8.560 158 HG3 GLU 20 HG2 GLU 20 0.657 -7.778 -7.322 159 H GLU 21 HN GLU 21 -0.832 -3.799 -8.690 160 HA GLU 21 HA GLU 21 -1.476 -3.365 -11.455 161 HB2 GLU 21 HB3 GLU 21 -2.373 -1.943 -8.951 162 HB3 GLU 21 HB2 GLU 21 -3.083 -1.721 -10.546 163 HG2 GLU 21 HG3 GLU 21 -3.050 -4.317 -9.018 164 HG3 GLU 21 HG2 GLU 21 -4.393 -3.177 -9.032 165 H LEU 22 HN LEU 22 1.038 -2.381 -9.601 166 HA LEU 22 HA LEU 22 1.273 0.232 -10.905 167 HB2 LEU 22 HB2 LEU 22 2.779 -0.932 -8.563 168 HB3 LEU 22 HB1 LEU 22 3.087 0.636 -9.267 169 HG LEU 22 HG LEU 22 0.582 -0.193 -7.799 170 HD11 LEU 22 HD11 LEU 22 2.858 1.637 -7.059 171 HD12 LEU 22 HD12 LEU 22 2.486 0.074 -6.327 172 HD13 LEU 22 HD13 LEU 22 1.374 1.429 -6.134 173 HD21 LEU 22 HD21 LEU 22 0.106 1.436 -9.566 174 HD22 LEU 22 HD22 LEU 22 1.376 2.489 -8.940 175 HD23 LEU 22 HD23 LEU 22 -0.059 2.157 -7.967 176 H GLU 23 HN GLU 23 2.888 0.477 -12.382 177 HA GLU 23 HA GLU 23 4.430 -1.872 -13.012 178 HB2 GLU 23 HB3 GLU 23 5.224 -0.685 -14.977 179 HB3 GLU 23 HB2 GLU 23 3.495 -0.451 -14.774 180 HG2 GLU 23 HG3 GLU 23 3.750 1.744 -14.097 181 HG3 GLU 23 HG2 GLU 23 5.504 1.565 -13.923 182 H ALA 24 HN ALA 24 6.907 -1.211 -13.684 183 HA ALA 24 HA ALA 24 8.151 -1.227 -11.195 184 HB1 ALA 24 HB1 ALA 24 10.247 -1.217 -12.360 185 HB2 ALA 24 HB2 ALA 24 9.470 -0.612 -13.817 186 HB3 ALA 24 HB3 ALA 24 9.097 -2.235 -13.226 187 H VAL 25 HN VAL 25 7.785 1.489 -13.431 188 HA VAL 25 HA VAL 25 9.358 3.203 -11.792 189 HB VAL 25 HB VAL 25 9.071 3.718 -14.188 190 HG11 VAL 25 HG11 VAL 25 7.012 4.717 -15.014 191 HG12 VAL 25 HG12 VAL 25 6.252 4.409 -13.452 192 HG13 VAL 25 HG13 VAL 25 6.746 3.055 -14.476 193 HG21 VAL 25 HG21 VAL 25 8.729 6.091 -14.002 194 HG22 VAL 25 HG22 VAL 25 9.648 5.502 -12.598 195 HG23 VAL 25 HG23 VAL 25 7.912 5.841 -12.462 196 H GLU 26 HN GLU 26 5.991 2.389 -11.850 197 HA GLU 26 HA GLU 26 5.171 4.556 -10.185 198 HB2 GLU 26 HB3 GLU 26 3.834 1.911 -10.750 199 HB3 GLU 26 HB2 GLU 26 3.072 3.305 -9.989 200 HG2 GLU 26 HG3 GLU 26 4.240 3.272 -12.742 201 HG3 GLU 26 HG2 GLU 26 2.515 3.063 -12.413 202 H LEU 27 HN LEU 27 6.058 1.201 -9.713 203 HA LEU 27 HA LEU 27 5.811 1.093 -6.940 204 HB2 LEU 27 HB2 LEU 27 7.765 -0.306 -8.772 205 HB3 LEU 27 HB1 LEU 27 7.551 -0.696 -7.080 206 HG LEU 27 HG LEU 27 5.370 -0.957 -9.157 207 HD11 LEU 27 HD11 LEU 27 7.171 -3.058 -7.957 208 HD12 LEU 27 HD12 LEU 27 7.203 -2.493 -9.630 209 HD13 LEU 27 HD13 LEU 27 5.795 -3.355 -9.018 210 HD21 LEU 27 HD21 LEU 27 5.597 -1.948 -6.314 211 HD22 LEU 27 HD22 LEU 27 4.277 -2.304 -7.422 212 HD23 LEU 27 HD23 LEU 27 4.546 -0.648 -6.874 213 H LYS 28 HN LYS 28 8.499 1.993 -9.044 214 HA LYS 28 HA LYS 28 10.544 2.571 -7.292 215 HB2 LYS 28 HB2 LYS 28 10.762 2.619 -9.728 216 HB3 LYS 28 HB1 LYS 28 9.750 4.043 -9.804 217 HG2 LYS 28 HG2 LYS 28 11.483 5.342 -8.653 218 HG3 LYS 28 HG1 LYS 28 12.493 3.896 -8.557 219 HD2 LYS 28 HD2 LYS 28 12.538 3.751 -10.999 220 HD3 LYS 28 HD1 LYS 28 11.512 5.176 -11.109 221 HE2 LYS 28 HE2 LYS 28 14.260 5.110 -9.869 222 HE3 LYS 28 HE1 LYS 28 13.927 5.635 -11.511 223 HZ1 LYS 28 HZ1 LYS 28 12.970 6.938 -9.007 224 HZ2 LYS 28 HZ2 LYS 28 12.507 7.400 -10.567 225 HZ3 LYS 28 HZ3 LYS 28 14.102 7.539 -10.100 226 H LYS 29 HN LYS 29 7.871 4.654 -8.237 227 HA LYS 29 HA LYS 29 8.809 6.894 -6.767 228 HB2 LYS 29 HB2 LYS 29 6.098 6.302 -7.893 229 HB3 LYS 29 HB1 LYS 29 6.579 7.859 -7.233 230 HG2 LYS 29 HG2 LYS 29 8.347 8.013 -9.012 231 HG3 LYS 29 HG1 LYS 29 7.748 6.494 -9.650 232 HD2 LYS 29 HD2 LYS 29 6.050 8.964 -9.362 233 HD3 LYS 29 HD1 LYS 29 6.892 8.492 -10.842 234 HE2 LYS 29 HE2 LYS 29 5.662 6.406 -10.892 235 HE3 LYS 29 HE1 LYS 29 4.827 6.827 -9.397 236 HZ1 LYS 29 HZ1 LYS 29 3.774 8.663 -10.563 237 HZ2 LYS 29 HZ2 LYS 29 3.511 7.188 -11.361 238 HZ3 LYS 29 HZ3 LYS 29 4.622 8.281 -11.976 239 H PHE 30 HN PHE 30 6.758 4.179 -5.926 240 HA PHE 30 HA PHE 30 5.834 5.517 -3.545 241 HB2 PHE 30 HB2 PHE 30 4.150 3.995 -3.566 242 HB3 PHE 30 HB1 PHE 30 4.819 3.393 -5.063 243 HD1 PHE 30 HD2 PHE 30 6.168 1.385 -5.050 244 HD2 PHE 30 HD1 PHE 30 4.280 2.719 -1.489 245 HE1 PHE 30 HE2 PHE 30 6.472 -0.847 -4.043 246 HE2 PHE 30 HE1 PHE 30 4.562 0.530 -0.501 247 HZ PHE 30 HZ PHE 30 5.664 -1.275 -1.760 248 H LYS 31 HN LYS 31 8.203 3.083 -4.353 249 HA LYS 31 HA LYS 31 8.968 2.580 -1.636 250 HB2 LYS 31 HB2 LYS 31 10.947 1.412 -2.627 251 HB3 LYS 31 HB1 LYS 31 9.413 0.843 -3.252 252 HG2 LYS 31 HG2 LYS 31 9.762 2.273 -5.251 253 HG3 LYS 31 HG1 LYS 31 11.350 2.686 -4.616 254 HD2 LYS 31 HD2 LYS 31 10.572 -0.177 -5.002 255 HD3 LYS 31 HD1 LYS 31 11.127 0.769 -6.374 256 HE2 LYS 31 HE2 LYS 31 12.684 0.460 -3.817 257 HE3 LYS 31 HE1 LYS 31 12.888 -0.592 -5.217 258 HZ1 LYS 31 HZ1 LYS 31 14.527 1.125 -5.248 259 HZ2 LYS 31 HZ2 LYS 31 13.399 2.346 -5.119 260 HZ3 LYS 31 HZ3 LYS 31 13.470 1.410 -6.522 261 H LEU 32 HN LEU 32 10.012 4.967 -3.973 262 HA LEU 32 HA LEU 32 12.200 5.691 -2.283 263 HB2 LEU 32 HB2 LEU 32 12.539 7.615 -3.715 264 HB3 LEU 32 HB1 LEU 32 12.331 6.184 -4.684 265 HG LEU 32 HG LEU 32 9.875 7.037 -4.955 266 HD11 LEU 32 HD11 LEU 32 9.657 9.458 -4.945 267 HD12 LEU 32 HD12 LEU 32 11.244 9.605 -4.195 268 HD13 LEU 32 HD13 LEU 32 9.924 8.812 -3.327 269 HD21 LEU 32 HD21 LEU 32 11.465 6.866 -6.757 270 HD22 LEU 32 HD22 LEU 32 12.210 8.385 -6.260 271 HD23 LEU 32 HD23 LEU 32 10.561 8.378 -6.893 272 H TYR 33 HN TYR 33 8.875 6.343 -2.368 273 HA TYR 33 HA TYR 33 8.981 8.794 -0.955 274 HB2 TYR 33 HB2 TYR 33 7.051 8.148 -2.356 275 HB3 TYR 33 HB1 TYR 33 6.691 6.838 -1.243 276 HD1 TYR 33 HD1 TYR 33 6.784 10.492 -1.623 277 HD2 TYR 33 HD2 TYR 33 5.484 7.247 0.799 278 HE1 TYR 33 HE1 TYR 33 5.380 12.020 -0.332 279 HE2 TYR 33 HE2 TYR 33 4.070 8.772 2.101 280 HH TYR 33 HH TYR 33 3.998 11.202 2.618 281 H LEU 34 HN LEU 34 7.709 5.637 0.084 282 HA LEU 34 HA LEU 34 7.911 6.401 2.845 283 HB2 LEU 34 HB2 LEU 34 7.016 4.120 3.277 284 HB3 LEU 34 HB1 LEU 34 6.024 5.146 2.274 285 HG LEU 34 HG LEU 34 6.927 3.863 0.271 286 HD11 LEU 34 HD11 LEU 34 8.870 2.815 1.294 287 HD12 LEU 34 HD12 LEU 34 7.756 1.604 0.658 288 HD13 LEU 34 HD13 LEU 34 7.822 1.917 2.392 289 HD21 LEU 34 HD21 LEU 34 5.318 2.367 2.309 290 HD22 LEU 34 HD22 LEU 34 5.349 2.072 0.568 291 HD23 LEU 34 HD23 LEU 34 4.702 3.591 1.200 292 H GLY 35 HN GLY 35 10.076 4.957 0.707 293 HA2 GLY 35 HA3 GLY 35 11.322 3.471 2.797 294 HA3 GLY 35 HA2 GLY 35 11.877 3.530 1.125 295 H THR 36 HN THR 36 12.015 6.430 0.981 296 HA THR 36 HA THR 36 14.576 6.657 2.366 297 HB THR 36 HB THR 36 14.973 8.721 1.113 298 HG1 THR 36 HG1 THR 36 12.527 8.508 -0.269 299 HG21 THR 36 HG21 THR 36 15.409 6.625 -0.092 300 HG22 THR 36 HG22 THR 36 14.825 7.865 -1.206 301 HG23 THR 36 HG23 THR 36 13.740 6.599 -0.657 302 H ALA 37 HN ALA 37 11.393 7.554 2.847 303 HA ALA 37 HA ALA 37 11.561 10.063 4.049 304 HB1 ALA 37 HB1 ALA 37 9.351 9.681 4.844 305 HB2 ALA 37 HB2 ALA 37 9.509 7.944 4.581 306 HB3 ALA 37 HB3 ALA 37 9.487 9.040 3.204 307 H THR 38 HN THR 38 11.940 10.771 6.014 308 HA THR 38 HA THR 38 12.978 8.911 7.949 309 HB THR 38 HB THR 38 13.392 11.177 9.160 310 HG1 THR 38 HG1 THR 38 13.467 12.232 6.582 311 HG21 THR 38 HG21 THR 38 15.168 9.776 8.229 312 HG22 THR 38 HG22 THR 38 15.485 11.473 7.867 313 HG23 THR 38 HG23 THR 38 14.835 10.405 6.619 314 H GLU 39 HN GLU 39 9.991 10.155 7.243 315 HA GLU 39 HA GLU 39 9.040 10.788 9.853 316 HB2 GLU 39 HB3 GLU 39 6.797 10.760 8.869 317 HB3 GLU 39 HB2 GLU 39 7.934 11.680 7.893 318 HG2 GLU 39 HG3 GLU 39 8.106 9.852 6.322 319 HG3 GLU 39 HG2 GLU 39 7.030 8.870 7.314 320 H LEU 40 HN LEU 40 9.883 7.890 8.561 321 HA LEU 40 HA LEU 40 7.963 6.278 10.050 322 HB2 LEU 40 HB2 LEU 40 10.385 5.524 8.447 323 HB3 LEU 40 HB1 LEU 40 9.354 4.395 9.290 324 HG LEU 40 HG LEU 40 8.768 4.268 7.037 325 HD11 LEU 40 HD11 LEU 40 6.713 6.033 8.324 326 HD12 LEU 40 HD12 LEU 40 6.802 4.270 8.384 327 HD13 LEU 40 HD13 LEU 40 6.489 5.098 6.848 328 HD21 LEU 40 HD21 LEU 40 8.163 6.188 5.615 329 HD22 LEU 40 HD22 LEU 40 9.837 6.227 6.167 330 HD23 LEU 40 HD23 LEU 40 8.636 7.269 6.927 331 H GLY 41 HN GLY 41 10.623 7.977 10.641 332 HA2 GLY 41 HA3 GLY 41 11.288 7.940 13.071 333 HA3 GLY 41 HA2 GLY 41 11.613 6.234 12.783 334 H GLU 42 HN GLU 42 12.835 5.987 10.629 335 HA GLU 42 HA GLU 42 15.058 7.901 10.336 336 HB2 GLU 42 HB3 GLU 42 15.438 4.911 10.682 337 HB3 GLU 42 HB2 GLU 42 16.695 6.112 10.475 338 HG2 GLU 42 HG3 GLU 42 16.282 6.995 12.661 339 HG3 GLU 42 HG2 GLU 42 14.875 5.946 12.849 340 H GLY 43 HN GLY 43 13.687 4.801 9.486 341 HA2 GLY 43 HA3 GLY 43 12.905 5.021 6.958 342 HA3 GLY 43 HA2 GLY 43 14.649 4.716 6.821 343 H LYS 44 HN LYS 44 11.721 3.155 7.066 344 HA LYS 44 HA LYS 44 12.444 1.254 9.035 345 HB2 LYS 44 HB2 LYS 44 10.196 2.380 8.484 346 HB3 LYS 44 HB1 LYS 44 10.109 1.201 7.198 347 HG2 LYS 44 HG2 LYS 44 8.899 0.420 9.007 348 HG3 LYS 44 HG1 LYS 44 10.374 -0.566 8.816 349 HD2 LYS 44 HD2 LYS 44 9.931 -0.096 11.224 350 HD3 LYS 44 HD1 LYS 44 11.425 0.674 10.697 351 HE2 LYS 44 HE2 LYS 44 10.216 2.798 10.419 352 HE3 LYS 44 HE1 LYS 44 8.728 2.010 10.938 353 HZ1 LYS 44 HZ1 LYS 44 9.789 1.651 13.123 354 HZ2 LYS 44 HZ2 LYS 44 9.739 3.280 12.696 355 HZ3 LYS 44 HZ3 LYS 44 11.177 2.435 12.577 356 H ILE 45 HN ILE 45 13.354 1.552 5.862 357 HA ILE 45 HA ILE 45 13.110 -1.309 5.314 358 HB ILE 45 HB ILE 45 13.635 1.003 3.411 359 HG12 ILE 45 HG12 ILE 45 11.312 0.955 4.180 360 HG13 ILE 45 HG11 ILE 45 11.410 0.505 2.484 361 HG21 ILE 45 HG21 ILE 45 14.790 -1.032 2.702 362 HG22 ILE 45 HG22 ILE 45 13.502 -0.578 1.598 363 HG23 ILE 45 HG23 ILE 45 13.257 -1.908 2.729 364 HD11 ILE 45 HD11 ILE 45 9.812 -0.888 3.636 365 HD12 ILE 45 HD12 ILE 45 11.023 -1.356 4.823 366 HD13 ILE 45 HD13 ILE 45 11.196 -1.866 3.140 367 HA PRO 46 HA PRO 46 17.486 -1.478 5.982 368 HB2 PRO 46 HB2 PRO 46 17.934 -3.943 4.918 369 HB3 PRO 46 HB1 PRO 46 17.255 -3.691 6.525 370 HG2 PRO 46 HG2 PRO 46 15.890 -4.384 3.975 371 HG3 PRO 46 HG1 PRO 46 15.545 -4.951 5.619 372 HD2 PRO 46 HD2 PRO 46 14.100 -3.025 4.334 373 HD3 PRO 46 HD1 PRO 46 14.255 -3.124 6.097 374 H TRP 47 HN TRP 47 18.441 -0.047 4.717 375 HA TRP 47 HA TRP 47 19.520 0.949 3.147 376 HB2 TRP 47 HB2 TRP 47 20.649 -1.819 2.963 377 HB3 TRP 47 HB1 TRP 47 21.374 -0.352 2.293 378 HD1 TRP 47 HD1 TRP 47 22.509 1.335 3.941 379 HE1 TRP 47 HE1 TRP 47 23.141 1.234 6.431 380 HE3 TRP 47 HE3 TRP 47 19.907 -2.848 5.263 381 HZ2 TRP 47 HZ2 TRP 47 22.607 -0.414 8.657 382 HZ3 TRP 47 HZ3 TRP 47 20.020 -3.614 7.595 383 HH2 TRP 47 HH2 TRP 47 21.347 -2.414 9.251 384 H GLY 48 HN GLY 48 18.997 -2.044 1.447 385 HA2 GLY 48 HA3 GLY 48 17.851 -0.536 -0.793 386 HA3 GLY 48 HA2 GLY 48 19.373 -1.353 -1.103 387 H SER 49 HN SER 49 17.084 -2.752 1.080 388 HA SER 49 HA SER 49 17.089 -5.171 -0.318 389 HB2 SER 49 HB2 SER 49 16.748 -4.915 2.133 390 HB3 SER 49 HB1 SER 49 15.140 -4.268 1.815 391 HG SER 49 HG SER 49 16.072 -6.849 1.085 392 H MET 50 HN MET 50 14.980 -2.389 -0.647 393 HA MET 50 HA MET 50 12.879 -3.887 -1.974 394 HB2 MET 50 HB2 MET 50 13.248 -0.909 -1.681 395 HB3 MET 50 HB1 MET 50 11.902 -1.645 -2.520 396 HG2 MET 50 HG2 MET 50 11.243 -2.746 -0.421 397 HG3 MET 50 HG1 MET 50 12.549 -1.908 0.406 398 HE1 MET 50 HE1 MET 50 12.623 0.863 0.632 399 HE2 MET 50 HE2 MET 50 11.389 1.869 -0.117 400 HE3 MET 50 HE3 MET 50 12.484 0.935 -1.123 401 H GLU 51 HN GLU 51 15.845 -2.785 -2.942 402 HA GLU 51 HA GLU 51 15.297 -1.671 -5.456 403 HB2 GLU 51 HB3 GLU 51 17.694 -3.051 -4.364 404 HB3 GLU 51 HB2 GLU 51 17.666 -2.357 -5.984 405 HG2 GLU 51 HG3 GLU 51 17.213 -0.873 -3.399 406 HG3 GLU 51 HG2 GLU 51 18.679 -0.825 -4.379 407 H LYS 52 HN LYS 52 16.004 -5.008 -4.577 408 HA LYS 52 HA LYS 52 15.524 -5.755 -7.372 409 HB2 LYS 52 HB2 LYS 52 16.681 -7.393 -5.116 410 HB3 LYS 52 HB1 LYS 52 16.577 -7.891 -6.794 411 HG2 LYS 52 HG2 LYS 52 18.229 -5.621 -5.692 412 HG3 LYS 52 HG1 LYS 52 18.831 -7.171 -6.262 413 HD2 LYS 52 HD2 LYS 52 17.423 -5.094 -7.960 414 HD3 LYS 52 HD1 LYS 52 19.158 -5.350 -7.909 415 HE2 LYS 52 HE2 LYS 52 18.811 -7.654 -8.748 416 HE3 LYS 52 HE1 LYS 52 17.080 -7.335 -8.836 417 HZ1 LYS 52 HZ1 LYS 52 18.119 -7.065 -10.969 418 HZ2 LYS 52 HZ2 LYS 52 19.183 -5.900 -10.370 419 HZ3 LYS 52 HZ3 LYS 52 17.527 -5.587 -10.437 420 H ALA 53 HN ALA 53 13.508 -5.057 -5.317 421 HA ALA 53 HA ALA 53 12.090 -7.591 -5.049 422 HB1 ALA 53 HB1 ALA 53 11.613 -4.920 -3.733 423 HB2 ALA 53 HB2 ALA 53 12.445 -6.287 -3.005 424 HB3 ALA 53 HB3 ALA 53 10.725 -6.406 -3.388 425 H GLY 54 HN GLY 54 10.263 -7.937 -6.194 426 HA2 GLY 54 HA3 GLY 54 9.283 -5.804 -7.916 427 HA3 GLY 54 HA2 GLY 54 8.853 -7.510 -8.019 428 HA PRO 55 HA PRO 55 5.441 -4.960 -5.997 429 HB2 PRO 55 HB2 PRO 55 3.431 -6.458 -7.204 430 HB3 PRO 55 HB1 PRO 55 4.046 -4.913 -7.790 431 HG2 PRO 55 HG2 PRO 55 4.703 -7.676 -8.679 432 HG3 PRO 55 HG1 PRO 55 4.565 -6.193 -9.637 433 HD2 PRO 55 HD2 PRO 55 6.949 -7.269 -8.981 434 HD3 PRO 55 HD1 PRO 55 6.740 -5.519 -9.109 435 H LEU 56 HN LEU 56 5.692 -8.450 -6.466 436 HA LEU 56 HA LEU 56 3.927 -9.127 -4.270 437 HB2 LEU 56 HB2 LEU 56 5.997 -10.837 -5.664 438 HB3 LEU 56 HB1 LEU 56 4.725 -11.409 -4.612 439 HG LEU 56 HG LEU 56 4.301 -10.120 -7.312 440 HD11 LEU 56 HD11 LEU 56 4.054 -12.997 -6.449 441 HD12 LEU 56 HD12 LEU 56 5.298 -12.326 -7.502 442 HD13 LEU 56 HD13 LEU 56 3.617 -12.350 -8.029 443 HD21 LEU 56 HD21 LEU 56 2.343 -11.396 -5.401 444 HD22 LEU 56 HD22 LEU 56 1.969 -10.841 -7.034 445 HD23 LEU 56 HD23 LEU 56 2.444 -9.679 -5.797 446 H GLU 57 HN GLU 57 7.345 -8.848 -4.765 447 HA GLU 57 HA GLU 57 8.108 -9.816 -2.213 448 HB2 GLU 57 HB3 GLU 57 9.587 -8.069 -4.160 449 HB3 GLU 57 HB2 GLU 57 10.303 -8.890 -2.776 450 HG2 GLU 57 HG3 GLU 57 9.773 -11.032 -3.743 451 HG3 GLU 57 HG2 GLU 57 8.957 -10.244 -5.095 452 H MET 58 HN MET 58 7.543 -6.600 -3.559 453 HA MET 58 HA MET 58 8.335 -5.088 -1.334 454 HB2 MET 58 HB2 MET 58 6.254 -4.528 -3.436 455 HB3 MET 58 HB1 MET 58 6.726 -3.326 -2.248 456 HG2 MET 58 HG2 MET 58 9.038 -3.441 -3.088 457 HG3 MET 58 HG1 MET 58 8.538 -4.668 -4.247 458 HE1 MET 58 HE1 MET 58 9.311 -1.637 -6.532 459 HE2 MET 58 HE2 MET 58 9.538 -3.363 -6.271 460 HE3 MET 58 HE3 MET 58 10.166 -2.213 -5.097 461 H ALA 59 HN ALA 59 5.239 -6.557 -2.125 462 HA ALA 59 HA ALA 59 3.750 -5.644 0.034 463 HB1 ALA 59 HB1 ALA 59 2.352 -7.627 -0.317 464 HB2 ALA 59 HB2 ALA 59 3.623 -8.358 -1.294 465 HB3 ALA 59 HB3 ALA 59 2.804 -6.905 -1.862 466 H GLN 60 HN GLN 60 5.931 -8.377 -0.248 467 HA GLN 60 HA GLN 60 5.454 -9.344 2.373 468 HB2 GLN 60 HB2 GLN 60 7.801 -9.938 0.570 469 HB3 GLN 60 HB1 GLN 60 7.257 -10.895 1.947 470 HG2 GLN 60 HG2 GLN 60 5.081 -11.226 0.740 471 HG3 GLN 60 HG1 GLN 60 5.818 -10.435 -0.630 472 HE21 GLN 60 HE21 GLN 60 5.859 -13.246 1.344 473 HE22 GLN 60 HE22 GLN 60 6.751 -14.270 0.289 474 H LEU 61 HN LEU 61 7.852 -7.203 0.961 475 HA LEU 61 HA LEU 61 9.435 -6.980 3.291 476 HB2 LEU 61 HB2 LEU 61 9.228 -5.443 0.770 477 HB3 LEU 61 HB1 LEU 61 9.947 -4.593 2.111 478 HG LEU 61 HG LEU 61 11.648 -6.403 2.302 479 HD11 LEU 61 HD11 LEU 61 10.416 -8.239 1.334 480 HD12 LEU 61 HD12 LEU 61 11.944 -7.984 0.490 481 HD13 LEU 61 HD13 LEU 61 10.431 -7.439 -0.238 482 HD21 LEU 61 HD21 LEU 61 12.910 -5.774 0.313 483 HD22 LEU 61 HD22 LEU 61 12.136 -4.385 1.075 484 HD23 LEU 61 HD23 LEU 61 11.447 -5.085 -0.387 485 H LEU 62 HN LEU 62 6.806 -4.856 2.083 486 HA LEU 62 HA LEU 62 6.830 -3.093 4.173 487 HB2 LEU 62 HB2 LEU 62 4.567 -4.072 2.453 488 HB3 LEU 62 HB1 LEU 62 4.280 -2.978 3.751 489 HG LEU 62 HG LEU 62 5.400 -1.140 2.618 490 HD11 LEU 62 HD11 LEU 62 6.601 -1.367 0.590 491 HD12 LEU 62 HD12 LEU 62 6.368 -3.128 0.639 492 HD13 LEU 62 HD13 LEU 62 7.341 -2.331 1.876 493 HD21 LEU 62 HD21 LEU 62 3.184 -1.697 1.829 494 HD22 LEU 62 HD22 LEU 62 3.883 -2.804 0.652 495 HD23 LEU 62 HD23 LEU 62 4.197 -1.070 0.525 496 H ILE 63 HN ILE 63 5.056 -6.175 3.850 497 HA ILE 63 HA ILE 63 3.700 -6.030 6.303 498 HB ILE 63 HB ILE 63 3.413 -7.615 4.173 499 HG12 ILE 63 HG12 ILE 63 1.840 -7.374 6.027 500 HG13 ILE 63 HG11 ILE 63 1.854 -8.999 5.360 501 HG21 ILE 63 HG21 ILE 63 4.049 -9.938 4.572 502 HG22 ILE 63 HG22 ILE 63 4.924 -9.439 6.016 503 HG23 ILE 63 HG23 ILE 63 5.456 -8.878 4.434 504 HD11 ILE 63 HD11 ILE 63 1.660 -9.079 7.763 505 HD12 ILE 63 HD12 ILE 63 3.112 -8.092 7.945 506 HD13 ILE 63 HD13 ILE 63 3.229 -9.730 7.282 507 H THR 64 HN THR 64 6.914 -7.146 5.559 508 HA THR 64 HA THR 64 7.330 -8.439 8.060 509 HB THR 64 HB THR 64 9.290 -7.569 5.921 510 HG1 THR 64 HG1 THR 64 8.103 -9.143 5.064 511 HG21 THR 64 HG21 THR 64 10.875 -9.142 6.963 512 HG22 THR 64 HG22 THR 64 9.710 -9.473 8.241 513 HG23 THR 64 HG23 THR 64 10.432 -7.869 8.103 514 H HIS 65 HN HIS 65 8.084 -5.214 6.832 515 HA HIS 65 HA HIS 65 9.471 -4.648 9.328 516 HB2 HIS 65 HB2 HIS 65 9.193 -2.909 6.877 517 HB3 HIS 65 HB1 HIS 65 10.135 -2.510 8.311 518 HD1 HIS 65 HD1 HIS 65 12.245 -4.171 8.801 519 HD2 HIS 65 HD2 HIS 65 10.442 -4.438 5.069 520 HE1 HIS 65 HE1 HIS 65 13.835 -5.452 7.360 521 H PHE 66 HN PHE 66 6.842 -3.161 7.476 522 HA PHE 66 HA PHE 66 6.153 -1.416 9.595 523 HB2 PHE 66 HB2 PHE 66 4.637 -2.208 7.096 524 HB3 PHE 66 HB1 PHE 66 4.186 -0.879 8.178 525 HD1 PHE 66 HD2 PHE 66 5.730 1.013 8.439 526 HD2 PHE 66 HD1 PHE 66 6.257 -1.982 5.526 527 HE1 PHE 66 HE2 PHE 66 7.301 2.491 7.218 528 HE2 PHE 66 HE1 PHE 66 7.817 -0.545 4.278 529 HZ PHE 66 HZ PHE 66 8.345 1.682 5.129 530 H GLY 67 HN GLY 67 4.535 -4.276 8.260 531 HA2 GLY 67 HA3 GLY 67 3.903 -5.871 10.122 532 HA3 GLY 67 HA2 GLY 67 3.026 -4.506 10.791 533 HA PRO 68 HA PRO 68 0.587 -7.150 7.689 534 HB2 PRO 68 HB2 PRO 68 -1.571 -7.525 9.408 535 HB3 PRO 68 HB1 PRO 68 -0.286 -8.695 9.103 536 HG2 PRO 68 HG2 PRO 68 -0.622 -6.797 11.376 537 HG3 PRO 68 HG1 PRO 68 0.056 -8.433 11.370 538 HD2 PRO 68 HD2 PRO 68 1.596 -6.211 11.504 539 HD3 PRO 68 HD1 PRO 68 2.154 -7.680 10.694 540 H GLU 69 HN GLU 69 -0.820 -4.836 9.997 541 HA GLU 69 HA GLU 69 -2.631 -3.986 7.877 542 HB2 GLU 69 HB3 GLU 69 -2.503 -3.154 10.768 543 HB3 GLU 69 HB2 GLU 69 -3.732 -2.662 9.614 544 HG2 GLU 69 HG3 GLU 69 -4.364 -5.043 9.351 545 HG3 GLU 69 HG2 GLU 69 -3.224 -5.438 10.640 546 H GLU 70 HN GLU 70 0.293 -3.128 9.268 547 HA GLU 70 HA GLU 70 0.096 -0.292 8.783 548 HB2 GLU 70 HB3 GLU 70 1.555 -1.614 10.499 549 HB3 GLU 70 HB2 GLU 70 2.669 -1.761 9.152 550 HG2 GLU 70 HG3 GLU 70 3.276 0.131 10.496 551 HG3 GLU 70 HG2 GLU 70 2.672 0.702 8.939 552 H ALA 71 HN ALA 71 1.550 -3.095 7.220 553 HA ALA 71 HA ALA 71 2.913 -1.938 5.074 554 HB1 ALA 71 HB1 ALA 71 3.050 -4.266 5.647 555 HB2 ALA 71 HB2 ALA 71 2.498 -4.101 3.974 556 HB3 ALA 71 HB3 ALA 71 1.353 -4.505 5.254 557 H TRP 72 HN TRP 72 -0.422 -3.052 5.310 558 HA TRP 72 HA TRP 72 -1.101 -2.349 2.702 559 HB2 TRP 72 HB2 TRP 72 -2.481 -3.957 3.842 560 HB3 TRP 72 HB1 TRP 72 -2.848 -2.814 5.129 561 HD1 TRP 72 HD1 TRP 72 -5.360 -2.358 4.908 562 HE1 TRP 72 HE1 TRP 72 -6.921 -1.578 2.983 563 HE3 TRP 72 HE3 TRP 72 -2.090 -2.550 0.997 564 HZ2 TRP 72 HZ2 TRP 72 -6.768 -1.098 0.294 565 HZ3 TRP 72 HZ3 TRP 72 -2.892 -1.918 -1.251 566 HH2 TRP 72 HH2 TRP 72 -5.191 -1.208 -1.593 567 H ARG 73 HN ARG 73 -1.389 -0.571 5.714 568 HA ARG 73 HA ARG 73 -2.721 1.621 4.641 569 HB2 ARG 73 HB2 ARG 73 -2.578 1.320 7.048 570 HB3 ARG 73 HB1 ARG 73 -0.830 1.462 6.996 571 HG2 ARG 73 HG2 ARG 73 -1.097 3.800 6.191 572 HG3 ARG 73 HG1 ARG 73 -2.835 3.636 6.445 573 HD2 ARG 73 HD2 ARG 73 -0.764 3.224 8.587 574 HD3 ARG 73 HD1 ARG 73 -1.587 4.749 8.300 575 HE ARG 73 HE ARG 73 -3.656 3.115 8.644 576 HH11 ARG 73 HH11 ARG 73 -0.641 2.974 10.488 577 HH12 ARG 73 HH12 ARG 73 -1.378 3.000 12.015 578 HH21 ARG 73 HH21 ARG 73 -4.704 3.073 10.726 579 HH22 ARG 73 HH22 ARG 73 -3.787 3.022 12.162 580 H LEU 74 HN LEU 74 0.725 0.969 5.105 581 HA LEU 74 HA LEU 74 1.808 3.323 4.146 582 HB2 LEU 74 HB2 LEU 74 2.761 0.564 4.500 583 HB3 LEU 74 HB1 LEU 74 3.653 1.488 3.324 584 HG LEU 74 HG LEU 74 4.680 1.489 5.576 585 HD11 LEU 74 HD11 LEU 74 3.767 4.183 4.583 586 HD12 LEU 74 HD12 LEU 74 5.228 3.296 4.119 587 HD13 LEU 74 HD13 LEU 74 5.059 3.905 5.751 588 HD21 LEU 74 HD21 LEU 74 2.645 1.444 6.918 589 HD22 LEU 74 HD22 LEU 74 2.256 3.085 6.393 590 HD23 LEU 74 HD23 LEU 74 3.693 2.787 7.374 591 H ALA 75 HN ALA 75 0.905 0.433 2.322 592 HA ALA 75 HA ALA 75 1.845 1.513 -0.133 593 HB1 ALA 75 HB1 ALA 75 -0.121 -0.723 0.306 594 HB2 ALA 75 HB2 ALA 75 1.639 -0.878 0.094 595 HB3 ALA 75 HB3 ALA 75 0.636 -0.287 -1.222 596 H LEU 76 HN LEU 76 -1.466 1.252 1.243 597 HA LEU 76 HA LEU 76 -2.654 2.379 -1.043 598 HB2 LEU 76 HB2 LEU 76 -4.737 2.481 0.155 599 HB3 LEU 76 HB1 LEU 76 -3.921 1.020 0.644 600 HG LEU 76 HG LEU 76 -3.179 2.514 2.687 601 HD11 LEU 76 HD11 LEU 76 -5.734 3.854 1.836 602 HD12 LEU 76 HD12 LEU 76 -4.127 4.586 1.900 603 HD13 LEU 76 HD13 LEU 76 -4.919 4.071 3.385 604 HD21 LEU 76 HD21 LEU 76 -4.480 0.488 2.886 605 HD22 LEU 76 HD22 LEU 76 -5.940 1.362 2.421 606 HD23 LEU 76 HD23 LEU 76 -5.132 1.742 3.940 607 H SER 77 HN SER 77 -1.551 3.872 1.939 608 HA SER 77 HA SER 77 -2.448 6.457 1.191 609 HB2 SER 77 HB2 SER 77 -0.841 5.281 3.375 610 HB3 SER 77 HB1 SER 77 -1.011 7.067 3.285 611 HG SER 77 HG SER 77 -3.354 6.363 3.118 612 H THR 78 HN THR 78 0.091 4.671 0.030 613 HA THR 78 HA THR 78 1.548 7.100 -0.603 614 HB THR 78 HB THR 78 2.496 4.219 -0.898 615 HG1 THR 78 HG1 THR 78 2.644 4.660 1.195 616 HG21 THR 78 HG21 THR 78 4.689 5.199 -1.372 617 HG22 THR 78 HG22 THR 78 4.008 6.820 -1.232 618 HG23 THR 78 HG23 THR 78 3.511 5.772 -2.558 619 H PHE 79 HN PHE 79 -0.525 4.678 -1.918 620 HA PHE 79 HA PHE 79 0.024 4.894 -4.639 621 HB2 PHE 79 HB2 PHE 79 -2.626 4.493 -3.235 622 HB3 PHE 79 HB1 PHE 79 -2.454 4.375 -4.986 623 HD1 PHE 79 HD2 PHE 79 0.314 2.881 -4.689 624 HD2 PHE 79 HD1 PHE 79 -3.545 2.366 -2.977 625 HE1 PHE 79 HE2 PHE 79 0.774 0.497 -4.362 626 HE2 PHE 79 HE1 PHE 79 -3.086 -0.025 -2.646 627 HZ PHE 79 HZ PHE 79 -0.921 -0.965 -3.345 628 H GLU 80 HN GLU 80 -1.940 6.850 -2.491 629 HA GLU 80 HA GLU 80 -2.992 8.657 -4.399 630 HB2 GLU 80 HB3 GLU 80 -3.579 10.058 -2.469 631 HB3 GLU 80 HB2 GLU 80 -3.992 8.375 -2.172 632 HG2 GLU 80 HG3 GLU 80 -2.028 8.093 -0.803 633 HG3 GLU 80 HG2 GLU 80 -1.502 9.726 -1.178 634 H ARG 81 HN ARG 81 0.123 8.399 -2.983 635 HA ARG 81 HA ARG 81 0.804 11.216 -3.158 636 HB2 ARG 81 HB2 ARG 81 2.650 8.894 -2.658 637 HB3 ARG 81 HB1 ARG 81 2.951 10.590 -2.304 638 HG2 ARG 81 HG2 ARG 81 0.844 8.891 -1.023 639 HG3 ARG 81 HG1 ARG 81 2.412 9.327 -0.323 640 HD2 ARG 81 HD2 ARG 81 1.792 11.579 -0.144 641 HD3 ARG 81 HD1 ARG 81 0.393 11.352 -1.201 642 HE ARG 81 HE ARG 81 -0.037 9.643 0.851 643 HH11 ARG 81 HH11 ARG 81 0.573 13.139 0.720 644 HH12 ARG 81 HH12 ARG 81 -0.446 13.505 2.021 645 HH21 ARG 81 HH21 ARG 81 -1.560 10.164 2.523 646 HH22 ARG 81 HH22 ARG 81 -1.698 11.768 3.076 647 H ILE 82 HN ILE 82 1.148 8.307 -4.948 648 HA ILE 82 HA ILE 82 2.911 9.589 -6.874 649 HB ILE 82 HB ILE 82 3.217 7.330 -7.856 650 HG12 ILE 82 HG12 ILE 82 1.624 6.254 -5.521 651 HG13 ILE 82 HG11 ILE 82 0.893 6.455 -7.127 652 HG21 ILE 82 HG21 ILE 82 4.440 6.364 -5.937 653 HG22 ILE 82 HG22 ILE 82 3.580 7.471 -4.867 654 HG23 ILE 82 HG23 ILE 82 4.689 8.108 -6.077 655 HD11 ILE 82 HD11 ILE 82 3.216 4.700 -6.337 656 HD12 ILE 82 HD12 ILE 82 2.578 4.855 -7.975 657 HD13 ILE 82 HD13 ILE 82 1.573 4.173 -6.696 658 H ASN 83 HN ASN 83 -0.042 9.890 -6.351 659 HA ASN 83 HA ASN 83 -1.814 10.650 -7.410 660 HB2 ASN 83 HB3 ASN 83 -0.245 11.937 -8.843 661 HB3 ASN 83 HB2 ASN 83 -0.156 10.590 -9.961 662 HD21 ASN 83 HD21 ASN 83 -1.753 10.345 -11.476 663 HD22 ASN 83 HD22 ASN 83 -3.088 11.412 -11.667 664 H ARG 84 HN ARG 84 -0.992 7.700 -7.566 665 HA ARG 84 HA ARG 84 -3.119 6.879 -9.390 666 HB2 ARG 84 HB2 ARG 84 -0.712 5.821 -8.989 667 HB3 ARG 84 HB1 ARG 84 -1.573 5.039 -7.677 668 HG2 ARG 84 HG2 ARG 84 -2.402 4.916 -10.588 669 HG3 ARG 84 HG1 ARG 84 -1.407 3.700 -9.804 670 HD2 ARG 84 HD2 ARG 84 -3.189 3.184 -8.275 671 HD3 ARG 84 HD1 ARG 84 -4.170 4.473 -8.900 672 HE ARG 84 HE ARG 84 -4.948 3.020 -10.468 673 HH11 ARG 84 HH11 ARG 84 -1.549 1.979 -9.977 674 HH12 ARG 84 HH12 ARG 84 -1.719 0.620 -10.985 675 HH21 ARG 84 HH21 ARG 84 -5.102 1.100 -11.776 676 HH22 ARG 84 HH22 ARG 84 -3.744 0.131 -12.033 677 H LYS 85 HN LYS 85 -4.456 8.106 -8.018 678 HA LYS 85 HA LYS 85 -4.870 7.568 -5.235 679 HB2 LYS 85 HB2 LYS 85 -5.007 9.790 -6.223 680 HB3 LYS 85 HB1 LYS 85 -6.326 9.268 -7.259 681 HG2 LYS 85 HG2 LYS 85 -7.745 8.999 -5.291 682 HG3 LYS 85 HG1 LYS 85 -6.387 9.471 -4.260 683 HD2 LYS 85 HD2 LYS 85 -7.844 11.373 -4.577 684 HD3 LYS 85 HD1 LYS 85 -6.312 11.657 -5.394 685 HE2 LYS 85 HE2 LYS 85 -8.114 12.404 -6.808 686 HE3 LYS 85 HE1 LYS 85 -7.379 10.991 -7.545 687 HZ1 LYS 85 HZ1 LYS 85 -9.880 11.007 -5.952 688 HZ2 LYS 85 HZ2 LYS 85 -9.283 9.643 -6.723 689 HZ3 LYS 85 HZ3 LYS 85 -9.805 10.971 -7.609 690 H ASP 86 HN ASP 86 -6.014 6.458 -8.194 691 HA ASP 86 HA ASP 86 -8.572 5.675 -7.845 692 HB2 ASP 86 HB2 ASP 86 -6.415 4.099 -9.247 693 HB3 ASP 86 HB1 ASP 86 -8.143 4.028 -9.566 694 H LEU 87 HN LEU 87 -5.585 3.899 -7.112 695 HA LEU 87 HA LEU 87 -6.985 1.603 -6.071 696 HB2 LEU 87 HB2 LEU 87 -4.090 2.379 -5.869 697 HB3 LEU 87 HB1 LEU 87 -4.727 0.881 -5.248 698 HG LEU 87 HG LEU 87 -4.587 1.735 -8.134 699 HD11 LEU 87 HD11 LEU 87 -2.462 1.058 -7.158 700 HD12 LEU 87 HD12 LEU 87 -3.029 -0.096 -8.355 701 HD13 LEU 87 HD13 LEU 87 -3.180 -0.467 -6.635 702 HD21 LEU 87 HD21 LEU 87 -6.622 0.438 -7.802 703 HD22 LEU 87 HD22 LEU 87 -5.714 -0.808 -6.949 704 HD23 LEU 87 HD23 LEU 87 -5.420 -0.523 -8.661 705 H TRP 88 HN TRP 88 -5.667 4.489 -4.790 706 HA TRP 88 HA TRP 88 -5.628 3.802 -2.067 707 HB2 TRP 88 HB2 TRP 88 -4.421 5.710 -2.853 708 HB3 TRP 88 HB1 TRP 88 -5.865 6.422 -3.524 709 HD1 TRP 88 HD1 TRP 88 -4.494 5.502 -0.033 710 HE1 TRP 88 HE1 TRP 88 -5.392 7.233 1.673 711 HE3 TRP 88 HE3 TRP 88 -7.476 8.182 -3.126 712 HZ2 TRP 88 HZ2 TRP 88 -7.119 9.424 1.667 713 HZ3 TRP 88 HZ3 TRP 88 -8.721 10.089 -2.221 714 HH2 TRP 88 HH2 TRP 88 -8.557 10.697 0.125 715 H GLU 89 HN GLU 89 -8.038 5.413 -4.094 716 HA GLU 89 HA GLU 89 -10.046 5.768 -2.192 717 HB2 GLU 89 HB3 GLU 89 -10.250 5.342 -5.166 718 HB3 GLU 89 HB2 GLU 89 -11.611 5.799 -4.147 719 HG2 GLU 89 HG3 GLU 89 -10.502 7.854 -3.544 720 HG3 GLU 89 HG2 GLU 89 -9.083 7.379 -4.470 721 H ARG 90 HN ARG 90 -9.099 2.939 -3.914 722 HA ARG 90 HA ARG 90 -11.488 1.408 -3.382 723 HB2 ARG 90 HB2 ARG 90 -8.706 0.379 -3.936 724 HB3 ARG 90 HB1 ARG 90 -10.196 -0.524 -4.089 725 HG2 ARG 90 HG2 ARG 90 -9.342 1.782 -5.847 726 HG3 ARG 90 HG1 ARG 90 -9.186 0.078 -6.250 727 HD2 ARG 90 HD2 ARG 90 -11.078 0.835 -7.386 728 HD3 ARG 90 HD1 ARG 90 -11.710 -0.047 -5.998 729 HE ARG 90 HE ARG 90 -11.401 2.809 -5.682 730 HH11 ARG 90 HH11 ARG 90 -13.608 0.183 -6.568 731 HH12 ARG 90 HH12 ARG 90 -15.019 1.077 -6.272 732 HH21 ARG 90 HH21 ARG 90 -13.409 4.083 -5.328 733 HH22 ARG 90 HH22 ARG 90 -14.897 3.312 -5.557 734 H GLY 91 HN GLY 91 -8.311 1.861 -1.954 735 HA2 GLY 91 HA3 GLY 91 -8.660 -0.259 -0.019 736 HA3 GLY 91 HA2 GLY 91 -7.228 0.721 -0.298 737 H GLN 92 HN GLN 92 -9.760 2.803 0.035 738 HA GLN 92 HA GLN 92 -8.961 3.662 2.613 739 HB2 GLN 92 HB2 GLN 92 -11.412 4.337 0.976 740 HB3 GLN 92 HB1 GLN 92 -11.055 5.113 2.506 741 HG2 GLN 92 HG2 GLN 92 -8.967 5.983 1.555 742 HG3 GLN 92 HG1 GLN 92 -9.343 5.198 0.026 743 HE21 GLN 92 HE21 GLN 92 -10.158 7.779 2.190 744 HE22 GLN 92 HE22 GLN 92 -11.143 8.670 1.090 745 H ARG 93 HN ARG 93 -9.095 2.338 4.154 746 HA ARG 93 HA ARG 93 -11.561 0.784 4.617 747 HB2 ARG 93 HB2 ARG 93 -10.220 -0.804 5.844 748 HB3 ARG 93 HB1 ARG 93 -9.429 -0.489 4.303 749 HG2 ARG 93 HG2 ARG 93 -7.830 0.971 5.353 750 HG3 ARG 93 HG1 ARG 93 -8.689 0.871 6.880 751 HD2 ARG 93 HD2 ARG 93 -8.183 -1.629 6.788 752 HD3 ARG 93 HD1 ARG 93 -7.067 -1.184 5.478 753 HE ARG 93 HE ARG 93 -6.199 0.500 7.251 754 HH11 ARG 93 HH11 ARG 93 -7.025 -2.888 7.940 755 HH12 ARG 93 HH12 ARG 93 -6.165 -2.923 9.407 756 HH21 ARG 93 HH21 ARG 93 -5.078 0.442 9.144 757 HH22 ARG 93 HH22 ARG 93 -4.980 -0.975 10.131 758 H GLU 94 HN GLU 94 -9.464 3.207 5.985 759 HA GLU 94 HA GLU 94 -10.973 3.204 8.484 760 HB2 GLU 94 HB3 GLU 94 -8.852 3.492 9.745 761 HB3 GLU 94 HB2 GLU 94 -8.922 1.935 8.941 762 HG2 GLU 94 HG3 GLU 94 -7.462 2.805 7.161 763 HG3 GLU 94 HG2 GLU 94 -7.386 4.353 7.997 764 H ASP 95 HN ASP 95 -11.250 4.700 6.231 765 HA ASP 95 HA ASP 95 -10.102 7.315 6.883 766 HB2 ASP 95 HB2 ASP 95 -10.650 6.132 4.150 767 HB3 ASP 95 HB1 ASP 95 -9.946 7.706 4.475 768 H LEU 96 HN LEU 96 -11.562 8.811 5.208 769 HA LEU 96 HA LEU 96 -14.216 8.591 6.225 770 HB2 LEU 96 HB2 LEU 96 -14.776 10.545 4.946 771 HB3 LEU 96 HB1 LEU 96 -13.231 10.811 5.713 772 HG LEU 96 HG LEU 96 -13.581 10.035 2.843 773 HD11 LEU 96 HD11 LEU 96 -13.137 12.421 2.336 774 HD12 LEU 96 HD12 LEU 96 -13.137 12.764 4.064 775 HD13 LEU 96 HD13 LEU 96 -14.617 12.215 3.277 776 HD21 LEU 96 HD21 LEU 96 -11.206 11.127 4.354 777 HD22 LEU 96 HD22 LEU 96 -11.282 10.958 2.603 778 HD23 LEU 96 HD23 LEU 96 -11.363 9.525 3.622 779 H VAL 97 HN VAL 97 -16.107 8.080 5.179 780 HA VAL 97 HA VAL 97 -17.479 7.001 3.867 781 HB VAL 97 HB VAL 97 -15.287 7.156 1.799 782 HG11 VAL 97 HG11 VAL 97 -18.142 6.174 1.451 783 HG12 VAL 97 HG12 VAL 97 -16.710 5.160 1.377 784 HG13 VAL 97 HG13 VAL 97 -16.980 6.390 0.139 785 HG21 VAL 97 HG21 VAL 97 -17.918 8.597 2.069 786 HG22 VAL 97 HG22 VAL 97 -16.783 8.791 0.732 787 HG23 VAL 97 HG23 VAL 97 -16.317 9.271 2.366 788 H ARG 98 HN ARG 98 -18.061 5.124 4.325 789 HA ARG 98 HA ARG 98 -16.037 3.084 4.766 790 HB2 ARG 98 HB2 ARG 98 -17.932 1.920 6.017 791 HB3 ARG 98 HB1 ARG 98 -17.239 3.363 6.735 792 HG2 ARG 98 HG2 ARG 98 -19.109 4.661 6.246 793 HG3 ARG 98 HG1 ARG 98 -19.671 3.529 5.018 794 HD2 ARG 98 HD2 ARG 98 -20.935 3.545 7.164 795 HD3 ARG 98 HD1 ARG 98 -20.363 1.979 6.599 796 HE ARG 98 HE ARG 98 -18.513 3.171 8.389 797 HH11 ARG 98 HH11 ARG 98 -21.617 1.464 8.288 798 HH12 ARG 98 HH12 ARG 98 -21.432 0.770 9.829 799 HH21 ARG 98 HH21 ARG 98 -18.223 2.171 10.435 800 HH22 ARG 98 HH22 ARG 98 -19.423 1.158 11.106 801 H ASP 99 HN ASP 99 -16.219 3.182 2.279 802 HA ASP 99 HA ASP 99 -18.346 1.540 1.236 803 HB2 ASP 99 HB2 ASP 99 -17.271 3.231 -0.234 804 HB3 ASP 99 HB1 ASP 99 -15.747 2.352 -0.107 805 H THR 100 HN THR 100 -18.072 -0.584 0.397 806 HA THR 100 HA THR 100 -17.512 -2.725 0.555 807 HB THR 100 HB THR 100 -14.732 -1.794 1.428 808 HG1 THR 100 HG1 THR 100 -15.744 -0.971 -0.696 809 HG21 THR 100 HG21 THR 100 -15.131 -4.244 1.661 810 HG22 THR 100 HG22 THR 100 -13.957 -3.896 0.391 811 HG23 THR 100 HG23 THR 100 -15.617 -4.308 -0.032 812 H VAL 101 HN VAL 101 -18.339 -0.940 2.717 813 HA VAL 101 HA VAL 101 -18.343 -2.896 4.908 814 HB VAL 101 HB VAL 101 -18.467 0.136 5.179 815 HG11 VAL 101 HG11 VAL 101 -18.485 -2.005 7.298 816 HG12 VAL 101 HG12 VAL 101 -19.844 -0.985 6.830 817 HG13 VAL 101 HG13 VAL 101 -18.433 -0.270 7.613 818 HG21 VAL 101 HG21 VAL 101 -16.191 -0.585 4.715 819 HG22 VAL 101 HG22 VAL 101 -16.272 -1.735 6.053 820 HG23 VAL 101 HG23 VAL 101 -16.343 -0.001 6.369 821 H GLU 102 HN GLU 102 -19.792 0.105 3.717 822 HA GLU 102 HA GLU 102 -22.409 -1.095 3.865 823 HB2 GLU 102 HB3 GLU 102 -21.343 1.586 4.094 824 HB3 GLU 102 HB2 GLU 102 -22.488 1.520 2.766 825 HG2 GLU 102 HG3 GLU 102 -23.643 2.199 4.749 826 HG3 GLU 102 HG2 GLU 102 -24.182 0.587 4.304 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 -8.609 -16.087 25.468 2 H2 GLY 1 HT2 GLY 1 -9.507 -16.897 26.625 3 H3 GLY 1 HT3 GLY 1 -9.217 -15.230 26.796 4 HA2 GLY 1 HA2 GLY 1 -10.821 -16.561 24.697 5 HA3 GLY 1 HA3 GLY 1 -11.459 -15.622 26.044 6 H HIS 2 HN HIS 2 -9.209 -15.331 23.283 7 HA HIS 2 HA HIS 2 -10.351 -12.695 22.763 8 HB2 HIS 2 HB2 HIS 2 -7.403 -13.286 23.031 9 HB3 HIS 2 HB1 HIS 2 -8.004 -11.915 22.115 10 HD1 HIS 2 HD1 HIS 2 -8.889 -9.896 23.457 11 HD2 HIS 2 HD2 HIS 2 -7.657 -13.092 25.806 12 HE1 HIS 2 HE1 HIS 2 -8.784 -9.029 25.805 13 H MET 3 HN MET 3 -10.062 -11.985 20.609 14 HA MET 3 HA MET 3 -9.153 -13.984 18.696 15 HB2 MET 3 HB2 MET 3 -11.590 -14.249 18.817 16 HB3 MET 3 HB1 MET 3 -11.800 -12.519 18.586 17 HG2 MET 3 HG2 MET 3 -12.266 -13.775 16.541 18 HG3 MET 3 HG1 MET 3 -10.905 -12.673 16.348 19 HE1 MET 3 HE1 MET 3 -10.241 -13.926 14.107 20 HE2 MET 3 HE2 MET 3 -11.604 -15.027 14.321 21 HE3 MET 3 HE3 MET 3 -9.993 -15.668 13.994 22 H LEU 4 HN LEU 4 -8.016 -13.082 17.079 23 HA LEU 4 HA LEU 4 -7.457 -10.299 17.400 24 HB2 LEU 4 HB2 LEU 4 -5.547 -10.596 15.919 25 HB3 LEU 4 HB1 LEU 4 -5.537 -11.767 17.202 26 HG LEU 4 HG LEU 4 -4.689 -12.847 15.326 27 HD11 LEU 4 HD11 LEU 4 -6.172 -14.655 14.740 28 HD12 LEU 4 HD12 LEU 4 -7.519 -13.773 15.456 29 HD13 LEU 4 HD13 LEU 4 -6.175 -14.301 16.470 30 HD21 LEU 4 HD21 LEU 4 -5.288 -11.323 13.566 31 HD22 LEU 4 HD22 LEU 4 -6.977 -11.822 13.660 32 HD23 LEU 4 HD23 LEU 4 -5.751 -12.961 13.102 33 H ARG 5 HN ARG 5 -8.075 -8.710 16.266 34 HA ARG 5 HA ARG 5 -9.312 -9.183 13.647 35 HB2 ARG 5 HB2 ARG 5 -9.699 -6.877 15.572 36 HB3 ARG 5 HB1 ARG 5 -10.422 -6.984 13.973 37 HG2 ARG 5 HG2 ARG 5 -11.674 -8.948 14.657 38 HG3 ARG 5 HG1 ARG 5 -10.931 -8.878 16.255 39 HD2 ARG 5 HD2 ARG 5 -11.935 -6.685 16.621 40 HD3 ARG 5 HD1 ARG 5 -12.661 -6.745 15.018 41 HE ARG 5 HE ARG 5 -13.583 -8.978 16.119 42 HH11 ARG 5 HH11 ARG 5 -13.492 -5.687 17.374 43 HH12 ARG 5 HH12 ARG 5 -14.891 -5.843 18.314 44 HH21 ARG 5 HH21 ARG 5 -15.469 -9.219 17.360 45 HH22 ARG 5 HH22 ARG 5 -16.092 -7.934 18.298 46 H THR 6 HN THR 6 -6.896 -7.583 15.506 47 HA THR 6 HA THR 6 -5.890 -6.176 13.196 48 HB THR 6 HB THR 6 -4.337 -5.177 14.942 49 HG1 THR 6 HG1 THR 6 -4.833 -5.469 17.081 50 HG21 THR 6 HG21 THR 6 -6.045 -3.679 15.915 51 HG22 THR 6 HG22 THR 6 -7.302 -4.783 15.358 52 HG23 THR 6 HG23 THR 6 -6.289 -3.933 14.188 53 H ALA 7 HN ALA 7 -3.790 -6.542 12.582 54 HA ALA 7 HA ALA 7 -1.956 -7.730 12.028 55 HB1 ALA 7 HB1 ALA 7 -1.979 -8.801 14.844 56 HB2 ALA 7 HB2 ALA 7 -1.339 -7.229 14.384 57 HB3 ALA 7 HB3 ALA 7 -0.594 -8.703 13.754 58 H GLY 8 HN GLY 8 -2.897 -9.030 10.470 59 HA2 GLY 8 HA3 GLY 8 -2.822 -11.826 11.169 60 HA3 GLY 8 HA2 GLY 8 -4.349 -11.209 10.538 61 H ARG 9 HN ARG 9 -3.198 -13.111 9.102 62 HA ARG 9 HA ARG 9 -1.424 -12.107 7.109 63 HB2 ARG 9 HB2 ARG 9 -1.548 -14.506 7.593 64 HB3 ARG 9 HB1 ARG 9 -3.222 -14.538 7.058 65 HG2 ARG 9 HG2 ARG 9 -2.549 -14.023 4.796 66 HG3 ARG 9 HG1 ARG 9 -0.869 -13.865 5.306 67 HD2 ARG 9 HD2 ARG 9 -2.526 -16.353 5.536 68 HD3 ARG 9 HD1 ARG 9 -1.377 -16.034 4.235 69 HE ARG 9 HE ARG 9 -0.286 -15.837 6.900 70 HH11 ARG 9 HH11 ARG 9 -0.907 -18.034 4.238 71 HH12 ARG 9 HH12 ARG 9 0.373 -19.088 4.588 72 HH21 ARG 9 HH21 ARG 9 1.439 -17.261 7.457 73 HH22 ARG 9 HH22 ARG 9 1.755 -18.640 6.485 74 H ASP 10 HN ASP 10 -4.800 -12.034 7.597 75 HA ASP 10 HA ASP 10 -5.677 -11.472 4.998 76 HB2 ASP 10 HB2 ASP 10 -7.315 -11.941 6.758 77 HB3 ASP 10 HB1 ASP 10 -6.798 -10.521 7.660 78 H GLY 11 HN GLY 11 -4.658 -10.029 3.884 79 HA2 GLY 11 HA3 GLY 11 -4.783 -7.401 3.815 80 HA3 GLY 11 HA2 GLY 11 -3.622 -7.616 5.128 81 H LEU 12 HN LEU 12 -2.314 -9.888 4.176 82 HA LEU 12 HA LEU 12 -0.269 -8.759 2.615 83 HB2 LEU 12 HB2 LEU 12 -0.135 -10.793 4.129 84 HB3 LEU 12 HB1 LEU 12 -0.956 -11.682 2.899 85 HG LEU 12 HG LEU 12 1.577 -12.039 3.066 86 HD11 LEU 12 HD11 LEU 12 1.900 -12.233 0.655 87 HD12 LEU 12 HD12 LEU 12 0.438 -11.280 0.383 88 HD13 LEU 12 HD13 LEU 12 0.331 -12.859 1.160 89 HD21 LEU 12 HD21 LEU 12 2.992 -10.448 1.873 90 HD22 LEU 12 HD22 LEU 12 2.233 -9.698 3.277 91 HD23 LEU 12 HD23 LEU 12 1.613 -9.374 1.658 92 H CYS 13 HN CYS 13 -2.728 -11.077 1.726 93 HA CYS 13 HA CYS 13 -2.188 -11.354 -0.985 94 HB2 CYS 13 HB2 CYS 13 -4.770 -11.522 0.509 95 HB3 CYS 13 HB1 CYS 13 -4.396 -12.381 -1.008 96 HG CYS 13 HG CYS 13 -2.913 -14.268 0.050 97 H ARG 14 HN ARG 14 -4.158 -9.072 0.769 98 HA ARG 14 HA ARG 14 -5.535 -7.848 -1.403 99 HB2 ARG 14 HB2 ARG 14 -6.275 -7.926 0.960 100 HB3 ARG 14 HB1 ARG 14 -4.920 -6.921 1.402 101 HG2 ARG 14 HG2 ARG 14 -5.886 -5.032 0.279 102 HG3 ARG 14 HG1 ARG 14 -7.168 -6.045 -0.403 103 HD2 ARG 14 HD2 ARG 14 -6.687 -5.556 2.546 104 HD3 ARG 14 HD1 ARG 14 -7.988 -4.846 1.584 105 HE ARG 14 HE ARG 14 -8.682 -7.213 1.154 106 HH11 ARG 14 HH11 ARG 14 -7.166 -6.335 4.284 107 HH12 ARG 14 HH12 ARG 14 -7.744 -7.730 5.074 108 HH21 ARG 14 HH21 ARG 14 -9.396 -9.090 2.268 109 HH22 ARG 14 HH22 ARG 14 -8.971 -9.367 3.907 110 H LEU 15 HN LEU 15 -2.758 -7.019 0.571 111 HA LEU 15 HA LEU 15 -1.954 -4.609 -0.509 112 HB2 LEU 15 HB2 LEU 15 -1.188 -5.584 1.586 113 HB3 LEU 15 HB1 LEU 15 -0.420 -6.888 0.724 114 HG LEU 15 HG LEU 15 1.209 -5.285 -0.211 115 HD11 LEU 15 HD11 LEU 15 -0.203 -3.292 -0.162 116 HD12 LEU 15 HD12 LEU 15 1.316 -3.052 0.703 117 HD13 LEU 15 HD13 LEU 15 -0.170 -3.332 1.602 118 HD21 LEU 15 HD21 LEU 15 0.930 -5.236 2.786 119 HD22 LEU 15 HD22 LEU 15 2.399 -4.890 1.874 120 HD23 LEU 15 HD23 LEU 15 1.700 -6.505 1.832 121 H SER 16 HN SER 16 -0.909 -7.913 -1.253 122 HA SER 16 HA SER 16 0.979 -7.407 -3.212 123 HB2 SER 16 HB2 SER 16 -0.875 -9.789 -3.018 124 HB3 SER 16 HB1 SER 16 0.657 -9.737 -3.893 125 HG SER 16 HG SER 16 0.227 -9.590 -1.088 126 H THR 17 HN THR 17 -2.493 -8.022 -3.621 127 HA THR 17 HA THR 17 -2.476 -8.102 -6.403 128 HB THR 17 HB THR 17 -4.755 -7.407 -4.553 129 HG1 THR 17 HG1 THR 17 -4.461 -9.406 -3.952 130 HG21 THR 17 HG21 THR 17 -6.166 -8.328 -6.366 131 HG22 THR 17 HG22 THR 17 -4.730 -8.551 -7.366 132 HG23 THR 17 HG23 THR 17 -5.255 -6.926 -6.925 133 H TYR 18 HN TYR 18 -2.929 -5.331 -4.235 134 HA TYR 18 HA TYR 18 -3.559 -3.601 -6.429 135 HB2 TYR 18 HB2 TYR 18 -3.011 -3.038 -3.528 136 HB3 TYR 18 HB1 TYR 18 -3.260 -1.751 -4.702 137 HD1 TYR 18 HD2 TYR 18 -5.411 -2.188 -6.238 138 HD2 TYR 18 HD1 TYR 18 -4.869 -3.677 -2.304 139 HE1 TYR 18 HE2 TYR 18 -7.847 -2.371 -5.987 140 HE2 TYR 18 HE1 TYR 18 -7.304 -3.876 -2.039 141 HH TYR 18 HH TYR 18 -9.362 -2.645 -3.147 142 H LEU 19 HN LEU 19 -0.670 -4.517 -4.754 143 HA LEU 19 HA LEU 19 0.875 -2.400 -5.879 144 HB2 LEU 19 HB2 LEU 19 1.684 -4.957 -4.514 145 HB3 LEU 19 HB1 LEU 19 2.838 -3.774 -5.094 146 HG LEU 19 HG LEU 19 0.734 -3.234 -2.986 147 HD11 LEU 19 HD11 LEU 19 2.421 -4.788 -2.200 148 HD12 LEU 19 HD12 LEU 19 2.594 -3.213 -1.427 149 HD13 LEU 19 HD13 LEU 19 3.696 -3.687 -2.722 150 HD21 LEU 19 HD21 LEU 19 1.982 -1.155 -2.625 151 HD22 LEU 19 HD22 LEU 19 1.346 -1.237 -4.259 152 HD23 LEU 19 HD23 LEU 19 3.052 -1.558 -3.966 153 H GLU 20 HN GLU 20 -0.309 -5.316 -7.101 154 HA GLU 20 HA GLU 20 1.716 -5.728 -9.081 155 HB2 GLU 20 HB3 GLU 20 -1.138 -6.725 -8.999 156 HB3 GLU 20 HB2 GLU 20 0.075 -7.240 -10.163 157 HG2 GLU 20 HG3 GLU 20 1.442 -8.111 -8.317 158 HG3 GLU 20 HG2 GLU 20 0.177 -7.638 -7.187 159 H GLU 21 HN GLU 21 -0.823 -3.512 -8.756 160 HA GLU 21 HA GLU 21 -1.182 -3.051 -11.573 161 HB2 GLU 21 HB3 GLU 21 -1.987 -1.381 -9.202 162 HB3 GLU 21 HB2 GLU 21 -2.507 -1.113 -10.858 163 HG2 GLU 21 HG3 GLU 21 -3.140 -3.494 -9.137 164 HG3 GLU 21 HG2 GLU 21 -4.248 -2.194 -9.585 165 H LEU 22 HN LEU 22 1.140 -2.260 -9.299 166 HA LEU 22 HA LEU 22 1.939 0.156 -10.732 167 HB2 LEU 22 HB2 LEU 22 2.870 -0.926 -8.077 168 HB3 LEU 22 HB1 LEU 22 3.403 0.573 -8.804 169 HG LEU 22 HG LEU 22 0.651 -0.042 -7.734 170 HD11 LEU 22 HD11 LEU 22 2.307 0.333 -6.023 171 HD12 LEU 22 HD12 LEU 22 1.188 1.695 -6.111 172 HD13 LEU 22 HD13 LEU 22 2.803 1.838 -6.800 173 HD21 LEU 22 HD21 LEU 22 0.117 2.300 -8.221 174 HD22 LEU 22 HD22 LEU 22 0.476 1.412 -9.699 175 HD23 LEU 22 HD23 LEU 22 1.681 2.502 -9.007 176 H GLU 23 HN GLU 23 3.746 0.103 -11.913 177 HA GLU 23 HA GLU 23 5.120 -2.446 -12.090 178 HB2 GLU 23 HB3 GLU 23 5.959 -1.674 -14.187 179 HB3 GLU 23 HB2 GLU 23 4.265 -1.206 -14.060 180 HG2 GLU 23 HG3 GLU 23 4.708 0.927 -14.280 181 HG3 GLU 23 HG2 GLU 23 6.047 0.851 -13.122 182 H ALA 24 HN ALA 24 7.660 -1.738 -12.895 183 HA ALA 24 HA ALA 24 9.045 -1.477 -10.530 184 HB1 ALA 24 HB1 ALA 24 10.019 -2.396 -12.579 185 HB2 ALA 24 HB2 ALA 24 11.049 -1.153 -11.867 186 HB3 ALA 24 HB3 ALA 24 10.061 -0.778 -13.279 187 H VAL 25 HN VAL 25 8.542 1.119 -12.952 188 HA VAL 25 HA VAL 25 9.916 3.024 -11.362 189 HB VAL 25 HB VAL 25 9.675 3.448 -13.774 190 HG11 VAL 25 HG11 VAL 25 7.463 2.511 -14.149 191 HG12 VAL 25 HG12 VAL 25 7.557 4.163 -14.761 192 HG13 VAL 25 HG13 VAL 25 6.740 3.833 -13.231 193 HG21 VAL 25 HG21 VAL 25 10.000 5.389 -12.328 194 HG22 VAL 25 HG22 VAL 25 8.244 5.527 -12.159 195 HG23 VAL 25 HG23 VAL 25 8.996 5.801 -13.731 196 H GLU 26 HN GLU 26 6.612 2.020 -11.448 197 HA GLU 26 HA GLU 26 5.595 4.218 -9.940 198 HB2 GLU 26 HB3 GLU 26 4.415 1.489 -10.419 199 HB3 GLU 26 HB2 GLU 26 3.553 2.898 -9.800 200 HG2 GLU 26 HG3 GLU 26 4.838 2.654 -12.502 201 HG3 GLU 26 HG2 GLU 26 3.105 2.544 -12.186 202 H LEU 27 HN LEU 27 6.661 0.972 -9.210 203 HA LEU 27 HA LEU 27 6.064 1.069 -6.446 204 HB2 LEU 27 HB2 LEU 27 7.916 -0.698 -8.031 205 HB3 LEU 27 HB1 LEU 27 7.589 -0.873 -6.314 206 HG LEU 27 HG LEU 27 5.430 -1.040 -8.410 207 HD11 LEU 27 HD11 LEU 27 7.026 -3.251 -7.120 208 HD12 LEU 27 HD12 LEU 27 7.015 -2.815 -8.826 209 HD13 LEU 27 HD13 LEU 27 5.561 -3.475 -8.076 210 HD21 LEU 27 HD21 LEU 27 5.563 -1.857 -5.508 211 HD22 LEU 27 HD22 LEU 27 4.194 -2.132 -6.584 212 HD23 LEU 27 HD23 LEU 27 4.671 -0.487 -6.161 213 H LYS 28 HN LYS 28 8.539 2.374 -8.354 214 HA LYS 28 HA LYS 28 10.427 2.629 -6.207 215 HB2 LYS 28 HB2 LYS 28 11.101 2.301 -8.597 216 HB3 LYS 28 HB1 LYS 28 10.464 3.900 -8.950 217 HG2 LYS 28 HG2 LYS 28 12.112 4.933 -7.582 218 HG3 LYS 28 HG1 LYS 28 12.651 3.368 -6.969 219 HD2 LYS 28 HD2 LYS 28 13.314 2.739 -9.261 220 HD3 LYS 28 HD1 LYS 28 12.861 4.354 -9.809 221 HE2 LYS 28 HE2 LYS 28 15.281 4.144 -9.400 222 HE3 LYS 28 HE1 LYS 28 14.510 5.347 -8.367 223 HZ1 LYS 28 HZ1 LYS 28 14.517 3.793 -6.554 224 HZ2 LYS 28 HZ2 LYS 28 16.073 3.943 -7.149 225 HZ3 LYS 28 HZ3 LYS 28 15.182 2.564 -7.499 226 H LYS 29 HN LYS 29 8.078 4.624 -7.914 227 HA LYS 29 HA LYS 29 8.452 7.090 -6.549 228 HB2 LYS 29 HB2 LYS 29 5.890 5.777 -7.459 229 HB3 LYS 29 HB1 LYS 29 6.046 7.459 -7.003 230 HG2 LYS 29 HG2 LYS 29 7.454 7.912 -8.900 231 HG3 LYS 29 HG1 LYS 29 7.470 6.197 -9.327 232 HD2 LYS 29 HD2 LYS 29 5.106 6.232 -9.785 233 HD3 LYS 29 HD1 LYS 29 4.984 7.878 -9.172 234 HE2 LYS 29 HE2 LYS 29 6.296 8.714 -10.924 235 HE3 LYS 29 HE1 LYS 29 6.696 7.090 -11.502 236 HZ1 LYS 29 HZ1 LYS 29 3.976 8.282 -11.481 237 HZ2 LYS 29 HZ2 LYS 29 4.432 6.761 -12.112 238 HZ3 LYS 29 HZ3 LYS 29 4.969 8.184 -12.843 239 H PHE 30 HN PHE 30 6.449 4.325 -5.994 240 HA PHE 30 HA PHE 30 5.404 4.961 -3.488 241 HB2 PHE 30 HB2 PHE 30 4.277 3.306 -4.674 242 HB3 PHE 30 HB1 PHE 30 5.758 2.497 -5.135 243 HD1 PHE 30 HD2 PHE 30 3.735 3.247 -2.128 244 HD2 PHE 30 HD1 PHE 30 6.262 0.542 -4.137 245 HE1 PHE 30 HE2 PHE 30 3.391 1.600 -0.323 246 HE2 PHE 30 HE1 PHE 30 5.912 -1.139 -2.367 247 HZ PHE 30 HZ PHE 30 4.461 -0.597 -0.452 248 H LYS 31 HN LYS 31 8.568 4.191 -4.363 249 HA LYS 31 HA LYS 31 9.060 2.969 -1.814 250 HB2 LYS 31 HB2 LYS 31 10.074 2.025 -3.961 251 HB3 LYS 31 HB1 LYS 31 11.146 3.405 -3.911 252 HG2 LYS 31 HG2 LYS 31 12.171 1.425 -2.939 253 HG3 LYS 31 HG1 LYS 31 12.032 2.750 -1.791 254 HD2 LYS 31 HD2 LYS 31 11.450 0.671 -0.683 255 HD3 LYS 31 HD1 LYS 31 10.011 1.653 -0.799 256 HE2 LYS 31 HE2 LYS 31 10.696 -0.579 -2.723 257 HE3 LYS 31 HE1 LYS 31 9.723 -0.813 -1.283 258 HZ1 LYS 31 HZ1 LYS 31 8.360 -0.621 -3.184 259 HZ2 LYS 31 HZ2 LYS 31 8.997 0.830 -3.686 260 HZ3 LYS 31 HZ3 LYS 31 8.075 0.758 -2.260 261 H LEU 32 HN LEU 32 10.270 5.820 -3.659 262 HA LEU 32 HA LEU 32 11.901 6.543 -1.421 263 HB2 LEU 32 HB2 LEU 32 12.776 8.275 -2.665 264 HB3 LEU 32 HB1 LEU 32 12.194 7.225 -3.939 265 HG LEU 32 HG LEU 32 10.702 9.643 -2.936 266 HD11 LEU 32 HD11 LEU 32 12.397 9.289 -5.382 267 HD12 LEU 32 HD12 LEU 32 12.774 10.295 -3.980 268 HD13 LEU 32 HD13 LEU 32 11.399 10.695 -5.009 269 HD21 LEU 32 HD21 LEU 32 10.308 7.838 -5.294 270 HD22 LEU 32 HD22 LEU 32 9.414 9.349 -4.993 271 HD23 LEU 32 HD23 LEU 32 9.287 7.990 -3.857 272 H TYR 33 HN TYR 33 8.614 6.968 -2.085 273 HA TYR 33 HA TYR 33 8.331 9.310 -0.613 274 HB2 TYR 33 HB2 TYR 33 6.455 8.665 -1.995 275 HB3 TYR 33 HB1 TYR 33 6.287 7.134 -1.135 276 HD1 TYR 33 HD1 TYR 33 5.945 10.814 -0.739 277 HD2 TYR 33 HD2 TYR 33 4.985 6.982 0.840 278 HE1 TYR 33 HE1 TYR 33 4.443 11.860 0.902 279 HE2 TYR 33 HE2 TYR 33 3.486 8.015 2.469 280 HH TYR 33 HH TYR 33 3.159 10.084 3.538 281 H LEU 34 HN LEU 34 8.532 5.961 0.247 282 HA LEU 34 HA LEU 34 8.144 6.687 3.047 283 HB2 LEU 34 HB2 LEU 34 7.381 4.333 3.431 284 HB3 LEU 34 HB1 LEU 34 6.349 5.306 2.415 285 HG LEU 34 HG LEU 34 7.488 4.063 0.443 286 HD11 LEU 34 HD11 LEU 34 8.081 2.116 2.657 287 HD12 LEU 34 HD12 LEU 34 9.267 2.973 1.676 288 HD13 LEU 34 HD13 LEU 34 8.191 1.791 0.927 289 HD21 LEU 34 HD21 LEU 34 5.834 2.299 0.577 290 HD22 LEU 34 HD22 LEU 34 5.146 3.837 1.096 291 HD23 LEU 34 HD23 LEU 34 5.606 2.622 2.291 292 H GLY 35 HN GLY 35 10.163 4.662 0.981 293 HA2 GLY 35 HA3 GLY 35 11.468 3.494 3.195 294 HA3 GLY 35 HA2 GLY 35 11.941 3.316 1.516 295 H THR 36 HN THR 36 12.118 6.342 1.331 296 HA THR 36 HA THR 36 14.777 6.545 2.531 297 HB THR 36 HB THR 36 15.165 8.335 0.859 298 HG1 THR 36 HG1 THR 36 13.546 9.211 -0.103 299 HG21 THR 36 HG21 THR 36 13.894 5.886 -0.363 300 HG22 THR 36 HG22 THR 36 15.604 6.039 0.081 301 HG23 THR 36 HG23 THR 36 14.913 7.025 -1.216 302 H ALA 37 HN ALA 37 11.683 7.326 3.277 303 HA ALA 37 HA ALA 37 11.957 10.121 3.885 304 HB1 ALA 37 HB1 ALA 37 9.733 8.223 4.641 305 HB2 ALA 37 HB2 ALA 37 9.792 9.184 3.174 306 HB3 ALA 37 HB3 ALA 37 9.679 9.981 4.738 307 H THR 38 HN THR 38 12.114 11.104 5.881 308 HA THR 38 HA THR 38 13.561 9.739 7.862 309 HB THR 38 HB THR 38 13.161 11.947 9.090 310 HG1 THR 38 HG1 THR 38 11.579 13.045 8.249 311 HG21 THR 38 HG21 THR 38 15.189 11.494 7.759 312 HG22 THR 38 HG22 THR 38 14.683 13.176 7.583 313 HG23 THR 38 HG23 THR 38 14.345 12.014 6.301 314 H GLU 39 HN GLU 39 10.314 10.364 7.290 315 HA GLU 39 HA GLU 39 9.110 10.426 9.808 316 HB2 GLU 39 HB3 GLU 39 7.948 9.402 7.234 317 HB3 GLU 39 HB2 GLU 39 7.057 10.014 8.623 318 HG2 GLU 39 HG3 GLU 39 8.019 12.216 8.300 319 HG3 GLU 39 HG2 GLU 39 8.980 11.596 6.961 320 H LEU 40 HN LEU 40 10.416 7.774 8.121 321 HA LEU 40 HA LEU 40 8.905 5.835 9.753 322 HB2 LEU 40 HB2 LEU 40 10.656 5.403 7.383 323 HB3 LEU 40 HB1 LEU 40 9.774 4.197 8.306 324 HG LEU 40 HG LEU 40 8.659 6.379 6.546 325 HD11 LEU 40 HD11 LEU 40 9.412 4.577 5.257 326 HD12 LEU 40 HD12 LEU 40 7.644 4.429 5.367 327 HD13 LEU 40 HD13 LEU 40 8.691 3.411 6.355 328 HD21 LEU 40 HD21 LEU 40 6.436 5.499 7.025 329 HD22 LEU 40 HD22 LEU 40 7.208 6.171 8.462 330 HD23 LEU 40 HD23 LEU 40 7.115 4.420 8.251 331 H GLY 41 HN GLY 41 11.395 7.497 10.129 332 HA2 GLY 41 HA3 GLY 41 13.004 7.175 11.899 333 HA3 GLY 41 HA2 GLY 41 12.870 5.440 11.640 334 H GLU 42 HN GLU 42 13.361 7.970 9.290 335 HA GLU 42 HA GLU 42 14.966 8.505 7.793 336 HB2 GLU 42 HB3 GLU 42 16.740 7.061 9.716 337 HB3 GLU 42 HB2 GLU 42 17.342 7.950 8.314 338 HG2 GLU 42 HG3 GLU 42 16.345 9.994 9.198 339 HG3 GLU 42 HG2 GLU 42 15.732 9.095 10.585 340 H GLY 43 HN GLY 43 13.893 5.518 8.087 341 HA2 GLY 43 HA3 GLY 43 13.830 4.626 5.660 342 HA3 GLY 43 HA2 GLY 43 15.564 4.483 5.923 343 H LYS 44 HN LYS 44 12.494 3.062 6.415 344 HA LYS 44 HA LYS 44 13.305 1.258 8.451 345 HB2 LYS 44 HB2 LYS 44 11.028 2.202 8.164 346 HB3 LYS 44 HB1 LYS 44 10.922 1.408 6.611 347 HG2 LYS 44 HG2 LYS 44 9.686 0.174 8.156 348 HG3 LYS 44 HG1 LYS 44 11.157 -0.716 7.712 349 HD2 LYS 44 HD2 LYS 44 10.735 -0.933 10.136 350 HD3 LYS 44 HD1 LYS 44 12.221 -0.046 9.826 351 HE2 LYS 44 HE2 LYS 44 11.013 2.076 10.213 352 HE3 LYS 44 HE1 LYS 44 9.538 1.161 10.517 353 HZ1 LYS 44 HZ1 LYS 44 10.634 1.831 12.556 354 HZ2 LYS 44 HZ2 LYS 44 12.030 1.018 12.133 355 HZ3 LYS 44 HZ3 LYS 44 10.622 0.153 12.441 356 H ILE 45 HN ILE 45 13.680 1.574 5.151 357 HA ILE 45 HA ILE 45 13.632 -1.211 4.377 358 HB ILE 45 HB ILE 45 14.214 1.376 2.935 359 HG12 ILE 45 HG12 ILE 45 11.862 1.002 3.506 360 HG13 ILE 45 HG11 ILE 45 12.113 0.952 1.767 361 HG21 ILE 45 HG21 ILE 45 15.575 -0.416 1.967 362 HG22 ILE 45 HG22 ILE 45 14.380 0.228 0.864 363 HG23 ILE 45 HG23 ILE 45 14.112 -1.342 1.625 364 HD11 ILE 45 HD11 ILE 45 11.771 -1.460 3.566 365 HD12 ILE 45 HD12 ILE 45 12.036 -1.456 1.807 366 HD13 ILE 45 HD13 ILE 45 10.562 -0.768 2.475 367 HA PRO 46 HA PRO 46 18.038 -1.799 5.055 368 HB2 PRO 46 HB2 PRO 46 18.407 -4.003 3.524 369 HB3 PRO 46 HB1 PRO 46 17.541 -4.055 5.067 370 HG2 PRO 46 HG2 PRO 46 16.438 -3.887 2.289 371 HG3 PRO 46 HG1 PRO 46 15.948 -4.954 3.620 372 HD2 PRO 46 HD2 PRO 46 14.597 -2.719 3.021 373 HD3 PRO 46 HD1 PRO 46 14.777 -3.283 4.694 374 H TRP 47 HN TRP 47 19.829 -2.823 3.282 375 HA TRP 47 HA TRP 47 20.911 -0.675 2.048 376 HB2 TRP 47 HB2 TRP 47 22.471 -2.201 0.877 377 HB3 TRP 47 HB1 TRP 47 22.249 -2.617 2.566 378 HD1 TRP 47 HD1 TRP 47 21.745 -3.974 -0.961 379 HE1 TRP 47 HE1 TRP 47 21.076 -6.461 -0.841 380 HE3 TRP 47 HE3 TRP 47 21.013 -4.398 4.087 381 HZ2 TRP 47 HZ2 TRP 47 20.356 -8.342 1.117 382 HZ3 TRP 47 HZ3 TRP 47 20.342 -6.582 4.997 383 HH2 TRP 47 HH2 TRP 47 20.022 -8.508 3.542 384 H GLY 48 HN GLY 48 19.188 -3.161 0.154 385 HA2 GLY 48 HA3 GLY 48 18.104 -1.230 -1.636 386 HA3 GLY 48 HA2 GLY 48 19.528 -1.983 -2.342 387 H SER 49 HN SER 49 17.420 -3.636 -0.157 388 HA SER 49 HA SER 49 17.094 -5.854 -1.896 389 HB2 SER 49 HB2 SER 49 15.707 -5.115 0.652 390 HB3 SER 49 HB1 SER 49 15.841 -6.742 -0.038 391 HG SER 49 HG SER 49 18.045 -6.679 0.311 392 H MET 50 HN MET 50 15.462 -2.902 -1.621 393 HA MET 50 HA MET 50 12.806 -3.979 -2.206 394 HB2 MET 50 HB2 MET 50 11.982 -1.862 -1.518 395 HB3 MET 50 HB1 MET 50 13.193 -2.343 -0.343 396 HG2 MET 50 HG2 MET 50 13.461 -0.278 -2.510 397 HG3 MET 50 HG1 MET 50 13.388 -0.010 -0.796 398 HE1 MET 50 HE1 MET 50 15.666 1.233 -2.720 399 HE2 MET 50 HE2 MET 50 17.081 1.046 -1.681 400 HE3 MET 50 HE3 MET 50 15.546 1.571 -0.995 401 H GLU 51 HN GLU 51 15.485 -3.010 -3.715 402 HA GLU 51 HA GLU 51 14.311 -1.397 -5.830 403 HB2 GLU 51 HB3 GLU 51 16.406 -1.024 -4.559 404 HB3 GLU 51 HB2 GLU 51 17.104 -2.399 -5.383 405 HG2 GLU 51 HG3 GLU 51 17.864 -0.443 -6.457 406 HG3 GLU 51 HG2 GLU 51 16.717 -1.248 -7.540 407 H LYS 52 HN LYS 52 15.017 -4.583 -5.011 408 HA LYS 52 HA LYS 52 14.999 -5.563 -7.798 409 HB2 LYS 52 HB2 LYS 52 16.168 -6.787 -5.284 410 HB3 LYS 52 HB1 LYS 52 16.152 -7.560 -6.862 411 HG2 LYS 52 HG2 LYS 52 17.497 -4.925 -6.326 412 HG3 LYS 52 HG1 LYS 52 18.321 -6.478 -6.203 413 HD2 LYS 52 HD2 LYS 52 16.865 -5.638 -8.694 414 HD3 LYS 52 HD1 LYS 52 18.542 -5.201 -8.413 415 HE2 LYS 52 HE2 LYS 52 17.450 -8.015 -8.469 416 HE3 LYS 52 HE1 LYS 52 18.329 -7.231 -9.775 417 HZ1 LYS 52 HZ1 LYS 52 19.402 -7.825 -7.067 418 HZ2 LYS 52 HZ2 LYS 52 20.229 -7.000 -8.272 419 HZ3 LYS 52 HZ3 LYS 52 19.802 -8.611 -8.500 420 H ALA 53 HN ALA 53 12.884 -4.801 -5.899 421 HA ALA 53 HA ALA 53 11.642 -7.370 -5.276 422 HB1 ALA 53 HB1 ALA 53 11.990 -5.956 -3.377 423 HB2 ALA 53 HB2 ALA 53 10.251 -5.942 -3.724 424 HB3 ALA 53 HB3 ALA 53 11.291 -4.587 -4.202 425 H GLY 54 HN GLY 54 9.666 -7.896 -6.233 426 HA2 GLY 54 HA3 GLY 54 8.598 -6.059 -8.206 427 HA3 GLY 54 HA2 GLY 54 8.335 -7.811 -8.076 428 HA PRO 55 HA PRO 55 4.670 -5.375 -6.286 429 HB2 PRO 55 HB2 PRO 55 3.441 -7.815 -7.453 430 HB3 PRO 55 HB1 PRO 55 2.863 -6.145 -7.472 431 HG2 PRO 55 HG2 PRO 55 3.952 -7.221 -9.656 432 HG3 PRO 55 HG1 PRO 55 4.266 -5.534 -9.213 433 HD2 PRO 55 HD2 PRO 55 6.098 -7.910 -8.934 434 HD3 PRO 55 HD1 PRO 55 6.462 -6.212 -9.280 435 H LEU 56 HN LEU 56 5.231 -8.846 -6.385 436 HA LEU 56 HA LEU 56 3.824 -9.460 -3.967 437 HB2 LEU 56 HB2 LEU 56 4.175 -11.091 -5.761 438 HB3 LEU 56 HB1 LEU 56 5.898 -11.040 -5.482 439 HG LEU 56 HG LEU 56 5.497 -11.950 -3.201 440 HD11 LEU 56 HD11 LEU 56 2.694 -12.314 -4.232 441 HD12 LEU 56 HD12 LEU 56 3.199 -11.263 -2.909 442 HD13 LEU 56 HD13 LEU 56 3.348 -13.014 -2.748 443 HD21 LEU 56 HD21 LEU 56 6.203 -13.320 -5.059 444 HD22 LEU 56 HD22 LEU 56 4.525 -13.573 -5.535 445 HD23 LEU 56 HD23 LEU 56 5.117 -14.229 -4.002 446 H GLU 57 HN GLU 57 7.262 -9.131 -4.763 447 HA GLU 57 HA GLU 57 8.144 -9.607 -2.131 448 HB2 GLU 57 HB3 GLU 57 9.440 -8.576 -4.586 449 HB3 GLU 57 HB2 GLU 57 10.241 -8.295 -3.046 450 HG2 GLU 57 HG3 GLU 57 9.382 -10.977 -4.084 451 HG3 GLU 57 HG2 GLU 57 11.028 -10.330 -4.152 452 H MET 58 HN MET 58 7.006 -6.806 -3.703 453 HA MET 58 HA MET 58 7.874 -4.911 -1.772 454 HB2 MET 58 HB2 MET 58 5.575 -4.907 -3.721 455 HB3 MET 58 HB1 MET 58 5.955 -3.521 -2.710 456 HG2 MET 58 HG2 MET 58 8.029 -4.776 -4.401 457 HG3 MET 58 HG1 MET 58 6.896 -3.679 -5.179 458 HE1 MET 58 HE1 MET 58 8.896 -2.262 -6.037 459 HE2 MET 58 HE2 MET 58 10.039 -3.364 -5.292 460 HE3 MET 58 HE3 MET 58 10.190 -1.631 -5.017 461 H ALA 59 HN ALA 59 4.824 -6.650 -2.270 462 HA ALA 59 HA ALA 59 3.532 -5.730 0.009 463 HB1 ALA 59 HB1 ALA 59 3.301 -8.434 -1.298 464 HB2 ALA 59 HB2 ALA 59 2.435 -6.976 -1.776 465 HB3 ALA 59 HB3 ALA 59 2.119 -7.714 -0.205 466 H GLN 60 HN GLN 60 5.590 -8.519 -0.465 467 HA GLN 60 HA GLN 60 5.451 -9.367 2.245 468 HB2 GLN 60 HB2 GLN 60 7.322 -10.201 0.020 469 HB3 GLN 60 HB1 GLN 60 7.161 -11.032 1.563 470 HG2 GLN 60 HG2 GLN 60 4.805 -11.465 1.095 471 HG3 GLN 60 HG1 GLN 60 4.951 -10.604 -0.417 472 HE21 GLN 60 HE21 GLN 60 7.582 -11.784 -1.141 473 HE22 GLN 60 HE22 GLN 60 7.229 -13.415 -1.538 474 H LEU 61 HN LEU 61 7.058 -6.877 0.827 475 HA LEU 61 HA LEU 61 9.469 -6.846 2.456 476 HB2 LEU 61 HB2 LEU 61 9.252 -5.891 0.099 477 HB3 LEU 61 HB1 LEU 61 8.222 -4.670 0.814 478 HG LEU 61 HG LEU 61 10.191 -3.994 2.223 479 HD11 LEU 61 HD11 LEU 61 11.627 -5.679 0.193 480 HD12 LEU 61 HD12 LEU 61 11.528 -6.028 1.922 481 HD13 LEU 61 HD13 LEU 61 12.394 -4.596 1.356 482 HD21 LEU 61 HD21 LEU 61 10.304 -3.740 -0.772 483 HD22 LEU 61 HD22 LEU 61 11.137 -2.702 0.382 484 HD23 LEU 61 HD23 LEU 61 9.375 -2.728 0.338 485 H LEU 62 HN LEU 62 6.686 -4.658 1.920 486 HA LEU 62 HA LEU 62 7.162 -3.137 4.201 487 HB2 LEU 62 HB2 LEU 62 4.565 -3.433 2.665 488 HB3 LEU 62 HB1 LEU 62 4.838 -2.256 3.919 489 HG LEU 62 HG LEU 62 4.965 -1.060 1.930 490 HD11 LEU 62 HD11 LEU 62 7.786 -1.633 2.669 491 HD12 LEU 62 HD12 LEU 62 6.712 -0.385 3.321 492 HD13 LEU 62 HD13 LEU 62 7.241 -0.306 1.644 493 HD21 LEU 62 HD21 LEU 62 6.288 -1.657 -0.014 494 HD22 LEU 62 HD22 LEU 62 5.067 -2.882 0.385 495 HD23 LEU 62 HD23 LEU 62 6.753 -3.155 0.795 496 H ILE 63 HN ILE 63 5.217 -6.051 3.705 497 HA ILE 63 HA ILE 63 3.815 -5.922 6.144 498 HB ILE 63 HB ILE 63 3.549 -7.437 3.958 499 HG12 ILE 63 HG12 ILE 63 1.941 -7.215 5.789 500 HG13 ILE 63 HG11 ILE 63 1.916 -8.812 5.075 501 HG21 ILE 63 HG21 ILE 63 5.004 -9.331 5.781 502 HG22 ILE 63 HG22 ILE 63 5.579 -8.719 4.240 503 HG23 ILE 63 HG23 ILE 63 4.165 -9.780 4.292 504 HD11 ILE 63 HD11 ILE 63 1.678 -8.991 7.466 505 HD12 ILE 63 HD12 ILE 63 3.121 -8.010 7.715 506 HD13 ILE 63 HD13 ILE 63 3.265 -9.622 7.010 507 H THR 64 HN THR 64 7.033 -6.939 5.368 508 HA THR 64 HA THR 64 7.387 -8.316 7.877 509 HB THR 64 HB THR 64 9.366 -7.758 5.654 510 HG1 THR 64 HG1 THR 64 8.122 -9.214 4.734 511 HG21 THR 64 HG21 THR 64 10.429 -8.233 7.845 512 HG22 THR 64 HG22 THR 64 10.705 -9.526 6.686 513 HG23 THR 64 HG23 THR 64 9.495 -9.723 7.957 514 H HIS 65 HN HIS 65 8.372 -5.322 6.323 515 HA HIS 65 HA HIS 65 10.093 -4.581 8.475 516 HB2 HIS 65 HB2 HIS 65 9.168 -3.075 6.057 517 HB3 HIS 65 HB1 HIS 65 10.168 -2.339 7.307 518 HD1 HIS 65 HD1 HIS 65 12.581 -3.606 7.714 519 HD2 HIS 65 HD2 HIS 65 10.512 -4.535 4.230 520 HE1 HIS 65 HE1 HIS 65 14.214 -4.766 6.229 521 H PHE 66 HN PHE 66 6.945 -3.442 7.376 522 HA PHE 66 HA PHE 66 6.617 -1.841 9.763 523 HB2 PHE 66 HB2 PHE 66 4.794 -2.271 7.399 524 HB3 PHE 66 HB1 PHE 66 4.570 -1.073 8.673 525 HD1 PHE 66 HD2 PHE 66 6.675 -2.123 5.901 526 HD2 PHE 66 HD1 PHE 66 5.788 0.939 8.673 527 HE1 PHE 66 HE2 PHE 66 8.160 -0.650 4.687 528 HE2 PHE 66 HE1 PHE 66 7.290 2.452 7.465 529 HZ PHE 66 HZ PHE 66 8.490 1.611 5.439 530 H GLY 67 HN GLY 67 4.283 -3.942 8.170 531 HA2 GLY 67 HA3 GLY 67 3.912 -5.877 10.020 532 HA3 GLY 67 HA2 GLY 67 3.000 -4.492 10.635 533 HA PRO 68 HA PRO 68 0.669 -6.976 7.354 534 HB2 PRO 68 HB2 PRO 68 -1.584 -7.290 8.931 535 HB3 PRO 68 HB1 PRO 68 -0.317 -8.497 8.728 536 HG2 PRO 68 HG2 PRO 68 -0.724 -6.527 10.931 537 HG3 PRO 68 HG1 PRO 68 -0.169 -8.212 11.019 538 HD2 PRO 68 HD2 PRO 68 1.503 -6.122 11.243 539 HD3 PRO 68 HD1 PRO 68 2.010 -7.622 10.455 540 H GLU 69 HN GLU 69 -0.837 -4.747 9.677 541 HA GLU 69 HA GLU 69 -2.580 -3.756 7.579 542 HB2 GLU 69 HB3 GLU 69 -2.377 -3.038 10.494 543 HB3 GLU 69 HB2 GLU 69 -3.618 -2.479 9.387 544 HG2 GLU 69 HG3 GLU 69 -4.466 -4.691 9.104 545 HG3 GLU 69 HG2 GLU 69 -3.131 -5.368 10.040 546 H GLU 70 HN GLU 70 0.265 -2.878 9.306 547 HA GLU 70 HA GLU 70 0.190 -0.120 8.724 548 HB2 GLU 70 HB3 GLU 70 1.589 -1.231 10.490 549 HB3 GLU 70 HB2 GLU 70 2.664 -1.779 9.208 550 HG2 GLU 70 HG3 GLU 70 3.544 0.214 10.236 551 HG3 GLU 70 HG2 GLU 70 3.054 0.572 8.580 552 H ALA 71 HN ALA 71 1.805 -2.894 7.189 553 HA ALA 71 HA ALA 71 2.955 -1.661 4.976 554 HB1 ALA 71 HB1 ALA 71 2.706 -3.820 3.853 555 HB2 ALA 71 HB2 ALA 71 1.591 -4.346 5.114 556 HB3 ALA 71 HB3 ALA 71 3.274 -4.006 5.506 557 H TRP 72 HN TRP 72 -0.317 -2.822 5.490 558 HA TRP 72 HA TRP 72 -1.262 -2.322 2.931 559 HB2 TRP 72 HB2 TRP 72 -2.507 -3.770 4.422 560 HB3 TRP 72 HB1 TRP 72 -2.750 -2.454 5.565 561 HD1 TRP 72 HD1 TRP 72 -5.276 -1.942 5.505 562 HE1 TRP 72 HE1 TRP 72 -6.990 -1.439 3.632 563 HE3 TRP 72 HE3 TRP 72 -2.350 -2.814 1.427 564 HZ2 TRP 72 HZ2 TRP 72 -7.059 -1.397 0.879 565 HZ3 TRP 72 HZ3 TRP 72 -3.322 -2.529 -0.813 566 HH2 TRP 72 HH2 TRP 72 -5.637 -1.834 -1.079 567 H ARG 73 HN ARG 73 -1.279 -0.310 5.818 568 HA ARG 73 HA ARG 73 -2.631 1.790 4.583 569 HB2 ARG 73 HB2 ARG 73 -2.489 1.619 7.031 570 HB3 ARG 73 HB1 ARG 73 -0.765 1.922 6.961 571 HG2 ARG 73 HG2 ARG 73 -1.141 4.153 6.095 572 HG3 ARG 73 HG1 ARG 73 -2.876 3.869 6.056 573 HD2 ARG 73 HD2 ARG 73 -2.289 5.184 7.990 574 HD3 ARG 73 HD1 ARG 73 -2.870 3.605 8.491 575 HE ARG 73 HE ARG 73 -0.370 3.039 8.715 576 HH11 ARG 73 HH11 ARG 73 -1.455 6.380 9.030 577 HH12 ARG 73 HH12 ARG 73 -0.400 6.738 10.324 578 HH21 ARG 73 HH21 ARG 73 1.035 3.500 10.371 579 HH22 ARG 73 HH22 ARG 73 1.107 5.042 11.126 580 H LEU 74 HN LEU 74 0.818 1.169 5.086 581 HA LEU 74 HA LEU 74 1.864 3.479 3.964 582 HB2 LEU 74 HB2 LEU 74 2.880 0.746 4.476 583 HB3 LEU 74 HB1 LEU 74 3.767 1.683 3.304 584 HG LEU 74 HG LEU 74 4.722 1.745 5.620 585 HD11 LEU 74 HD11 LEU 74 5.076 4.169 5.712 586 HD12 LEU 74 HD12 LEU 74 3.831 4.388 4.480 587 HD13 LEU 74 HD13 LEU 74 5.310 3.501 4.108 588 HD21 LEU 74 HD21 LEU 74 2.617 1.750 6.879 589 HD22 LEU 74 HD22 LEU 74 2.265 3.369 6.269 590 HD23 LEU 74 HD23 LEU 74 3.653 3.106 7.323 591 H ALA 75 HN ALA 75 0.652 0.597 2.383 592 HA ALA 75 HA ALA 75 1.606 1.428 -0.191 593 HB1 ALA 75 HB1 ALA 75 1.203 -0.927 0.272 594 HB2 ALA 75 HB2 ALA 75 0.266 -0.350 -1.101 595 HB3 ALA 75 HB3 ALA 75 -0.519 -0.591 0.463 596 H LEU 76 HN LEU 76 -1.682 1.346 1.186 597 HA LEU 76 HA LEU 76 -2.746 2.565 -1.097 598 HB2 LEU 76 HB2 LEU 76 -4.845 2.813 0.093 599 HB3 LEU 76 HB1 LEU 76 -4.155 1.244 0.405 600 HG LEU 76 HG LEU 76 -3.318 2.377 2.624 601 HD11 LEU 76 HD11 LEU 76 -5.682 4.063 1.914 602 HD12 LEU 76 HD12 LEU 76 -4.017 4.631 2.081 603 HD13 LEU 76 HD13 LEU 76 -4.898 4.025 3.497 604 HD21 LEU 76 HD21 LEU 76 -4.845 0.516 2.535 605 HD22 LEU 76 HD22 LEU 76 -6.182 1.604 2.172 606 HD23 LEU 76 HD23 LEU 76 -5.371 1.691 3.740 607 H SER 77 HN SER 77 -1.539 3.999 1.845 608 HA SER 77 HA SER 77 -2.499 6.616 1.295 609 HB2 SER 77 HB2 SER 77 -1.932 5.669 3.549 610 HB3 SER 77 HB1 SER 77 -0.238 5.725 3.111 611 HG SER 77 HG SER 77 -1.816 8.056 2.953 612 H THR 78 HN THR 78 0.318 4.795 0.256 613 HA THR 78 HA THR 78 1.627 7.201 -0.608 614 HB THR 78 HB THR 78 2.376 4.295 -1.042 615 HG1 THR 78 HG1 THR 78 2.835 4.552 0.987 616 HG21 THR 78 HG21 THR 78 4.610 5.194 -1.602 617 HG22 THR 78 HG22 THR 78 3.962 6.833 -1.498 618 HG23 THR 78 HG23 THR 78 3.384 5.732 -2.752 619 H PHE 79 HN PHE 79 -0.443 4.704 -1.888 620 HA PHE 79 HA PHE 79 -0.084 4.967 -4.612 621 HB2 PHE 79 HB2 PHE 79 -2.708 4.587 -3.149 622 HB3 PHE 79 HB1 PHE 79 -2.526 4.431 -4.886 623 HD1 PHE 79 HD1 PHE 79 0.347 3.039 -4.300 624 HD2 PHE 79 HD2 PHE 79 -3.694 2.370 -3.154 625 HE1 PHE 79 HE1 PHE 79 0.834 0.690 -3.982 626 HE2 PHE 79 HE2 PHE 79 -3.212 -0.010 -2.827 627 HZ PHE 79 HZ PHE 79 -0.945 -0.868 -3.244 628 H GLU 80 HN GLU 80 -2.319 6.792 -2.553 629 HA GLU 80 HA GLU 80 -3.224 8.442 -4.645 630 HB2 GLU 80 HB3 GLU 80 -4.174 9.888 -2.850 631 HB3 GLU 80 HB2 GLU 80 -4.583 8.191 -2.704 632 HG2 GLU 80 HG3 GLU 80 -3.536 7.993 -0.754 633 HG3 GLU 80 HG2 GLU 80 -2.204 9.042 -1.237 634 H ARG 81 HN ARG 81 -0.377 8.613 -2.754 635 HA ARG 81 HA ARG 81 -0.055 11.422 -3.370 636 HB2 ARG 81 HB2 ARG 81 1.525 9.604 -1.564 637 HB3 ARG 81 HB1 ARG 81 1.897 11.313 -1.824 638 HG2 ARG 81 HG2 ARG 81 -0.212 11.990 -1.007 639 HG3 ARG 81 HG1 ARG 81 -0.789 10.333 -0.928 640 HD2 ARG 81 HD2 ARG 81 0.901 9.912 0.812 641 HD3 ARG 81 HD1 ARG 81 1.314 11.630 0.767 642 HE ARG 81 HE ARG 81 -1.491 11.007 1.115 643 HH11 ARG 81 HH11 ARG 81 1.532 11.670 2.868 644 HH12 ARG 81 HH12 ARG 81 0.731 12.428 4.178 645 HH21 ARG 81 HH21 ARG 81 -2.543 12.022 2.965 646 HH22 ARG 81 HH22 ARG 81 -1.605 12.604 4.248 647 H ILE 82 HN ILE 82 0.809 8.492 -4.703 648 HA ILE 82 HA ILE 82 2.864 9.850 -6.275 649 HB ILE 82 HB ILE 82 3.422 7.650 -7.249 650 HG12 ILE 82 HG12 ILE 82 1.409 6.508 -5.286 651 HG13 ILE 82 HG11 ILE 82 1.191 6.580 -7.029 652 HG21 ILE 82 HG21 ILE 82 4.659 8.392 -5.356 653 HG22 ILE 82 HG22 ILE 82 4.432 6.647 -5.247 654 HG23 ILE 82 HG23 ILE 82 3.457 7.732 -4.241 655 HD11 ILE 82 HD11 ILE 82 3.303 5.003 -5.570 656 HD12 ILE 82 HD12 ILE 82 3.089 5.061 -7.319 657 HD13 ILE 82 HD13 ILE 82 1.837 4.349 -6.302 658 H ASN 83 HN ASN 83 -0.061 10.164 -6.238 659 HA ASN 83 HA ASN 83 -1.650 10.849 -7.620 660 HB2 ASN 83 HB3 ASN 83 0.400 10.425 -9.808 661 HB3 ASN 83 HB2 ASN 83 -1.169 11.194 -10.028 662 HD21 ASN 83 HD21 ASN 83 -1.161 12.643 -7.519 663 HD22 ASN 83 HD22 ASN 83 0.028 13.869 -7.643 664 H ARG 84 HN ARG 84 -1.543 8.218 -6.785 665 HA ARG 84 HA ARG 84 -3.200 7.034 -8.862 666 HB2 ARG 84 HB2 ARG 84 -1.075 5.785 -8.694 667 HB3 ARG 84 HB1 ARG 84 -1.280 5.642 -6.966 668 HG2 ARG 84 HG2 ARG 84 -1.761 3.579 -8.337 669 HG3 ARG 84 HG1 ARG 84 -3.019 4.065 -7.195 670 HD2 ARG 84 HD2 ARG 84 -3.936 3.404 -9.367 671 HD3 ARG 84 HD1 ARG 84 -4.265 5.077 -8.914 672 HE ARG 84 HE ARG 84 -2.040 5.301 -10.418 673 HH11 ARG 84 HH11 ARG 84 -5.158 3.679 -11.124 674 HH12 ARG 84 HH12 ARG 84 -5.023 3.969 -12.784 675 HH21 ARG 84 HH21 ARG 84 -1.927 5.675 -12.664 676 HH22 ARG 84 HH22 ARG 84 -3.165 5.114 -13.696 677 H LYS 85 HN LYS 85 -4.696 8.471 -7.595 678 HA LYS 85 HA LYS 85 -5.432 7.636 -4.928 679 HB2 LYS 85 HB2 LYS 85 -5.519 10.013 -5.694 680 HB3 LYS 85 HB1 LYS 85 -6.789 9.579 -6.821 681 HG2 LYS 85 HG2 LYS 85 -8.250 8.965 -4.983 682 HG3 LYS 85 HG1 LYS 85 -6.959 9.317 -3.835 683 HD2 LYS 85 HD2 LYS 85 -8.177 11.345 -5.705 684 HD3 LYS 85 HD1 LYS 85 -8.663 11.128 -4.026 685 HE2 LYS 85 HE2 LYS 85 -5.868 11.866 -4.932 686 HE3 LYS 85 HE1 LYS 85 -7.085 13.005 -4.384 687 HZ1 LYS 85 HZ1 LYS 85 -5.520 12.438 -2.660 688 HZ2 LYS 85 HZ2 LYS 85 -5.964 10.823 -2.635 689 HZ3 LYS 85 HZ3 LYS 85 -7.062 12.020 -2.212 690 H ASP 86 HN ASP 86 -6.188 7.003 -8.127 691 HA ASP 86 HA ASP 86 -8.667 5.930 -8.226 692 HB2 ASP 86 HB2 ASP 86 -7.642 6.029 -10.262 693 HB3 ASP 86 HB1 ASP 86 -6.101 5.476 -9.645 694 H LEU 87 HN LEU 87 -5.703 4.156 -7.380 695 HA LEU 87 HA LEU 87 -7.232 1.826 -6.632 696 HB2 LEU 87 HB2 LEU 87 -4.287 2.402 -6.405 697 HB3 LEU 87 HB1 LEU 87 -5.021 0.893 -5.917 698 HG LEU 87 HG LEU 87 -5.088 1.966 -8.729 699 HD11 LEU 87 HD11 LEU 87 -3.361 0.309 -9.184 700 HD12 LEU 87 HD12 LEU 87 -3.313 -0.124 -7.473 701 HD13 LEU 87 HD13 LEU 87 -2.802 1.481 -7.991 702 HD21 LEU 87 HD21 LEU 87 -5.762 -0.733 -7.563 703 HD22 LEU 87 HD22 LEU 87 -5.699 -0.355 -9.277 704 HD23 LEU 87 HD23 LEU 87 -6.906 0.423 -8.248 705 H TRP 88 HN TRP 88 -5.921 4.563 -5.089 706 HA TRP 88 HA TRP 88 -5.609 3.697 -2.465 707 HB2 TRP 88 HB2 TRP 88 -4.824 5.844 -3.162 708 HB3 TRP 88 HB1 TRP 88 -6.425 6.334 -3.643 709 HD1 TRP 88 HD1 TRP 88 -4.618 5.427 -0.310 710 HE1 TRP 88 HE1 TRP 88 -5.624 6.890 1.569 711 HE3 TRP 88 HE3 TRP 88 -8.226 7.831 -2.965 712 HZ2 TRP 88 HZ2 TRP 88 -7.652 8.788 1.883 713 HZ3 TRP 88 HZ3 TRP 88 -9.647 9.449 -1.832 714 HH2 TRP 88 HH2 TRP 88 -9.375 9.929 0.562 715 H GLU 89 HN GLU 89 -8.452 5.093 -4.048 716 HA GLU 89 HA GLU 89 -10.213 4.895 -1.854 717 HB2 GLU 89 HB3 GLU 89 -10.879 4.854 -4.785 718 HB3 GLU 89 HB2 GLU 89 -11.992 5.237 -3.481 719 HG2 GLU 89 HG3 GLU 89 -10.601 7.198 -2.935 720 HG3 GLU 89 HG2 GLU 89 -9.569 6.797 -4.310 721 H ARG 90 HN ARG 90 -9.225 2.633 -4.268 722 HA ARG 90 HA ARG 90 -11.351 0.747 -3.786 723 HB2 ARG 90 HB2 ARG 90 -8.738 0.350 -5.236 724 HB3 ARG 90 HB1 ARG 90 -10.100 -0.759 -5.247 725 HG2 ARG 90 HG2 ARG 90 -11.450 1.126 -6.275 726 HG3 ARG 90 HG1 ARG 90 -9.927 1.985 -6.438 727 HD2 ARG 90 HD2 ARG 90 -10.464 0.856 -8.503 728 HD3 ARG 90 HD1 ARG 90 -9.023 0.149 -7.763 729 HE ARG 90 HE ARG 90 -11.160 -1.358 -6.885 730 HH11 ARG 90 HH11 ARG 90 -9.742 -0.549 -10.021 731 HH12 ARG 90 HH12 ARG 90 -10.164 -2.012 -10.758 732 HH21 ARG 90 HH21 ARG 90 -11.800 -3.407 -7.936 733 HH22 ARG 90 HH22 ARG 90 -11.330 -3.670 -9.549 734 H GLY 91 HN GLY 91 -8.317 1.480 -2.491 735 HA2 GLY 91 HA3 GLY 91 -7.879 -1.031 -1.173 736 HA3 GLY 91 HA2 GLY 91 -7.007 0.489 -0.902 737 H GLN 92 HN GLN 92 -7.555 1.814 0.643 738 HA GLN 92 HA GLN 92 -8.286 2.453 2.686 739 HB2 GLN 92 HB2 GLN 92 -10.854 1.907 1.238 740 HB3 GLN 92 HB1 GLN 92 -10.735 2.840 2.728 741 HG2 GLN 92 HG2 GLN 92 -9.267 3.510 0.203 742 HG3 GLN 92 HG1 GLN 92 -10.822 4.207 0.645 743 HE21 GLN 92 HE21 GLN 92 -10.921 5.645 2.296 744 HE22 GLN 92 HE22 GLN 92 -9.541 6.380 3.029 745 H ARG 93 HN ARG 93 -10.249 1.988 4.279 746 HA ARG 93 HA ARG 93 -10.643 -0.825 4.703 747 HB2 ARG 93 HB2 ARG 93 -8.593 -0.178 6.040 748 HB3 ARG 93 HB1 ARG 93 -9.592 0.983 6.899 749 HG2 ARG 93 HG2 ARG 93 -9.376 -0.998 8.242 750 HG3 ARG 93 HG1 ARG 93 -11.038 -0.846 7.635 751 HD2 ARG 93 HD2 ARG 93 -10.594 -2.426 5.877 752 HD3 ARG 93 HD1 ARG 93 -8.905 -2.529 6.345 753 HE ARG 93 HE ARG 93 -10.298 -3.270 8.574 754 HH11 ARG 93 HH11 ARG 93 -10.248 -4.350 5.229 755 HH12 ARG 93 HH12 ARG 93 -10.547 -5.986 5.577 756 HH21 ARG 93 HH21 ARG 93 -10.703 -5.567 9.099 757 HH22 ARG 93 HH22 ARG 93 -10.773 -6.703 7.842 758 H GLU 94 HN GLU 94 -11.014 2.214 6.534 759 HA GLU 94 HA GLU 94 -13.787 2.048 5.954 760 HB2 GLU 94 HB3 GLU 94 -14.338 2.503 8.401 761 HB3 GLU 94 HB2 GLU 94 -13.818 0.885 7.977 762 HG2 GLU 94 HG3 GLU 94 -11.505 1.609 8.763 763 HG3 GLU 94 HG2 GLU 94 -12.320 3.001 9.480 764 H ASP 95 HN ASP 95 -13.985 3.752 4.829 765 HA ASP 95 HA ASP 95 -12.421 6.064 4.807 766 HB2 ASP 95 HB2 ASP 95 -15.156 5.566 3.660 767 HB3 ASP 95 HB1 ASP 95 -14.248 7.040 3.391 768 H LEU 96 HN LEU 96 -12.897 8.154 5.160 769 HA LEU 96 HA LEU 96 -13.439 9.997 6.281 770 HB2 LEU 96 HB2 LEU 96 -15.567 9.709 5.155 771 HB3 LEU 96 HB1 LEU 96 -16.160 8.723 6.472 772 HG LEU 96 HG LEU 96 -15.994 10.684 7.981 773 HD11 LEU 96 HD11 LEU 96 -14.255 11.911 6.822 774 HD12 LEU 96 HD12 LEU 96 -15.696 12.907 7.016 775 HD13 LEU 96 HD13 LEU 96 -15.337 12.170 5.454 776 HD21 LEU 96 HD21 LEU 96 -18.104 10.139 6.914 777 HD22 LEU 96 HD22 LEU 96 -17.656 11.100 5.504 778 HD23 LEU 96 HD23 LEU 96 -17.913 11.885 7.062 779 H VAL 97 HN VAL 97 -12.635 10.574 8.105 780 HA VAL 97 HA VAL 97 -11.985 10.688 10.221 781 HB VAL 97 HB VAL 97 -14.532 9.151 10.801 782 HG11 VAL 97 HG11 VAL 97 -14.297 9.958 13.130 783 HG12 VAL 97 HG12 VAL 97 -12.725 10.646 12.718 784 HG13 VAL 97 HG13 VAL 97 -12.964 8.900 12.664 785 HG21 VAL 97 HG21 VAL 97 -15.402 11.358 11.503 786 HG22 VAL 97 HG22 VAL 97 -14.967 11.292 9.794 787 HG23 VAL 97 HG23 VAL 97 -13.901 12.093 10.944 788 H ARG 98 HN ARG 98 -10.353 9.713 11.175 789 HA ARG 98 HA ARG 98 -8.750 8.182 11.623 790 HB2 ARG 98 HB2 ARG 98 -10.983 6.141 11.355 791 HB3 ARG 98 HB1 ARG 98 -9.377 5.781 11.964 792 HG2 ARG 98 HG2 ARG 98 -9.737 7.204 13.872 793 HG3 ARG 98 HG1 ARG 98 -11.297 7.718 13.221 794 HD2 ARG 98 HD2 ARG 98 -10.561 4.895 13.991 795 HD3 ARG 98 HD1 ARG 98 -11.547 5.985 14.964 796 HE ARG 98 HE ARG 98 -13.043 6.027 12.925 797 HH11 ARG 98 HH11 ARG 98 -11.228 3.177 13.973 798 HH12 ARG 98 HH12 ARG 98 -12.204 2.076 13.136 799 HH21 ARG 98 HH21 ARG 98 -14.388 4.482 11.794 800 HH22 ARG 98 HH22 ARG 98 -13.998 2.814 11.831 801 H ASP 99 HN ASP 99 -9.661 8.975 8.993 802 HA ASP 99 HA ASP 99 -8.680 6.840 7.252 803 HB2 ASP 99 HB2 ASP 99 -10.724 7.703 6.442 804 HB3 ASP 99 HB1 ASP 99 -10.266 9.358 6.783 805 H THR 100 HN THR 100 -8.346 10.357 7.219 806 HA THR 100 HA THR 100 -5.567 10.026 6.376 807 HB THR 100 HB THR 100 -6.227 12.597 5.776 808 HG1 THR 100 HG1 THR 100 -8.518 11.073 5.133 809 HG21 THR 100 HG21 THR 100 -6.562 11.780 3.469 810 HG22 THR 100 HG22 THR 100 -6.767 10.141 4.083 811 HG23 THR 100 HG23 THR 100 -5.208 10.952 4.242 812 H VAL 101 HN VAL 101 -6.813 10.223 9.145 813 HA VAL 101 HA VAL 101 -4.969 12.270 10.163 814 HB VAL 101 HB VAL 101 -6.541 12.776 12.014 815 HG11 VAL 101 HG11 VAL 101 -8.203 14.063 10.752 816 HG12 VAL 101 HG12 VAL 101 -7.758 13.181 9.292 817 HG13 VAL 101 HG13 VAL 101 -6.580 14.228 10.079 818 HG21 VAL 101 HG21 VAL 101 -8.893 12.027 11.882 819 HG22 VAL 101 HG22 VAL 101 -7.762 10.695 12.115 820 HG23 VAL 101 HG23 VAL 101 -8.460 10.980 10.526 821 H GLU 102 HN GLU 102 -5.064 9.297 9.725 822 HA GLU 102 HA GLU 102 -4.561 7.300 10.630 823 HB2 GLU 102 HB3 GLU 102 -3.237 8.866 12.835 824 HB3 GLU 102 HB2 GLU 102 -2.889 7.226 12.350 825 HG2 GLU 102 HG3 GLU 102 -2.029 8.051 10.210 826 HG3 GLU 102 HG2 GLU 102 -2.330 9.706 10.751 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 -11.378 -9.890 18.587 2 H2 GLY 1 HT2 GLY 1 -12.924 -9.369 19.020 3 H3 GLY 1 HT3 GLY 1 -11.898 -8.374 18.081 4 HA2 GLY 1 HA2 GLY 1 -12.997 -10.965 17.214 5 HA3 GLY 1 HA3 GLY 1 -13.584 -9.387 16.701 6 H HIS 2 HN HIS 2 -12.952 -10.772 14.680 7 HA HIS 2 HA HIS 2 -11.757 -11.046 12.861 8 HB2 HIS 2 HB2 HIS 2 -10.402 -8.548 13.835 9 HB3 HIS 2 HB1 HIS 2 -9.877 -9.347 12.361 10 HD1 HIS 2 HD1 HIS 2 -12.078 -6.718 13.388 11 HD2 HIS 2 HD2 HIS 2 -12.240 -9.774 10.589 12 HE1 HIS 2 HE1 HIS 2 -13.801 -6.018 11.695 13 H MET 3 HN MET 3 -11.071 -13.038 13.287 14 HA MET 3 HA MET 3 -8.191 -13.215 13.842 15 HB2 MET 3 HB2 MET 3 -10.284 -15.414 14.016 16 HB3 MET 3 HB1 MET 3 -8.577 -15.606 14.340 17 HG2 MET 3 HG2 MET 3 -9.686 -15.568 16.427 18 HG3 MET 3 HG1 MET 3 -8.863 -14.020 16.267 19 HE1 MET 3 HE1 MET 3 -11.188 -14.694 18.399 20 HE2 MET 3 HE2 MET 3 -12.080 -13.171 18.349 21 HE3 MET 3 HE3 MET 3 -10.316 -13.168 18.310 22 H LEU 4 HN LEU 4 -10.333 -12.931 11.463 23 HA LEU 4 HA LEU 4 -8.775 -14.487 9.615 24 HB2 LEU 4 HB2 LEU 4 -10.848 -15.339 8.494 25 HB3 LEU 4 HB1 LEU 4 -10.506 -16.059 10.044 26 HG LEU 4 HG LEU 4 -12.292 -14.544 11.029 27 HD11 LEU 4 HD11 LEU 4 -13.995 -13.646 9.532 28 HD12 LEU 4 HD12 LEU 4 -12.971 -14.030 8.145 29 HD13 LEU 4 HD13 LEU 4 -12.440 -12.842 9.331 30 HD21 LEU 4 HD21 LEU 4 -14.156 -15.917 10.214 31 HD22 LEU 4 HD22 LEU 4 -12.730 -16.867 10.618 32 HD23 LEU 4 HD23 LEU 4 -13.115 -16.532 8.931 33 H ARG 5 HN ARG 5 -9.373 -13.992 7.393 34 HA ARG 5 HA ARG 5 -9.493 -12.656 5.691 35 HB2 ARG 5 HB2 ARG 5 -11.906 -12.774 6.122 36 HB3 ARG 5 HB1 ARG 5 -11.799 -11.384 7.184 37 HG2 ARG 5 HG2 ARG 5 -12.674 -10.658 5.081 38 HG3 ARG 5 HG1 ARG 5 -11.040 -10.031 5.251 39 HD2 ARG 5 HD2 ARG 5 -10.365 -12.187 3.942 40 HD3 ARG 5 HD1 ARG 5 -12.069 -12.187 3.472 41 HE ARG 5 HE ARG 5 -10.423 -9.814 3.131 42 HH11 ARG 5 HH11 ARG 5 -12.491 -12.300 1.667 43 HH12 ARG 5 HH12 ARG 5 -12.343 -11.687 0.090 44 HH21 ARG 5 HH21 ARG 5 -10.249 -8.975 1.001 45 HH22 ARG 5 HH22 ARG 5 -11.066 -9.714 -0.316 46 H THR 6 HN THR 6 -10.435 -10.025 7.838 47 HA THR 6 HA THR 6 -8.452 -8.517 6.425 48 HB THR 6 HB THR 6 -10.714 -7.548 8.178 49 HG1 THR 6 HG1 THR 6 -10.364 -8.160 5.452 50 HG21 THR 6 HG21 THR 6 -10.309 -5.357 7.121 51 HG22 THR 6 HG22 THR 6 -8.932 -6.025 6.246 52 HG23 THR 6 HG23 THR 6 -8.874 -5.883 8.001 53 H ALA 7 HN ALA 7 -6.838 -7.303 7.291 54 HA ALA 7 HA ALA 7 -5.199 -6.669 8.626 55 HB1 ALA 7 HB1 ALA 7 -5.464 -6.561 11.065 56 HB2 ALA 7 HB2 ALA 7 -6.945 -7.520 10.943 57 HB3 ALA 7 HB3 ALA 7 -6.879 -5.908 10.242 58 H GLY 8 HN GLY 8 -6.037 -9.540 7.949 59 HA2 GLY 8 HA3 GLY 8 -3.613 -10.728 9.104 60 HA3 GLY 8 HA2 GLY 8 -5.111 -11.660 8.962 61 H ARG 9 HN ARG 9 -6.056 -11.810 6.781 62 HA ARG 9 HA ARG 9 -3.989 -12.396 4.866 63 HB2 ARG 9 HB2 ARG 9 -5.871 -13.936 5.030 64 HB3 ARG 9 HB1 ARG 9 -7.000 -12.637 4.685 65 HG2 ARG 9 HG2 ARG 9 -6.204 -12.450 2.433 66 HG3 ARG 9 HG1 ARG 9 -4.887 -13.580 2.749 67 HD2 ARG 9 HD2 ARG 9 -7.821 -14.224 2.908 68 HD3 ARG 9 HD1 ARG 9 -6.771 -14.604 1.539 69 HE ARG 9 HE ARG 9 -5.443 -15.801 3.433 70 HH11 ARG 9 HH11 ARG 9 -8.959 -15.814 2.901 71 HH12 ARG 9 HH12 ARG 9 -9.219 -17.319 3.641 72 HH21 ARG 9 HH21 ARG 9 -5.808 -17.922 4.414 73 HH22 ARG 9 HH22 ARG 9 -7.390 -18.550 4.499 74 H ASP 10 HN ASP 10 -6.642 -10.080 5.223 75 HA ASP 10 HA ASP 10 -5.878 -8.673 2.843 76 HB2 ASP 10 HB2 ASP 10 -7.572 -7.586 5.112 77 HB3 ASP 10 HB1 ASP 10 -7.276 -6.801 3.596 78 H GLY 11 HN GLY 11 -3.781 -8.694 3.340 79 HA2 GLY 11 HA3 GLY 11 -2.834 -6.160 4.239 80 HA3 GLY 11 HA2 GLY 11 -2.247 -7.537 5.191 81 H LEU 12 HN LEU 12 -0.978 -9.075 4.274 82 HA LEU 12 HA LEU 12 0.874 -8.256 2.333 83 HB2 LEU 12 HB2 LEU 12 0.978 -10.100 4.185 84 HB3 LEU 12 HB1 LEU 12 0.263 -11.133 2.982 85 HG LEU 12 HG LEU 12 2.965 -9.784 2.692 86 HD11 LEU 12 HD11 LEU 12 2.278 -12.623 3.383 87 HD12 LEU 12 HD12 LEU 12 2.929 -11.427 4.494 88 HD13 LEU 12 HD13 LEU 12 3.901 -11.984 3.124 89 HD21 LEU 12 HD21 LEU 12 3.313 -11.339 0.842 90 HD22 LEU 12 HD22 LEU 12 1.904 -10.320 0.535 91 HD23 LEU 12 HD23 LEU 12 1.688 -11.987 1.069 92 H CYS 13 HN CYS 13 -1.859 -10.518 2.086 93 HA CYS 13 HA CYS 13 -1.543 -11.133 -0.652 94 HB2 CYS 13 HB2 CYS 13 -2.754 -12.530 0.921 95 HB3 CYS 13 HB1 CYS 13 -3.939 -11.242 1.141 96 HG CYS 13 HG CYS 13 -3.750 -13.599 -1.207 97 H ARG 14 HN ARG 14 -3.452 -8.717 1.040 98 HA ARG 14 HA ARG 14 -4.834 -7.810 -1.258 99 HB2 ARG 14 HB2 ARG 14 -5.672 -7.360 1.020 100 HB3 ARG 14 HB1 ARG 14 -4.269 -6.353 1.346 101 HG2 ARG 14 HG2 ARG 14 -4.980 -4.795 -0.390 102 HG3 ARG 14 HG1 ARG 14 -6.381 -5.812 -0.720 103 HD2 ARG 14 HD2 ARG 14 -5.835 -4.628 1.986 104 HD3 ARG 14 HD1 ARG 14 -6.726 -3.762 0.747 105 HE ARG 14 HE ARG 14 -7.965 -6.212 1.039 106 HH11 ARG 14 HH11 ARG 14 -7.228 -3.479 3.204 107 HH12 ARG 14 HH12 ARG 14 -8.708 -3.596 4.061 108 HH21 ARG 14 HH21 ARG 14 -9.976 -6.317 2.242 109 HH22 ARG 14 HH22 ARG 14 -10.251 -5.226 3.550 110 H LEU 15 HN LEU 15 -1.820 -6.861 0.299 111 HA LEU 15 HA LEU 15 -1.107 -4.677 -1.308 112 HB2 LEU 15 HB2 LEU 15 0.564 -6.810 -0.058 113 HB3 LEU 15 HB1 LEU 15 1.228 -5.330 -0.775 114 HG LEU 15 HG LEU 15 -0.468 -5.618 1.685 115 HD11 LEU 15 HD11 LEU 15 1.458 -4.825 2.859 116 HD12 LEU 15 HD12 LEU 15 2.364 -4.689 1.354 117 HD13 LEU 15 HD13 LEU 15 1.870 -6.278 1.949 118 HD21 LEU 15 HD21 LEU 15 -1.059 -3.591 0.507 119 HD22 LEU 15 HD22 LEU 15 0.645 -3.153 0.392 120 HD23 LEU 15 HD23 LEU 15 -0.144 -3.214 1.971 121 H SER 16 HN SER 16 -0.417 -8.130 -1.624 122 HA SER 16 HA SER 16 1.084 -8.103 -3.945 123 HB2 SER 16 HB2 SER 16 -0.841 -10.256 -3.018 124 HB3 SER 16 HB1 SER 16 0.493 -10.481 -4.149 125 HG SER 16 HG SER 16 0.637 -9.835 -1.380 126 H THR 17 HN THR 17 -2.348 -7.807 -3.525 127 HA THR 17 HA THR 17 -2.999 -8.338 -6.257 128 HB THR 17 HB THR 17 -4.661 -7.029 -4.092 129 HG1 THR 17 HG1 THR 17 -3.718 -9.337 -3.904 130 HG21 THR 17 HG21 THR 17 -5.555 -6.695 -6.363 131 HG22 THR 17 HG22 THR 17 -6.573 -7.806 -5.444 132 HG23 THR 17 HG23 THR 17 -5.453 -8.431 -6.656 133 H TYR 18 HN TYR 18 -2.936 -5.368 -4.233 134 HA TYR 18 HA TYR 18 -3.567 -3.746 -6.506 135 HB2 TYR 18 HB2 TYR 18 -2.877 -2.973 -3.681 136 HB3 TYR 18 HB1 TYR 18 -3.234 -1.802 -4.945 137 HD1 TYR 18 HD1 TYR 18 -5.478 -1.852 -6.049 138 HD2 TYR 18 HD2 TYR 18 -4.614 -4.123 -2.569 139 HE1 TYR 18 HE1 TYR 18 -7.880 -2.126 -5.641 140 HE2 TYR 18 HE2 TYR 18 -7.015 -4.400 -2.149 141 HH TYR 18 HH TYR 18 -9.117 -3.355 -2.705 142 H LEU 19 HN LEU 19 -0.576 -4.586 -4.930 143 HA LEU 19 HA LEU 19 0.827 -2.462 -6.183 144 HB2 LEU 19 HB2 LEU 19 1.810 -4.933 -4.778 145 HB3 LEU 19 HB1 LEU 19 2.895 -3.746 -5.471 146 HG LEU 19 HG LEU 19 0.896 -3.157 -3.242 147 HD11 LEU 19 HD11 LEU 19 3.875 -3.504 -3.145 148 HD12 LEU 19 HD12 LEU 19 2.679 -4.626 -2.496 149 HD13 LEU 19 HD13 LEU 19 2.833 -3.006 -1.813 150 HD21 LEU 19 HD21 LEU 19 3.089 -1.471 -4.460 151 HD22 LEU 19 HD22 LEU 19 2.098 -1.038 -3.068 152 HD23 LEU 19 HD23 LEU 19 1.356 -1.206 -4.651 153 H GLU 20 HN GLU 20 -0.323 -5.394 -7.404 154 HA GLU 20 HA GLU 20 1.653 -5.555 -9.498 155 HB2 GLU 20 HB3 GLU 20 -1.021 -6.938 -9.262 156 HB3 GLU 20 HB2 GLU 20 0.109 -7.199 -10.579 157 HG2 GLU 20 HG3 GLU 20 1.779 -7.902 -8.836 158 HG3 GLU 20 HG2 GLU 20 0.445 -7.883 -7.688 159 H GLU 21 HN GLU 21 -0.965 -3.599 -8.891 160 HA GLU 21 HA GLU 21 -1.667 -3.140 -11.647 161 HB2 GLU 21 HB3 GLU 21 -2.372 -1.628 -9.132 162 HB3 GLU 21 HB2 GLU 21 -2.996 -1.241 -10.728 163 HG2 GLU 21 HG3 GLU 21 -3.457 -3.800 -9.212 164 HG3 GLU 21 HG2 GLU 21 -4.614 -2.484 -9.411 165 H LEU 22 HN LEU 22 0.838 -2.256 -9.609 166 HA LEU 22 HA LEU 22 1.309 0.260 -11.036 167 HB2 LEU 22 HB2 LEU 22 2.747 -0.752 -8.561 168 HB3 LEU 22 HB1 LEU 22 3.007 0.704 -9.501 169 HG LEU 22 HG LEU 22 0.458 0.110 -8.000 170 HD11 LEU 22 HD11 LEU 22 1.252 1.775 -6.390 171 HD12 LEU 22 HD12 LEU 22 2.797 1.852 -7.240 172 HD13 LEU 22 HD13 LEU 22 2.293 0.355 -6.451 173 HD21 LEU 22 HD21 LEU 22 0.013 2.504 -8.367 174 HD22 LEU 22 HD22 LEU 22 0.137 1.619 -9.880 175 HD23 LEU 22 HD23 LEU 22 1.482 2.623 -9.337 176 H GLU 23 HN GLU 23 3.204 0.795 -11.700 177 HA GLU 23 HA GLU 23 4.531 -1.229 -13.266 178 HB2 GLU 23 HB3 GLU 23 3.759 1.391 -13.583 179 HB3 GLU 23 HB2 GLU 23 5.471 1.524 -13.204 180 HG2 GLU 23 HG3 GLU 23 4.299 -0.174 -15.263 181 HG3 GLU 23 HG2 GLU 23 4.920 1.470 -15.566 182 H ALA 24 HN ALA 24 6.949 -1.177 -13.253 183 HA ALA 24 HA ALA 24 8.043 -1.492 -10.689 184 HB1 ALA 24 HB1 ALA 24 9.442 -1.075 -13.327 185 HB2 ALA 24 HB2 ALA 24 8.934 -2.625 -12.662 186 HB3 ALA 24 HB3 ALA 24 10.199 -1.693 -11.856 187 H VAL 25 HN VAL 25 8.111 1.212 -12.975 188 HA VAL 25 HA VAL 25 9.806 2.859 -11.421 189 HB VAL 25 HB VAL 25 9.435 3.382 -13.788 190 HG11 VAL 25 HG11 VAL 25 7.325 4.335 -14.591 191 HG12 VAL 25 HG12 VAL 25 6.606 4.046 -13.008 192 HG13 VAL 25 HG13 VAL 25 7.120 2.682 -14.005 193 HG21 VAL 25 HG21 VAL 25 10.086 5.245 -12.356 194 HG22 VAL 25 HG22 VAL 25 8.385 5.558 -11.997 195 HG23 VAL 25 HG23 VAL 25 8.994 5.799 -13.634 196 H GLU 26 HN GLU 26 6.373 2.306 -11.371 197 HA GLU 26 HA GLU 26 5.713 4.465 -9.629 198 HB2 GLU 26 HB3 GLU 26 4.271 1.909 -10.261 199 HB3 GLU 26 HB2 GLU 26 3.535 3.271 -9.414 200 HG2 GLU 26 HG3 GLU 26 4.602 3.286 -12.226 201 HG3 GLU 26 HG2 GLU 26 2.900 3.121 -11.792 202 H LEU 27 HN LEU 27 6.395 1.032 -9.254 203 HA LEU 27 HA LEU 27 6.062 0.884 -6.462 204 HB2 LEU 27 HB2 LEU 27 7.787 -0.762 -8.317 205 HB3 LEU 27 HB1 LEU 27 7.475 -1.171 -6.645 206 HG LEU 27 HG LEU 27 5.335 -0.984 -8.770 207 HD11 LEU 27 HD11 LEU 27 6.865 -2.803 -9.262 208 HD12 LEU 27 HD12 LEU 27 5.314 -3.419 -8.703 209 HD13 LEU 27 HD13 LEU 27 6.702 -3.410 -7.612 210 HD21 LEU 27 HD21 LEU 27 4.501 -0.595 -6.509 211 HD22 LEU 27 HD22 LEU 27 5.287 -2.072 -5.954 212 HD23 LEU 27 HD23 LEU 27 3.964 -2.161 -7.115 213 H LYS 28 HN LYS 28 8.711 1.795 -8.517 214 HA LYS 28 HA LYS 28 10.734 1.994 -6.603 215 HB2 LYS 28 HB2 LYS 28 11.194 2.079 -9.000 216 HB3 LYS 28 HB1 LYS 28 10.287 3.574 -9.140 217 HG2 LYS 28 HG2 LYS 28 11.955 4.730 -7.791 218 HG3 LYS 28 HG1 LYS 28 12.852 3.223 -7.601 219 HD2 LYS 28 HD2 LYS 28 13.204 3.101 -9.997 220 HD3 LYS 28 HD1 LYS 28 12.265 4.576 -10.229 221 HE2 LYS 28 HE2 LYS 28 13.898 5.858 -9.002 222 HE3 LYS 28 HE1 LYS 28 14.789 4.393 -8.593 223 HZ1 LYS 28 HZ1 LYS 28 15.816 5.583 -10.425 224 HZ2 LYS 28 HZ2 LYS 28 14.403 5.457 -11.340 225 HZ3 LYS 28 HZ3 LYS 28 15.266 4.072 -10.916 226 H LYS 29 HN LYS 29 8.363 4.353 -7.756 227 HA LYS 29 HA LYS 29 9.109 6.583 -6.172 228 HB2 LYS 29 HB2 LYS 29 6.350 5.729 -7.033 229 HB3 LYS 29 HB1 LYS 29 6.792 7.331 -6.493 230 HG2 LYS 29 HG2 LYS 29 8.182 7.658 -8.476 231 HG3 LYS 29 HG1 LYS 29 7.797 6.019 -9.002 232 HD2 LYS 29 HD2 LYS 29 5.464 6.550 -9.194 233 HD3 LYS 29 HD1 LYS 29 5.721 8.143 -8.503 234 HE2 LYS 29 HE2 LYS 29 6.889 7.171 -11.104 235 HE3 LYS 29 HE1 LYS 29 5.433 8.151 -10.949 236 HZ1 LYS 29 HZ1 LYS 29 8.166 8.977 -10.108 237 HZ2 LYS 29 HZ2 LYS 29 6.780 9.928 -9.980 238 HZ3 LYS 29 HZ3 LYS 29 7.364 9.490 -11.489 239 H PHE 30 HN PHE 30 6.762 4.049 -5.743 240 HA PHE 30 HA PHE 30 5.702 4.687 -3.297 241 HB2 PHE 30 HB2 PHE 30 4.516 3.144 -4.538 242 HB3 PHE 30 HB1 PHE 30 5.951 2.239 -4.960 243 HD1 PHE 30 HD1 PHE 30 3.848 3.030 -1.942 244 HD2 PHE 30 HD2 PHE 30 6.192 0.223 -4.090 245 HE1 PHE 30 HE1 PHE 30 3.270 1.317 -0.312 246 HE2 PHE 30 HE2 PHE 30 5.611 -1.519 -2.444 247 HZ PHE 30 HZ PHE 30 4.129 -0.960 -0.554 248 H LYS 31 HN LYS 31 8.445 2.434 -3.897 249 HA LYS 31 HA LYS 31 8.857 2.041 -1.097 250 HB2 LYS 31 HB2 LYS 31 10.962 0.952 -1.672 251 HB3 LYS 31 HB1 LYS 31 9.612 0.316 -2.623 252 HG2 LYS 31 HG2 LYS 31 11.447 0.408 -4.120 253 HG3 LYS 31 HG1 LYS 31 10.508 1.848 -4.487 254 HD2 LYS 31 HD2 LYS 31 12.070 3.172 -3.088 255 HD3 LYS 31 HD1 LYS 31 13.010 1.709 -2.798 256 HE2 LYS 31 HE2 LYS 31 12.470 2.915 -5.506 257 HE3 LYS 31 HE1 LYS 31 13.944 3.158 -4.575 258 HZ1 LYS 31 HZ1 LYS 31 13.020 0.457 -5.493 259 HZ2 LYS 31 HZ2 LYS 31 14.470 0.908 -4.718 260 HZ3 LYS 31 HZ3 LYS 31 14.204 1.433 -6.236 261 H LEU 32 HN LEU 32 9.946 4.414 -3.275 262 HA LEU 32 HA LEU 32 12.164 5.378 -1.867 263 HB2 LEU 32 HB2 LEU 32 11.782 5.836 -4.132 264 HB3 LEU 32 HB1 LEU 32 10.170 6.422 -3.792 265 HG LEU 32 HG LEU 32 11.521 8.109 -2.344 266 HD11 LEU 32 HD11 LEU 32 13.698 7.196 -2.739 267 HD12 LEU 32 HD12 LEU 32 13.615 8.809 -3.473 268 HD13 LEU 32 HD13 LEU 32 13.476 7.369 -4.483 269 HD21 LEU 32 HD21 LEU 32 11.517 9.717 -4.256 270 HD22 LEU 32 HD22 LEU 32 10.021 8.843 -3.980 271 HD23 LEU 32 HD23 LEU 32 11.085 8.363 -5.313 272 H TYR 33 HN TYR 33 8.778 6.309 -2.145 273 HA TYR 33 HA TYR 33 8.881 8.547 -0.573 274 HB2 TYR 33 HB2 TYR 33 7.098 8.109 -2.204 275 HB3 TYR 33 HB1 TYR 33 6.462 6.836 -1.167 276 HD1 TYR 33 HD2 TYR 33 6.904 10.446 -1.552 277 HD2 TYR 33 HD1 TYR 33 5.207 7.367 0.848 278 HE1 TYR 33 HE2 TYR 33 5.638 12.118 -0.296 279 HE2 TYR 33 HE1 TYR 33 3.952 9.013 2.097 280 HH TYR 33 HH TYR 33 4.252 11.456 2.622 281 H LEU 34 HN LEU 34 8.455 5.216 0.371 282 HA LEU 34 HA LEU 34 7.980 6.216 3.085 283 HB2 LEU 34 HB2 LEU 34 6.895 3.995 3.534 284 HB3 LEU 34 HB1 LEU 34 6.043 5.132 2.513 285 HG LEU 34 HG LEU 34 6.962 3.819 0.541 286 HD11 LEU 34 HD11 LEU 34 7.457 1.468 0.914 287 HD12 LEU 34 HD12 LEU 34 7.438 1.737 2.656 288 HD13 LEU 34 HD13 LEU 34 8.667 2.516 1.658 289 HD21 LEU 34 HD21 LEU 34 5.144 2.245 0.653 290 HD22 LEU 34 HD22 LEU 34 4.676 3.845 1.260 291 HD23 LEU 34 HD23 LEU 34 5.005 2.530 2.392 292 H GLY 35 HN GLY 35 10.137 4.450 1.202 293 HA2 GLY 35 HA3 GLY 35 11.067 2.899 3.405 294 HA3 GLY 35 HA2 GLY 35 11.693 2.875 1.759 295 H THR 36 HN THR 36 12.118 5.683 1.575 296 HA THR 36 HA THR 36 14.273 5.926 3.553 297 HB THR 36 HB THR 36 15.166 5.218 1.335 298 HG1 THR 36 HG1 THR 36 16.204 6.836 2.873 299 HG21 THR 36 HG21 THR 36 14.163 7.908 0.370 300 HG22 THR 36 HG22 THR 36 13.552 6.333 -0.131 301 HG23 THR 36 HG23 THR 36 15.198 6.812 -0.547 302 H ALA 37 HN ALA 37 11.548 7.108 3.326 303 HA ALA 37 HA ALA 37 11.998 9.940 2.920 304 HB1 ALA 37 HB1 ALA 37 9.614 8.495 4.018 305 HB2 ALA 37 HB2 ALA 37 9.864 8.914 2.334 306 HB3 ALA 37 HB3 ALA 37 9.668 10.188 3.540 307 H THR 38 HN THR 38 11.734 11.534 4.559 308 HA THR 38 HA THR 38 12.815 10.641 7.072 309 HB THR 38 HB THR 38 13.530 12.801 5.732 310 HG1 THR 38 HG1 THR 38 14.400 12.360 7.703 311 HG21 THR 38 HG21 THR 38 12.333 14.813 6.482 312 HG22 THR 38 HG22 THR 38 11.203 13.738 7.342 313 HG23 THR 38 HG23 THR 38 11.279 13.701 5.583 314 H GLU 39 HN GLU 39 9.764 11.198 5.767 315 HA GLU 39 HA GLU 39 8.501 11.930 8.252 316 HB2 GLU 39 HB3 GLU 39 6.351 11.682 7.060 317 HB3 GLU 39 HB2 GLU 39 7.468 12.736 6.228 318 HG2 GLU 39 HG3 GLU 39 8.001 10.876 4.676 319 HG3 GLU 39 HG2 GLU 39 6.790 9.888 5.492 320 H LEU 40 HN LEU 40 9.795 9.171 7.232 321 HA LEU 40 HA LEU 40 8.077 7.495 8.934 322 HB2 LEU 40 HB2 LEU 40 9.908 6.907 6.664 323 HB3 LEU 40 HB1 LEU 40 9.656 5.724 7.937 324 HG LEU 40 HG LEU 40 8.237 5.169 6.074 325 HD11 LEU 40 HD11 LEU 40 6.045 5.153 7.074 326 HD12 LEU 40 HD12 LEU 40 6.540 6.385 8.222 327 HD13 LEU 40 HD13 LEU 40 7.292 4.787 8.268 328 HD21 LEU 40 HD21 LEU 40 8.131 7.334 4.970 329 HD22 LEU 40 HD22 LEU 40 7.089 7.951 6.259 330 HD23 LEU 40 HD23 LEU 40 6.520 6.653 5.198 331 H GLY 41 HN GLY 41 10.175 9.468 9.365 332 HA2 GLY 41 HA3 GLY 41 11.634 9.889 11.094 333 HA3 GLY 41 HA2 GLY 41 11.524 8.190 11.546 334 H GLU 42 HN GLU 42 12.726 6.755 10.512 335 HA GLU 42 HA GLU 42 15.238 7.836 9.409 336 HB2 GLU 42 HB3 GLU 42 14.685 5.058 10.421 337 HB3 GLU 42 HB2 GLU 42 16.241 5.722 9.967 338 HG2 GLU 42 HG3 GLU 42 16.070 7.318 11.826 339 HG3 GLU 42 HG2 GLU 42 14.545 6.569 12.291 340 H GLY 43 HN GLY 43 12.502 5.877 8.747 341 HA2 GLY 43 HA3 GLY 43 11.868 5.053 6.641 342 HA3 GLY 43 HA2 GLY 43 13.550 5.207 6.100 343 H LYS 44 HN LYS 44 11.280 3.040 7.063 344 HA LYS 44 HA LYS 44 13.025 1.359 8.647 345 HB2 LYS 44 HB2 LYS 44 10.205 0.888 7.679 346 HB3 LYS 44 HB1 LYS 44 11.085 -0.179 8.764 347 HG2 LYS 44 HG2 LYS 44 10.359 2.692 9.341 348 HG3 LYS 44 HG1 LYS 44 9.516 1.276 9.964 349 HD2 LYS 44 HD2 LYS 44 11.550 0.570 11.141 350 HD3 LYS 44 HD1 LYS 44 12.421 1.946 10.471 351 HE2 LYS 44 HE2 LYS 44 11.737 2.378 12.773 352 HE3 LYS 44 HE1 LYS 44 10.959 3.480 11.641 353 HZ1 LYS 44 HZ1 LYS 44 9.426 2.693 13.294 354 HZ2 LYS 44 HZ2 LYS 44 9.687 1.076 12.862 355 HZ3 LYS 44 HZ3 LYS 44 8.958 2.135 11.786 356 H ILE 45 HN ILE 45 12.679 1.815 5.430 357 HA ILE 45 HA ILE 45 13.121 -0.981 4.733 358 HB ILE 45 HB ILE 45 12.618 1.456 3.003 359 HG12 ILE 45 HG12 ILE 45 10.616 0.864 4.212 360 HG13 ILE 45 HG11 ILE 45 10.420 0.387 2.529 361 HG21 ILE 45 HG21 ILE 45 12.360 -0.046 1.090 362 HG22 ILE 45 HG22 ILE 45 12.804 -1.417 2.102 363 HG23 ILE 45 HG23 ILE 45 13.982 -0.160 1.777 364 HD11 ILE 45 HD11 ILE 45 11.014 -1.395 4.877 365 HD12 ILE 45 HD12 ILE 45 11.054 -1.903 3.196 366 HD13 ILE 45 HD13 ILE 45 9.532 -1.349 3.903 367 HA PRO 46 HA PRO 46 17.559 -0.401 4.311 368 HB2 PRO 46 HB2 PRO 46 17.355 -1.938 1.844 369 HB3 PRO 46 HB1 PRO 46 18.246 -2.300 3.315 370 HG2 PRO 46 HG2 PRO 46 15.855 -3.443 2.431 371 HG3 PRO 46 HG1 PRO 46 16.628 -3.676 4.016 372 HD2 PRO 46 HD2 PRO 46 14.182 -2.325 3.416 373 HD3 PRO 46 HD1 PRO 46 14.976 -2.480 4.990 374 H TRP 47 HN TRP 47 19.068 0.202 2.497 375 HA TRP 47 HA TRP 47 18.027 2.648 1.470 376 HB2 TRP 47 HB2 TRP 47 20.796 1.458 1.391 377 HB3 TRP 47 HB1 TRP 47 20.388 3.098 0.898 378 HD1 TRP 47 HD1 TRP 47 20.036 4.897 2.824 379 HE1 TRP 47 HE1 TRP 47 20.440 4.859 5.366 380 HE3 TRP 47 HE3 TRP 47 20.683 -0.141 3.498 381 HZ2 TRP 47 HZ2 TRP 47 20.954 2.961 7.384 382 HZ3 TRP 47 HZ3 TRP 47 21.116 -0.973 5.760 383 HH2 TRP 47 HH2 TRP 47 21.253 0.558 7.663 384 H GLY 48 HN GLY 48 18.810 -0.477 0.150 385 HA2 GLY 48 HA3 GLY 48 17.705 0.332 -2.378 386 HA3 GLY 48 HA2 GLY 48 19.434 0.056 -2.436 387 H SER 49 HN SER 49 17.001 -1.803 -0.534 388 HA SER 49 HA SER 49 17.970 -4.179 -1.906 389 HB2 SER 49 HB2 SER 49 16.107 -3.817 0.420 390 HB3 SER 49 HB1 SER 49 16.733 -5.362 -0.170 391 HG SER 49 HG SER 49 18.870 -4.204 0.148 392 H MET 50 HN MET 50 15.540 -1.933 -2.123 393 HA MET 50 HA MET 50 13.688 -3.922 -3.188 394 HB2 MET 50 HB2 MET 50 13.066 -1.194 -2.153 395 HB3 MET 50 HB1 MET 50 11.932 -2.498 -2.525 396 HG2 MET 50 HG2 MET 50 13.929 -2.349 -0.299 397 HG3 MET 50 HG1 MET 50 12.200 -2.528 -0.236 398 HE1 MET 50 HE1 MET 50 10.895 -5.007 -0.788 399 HE2 MET 50 HE2 MET 50 11.800 -6.340 -1.487 400 HE3 MET 50 HE3 MET 50 11.624 -4.831 -2.371 401 H GLU 51 HN GLU 51 15.822 -2.679 -4.532 402 HA GLU 51 HA GLU 51 14.777 -0.767 -6.395 403 HB2 GLU 51 HB3 GLU 51 17.276 -2.450 -6.622 404 HB3 GLU 51 HB2 GLU 51 16.873 -1.055 -7.612 405 HG2 GLU 51 HG3 GLU 51 17.625 -1.135 -4.708 406 HG3 GLU 51 HG2 GLU 51 18.406 -0.255 -6.025 407 H LYS 52 HN LYS 52 15.743 -4.144 -6.653 408 HA LYS 52 HA LYS 52 14.368 -4.437 -9.216 409 HB2 LYS 52 HB2 LYS 52 16.031 -6.414 -7.634 410 HB3 LYS 52 HB1 LYS 52 15.493 -6.608 -9.298 411 HG2 LYS 52 HG2 LYS 52 16.859 -4.740 -10.000 412 HG3 LYS 52 HG1 LYS 52 17.329 -4.429 -8.333 413 HD2 LYS 52 HD2 LYS 52 19.127 -5.570 -9.453 414 HD3 LYS 52 HD1 LYS 52 18.409 -6.666 -8.280 415 HE2 LYS 52 HE2 LYS 52 17.183 -7.789 -10.031 416 HE3 LYS 52 HE1 LYS 52 17.785 -6.649 -11.234 417 HZ1 LYS 52 HZ1 LYS 52 20.034 -7.451 -10.753 418 HZ2 LYS 52 HZ2 LYS 52 19.044 -8.685 -11.306 419 HZ3 LYS 52 HZ3 LYS 52 19.413 -8.576 -9.665 420 H ALA 53 HN ALA 53 13.047 -4.091 -6.586 421 HA ALA 53 HA ALA 53 11.834 -6.666 -6.015 422 HB1 ALA 53 HB1 ALA 53 10.783 -5.455 -4.117 423 HB2 ALA 53 HB2 ALA 53 11.611 -3.991 -4.622 424 HB3 ALA 53 HB3 ALA 53 12.526 -5.388 -4.108 425 H GLY 54 HN GLY 54 9.831 -7.173 -6.531 426 HA2 GLY 54 HA3 GLY 54 8.255 -5.204 -8.014 427 HA3 GLY 54 HA2 GLY 54 8.221 -6.946 -8.270 428 HA PRO 55 HA PRO 55 4.525 -5.627 -5.723 429 HB2 PRO 55 HB2 PRO 55 3.621 -8.153 -7.006 430 HB3 PRO 55 HB1 PRO 55 2.757 -6.622 -6.804 431 HG2 PRO 55 HG2 PRO 55 3.759 -7.285 -9.173 432 HG3 PRO 55 HG1 PRO 55 3.847 -5.616 -8.583 433 HD2 PRO 55 HD2 PRO 55 6.025 -7.679 -8.716 434 HD3 PRO 55 HD1 PRO 55 6.093 -5.930 -8.976 435 H LEU 56 HN LEU 56 5.835 -8.872 -6.134 436 HA LEU 56 HA LEU 56 4.665 -9.928 -3.727 437 HB2 LEU 56 HB2 LEU 56 7.009 -11.000 -5.288 438 HB3 LEU 56 HB1 LEU 56 6.083 -11.876 -4.093 439 HG LEU 56 HG LEU 56 5.127 -10.961 -6.801 440 HD11 LEU 56 HD11 LEU 56 6.585 -12.915 -6.830 441 HD12 LEU 56 HD12 LEU 56 4.927 -13.330 -7.259 442 HD13 LEU 56 HD13 LEU 56 5.537 -13.704 -5.650 443 HD21 LEU 56 HD21 LEU 56 3.319 -10.768 -5.155 444 HD22 LEU 56 HD22 LEU 56 3.606 -12.439 -4.655 445 HD23 LEU 56 HD23 LEU 56 3.037 -12.088 -6.286 446 H GLU 57 HN GLU 57 7.955 -8.964 -4.578 447 HA GLU 57 HA GLU 57 9.084 -9.357 -2.053 448 HB2 GLU 57 HB3 GLU 57 9.831 -7.513 -4.306 449 HB3 GLU 57 HB2 GLU 57 10.801 -7.648 -2.854 450 HG2 GLU 57 HG3 GLU 57 10.177 -9.866 -4.794 451 HG3 GLU 57 HG2 GLU 57 11.712 -9.006 -4.636 452 H MET 58 HN MET 58 7.437 -6.607 -3.448 453 HA MET 58 HA MET 58 7.936 -4.794 -1.334 454 HB2 MET 58 HB2 MET 58 5.818 -4.862 -3.454 455 HB3 MET 58 HB1 MET 58 5.972 -3.532 -2.316 456 HG2 MET 58 HG2 MET 58 8.225 -4.474 -4.005 457 HG3 MET 58 HG1 MET 58 7.106 -3.257 -4.647 458 HE1 MET 58 HE1 MET 58 8.888 -1.406 -5.066 459 HE2 MET 58 HE2 MET 58 9.970 -2.773 -4.860 460 HE3 MET 58 HE3 MET 58 10.321 -1.247 -4.047 461 H ALA 59 HN ALA 59 5.130 -6.895 -2.032 462 HA ALA 59 HA ALA 59 3.549 -6.022 0.081 463 HB1 ALA 59 HB1 ALA 59 3.662 -8.822 -1.045 464 HB2 ALA 59 HB2 ALA 59 2.746 -7.477 -1.732 465 HB3 ALA 59 HB3 ALA 59 2.334 -8.096 -0.134 466 H GLN 60 HN GLN 60 6.072 -8.448 0.024 467 HA GLN 60 HA GLN 60 5.669 -9.201 2.755 468 HB2 GLN 60 HB2 GLN 60 8.081 -9.678 1.007 469 HB3 GLN 60 HB1 GLN 60 7.712 -10.496 2.520 470 HG2 GLN 60 HG2 GLN 60 5.682 -11.422 1.491 471 HG3 GLN 60 HG1 GLN 60 6.117 -10.628 -0.010 472 HE21 GLN 60 HE21 GLN 60 8.491 -12.114 2.109 473 HE22 GLN 60 HE22 GLN 60 8.913 -13.395 1.050 474 H LEU 61 HN LEU 61 7.627 -6.912 1.047 475 HA LEU 61 HA LEU 61 9.577 -6.190 2.906 476 HB2 LEU 61 HB2 LEU 61 9.387 -5.445 0.520 477 HB3 LEU 61 HB1 LEU 61 8.054 -4.425 1.018 478 HG LEU 61 HG LEU 61 9.625 -3.173 2.475 479 HD11 LEU 61 HD11 LEU 61 12.042 -3.387 2.057 480 HD12 LEU 61 HD12 LEU 61 11.732 -4.563 0.849 481 HD13 LEU 61 HD13 LEU 61 11.421 -4.978 2.544 482 HD21 LEU 61 HD21 LEU 61 8.873 -2.387 0.259 483 HD22 LEU 61 HD22 LEU 61 10.269 -3.171 -0.488 484 HD23 LEU 61 HD23 LEU 61 10.496 -1.848 0.654 485 H LEU 62 HN LEU 62 6.454 -4.593 2.247 486 HA LEU 62 HA LEU 62 6.649 -2.891 4.437 487 HB2 LEU 62 HB2 LEU 62 4.207 -3.687 2.851 488 HB3 LEU 62 HB1 LEU 62 4.184 -2.489 4.117 489 HG LEU 62 HG LEU 62 4.188 -1.320 2.063 490 HD11 LEU 62 HD11 LEU 62 6.963 -1.230 3.104 491 HD12 LEU 62 HD12 LEU 62 5.569 -0.336 3.717 492 HD13 LEU 62 HD13 LEU 62 6.174 -0.024 2.087 493 HD21 LEU 62 HD21 LEU 62 5.846 -1.625 0.323 494 HD22 LEU 62 HD22 LEU 62 4.922 -3.113 0.640 495 HD23 LEU 62 HD23 LEU 62 6.555 -2.939 1.268 496 H ILE 63 HN ILE 63 5.142 -6.064 4.064 497 HA ILE 63 HA ILE 63 3.723 -5.939 6.508 498 HB ILE 63 HB ILE 63 3.523 -7.541 4.354 499 HG12 ILE 63 HG12 ILE 63 1.885 -7.261 6.165 500 HG13 ILE 63 HG11 ILE 63 1.914 -8.896 5.533 501 HG21 ILE 63 HG21 ILE 63 4.972 -9.325 6.298 502 HG22 ILE 63 HG22 ILE 63 5.594 -8.749 4.759 503 HG23 ILE 63 HG23 ILE 63 4.203 -9.834 4.792 504 HD11 ILE 63 HD11 ILE 63 1.662 -8.900 7.946 505 HD12 ILE 63 HD12 ILE 63 3.140 -7.946 8.114 506 HD13 ILE 63 HD13 ILE 63 3.221 -9.594 7.495 507 H THR 64 HN THR 64 6.991 -6.897 5.740 508 HA THR 64 HA THR 64 7.403 -8.208 8.248 509 HB THR 64 HB THR 64 9.438 -7.312 6.193 510 HG1 THR 64 HG1 THR 64 8.105 -8.746 5.239 511 HG21 THR 64 HG21 THR 64 10.880 -9.033 7.215 512 HG22 THR 64 HG22 THR 64 9.632 -9.369 8.414 513 HG23 THR 64 HG23 THR 64 10.439 -7.800 8.395 514 H HIS 65 HN HIS 65 8.279 -5.059 6.886 515 HA HIS 65 HA HIS 65 9.708 -4.388 9.304 516 HB2 HIS 65 HB2 HIS 65 9.137 -2.707 6.854 517 HB3 HIS 65 HB1 HIS 65 10.103 -2.169 8.222 518 HD1 HIS 65 HD1 HIS 65 12.573 -3.008 8.310 519 HD2 HIS 65 HD2 HIS 65 10.324 -4.667 5.233 520 HE1 HIS 65 HE1 HIS 65 14.198 -4.186 6.808 521 H PHE 66 HN PHE 66 6.787 -3.149 7.703 522 HA PHE 66 HA PHE 66 6.170 -1.483 9.947 523 HB2 PHE 66 HB2 PHE 66 4.613 -2.117 7.461 524 HB3 PHE 66 HB1 PHE 66 4.190 -0.875 8.640 525 HD1 PHE 66 HD1 PHE 66 5.508 1.136 8.834 526 HD2 PHE 66 HD2 PHE 66 6.450 -1.874 6.028 527 HE1 PHE 66 HE1 PHE 66 7.062 2.685 7.694 528 HE2 PHE 66 HE2 PHE 66 7.965 -0.377 4.865 529 HZ PHE 66 HZ PHE 66 8.297 1.901 5.700 530 H GLY 67 HN GLY 67 4.405 -4.204 8.470 531 HA2 GLY 67 HA3 GLY 67 3.749 -5.844 10.372 532 HA3 GLY 67 HA2 GLY 67 2.890 -4.421 10.970 533 HA PRO 68 HA PRO 68 0.455 -6.876 7.729 534 HB2 PRO 68 HB2 PRO 68 -1.747 -7.377 9.360 535 HB3 PRO 68 HB1 PRO 68 -0.479 -8.531 8.959 536 HG2 PRO 68 HG2 PRO 68 -0.887 -6.967 11.434 537 HG3 PRO 68 HG1 PRO 68 -0.093 -8.530 11.206 538 HD2 PRO 68 HD2 PRO 68 1.229 -6.147 11.642 539 HD3 PRO 68 HD1 PRO 68 1.955 -7.556 10.862 540 H GLU 69 HN GLU 69 -1.221 -4.901 10.241 541 HA GLU 69 HA GLU 69 -3.016 -3.808 8.333 542 HB2 GLU 69 HB3 GLU 69 -2.330 -2.705 11.053 543 HB3 GLU 69 HB2 GLU 69 -3.759 -2.345 10.100 544 HG2 GLU 69 HG3 GLU 69 -4.658 -3.846 11.491 545 HG3 GLU 69 HG2 GLU 69 -4.066 -4.949 10.268 546 H GLU 70 HN GLU 70 -0.020 -2.869 9.770 547 HA GLU 70 HA GLU 70 -0.051 -0.154 9.060 548 HB2 GLU 70 HB3 GLU 70 1.357 -1.265 10.829 549 HB3 GLU 70 HB2 GLU 70 2.400 -1.831 9.531 550 HG2 GLU 70 HG3 GLU 70 3.329 0.163 10.494 551 HG3 GLU 70 HG2 GLU 70 2.773 0.505 8.854 552 H ALA 71 HN ALA 71 1.415 -2.985 7.506 553 HA ALA 71 HA ALA 71 2.650 -1.787 5.316 554 HB1 ALA 71 HB1 ALA 71 2.476 -3.918 4.242 555 HB2 ALA 71 HB2 ALA 71 1.176 -4.408 5.326 556 HB3 ALA 71 HB3 ALA 71 2.807 -4.165 5.954 557 H TRP 72 HN TRP 72 -0.707 -2.728 5.777 558 HA TRP 72 HA TRP 72 -1.435 -2.218 3.120 559 HB2 TRP 72 HB2 TRP 72 -2.843 -3.692 4.419 560 HB3 TRP 72 HB1 TRP 72 -3.169 -2.424 5.594 561 HD1 TRP 72 HD1 TRP 72 -5.680 -1.912 5.308 562 HE1 TRP 72 HE1 TRP 72 -7.210 -1.269 3.345 563 HE3 TRP 72 HE3 TRP 72 -2.366 -2.513 1.478 564 HZ2 TRP 72 HZ2 TRP 72 -7.010 -1.046 0.537 565 HZ3 TRP 72 HZ3 TRP 72 -3.089 -2.089 -0.811 566 HH2 TRP 72 HH2 TRP 72 -5.379 -1.354 -1.288 567 H ARG 73 HN ARG 73 -1.589 -0.266 6.034 568 HA ARG 73 HA ARG 73 -2.835 1.917 4.828 569 HB2 ARG 73 HB2 ARG 73 -2.641 1.821 7.266 570 HB3 ARG 73 HB1 ARG 73 -0.887 1.921 7.159 571 HG2 ARG 73 HG2 ARG 73 -1.068 4.174 6.220 572 HG3 ARG 73 HG1 ARG 73 -2.822 4.077 6.322 573 HD2 ARG 73 HD2 ARG 73 -1.951 5.365 8.171 574 HD3 ARG 73 HD1 ARG 73 -2.650 3.863 8.760 575 HE ARG 73 HE ARG 73 -0.346 3.016 9.015 576 HH11 ARG 73 HH11 ARG 73 -0.628 6.521 8.630 577 HH12 ARG 73 HH12 ARG 73 0.694 6.851 9.647 578 HH21 ARG 73 HH21 ARG 73 1.392 3.495 10.416 579 HH22 ARG 73 HH22 ARG 73 1.896 5.104 10.691 580 H LEU 74 HN LEU 74 0.561 1.108 5.247 581 HA LEU 74 HA LEU 74 1.678 3.361 4.098 582 HB2 LEU 74 HB2 LEU 74 2.619 0.634 4.701 583 HB3 LEU 74 HB1 LEU 74 3.551 1.512 3.515 584 HG LEU 74 HG LEU 74 4.495 1.678 5.791 585 HD11 LEU 74 HD11 LEU 74 3.480 4.285 4.681 586 HD12 LEU 74 HD12 LEU 74 4.961 3.439 4.235 587 HD13 LEU 74 HD13 LEU 74 4.780 4.096 5.854 588 HD21 LEU 74 HD21 LEU 74 3.392 3.002 7.510 589 HD22 LEU 74 HD22 LEU 74 2.392 1.612 7.072 590 HD23 LEU 74 HD23 LEU 74 1.988 3.216 6.466 591 H ALA 75 HN ALA 75 0.384 0.525 2.493 592 HA ALA 75 HA ALA 75 1.433 1.385 -0.071 593 HB1 ALA 75 HB1 ALA 75 0.083 -0.360 -1.032 594 HB2 ALA 75 HB2 ALA 75 -0.688 -0.669 0.526 595 HB3 ALA 75 HB3 ALA 75 1.045 -0.977 0.303 596 H LEU 76 HN LEU 76 -1.857 1.359 1.346 597 HA LEU 76 HA LEU 76 -2.941 2.517 -0.997 598 HB2 LEU 76 HB2 LEU 76 -5.045 2.659 0.091 599 HB3 LEU 76 HB1 LEU 76 -4.284 1.197 0.658 600 HG LEU 76 HG LEU 76 -3.624 2.739 2.721 601 HD11 LEU 76 HD11 LEU 76 -6.131 4.080 1.692 602 HD12 LEU 76 HD12 LEU 76 -4.527 4.808 1.796 603 HD13 LEU 76 HD13 LEU 76 -5.381 4.347 3.269 604 HD21 LEU 76 HD21 LEU 76 -4.945 0.738 2.897 605 HD22 LEU 76 HD22 LEU 76 -6.333 1.543 2.209 606 HD23 LEU 76 HD23 LEU 76 -5.745 2.021 3.813 607 H SER 77 HN SER 77 -1.846 3.947 2.004 608 HA SER 77 HA SER 77 -2.746 6.534 1.289 609 HB2 SER 77 HB2 SER 77 -1.114 5.351 3.460 610 HB3 SER 77 HB1 SER 77 -1.338 7.132 3.390 611 HG SER 77 HG SER 77 -3.675 5.992 3.106 612 H THR 78 HN THR 78 -0.064 4.702 0.294 613 HA THR 78 HA THR 78 1.392 7.145 -0.261 614 HB THR 78 HB THR 78 2.260 4.249 -0.494 615 HG1 THR 78 HG1 THR 78 2.657 4.554 1.468 616 HG21 THR 78 HG21 THR 78 3.893 6.775 -0.934 617 HG22 THR 78 HG22 THR 78 3.424 5.632 -2.191 618 HG23 THR 78 HG23 THR 78 4.533 5.132 -0.913 619 H PHE 79 HN PHE 79 -0.683 4.855 -1.698 620 HA PHE 79 HA PHE 79 0.022 5.109 -4.382 621 HB2 PHE 79 HB2 PHE 79 -2.695 4.691 -3.124 622 HB3 PHE 79 HB1 PHE 79 -2.454 4.664 -4.873 623 HD1 PHE 79 HD2 PHE 79 0.275 3.148 -4.635 624 HD2 PHE 79 HD1 PHE 79 -3.588 2.553 -2.943 625 HE1 PHE 79 HE2 PHE 79 0.739 0.766 -4.425 626 HE2 PHE 79 HE1 PHE 79 -3.124 0.152 -2.725 627 HZ PHE 79 HZ PHE 79 -0.957 -0.751 -3.473 628 H GLU 80 HN GLU 80 -2.220 7.027 -2.425 629 HA GLU 80 HA GLU 80 -2.854 8.885 -4.445 630 HB2 GLU 80 HB3 GLU 80 -3.629 10.359 -2.584 631 HB3 GLU 80 HB2 GLU 80 -4.265 8.723 -2.475 632 HG2 GLU 80 HG3 GLU 80 -2.785 8.151 -0.795 633 HG3 GLU 80 HG2 GLU 80 -1.833 9.631 -1.007 634 H ARG 81 HN ARG 81 -0.198 8.700 -2.208 635 HA ARG 81 HA ARG 81 0.783 11.351 -2.402 636 HB2 ARG 81 HB2 ARG 81 2.263 8.819 -1.753 637 HB3 ARG 81 HB1 ARG 81 2.905 10.435 -1.549 638 HG2 ARG 81 HG2 ARG 81 0.559 9.247 -0.091 639 HG3 ARG 81 HG1 ARG 81 2.179 9.531 0.541 640 HD2 ARG 81 HD2 ARG 81 1.824 11.950 0.004 641 HD3 ARG 81 HD1 ARG 81 0.127 11.547 -0.280 642 HE ARG 81 HE ARG 81 1.336 10.774 2.246 643 HH11 ARG 81 HH11 ARG 81 -0.988 12.891 0.581 644 HH12 ARG 81 HH12 ARG 81 -1.579 13.602 1.996 645 HH21 ARG 81 HH21 ARG 81 0.511 11.746 4.203 646 HH22 ARG 81 HH22 ARG 81 -0.735 12.913 4.109 647 H ILE 82 HN ILE 82 1.414 8.422 -4.248 648 HA ILE 82 HA ILE 82 3.437 9.789 -5.832 649 HB ILE 82 HB ILE 82 3.812 7.616 -6.941 650 HG12 ILE 82 HG12 ILE 82 1.688 6.563 -5.044 651 HG13 ILE 82 HG11 ILE 82 1.495 6.742 -6.782 652 HG21 ILE 82 HG21 ILE 82 4.722 6.428 -4.976 653 HG22 ILE 82 HG22 ILE 82 3.827 7.546 -3.930 654 HG23 ILE 82 HG23 ILE 82 5.094 8.152 -4.996 655 HD11 ILE 82 HD11 ILE 82 1.912 4.436 -6.151 656 HD12 ILE 82 HD12 ILE 82 3.436 4.904 -5.396 657 HD13 ILE 82 HD13 ILE 82 3.229 5.061 -7.145 658 H ASN 83 HN ASN 83 0.453 10.122 -5.763 659 HA ASN 83 HA ASN 83 -1.175 10.787 -7.045 660 HB2 ASN 83 HB3 ASN 83 0.505 12.179 -8.211 661 HB3 ASN 83 HB2 ASN 83 0.814 10.861 -9.333 662 HD21 ASN 83 HD21 ASN 83 -1.473 13.270 -8.307 663 HD22 ASN 83 HD22 ASN 83 -2.439 13.227 -9.735 664 H ARG 84 HN ARG 84 -1.907 8.806 -6.509 665 HA ARG 84 HA ARG 84 -3.022 7.492 -8.755 666 HB2 ARG 84 HB2 ARG 84 -1.028 6.101 -8.548 667 HB3 ARG 84 HB1 ARG 84 -1.274 5.931 -6.824 668 HG2 ARG 84 HG2 ARG 84 -1.878 3.895 -8.040 669 HG3 ARG 84 HG1 ARG 84 -3.259 4.595 -7.196 670 HD2 ARG 84 HD2 ARG 84 -4.038 3.941 -9.342 671 HD3 ARG 84 HD1 ARG 84 -3.893 5.686 -9.296 672 HE ARG 84 HE ARG 84 -1.628 5.268 -10.380 673 HH11 ARG 84 HH11 ARG 84 -4.559 3.292 -11.147 674 HH12 ARG 84 HH12 ARG 84 -3.971 2.900 -12.677 675 HH21 ARG 84 HH21 ARG 84 -0.909 4.646 -12.477 676 HH22 ARG 84 HH22 ARG 84 -1.858 3.633 -13.456 677 H LYS 85 HN LYS 85 -4.737 8.609 -7.820 678 HA LYS 85 HA LYS 85 -5.679 7.895 -5.195 679 HB2 LYS 85 HB2 LYS 85 -5.878 10.144 -5.914 680 HB3 LYS 85 HB1 LYS 85 -6.744 9.705 -7.388 681 HG2 LYS 85 HG2 LYS 85 -8.675 9.064 -5.985 682 HG3 LYS 85 HG1 LYS 85 -7.734 9.493 -4.550 683 HD2 LYS 85 HD2 LYS 85 -7.552 11.803 -5.357 684 HD3 LYS 85 HD1 LYS 85 -8.518 11.378 -6.769 685 HE2 LYS 85 HE2 LYS 85 -9.472 11.129 -3.919 686 HE3 LYS 85 HE1 LYS 85 -9.785 12.520 -4.937 687 HZ1 LYS 85 HZ1 LYS 85 -11.628 10.921 -4.878 688 HZ2 LYS 85 HZ2 LYS 85 -10.669 9.753 -5.667 689 HZ3 LYS 85 HZ3 LYS 85 -11.055 11.177 -6.416 690 H ASP 86 HN ASP 86 -5.961 6.956 -8.391 691 HA ASP 86 HA ASP 86 -8.369 5.678 -8.618 692 HB2 ASP 86 HB2 ASP 86 -7.214 5.930 -10.603 693 HB3 ASP 86 HB1 ASP 86 -5.709 5.349 -9.928 694 H LEU 87 HN LEU 87 -5.306 4.248 -7.448 695 HA LEU 87 HA LEU 87 -6.663 1.763 -6.843 696 HB2 LEU 87 HB2 LEU 87 -3.845 2.629 -6.183 697 HB3 LEU 87 HB1 LEU 87 -4.502 1.056 -5.818 698 HG LEU 87 HG LEU 87 -4.067 2.177 -8.586 699 HD11 LEU 87 HD11 LEU 87 -2.004 1.625 -7.411 700 HD12 LEU 87 HD12 LEU 87 -2.321 0.514 -8.739 701 HD13 LEU 87 HD13 LEU 87 -2.630 0.009 -7.076 702 HD21 LEU 87 HD21 LEU 87 -5.989 0.673 -8.525 703 HD22 LEU 87 HD22 LEU 87 -5.015 -0.540 -7.689 704 HD23 LEU 87 HD23 LEU 87 -4.621 -0.077 -9.343 705 H TRP 88 HN TRP 88 -5.747 4.620 -5.246 706 HA TRP 88 HA TRP 88 -5.733 3.876 -2.579 707 HB2 TRP 88 HB2 TRP 88 -4.887 5.979 -3.353 708 HB3 TRP 88 HB1 TRP 88 -6.430 6.438 -3.999 709 HD1 TRP 88 HD1 TRP 88 -4.844 5.778 -0.547 710 HE1 TRP 88 HE1 TRP 88 -5.953 7.382 1.162 711 HE3 TRP 88 HE3 TRP 88 -8.303 7.893 -3.562 712 HZ2 TRP 88 HZ2 TRP 88 -8.041 9.287 1.193 713 HZ3 TRP 88 HZ3 TRP 88 -9.829 9.590 -2.643 714 HH2 TRP 88 HH2 TRP 88 -9.691 10.271 -0.314 715 H GLU 89 HN GLU 89 -8.416 5.122 -4.546 716 HA GLU 89 HA GLU 89 -10.375 4.881 -2.539 717 HB2 GLU 89 HB3 GLU 89 -10.650 5.013 -5.521 718 HB3 GLU 89 HB2 GLU 89 -12.016 5.044 -4.411 719 HG2 GLU 89 HG3 GLU 89 -11.116 7.043 -3.355 720 HG3 GLU 89 HG2 GLU 89 -9.751 6.983 -4.472 721 H ARG 90 HN ARG 90 -9.194 2.575 -4.842 722 HA ARG 90 HA ARG 90 -11.319 0.671 -4.506 723 HB2 ARG 90 HB2 ARG 90 -8.445 0.041 -5.190 724 HB3 ARG 90 HB1 ARG 90 -9.850 -0.946 -5.530 725 HG2 ARG 90 HG2 ARG 90 -10.617 0.734 -7.142 726 HG3 ARG 90 HG1 ARG 90 -9.176 1.697 -6.796 727 HD2 ARG 90 HD2 ARG 90 -7.832 -0.368 -7.391 728 HD3 ARG 90 HD1 ARG 90 -9.326 -1.036 -8.031 729 HE ARG 90 HE ARG 90 -8.620 1.562 -9.030 730 HH11 ARG 90 HH11 ARG 90 -8.602 -1.927 -9.621 731 HH12 ARG 90 HH12 ARG 90 -7.963 -1.830 -11.184 732 HH21 ARG 90 HH21 ARG 90 -7.710 1.723 -11.196 733 HH22 ARG 90 HH22 ARG 90 -7.461 0.309 -12.125 734 H GLY 91 HN GLY 91 -8.193 1.281 -3.105 735 HA2 GLY 91 HA3 GLY 91 -7.887 -0.887 -1.361 736 HA3 GLY 91 HA2 GLY 91 -7.157 0.692 -1.211 737 H GLN 92 HN GLN 92 -9.065 2.392 -0.638 738 HA GLN 92 HA GLN 92 -9.846 1.289 1.890 739 HB2 GLN 92 HB2 GLN 92 -10.374 3.573 2.646 740 HB3 GLN 92 HB1 GLN 92 -8.724 3.412 2.076 741 HG2 GLN 92 HG2 GLN 92 -9.304 4.529 0.004 742 HG3 GLN 92 HG1 GLN 92 -10.994 4.607 0.498 743 HE21 GLN 92 HE21 GLN 92 -11.120 6.808 0.476 744 HE22 GLN 92 HE22 GLN 92 -10.297 7.814 1.602 745 H ARG 93 HN ARG 93 -11.281 -0.080 1.164 746 HA ARG 93 HA ARG 93 -13.987 0.962 0.619 747 HB2 ARG 93 HB2 ARG 93 -14.635 -1.370 0.398 748 HB3 ARG 93 HB1 ARG 93 -13.075 -1.231 -0.413 749 HG2 ARG 93 HG2 ARG 93 -11.958 -2.053 1.587 750 HG3 ARG 93 HG1 ARG 93 -13.538 -2.155 2.374 751 HD2 ARG 93 HD2 ARG 93 -14.182 -3.799 0.640 752 HD3 ARG 93 HD1 ARG 93 -12.474 -3.744 0.117 753 HE ARG 93 HE ARG 93 -12.128 -4.215 2.668 754 HH11 ARG 93 HH11 ARG 93 -14.397 -5.869 0.512 755 HH12 ARG 93 HH12 ARG 93 -14.486 -7.262 1.477 756 HH21 ARG 93 HH21 ARG 93 -12.263 -6.042 3.969 757 HH22 ARG 93 HH22 ARG 93 -13.257 -7.371 3.524 758 H GLU 94 HN GLU 94 -11.836 0.449 3.034 759 HA GLU 94 HA GLU 94 -13.736 0.001 5.217 760 HB2 GLU 94 HB3 GLU 94 -10.762 -0.631 5.103 761 HB3 GLU 94 HB2 GLU 94 -11.882 -1.065 6.390 762 HG2 GLU 94 HG3 GLU 94 -13.022 -2.617 4.957 763 HG3 GLU 94 HG2 GLU 94 -12.107 -2.020 3.581 764 H ASP 95 HN ASP 95 -13.493 1.515 6.848 765 HA ASP 95 HA ASP 95 -12.261 3.977 6.073 766 HB2 ASP 95 HB2 ASP 95 -14.409 3.906 7.233 767 HB3 ASP 95 HB1 ASP 95 -13.558 3.187 8.625 768 H LEU 96 HN LEU 96 -10.893 5.133 7.509 769 HA LEU 96 HA LEU 96 -8.907 3.417 8.847 770 HB2 LEU 96 HB2 LEU 96 -8.428 3.986 6.555 771 HB3 LEU 96 HB1 LEU 96 -8.507 5.678 6.959 772 HG LEU 96 HG LEU 96 -6.545 5.295 8.543 773 HD11 LEU 96 HD11 LEU 96 -6.343 2.688 7.051 774 HD12 LEU 96 HD12 LEU 96 -6.774 2.873 8.744 775 HD13 LEU 96 HD13 LEU 96 -5.160 3.330 8.191 776 HD21 LEU 96 HD21 LEU 96 -6.243 6.361 6.374 777 HD22 LEU 96 HD22 LEU 96 -6.071 4.782 5.607 778 HD23 LEU 96 HD23 LEU 96 -4.861 5.340 6.767 779 H VAL 97 HN VAL 97 -9.776 6.738 8.207 780 HA VAL 97 HA VAL 97 -8.813 7.647 10.870 781 HB VAL 97 HB VAL 97 -9.111 9.075 8.213 782 HG11 VAL 97 HG11 VAL 97 -8.174 11.081 9.249 783 HG12 VAL 97 HG12 VAL 97 -8.237 10.292 10.834 784 HG13 VAL 97 HG13 VAL 97 -9.730 10.619 9.947 785 HG21 VAL 97 HG21 VAL 97 -6.683 9.357 8.373 786 HG22 VAL 97 HG22 VAL 97 -7.166 7.658 8.366 787 HG23 VAL 97 HG23 VAL 97 -6.689 8.436 9.879 788 H ARG 98 HN ARG 98 -11.616 7.027 9.185 789 HA ARG 98 HA ARG 98 -13.642 7.539 9.162 790 HB2 ARG 98 HB2 ARG 98 -13.814 7.836 11.600 791 HB3 ARG 98 HB1 ARG 98 -13.157 9.457 11.470 792 HG2 ARG 98 HG2 ARG 98 -15.643 9.304 11.863 793 HG3 ARG 98 HG1 ARG 98 -15.141 10.301 10.497 794 HD2 ARG 98 HD2 ARG 98 -17.017 8.954 9.835 795 HD3 ARG 98 HD1 ARG 98 -15.525 8.445 9.024 796 HE ARG 98 HE ARG 98 -16.180 6.967 11.401 797 HH11 ARG 98 HH11 ARG 98 -16.626 7.115 7.902 798 HH12 ARG 98 HH12 ARG 98 -16.836 5.441 7.691 799 HH21 ARG 98 HH21 ARG 98 -16.546 4.634 11.126 800 HH22 ARG 98 HH22 ARG 98 -16.844 4.020 9.560 801 H ASP 99 HN ASP 99 -13.152 8.012 7.241 802 HA ASP 99 HA ASP 99 -12.989 10.847 6.463 803 HB2 ASP 99 HB2 ASP 99 -11.293 9.286 5.488 804 HB3 ASP 99 HB1 ASP 99 -12.598 8.324 4.809 805 H THR 100 HN THR 100 -14.770 11.746 5.497 806 HA THR 100 HA THR 100 -17.047 9.963 5.455 807 HB THR 100 HB THR 100 -17.084 12.980 5.355 808 HG1 THR 100 HG1 THR 100 -17.204 11.150 7.539 809 HG21 THR 100 HG21 THR 100 -19.172 10.927 6.154 810 HG22 THR 100 HG22 THR 100 -19.193 11.898 4.678 811 HG23 THR 100 HG23 THR 100 -19.367 12.674 6.247 812 H VAL 101 HN VAL 101 -16.289 12.829 3.447 813 HA VAL 101 HA VAL 101 -16.948 11.245 1.099 814 HB VAL 101 HB VAL 101 -18.492 13.072 0.282 815 HG11 VAL 101 HG11 VAL 101 -20.439 12.325 1.629 816 HG12 VAL 101 HG12 VAL 101 -19.319 11.530 2.740 817 HG13 VAL 101 HG13 VAL 101 -19.423 11.002 1.069 818 HG21 VAL 101 HG21 VAL 101 -18.367 13.921 3.173 819 HG22 VAL 101 HG22 VAL 101 -19.541 14.498 1.999 820 HG23 VAL 101 HG23 VAL 101 -17.825 14.854 1.777 821 H GLU 102 HN GLU 102 -16.298 12.178 -0.863 822 HA GLU 102 HA GLU 102 -15.136 14.657 -1.242 823 HB2 GLU 102 HB3 GLU 102 -13.330 13.619 0.233 824 HB3 GLU 102 HB2 GLU 102 -13.116 12.388 -0.999 825 HG2 GLU 102 HG3 GLU 102 -11.392 14.044 -1.222 826 HG3 GLU 102 HG2 GLU 102 -12.477 14.164 -2.603 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 -8.489 -23.405 12.887 2 H2 GLY 1 HT2 GLY 1 -8.246 -25.050 12.586 3 H3 GLY 1 HT3 GLY 1 -9.416 -24.569 13.703 4 HA2 GLY 1 HA2 GLY 1 -10.403 -25.243 11.608 5 HA3 GLY 1 HA3 GLY 1 -10.698 -23.546 11.967 6 H HIS 2 HN HIS 2 -10.308 -25.285 9.431 7 HA HIS 2 HA HIS 2 -8.532 -23.327 8.131 8 HB2 HIS 2 HB2 HIS 2 -8.631 -26.299 7.575 9 HB3 HIS 2 HB1 HIS 2 -7.821 -25.145 6.535 10 HD1 HIS 2 HD1 HIS 2 -5.650 -23.931 7.646 11 HD2 HIS 2 HD2 HIS 2 -7.190 -27.216 9.676 12 HE1 HIS 2 HE1 HIS 2 -3.849 -24.680 9.233 13 H MET 3 HN MET 3 -11.608 -24.092 8.369 14 HA MET 3 HA MET 3 -12.128 -24.159 5.478 15 HB2 MET 3 HB2 MET 3 -14.060 -24.707 7.730 16 HB3 MET 3 HB1 MET 3 -14.378 -24.902 6.018 17 HG2 MET 3 HG2 MET 3 -12.400 -26.488 7.633 18 HG3 MET 3 HG1 MET 3 -13.989 -27.040 7.116 19 HE1 MET 3 HE1 MET 3 -11.498 -29.210 5.032 20 HE2 MET 3 HE2 MET 3 -12.865 -29.220 6.145 21 HE3 MET 3 HE3 MET 3 -11.293 -28.636 6.688 22 H LEU 4 HN LEU 4 -13.405 -22.670 4.534 23 HA LEU 4 HA LEU 4 -14.416 -20.760 4.068 24 HB2 LEU 4 HB2 LEU 4 -15.171 -20.798 6.975 25 HB3 LEU 4 HB1 LEU 4 -15.602 -19.455 5.943 26 HG LEU 4 HG LEU 4 -16.874 -21.089 4.506 27 HD11 LEU 4 HD11 LEU 4 -16.402 -22.966 6.805 28 HD12 LEU 4 HD12 LEU 4 -15.782 -23.144 5.165 29 HD13 LEU 4 HD13 LEU 4 -17.519 -23.228 5.463 30 HD21 LEU 4 HD21 LEU 4 -17.725 -20.812 7.382 31 HD22 LEU 4 HD22 LEU 4 -18.781 -21.210 6.027 32 HD23 LEU 4 HD23 LEU 4 -17.989 -19.639 6.091 33 H ARG 5 HN ARG 5 -13.363 -19.120 3.382 34 HA ARG 5 HA ARG 5 -11.336 -17.951 5.036 35 HB2 ARG 5 HB2 ARG 5 -10.831 -16.483 3.072 36 HB3 ARG 5 HB1 ARG 5 -10.752 -18.190 2.696 37 HG2 ARG 5 HG2 ARG 5 -12.940 -18.039 1.599 38 HG3 ARG 5 HG1 ARG 5 -13.011 -16.322 1.990 39 HD2 ARG 5 HD2 ARG 5 -10.919 -17.666 0.270 40 HD3 ARG 5 HD1 ARG 5 -12.269 -16.701 -0.319 41 HE ARG 5 HE ARG 5 -10.989 -15.048 1.400 42 HH11 ARG 5 HH11 ARG 5 -9.976 -16.853 -1.468 43 HH12 ARG 5 HH12 ARG 5 -8.761 -15.748 -1.933 44 HH21 ARG 5 HH21 ARG 5 -9.303 -13.485 0.750 45 HH22 ARG 5 HH22 ARG 5 -8.383 -13.818 -0.643 46 H THR 6 HN THR 6 -12.197 -16.972 6.670 47 HA THR 6 HA THR 6 -13.766 -14.592 6.153 48 HB THR 6 HB THR 6 -14.556 -16.616 8.281 49 HG1 THR 6 HG1 THR 6 -15.198 -16.397 5.594 50 HG21 THR 6 HG21 THR 6 -15.997 -14.205 7.150 51 HG22 THR 6 HG22 THR 6 -15.174 -14.255 8.706 52 HG23 THR 6 HG23 THR 6 -16.595 -15.264 8.430 53 H ALA 7 HN ALA 7 -12.090 -13.282 6.764 54 HA ALA 7 HA ALA 7 -10.704 -12.073 8.073 55 HB1 ALA 7 HB1 ALA 7 -12.385 -13.161 10.330 56 HB2 ALA 7 HB2 ALA 7 -12.756 -11.735 9.360 57 HB3 ALA 7 HB3 ALA 7 -11.338 -11.744 10.408 58 H GLY 8 HN GLY 8 -9.866 -14.754 7.431 59 HA2 GLY 8 HA3 GLY 8 -8.621 -15.977 9.668 60 HA3 GLY 8 HA2 GLY 8 -8.268 -16.298 7.974 61 H ARG 9 HN ARG 9 -7.055 -14.393 6.875 62 HA ARG 9 HA ARG 9 -5.257 -13.091 8.746 63 HB2 ARG 9 HB2 ARG 9 -4.261 -15.292 8.161 64 HB3 ARG 9 HB1 ARG 9 -4.228 -14.793 6.482 65 HG2 ARG 9 HG2 ARG 9 -2.680 -12.998 7.026 66 HG3 ARG 9 HG1 ARG 9 -2.753 -13.438 8.734 67 HD2 ARG 9 HD2 ARG 9 -1.709 -15.134 6.466 68 HD3 ARG 9 HD1 ARG 9 -0.772 -14.395 7.767 69 HE ARG 9 HE ARG 9 -2.779 -16.036 8.851 70 HH11 ARG 9 HH11 ARG 9 0.362 -16.289 7.280 71 HH12 ARG 9 HH12 ARG 9 0.709 -17.831 7.921 72 HH21 ARG 9 HH21 ARG 9 -2.349 -18.103 9.686 73 HH22 ARG 9 HH22 ARG 9 -0.869 -18.892 9.368 74 H ASP 10 HN ASP 10 -5.032 -13.634 5.226 75 HA ASP 10 HA ASP 10 -4.938 -12.240 3.461 76 HB2 ASP 10 HB2 ASP 10 -7.355 -11.893 4.168 77 HB3 ASP 10 HB1 ASP 10 -6.840 -10.498 5.094 78 H GLY 11 HN GLY 11 -5.061 -9.286 3.574 79 HA2 GLY 11 HA3 GLY 11 -3.834 -7.454 4.377 80 HA3 GLY 11 HA2 GLY 11 -2.864 -8.564 5.351 81 H LEU 12 HN LEU 12 -1.578 -10.102 4.111 82 HA LEU 12 HA LEU 12 0.268 -8.802 2.402 83 HB2 LEU 12 HB2 LEU 12 0.543 -10.887 3.920 84 HB3 LEU 12 HB1 LEU 12 -0.170 -11.779 2.620 85 HG LEU 12 HG LEU 12 2.312 -11.994 2.727 86 HD11 LEU 12 HD11 LEU 12 1.211 -12.444 0.622 87 HD12 LEU 12 HD12 LEU 12 2.784 -11.695 0.364 88 HD13 LEU 12 HD13 LEU 12 1.314 -10.740 0.185 89 HD21 LEU 12 HD21 LEU 12 3.720 -10.162 2.000 90 HD22 LEU 12 HD22 LEU 12 2.822 -9.726 3.459 91 HD23 LEU 12 HD23 LEU 12 2.315 -9.104 1.889 92 H CYS 13 HN CYS 13 -2.232 -11.206 1.849 93 HA CYS 13 HA CYS 13 -2.059 -11.574 -0.888 94 HB2 CYS 13 HB2 CYS 13 -4.449 -11.620 0.932 95 HB3 CYS 13 HB1 CYS 13 -4.378 -12.387 -0.667 96 HG CYS 13 HG CYS 13 -3.218 -14.525 0.038 97 H ARG 14 HN ARG 14 -4.193 -9.422 0.948 98 HA ARG 14 HA ARG 14 -5.470 -8.030 -1.057 99 HB2 ARG 14 HB2 ARG 14 -5.899 -7.978 1.392 100 HB3 ARG 14 HB1 ARG 14 -4.469 -6.991 1.580 101 HG2 ARG 14 HG2 ARG 14 -5.533 -5.244 0.198 102 HG3 ARG 14 HG1 ARG 14 -6.999 -6.231 0.132 103 HD2 ARG 14 HD2 ARG 14 -5.686 -5.019 2.550 104 HD3 ARG 14 HD1 ARG 14 -7.298 -4.686 1.911 105 HE ARG 14 HE ARG 14 -7.600 -7.224 2.455 106 HH11 ARG 14 HH11 ARG 14 -5.898 -4.820 4.455 107 HH12 ARG 14 HH12 ARG 14 -6.185 -5.613 5.907 108 HH21 ARG 14 HH21 ARG 14 -7.918 -8.357 4.447 109 HH22 ARG 14 HH22 ARG 14 -7.380 -7.696 5.933 110 H LEU 15 HN LEU 15 -2.481 -7.224 0.666 111 HA LEU 15 HA LEU 15 -1.893 -4.778 -0.427 112 HB2 LEU 15 HB2 LEU 15 -0.915 -5.819 1.574 113 HB3 LEU 15 HB1 LEU 15 -0.018 -6.914 0.554 114 HG LEU 15 HG LEU 15 1.313 -5.058 -0.308 115 HD11 LEU 15 HD11 LEU 15 -0.392 -3.321 -0.211 116 HD12 LEU 15 HD12 LEU 15 1.055 -2.846 0.685 117 HD13 LEU 15 HD13 LEU 15 -0.374 -3.416 1.550 118 HD21 LEU 15 HD21 LEU 15 1.096 -5.058 2.696 119 HD22 LEU 15 HD22 LEU 15 2.472 -4.486 1.748 120 HD23 LEU 15 HD23 LEU 15 2.036 -6.194 1.727 121 H SER 16 HN SER 16 -0.707 -7.971 -1.472 122 HA SER 16 HA SER 16 0.903 -7.016 -3.569 123 HB2 SER 16 HB2 SER 16 1.054 -9.287 -2.484 124 HB3 SER 16 HB1 SER 16 -0.398 -9.748 -3.365 125 HG SER 16 HG SER 16 0.715 -9.663 -5.263 126 H THR 17 HN THR 17 -2.500 -7.782 -3.384 127 HA THR 17 HA THR 17 -3.036 -7.953 -6.162 128 HB THR 17 HB THR 17 -4.934 -7.274 -3.888 129 HG1 THR 17 HG1 THR 17 -3.984 -9.262 -3.472 130 HG21 THR 17 HG21 THR 17 -5.891 -6.817 -6.122 131 HG22 THR 17 HG22 THR 17 -6.682 -8.191 -5.357 132 HG23 THR 17 HG23 THR 17 -5.486 -8.459 -6.628 133 H TYR 18 HN TYR 18 -2.617 -5.278 -4.019 134 HA TYR 18 HA TYR 18 -3.704 -3.391 -5.963 135 HB2 TYR 18 HB2 TYR 18 -2.542 -2.993 -3.209 136 HB3 TYR 18 HB1 TYR 18 -2.957 -1.656 -4.270 137 HD1 TYR 18 HD1 TYR 18 -4.412 -4.679 -2.693 138 HD2 TYR 18 HD2 TYR 18 -5.113 -0.773 -4.212 139 HE1 TYR 18 HE1 TYR 18 -6.692 -4.775 -1.828 140 HE2 TYR 18 HE2 TYR 18 -7.416 -0.866 -3.336 141 HH TYR 18 HH TYR 18 -9.065 -2.477 -2.652 142 H LEU 19 HN LEU 19 -0.674 -4.337 -4.504 143 HA LEU 19 HA LEU 19 0.867 -2.396 -5.807 144 HB2 LEU 19 HB2 LEU 19 1.592 -4.994 -4.493 145 HB3 LEU 19 HB1 LEU 19 2.796 -3.934 -5.199 146 HG LEU 19 HG LEU 19 0.930 -3.056 -2.937 147 HD11 LEU 19 HD11 LEU 19 2.834 -3.278 -1.512 148 HD12 LEU 19 HD12 LEU 19 3.796 -3.929 -2.840 149 HD13 LEU 19 HD13 LEU 19 2.417 -4.838 -2.217 150 HD21 LEU 19 HD21 LEU 19 2.452 -1.200 -2.792 151 HD22 LEU 19 HD22 LEU 19 1.763 -1.281 -4.413 152 HD23 LEU 19 HD23 LEU 19 3.408 -1.838 -4.127 153 H GLU 20 HN GLU 20 -0.352 -5.426 -6.958 154 HA GLU 20 HA GLU 20 1.433 -5.630 -9.165 155 HB2 GLU 20 HB3 GLU 20 -0.174 -7.252 -10.097 156 HB3 GLU 20 HB2 GLU 20 0.215 -7.589 -8.417 157 HG2 GLU 20 HG3 GLU 20 -1.859 -6.593 -7.716 158 HG3 GLU 20 HG2 GLU 20 -2.242 -6.187 -9.387 159 H GLU 21 HN GLU 21 -1.146 -3.550 -8.505 160 HA GLU 21 HA GLU 21 -1.881 -2.988 -11.244 161 HB2 GLU 21 HB3 GLU 21 -2.555 -1.645 -8.625 162 HB3 GLU 21 HB2 GLU 21 -3.147 -1.090 -10.181 163 HG2 GLU 21 HG3 GLU 21 -3.631 -3.863 -9.157 164 HG3 GLU 21 HG2 GLU 21 -4.706 -2.516 -8.798 165 H LEU 22 HN LEU 22 0.737 -2.339 -9.390 166 HA LEU 22 HA LEU 22 1.180 0.315 -10.523 167 HB2 LEU 22 HB2 LEU 22 2.596 -1.152 -8.318 168 HB3 LEU 22 HB1 LEU 22 3.089 0.406 -8.911 169 HG LEU 22 HG LEU 22 0.599 -0.287 -7.377 170 HD11 LEU 22 HD11 LEU 22 1.516 1.338 -5.793 171 HD12 LEU 22 HD12 LEU 22 2.943 1.512 -6.816 172 HD13 LEU 22 HD13 LEU 22 2.587 -0.036 -6.049 173 HD21 LEU 22 HD21 LEU 22 1.323 2.354 -8.662 174 HD22 LEU 22 HD22 LEU 22 0.020 2.089 -7.507 175 HD23 LEU 22 HD23 LEU 22 -0.047 1.317 -9.090 176 H GLU 23 HN GLU 23 2.808 0.687 -11.882 177 HA GLU 23 HA GLU 23 4.103 -1.516 -13.218 178 HB2 GLU 23 HB3 GLU 23 4.750 1.411 -13.411 179 HB3 GLU 23 HB2 GLU 23 5.186 0.147 -14.543 180 HG2 GLU 23 HG3 GLU 23 2.710 -0.111 -14.988 181 HG3 GLU 23 HG2 GLU 23 2.560 1.364 -13.995 182 H ALA 24 HN ALA 24 6.543 -1.222 -13.624 183 HA ALA 24 HA ALA 24 7.989 -1.454 -11.249 184 HB1 ALA 24 HB1 ALA 24 9.022 -0.760 -14.004 185 HB2 ALA 24 HB2 ALA 24 8.745 -2.391 -13.393 186 HB3 ALA 24 HB3 ALA 24 9.980 -1.371 -12.656 187 H VAL 25 HN VAL 25 7.469 1.275 -13.430 188 HA VAL 25 HA VAL 25 9.100 3.118 -12.074 189 HB VAL 25 HB VAL 25 8.357 3.715 -14.322 190 HG11 VAL 25 HG11 VAL 25 6.186 2.578 -14.331 191 HG12 VAL 25 HG12 VAL 25 6.034 4.276 -14.826 192 HG13 VAL 25 HG13 VAL 25 5.588 3.792 -13.190 193 HG21 VAL 25 HG21 VAL 25 8.738 5.599 -12.802 194 HG22 VAL 25 HG22 VAL 25 7.021 5.517 -12.350 195 HG23 VAL 25 HG23 VAL 25 7.467 5.944 -13.996 196 H GLU 26 HN GLU 26 5.687 2.328 -11.659 197 HA GLU 26 HA GLU 26 5.162 4.306 -9.723 198 HB2 GLU 26 HB3 GLU 26 3.780 1.674 -10.161 199 HB3 GLU 26 HB2 GLU 26 3.146 3.013 -9.201 200 HG2 GLU 26 HG3 GLU 26 3.582 2.891 -12.175 201 HG3 GLU 26 HG2 GLU 26 2.042 2.977 -11.321 202 H LEU 27 HN LEU 27 6.106 0.927 -9.474 203 HA LEU 27 HA LEU 27 6.032 0.753 -6.700 204 HB2 LEU 27 HB2 LEU 27 7.763 -0.739 -8.668 205 HB3 LEU 27 HB1 LEU 27 7.614 -1.119 -6.963 206 HG LEU 27 HG LEU 27 5.318 -1.208 -8.924 207 HD11 LEU 27 HD11 LEU 27 5.524 -3.639 -8.770 208 HD12 LEU 27 HD12 LEU 27 6.997 -3.455 -7.813 209 HD13 LEU 27 HD13 LEU 27 6.952 -2.902 -9.489 210 HD21 LEU 27 HD21 LEU 27 4.202 -2.469 -7.120 211 HD22 LEU 27 HD22 LEU 27 4.578 -0.817 -6.659 212 HD23 LEU 27 HD23 LEU 27 5.579 -2.145 -6.064 213 H LYS 28 HN LYS 28 8.574 1.756 -8.910 214 HA LYS 28 HA LYS 28 10.693 2.020 -7.095 215 HB2 LYS 28 HB2 LYS 28 10.906 2.042 -9.575 216 HB3 LYS 28 HB1 LYS 28 10.123 3.604 -9.603 217 HG2 LYS 28 HG2 LYS 28 11.978 4.604 -8.429 218 HG3 LYS 28 HG1 LYS 28 12.757 3.026 -8.272 219 HD2 LYS 28 HD2 LYS 28 12.887 2.846 -10.715 220 HD3 LYS 28 HD1 LYS 28 12.109 4.420 -10.872 221 HE2 LYS 28 HE2 LYS 28 14.544 4.550 -11.148 222 HE3 LYS 28 HE1 LYS 28 13.985 5.486 -9.763 223 HZ1 LYS 28 HZ1 LYS 28 15.980 4.194 -9.277 224 HZ2 LYS 28 HZ2 LYS 28 15.173 2.752 -9.601 225 HZ3 LYS 28 HZ3 LYS 28 14.702 3.721 -8.309 226 H LYS 29 HN LYS 29 8.169 4.255 -8.113 227 HA LYS 29 HA LYS 29 9.134 6.498 -6.665 228 HB2 LYS 29 HB2 LYS 29 6.317 5.939 -7.560 229 HB3 LYS 29 HB1 LYS 29 6.941 7.499 -7.061 230 HG2 LYS 29 HG2 LYS 29 8.506 7.388 -9.100 231 HG3 LYS 29 HG1 LYS 29 7.623 5.944 -9.538 232 HD2 LYS 29 HD2 LYS 29 6.312 8.605 -9.086 233 HD3 LYS 29 HD1 LYS 29 6.791 7.989 -10.671 234 HE2 LYS 29 HE2 LYS 29 5.328 6.117 -10.436 235 HE3 LYS 29 HE1 LYS 29 4.891 6.572 -8.791 236 HZ1 LYS 29 HZ1 LYS 29 3.800 8.547 -9.711 237 HZ2 LYS 29 HZ2 LYS 29 3.228 7.110 -10.408 238 HZ3 LYS 29 HZ3 LYS 29 4.288 8.086 -11.268 239 H PHE 30 HN PHE 30 6.693 4.027 -5.976 240 HA PHE 30 HA PHE 30 5.870 5.213 -3.556 241 HB2 PHE 30 HB2 PHE 30 4.176 3.747 -3.758 242 HB3 PHE 30 HB1 PHE 30 4.965 3.118 -5.185 243 HD1 PHE 30 HD2 PHE 30 6.481 1.123 -4.895 244 HD2 PHE 30 HD1 PHE 30 3.852 2.459 -1.857 245 HE1 PHE 30 HE2 PHE 30 6.566 -1.100 -3.869 246 HE2 PHE 30 HE1 PHE 30 3.931 0.229 -0.808 247 HZ PHE 30 HZ PHE 30 5.299 -1.553 -1.832 248 H LYS 31 HN LYS 31 8.355 2.883 -4.281 249 HA LYS 31 HA LYS 31 8.940 2.415 -1.501 250 HB2 LYS 31 HB2 LYS 31 10.379 1.674 -4.018 251 HB3 LYS 31 HB1 LYS 31 11.064 1.414 -2.414 252 HG2 LYS 31 HG2 LYS 31 8.437 0.281 -3.328 253 HG3 LYS 31 HG1 LYS 31 9.973 -0.583 -3.406 254 HD2 LYS 31 HD2 LYS 31 10.209 -0.306 -0.952 255 HD3 LYS 31 HD1 LYS 31 8.626 0.468 -0.912 256 HE2 LYS 31 HE2 LYS 31 7.614 -1.567 -1.800 257 HE3 LYS 31 HE1 LYS 31 9.199 -2.334 -1.846 258 HZ1 LYS 31 HZ1 LYS 31 7.822 -1.370 0.591 259 HZ2 LYS 31 HZ2 LYS 31 9.333 -2.141 0.540 260 HZ3 LYS 31 HZ3 LYS 31 7.932 -2.978 0.085 261 H LEU 32 HN LEU 32 9.996 4.822 -3.789 262 HA LEU 32 HA LEU 32 12.109 5.502 -1.998 263 HB2 LEU 32 HB2 LEU 32 12.516 7.472 -3.344 264 HB3 LEU 32 HB1 LEU 32 12.334 6.100 -4.396 265 HG LEU 32 HG LEU 32 9.900 7.030 -4.734 266 HD11 LEU 32 HD11 LEU 32 9.942 8.708 -2.988 267 HD12 LEU 32 HD12 LEU 32 9.713 9.445 -4.571 268 HD13 LEU 32 HD13 LEU 32 11.287 9.527 -3.783 269 HD21 LEU 32 HD21 LEU 32 10.711 8.443 -6.567 270 HD22 LEU 32 HD22 LEU 32 11.585 6.912 -6.474 271 HD23 LEU 32 HD23 LEU 32 12.330 8.394 -5.868 272 H TYR 33 HN TYR 33 8.806 6.420 -2.475 273 HA TYR 33 HA TYR 33 8.807 8.598 -0.726 274 HB2 TYR 33 HB2 TYR 33 6.963 8.150 -2.310 275 HB3 TYR 33 HB1 TYR 33 6.503 6.743 -1.352 276 HD1 TYR 33 HD2 TYR 33 5.420 7.018 0.827 277 HD2 TYR 33 HD1 TYR 33 6.525 10.381 -1.510 278 HE1 TYR 33 HE2 TYR 33 4.026 8.433 2.251 279 HE2 TYR 33 HE1 TYR 33 5.135 11.826 -0.095 280 HH TYR 33 HH TYR 33 4.036 10.923 2.884 281 H LEU 34 HN LEU 34 7.584 5.291 -0.058 282 HA LEU 34 HA LEU 34 7.625 5.949 2.773 283 HB2 LEU 34 HB2 LEU 34 6.690 3.676 3.075 284 HB3 LEU 34 HB1 LEU 34 5.693 4.774 2.138 285 HG LEU 34 HG LEU 34 6.600 3.560 0.078 286 HD11 LEU 34 HD11 LEU 34 8.511 2.434 1.036 287 HD12 LEU 34 HD12 LEU 34 7.341 1.254 0.417 288 HD13 LEU 34 HD13 LEU 34 7.455 1.554 2.144 289 HD21 LEU 34 HD21 LEU 34 4.927 2.022 2.033 290 HD22 LEU 34 HD22 LEU 34 5.051 1.751 0.288 291 HD23 LEU 34 HD23 LEU 34 4.363 3.259 0.900 292 H GLY 35 HN GLY 35 9.982 5.080 0.837 293 HA2 GLY 35 HA3 GLY 35 11.084 3.148 2.680 294 HA3 GLY 35 HA2 GLY 35 11.774 3.537 1.092 295 H THR 36 HN THR 36 12.069 6.187 1.182 296 HA THR 36 HA THR 36 13.954 6.506 3.421 297 HB THR 36 HB THR 36 15.071 6.598 1.235 298 HG1 THR 36 HG1 THR 36 16.307 7.934 2.217 299 HG21 THR 36 HG21 THR 36 14.648 8.430 -0.372 300 HG22 THR 36 HG22 THR 36 13.273 8.947 0.606 301 HG23 THR 36 HG23 THR 36 13.254 7.371 -0.181 302 H ALA 37 HN ALA 37 11.059 7.022 3.213 303 HA ALA 37 HA ALA 37 10.224 9.634 3.316 304 HB1 ALA 37 HB1 ALA 37 8.440 8.854 4.816 305 HB2 ALA 37 HB2 ALA 37 9.332 7.335 5.008 306 HB3 ALA 37 HB3 ALA 37 8.711 7.803 3.428 307 H THR 38 HN THR 38 10.924 11.293 4.457 308 HA THR 38 HA THR 38 12.322 11.037 6.933 309 HB THR 38 HB THR 38 11.113 13.570 5.774 310 HG1 THR 38 HG1 THR 38 13.272 11.971 4.982 311 HG21 THR 38 HG21 THR 38 13.054 14.637 6.834 312 HG22 THR 38 HG22 THR 38 13.650 13.065 7.357 313 HG23 THR 38 HG23 THR 38 12.154 13.707 8.034 314 H GLU 39 HN GLU 39 9.114 11.241 5.925 315 HA GLU 39 HA GLU 39 7.969 12.187 8.387 316 HB2 GLU 39 HB3 GLU 39 5.810 11.691 7.316 317 HB3 GLU 39 HB2 GLU 39 6.856 12.665 6.298 318 HG2 GLU 39 HG3 GLU 39 7.518 10.541 5.148 319 HG3 GLU 39 HG2 GLU 39 6.194 9.757 6.013 320 H LEU 40 HN LEU 40 9.437 9.407 7.697 321 HA LEU 40 HA LEU 40 7.750 7.878 9.563 322 HB2 LEU 40 HB2 LEU 40 9.973 6.899 7.756 323 HB3 LEU 40 HB1 LEU 40 9.113 5.898 8.902 324 HG LEU 40 HG LEU 40 7.962 7.171 6.421 325 HD11 LEU 40 HD11 LEU 40 8.542 4.312 7.137 326 HD12 LEU 40 HD12 LEU 40 9.423 5.295 5.969 327 HD13 LEU 40 HD13 LEU 40 7.741 4.860 5.666 328 HD21 LEU 40 HD21 LEU 40 6.275 7.075 8.193 329 HD22 LEU 40 HD22 LEU 40 6.632 5.359 8.439 330 HD23 LEU 40 HD23 LEU 40 5.954 5.915 6.903 331 H GLY 41 HN GLY 41 11.150 8.520 8.759 332 HA2 GLY 41 HA3 GLY 41 12.445 9.674 10.488 333 HA3 GLY 41 HA2 GLY 41 11.660 8.612 11.656 334 H GLU 42 HN GLU 42 11.850 6.197 10.622 335 HA GLU 42 HA GLU 42 14.608 5.574 10.990 336 HB2 GLU 42 HB3 GLU 42 12.307 3.798 10.169 337 HB3 GLU 42 HB2 GLU 42 13.923 3.231 10.526 338 HG2 GLU 42 HG3 GLU 42 12.520 2.796 12.407 339 HG3 GLU 42 HG2 GLU 42 13.651 4.070 12.839 340 H GLY 43 HN GLY 43 12.398 5.176 8.268 341 HA2 GLY 43 HA3 GLY 43 12.890 5.042 5.978 342 HA3 GLY 43 HA2 GLY 43 14.606 5.238 6.365 343 H LYS 44 HN LYS 44 11.928 2.974 6.522 344 HA LYS 44 HA LYS 44 13.477 0.844 7.584 345 HB2 LYS 44 HB2 LYS 44 10.715 0.893 6.404 346 HB3 LYS 44 HB1 LYS 44 11.468 -0.556 7.040 347 HG2 LYS 44 HG2 LYS 44 10.846 1.949 8.613 348 HG3 LYS 44 HG1 LYS 44 9.931 0.440 8.658 349 HD2 LYS 44 HD2 LYS 44 12.025 -0.702 9.433 350 HD3 LYS 44 HD1 LYS 44 12.776 0.888 9.564 351 HE2 LYS 44 HE2 LYS 44 12.017 0.259 11.740 352 HE3 LYS 44 HE1 LYS 44 10.949 1.528 11.150 353 HZ1 LYS 44 HZ1 LYS 44 9.705 -0.237 12.186 354 HZ2 LYS 44 HZ2 LYS 44 10.355 -1.387 11.156 355 HZ3 LYS 44 HZ3 LYS 44 9.326 -0.192 10.555 356 H ILE 45 HN ILE 45 12.735 1.778 4.318 357 HA ILE 45 HA ILE 45 13.418 -0.885 3.417 358 HB ILE 45 HB ILE 45 12.510 1.493 1.792 359 HG12 ILE 45 HG12 ILE 45 10.793 0.515 3.303 360 HG13 ILE 45 HG11 ILE 45 10.379 0.332 1.601 361 HG21 ILE 45 HG21 ILE 45 12.240 -0.205 -0.046 362 HG22 ILE 45 HG22 ILE 45 13.119 -1.356 0.992 363 HG23 ILE 45 HG23 ILE 45 13.914 0.086 0.437 364 HD11 ILE 45 HD11 ILE 45 9.848 -1.699 2.808 365 HD12 ILE 45 HD12 ILE 45 11.501 -1.803 3.414 366 HD13 ILE 45 HD13 ILE 45 11.182 -1.975 1.679 367 HA PRO 46 HA PRO 46 17.587 0.423 2.511 368 HB2 PRO 46 HB2 PRO 46 18.343 -2.008 1.508 369 HB3 PRO 46 HB1 PRO 46 18.386 -1.596 3.222 370 HG2 PRO 46 HG2 PRO 46 16.382 -3.142 1.680 371 HG3 PRO 46 HG1 PRO 46 16.999 -3.381 3.360 372 HD2 PRO 46 HD2 PRO 46 14.591 -2.314 2.614 373 HD3 PRO 46 HD1 PRO 46 15.379 -1.949 4.156 374 H TRP 47 HN TRP 47 18.693 0.761 0.676 375 HA TRP 47 HA TRP 47 17.299 1.822 -1.446 376 HB2 TRP 47 HB2 TRP 47 20.221 1.093 -1.406 377 HB3 TRP 47 HB1 TRP 47 19.451 2.370 -2.337 378 HD1 TRP 47 HD1 TRP 47 19.213 4.706 -1.174 379 HE1 TRP 47 HE1 TRP 47 19.862 5.627 1.154 380 HE3 TRP 47 HE3 TRP 47 20.412 0.323 1.171 381 HZ2 TRP 47 HZ2 TRP 47 20.747 4.630 3.629 382 HZ3 TRP 47 HZ3 TRP 47 21.118 0.368 3.487 383 HH2 TRP 47 HH2 TRP 47 21.302 2.486 4.709 384 H GLY 48 HN GLY 48 18.648 -1.393 -1.155 385 HA2 GLY 48 HA3 GLY 48 17.958 -1.820 -3.979 386 HA3 GLY 48 HA2 GLY 48 19.457 -2.431 -3.316 387 H SER 49 HN SER 49 16.282 -2.462 -1.790 388 HA SER 49 HA SER 49 16.420 -5.405 -1.859 389 HB2 SER 49 HB2 SER 49 14.778 -5.268 0.011 390 HB3 SER 49 HB1 SER 49 16.345 -4.539 0.364 391 HG SER 49 HG SER 49 15.442 -2.494 0.109 392 H MET 50 HN MET 50 14.974 -2.837 -3.302 393 HA MET 50 HA MET 50 12.594 -4.367 -3.947 394 HB2 MET 50 HB2 MET 50 11.416 -2.059 -4.017 395 HB3 MET 50 HB1 MET 50 11.650 -2.875 -2.486 396 HG2 MET 50 HG2 MET 50 12.110 -0.556 -2.214 397 HG3 MET 50 HG1 MET 50 13.594 -1.452 -2.040 398 HE1 MET 50 HE1 MET 50 15.016 0.748 -2.263 399 HE2 MET 50 HE2 MET 50 13.543 1.706 -2.444 400 HE3 MET 50 HE3 MET 50 14.865 1.891 -3.596 401 H GLU 51 HN GLU 51 15.134 -3.896 -5.342 402 HA GLU 51 HA GLU 51 14.332 -2.309 -7.642 403 HB2 GLU 51 HB3 GLU 51 16.785 -3.993 -7.186 404 HB3 GLU 51 HB2 GLU 51 16.546 -2.861 -8.498 405 HG2 GLU 51 HG3 GLU 51 16.436 -1.024 -6.860 406 HG3 GLU 51 HG2 GLU 51 16.736 -2.189 -5.573 407 H LYS 52 HN LYS 52 15.247 -5.584 -6.826 408 HA LYS 52 HA LYS 52 14.258 -6.661 -9.351 409 HB2 LYS 52 HB2 LYS 52 15.501 -8.056 -6.979 410 HB3 LYS 52 HB1 LYS 52 15.192 -8.761 -8.559 411 HG2 LYS 52 HG2 LYS 52 16.811 -7.260 -9.568 412 HG3 LYS 52 HG1 LYS 52 17.085 -6.485 -8.010 413 HD2 LYS 52 HD2 LYS 52 18.866 -8.060 -8.417 414 HD3 LYS 52 HD1 LYS 52 17.847 -8.666 -7.115 415 HE2 LYS 52 HE2 LYS 52 18.400 -10.487 -8.590 416 HE3 LYS 52 HE1 LYS 52 16.689 -10.128 -8.749 417 HZ1 LYS 52 HZ1 LYS 52 17.215 -8.875 -10.807 418 HZ2 LYS 52 HZ2 LYS 52 17.668 -10.494 -10.883 419 HZ3 LYS 52 HZ3 LYS 52 18.842 -9.316 -10.627 420 H ALA 53 HN ALA 53 12.727 -5.619 -6.845 421 HA ALA 53 HA ALA 53 11.192 -7.969 -6.129 422 HB1 ALA 53 HB1 ALA 53 11.065 -5.124 -5.162 423 HB2 ALA 53 HB2 ALA 53 11.824 -6.485 -4.326 424 HB3 ALA 53 HB3 ALA 53 10.073 -6.432 -4.540 425 H GLY 54 HN GLY 54 9.004 -8.214 -6.546 426 HA2 GLY 54 HA3 GLY 54 7.811 -6.345 -8.457 427 HA3 GLY 54 HA2 GLY 54 7.546 -8.099 -8.449 428 HA PRO 55 HA PRO 55 4.211 -5.847 -5.947 429 HB2 PRO 55 HB2 PRO 55 2.365 -7.873 -6.611 430 HB3 PRO 55 HB1 PRO 55 2.440 -6.247 -7.285 431 HG2 PRO 55 HG2 PRO 55 3.427 -8.802 -8.406 432 HG3 PRO 55 HG1 PRO 55 2.877 -7.349 -9.243 433 HD2 PRO 55 HD2 PRO 55 5.488 -8.040 -9.091 434 HD3 PRO 55 HD1 PRO 55 4.960 -6.351 -9.144 435 H LEU 56 HN LEU 56 4.911 -9.249 -6.228 436 HA LEU 56 HA LEU 56 3.797 -10.088 -3.727 437 HB2 LEU 56 HB2 LEU 56 4.217 -11.558 -5.716 438 HB3 LEU 56 HB1 LEU 56 5.926 -11.373 -5.457 439 HG LEU 56 HG LEU 56 4.951 -13.577 -4.775 440 HD11 LEU 56 HD11 LEU 56 6.205 -13.789 -2.701 441 HD12 LEU 56 HD12 LEU 56 6.318 -12.031 -2.598 442 HD13 LEU 56 HD13 LEU 56 7.097 -12.886 -3.928 443 HD21 LEU 56 HD21 LEU 56 3.773 -13.716 -2.634 444 HD22 LEU 56 HD22 LEU 56 2.858 -12.801 -3.834 445 HD23 LEU 56 HD23 LEU 56 3.727 -11.957 -2.551 446 H GLU 57 HN GLU 57 7.174 -9.491 -4.720 447 HA GLU 57 HA GLU 57 8.198 -9.894 -2.131 448 HB2 GLU 57 HB3 GLU 57 9.394 -8.359 -4.439 449 HB3 GLU 57 HB2 GLU 57 10.268 -8.787 -2.981 450 HG2 GLU 57 HG3 GLU 57 10.960 -10.324 -4.612 451 HG3 GLU 57 HG2 GLU 57 9.801 -11.211 -3.630 452 H MET 58 HN MET 58 7.132 -7.038 -3.864 453 HA MET 58 HA MET 58 7.979 -5.039 -2.087 454 HB2 MET 58 HB2 MET 58 5.524 -5.165 -3.819 455 HB3 MET 58 HB1 MET 58 6.006 -3.712 -2.962 456 HG2 MET 58 HG2 MET 58 7.687 -5.174 -4.964 457 HG3 MET 58 HG1 MET 58 6.676 -3.802 -5.408 458 HE1 MET 58 HE1 MET 58 9.718 -3.948 -6.161 459 HE2 MET 58 HE2 MET 58 10.172 -2.286 -5.783 460 HE3 MET 58 HE3 MET 58 8.605 -2.644 -6.507 461 H ALA 59 HN ALA 59 4.974 -6.890 -2.175 462 HA ALA 59 HA ALA 59 3.689 -5.709 -0.023 463 HB1 ALA 59 HB1 ALA 59 3.529 -8.576 -0.956 464 HB2 ALA 59 HB2 ALA 59 2.603 -7.226 -1.614 465 HB3 ALA 59 HB3 ALA 59 2.339 -7.748 0.049 466 H GLN 60 HN GLN 60 5.810 -8.523 -0.129 467 HA GLN 60 HA GLN 60 5.710 -9.174 2.597 468 HB2 GLN 60 HB2 GLN 60 7.985 -9.589 0.664 469 HB3 GLN 60 HB1 GLN 60 7.763 -10.429 2.192 470 HG2 GLN 60 HG2 GLN 60 5.683 -11.432 1.322 471 HG3 GLN 60 HG1 GLN 60 5.933 -10.561 -0.173 472 HE21 GLN 60 HE21 GLN 60 5.860 -13.458 0.377 473 HE22 GLN 60 HE22 GLN 60 7.344 -14.058 -0.290 474 H LEU 61 HN LEU 61 7.834 -7.070 0.780 475 HA LEU 61 HA LEU 61 9.598 -6.339 2.788 476 HB2 LEU 61 HB2 LEU 61 8.751 -5.202 0.237 477 HB3 LEU 61 HB1 LEU 61 9.364 -4.009 1.346 478 HG LEU 61 HG LEU 61 11.509 -5.199 1.461 479 HD11 LEU 61 HD11 LEU 61 11.992 -7.066 -0.019 480 HD12 LEU 61 HD12 LEU 61 10.306 -7.105 -0.535 481 HD13 LEU 61 HD13 LEU 61 10.725 -7.488 1.134 482 HD21 LEU 61 HD21 LEU 61 11.185 -3.499 -0.228 483 HD22 LEU 61 HD22 LEU 61 10.547 -4.705 -1.344 484 HD23 LEU 61 HD23 LEU 61 12.233 -4.782 -0.833 485 H LEU 62 HN LEU 62 6.363 -4.808 2.084 486 HA LEU 62 HA LEU 62 6.790 -2.958 4.167 487 HB2 LEU 62 HB2 LEU 62 4.236 -3.837 2.846 488 HB3 LEU 62 HB1 LEU 62 4.314 -2.609 4.082 489 HG LEU 62 HG LEU 62 4.126 -1.416 2.196 490 HD11 LEU 62 HD11 LEU 62 6.196 -0.293 1.687 491 HD12 LEU 62 HD12 LEU 62 7.073 -1.553 2.552 492 HD13 LEU 62 HD13 LEU 62 5.929 -0.522 3.417 493 HD21 LEU 62 HD21 LEU 62 5.987 -3.272 0.791 494 HD22 LEU 62 HD22 LEU 62 5.323 -1.788 0.106 495 HD23 LEU 62 HD23 LEU 62 4.243 -3.113 0.559 496 H ILE 63 HN ILE 63 5.230 -6.112 3.982 497 HA ILE 63 HA ILE 63 4.009 -5.964 6.551 498 HB ILE 63 HB ILE 63 3.708 -7.577 4.373 499 HG12 ILE 63 HG12 ILE 63 2.034 -7.190 6.159 500 HG13 ILE 63 HG11 ILE 63 2.047 -8.859 5.639 501 HG21 ILE 63 HG21 ILE 63 5.132 -9.324 6.362 502 HG22 ILE 63 HG22 ILE 63 5.698 -8.881 4.756 503 HG23 ILE 63 HG23 ILE 63 4.267 -9.902 4.936 504 HD11 ILE 63 HD11 ILE 63 3.263 -7.732 8.137 505 HD12 ILE 63 HD12 ILE 63 3.369 -9.417 7.629 506 HD13 ILE 63 HD13 ILE 63 1.799 -8.712 8.018 507 H THR 64 HN THR 64 7.190 -6.864 5.528 508 HA THR 64 HA THR 64 7.853 -8.188 7.985 509 HB THR 64 HB THR 64 9.664 -7.248 5.752 510 HG1 THR 64 HG1 THR 64 8.191 -8.724 4.989 511 HG21 THR 64 HG21 THR 64 10.868 -7.698 7.861 512 HG22 THR 64 HG22 THR 64 11.244 -8.912 6.640 513 HG23 THR 64 HG23 THR 64 10.117 -9.293 7.943 514 H HIS 65 HN HIS 65 8.410 -4.991 6.593 515 HA HIS 65 HA HIS 65 10.117 -4.296 8.834 516 HB2 HIS 65 HB2 HIS 65 9.316 -2.659 6.426 517 HB3 HIS 65 HB1 HIS 65 10.347 -2.070 7.721 518 HD1 HIS 65 HD1 HIS 65 12.879 -2.765 7.601 519 HD2 HIS 65 HD2 HIS 65 10.474 -4.666 4.788 520 HE1 HIS 65 HE1 HIS 65 14.421 -3.914 6.017 521 H PHE 66 HN PHE 66 7.005 -3.207 7.537 522 HA PHE 66 HA PHE 66 6.554 -1.516 9.818 523 HB2 PHE 66 HB2 PHE 66 4.774 -2.171 7.463 524 HB3 PHE 66 HB1 PHE 66 4.494 -0.903 8.654 525 HD1 PHE 66 HD1 PHE 66 6.640 -2.008 5.920 526 HD2 PHE 66 HD2 PHE 66 5.685 1.164 8.555 527 HE1 PHE 66 HE1 PHE 66 8.069 -0.515 4.614 528 HE2 PHE 66 HE2 PHE 66 7.110 2.675 7.250 529 HZ PHE 66 HZ PHE 66 8.319 1.797 5.273 530 H GLY 67 HN GLY 67 4.348 -3.926 8.410 531 HA2 GLY 67 HA3 GLY 67 3.976 -5.694 10.421 532 HA3 GLY 67 HA2 GLY 67 3.113 -4.248 10.972 533 HA PRO 68 HA PRO 68 0.575 -6.805 7.922 534 HB2 PRO 68 HB2 PRO 68 -1.552 -7.338 9.562 535 HB3 PRO 68 HB1 PRO 68 -0.175 -8.418 9.353 536 HG2 PRO 68 HG2 PRO 68 -0.717 -6.483 11.569 537 HG3 PRO 68 HG1 PRO 68 -0.030 -8.110 11.651 538 HD2 PRO 68 HD2 PRO 68 1.489 -5.862 11.788 539 HD3 PRO 68 HD1 PRO 68 2.099 -7.366 11.083 540 H GLU 69 HN GLU 69 -0.758 -4.606 10.406 541 HA GLU 69 HA GLU 69 -2.717 -3.580 8.590 542 HB2 GLU 69 HB3 GLU 69 -1.889 -2.836 11.356 543 HB3 GLU 69 HB2 GLU 69 -3.081 -1.906 10.449 544 HG2 GLU 69 HG3 GLU 69 -3.260 -4.815 11.189 545 HG3 GLU 69 HG2 GLU 69 -4.152 -3.457 11.887 546 H GLU 70 HN GLU 70 0.315 -2.555 9.951 547 HA GLU 70 HA GLU 70 0.226 0.078 9.046 548 HB2 GLU 70 HB3 GLU 70 1.619 -0.899 10.883 549 HB3 GLU 70 HB2 GLU 70 2.703 -1.512 9.649 550 HG2 GLU 70 HG3 GLU 70 3.314 0.702 8.984 551 HG3 GLU 70 HG2 GLU 70 2.021 1.398 9.953 552 H ALA 71 HN ALA 71 1.653 -2.838 7.629 553 HA ALA 71 HA ALA 71 2.960 -1.764 5.416 554 HB1 ALA 71 HB1 ALA 71 3.110 -4.116 6.030 555 HB2 ALA 71 HB2 ALA 71 2.623 -3.951 4.342 556 HB3 ALA 71 HB3 ALA 71 1.427 -4.353 5.571 557 H TRP 72 HN TRP 72 -0.369 -2.883 5.678 558 HA TRP 72 HA TRP 72 -1.087 -2.306 3.041 559 HB2 TRP 72 HB2 TRP 72 -2.433 -3.881 4.210 560 HB3 TRP 72 HB1 TRP 72 -2.704 -2.772 5.546 561 HD1 TRP 72 HD1 TRP 72 -5.190 -2.236 5.554 562 HE1 TRP 72 HE1 TRP 72 -6.913 -1.461 3.828 563 HE3 TRP 72 HE3 TRP 72 -2.324 -2.544 1.339 564 HZ2 TRP 72 HZ2 TRP 72 -7.044 -1.027 1.069 565 HZ3 TRP 72 HZ3 TRP 72 -3.336 -1.930 -0.816 566 HH2 TRP 72 HH2 TRP 72 -5.650 -1.193 -0.943 567 H ARG 73 HN ARG 73 -1.398 -0.442 5.993 568 HA ARG 73 HA ARG 73 -2.814 1.692 4.850 569 HB2 ARG 73 HB2 ARG 73 -2.569 1.168 7.261 570 HB3 ARG 73 HB1 ARG 73 -0.920 1.768 7.191 571 HG2 ARG 73 HG2 ARG 73 -1.777 3.986 6.619 572 HG3 ARG 73 HG1 ARG 73 -3.430 3.355 6.689 573 HD2 ARG 73 HD2 ARG 73 -1.434 3.463 8.935 574 HD3 ARG 73 HD1 ARG 73 -2.906 4.421 8.785 575 HE ARG 73 HE ARG 73 -4.072 2.145 8.849 576 HH11 ARG 73 HH11 ARG 73 -1.036 2.785 10.596 577 HH12 ARG 73 HH12 ARG 73 -1.368 1.690 11.839 578 HH21 ARG 73 HH21 ARG 73 -4.505 0.593 10.564 579 HH22 ARG 73 HH22 ARG 73 -3.400 0.420 11.830 580 H LEU 74 HN LEU 74 0.628 1.102 5.387 581 HA LEU 74 HA LEU 74 1.672 3.477 4.419 582 HB2 LEU 74 HB2 LEU 74 2.679 0.773 4.927 583 HB3 LEU 74 HB1 LEU 74 3.542 1.615 3.666 584 HG LEU 74 HG LEU 74 4.592 1.806 5.915 585 HD11 LEU 74 HD11 LEU 74 5.046 3.440 4.204 586 HD12 LEU 74 HD12 LEU 74 5.047 4.180 5.796 587 HD13 LEU 74 HD13 LEU 74 3.664 4.407 4.717 588 HD21 LEU 74 HD21 LEU 74 2.172 3.490 6.576 589 HD22 LEU 74 HD22 LEU 74 3.608 3.296 7.581 590 HD23 LEU 74 HD23 LEU 74 2.553 1.915 7.273 591 H ALA 75 HN ALA 75 0.865 0.523 2.643 592 HA ALA 75 HA ALA 75 1.828 1.549 0.152 593 HB1 ALA 75 HB1 ALA 75 1.602 -0.836 0.473 594 HB2 ALA 75 HB2 ALA 75 0.653 -0.267 -0.893 595 HB3 ALA 75 HB3 ALA 75 -0.152 -0.658 0.629 596 H LEU 76 HN LEU 76 -1.479 1.297 1.522 597 HA LEU 76 HA LEU 76 -2.648 2.372 -0.793 598 HB2 LEU 76 HB2 LEU 76 -4.747 2.433 0.336 599 HB3 LEU 76 HB1 LEU 76 -3.907 1.034 0.939 600 HG LEU 76 HG LEU 76 -3.299 2.658 2.933 601 HD11 LEU 76 HD11 LEU 76 -5.876 3.847 1.903 602 HD12 LEU 76 HD12 LEU 76 -4.308 4.657 1.944 603 HD13 LEU 76 HD13 LEU 76 -5.113 4.214 3.451 604 HD21 LEU 76 HD21 LEU 76 -6.006 1.406 2.587 605 HD22 LEU 76 HD22 LEU 76 -5.296 1.908 4.119 606 HD23 LEU 76 HD23 LEU 76 -4.545 0.617 3.178 607 H SER 77 HN SER 77 -1.613 3.937 2.180 608 HA SER 77 HA SER 77 -2.485 6.519 1.288 609 HB2 SER 77 HB2 SER 77 -1.044 5.428 3.670 610 HB3 SER 77 HB1 SER 77 -1.251 7.196 3.482 611 HG SER 77 HG SER 77 -3.613 6.360 3.219 612 H THR 78 HN THR 78 0.087 4.685 0.314 613 HA THR 78 HA THR 78 1.664 7.079 -0.231 614 HB THR 78 HB THR 78 2.426 4.146 -0.379 615 HG1 THR 78 HG1 THR 78 2.667 4.716 1.604 616 HG21 THR 78 HG21 THR 78 4.144 6.545 -1.074 617 HG22 THR 78 HG22 THR 78 3.536 5.356 -2.225 618 HG23 THR 78 HG23 THR 78 4.697 4.872 -0.987 619 H PHE 79 HN PHE 79 -0.383 4.702 -1.670 620 HA PHE 79 HA PHE 79 0.333 4.881 -4.351 621 HB2 PHE 79 HB2 PHE 79 -2.407 4.565 -3.119 622 HB3 PHE 79 HB1 PHE 79 -2.107 4.388 -4.853 623 HD1 PHE 79 HD1 PHE 79 0.554 2.871 -4.420 624 HD2 PHE 79 HD2 PHE 79 -3.333 2.487 -2.755 625 HE1 PHE 79 HE1 PHE 79 0.973 0.487 -3.983 626 HE2 PHE 79 HE2 PHE 79 -2.925 0.102 -2.317 627 HZ PHE 79 HZ PHE 79 -0.766 -0.903 -2.933 628 H GLU 80 HN GLU 80 -1.873 6.891 -2.484 629 HA GLU 80 HA GLU 80 -2.560 8.592 -4.622 630 HB2 GLU 80 HB3 GLU 80 -3.391 10.148 -2.836 631 HB3 GLU 80 HB2 GLU 80 -3.978 8.504 -2.705 632 HG2 GLU 80 HG3 GLU 80 -2.797 8.108 -0.794 633 HG3 GLU 80 HG2 GLU 80 -1.584 9.336 -1.165 634 H ARG 81 HN ARG 81 0.201 8.495 -2.601 635 HA ARG 81 HA ARG 81 0.956 11.262 -2.802 636 HB2 ARG 81 HB2 ARG 81 2.607 8.890 -1.971 637 HB3 ARG 81 HB1 ARG 81 2.976 10.584 -1.672 638 HG2 ARG 81 HG2 ARG 81 0.567 9.139 -0.611 639 HG3 ARG 81 HG1 ARG 81 2.072 9.411 0.264 640 HD2 ARG 81 HD2 ARG 81 1.748 11.715 0.342 641 HD3 ARG 81 HD1 ARG 81 0.512 11.665 -0.914 642 HE ARG 81 HE ARG 81 -1.019 10.741 0.632 643 HH11 ARG 81 HH11 ARG 81 2.011 11.627 2.264 644 HH12 ARG 81 HH12 ARG 81 1.242 11.881 3.760 645 HH21 ARG 81 HH21 ARG 81 -2.005 11.020 2.594 646 HH22 ARG 81 HH22 ARG 81 -1.103 11.468 3.989 647 H ILE 82 HN ILE 82 1.376 8.441 -4.683 648 HA ILE 82 HA ILE 82 3.530 9.713 -6.206 649 HB ILE 82 HB ILE 82 3.986 7.518 -7.193 650 HG12 ILE 82 HG12 ILE 82 1.784 6.466 -5.387 651 HG13 ILE 82 HG11 ILE 82 1.643 6.646 -7.128 652 HG21 ILE 82 HG21 ILE 82 5.128 8.104 -5.135 653 HG22 ILE 82 HG22 ILE 82 4.787 6.373 -5.145 654 HG23 ILE 82 HG23 ILE 82 3.790 7.467 -4.184 655 HD11 ILE 82 HD11 ILE 82 3.416 4.984 -7.430 656 HD12 ILE 82 HD12 ILE 82 2.058 4.341 -6.502 657 HD13 ILE 82 HD13 ILE 82 3.542 4.816 -5.679 658 H ASN 83 HN ASN 83 0.572 10.187 -6.205 659 HA ASN 83 HA ASN 83 -0.981 10.956 -7.624 660 HB2 ASN 83 HB3 ASN 83 1.068 11.800 -8.934 661 HB3 ASN 83 HB2 ASN 83 0.892 10.381 -9.952 662 HD21 ASN 83 HD21 ASN 83 -1.791 12.282 -8.660 663 HD22 ASN 83 HD22 ASN 83 -2.317 12.895 -10.177 664 H ARG 84 HN ARG 84 -0.841 8.271 -6.818 665 HA ARG 84 HA ARG 84 -2.526 7.112 -8.882 666 HB2 ARG 84 HB2 ARG 84 -0.455 5.837 -8.760 667 HB3 ARG 84 HB1 ARG 84 -0.574 5.736 -7.031 668 HG2 ARG 84 HG2 ARG 84 -1.138 3.611 -8.224 669 HG3 ARG 84 HG1 ARG 84 -2.358 4.186 -7.094 670 HD2 ARG 84 HD2 ARG 84 -3.502 3.428 -9.010 671 HD3 ARG 84 HD1 ARG 84 -3.541 5.180 -9.019 672 HE ARG 84 HE ARG 84 -1.517 4.882 -10.587 673 HH11 ARG 84 HH11 ARG 84 -4.567 2.973 -10.663 674 HH12 ARG 84 HH12 ARG 84 -4.285 2.410 -12.229 675 HH21 ARG 84 HH21 ARG 84 -1.212 4.053 -12.790 676 HH22 ARG 84 HH22 ARG 84 -2.371 3.010 -13.445 677 H LYS 85 HN LYS 85 -3.955 8.591 -7.576 678 HA LYS 85 HA LYS 85 -4.808 7.723 -4.945 679 HB2 LYS 85 HB2 LYS 85 -4.796 10.107 -5.890 680 HB3 LYS 85 HB1 LYS 85 -6.209 9.635 -6.825 681 HG2 LYS 85 HG2 LYS 85 -7.395 9.156 -4.772 682 HG3 LYS 85 HG1 LYS 85 -5.967 9.589 -3.826 683 HD2 LYS 85 HD2 LYS 85 -6.071 11.857 -4.884 684 HD3 LYS 85 HD1 LYS 85 -7.614 11.387 -5.597 685 HE2 LYS 85 HE2 LYS 85 -8.087 12.611 -3.613 686 HE3 LYS 85 HE1 LYS 85 -8.441 10.920 -3.287 687 HZ1 LYS 85 HZ1 LYS 85 -6.020 12.404 -2.461 688 HZ2 LYS 85 HZ2 LYS 85 -6.223 10.774 -2.115 689 HZ3 LYS 85 HZ3 LYS 85 -7.238 11.931 -1.436 690 H ASP 86 HN ASP 86 -5.391 7.021 -8.180 691 HA ASP 86 HA ASP 86 -7.957 6.088 -8.305 692 HB2 ASP 86 HB2 ASP 86 -6.810 6.261 -10.326 693 HB3 ASP 86 HB1 ASP 86 -5.417 5.382 -9.730 694 H LEU 87 HN LEU 87 -5.046 4.463 -7.227 695 HA LEU 87 HA LEU 87 -6.332 1.896 -6.840 696 HB2 LEU 87 HB2 LEU 87 -3.966 2.230 -7.620 697 HB3 LEU 87 HB1 LEU 87 -3.609 2.817 -6.002 698 HG LEU 87 HG LEU 87 -3.987 0.657 -5.099 699 HD11 LEU 87 HD11 LEU 87 -4.443 -1.249 -6.633 700 HD12 LEU 87 HD12 LEU 87 -4.670 -0.080 -7.951 701 HD13 LEU 87 HD13 LEU 87 -5.761 -0.081 -6.565 702 HD21 LEU 87 HD21 LEU 87 -1.822 1.226 -5.955 703 HD22 LEU 87 HD22 LEU 87 -2.285 0.674 -7.560 704 HD23 LEU 87 HD23 LEU 87 -2.141 -0.490 -6.235 705 H TRP 88 HN TRP 88 -5.244 4.623 -5.046 706 HA TRP 88 HA TRP 88 -5.428 3.759 -2.407 707 HB2 TRP 88 HB2 TRP 88 -4.396 5.830 -3.067 708 HB3 TRP 88 HB1 TRP 88 -5.881 6.391 -3.779 709 HD1 TRP 88 HD1 TRP 88 -4.330 5.788 -0.364 710 HE1 TRP 88 HE1 TRP 88 -5.543 7.296 1.385 711 HE3 TRP 88 HE3 TRP 88 -7.969 7.589 -3.324 712 HZ2 TRP 88 HZ2 TRP 88 -7.794 9.006 1.438 713 HZ3 TRP 88 HZ3 TRP 88 -9.605 9.121 -2.445 714 HH2 TRP 88 HH2 TRP 88 -9.547 9.841 -0.081 715 H GLU 89 HN GLU 89 -7.792 5.244 -4.532 716 HA GLU 89 HA GLU 89 -10.055 5.243 -2.871 717 HB2 GLU 89 HB3 GLU 89 -9.869 5.057 -5.864 718 HB3 GLU 89 HB2 GLU 89 -11.371 5.321 -4.996 719 HG2 GLU 89 HG3 GLU 89 -10.386 7.415 -4.087 720 HG3 GLU 89 HG2 GLU 89 -8.967 7.122 -5.094 721 H ARG 90 HN ARG 90 -8.563 2.642 -4.514 722 HA ARG 90 HA ARG 90 -10.917 0.927 -4.451 723 HB2 ARG 90 HB2 ARG 90 -8.055 0.128 -4.960 724 HB3 ARG 90 HB1 ARG 90 -9.491 -0.813 -5.323 725 HG2 ARG 90 HG2 ARG 90 -10.094 0.895 -6.997 726 HG3 ARG 90 HG1 ARG 90 -8.573 1.730 -6.653 727 HD2 ARG 90 HD2 ARG 90 -7.536 -0.633 -7.113 728 HD3 ARG 90 HD1 ARG 90 -9.058 -0.911 -7.932 729 HE ARG 90 HE ARG 90 -7.897 1.510 -8.834 730 HH11 ARG 90 HH11 ARG 90 -7.686 -1.986 -9.139 731 HH12 ARG 90 HH12 ARG 90 -6.859 -2.002 -10.607 732 HH21 ARG 90 HH21 ARG 90 -6.720 1.585 -10.801 733 HH22 ARG 90 HH22 ARG 90 -6.294 0.142 -11.636 734 H GLY 91 HN GLY 91 -8.208 1.758 -2.566 735 HA2 GLY 91 HA3 GLY 91 -8.072 -0.515 -0.870 736 HA3 GLY 91 HA2 GLY 91 -7.408 1.080 -0.524 737 H GLN 92 HN GLN 92 -8.994 2.745 0.116 738 HA GLN 92 HA GLN 92 -10.927 1.475 1.849 739 HB2 GLN 92 HB2 GLN 92 -11.169 3.762 2.928 740 HB3 GLN 92 HB1 GLN 92 -9.642 2.943 3.167 741 HG2 GLN 92 HG2 GLN 92 -8.599 4.385 1.491 742 HG3 GLN 92 HG1 GLN 92 -10.149 5.178 1.204 743 HE21 GLN 92 HE21 GLN 92 -10.937 5.206 3.999 744 HE22 GLN 92 HE22 GLN 92 -9.963 6.385 4.780 745 H ARG 93 HN ARG 93 -12.688 1.063 0.911 746 HA ARG 93 HA ARG 93 -14.068 3.195 -0.559 747 HB2 ARG 93 HB2 ARG 93 -14.744 1.783 -2.365 748 HB3 ARG 93 HB1 ARG 93 -13.005 1.642 -2.224 749 HG2 ARG 93 HG2 ARG 93 -14.976 -0.402 -1.163 750 HG3 ARG 93 HG1 ARG 93 -14.192 -0.500 -2.736 751 HD2 ARG 93 HD2 ARG 93 -12.032 -0.700 -1.703 752 HD3 ARG 93 HD1 ARG 93 -12.707 -0.382 -0.114 753 HE ARG 93 HE ARG 93 -14.030 -2.606 -0.895 754 HH11 ARG 93 HH11 ARG 93 -10.601 -1.781 -0.775 755 HH12 ARG 93 HH12 ARG 93 -10.078 -3.356 -0.450 756 HH21 ARG 93 HH21 ARG 93 -13.343 -4.749 -0.351 757 HH22 ARG 93 HH22 ARG 93 -11.689 -5.099 -0.146 758 H GLU 94 HN GLU 94 -14.265 0.356 1.493 759 HA GLU 94 HA GLU 94 -17.117 0.816 1.738 760 HB2 GLU 94 HB3 GLU 94 -17.463 -1.623 1.881 761 HB3 GLU 94 HB2 GLU 94 -16.833 -1.136 0.315 762 HG2 GLU 94 HG3 GLU 94 -14.583 -1.849 1.059 763 HG3 GLU 94 HG2 GLU 94 -15.299 -2.432 2.557 764 H ASP 95 HN ASP 95 -17.897 0.684 3.743 765 HA ASP 95 HA ASP 95 -18.059 0.722 5.930 766 HB2 ASP 95 HB2 ASP 95 -17.322 -1.761 5.481 767 HB3 ASP 95 HB1 ASP 95 -15.794 -1.233 6.188 768 H LEU 96 HN LEU 96 -16.127 0.591 7.991 769 HA LEU 96 HA LEU 96 -14.157 2.625 7.311 770 HB2 LEU 96 HB2 LEU 96 -16.258 3.846 7.707 771 HB3 LEU 96 HB1 LEU 96 -16.366 3.128 9.298 772 HG LEU 96 HG LEU 96 -14.225 4.298 9.893 773 HD11 LEU 96 HD11 LEU 96 -13.505 6.172 8.504 774 HD12 LEU 96 HD12 LEU 96 -14.660 5.691 7.260 775 HD13 LEU 96 HD13 LEU 96 -13.318 4.625 7.684 776 HD21 LEU 96 HD21 LEU 96 -16.388 5.204 10.568 777 HD22 LEU 96 HD22 LEU 96 -16.524 6.054 9.033 778 HD23 LEU 96 HD23 LEU 96 -15.262 6.503 10.183 779 H VAL 97 HN VAL 97 -12.563 2.859 8.957 780 HA VAL 97 HA VAL 97 -12.404 0.666 10.804 781 HB VAL 97 HB VAL 97 -10.361 1.493 9.656 782 HG11 VAL 97 HG11 VAL 97 -9.308 3.621 10.298 783 HG12 VAL 97 HG12 VAL 97 -10.738 4.003 11.265 784 HG13 VAL 97 HG13 VAL 97 -10.879 3.853 9.520 785 HG21 VAL 97 HG21 VAL 97 -10.080 0.325 11.758 786 HG22 VAL 97 HG22 VAL 97 -10.302 1.830 12.646 787 HG23 VAL 97 HG23 VAL 97 -8.872 1.612 11.630 788 H ARG 98 HN ARG 98 -12.813 0.788 12.993 789 HA ARG 98 HA ARG 98 -13.563 3.382 14.112 790 HB2 ARG 98 HB2 ARG 98 -15.355 0.954 14.015 791 HB3 ARG 98 HB1 ARG 98 -15.665 2.382 14.988 792 HG2 ARG 98 HG2 ARG 98 -16.154 3.697 13.142 793 HG3 ARG 98 HG1 ARG 98 -15.266 2.648 12.040 794 HD2 ARG 98 HD2 ARG 98 -17.868 1.981 13.403 795 HD3 ARG 98 HD1 ARG 98 -17.646 2.438 11.704 796 HE ARG 98 HE ARG 98 -16.360 0.044 12.845 797 HH11 ARG 98 HH11 ARG 98 -18.593 1.415 10.449 798 HH12 ARG 98 HH12 ARG 98 -18.408 0.062 9.407 799 HH21 ARG 98 HH21 ARG 98 -16.201 -1.696 11.483 800 HH22 ARG 98 HH22 ARG 98 -16.991 -1.716 9.950 801 H ASP 99 HN ASP 99 -13.824 3.291 16.421 802 HA ASP 99 HA ASP 99 -12.662 0.934 17.731 803 HB2 ASP 99 HB2 ASP 99 -12.145 3.857 18.292 804 HB3 ASP 99 HB1 ASP 99 -11.878 2.623 19.511 805 H THR 100 HN THR 100 -15.459 2.230 17.179 806 HA THR 100 HA THR 100 -16.283 2.437 19.957 807 HB THR 100 HB THR 100 -17.751 3.292 17.444 808 HG1 THR 100 HG1 THR 100 -16.521 4.800 19.515 809 HG21 THR 100 HG21 THR 100 -18.455 3.758 20.352 810 HG22 THR 100 HG22 THR 100 -19.302 2.657 19.272 811 HG23 THR 100 HG23 THR 100 -19.332 4.394 18.963 812 H VAL 101 HN VAL 101 -17.950 1.163 17.009 813 HA VAL 101 HA VAL 101 -18.931 -0.977 18.736 814 HB VAL 101 HB VAL 101 -19.900 -0.182 15.970 815 HG11 VAL 101 HG11 VAL 101 -21.135 -2.047 17.998 816 HG12 VAL 101 HG12 VAL 101 -20.349 -2.526 16.498 817 HG13 VAL 101 HG13 VAL 101 -21.844 -1.588 16.448 818 HG21 VAL 101 HG21 VAL 101 -21.093 0.408 18.680 819 HG22 VAL 101 HG22 VAL 101 -21.805 0.840 17.119 820 HG23 VAL 101 HG23 VAL 101 -20.272 1.558 17.629 821 H GLU 102 HN GLU 102 -18.122 -0.821 15.276 822 HA GLU 102 HA GLU 102 -16.758 -3.377 15.601 823 HB2 GLU 102 HB3 GLU 102 -18.002 -2.082 13.174 824 HB3 GLU 102 HB2 GLU 102 -16.981 -3.503 13.083 825 HG2 GLU 102 HG3 GLU 102 -19.603 -3.292 14.547 826 HG3 GLU 102 HG2 GLU 102 -19.327 -4.096 13.002 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 -13.367 -15.730 8.942 2 H2 GLY 1 HT2 GLY 1 -13.050 -14.116 9.339 3 H3 GLY 1 HT3 GLY 1 -14.238 -14.506 8.180 4 HA2 GLY 1 HA2 GLY 1 -14.335 -15.250 11.027 5 HA3 GLY 1 HA3 GLY 1 -15.254 -13.936 10.295 6 H HIS 2 HN HIS 2 -17.120 -15.107 11.062 7 HA HIS 2 HA HIS 2 -18.982 -16.284 10.773 8 HB2 HIS 2 HB2 HIS 2 -18.893 -15.495 8.416 9 HB3 HIS 2 HB1 HIS 2 -17.932 -16.901 7.986 10 HD1 HIS 2 HD1 HIS 2 -21.440 -15.818 8.658 11 HD2 HIS 2 HD2 HIS 2 -19.381 -19.316 7.808 12 HE1 HIS 2 HE1 HIS 2 -23.191 -17.538 8.069 13 H MET 3 HN MET 3 -16.806 -18.324 8.912 14 HA MET 3 HA MET 3 -17.087 -20.372 10.994 15 HB2 MET 3 HB2 MET 3 -18.709 -20.843 9.213 16 HB3 MET 3 HB1 MET 3 -17.414 -20.825 8.029 17 HG2 MET 3 HG2 MET 3 -16.460 -22.820 8.980 18 HG3 MET 3 HG1 MET 3 -17.642 -22.787 10.293 19 HE1 MET 3 HE1 MET 3 -18.873 -23.416 5.894 20 HE2 MET 3 HE2 MET 3 -17.220 -23.033 6.386 21 HE3 MET 3 HE3 MET 3 -18.506 -21.842 6.590 22 H LEU 4 HN LEU 4 -15.102 -18.615 8.901 23 HA LEU 4 HA LEU 4 -12.894 -20.465 9.419 24 HB2 LEU 4 HB2 LEU 4 -13.253 -18.512 7.132 25 HB3 LEU 4 HB1 LEU 4 -11.709 -19.228 7.522 26 HG LEU 4 HG LEU 4 -12.588 -20.382 5.650 27 HD11 LEU 4 HD11 LEU 4 -12.951 -22.123 8.063 28 HD12 LEU 4 HD12 LEU 4 -11.445 -21.786 7.212 29 HD13 LEU 4 HD13 LEU 4 -12.732 -22.676 6.403 30 HD21 LEU 4 HD21 LEU 4 -14.937 -19.824 5.798 31 HD22 LEU 4 HD22 LEU 4 -15.115 -20.836 7.233 32 HD23 LEU 4 HD23 LEU 4 -14.757 -21.576 5.673 33 H ARG 5 HN ARG 5 -12.035 -19.772 11.220 34 HA ARG 5 HA ARG 5 -12.054 -17.024 11.972 35 HB2 ARG 5 HB2 ARG 5 -12.360 -18.753 13.667 36 HB3 ARG 5 HB1 ARG 5 -10.784 -19.428 13.302 37 HG2 ARG 5 HG2 ARG 5 -10.751 -18.139 15.370 38 HG3 ARG 5 HG1 ARG 5 -9.710 -17.408 14.144 39 HD2 ARG 5 HD2 ARG 5 -11.565 -15.844 13.594 40 HD3 ARG 5 HD1 ARG 5 -12.481 -16.528 14.938 41 HE ARG 5 HE ARG 5 -10.350 -15.830 16.221 42 HH11 ARG 5 HH11 ARG 5 -12.003 -13.991 13.668 43 HH12 ARG 5 HH12 ARG 5 -11.519 -12.477 14.257 44 HH21 ARG 5 HH21 ARG 5 -9.684 -13.710 17.024 45 HH22 ARG 5 HH22 ARG 5 -10.206 -12.309 16.229 46 H THR 6 HN THR 6 -9.706 -19.164 10.528 47 HA THR 6 HA THR 6 -7.439 -17.556 11.073 48 HB THR 6 HB THR 6 -7.817 -19.538 8.798 49 HG1 THR 6 HG1 THR 6 -7.890 -20.987 10.288 50 HG21 THR 6 HG21 THR 6 -5.762 -18.171 8.648 51 HG22 THR 6 HG22 THR 6 -5.380 -19.854 9.019 52 HG23 THR 6 HG23 THR 6 -5.337 -18.640 10.294 53 H ALA 7 HN ALA 7 -9.967 -17.435 8.716 54 HA ALA 7 HA ALA 7 -8.508 -15.518 7.075 55 HB1 ALA 7 HB1 ALA 7 -11.216 -16.789 6.655 56 HB2 ALA 7 HB2 ALA 7 -9.702 -17.314 5.915 57 HB3 ALA 7 HB3 ALA 7 -10.378 -15.734 5.518 58 H GLY 8 HN GLY 8 -9.342 -13.422 6.717 59 HA2 GLY 8 HA3 GLY 8 -11.483 -12.098 7.260 60 HA3 GLY 8 HA2 GLY 8 -11.028 -12.458 8.918 61 H ARG 9 HN ARG 9 -8.237 -12.265 8.544 62 HA ARG 9 HA ARG 9 -7.943 -9.421 7.905 63 HB2 ARG 9 HB2 ARG 9 -7.852 -9.675 10.323 64 HB3 ARG 9 HB1 ARG 9 -6.649 -10.945 10.175 65 HG2 ARG 9 HG2 ARG 9 -5.063 -9.330 9.208 66 HG3 ARG 9 HG1 ARG 9 -6.264 -8.057 9.391 67 HD2 ARG 9 HD2 ARG 9 -5.099 -9.685 11.646 68 HD3 ARG 9 HD1 ARG 9 -4.580 -8.065 11.195 69 HE ARG 9 HE ARG 9 -7.374 -8.205 11.684 70 HH11 ARG 9 HH11 ARG 9 -4.227 -7.931 13.324 71 HH12 ARG 9 HH12 ARG 9 -4.849 -7.138 14.676 72 HH21 ARG 9 HH21 ARG 9 -8.218 -7.075 13.589 73 HH22 ARG 9 HH22 ARG 9 -7.129 -6.646 14.814 74 H ASP 10 HN ASP 10 -6.649 -9.165 6.246 75 HA ASP 10 HA ASP 10 -4.244 -10.811 6.059 76 HB2 ASP 10 HB2 ASP 10 -4.626 -11.413 3.879 77 HB3 ASP 10 HB1 ASP 10 -6.308 -11.074 4.242 78 H GLY 11 HN GLY 11 -2.475 -9.649 5.382 79 HA2 GLY 11 HA3 GLY 11 -2.844 -6.830 4.722 80 HA3 GLY 11 HA2 GLY 11 -1.827 -7.246 6.103 81 H LEU 12 HN LEU 12 -2.159 -9.188 3.302 82 HA LEU 12 HA LEU 12 0.497 -8.441 2.357 83 HB2 LEU 12 HB2 LEU 12 0.960 -10.157 4.017 84 HB3 LEU 12 HB1 LEU 12 -0.201 -11.232 3.279 85 HG LEU 12 HG LEU 12 1.249 -11.378 1.273 86 HD11 LEU 12 HD11 LEU 12 2.366 -9.245 1.449 87 HD12 LEU 12 HD12 LEU 12 3.542 -10.560 1.395 88 HD13 LEU 12 HD13 LEU 12 3.175 -9.765 2.928 89 HD21 LEU 12 HD21 LEU 12 2.590 -12.069 3.883 90 HD22 LEU 12 HD22 LEU 12 2.981 -12.755 2.306 91 HD23 LEU 12 HD23 LEU 12 1.402 -13.054 3.031 92 H CYS 13 HN CYS 13 -2.211 -10.697 1.982 93 HA CYS 13 HA CYS 13 -1.724 -11.289 -0.703 94 HB2 CYS 13 HB2 CYS 13 -3.087 -12.698 0.775 95 HB3 CYS 13 HB1 CYS 13 -4.292 -11.431 0.899 96 HG CYS 13 HG CYS 13 -3.543 -12.566 -2.186 97 H ARG 14 HN ARG 14 -3.985 -9.056 0.832 98 HA ARG 14 HA ARG 14 -5.208 -7.945 -1.462 99 HB2 ARG 14 HB2 ARG 14 -5.803 -7.833 1.017 100 HB3 ARG 14 HB1 ARG 14 -4.628 -6.540 1.122 101 HG2 ARG 14 HG2 ARG 14 -5.960 -5.318 -0.603 102 HG3 ARG 14 HG1 ARG 14 -7.192 -6.577 -0.440 103 HD2 ARG 14 HD2 ARG 14 -6.229 -4.626 1.631 104 HD3 ARG 14 HD1 ARG 14 -7.868 -4.866 1.030 105 HE ARG 14 HE ARG 14 -6.840 -7.222 2.304 106 HH11 ARG 14 HH11 ARG 14 -8.328 -4.076 3.034 107 HH12 ARG 14 HH12 ARG 14 -8.869 -4.567 4.563 108 HH21 ARG 14 HH21 ARG 14 -7.552 -7.859 4.291 109 HH22 ARG 14 HH22 ARG 14 -8.438 -6.817 5.322 110 H LEU 15 HN LEU 15 -2.522 -7.024 0.538 111 HA LEU 15 HA LEU 15 -1.733 -4.597 -0.500 112 HB2 LEU 15 HB2 LEU 15 -0.982 -5.535 1.603 113 HB3 LEU 15 HB1 LEU 15 -0.201 -6.855 0.772 114 HG LEU 15 HG LEU 15 1.466 -5.301 -0.134 115 HD11 LEU 15 HD11 LEU 15 0.056 -3.305 -0.213 116 HD12 LEU 15 HD12 LEU 15 1.564 -3.035 0.660 117 HD13 LEU 15 HD13 LEU 15 0.061 -3.257 1.551 118 HD21 LEU 15 HD21 LEU 15 1.073 -5.127 2.840 119 HD22 LEU 15 HD22 LEU 15 2.577 -4.809 1.974 120 HD23 LEU 15 HD23 LEU 15 1.878 -6.428 1.966 121 H SER 16 HN SER 16 -0.483 -7.833 -1.205 122 HA SER 16 HA SER 16 1.307 -7.163 -3.225 123 HB2 SER 16 HB2 SER 16 1.149 -9.311 -1.882 124 HB3 SER 16 HB1 SER 16 -0.204 -9.770 -2.902 125 HG SER 16 HG SER 16 1.114 -10.007 -4.589 126 H THR 17 HN THR 17 -2.106 -8.140 -3.365 127 HA THR 17 HA THR 17 -2.385 -8.412 -6.117 128 HB THR 17 HB THR 17 -4.462 -7.593 -4.064 129 HG1 THR 17 HG1 THR 17 -3.607 -9.584 -3.549 130 HG21 THR 17 HG21 THR 17 -4.824 -8.768 -6.835 131 HG22 THR 17 HG22 THR 17 -5.255 -7.129 -6.344 132 HG23 THR 17 HG23 THR 17 -6.112 -8.510 -5.659 133 H TYR 18 HN TYR 18 -2.730 -5.465 -4.133 134 HA TYR 18 HA TYR 18 -3.483 -3.971 -6.463 135 HB2 TYR 18 HB2 TYR 18 -3.062 -3.133 -3.612 136 HB3 TYR 18 HB1 TYR 18 -3.327 -1.954 -4.899 137 HD1 TYR 18 HD2 TYR 18 -5.394 -2.310 -6.371 138 HD2 TYR 18 HD1 TYR 18 -4.908 -4.110 -2.556 139 HE1 TYR 18 HE2 TYR 18 -7.817 -2.668 -6.246 140 HE2 TYR 18 HE1 TYR 18 -7.328 -4.476 -2.411 141 HH TYR 18 HH TYR 18 -9.440 -3.496 -3.427 142 H LEU 19 HN LEU 19 -0.552 -4.439 -4.644 143 HA LEU 19 HA LEU 19 0.846 -2.348 -5.941 144 HB2 LEU 19 HB2 LEU 19 1.850 -4.792 -4.492 145 HB3 LEU 19 HB1 LEU 19 2.905 -3.541 -5.112 146 HG LEU 19 HG LEU 19 0.787 -3.108 -2.979 147 HD11 LEU 19 HD11 LEU 19 2.581 -4.499 -2.163 148 HD12 LEU 19 HD12 LEU 19 2.651 -2.888 -1.455 149 HD13 LEU 19 HD13 LEU 19 3.774 -3.332 -2.743 150 HD21 LEU 19 HD21 LEU 19 2.948 -1.261 -4.026 151 HD22 LEU 19 HD22 LEU 19 1.856 -0.919 -2.693 152 HD23 LEU 19 HD23 LEU 19 1.221 -1.082 -4.312 153 H GLU 20 HN GLU 20 -0.084 -5.465 -6.958 154 HA GLU 20 HA GLU 20 1.795 -6.028 -8.974 155 HB2 GLU 20 HB3 GLU 20 -1.154 -6.608 -8.868 156 HB3 GLU 20 HB2 GLU 20 -0.092 -7.198 -10.128 157 HG2 GLU 20 HG3 GLU 20 1.193 -8.413 -8.400 158 HG3 GLU 20 HG2 GLU 20 0.013 -7.874 -7.204 159 H GLU 21 HN GLU 21 -0.779 -3.719 -8.847 160 HA GLU 21 HA GLU 21 -0.821 -3.423 -11.728 161 HB2 GLU 21 HB3 GLU 21 -2.415 -1.985 -9.613 162 HB3 GLU 21 HB2 GLU 21 -2.685 -1.889 -11.347 163 HG2 GLU 21 HG3 GLU 21 -3.022 -4.313 -9.592 164 HG3 GLU 21 HG2 GLU 21 -4.298 -3.382 -10.368 165 H LEU 22 HN LEU 22 1.321 -2.429 -9.632 166 HA LEU 22 HA LEU 22 1.476 0.309 -10.628 167 HB2 LEU 22 HB2 LEU 22 3.109 -1.038 -8.463 168 HB3 LEU 22 HB1 LEU 22 3.284 0.615 -8.976 169 HG LEU 22 HG LEU 22 0.929 -0.593 -7.554 170 HD11 LEU 22 HD11 LEU 22 2.820 -0.165 -6.134 171 HD12 LEU 22 HD12 LEU 22 1.552 1.032 -5.833 172 HD13 LEU 22 HD13 LEU 22 2.969 1.471 -6.778 173 HD21 LEU 22 HD21 LEU 22 0.130 1.051 -9.184 174 HD22 LEU 22 HD22 LEU 22 1.287 2.233 -8.563 175 HD23 LEU 22 HD23 LEU 22 -0.019 1.647 -7.534 176 H GLU 23 HN GLU 23 3.054 1.022 -11.897 177 HA GLU 23 HA GLU 23 4.619 -0.823 -13.467 178 HB2 GLU 23 HB3 GLU 23 5.057 2.152 -13.291 179 HB3 GLU 23 HB2 GLU 23 5.354 1.099 -14.658 180 HG2 GLU 23 HG3 GLU 23 2.863 0.856 -14.891 181 HG3 GLU 23 HG2 GLU 23 2.746 2.055 -13.584 182 H ALA 24 HN ALA 24 7.080 -0.255 -13.687 183 HA ALA 24 HA ALA 24 8.335 -0.568 -11.192 184 HB1 ALA 24 HB1 ALA 24 9.355 -1.346 -13.297 185 HB2 ALA 24 HB2 ALA 24 10.446 -0.288 -12.407 186 HB3 ALA 24 HB3 ALA 24 9.571 0.329 -13.808 187 H VAL 25 HN VAL 25 7.782 2.220 -13.241 188 HA VAL 25 HA VAL 25 9.145 4.098 -11.665 189 HB VAL 25 HB VAL 25 8.514 4.709 -13.941 190 HG11 VAL 25 HG11 VAL 25 6.200 5.155 -14.590 191 HG12 VAL 25 HG12 VAL 25 5.669 4.570 -13.010 192 HG13 VAL 25 HG13 VAL 25 6.441 3.460 -14.147 193 HG21 VAL 25 HG21 VAL 25 8.723 6.579 -12.403 194 HG22 VAL 25 HG22 VAL 25 7.014 6.375 -11.970 195 HG23 VAL 25 HG23 VAL 25 7.444 6.886 -13.598 196 H GLU 26 HN GLU 26 5.821 2.945 -11.511 197 HA GLU 26 HA GLU 26 4.921 4.729 -9.505 198 HB2 GLU 26 HB3 GLU 26 3.974 1.964 -10.245 199 HB3 GLU 26 HB2 GLU 26 3.120 3.049 -9.148 200 HG2 GLU 26 HG3 GLU 26 3.705 3.602 -12.049 201 HG3 GLU 26 HG2 GLU 26 2.184 2.959 -11.433 202 H LEU 27 HN LEU 27 6.234 1.445 -9.433 203 HA LEU 27 HA LEU 27 6.180 1.078 -6.658 204 HB2 LEU 27 HB2 LEU 27 8.001 -0.096 -8.758 205 HB3 LEU 27 HB1 LEU 27 7.974 -0.635 -7.092 206 HG LEU 27 HG LEU 27 5.590 -0.787 -8.951 207 HD11 LEU 27 HD11 LEU 27 7.572 -2.928 -8.184 208 HD12 LEU 27 HD12 LEU 27 7.361 -2.210 -9.784 209 HD13 LEU 27 HD13 LEU 27 6.072 -3.178 -9.077 210 HD21 LEU 27 HD21 LEU 27 6.138 -2.030 -6.255 211 HD22 LEU 27 HD22 LEU 27 4.721 -2.332 -7.257 212 HD23 LEU 27 HD23 LEU 27 4.996 -0.725 -6.586 213 H LYS 28 HN LYS 28 8.625 2.436 -8.774 214 HA LYS 28 HA LYS 28 10.638 2.876 -6.908 215 HB2 LYS 28 HB2 LYS 28 11.011 3.141 -9.294 216 HB3 LYS 28 HB1 LYS 28 9.874 4.473 -9.353 217 HG2 LYS 28 HG2 LYS 28 11.386 5.803 -7.937 218 HG3 LYS 28 HG1 LYS 28 12.538 4.465 -7.951 219 HD2 LYS 28 HD2 LYS 28 12.785 4.636 -10.341 220 HD3 LYS 28 HD1 LYS 28 11.513 5.852 -10.423 221 HE2 LYS 28 HE2 LYS 28 13.671 6.929 -10.584 222 HE3 LYS 28 HE1 LYS 28 12.902 7.358 -9.064 223 HZ1 LYS 28 HZ1 LYS 28 14.342 5.695 -7.951 224 HZ2 LYS 28 HZ2 LYS 28 15.194 6.896 -8.713 225 HZ3 LYS 28 HZ3 LYS 28 15.093 5.379 -9.437 226 H LYS 29 HN LYS 29 7.901 4.931 -7.825 227 HA LYS 29 HA LYS 29 8.479 7.202 -6.222 228 HB2 LYS 29 HB2 LYS 29 5.780 6.073 -6.942 229 HB3 LYS 29 HB1 LYS 29 6.081 7.685 -6.343 230 HG2 LYS 29 HG2 LYS 29 7.267 8.234 -8.440 231 HG3 LYS 29 HG1 LYS 29 6.968 6.585 -8.997 232 HD2 LYS 29 HD2 LYS 29 4.574 6.905 -8.830 233 HD3 LYS 29 HD1 LYS 29 4.829 8.523 -8.186 234 HE2 LYS 29 HE2 LYS 29 5.749 9.262 -10.267 235 HE3 LYS 29 HE1 LYS 29 5.693 7.623 -10.916 236 HZ1 LYS 29 HZ1 LYS 29 3.805 9.058 -11.612 237 HZ2 LYS 29 HZ2 LYS 29 3.245 9.053 -10.011 238 HZ3 LYS 29 HZ3 LYS 29 3.393 7.611 -10.873 239 H PHE 30 HN PHE 30 6.293 4.518 -5.754 240 HA PHE 30 HA PHE 30 5.369 4.895 -3.205 241 HB2 PHE 30 HB2 PHE 30 4.280 3.299 -4.464 242 HB3 PHE 30 HB1 PHE 30 5.765 2.607 -5.065 243 HD1 PHE 30 HD2 PHE 30 3.610 2.806 -2.023 244 HD2 PHE 30 HD1 PHE 30 6.521 0.623 -4.217 245 HE1 PHE 30 HE2 PHE 30 3.333 0.893 -0.504 246 HE2 PHE 30 HE1 PHE 30 6.245 -1.284 -2.702 247 HZ PHE 30 HZ PHE 30 4.640 -1.146 -0.845 248 H LYS 31 HN LYS 31 8.192 3.073 -4.229 249 HA LYS 31 HA LYS 31 9.008 2.315 -1.664 250 HB2 LYS 31 HB2 LYS 31 9.697 0.998 -3.503 251 HB3 LYS 31 HB1 LYS 31 10.362 2.370 -4.354 252 HG2 LYS 31 HG2 LYS 31 11.564 1.400 -1.781 253 HG3 LYS 31 HG1 LYS 31 11.942 0.613 -3.309 254 HD2 LYS 31 HD2 LYS 31 12.368 3.560 -2.729 255 HD3 LYS 31 HD1 LYS 31 13.621 2.328 -2.622 256 HE2 LYS 31 HE2 LYS 31 12.092 3.066 -5.135 257 HE3 LYS 31 HE1 LYS 31 13.720 3.591 -4.732 258 HZ1 LYS 31 HZ1 LYS 31 14.400 1.235 -4.738 259 HZ2 LYS 31 HZ2 LYS 31 13.845 1.748 -6.215 260 HZ3 LYS 31 HZ3 LYS 31 12.860 0.788 -5.266 261 H LEU 32 HN LEU 32 9.990 5.123 -3.649 262 HA LEU 32 HA LEU 32 12.013 5.789 -1.761 263 HB2 LEU 32 HB2 LEU 32 12.362 7.851 -3.024 264 HB3 LEU 32 HB1 LEU 32 12.280 6.476 -4.088 265 HG LEU 32 HG LEU 32 9.794 7.255 -4.432 266 HD11 LEU 32 HD11 LEU 32 9.485 9.667 -4.319 267 HD12 LEU 32 HD12 LEU 32 11.056 9.831 -3.536 268 HD13 LEU 32 HD13 LEU 32 9.755 8.962 -2.723 269 HD21 LEU 32 HD21 LEU 32 12.132 8.731 -5.630 270 HD22 LEU 32 HD22 LEU 32 10.505 8.658 -6.308 271 HD23 LEU 32 HD23 LEU 32 11.473 7.191 -6.183 272 H TYR 33 HN TYR 33 8.694 6.558 -2.120 273 HA TYR 33 HA TYR 33 8.668 8.782 -0.396 274 HB2 TYR 33 HB2 TYR 33 6.985 8.460 -2.126 275 HB3 TYR 33 HB1 TYR 33 6.421 6.997 -1.336 276 HD1 TYR 33 HD1 TYR 33 6.625 10.666 -1.050 277 HD2 TYR 33 HD2 TYR 33 4.908 7.104 0.511 278 HE1 TYR 33 HE1 TYR 33 5.050 11.993 0.268 279 HE2 TYR 33 HE2 TYR 33 3.342 8.422 1.813 280 HH TYR 33 HH TYR 33 3.061 10.555 2.694 281 H LEU 34 HN LEU 34 8.525 5.347 0.190 282 HA LEU 34 HA LEU 34 7.995 6.014 2.997 283 HB2 LEU 34 HB2 LEU 34 6.923 3.795 3.290 284 HB3 LEU 34 HB1 LEU 34 6.066 4.931 2.275 285 HG LEU 34 HG LEU 34 6.928 3.663 0.283 286 HD11 LEU 34 HD11 LEU 34 8.772 2.454 1.252 287 HD12 LEU 34 HD12 LEU 34 7.572 1.313 0.632 288 HD13 LEU 34 HD13 LEU 34 7.685 1.626 2.362 289 HD21 LEU 34 HD21 LEU 34 5.135 2.247 2.233 290 HD22 LEU 34 HD22 LEU 34 5.242 1.920 0.501 291 HD23 LEU 34 HD23 LEU 34 4.661 3.484 1.068 292 H GLY 35 HN GLY 35 10.143 4.294 0.938 293 HA2 GLY 35 HA3 GLY 35 11.068 2.687 3.101 294 HA3 GLY 35 HA2 GLY 35 11.745 2.691 1.473 295 H THR 36 HN THR 36 12.471 5.310 1.206 296 HA THR 36 HA THR 36 14.548 5.576 3.261 297 HB THR 36 HB THR 36 15.431 5.114 0.986 298 HG1 THR 36 HG1 THR 36 16.746 6.426 2.209 299 HG21 THR 36 HG21 THR 36 14.027 7.660 0.152 300 HG22 THR 36 HG22 THR 36 13.631 6.021 -0.371 301 HG23 THR 36 HG23 THR 36 15.164 6.754 -0.847 302 H ALA 37 HN ALA 37 11.774 6.446 3.234 303 HA ALA 37 HA ALA 37 11.450 9.165 2.662 304 HB1 ALA 37 HB1 ALA 37 9.937 7.528 4.687 305 HB2 ALA 37 HB2 ALA 37 9.616 7.558 2.957 306 HB3 ALA 37 HB3 ALA 37 9.398 9.011 3.896 307 H THR 38 HN THR 38 11.895 10.918 3.730 308 HA THR 38 HA THR 38 13.618 10.935 5.959 309 HB THR 38 HB THR 38 11.955 13.224 4.907 310 HG1 THR 38 HG1 THR 38 14.514 12.455 3.920 311 HG21 THR 38 HG21 THR 38 14.734 13.100 6.092 312 HG22 THR 38 HG22 THR 38 13.280 13.615 6.943 313 HG23 THR 38 HG23 THR 38 13.886 14.564 5.584 314 H GLU 39 HN GLU 39 10.280 11.362 5.395 315 HA GLU 39 HA GLU 39 9.450 12.413 7.895 316 HB2 GLU 39 HB3 GLU 39 7.176 11.855 7.174 317 HB3 GLU 39 HB2 GLU 39 8.085 12.642 5.894 318 HG2 GLU 39 HG3 GLU 39 8.549 10.401 4.934 319 HG3 GLU 39 HG2 GLU 39 7.482 9.705 6.135 320 H LEU 40 HN LEU 40 10.094 9.215 6.813 321 HA LEU 40 HA LEU 40 8.578 7.913 8.892 322 HB2 LEU 40 HB2 LEU 40 9.001 7.023 6.581 323 HB3 LEU 40 HB1 LEU 40 10.652 6.727 7.073 324 HG LEU 40 HG LEU 40 9.708 5.355 8.956 325 HD11 LEU 40 HD11 LEU 40 7.422 6.134 8.864 326 HD12 LEU 40 HD12 LEU 40 7.508 4.388 8.665 327 HD13 LEU 40 HD13 LEU 40 7.234 5.424 7.258 328 HD21 LEU 40 HD21 LEU 40 9.333 4.386 6.128 329 HD22 LEU 40 HD22 LEU 40 9.444 3.348 7.550 330 HD23 LEU 40 HD23 LEU 40 10.825 4.330 7.066 331 H GLY 41 HN GLY 41 11.588 9.315 8.543 332 HA2 GLY 41 HA3 GLY 41 13.167 9.650 10.244 333 HA3 GLY 41 HA2 GLY 41 12.432 8.331 11.146 334 H GLU 42 HN GLU 42 14.660 9.192 8.609 335 HA GLU 42 HA GLU 42 16.400 8.311 7.724 336 HB2 GLU 42 HB3 GLU 42 17.027 7.657 10.002 337 HB3 GLU 42 HB2 GLU 42 16.156 6.140 9.808 338 HG2 GLU 42 HG3 GLU 42 18.488 5.758 9.507 339 HG3 GLU 42 HG2 GLU 42 17.596 5.596 7.974 340 H GLY 43 HN GLY 43 14.488 5.468 8.550 341 HA2 GLY 43 HA3 GLY 43 13.177 4.762 6.433 342 HA3 GLY 43 HA2 GLY 43 14.805 4.594 5.779 343 H LYS 44 HN LYS 44 12.345 3.019 7.235 344 HA LYS 44 HA LYS 44 13.945 1.178 8.770 345 HB2 LYS 44 HB2 LYS 44 10.991 1.398 8.260 346 HB3 LYS 44 HB1 LYS 44 11.654 -0.079 8.929 347 HG2 LYS 44 HG2 LYS 44 10.799 1.330 10.701 348 HG3 LYS 44 HG1 LYS 44 12.544 1.188 10.839 349 HD2 LYS 44 HD2 LYS 44 12.734 3.422 9.723 350 HD3 LYS 44 HD1 LYS 44 10.978 3.544 9.771 351 HE2 LYS 44 HE2 LYS 44 11.018 3.362 12.214 352 HE3 LYS 44 HE1 LYS 44 12.767 3.203 12.176 353 HZ1 LYS 44 HZ1 LYS 44 11.254 5.612 11.276 354 HZ2 LYS 44 HZ2 LYS 44 12.931 5.453 11.296 355 HZ3 LYS 44 HZ3 LYS 44 12.071 5.451 12.735 356 H ILE 45 HN ILE 45 13.430 1.545 5.627 357 HA ILE 45 HA ILE 45 13.313 -1.277 4.934 358 HB ILE 45 HB ILE 45 13.201 1.252 3.274 359 HG12 ILE 45 HG12 ILE 45 11.156 0.796 4.558 360 HG13 ILE 45 HG11 ILE 45 10.875 0.609 2.831 361 HG21 ILE 45 HG21 ILE 45 12.711 -0.158 1.333 362 HG22 ILE 45 HG22 ILE 45 13.001 -1.591 2.321 363 HG23 ILE 45 HG23 ILE 45 14.321 -0.475 1.990 364 HD11 ILE 45 HD11 ILE 45 11.140 -1.781 3.085 365 HD12 ILE 45 HD12 ILE 45 9.760 -1.143 3.986 366 HD13 ILE 45 HD13 ILE 45 11.251 -1.594 4.838 367 HA PRO 46 HA PRO 46 17.799 -1.391 4.486 368 HB2 PRO 46 HB2 PRO 46 17.766 -3.433 2.563 369 HB3 PRO 46 HB1 PRO 46 17.870 -3.669 4.305 370 HG2 PRO 46 HG2 PRO 46 15.515 -3.874 2.507 371 HG3 PRO 46 HG1 PRO 46 15.894 -4.784 3.978 372 HD2 PRO 46 HD2 PRO 46 14.052 -2.841 3.896 373 HD3 PRO 46 HD1 PRO 46 15.022 -3.152 5.350 374 H TRP 47 HN TRP 47 19.125 -0.377 3.202 375 HA TRP 47 HA TRP 47 18.544 1.637 1.623 376 HB2 TRP 47 HB2 TRP 47 20.828 1.751 0.894 377 HB3 TRP 47 HB1 TRP 47 20.777 1.154 2.541 378 HD1 TRP 47 HD1 TRP 47 22.182 0.416 -0.803 379 HE1 TRP 47 HE1 TRP 47 23.382 -1.835 -0.846 380 HE3 TRP 47 HE3 TRP 47 20.519 -1.470 3.664 381 HZ2 TRP 47 HZ2 TRP 47 23.605 -4.134 0.797 382 HZ3 TRP 47 HZ3 TRP 47 21.278 -3.703 4.344 383 HH2 TRP 47 HH2 TRP 47 22.788 -5.007 2.940 384 H GLY 48 HN GLY 48 19.006 -1.575 0.203 385 HA2 GLY 48 HA3 GLY 48 17.655 -0.623 -2.173 386 HA3 GLY 48 HA2 GLY 48 19.330 -1.082 -2.413 387 H SER 49 HN SER 49 16.938 -2.603 -0.311 388 HA SER 49 HA SER 49 17.487 -5.156 -1.587 389 HB2 SER 49 HB2 SER 49 17.044 -5.026 0.879 390 HB3 SER 49 HB1 SER 49 15.424 -4.445 0.516 391 HG SER 49 HG SER 49 15.968 -6.854 0.903 392 H MET 50 HN MET 50 15.122 -2.690 -1.574 393 HA MET 50 HA MET 50 13.136 -4.244 -2.911 394 HB2 MET 50 HB2 MET 50 11.969 -1.854 -2.847 395 HB3 MET 50 HB1 MET 50 11.980 -2.954 -1.483 396 HG2 MET 50 HG2 MET 50 12.466 -0.600 -0.895 397 HG3 MET 50 HG1 MET 50 13.702 -1.728 -0.401 398 HE1 MET 50 HE1 MET 50 15.766 1.517 -1.222 399 HE2 MET 50 HE2 MET 50 15.417 0.288 -0.011 400 HE3 MET 50 HE3 MET 50 14.161 1.429 -0.495 401 H GLU 51 HN GLU 51 15.744 -3.208 -4.188 402 HA GLU 51 HA GLU 51 14.818 -1.698 -6.440 403 HB2 GLU 51 HB3 GLU 51 17.284 -3.349 -6.026 404 HB3 GLU 51 HB2 GLU 51 16.987 -2.366 -7.452 405 HG2 GLU 51 HG3 GLU 51 16.844 -0.391 -5.880 406 HG3 GLU 51 HG2 GLU 51 17.446 -1.470 -4.619 407 H LYS 52 HN LYS 52 15.605 -5.036 -5.789 408 HA LYS 52 HA LYS 52 14.853 -6.027 -8.390 409 HB2 LYS 52 HB2 LYS 52 15.212 -8.245 -7.374 410 HB3 LYS 52 HB1 LYS 52 16.567 -7.164 -7.080 411 HG2 LYS 52 HG2 LYS 52 15.869 -6.791 -4.806 412 HG3 LYS 52 HG1 LYS 52 14.372 -7.678 -5.075 413 HD2 LYS 52 HD2 LYS 52 15.661 -9.734 -5.413 414 HD3 LYS 52 HD1 LYS 52 17.159 -8.838 -5.175 415 HE2 LYS 52 HE2 LYS 52 16.441 -10.076 -3.161 416 HE3 LYS 52 HE1 LYS 52 16.552 -8.340 -2.891 417 HZ1 LYS 52 HZ1 LYS 52 14.558 -9.400 -1.921 418 HZ2 LYS 52 HZ2 LYS 52 13.956 -9.755 -3.449 419 HZ3 LYS 52 HZ3 LYS 52 14.187 -8.165 -2.963 420 H ALA 53 HN ALA 53 13.283 -5.174 -5.571 421 HA ALA 53 HA ALA 53 11.358 -7.214 -5.346 422 HB1 ALA 53 HB1 ALA 53 11.321 -4.441 -4.213 423 HB2 ALA 53 HB2 ALA 53 12.026 -5.876 -3.460 424 HB3 ALA 53 HB3 ALA 53 10.281 -5.777 -3.713 425 H GLY 54 HN GLY 54 9.469 -7.475 -6.170 426 HA2 GLY 54 HA3 GLY 54 8.302 -5.331 -7.782 427 HA3 GLY 54 HA2 GLY 54 8.101 -7.053 -8.127 428 HA PRO 55 HA PRO 55 4.367 -5.529 -5.762 429 HB2 PRO 55 HB2 PRO 55 2.876 -7.724 -6.625 430 HB3 PRO 55 HB1 PRO 55 2.854 -6.100 -7.313 431 HG2 PRO 55 HG2 PRO 55 4.319 -8.530 -8.232 432 HG3 PRO 55 HG1 PRO 55 3.600 -7.228 -9.191 433 HD2 PRO 55 HD2 PRO 55 6.233 -7.409 -8.816 434 HD3 PRO 55 HD1 PRO 55 5.421 -5.836 -8.879 435 H LEU 56 HN LEU 56 5.480 -8.852 -6.057 436 HA LEU 56 HA LEU 56 4.190 -9.663 -3.621 437 HB2 LEU 56 HB2 LEU 56 6.259 -11.119 -5.287 438 HB3 LEU 56 HB1 LEU 56 5.564 -11.770 -3.828 439 HG LEU 56 HG LEU 56 3.310 -11.678 -4.952 440 HD11 LEU 56 HD11 LEU 56 3.766 -10.046 -6.678 441 HD12 LEU 56 HD12 LEU 56 3.230 -11.569 -7.391 442 HD13 LEU 56 HD13 LEU 56 4.939 -11.130 -7.425 443 HD21 LEU 56 HD21 LEU 56 3.708 -13.692 -6.290 444 HD22 LEU 56 HD22 LEU 56 4.553 -13.739 -4.740 445 HD23 LEU 56 HD23 LEU 56 5.444 -13.382 -6.219 446 H GLU 57 HN GLU 57 7.549 -9.053 -4.489 447 HA GLU 57 HA GLU 57 8.503 -9.518 -1.867 448 HB2 GLU 57 HB3 GLU 57 9.749 -7.964 -4.114 449 HB3 GLU 57 HB2 GLU 57 10.581 -8.375 -2.626 450 HG2 GLU 57 HG3 GLU 57 10.201 -10.767 -3.155 451 HG3 GLU 57 HG2 GLU 57 9.536 -10.268 -4.710 452 H MET 58 HN MET 58 7.375 -6.616 -3.490 453 HA MET 58 HA MET 58 8.091 -4.780 -1.474 454 HB2 MET 58 HB2 MET 58 5.924 -4.758 -3.549 455 HB3 MET 58 HB1 MET 58 6.094 -3.437 -2.407 456 HG2 MET 58 HG2 MET 58 8.305 -4.388 -4.170 457 HG3 MET 58 HG1 MET 58 7.193 -3.121 -4.694 458 HE1 MET 58 HE1 MET 58 10.165 -2.580 -4.886 459 HE2 MET 58 HE2 MET 58 10.349 -1.029 -4.064 460 HE3 MET 58 HE3 MET 58 8.951 -1.319 -5.102 461 H ALA 59 HN ALA 59 5.151 -6.675 -1.996 462 HA ALA 59 HA ALA 59 3.746 -5.686 0.189 463 HB1 ALA 59 HB1 ALA 59 2.760 -7.095 -1.573 464 HB2 ALA 59 HB2 ALA 59 2.388 -7.696 0.035 465 HB3 ALA 59 HB3 ALA 59 3.634 -8.487 -0.938 466 H GLN 60 HN GLN 60 6.087 -8.277 -0.035 467 HA GLN 60 HA GLN 60 5.865 -9.143 2.656 468 HB2 GLN 60 HB2 GLN 60 8.174 -9.430 0.746 469 HB3 GLN 60 HB1 GLN 60 7.958 -10.318 2.249 470 HG2 GLN 60 HG2 GLN 60 5.921 -11.328 1.358 471 HG3 GLN 60 HG1 GLN 60 6.138 -10.414 -0.120 472 HE21 GLN 60 HE21 GLN 60 8.824 -11.820 1.603 473 HE22 GLN 60 HE22 GLN 60 9.204 -13.011 0.432 474 H LEU 61 HN LEU 61 7.805 -6.795 0.991 475 HA LEU 61 HA LEU 61 9.762 -6.146 2.857 476 HB2 LEU 61 HB2 LEU 61 9.510 -5.369 0.467 477 HB3 LEU 61 HB1 LEU 61 8.273 -4.273 1.034 478 HG LEU 61 HG LEU 61 10.058 -3.313 2.546 479 HD11 LEU 61 HD11 LEU 61 11.710 -5.089 2.302 480 HD12 LEU 61 HD12 LEU 61 12.368 -3.555 1.711 481 HD13 LEU 61 HD13 LEU 61 11.794 -4.765 0.568 482 HD21 LEU 61 HD21 LEU 61 9.135 -2.122 0.670 483 HD22 LEU 61 HD22 LEU 61 10.173 -2.999 -0.445 484 HD23 LEU 61 HD23 LEU 61 10.881 -1.862 0.704 485 H LEU 62 HN LEU 62 6.651 -4.512 2.239 486 HA LEU 62 HA LEU 62 6.795 -2.836 4.464 487 HB2 LEU 62 HB2 LEU 62 4.404 -3.674 2.816 488 HB3 LEU 62 HB1 LEU 62 4.299 -2.544 4.133 489 HG LEU 62 HG LEU 62 4.287 -1.323 2.045 490 HD11 LEU 62 HD11 LEU 62 5.371 -0.277 3.883 491 HD12 LEU 62 HD12 LEU 62 6.061 0.174 2.323 492 HD13 LEU 62 HD13 LEU 62 6.909 -0.975 3.364 493 HD21 LEU 62 HD21 LEU 62 5.371 -2.936 0.652 494 HD22 LEU 62 HD22 LEU 62 6.883 -2.660 1.500 495 HD23 LEU 62 HD23 LEU 62 6.178 -1.357 0.518 496 H ILE 63 HN ILE 63 5.255 -5.991 4.019 497 HA ILE 63 HA ILE 63 3.876 -5.971 6.488 498 HB ILE 63 HB ILE 63 3.711 -7.543 4.300 499 HG12 ILE 63 HG12 ILE 63 2.026 -7.316 6.065 500 HG13 ILE 63 HG11 ILE 63 2.128 -8.955 5.452 501 HG21 ILE 63 HG21 ILE 63 5.766 -8.768 4.674 502 HG22 ILE 63 HG22 ILE 63 4.379 -9.855 4.762 503 HG23 ILE 63 HG23 ILE 63 5.172 -9.320 6.241 504 HD11 ILE 63 HD11 ILE 63 3.416 -9.581 7.456 505 HD12 ILE 63 HD12 ILE 63 1.812 -8.963 7.848 506 HD13 ILE 63 HD13 ILE 63 3.236 -7.935 8.062 507 H THR 64 HN THR 64 7.158 -6.839 5.704 508 HA THR 64 HA THR 64 7.603 -8.206 8.170 509 HB THR 64 HB THR 64 9.622 -7.151 6.174 510 HG1 THR 64 HG1 THR 64 8.409 -8.641 5.143 511 HG21 THR 64 HG21 THR 64 11.124 -8.821 7.175 512 HG22 THR 64 HG22 THR 64 9.873 -9.248 8.340 513 HG23 THR 64 HG23 THR 64 10.605 -7.646 8.385 514 H HIS 65 HN HIS 65 8.226 -4.954 6.976 515 HA HIS 65 HA HIS 65 9.647 -4.340 9.427 516 HB2 HIS 65 HB2 HIS 65 9.195 -2.630 6.974 517 HB3 HIS 65 HB1 HIS 65 10.130 -2.133 8.380 518 HD1 HIS 65 HD1 HIS 65 12.414 -3.456 8.792 519 HD2 HIS 65 HD2 HIS 65 10.506 -4.280 5.200 520 HE1 HIS 65 HE1 HIS 65 14.090 -4.684 7.374 521 H PHE 66 HN PHE 66 6.696 -3.234 7.825 522 HA PHE 66 HA PHE 66 6.045 -1.567 10.086 523 HB2 PHE 66 HB2 PHE 66 4.519 -2.171 7.553 524 HB3 PHE 66 HB1 PHE 66 4.091 -0.931 8.736 525 HD1 PHE 66 HD1 PHE 66 6.395 -1.939 6.160 526 HD2 PHE 66 HD2 PHE 66 5.396 1.084 8.938 527 HE1 PHE 66 HE1 PHE 66 7.953 -0.446 5.043 528 HE2 PHE 66 HE2 PHE 66 6.973 2.620 7.818 529 HZ PHE 66 HZ PHE 66 8.272 1.808 5.869 530 H GLY 67 HN GLY 67 4.212 -4.139 8.453 531 HA2 GLY 67 HA3 GLY 67 3.605 -5.923 10.280 532 HA3 GLY 67 HA2 GLY 67 2.687 -4.546 10.901 533 HA PRO 68 HA PRO 68 0.453 -6.928 7.450 534 HB2 PRO 68 HB2 PRO 68 -1.812 -7.465 8.950 535 HB3 PRO 68 HB1 PRO 68 -0.490 -8.598 8.668 536 HG2 PRO 68 HG2 PRO 68 -1.060 -6.905 11.051 537 HG3 PRO 68 HG1 PRO 68 -0.357 -8.526 10.950 538 HD2 PRO 68 HD2 PRO 68 1.119 -6.295 11.421 539 HD3 PRO 68 HD1 PRO 68 1.781 -7.704 10.593 540 H GLU 69 HN GLU 69 -1.185 -4.951 9.929 541 HA GLU 69 HA GLU 69 -3.012 -3.902 7.965 542 HB2 GLU 69 HB3 GLU 69 -2.543 -3.023 10.823 543 HB3 GLU 69 HB2 GLU 69 -3.898 -2.564 9.808 544 HG2 GLU 69 HG3 GLU 69 -4.601 -4.938 9.731 545 HG3 GLU 69 HG2 GLU 69 -3.286 -5.326 10.838 546 H GLU 70 HN GLU 70 -0.119 -2.961 9.598 547 HA GLU 70 HA GLU 70 -0.161 -0.221 8.937 548 HB2 GLU 70 HB3 GLU 70 1.236 -1.503 10.707 549 HB3 GLU 70 HB2 GLU 70 2.366 -1.768 9.392 550 HG2 GLU 70 HG3 GLU 70 3.046 0.157 10.673 551 HG3 GLU 70 HG2 GLU 70 2.509 0.688 9.076 552 H ALA 71 HN ALA 71 1.402 -3.033 7.408 553 HA ALA 71 HA ALA 71 2.738 -1.824 5.277 554 HB1 ALA 71 HB1 ALA 71 2.959 -4.174 5.877 555 HB2 ALA 71 HB2 ALA 71 2.557 -3.984 4.169 556 HB3 ALA 71 HB3 ALA 71 1.317 -4.475 5.323 557 H TRP 72 HN TRP 72 -0.537 -3.151 5.364 558 HA TRP 72 HA TRP 72 -1.209 -2.462 2.745 559 HB2 TRP 72 HB2 TRP 72 -2.510 -4.118 3.889 560 HB3 TRP 72 HB1 TRP 72 -2.913 -2.999 5.180 561 HD1 TRP 72 HD1 TRP 72 -5.427 -2.664 5.015 562 HE1 TRP 72 HE1 TRP 72 -7.082 -2.015 3.180 563 HE3 TRP 72 HE3 TRP 72 -2.258 -2.696 1.031 564 HZ2 TRP 72 HZ2 TRP 72 -7.053 -1.560 0.405 565 HZ3 TRP 72 HZ3 TRP 72 -3.167 -2.154 -1.220 566 HH2 TRP 72 HH2 TRP 72 -5.511 -1.597 -1.507 567 H ARG 73 HN ARG 73 -1.639 -0.742 5.750 568 HA ARG 73 HA ARG 73 -3.026 1.427 4.726 569 HB2 ARG 73 HB2 ARG 73 -2.894 0.959 7.095 570 HB3 ARG 73 HB1 ARG 73 -1.163 1.214 7.085 571 HG2 ARG 73 HG2 ARG 73 -1.528 3.586 6.587 572 HG3 ARG 73 HG1 ARG 73 -3.275 3.310 6.640 573 HD2 ARG 73 HD2 ARG 73 -1.354 2.796 8.905 574 HD3 ARG 73 HD1 ARG 73 -2.427 4.189 8.774 575 HE ARG 73 HE ARG 73 -4.290 2.575 8.832 576 HH11 ARG 73 HH11 ARG 73 -1.169 1.519 10.211 577 HH12 ARG 73 HH12 ARG 73 -1.906 0.475 11.334 578 HH21 ARG 73 HH21 ARG 73 -5.236 1.149 10.350 579 HH22 ARG 73 HH22 ARG 73 -4.278 0.268 11.449 580 H LEU 74 HN LEU 74 0.442 0.900 5.235 581 HA LEU 74 HA LEU 74 1.464 3.327 4.340 582 HB2 LEU 74 HB2 LEU 74 2.499 0.613 4.737 583 HB3 LEU 74 HB1 LEU 74 3.340 1.503 3.493 584 HG LEU 74 HG LEU 74 4.419 1.591 5.738 585 HD11 LEU 74 HD11 LEU 74 3.528 4.234 4.590 586 HD12 LEU 74 HD12 LEU 74 4.951 3.299 4.126 587 HD13 LEU 74 HD13 LEU 74 4.857 4.014 5.723 588 HD21 LEU 74 HD21 LEU 74 3.472 3.039 7.468 589 HD22 LEU 74 HD22 LEU 74 2.403 1.676 7.125 590 HD23 LEU 74 HD23 LEU 74 2.027 3.276 6.488 591 H ALA 75 HN ALA 75 0.527 0.471 2.494 592 HA ALA 75 HA ALA 75 1.568 1.477 0.034 593 HB1 ALA 75 HB1 ALA 75 0.306 -0.279 -1.039 594 HB2 ALA 75 HB2 ALA 75 -0.519 -0.632 0.483 595 HB3 ALA 75 HB3 ALA 75 1.228 -0.895 0.328 596 H LEU 76 HN LEU 76 -1.774 1.210 1.245 597 HA LEU 76 HA LEU 76 -2.776 2.500 -1.034 598 HB2 LEU 76 HB2 LEU 76 -4.938 2.566 0.030 599 HB3 LEU 76 HB1 LEU 76 -4.185 1.031 0.362 600 HG LEU 76 HG LEU 76 -3.562 2.138 2.640 601 HD11 LEU 76 HD11 LEU 76 -5.927 3.780 1.782 602 HD12 LEU 76 HD12 LEU 76 -4.301 4.392 2.095 603 HD13 LEU 76 HD13 LEU 76 -5.274 3.736 3.423 604 HD21 LEU 76 HD21 LEU 76 -4.998 0.243 2.420 605 HD22 LEU 76 HD22 LEU 76 -6.356 1.277 1.966 606 HD23 LEU 76 HD23 LEU 76 -5.672 1.371 3.595 607 H SER 77 HN SER 77 -1.722 3.791 2.058 608 HA SER 77 HA SER 77 -2.758 6.368 1.419 609 HB2 SER 77 HB2 SER 77 -2.428 5.329 3.760 610 HB3 SER 77 HB1 SER 77 -0.751 5.830 3.590 611 HG SER 77 HG SER 77 -2.743 7.688 3.012 612 H THR 78 HN THR 78 -0.061 4.700 0.380 613 HA THR 78 HA THR 78 1.358 7.166 -0.179 614 HB THR 78 HB THR 78 2.113 4.266 -0.676 615 HG1 THR 78 HG1 THR 78 2.499 4.587 1.350 616 HG21 THR 78 HG21 THR 78 3.103 5.643 -2.430 617 HG22 THR 78 HG22 THR 78 4.364 5.156 -1.289 618 HG23 THR 78 HG23 THR 78 3.688 6.788 -1.230 619 H PHE 79 HN PHE 79 -0.748 4.817 -1.615 620 HA PHE 79 HA PHE 79 -0.310 5.293 -4.301 621 HB2 PHE 79 HB2 PHE 79 -2.909 4.638 -2.882 622 HB3 PHE 79 HB1 PHE 79 -2.766 4.663 -4.640 623 HD1 PHE 79 HD1 PHE 79 0.201 3.330 -4.159 624 HD2 PHE 79 HD2 PHE 79 -3.831 2.423 -3.146 625 HE1 PHE 79 HE1 PHE 79 0.756 0.949 -4.058 626 HE2 PHE 79 HE2 PHE 79 -3.275 0.036 -3.052 627 HZ PHE 79 HZ PHE 79 -0.979 -0.704 -3.515 628 H GLU 80 HN GLU 80 -2.419 6.912 -1.970 629 HA GLU 80 HA GLU 80 -3.574 8.894 -3.647 630 HB2 GLU 80 HB3 GLU 80 -4.071 10.082 -1.453 631 HB3 GLU 80 HB2 GLU 80 -4.647 8.418 -1.554 632 HG2 GLU 80 HG3 GLU 80 -2.860 7.626 -0.322 633 HG3 GLU 80 HG2 GLU 80 -2.039 9.186 -0.338 634 H ARG 81 HN ARG 81 -0.378 8.624 -2.765 635 HA ARG 81 HA ARG 81 0.119 11.524 -2.607 636 HB2 ARG 81 HB2 ARG 81 2.031 9.271 -2.035 637 HB3 ARG 81 HB1 ARG 81 2.258 10.975 -1.668 638 HG2 ARG 81 HG2 ARG 81 0.132 9.220 -0.471 639 HG3 ARG 81 HG1 ARG 81 1.670 9.654 0.271 640 HD2 ARG 81 HD2 ARG 81 1.085 11.856 0.535 641 HD3 ARG 81 HD1 ARG 81 -0.210 11.759 -0.667 642 HE ARG 81 HE ARG 81 -1.414 10.358 0.956 643 HH11 ARG 81 HH11 ARG 81 1.104 12.463 2.272 644 HH12 ARG 81 HH12 ARG 81 0.306 12.706 3.748 645 HH21 ARG 81 HH21 ARG 81 -2.516 10.728 2.854 646 HH22 ARG 81 HH22 ARG 81 -1.844 11.640 4.128 647 H ILE 82 HN ILE 82 1.249 8.582 -4.189 648 HA ILE 82 HA ILE 82 3.090 9.970 -5.929 649 HB ILE 82 HB ILE 82 3.612 7.721 -6.785 650 HG12 ILE 82 HG12 ILE 82 1.397 6.777 -4.938 651 HG13 ILE 82 HG11 ILE 82 1.305 6.797 -6.691 652 HG21 ILE 82 HG21 ILE 82 4.709 8.496 -4.738 653 HG22 ILE 82 HG22 ILE 82 4.439 6.754 -4.677 654 HG23 ILE 82 HG23 ILE 82 3.387 7.840 -3.772 655 HD11 ILE 82 HD11 ILE 82 3.204 5.154 -5.036 656 HD12 ILE 82 HD12 ILE 82 3.112 5.152 -6.797 657 HD13 ILE 82 HD13 ILE 82 1.746 4.566 -5.836 658 H ASN 83 HN ASN 83 0.103 10.283 -6.107 659 HA ASN 83 HA ASN 83 -1.619 10.459 -7.491 660 HB2 ASN 83 HB3 ASN 83 -0.008 11.824 -8.883 661 HB3 ASN 83 HB2 ASN 83 0.338 10.364 -9.808 662 HD21 ASN 83 HD21 ASN 83 -1.268 9.554 -11.222 663 HD22 ASN 83 HD22 ASN 83 -2.652 10.488 -11.667 664 H ARG 84 HN ARG 84 -1.916 8.390 -6.610 665 HA ARG 84 HA ARG 84 -2.619 6.578 -8.725 666 HB2 ARG 84 HB2 ARG 84 -0.376 5.832 -7.969 667 HB3 ARG 84 HB1 ARG 84 -0.946 5.775 -6.312 668 HG2 ARG 84 HG2 ARG 84 -0.736 3.572 -7.477 669 HG3 ARG 84 HG1 ARG 84 -2.315 3.894 -6.761 670 HD2 ARG 84 HD2 ARG 84 -2.558 2.929 -8.955 671 HD3 ARG 84 HD1 ARG 84 -3.166 4.582 -8.888 672 HE ARG 84 HE ARG 84 -0.484 4.632 -9.758 673 HH11 ARG 84 HH11 ARG 84 -3.685 3.620 -11.129 674 HH12 ARG 84 HH12 ARG 84 -3.122 3.873 -12.703 675 HH21 ARG 84 HH21 ARG 84 0.127 4.903 -11.814 676 HH22 ARG 84 HH22 ARG 84 -0.889 4.605 -13.163 677 H LYS 85 HN LYS 85 -4.107 8.371 -7.410 678 HA LYS 85 HA LYS 85 -5.377 7.492 -5.050 679 HB2 LYS 85 HB2 LYS 85 -5.373 9.783 -5.726 680 HB3 LYS 85 HB1 LYS 85 -6.189 9.405 -7.247 681 HG2 LYS 85 HG2 LYS 85 -8.192 8.758 -5.848 682 HG3 LYS 85 HG1 LYS 85 -7.280 9.358 -4.450 683 HD2 LYS 85 HD2 LYS 85 -8.781 11.072 -5.202 684 HD3 LYS 85 HD1 LYS 85 -7.122 11.561 -5.502 685 HE2 LYS 85 HE2 LYS 85 -8.435 12.146 -7.420 686 HE3 LYS 85 HE1 LYS 85 -7.392 10.814 -7.879 687 HZ1 LYS 85 HZ1 LYS 85 -9.518 10.370 -8.742 688 HZ2 LYS 85 HZ2 LYS 85 -10.293 10.767 -7.321 689 HZ3 LYS 85 HZ3 LYS 85 -9.453 9.328 -7.406 690 H ASP 86 HN ASP 86 -5.573 6.984 -8.381 691 HA ASP 86 HA ASP 86 -7.865 5.826 -9.013 692 HB2 ASP 86 HB2 ASP 86 -6.359 6.122 -10.719 693 HB3 ASP 86 HB1 ASP 86 -5.041 5.378 -9.832 694 H LEU 87 HN LEU 87 -5.097 4.193 -7.419 695 HA LEU 87 HA LEU 87 -6.741 1.794 -7.075 696 HB2 LEU 87 HB2 LEU 87 -3.794 2.189 -6.567 697 HB3 LEU 87 HB1 LEU 87 -4.661 0.707 -6.238 698 HG LEU 87 HG LEU 87 -4.291 1.934 -8.968 699 HD11 LEU 87 HD11 LEU 87 -2.233 1.060 -7.961 700 HD12 LEU 87 HD12 LEU 87 -2.752 0.115 -9.355 701 HD13 LEU 87 HD13 LEU 87 -3.024 -0.498 -7.719 702 HD21 LEU 87 HD21 LEU 87 -5.184 -0.212 -9.778 703 HD22 LEU 87 HD22 LEU 87 -6.364 0.676 -8.827 704 HD23 LEU 87 HD23 LEU 87 -5.512 -0.695 -8.112 705 H TRP 88 HN TRP 88 -5.626 4.479 -5.413 706 HA TRP 88 HA TRP 88 -5.677 3.559 -2.744 707 HB2 TRP 88 HB2 TRP 88 -4.695 5.671 -3.414 708 HB3 TRP 88 HB1 TRP 88 -6.234 6.218 -3.998 709 HD1 TRP 88 HD1 TRP 88 -4.841 5.120 -0.559 710 HE1 TRP 88 HE1 TRP 88 -5.873 6.650 1.228 711 HE3 TRP 88 HE3 TRP 88 -7.897 7.824 -3.526 712 HZ2 TRP 88 HZ2 TRP 88 -7.756 8.742 1.356 713 HZ3 TRP 88 HZ3 TRP 88 -9.292 9.586 -2.526 714 HH2 TRP 88 HH2 TRP 88 -9.223 10.032 -0.140 715 H GLU 89 HN GLU 89 -8.148 5.065 -4.791 716 HA GLU 89 HA GLU 89 -10.252 4.853 -2.920 717 HB2 GLU 89 HB3 GLU 89 -10.291 5.092 -5.920 718 HB3 GLU 89 HB2 GLU 89 -11.711 5.256 -4.894 719 HG2 GLU 89 HG3 GLU 89 -10.693 7.188 -3.784 720 HG3 GLU 89 HG2 GLU 89 -9.238 6.964 -4.742 721 H ARG 90 HN ARG 90 -8.793 2.612 -4.922 722 HA ARG 90 HA ARG 90 -10.871 0.630 -5.015 723 HB2 ARG 90 HB2 ARG 90 -7.888 0.436 -5.439 724 HB3 ARG 90 HB1 ARG 90 -8.967 -0.940 -5.579 725 HG2 ARG 90 HG2 ARG 90 -9.167 1.557 -7.242 726 HG3 ARG 90 HG1 ARG 90 -8.357 0.071 -7.744 727 HD2 ARG 90 HD2 ARG 90 -11.273 0.377 -7.042 728 HD3 ARG 90 HD1 ARG 90 -10.593 0.137 -8.654 729 HE ARG 90 HE ARG 90 -9.802 -2.019 -7.903 730 HH11 ARG 90 HH11 ARG 90 -12.551 -0.558 -6.185 731 HH12 ARG 90 HH12 ARG 90 -13.061 -2.011 -5.465 732 HH21 ARG 90 HH21 ARG 90 -10.529 -4.018 -6.912 733 HH22 ARG 90 HH22 ARG 90 -11.869 -4.040 -5.880 734 H GLY 91 HN GLY 91 -8.123 1.294 -2.927 735 HA2 GLY 91 HA3 GLY 91 -8.618 -0.999 -1.231 736 HA3 GLY 91 HA2 GLY 91 -7.454 0.300 -0.947 737 H GLN 92 HN GLN 92 -9.213 2.417 -1.226 738 HA GLN 92 HA GLN 92 -10.278 2.536 1.421 739 HB2 GLN 92 HB2 GLN 92 -10.224 4.516 -0.837 740 HB3 GLN 92 HB1 GLN 92 -10.950 4.841 0.732 741 HG2 GLN 92 HG2 GLN 92 -8.085 4.035 0.370 742 HG3 GLN 92 HG1 GLN 92 -8.627 5.712 0.383 743 HE21 GLN 92 HE21 GLN 92 -9.427 6.563 2.242 744 HE22 GLN 92 HE22 GLN 92 -9.155 5.881 3.798 745 H ARG 93 HN ARG 93 -11.733 0.875 1.156 746 HA ARG 93 HA ARG 93 -14.239 1.799 0.035 747 HB2 ARG 93 HB2 ARG 93 -13.893 -0.454 -0.621 748 HB3 ARG 93 HB1 ARG 93 -13.298 -0.915 0.958 749 HG2 ARG 93 HG2 ARG 93 -16.076 0.003 0.918 750 HG3 ARG 93 HG1 ARG 93 -15.788 -1.515 0.028 751 HD2 ARG 93 HD2 ARG 93 -14.722 -2.433 2.026 752 HD3 ARG 93 HD1 ARG 93 -14.937 -0.895 2.844 753 HE ARG 93 HE ARG 93 -17.362 -2.168 1.906 754 HH11 ARG 93 HH11 ARG 93 -15.094 -1.853 4.592 755 HH12 ARG 93 HH12 ARG 93 -16.239 -2.167 5.807 756 HH21 ARG 93 HH21 ARG 93 -18.975 -2.705 3.605 757 HH22 ARG 93 HH22 ARG 93 -18.502 -2.656 5.219 758 H GLU 94 HN GLU 94 -14.905 3.294 1.313 759 HA GLU 94 HA GLU 94 -15.024 2.667 4.139 760 HB2 GLU 94 HB3 GLU 94 -15.067 5.380 2.822 761 HB3 GLU 94 HB2 GLU 94 -15.110 5.073 4.554 762 HG2 GLU 94 HG3 GLU 94 -12.901 3.930 4.330 763 HG3 GLU 94 HG2 GLU 94 -12.853 4.480 2.660 764 H ASP 95 HN ASP 95 -16.841 2.863 1.426 765 HA ASP 95 HA ASP 95 -19.271 3.419 2.931 766 HB2 ASP 95 HB2 ASP 95 -20.453 3.545 0.817 767 HB3 ASP 95 HB1 ASP 95 -19.006 4.530 0.683 768 H LEU 96 HN LEU 96 -21.100 1.807 1.967 769 HA LEU 96 HA LEU 96 -20.169 -0.752 2.985 770 HB2 LEU 96 HB2 LEU 96 -22.420 -1.350 3.375 771 HB3 LEU 96 HB1 LEU 96 -22.209 0.290 3.934 772 HG LEU 96 HG LEU 96 -23.483 -0.471 1.321 773 HD11 LEU 96 HD11 LEU 96 -24.811 -1.305 3.193 774 HD12 LEU 96 HD12 LEU 96 -25.632 0.031 2.393 775 HD13 LEU 96 HD13 LEU 96 -24.803 0.301 3.923 776 HD21 LEU 96 HD21 LEU 96 -24.424 1.833 1.381 777 HD22 LEU 96 HD22 LEU 96 -22.675 1.808 1.248 778 HD23 LEU 96 HD23 LEU 96 -23.434 2.171 2.801 779 H VAL 97 HN VAL 97 -20.608 0.520 -0.110 780 HA VAL 97 HA VAL 97 -21.483 -2.088 -1.116 781 HB VAL 97 HB VAL 97 -21.674 0.633 -2.448 782 HG11 VAL 97 HG11 VAL 97 -22.540 -2.072 -3.425 783 HG12 VAL 97 HG12 VAL 97 -21.459 -0.877 -4.194 784 HG13 VAL 97 HG13 VAL 97 -23.169 -0.554 -4.059 785 HG21 VAL 97 HG21 VAL 97 -23.813 -1.092 -1.220 786 HG22 VAL 97 HG22 VAL 97 -24.110 0.352 -2.182 787 HG23 VAL 97 HG23 VAL 97 -23.256 0.482 -0.644 788 H ARG 98 HN ARG 98 -19.720 0.619 -2.500 789 HA ARG 98 HA ARG 98 -17.221 -0.110 -2.942 790 HB2 ARG 98 HB2 ARG 98 -17.127 -1.156 -5.201 791 HB3 ARG 98 HB1 ARG 98 -17.961 -2.237 -4.102 792 HG2 ARG 98 HG2 ARG 98 -20.073 -1.729 -5.071 793 HG3 ARG 98 HG1 ARG 98 -19.404 -0.394 -6.033 794 HD2 ARG 98 HD2 ARG 98 -18.083 -2.064 -7.281 795 HD3 ARG 98 HD1 ARG 98 -18.793 -3.341 -6.294 796 HE ARG 98 HE ARG 98 -20.954 -2.080 -7.341 797 HH11 ARG 98 HH11 ARG 98 -18.048 -3.344 -8.918 798 HH12 ARG 98 HH12 ARG 98 -18.883 -3.903 -10.302 799 HH21 ARG 98 HH21 ARG 98 -22.075 -2.842 -9.293 800 HH22 ARG 98 HH22 ARG 98 -21.171 -3.590 -10.519 801 H ASP 99 HN ASP 99 -16.725 0.859 -5.425 802 HA ASP 99 HA ASP 99 -17.619 3.509 -5.485 803 HB2 ASP 99 HB2 ASP 99 -15.629 2.717 -6.659 804 HB3 ASP 99 HB1 ASP 99 -16.656 1.716 -7.688 805 H THR 100 HN THR 100 -19.756 4.044 -5.656 806 HA THR 100 HA THR 100 -21.377 2.531 -7.610 807 HB THR 100 HB THR 100 -22.531 3.898 -5.163 808 HG1 THR 100 HG1 THR 100 -20.798 1.978 -5.074 809 HG21 THR 100 HG21 THR 100 -24.105 3.169 -6.928 810 HG22 THR 100 HG22 THR 100 -24.309 2.208 -5.465 811 HG23 THR 100 HG23 THR 100 -23.440 1.538 -6.845 812 H VAL 101 HN VAL 101 -19.787 5.176 -7.693 813 HA VAL 101 HA VAL 101 -21.971 7.005 -8.251 814 HB VAL 101 HB VAL 101 -20.262 8.727 -8.711 815 HG11 VAL 101 HG11 VAL 101 -19.782 7.248 -6.134 816 HG12 VAL 101 HG12 VAL 101 -21.015 8.476 -6.430 817 HG13 VAL 101 HG13 VAL 101 -19.306 8.914 -6.459 818 HG21 VAL 101 HG21 VAL 101 -18.524 7.308 -9.658 819 HG22 VAL 101 HG22 VAL 101 -18.251 6.568 -8.082 820 HG23 VAL 101 HG23 VAL 101 -17.886 8.277 -8.331 821 H GLU 102 HN GLU 102 -22.132 8.077 -10.329 822 HA GLU 102 HA GLU 102 -21.344 6.239 -12.452 823 HB2 GLU 102 HB3 GLU 102 -23.756 8.061 -12.312 824 HB3 GLU 102 HB2 GLU 102 -23.328 7.067 -13.695 825 HG2 GLU 102 HG3 GLU 102 -23.569 5.054 -12.296 826 HG3 GLU 102 HG2 GLU 102 -24.062 6.075 -10.946 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 2.736 -21.645 10.623 2 H2 GLY 1 HT2 GLY 1 1.711 -21.161 11.898 3 H3 GLY 1 HT3 GLY 1 2.884 -22.368 12.128 4 HA2 GLY 1 HA2 GLY 1 3.542 -19.607 11.423 5 HA3 GLY 1 HA3 GLY 1 3.569 -20.260 13.067 6 H HIS 2 HN HIS 2 5.792 -19.197 11.675 7 HA HIS 2 HA HIS 2 7.953 -19.538 11.193 8 HB2 HIS 2 HB2 HIS 2 7.603 -21.834 13.128 9 HB3 HIS 2 HB1 HIS 2 9.156 -21.194 12.611 10 HD1 HIS 2 HD1 HIS 2 10.074 -19.285 14.023 11 HD2 HIS 2 HD2 HIS 2 6.014 -19.920 14.615 12 HE1 HIS 2 HE1 HIS 2 9.411 -17.812 15.939 13 H MET 3 HN MET 3 7.406 -22.972 11.547 14 HA MET 3 HA MET 3 8.884 -23.676 9.242 15 HB2 MET 3 HB2 MET 3 8.068 -25.962 9.632 16 HB3 MET 3 HB1 MET 3 8.640 -25.227 11.118 17 HG2 MET 3 HG2 MET 3 6.272 -24.720 11.704 18 HG3 MET 3 HG1 MET 3 5.771 -25.613 10.272 19 HE1 MET 3 HE1 MET 3 7.991 -27.994 10.328 20 HE2 MET 3 HE2 MET 3 6.288 -28.257 9.948 21 HE3 MET 3 HE3 MET 3 7.083 -29.237 11.182 22 H LEU 4 HN LEU 4 5.571 -22.956 9.745 23 HA LEU 4 HA LEU 4 5.103 -23.140 6.868 24 HB2 LEU 4 HB2 LEU 4 3.993 -25.078 7.958 25 HB3 LEU 4 HB1 LEU 4 3.172 -23.981 9.045 26 HG LEU 4 HG LEU 4 2.020 -22.977 7.075 27 HD11 LEU 4 HD11 LEU 4 3.583 -23.592 5.334 28 HD12 LEU 4 HD12 LEU 4 1.980 -24.234 4.979 29 HD13 LEU 4 HD13 LEU 4 3.236 -25.300 5.602 30 HD21 LEU 4 HD21 LEU 4 0.921 -24.621 8.468 31 HD22 LEU 4 HD22 LEU 4 1.617 -25.926 7.510 32 HD23 LEU 4 HD23 LEU 4 0.450 -24.820 6.783 33 H ARG 5 HN ARG 5 5.276 -20.963 6.624 34 HA ARG 5 HA ARG 5 4.262 -19.168 8.527 35 HB2 ARG 5 HB2 ARG 5 4.712 -17.392 6.848 36 HB3 ARG 5 HB1 ARG 5 6.083 -18.446 7.144 37 HG2 ARG 5 HG2 ARG 5 5.503 -19.675 5.054 38 HG3 ARG 5 HG1 ARG 5 4.256 -18.467 4.751 39 HD2 ARG 5 HD2 ARG 5 5.921 -16.711 4.717 40 HD3 ARG 5 HD1 ARG 5 7.192 -17.869 5.102 41 HE ARG 5 HE ARG 5 5.639 -17.823 2.600 42 HH11 ARG 5 HH11 ARG 5 8.626 -18.667 4.336 43 HH12 ARG 5 HH12 ARG 5 9.484 -19.049 2.919 44 HH21 ARG 5 HH21 ARG 5 6.883 -18.343 0.666 45 HH22 ARG 5 HH22 ARG 5 8.484 -18.904 0.840 46 H THR 6 HN THR 6 2.378 -18.220 8.781 47 HA THR 6 HA THR 6 0.095 -19.261 7.533 48 HB THR 6 HB THR 6 0.283 -16.697 9.129 49 HG1 THR 6 HG1 THR 6 -0.175 -18.951 10.607 50 HG21 THR 6 HG21 THR 6 -1.789 -18.901 9.006 51 HG22 THR 6 HG22 THR 6 -1.926 -17.337 8.205 52 HG23 THR 6 HG23 THR 6 -1.906 -17.427 9.968 53 H ALA 7 HN ALA 7 -0.128 -18.826 5.400 54 HA ALA 7 HA ALA 7 0.648 -16.261 4.327 55 HB1 ALA 7 HB1 ALA 7 -0.424 -18.706 2.917 56 HB2 ALA 7 HB2 ALA 7 1.274 -18.288 3.123 57 HB3 ALA 7 HB3 ALA 7 0.228 -17.266 2.138 58 H GLY 8 HN GLY 8 -2.177 -17.669 5.514 59 HA2 GLY 8 HA3 GLY 8 -3.988 -16.104 3.878 60 HA3 GLY 8 HA2 GLY 8 -4.432 -17.144 5.229 61 H ARG 9 HN ARG 9 -2.436 -14.282 4.782 62 HA ARG 9 HA ARG 9 -3.480 -13.212 7.304 63 HB2 ARG 9 HB2 ARG 9 -1.077 -12.450 5.665 64 HB3 ARG 9 HB1 ARG 9 -1.649 -11.491 7.018 65 HG2 ARG 9 HG2 ARG 9 -0.748 -14.352 7.149 66 HG3 ARG 9 HG1 ARG 9 0.190 -12.941 7.649 67 HD2 ARG 9 HD2 ARG 9 -1.596 -12.387 9.263 68 HD3 ARG 9 HD1 ARG 9 -2.423 -13.871 8.824 69 HE ARG 9 HE ARG 9 0.315 -14.182 9.657 70 HH11 ARG 9 HH11 ARG 9 -3.072 -14.246 10.715 71 HH12 ARG 9 HH12 ARG 9 -2.744 -15.174 12.108 72 HH21 ARG 9 HH21 ARG 9 0.740 -15.428 11.585 73 HH22 ARG 9 HH22 ARG 9 -0.552 -15.874 12.602 74 H ASP 10 HN ASP 10 -4.297 -11.179 7.508 75 HA ASP 10 HA ASP 10 -5.615 -10.239 5.166 76 HB2 ASP 10 HB2 ASP 10 -6.757 -10.206 7.407 77 HB3 ASP 10 HB1 ASP 10 -5.605 -8.982 7.934 78 H GLY 11 HN GLY 11 -5.194 -8.219 4.209 79 HA2 GLY 11 HA3 GLY 11 -4.013 -6.185 3.995 80 HA3 GLY 11 HA2 GLY 11 -2.889 -6.754 5.236 81 H LEU 12 HN LEU 12 -1.825 -8.874 4.561 82 HA LEU 12 HA LEU 12 0.098 -8.355 2.624 83 HB2 LEU 12 HB2 LEU 12 0.283 -10.068 4.397 84 HB3 LEU 12 HB1 LEU 12 -0.860 -11.049 3.534 85 HG LEU 12 HG LEU 12 0.708 -11.293 1.653 86 HD11 LEU 12 HD11 LEU 12 1.979 -9.240 1.873 87 HD12 LEU 12 HD12 LEU 12 3.062 -10.631 1.917 88 HD13 LEU 12 HD13 LEU 12 2.649 -9.796 3.405 89 HD21 LEU 12 HD21 LEU 12 0.646 -12.984 3.402 90 HD22 LEU 12 HD22 LEU 12 1.843 -12.083 4.331 91 HD23 LEU 12 HD23 LEU 12 2.283 -12.792 2.776 92 H CYS 13 HN CYS 13 -2.702 -10.493 2.282 93 HA CYS 13 HA CYS 13 -2.148 -11.166 -0.421 94 HB2 CYS 13 HB2 CYS 13 -4.509 -11.514 1.339 95 HB3 CYS 13 HB1 CYS 13 -4.359 -12.273 -0.263 96 HG CYS 13 HG CYS 13 -1.911 -13.572 0.636 97 H ARG 14 HN ARG 14 -3.558 -8.484 0.978 98 HA ARG 14 HA ARG 14 -5.268 -7.807 -1.308 99 HB2 ARG 14 HB2 ARG 14 -6.043 -7.425 1.013 100 HB3 ARG 14 HB1 ARG 14 -4.660 -6.395 1.302 101 HG2 ARG 14 HG2 ARG 14 -5.548 -4.774 -0.296 102 HG3 ARG 14 HG1 ARG 14 -6.925 -5.840 -0.601 103 HD2 ARG 14 HD2 ARG 14 -6.191 -4.591 2.051 104 HD3 ARG 14 HD1 ARG 14 -7.537 -4.118 1.010 105 HE ARG 14 HE ARG 14 -8.415 -6.390 1.381 106 HH11 ARG 14 HH11 ARG 14 -6.340 -4.939 3.912 107 HH12 ARG 14 HH12 ARG 14 -6.897 -6.021 5.119 108 HH21 ARG 14 HH21 ARG 14 -9.135 -7.767 3.063 109 HH22 ARG 14 HH22 ARG 14 -8.487 -7.635 4.642 110 H LEU 15 HN LEU 15 -2.490 -6.829 0.500 111 HA LEU 15 HA LEU 15 -1.636 -4.504 -0.634 112 HB2 LEU 15 HB2 LEU 15 -0.895 -5.492 1.445 113 HB3 LEU 15 HB1 LEU 15 -0.164 -6.814 0.581 114 HG LEU 15 HG LEU 15 1.518 -5.288 -0.336 115 HD11 LEU 15 HD11 LEU 15 0.131 -3.267 -0.378 116 HD12 LEU 15 HD12 LEU 15 1.648 -3.028 0.487 117 HD13 LEU 15 HD13 LEU 15 0.150 -3.245 1.388 118 HD21 LEU 15 HD21 LEU 15 1.148 -5.136 2.639 119 HD22 LEU 15 HD22 LEU 15 2.648 -4.819 1.770 120 HD23 LEU 15 HD23 LEU 15 1.941 -6.436 1.749 121 H SER 16 HN SER 16 -0.629 -7.856 -1.419 122 HA SER 16 HA SER 16 1.235 -7.108 -3.367 123 HB2 SER 16 HB2 SER 16 1.011 -9.569 -3.979 124 HB3 SER 16 HB1 SER 16 1.446 -9.211 -2.312 125 HG SER 16 HG SER 16 -0.162 -10.553 -2.007 126 H THR 17 HN THR 17 -2.152 -7.892 -3.504 127 HA THR 17 HA THR 17 -2.355 -8.115 -6.309 128 HB THR 17 HB THR 17 -4.525 -7.616 -4.266 129 HG1 THR 17 HG1 THR 17 -2.780 -9.639 -4.665 130 HG21 THR 17 HG21 THR 17 -5.917 -8.898 -5.854 131 HG22 THR 17 HG22 THR 17 -4.548 -9.011 -6.964 132 HG23 THR 17 HG23 THR 17 -5.273 -7.441 -6.604 133 H TYR 18 HN TYR 18 -2.561 -5.394 -4.096 134 HA TYR 18 HA TYR 18 -3.545 -3.695 -6.223 135 HB2 TYR 18 HB2 TYR 18 -2.875 -3.157 -3.346 136 HB3 TYR 18 HB1 TYR 18 -3.078 -1.828 -4.482 137 HD1 TYR 18 HD2 TYR 18 -5.255 -1.337 -5.443 138 HD2 TYR 18 HD1 TYR 18 -4.782 -4.482 -2.626 139 HE1 TYR 18 HE2 TYR 18 -7.689 -1.394 -5.107 140 HE2 TYR 18 HE1 TYR 18 -7.214 -4.547 -2.285 141 HH TYR 18 HH TYR 18 -9.130 -3.021 -2.530 142 H LEU 19 HN LEU 19 -0.520 -4.338 -4.582 143 HA LEU 19 HA LEU 19 0.919 -2.232 -5.781 144 HB2 LEU 19 HB2 LEU 19 1.841 -4.829 -4.579 145 HB3 LEU 19 HB1 LEU 19 2.952 -3.620 -5.193 146 HG LEU 19 HG LEU 19 1.006 -3.174 -2.902 147 HD11 LEU 19 HD11 LEU 19 3.984 -3.610 -2.900 148 HD12 LEU 19 HD12 LEU 19 2.764 -4.745 -2.320 149 HD13 LEU 19 HD13 LEU 19 2.987 -3.200 -1.505 150 HD21 LEU 19 HD21 LEU 19 2.254 -1.102 -2.575 151 HD22 LEU 19 HD22 LEU 19 1.507 -1.135 -4.166 152 HD23 LEU 19 HD23 LEU 19 3.232 -1.451 -3.999 153 H GLU 20 HN GLU 20 0.107 -5.421 -6.929 154 HA GLU 20 HA GLU 20 1.996 -5.441 -9.033 155 HB2 GLU 20 HB3 GLU 20 0.669 -7.258 -10.035 156 HB3 GLU 20 HB2 GLU 20 1.025 -7.524 -8.336 157 HG2 GLU 20 HG3 GLU 20 -1.190 -6.886 -7.726 158 HG3 GLU 20 HG2 GLU 20 -1.557 -6.457 -9.396 159 H GLU 21 HN GLU 21 -0.871 -3.695 -8.662 160 HA GLU 21 HA GLU 21 -1.255 -3.386 -11.508 161 HB2 GLU 21 HB3 GLU 21 -2.723 -2.245 -9.142 162 HB3 GLU 21 HB2 GLU 21 -3.095 -1.818 -10.807 163 HG2 GLU 21 HG3 GLU 21 -3.229 -4.584 -9.628 164 HG3 GLU 21 HG2 GLU 21 -4.608 -3.524 -9.936 165 H LEU 22 HN LEU 22 0.846 -2.120 -9.337 166 HA LEU 22 HA LEU 22 0.821 0.572 -10.464 167 HB2 LEU 22 HB2 LEU 22 2.787 -0.672 -8.531 168 HB3 LEU 22 HB1 LEU 22 2.783 0.951 -9.186 169 HG LEU 22 HG LEU 22 0.673 -0.194 -7.350 170 HD11 LEU 22 HD11 LEU 22 2.970 1.687 -6.856 171 HD12 LEU 22 HD12 LEU 22 2.733 0.079 -6.152 172 HD13 LEU 22 HD13 LEU 22 1.655 1.406 -5.726 173 HD21 LEU 22 HD21 LEU 22 1.097 2.607 -8.392 174 HD22 LEU 22 HD22 LEU 22 -0.077 2.125 -7.171 175 HD23 LEU 22 HD23 LEU 22 -0.229 1.521 -8.823 176 H GLU 23 HN GLU 23 2.408 1.429 -11.566 177 HA GLU 23 HA GLU 23 3.742 -0.237 -13.447 178 HB2 GLU 23 HB3 GLU 23 3.006 2.450 -13.100 179 HB3 GLU 23 HB2 GLU 23 4.758 2.426 -13.198 180 HG2 GLU 23 HG3 GLU 23 2.869 1.203 -15.076 181 HG3 GLU 23 HG2 GLU 23 3.657 2.778 -15.331 182 H ALA 24 HN ALA 24 6.132 -0.137 -13.705 183 HA ALA 24 HA ALA 24 7.495 -0.745 -11.301 184 HB1 ALA 24 HB1 ALA 24 9.523 -0.779 -12.681 185 HB2 ALA 24 HB2 ALA 24 8.630 -0.029 -14.007 186 HB3 ALA 24 HB3 ALA 24 8.202 -1.651 -13.462 187 H VAL 25 HN VAL 25 7.200 2.112 -13.289 188 HA VAL 25 HA VAL 25 9.021 3.676 -11.807 189 HB VAL 25 HB VAL 25 8.345 4.381 -14.060 190 HG11 VAL 25 HG11 VAL 25 6.067 3.683 -14.147 191 HG12 VAL 25 HG12 VAL 25 6.147 5.412 -14.488 192 HG13 VAL 25 HG13 VAL 25 5.610 4.846 -12.904 193 HG21 VAL 25 HG21 VAL 25 7.529 6.405 -11.982 194 HG22 VAL 25 HG22 VAL 25 7.949 6.770 -13.657 195 HG23 VAL 25 HG23 VAL 25 9.165 6.108 -12.560 196 H GLU 26 HN GLU 26 5.660 2.880 -11.321 197 HA GLU 26 HA GLU 26 5.233 4.843 -9.275 198 HB2 GLU 26 HB3 GLU 26 3.676 2.423 -10.108 199 HB3 GLU 26 HB2 GLU 26 3.128 3.501 -8.824 200 HG2 GLU 26 HG3 GLU 26 3.126 5.330 -10.477 201 HG3 GLU 26 HG2 GLU 26 3.575 4.163 -11.717 202 H LEU 27 HN LEU 27 5.994 1.419 -9.382 203 HA LEU 27 HA LEU 27 6.015 0.933 -6.617 204 HB2 LEU 27 HB2 LEU 27 7.610 -0.341 -8.851 205 HB3 LEU 27 HB1 LEU 27 7.553 -0.969 -7.219 206 HG LEU 27 HG LEU 27 5.095 -0.681 -8.954 207 HD11 LEU 27 HD11 LEU 27 6.848 -3.114 -8.555 208 HD12 LEU 27 HD12 LEU 27 6.581 -2.225 -10.066 209 HD13 LEU 27 HD13 LEU 27 5.262 -3.103 -9.321 210 HD21 LEU 27 HD21 LEU 27 4.135 -2.261 -7.355 211 HD22 LEU 27 HD22 LEU 27 4.677 -0.788 -6.553 212 HD23 LEU 27 HD23 LEU 27 5.643 -2.261 -6.442 213 H LYS 28 HN LYS 28 8.432 2.137 -8.818 214 HA LYS 28 HA LYS 28 10.612 2.334 -7.087 215 HB2 LYS 28 HB2 LYS 28 10.703 2.561 -9.540 216 HB3 LYS 28 HB1 LYS 28 9.826 4.074 -9.427 217 HG2 LYS 28 HG2 LYS 28 11.716 5.043 -8.190 218 HG3 LYS 28 HG1 LYS 28 12.596 3.521 -8.394 219 HD2 LYS 28 HD2 LYS 28 12.391 3.744 -10.830 220 HD3 LYS 28 HD1 LYS 28 11.555 5.279 -10.608 221 HE2 LYS 28 HE2 LYS 28 13.551 6.179 -9.496 222 HE3 LYS 28 HE1 LYS 28 14.368 4.638 -9.772 223 HZ1 LYS 28 HZ1 LYS 28 13.336 6.446 -11.874 224 HZ2 LYS 28 HZ2 LYS 28 14.099 4.975 -12.151 225 HZ3 LYS 28 HZ3 LYS 28 14.956 6.256 -11.462 226 H LYS 29 HN LYS 29 8.014 4.615 -7.867 227 HA LYS 29 HA LYS 29 8.819 6.800 -6.250 228 HB2 LYS 29 HB2 LYS 29 6.027 5.877 -6.913 229 HB3 LYS 29 HB1 LYS 29 6.431 7.427 -6.221 230 HG2 LYS 29 HG2 LYS 29 7.572 8.065 -8.271 231 HG3 LYS 29 HG1 LYS 29 7.202 6.482 -8.973 232 HD2 LYS 29 HD2 LYS 29 4.803 6.916 -8.693 233 HD3 LYS 29 HD1 LYS 29 5.173 8.491 -7.995 234 HE2 LYS 29 HE2 LYS 29 6.189 9.165 -10.108 235 HE3 LYS 29 HE1 LYS 29 5.799 7.586 -10.796 236 HZ1 LYS 29 HZ1 LYS 29 4.163 9.255 -11.406 237 HZ2 LYS 29 HZ2 LYS 29 3.833 9.575 -9.792 238 HZ3 LYS 29 HZ3 LYS 29 3.429 8.076 -10.451 239 H PHE 30 HN PHE 30 6.556 4.197 -5.722 240 HA PHE 30 HA PHE 30 5.707 4.700 -3.188 241 HB2 PHE 30 HB2 PHE 30 4.401 3.133 -4.130 242 HB3 PHE 30 HB1 PHE 30 5.713 2.474 -5.075 243 HD1 PHE 30 HD1 PHE 30 4.084 2.343 -1.685 244 HD2 PHE 30 HD2 PHE 30 6.663 0.474 -4.519 245 HE1 PHE 30 HE1 PHE 30 4.016 0.324 -0.405 246 HE2 PHE 30 HE2 PHE 30 6.618 -1.584 -3.191 247 HZ PHE 30 HZ PHE 30 5.292 -1.673 -1.131 248 H LYS 31 HN LYS 31 8.517 2.701 -4.075 249 HA LYS 31 HA LYS 31 9.073 2.246 -1.281 250 HB2 LYS 31 HB2 LYS 31 11.071 1.009 -2.003 251 HB3 LYS 31 HB1 LYS 31 9.640 0.461 -2.845 252 HG2 LYS 31 HG2 LYS 31 11.454 0.462 -4.401 253 HG3 LYS 31 HG1 LYS 31 10.394 1.797 -4.835 254 HD2 LYS 31 HD2 LYS 31 11.926 3.379 -3.803 255 HD3 LYS 31 HD1 LYS 31 12.932 2.058 -3.219 256 HE2 LYS 31 HE2 LYS 31 12.421 2.689 -6.129 257 HE3 LYS 31 HE1 LYS 31 13.846 3.180 -5.221 258 HZ1 LYS 31 HZ1 LYS 31 13.032 0.353 -5.719 259 HZ2 LYS 31 HZ2 LYS 31 14.409 0.882 -4.873 260 HZ3 LYS 31 HZ3 LYS 31 14.256 1.204 -6.499 261 H LEU 32 HN LEU 32 10.150 4.689 -3.479 262 HA LEU 32 HA LEU 32 12.168 5.388 -1.546 263 HB2 LEU 32 HB2 LEU 32 12.718 7.270 -2.931 264 HB3 LEU 32 HB1 LEU 32 12.595 5.853 -3.937 265 HG LEU 32 HG LEU 32 10.221 6.785 -4.525 266 HD11 LEU 32 HD11 LEU 32 10.028 9.207 -4.459 267 HD12 LEU 32 HD12 LEU 32 11.527 9.309 -3.539 268 HD13 LEU 32 HD13 LEU 32 10.116 8.525 -2.833 269 HD21 LEU 32 HD21 LEU 32 12.037 6.607 -6.094 270 HD22 LEU 32 HD22 LEU 32 12.774 8.053 -5.415 271 HD23 LEU 32 HD23 LEU 32 11.244 8.182 -6.295 272 H TYR 33 HN TYR 33 8.923 6.192 -2.241 273 HA TYR 33 HA TYR 33 8.845 8.462 -0.639 274 HB2 TYR 33 HB2 TYR 33 7.046 7.876 -2.237 275 HB3 TYR 33 HB1 TYR 33 6.585 6.528 -1.199 276 HD1 TYR 33 HD1 TYR 33 6.674 10.160 -1.533 277 HD2 TYR 33 HD2 TYR 33 5.385 6.903 0.859 278 HE1 TYR 33 HE1 TYR 33 5.259 11.690 -0.213 279 HE2 TYR 33 HE2 TYR 33 3.973 8.381 2.170 280 HH TYR 33 HH TYR 33 3.986 10.886 2.727 281 H LEU 34 HN LEU 34 7.536 5.229 0.179 282 HA LEU 34 HA LEU 34 7.540 6.010 2.936 283 HB2 LEU 34 HB2 LEU 34 6.713 3.707 3.376 284 HB3 LEU 34 HB1 LEU 34 5.713 4.699 2.340 285 HG LEU 34 HG LEU 34 6.689 3.428 0.383 286 HD11 LEU 34 HD11 LEU 34 8.660 2.482 1.442 287 HD12 LEU 34 HD12 LEU 34 7.608 1.210 0.815 288 HD13 LEU 34 HD13 LEU 34 7.641 1.558 2.543 289 HD21 LEU 34 HD21 LEU 34 5.208 1.567 0.690 290 HD22 LEU 34 HD22 LEU 34 4.474 3.076 1.266 291 HD23 LEU 34 HD23 LEU 34 5.119 1.902 2.421 292 H GLY 35 HN GLY 35 9.902 4.733 1.012 293 HA2 GLY 35 HA3 GLY 35 11.129 3.343 3.166 294 HA3 GLY 35 HA2 GLY 35 11.835 3.564 1.553 295 H THR 36 HN THR 36 11.198 6.478 1.795 296 HA THR 36 HA THR 36 13.440 7.176 3.628 297 HB THR 36 HB THR 36 13.951 9.132 2.276 298 HG1 THR 36 HG1 THR 36 11.886 8.429 0.465 299 HG21 THR 36 HG21 THR 36 14.860 6.993 1.432 300 HG22 THR 36 HG22 THR 36 14.511 8.116 0.109 301 HG23 THR 36 HG23 THR 36 13.418 6.790 0.434 302 H ALA 37 HN ALA 37 10.174 7.449 3.230 303 HA ALA 37 HA ALA 37 9.335 9.952 3.855 304 HB1 ALA 37 HB1 ALA 37 8.071 7.442 4.879 305 HB2 ALA 37 HB2 ALA 37 7.786 8.207 3.300 306 HB3 ALA 37 HB3 ALA 37 7.334 9.038 4.798 307 H THR 38 HN THR 38 9.496 11.319 5.364 308 HA THR 38 HA THR 38 10.619 10.509 7.850 309 HB THR 38 HB THR 38 10.523 13.001 8.288 310 HG1 THR 38 HG1 THR 38 10.440 13.506 5.590 311 HG21 THR 38 HG21 THR 38 12.485 13.446 6.849 312 HG22 THR 38 HG22 THR 38 12.117 11.995 5.920 313 HG23 THR 38 HG23 THR 38 12.589 11.861 7.613 314 H GLU 39 HN GLU 39 7.526 10.870 6.613 315 HA GLU 39 HA GLU 39 6.229 11.724 9.021 316 HB2 GLU 39 HB3 GLU 39 4.133 11.147 7.940 317 HB3 GLU 39 HB2 GLU 39 5.171 11.951 6.778 318 HG2 GLU 39 HG3 GLU 39 5.781 9.709 5.880 319 HG3 GLU 39 HG2 GLU 39 4.566 9.013 6.949 320 H LEU 40 HN LEU 40 7.538 8.814 7.935 321 HA LEU 40 HA LEU 40 6.262 7.405 10.132 322 HB2 LEU 40 HB2 LEU 40 7.111 5.328 9.103 323 HB3 LEU 40 HB1 LEU 40 5.907 6.257 8.185 324 HG LEU 40 HG LEU 40 7.948 7.084 6.880 325 HD11 LEU 40 HD11 LEU 40 9.631 6.236 8.372 326 HD12 LEU 40 HD12 LEU 40 9.777 5.542 6.745 327 HD13 LEU 40 HD13 LEU 40 9.091 4.578 8.063 328 HD21 LEU 40 HD21 LEU 40 6.955 4.270 6.669 329 HD22 LEU 40 HD22 LEU 40 7.810 5.145 5.397 330 HD23 LEU 40 HD23 LEU 40 6.231 5.712 5.959 331 H GLY 41 HN GLY 41 9.126 8.573 9.005 332 HA2 GLY 41 HA3 GLY 41 10.293 9.234 11.288 333 HA3 GLY 41 HA2 GLY 41 10.598 7.505 11.295 334 H GLU 42 HN GLU 42 12.305 6.839 10.387 335 HA GLU 42 HA GLU 42 13.984 8.674 8.847 336 HB2 GLU 42 HB3 GLU 42 15.059 7.680 10.759 337 HB3 GLU 42 HB2 GLU 42 14.539 6.075 10.287 338 HG2 GLU 42 HG3 GLU 42 16.034 6.156 8.363 339 HG3 GLU 42 HG2 GLU 42 16.534 7.785 8.819 340 H GLY 43 HN GLY 43 12.392 5.575 8.745 341 HA2 GLY 43 HA3 GLY 43 11.636 5.070 6.379 342 HA3 GLY 43 HA2 GLY 43 13.355 5.180 6.021 343 H LYS 44 HN LYS 44 10.975 3.089 6.694 344 HA LYS 44 HA LYS 44 12.582 1.296 8.292 345 HB2 LYS 44 HB2 LYS 44 9.783 1.131 7.252 346 HB3 LYS 44 HB1 LYS 44 10.611 -0.335 7.727 347 HG2 LYS 44 HG2 LYS 44 9.335 0.291 9.590 348 HG3 LYS 44 HG1 LYS 44 10.977 0.769 9.984 349 HD2 LYS 44 HD2 LYS 44 10.414 3.101 9.406 350 HD3 LYS 44 HD1 LYS 44 8.764 2.591 9.022 351 HE2 LYS 44 HE2 LYS 44 8.586 1.688 11.361 352 HE3 LYS 44 HE1 LYS 44 10.150 2.425 11.688 353 HZ1 LYS 44 HZ1 LYS 44 7.697 3.911 10.903 354 HZ2 LYS 44 HZ2 LYS 44 9.171 4.621 11.372 355 HZ3 LYS 44 HZ3 LYS 44 8.278 3.737 12.450 356 H ILE 45 HN ILE 45 12.533 2.019 5.073 357 HA ILE 45 HA ILE 45 13.114 -0.735 4.309 358 HB ILE 45 HB ILE 45 12.552 1.622 2.501 359 HG12 ILE 45 HG12 ILE 45 10.549 0.861 3.793 360 HG13 ILE 45 HG11 ILE 45 10.388 0.606 2.059 361 HG21 ILE 45 HG21 ILE 45 12.949 -1.314 1.935 362 HG22 ILE 45 HG22 ILE 45 14.016 -0.011 1.471 363 HG23 ILE 45 HG23 ILE 45 12.398 -0.129 0.748 364 HD11 ILE 45 HD11 ILE 45 10.992 -1.711 2.362 365 HD12 ILE 45 HD12 ILE 45 9.528 -1.291 3.272 366 HD13 ILE 45 HD13 ILE 45 11.082 -1.477 4.112 367 HA PRO 46 HA PRO 46 17.392 0.578 4.059 368 HB2 PRO 46 HB2 PRO 46 18.312 -1.801 3.052 369 HB3 PRO 46 HB1 PRO 46 18.094 -1.454 4.770 370 HG2 PRO 46 HG2 PRO 46 16.330 -2.958 2.903 371 HG3 PRO 46 HG1 PRO 46 16.698 -3.260 4.630 372 HD2 PRO 46 HD2 PRO 46 14.408 -2.149 3.668 373 HD3 PRO 46 HD1 PRO 46 15.039 -1.813 5.287 374 H TRP 47 HN TRP 47 19.027 0.549 2.407 375 HA TRP 47 HA TRP 47 18.160 1.962 0.180 376 HB2 TRP 47 HB2 TRP 47 20.891 0.850 0.801 377 HB3 TRP 47 HB1 TRP 47 20.530 2.158 -0.320 378 HD1 TRP 47 HD1 TRP 47 20.279 4.566 0.684 379 HE1 TRP 47 HE1 TRP 47 20.504 5.570 3.041 380 HE3 TRP 47 HE3 TRP 47 20.475 0.236 3.423 381 HZ2 TRP 47 HZ2 TRP 47 20.734 4.658 5.702 382 HZ3 TRP 47 HZ3 TRP 47 20.684 0.385 5.848 383 HH2 TRP 47 HH2 TRP 47 20.820 2.560 6.978 384 H GLY 48 HN GLY 48 18.840 -1.464 0.448 385 HA2 GLY 48 HA3 GLY 48 18.561 -1.635 -2.474 386 HA3 GLY 48 HA2 GLY 48 19.944 -2.400 -1.719 387 H SER 49 HN SER 49 16.619 -2.348 -0.461 388 HA SER 49 HA SER 49 16.590 -5.272 -0.818 389 HB2 SER 49 HB2 SER 49 14.873 -5.168 0.995 390 HB3 SER 49 HB1 SER 49 16.463 -4.566 1.486 391 HG SER 49 HG SER 49 14.120 -3.299 1.459 392 H MET 50 HN MET 50 15.545 -2.601 -2.306 393 HA MET 50 HA MET 50 13.037 -3.803 -3.165 394 HB2 MET 50 HB2 MET 50 12.073 -1.404 -3.076 395 HB3 MET 50 HB1 MET 50 12.132 -2.367 -1.614 396 HG2 MET 50 HG2 MET 50 12.755 -0.043 -1.243 397 HG3 MET 50 HG1 MET 50 14.035 -1.149 -0.821 398 HE1 MET 50 HE1 MET 50 15.940 2.087 -2.071 399 HE2 MET 50 HE2 MET 50 15.732 0.951 -0.741 400 HE3 MET 50 HE3 MET 50 14.411 2.028 -1.191 401 H GLU 51 HN GLU 51 15.673 -3.471 -4.426 402 HA GLU 51 HA GLU 51 15.210 -1.484 -6.489 403 HB2 GLU 51 HB3 GLU 51 17.365 -3.544 -6.168 404 HB3 GLU 51 HB2 GLU 51 17.335 -2.330 -7.428 405 HG2 GLU 51 HG3 GLU 51 17.423 -0.644 -5.585 406 HG3 GLU 51 HG2 GLU 51 17.720 -2.002 -4.485 407 H LYS 52 HN LYS 52 15.728 -4.988 -6.329 408 HA LYS 52 HA LYS 52 14.424 -5.237 -8.943 409 HB2 LYS 52 HB2 LYS 52 16.207 -7.215 -7.487 410 HB3 LYS 52 HB1 LYS 52 15.436 -7.522 -9.031 411 HG2 LYS 52 HG2 LYS 52 17.584 -6.955 -9.668 412 HG3 LYS 52 HG1 LYS 52 16.751 -5.409 -9.804 413 HD2 LYS 52 HD2 LYS 52 17.583 -4.823 -7.554 414 HD3 LYS 52 HD1 LYS 52 18.519 -6.320 -7.528 415 HE2 LYS 52 HE2 LYS 52 19.617 -5.544 -9.659 416 HE3 LYS 52 HE1 LYS 52 18.796 -4.008 -9.432 417 HZ1 LYS 52 HZ1 LYS 52 21.034 -3.880 -8.608 418 HZ2 LYS 52 HZ2 LYS 52 20.824 -5.205 -7.634 419 HZ3 LYS 52 HZ3 LYS 52 20.018 -3.768 -7.260 420 H ALA 53 HN ALA 53 13.219 -4.929 -6.270 421 HA ALA 53 HA ALA 53 11.898 -7.476 -5.808 422 HB1 ALA 53 HB1 ALA 53 12.648 -6.168 -3.870 423 HB2 ALA 53 HB2 ALA 53 10.896 -6.372 -3.870 424 HB3 ALA 53 HB3 ALA 53 11.603 -4.837 -4.372 425 H GLY 54 HN GLY 54 9.863 -7.929 -6.473 426 HA2 GLY 54 HA3 GLY 54 8.513 -5.860 -7.995 427 HA3 GLY 54 HA2 GLY 54 8.269 -7.599 -8.145 428 HA PRO 55 HA PRO 55 4.697 -5.574 -5.860 429 HB2 PRO 55 HB2 PRO 55 3.465 -7.997 -7.072 430 HB3 PRO 55 HB1 PRO 55 2.842 -6.346 -6.979 431 HG2 PRO 55 HG2 PRO 55 3.829 -7.265 -9.263 432 HG3 PRO 55 HG1 PRO 55 4.170 -5.607 -8.741 433 HD2 PRO 55 HD2 PRO 55 5.993 -7.996 -8.660 434 HD3 PRO 55 HD1 PRO 55 6.344 -6.301 -8.999 435 H LEU 56 HN LEU 56 5.452 -9.028 -6.036 436 HA LEU 56 HA LEU 56 4.082 -9.627 -3.556 437 HB2 LEU 56 HB2 LEU 56 5.967 -11.309 -5.221 438 HB3 LEU 56 HB1 LEU 56 5.284 -11.864 -3.717 439 HG LEU 56 HG LEU 56 3.008 -11.658 -4.736 440 HD11 LEU 56 HD11 LEU 56 3.457 -10.041 -6.466 441 HD12 LEU 56 HD12 LEU 56 2.808 -11.527 -7.165 442 HD13 LEU 56 HD13 LEU 56 4.531 -11.175 -7.282 443 HD21 LEU 56 HD21 LEU 56 3.204 -13.671 -6.108 444 HD22 LEU 56 HD22 LEU 56 4.139 -13.796 -4.619 445 HD23 LEU 56 HD23 LEU 56 4.954 -13.469 -6.150 446 H GLU 57 HN GLU 57 7.414 -9.257 -4.502 447 HA GLU 57 HA GLU 57 8.554 -9.812 -1.985 448 HB2 GLU 57 HB3 GLU 57 9.534 -8.149 -4.281 449 HB3 GLU 57 HB2 GLU 57 10.515 -8.587 -2.888 450 HG2 GLU 57 HG3 GLU 57 10.482 -10.849 -3.438 451 HG3 GLU 57 HG2 GLU 57 9.162 -10.641 -4.589 452 H MET 58 HN MET 58 7.455 -6.846 -3.484 453 HA MET 58 HA MET 58 8.227 -5.058 -1.441 454 HB2 MET 58 HB2 MET 58 6.032 -4.946 -3.489 455 HB3 MET 58 HB1 MET 58 6.386 -3.597 -2.423 456 HG2 MET 58 HG2 MET 58 8.496 -4.853 -4.074 457 HG3 MET 58 HG1 MET 58 7.459 -3.659 -4.851 458 HE1 MET 58 HE1 MET 58 9.180 -1.932 -5.479 459 HE2 MET 58 HE2 MET 58 10.369 -3.187 -5.149 460 HE3 MET 58 HE3 MET 58 10.619 -1.555 -4.535 461 H ALA 59 HN ALA 59 5.254 -6.891 -1.986 462 HA ALA 59 HA ALA 59 3.796 -5.854 0.165 463 HB1 ALA 59 HB1 ALA 59 2.414 -7.868 -0.030 464 HB2 ALA 59 HB2 ALA 59 3.659 -8.633 -1.015 465 HB3 ALA 59 HB3 ALA 59 2.799 -7.221 -1.625 466 H GLN 60 HN GLN 60 5.908 -8.660 -0.047 467 HA GLN 60 HA GLN 60 5.623 -9.418 2.664 468 HB2 GLN 60 HB2 GLN 60 7.865 -10.049 0.746 469 HB3 GLN 60 HB1 GLN 60 7.540 -10.860 2.277 470 HG2 GLN 60 HG2 GLN 60 5.406 -11.671 1.408 471 HG3 GLN 60 HG1 GLN 60 5.704 -10.813 -0.093 472 HE21 GLN 60 HE21 GLN 60 8.265 -12.457 1.624 473 HE22 GLN 60 HE22 GLN 60 8.508 -13.682 0.461 474 H LEU 61 HN LEU 61 7.776 -7.284 0.967 475 HA LEU 61 HA LEU 61 9.768 -6.804 2.864 476 HB2 LEU 61 HB2 LEU 61 9.568 -6.036 0.420 477 HB3 LEU 61 HB1 LEU 61 8.526 -4.769 1.020 478 HG LEU 61 HG LEU 61 10.458 -3.969 2.413 479 HD11 LEU 61 HD11 LEU 61 11.937 -5.895 0.655 480 HD12 LEU 61 HD12 LEU 61 11.752 -6.049 2.406 481 HD13 LEU 61 HD13 LEU 61 12.688 -4.711 1.721 482 HD21 LEU 61 HD21 LEU 61 10.792 -4.041 -0.582 483 HD22 LEU 61 HD22 LEU 61 11.572 -2.901 0.512 484 HD23 LEU 61 HD23 LEU 61 9.815 -2.888 0.330 485 H LEU 62 HN LEU 62 6.851 -4.898 2.120 486 HA LEU 62 HA LEU 62 6.939 -3.160 4.251 487 HB2 LEU 62 HB2 LEU 62 4.664 -4.178 2.587 488 HB3 LEU 62 HB1 LEU 62 4.386 -3.096 3.910 489 HG LEU 62 HG LEU 62 5.427 -1.230 2.729 490 HD11 LEU 62 HD11 LEU 62 7.371 -2.404 1.931 491 HD12 LEU 62 HD12 LEU 62 6.570 -1.441 0.675 492 HD13 LEU 62 HD13 LEU 62 6.370 -3.206 0.725 493 HD21 LEU 62 HD21 LEU 62 3.901 -2.939 0.818 494 HD22 LEU 62 HD22 LEU 62 4.149 -1.194 0.716 495 HD23 LEU 62 HD23 LEU 62 3.198 -1.877 2.037 496 H ILE 63 HN ILE 63 5.302 -6.295 3.957 497 HA ILE 63 HA ILE 63 4.001 -6.197 6.452 498 HB ILE 63 HB ILE 63 3.775 -7.852 4.320 499 HG12 ILE 63 HG12 ILE 63 2.135 -7.518 6.142 500 HG13 ILE 63 HG11 ILE 63 2.159 -9.161 5.532 501 HG21 ILE 63 HG21 ILE 63 5.223 -9.579 6.313 502 HG22 ILE 63 HG22 ILE 63 5.829 -9.088 4.738 503 HG23 ILE 63 HG23 ILE 63 4.417 -10.146 4.850 504 HD11 ILE 63 HD11 ILE 63 3.478 -9.835 7.505 505 HD12 ILE 63 HD12 ILE 63 1.917 -9.131 7.942 506 HD13 ILE 63 HD13 ILE 63 3.393 -8.175 8.098 507 H THR 64 HN THR 64 7.249 -7.118 5.627 508 HA THR 64 HA THR 64 7.791 -8.347 8.164 509 HB THR 64 HB THR 64 9.718 -7.419 6.009 510 HG1 THR 64 HG1 THR 64 8.362 -9.022 5.229 511 HG21 THR 64 HG21 THR 64 10.829 -7.712 8.194 512 HG22 THR 64 HG22 THR 64 11.316 -8.976 7.067 513 HG23 THR 64 HG23 THR 64 10.135 -9.329 8.326 514 H HIS 65 HN HIS 65 8.418 -5.196 6.689 515 HA HIS 65 HA HIS 65 9.894 -4.353 9.024 516 HB2 HIS 65 HB2 HIS 65 9.158 -2.759 6.561 517 HB3 HIS 65 HB1 HIS 65 10.159 -2.192 7.896 518 HD1 HIS 65 HD1 HIS 65 12.537 -3.375 8.165 519 HD2 HIS 65 HD2 HIS 65 10.430 -4.273 4.712 520 HE1 HIS 65 HE1 HIS 65 14.193 -4.476 6.604 521 H PHE 66 HN PHE 66 6.890 -3.290 7.469 522 HA PHE 66 HA PHE 66 6.210 -1.630 9.703 523 HB2 PHE 66 HB2 PHE 66 4.657 -2.375 7.221 524 HB3 PHE 66 HB1 PHE 66 4.208 -1.118 8.384 525 HD1 PHE 66 HD1 PHE 66 5.698 0.827 8.677 526 HD2 PHE 66 HD2 PHE 66 6.208 -1.994 5.567 527 HE1 PHE 66 HE1 PHE 66 7.139 2.416 7.484 528 HE2 PHE 66 HE2 PHE 66 7.640 -0.422 4.347 529 HZ PHE 66 HZ PHE 66 8.116 1.777 5.315 530 H GLY 67 HN GLY 67 4.434 -4.332 8.177 531 HA2 GLY 67 HA3 GLY 67 3.943 -6.080 10.063 532 HA3 GLY 67 HA2 GLY 67 3.031 -4.714 10.707 533 HA PRO 68 HA PRO 68 0.571 -7.297 7.577 534 HB2 PRO 68 HB2 PRO 68 -1.661 -7.581 9.171 535 HB3 PRO 68 HB1 PRO 68 -0.365 -8.771 9.039 536 HG2 PRO 68 HG2 PRO 68 -0.830 -6.702 11.142 537 HG3 PRO 68 HG1 PRO 68 -0.237 -8.363 11.313 538 HD2 PRO 68 HD2 PRO 68 1.404 -6.221 11.417 539 HD3 PRO 68 HD1 PRO 68 1.931 -7.772 10.737 540 H GLU 69 HN GLU 69 -1.128 -5.087 9.824 541 HA GLU 69 HA GLU 69 -2.709 -4.115 7.615 542 HB2 GLU 69 HB3 GLU 69 -2.640 -3.282 10.509 543 HB3 GLU 69 HB2 GLU 69 -3.792 -2.697 9.324 544 HG2 GLU 69 HG3 GLU 69 -4.647 -4.971 9.039 545 HG3 GLU 69 HG2 GLU 69 -3.492 -5.547 10.244 546 H GLU 70 HN GLU 70 0.051 -3.224 9.415 547 HA GLU 70 HA GLU 70 0.087 -0.457 8.821 548 HB2 GLU 70 HB3 GLU 70 1.437 -1.828 10.570 549 HB3 GLU 70 HB2 GLU 70 2.570 -2.092 9.256 550 HG2 GLU 70 HG3 GLU 70 3.313 -0.241 10.597 551 HG3 GLU 70 HG2 GLU 70 2.792 0.366 9.022 552 H ALA 71 HN ALA 71 1.549 -3.300 7.236 553 HA ALA 71 HA ALA 71 2.901 -2.063 5.122 554 HB1 ALA 71 HB1 ALA 71 1.412 -4.682 5.156 555 HB2 ALA 71 HB2 ALA 71 3.086 -4.434 5.643 556 HB3 ALA 71 HB3 ALA 71 2.612 -4.198 3.961 557 H TRP 72 HN TRP 72 -0.423 -3.283 5.270 558 HA TRP 72 HA TRP 72 -1.135 -2.511 2.682 559 HB2 TRP 72 HB2 TRP 72 -2.530 -4.122 3.774 560 HB3 TRP 72 HB1 TRP 72 -2.829 -3.040 5.129 561 HD1 TRP 72 HD1 TRP 72 -5.328 -2.463 5.026 562 HE1 TRP 72 HE1 TRP 72 -6.937 -1.583 3.237 563 HE3 TRP 72 HE3 TRP 72 -2.219 -2.624 1.015 564 HZ2 TRP 72 HZ2 TRP 72 -6.887 -1.039 0.478 565 HZ3 TRP 72 HZ3 TRP 72 -3.070 -1.918 -1.200 566 HH2 TRP 72 HH2 TRP 72 -5.362 -1.138 -1.453 567 H ARG 73 HN ARG 73 -1.558 -0.882 5.755 568 HA ARG 73 HA ARG 73 -2.878 1.353 4.901 569 HB2 ARG 73 HB2 ARG 73 -2.586 0.879 7.230 570 HB3 ARG 73 HB1 ARG 73 -0.840 0.997 7.096 571 HG2 ARG 73 HG2 ARG 73 -1.143 3.426 6.584 572 HG3 ARG 73 HG1 ARG 73 -2.861 3.222 6.955 573 HD2 ARG 73 HD2 ARG 73 -2.285 2.410 9.183 574 HD3 ARG 73 HD1 ARG 73 -0.573 2.610 8.817 575 HE ARG 73 HE ARG 73 -2.143 4.981 8.509 576 HH11 ARG 73 HH11 ARG 73 0.001 3.119 10.630 577 HH12 ARG 73 HH12 ARG 73 0.074 4.321 11.837 578 HH21 ARG 73 HH21 ARG 73 -1.973 6.670 10.155 579 HH22 ARG 73 HH22 ARG 73 -1.058 6.362 11.564 580 H LEU 74 HN LEU 74 0.585 0.798 5.260 581 HA LEU 74 HA LEU 74 1.571 3.213 4.377 582 HB2 LEU 74 HB2 LEU 74 2.612 0.499 4.702 583 HB3 LEU 74 HB1 LEU 74 3.463 1.453 3.512 584 HG LEU 74 HG LEU 74 4.502 1.496 5.770 585 HD11 LEU 74 HD11 LEU 74 4.920 3.260 4.213 586 HD12 LEU 74 HD12 LEU 74 4.868 3.889 5.853 587 HD13 LEU 74 HD13 LEU 74 3.497 4.146 4.762 588 HD21 LEU 74 HD21 LEU 74 3.486 2.815 7.544 589 HD22 LEU 74 HD22 LEU 74 2.455 1.443 7.127 590 HD23 LEU 74 HD23 LEU 74 2.043 3.062 6.563 591 H ALA 75 HN ALA 75 0.830 0.335 2.418 592 HA ALA 75 HA ALA 75 1.817 1.472 0.020 593 HB1 ALA 75 HB1 ALA 75 0.604 -0.253 -1.150 594 HB2 ALA 75 HB2 ALA 75 -0.227 -0.702 0.345 595 HB3 ALA 75 HB3 ALA 75 1.527 -0.901 0.198 596 H LEU 76 HN LEU 76 -1.529 1.247 1.274 597 HA LEU 76 HA LEU 76 -2.588 2.548 -0.999 598 HB2 LEU 76 HB2 LEU 76 -4.700 2.629 0.110 599 HB3 LEU 76 HB1 LEU 76 -3.949 1.131 0.574 600 HG LEU 76 HG LEU 76 -3.264 2.527 2.724 601 HD11 LEU 76 HD11 LEU 76 -5.035 4.108 3.374 602 HD12 LEU 76 HD12 LEU 76 -5.730 3.971 1.754 603 HD13 LEU 76 HD13 LEU 76 -4.125 4.660 1.966 604 HD21 LEU 76 HD21 LEU 76 -5.346 1.752 3.804 605 HD22 LEU 76 HD22 LEU 76 -4.596 0.534 2.777 606 HD23 LEU 76 HD23 LEU 76 -6.013 1.405 2.201 607 H SER 77 HN SER 77 -1.425 3.693 2.053 608 HA SER 77 HA SER 77 -2.184 6.401 1.617 609 HB2 SER 77 HB2 SER 77 -0.559 4.922 3.614 610 HB3 SER 77 HB1 SER 77 -0.793 6.702 3.760 611 HG SER 77 HG SER 77 -2.431 4.488 4.059 612 H THR 78 HN THR 78 0.087 4.602 0.147 613 HA THR 78 HA THR 78 1.761 6.941 -0.294 614 HB THR 78 HB THR 78 2.405 4.008 -0.786 615 HG1 THR 78 HG1 THR 78 2.618 4.462 1.334 616 HG21 THR 78 HG21 THR 78 4.677 4.809 -1.335 617 HG22 THR 78 HG22 THR 78 4.099 6.474 -1.213 618 HG23 THR 78 HG23 THR 78 3.478 5.417 -2.481 619 H PHE 79 HN PHE 79 -0.432 4.628 -1.727 620 HA PHE 79 HA PHE 79 -0.020 5.005 -4.435 621 HB2 PHE 79 HB2 PHE 79 -2.632 4.654 -2.944 622 HB3 PHE 79 HB1 PHE 79 -2.528 4.623 -4.701 623 HD1 PHE 79 HD1 PHE 79 0.238 2.992 -4.433 624 HD2 PHE 79 HD2 PHE 79 -3.718 2.541 -2.939 625 HE1 PHE 79 HE1 PHE 79 0.563 0.574 -4.292 626 HE2 PHE 79 HE2 PHE 79 -3.390 0.114 -2.787 627 HZ PHE 79 HZ PHE 79 -1.242 -0.876 -3.465 628 H GLU 80 HN GLU 80 -2.185 6.804 -2.300 629 HA GLU 80 HA GLU 80 -3.109 8.786 -4.001 630 HB2 GLU 80 HB3 GLU 80 -3.324 10.149 -1.840 631 HB3 GLU 80 HB2 GLU 80 -4.112 8.573 -1.857 632 HG2 GLU 80 HG3 GLU 80 -2.376 7.588 -0.662 633 HG3 GLU 80 HG2 GLU 80 -1.372 9.039 -0.785 634 H ARG 81 HN ARG 81 -0.060 8.562 -2.346 635 HA ARG 81 HA ARG 81 0.721 11.310 -2.621 636 HB2 ARG 81 HB2 ARG 81 2.458 8.941 -1.994 637 HB3 ARG 81 HB1 ARG 81 2.791 10.631 -1.638 638 HG2 ARG 81 HG2 ARG 81 0.550 9.021 -0.449 639 HG3 ARG 81 HG1 ARG 81 2.110 9.356 0.291 640 HD2 ARG 81 HD2 ARG 81 1.667 11.596 0.569 641 HD3 ARG 81 HD1 ARG 81 0.347 11.592 -0.610 642 HE ARG 81 HE ARG 81 -1.083 10.701 0.975 643 HH11 ARG 81 HH11 ARG 81 2.139 10.987 2.426 644 HH12 ARG 81 HH12 ARG 81 1.611 10.695 4.010 645 HH21 ARG 81 HH21 ARG 81 -1.813 10.342 3.032 646 HH22 ARG 81 HH22 ARG 81 -0.742 10.339 4.380 647 H ILE 82 HN ILE 82 1.381 8.263 -4.232 648 HA ILE 82 HA ILE 82 3.330 9.487 -5.986 649 HB ILE 82 HB ILE 82 3.739 7.241 -6.865 650 HG12 ILE 82 HG12 ILE 82 1.614 6.274 -4.939 651 HG13 ILE 82 HG11 ILE 82 1.355 6.410 -6.684 652 HG21 ILE 82 HG21 ILE 82 4.571 6.215 -4.791 653 HG22 ILE 82 HG22 ILE 82 3.562 7.322 -3.855 654 HG23 ILE 82 HG23 ILE 82 4.881 7.953 -4.833 655 HD11 ILE 82 HD11 ILE 82 3.325 4.627 -5.271 656 HD12 ILE 82 HD12 ILE 82 3.128 4.747 -7.017 657 HD13 ILE 82 HD13 ILE 82 1.810 4.125 -6.022 658 H ASN 83 HN ASN 83 0.411 10.083 -6.039 659 HA ASN 83 HA ASN 83 -1.091 10.833 -7.507 660 HB2 ASN 83 HB3 ASN 83 0.999 10.193 -9.600 661 HB3 ASN 83 HB2 ASN 83 -0.508 11.053 -9.896 662 HD21 ASN 83 HD21 ASN 83 -0.421 12.594 -7.394 663 HD22 ASN 83 HD22 ASN 83 0.825 13.743 -7.621 664 H ARG 84 HN ARG 84 -0.910 8.072 -6.713 665 HA ARG 84 HA ARG 84 -2.574 7.008 -8.824 666 HB2 ARG 84 HB2 ARG 84 -0.627 5.665 -8.465 667 HB3 ARG 84 HB1 ARG 84 -0.904 5.597 -6.737 668 HG2 ARG 84 HG2 ARG 84 -1.562 3.485 -7.719 669 HG3 ARG 84 HG1 ARG 84 -2.978 4.334 -7.105 670 HD2 ARG 84 HD2 ARG 84 -3.705 3.577 -9.123 671 HD3 ARG 84 HD1 ARG 84 -3.208 5.214 -9.474 672 HE ARG 84 HE ARG 84 -0.973 4.070 -10.163 673 HH11 ARG 84 HH11 ARG 84 -4.294 2.808 -10.923 674 HH12 ARG 84 HH12 ARG 84 -3.702 1.874 -12.198 675 HH21 ARG 84 HH21 ARG 84 -0.289 2.688 -11.881 676 HH22 ARG 84 HH22 ARG 84 -1.432 1.768 -12.758 677 H LYS 85 HN LYS 85 -4.156 8.466 -7.845 678 HA LYS 85 HA LYS 85 -5.173 7.750 -5.256 679 HB2 LYS 85 HB2 LYS 85 -5.147 10.046 -5.785 680 HB3 LYS 85 HB1 LYS 85 -5.980 9.818 -7.321 681 HG2 LYS 85 HG2 LYS 85 -8.036 9.296 -6.087 682 HG3 LYS 85 HG1 LYS 85 -7.141 9.449 -4.568 683 HD2 LYS 85 HD2 LYS 85 -6.715 11.777 -4.981 684 HD3 LYS 85 HD1 LYS 85 -7.446 11.673 -6.581 685 HE2 LYS 85 HE2 LYS 85 -8.909 11.160 -3.990 686 HE3 LYS 85 HE1 LYS 85 -8.912 12.699 -4.845 687 HZ1 LYS 85 HZ1 LYS 85 -9.921 11.590 -6.741 688 HZ2 LYS 85 HZ2 LYS 85 -10.873 11.417 -5.386 689 HZ3 LYS 85 HZ3 LYS 85 -9.965 10.114 -5.936 690 H ASP 86 HN ASP 86 -5.555 7.008 -8.478 691 HA ASP 86 HA ASP 86 -8.028 5.953 -8.891 692 HB2 ASP 86 HB2 ASP 86 -6.533 6.084 -10.689 693 HB3 ASP 86 HB1 ASP 86 -5.282 5.207 -9.823 694 H LEU 87 HN LEU 87 -5.195 4.169 -7.663 695 HA LEU 87 HA LEU 87 -6.866 1.908 -6.964 696 HB2 LEU 87 HB2 LEU 87 -3.916 2.379 -6.532 697 HB3 LEU 87 HB1 LEU 87 -4.742 0.929 -6.027 698 HG LEU 87 HG LEU 87 -4.464 1.840 -8.898 699 HD11 LEU 87 HD11 LEU 87 -3.015 -0.316 -7.374 700 HD12 LEU 87 HD12 LEU 87 -2.326 1.216 -7.903 701 HD13 LEU 87 HD13 LEU 87 -2.858 0.031 -9.099 702 HD21 LEU 87 HD21 LEU 87 -6.443 0.502 -8.550 703 HD22 LEU 87 HD22 LEU 87 -5.507 -0.714 -7.686 704 HD23 LEU 87 HD23 LEU 87 -5.223 -0.434 -9.408 705 H TRP 88 HN TRP 88 -5.742 4.706 -5.475 706 HA TRP 88 HA TRP 88 -5.586 3.887 -2.783 707 HB2 TRP 88 HB2 TRP 88 -4.608 5.938 -3.585 708 HB3 TRP 88 HB1 TRP 88 -6.160 6.555 -4.057 709 HD1 TRP 88 HD1 TRP 88 -4.406 5.500 -0.803 710 HE1 TRP 88 HE1 TRP 88 -5.223 7.017 1.095 711 HE3 TRP 88 HE3 TRP 88 -7.905 8.147 -3.354 712 HZ2 TRP 88 HZ2 TRP 88 -7.132 9.048 1.476 713 HZ3 TRP 88 HZ3 TRP 88 -9.198 9.867 -2.159 714 HH2 TRP 88 HH2 TRP 88 -8.816 10.303 0.209 715 H GLU 89 HN GLU 89 -8.204 5.403 -4.626 716 HA GLU 89 HA GLU 89 -10.100 5.313 -2.539 717 HB2 GLU 89 HB3 GLU 89 -10.498 5.466 -5.522 718 HB3 GLU 89 HB2 GLU 89 -11.765 5.727 -4.325 719 HG2 GLU 89 HG3 GLU 89 -10.477 7.602 -3.402 720 HG3 GLU 89 HG2 GLU 89 -9.242 7.318 -4.622 721 H ARG 90 HN ARG 90 -9.015 2.983 -4.724 722 HA ARG 90 HA ARG 90 -11.223 1.151 -4.362 723 HB2 ARG 90 HB2 ARG 90 -8.468 0.670 -5.520 724 HB3 ARG 90 HB1 ARG 90 -9.804 -0.475 -5.576 725 HG2 ARG 90 HG2 ARG 90 -11.089 1.129 -6.920 726 HG3 ARG 90 HG1 ARG 90 -9.725 2.235 -6.873 727 HD2 ARG 90 HD2 ARG 90 -8.348 0.611 -8.044 728 HD3 ARG 90 HD1 ARG 90 -9.689 -0.535 -8.072 729 HE ARG 90 HE ARG 90 -10.780 1.576 -9.233 730 HH11 ARG 90 HH11 ARG 90 -7.725 -0.095 -9.918 731 HH12 ARG 90 HH12 ARG 90 -7.674 0.409 -11.539 732 HH21 ARG 90 HH21 ARG 90 -10.702 2.214 -11.477 733 HH22 ARG 90 HH22 ARG 90 -9.381 1.732 -12.438 734 H GLY 91 HN GLY 91 -8.185 1.846 -2.873 735 HA2 GLY 91 HA3 GLY 91 -7.994 -0.591 -1.351 736 HA3 GLY 91 HA2 GLY 91 -6.988 0.835 -1.219 737 H GLN 92 HN GLN 92 -9.285 2.599 -0.885 738 HA GLN 92 HA GLN 92 -9.436 2.660 1.922 739 HB2 GLN 92 HB2 GLN 92 -11.369 3.871 -0.055 740 HB3 GLN 92 HB1 GLN 92 -11.274 4.265 1.648 741 HG2 GLN 92 HG2 GLN 92 -9.000 5.139 1.290 742 HG3 GLN 92 HG1 GLN 92 -9.168 4.788 -0.431 743 HE21 GLN 92 HE21 GLN 92 -10.235 6.781 2.185 744 HE22 GLN 92 HE22 GLN 92 -10.977 8.006 1.213 745 H ARG 93 HN ARG 93 -10.290 1.233 3.169 746 HA ARG 93 HA ARG 93 -12.486 -0.375 2.292 747 HB2 ARG 93 HB2 ARG 93 -10.658 -1.163 3.848 748 HB3 ARG 93 HB1 ARG 93 -11.363 -0.136 5.092 749 HG2 ARG 93 HG2 ARG 93 -12.096 -2.417 5.403 750 HG3 ARG 93 HG1 ARG 93 -13.441 -1.382 4.893 751 HD2 ARG 93 HD2 ARG 93 -13.315 -2.162 2.658 752 HD3 ARG 93 HD1 ARG 93 -11.829 -3.040 2.984 753 HE ARG 93 HE ARG 93 -13.302 -4.340 4.608 754 HH11 ARG 93 HH11 ARG 93 -14.644 -2.939 1.626 755 HH12 ARG 93 HH12 ARG 93 -15.632 -4.274 1.292 756 HH21 ARG 93 HH21 ARG 93 -14.733 -6.180 4.119 757 HH22 ARG 93 HH22 ARG 93 -15.709 -6.113 2.719 758 H GLU 94 HN GLU 94 -11.906 2.412 4.239 759 HA GLU 94 HA GLU 94 -14.768 2.711 4.691 760 HB2 GLU 94 HB3 GLU 94 -12.451 4.322 5.796 761 HB3 GLU 94 HB2 GLU 94 -14.146 4.534 6.223 762 HG2 GLU 94 HG3 GLU 94 -14.230 2.411 7.262 763 HG3 GLU 94 HG2 GLU 94 -12.635 1.995 6.642 764 H ASP 95 HN ASP 95 -15.453 3.386 2.737 765 HA ASP 95 HA ASP 95 -14.010 5.023 0.941 766 HB2 ASP 95 HB2 ASP 95 -15.694 3.450 0.151 767 HB3 ASP 95 HB1 ASP 95 -16.941 4.327 1.019 768 H LEU 96 HN LEU 96 -16.436 5.601 3.050 769 HA LEU 96 HA LEU 96 -16.551 8.513 2.528 770 HB2 LEU 96 HB2 LEU 96 -18.552 8.644 3.764 771 HB3 LEU 96 HB1 LEU 96 -18.673 7.174 2.834 772 HG LEU 96 HG LEU 96 -17.974 7.324 5.751 773 HD11 LEU 96 HD11 LEU 96 -20.250 6.423 6.115 774 HD12 LEU 96 HD12 LEU 96 -20.561 6.590 4.387 775 HD13 LEU 96 HD13 LEU 96 -20.261 8.024 5.375 776 HD21 LEU 96 HD21 LEU 96 -18.626 4.938 4.014 777 HD22 LEU 96 HD22 LEU 96 -18.457 4.885 5.768 778 HD23 LEU 96 HD23 LEU 96 -17.068 5.299 4.764 779 H VAL 97 HN VAL 97 -14.772 6.541 4.320 780 HA VAL 97 HA VAL 97 -13.450 6.616 6.085 781 HB VAL 97 HB VAL 97 -13.885 9.608 5.963 782 HG11 VAL 97 HG11 VAL 97 -11.743 9.782 7.212 783 HG12 VAL 97 HG12 VAL 97 -11.723 8.028 7.385 784 HG13 VAL 97 HG13 VAL 97 -12.997 8.976 8.151 785 HG21 VAL 97 HG21 VAL 97 -12.947 8.699 3.911 786 HG22 VAL 97 HG22 VAL 97 -11.666 7.907 4.829 787 HG23 VAL 97 HG23 VAL 97 -11.743 9.668 4.763 788 H ARG 98 HN ARG 98 -15.604 9.273 7.129 789 HA ARG 98 HA ARG 98 -16.763 7.586 9.183 790 HB2 ARG 98 HB2 ARG 98 -15.016 9.966 9.823 791 HB3 ARG 98 HB1 ARG 98 -16.162 9.274 10.947 792 HG2 ARG 98 HG2 ARG 98 -14.904 7.218 11.023 793 HG3 ARG 98 HG1 ARG 98 -13.811 7.804 9.769 794 HD2 ARG 98 HD2 ARG 98 -13.101 9.625 11.225 795 HD3 ARG 98 HD1 ARG 98 -14.207 9.062 12.477 796 HE ARG 98 HE ARG 98 -12.793 6.911 12.169 797 HH11 ARG 98 HH11 ARG 98 -11.548 10.234 12.087 798 HH12 ARG 98 HH12 ARG 98 -10.089 9.844 12.864 799 HH21 ARG 98 HH21 ARG 98 -10.751 6.408 13.259 800 HH22 ARG 98 HH22 ARG 98 -9.634 7.673 13.537 801 H ASP 99 HN ASP 99 -18.470 8.728 10.306 802 HA ASP 99 HA ASP 99 -20.131 10.171 10.702 803 HB2 ASP 99 HB2 ASP 99 -18.006 11.756 10.641 804 HB3 ASP 99 HB1 ASP 99 -18.796 12.385 9.201 805 H THR 100 HN THR 100 -21.396 12.053 9.450 806 HA THR 100 HA THR 100 -22.087 11.102 6.765 807 HB THR 100 HB THR 100 -24.010 12.052 8.924 808 HG1 THR 100 HG1 THR 100 -23.555 10.018 9.441 809 HG21 THR 100 HG21 THR 100 -24.750 12.648 6.642 810 HG22 THR 100 HG22 THR 100 -25.783 11.401 7.344 811 HG23 THR 100 HG23 THR 100 -24.562 10.966 6.148 812 H VAL 101 HN VAL 101 -21.660 13.774 9.048 813 HA VAL 101 HA VAL 101 -22.206 15.612 6.854 814 HB VAL 101 HB VAL 101 -22.536 17.389 8.555 815 HG11 VAL 101 HG11 VAL 101 -24.471 16.217 7.688 816 HG12 VAL 101 HG12 VAL 101 -24.715 16.629 9.385 817 HG13 VAL 101 HG13 VAL 101 -24.301 14.977 8.930 818 HG21 VAL 101 HG21 VAL 101 -22.829 16.776 10.919 819 HG22 VAL 101 HG22 VAL 101 -21.180 16.478 10.362 820 HG23 VAL 101 HG23 VAL 101 -22.304 15.133 10.549 821 H GLU 102 HN GLU 102 -20.856 17.593 6.868 822 HA GLU 102 HA GLU 102 -18.176 17.030 7.855 823 HB2 GLU 102 HB3 GLU 102 -18.443 16.462 5.394 824 HB3 GLU 102 HB2 GLU 102 -18.785 18.165 5.121 825 HG2 GLU 102 HG3 GLU 102 -16.488 17.676 4.567 826 HG3 GLU 102 HG2 GLU 102 -16.564 18.744 5.966 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 -11.105 -31.925 2.655 2 H2 GLY 1 HT2 GLY 1 -9.531 -31.701 2.134 3 H3 GLY 1 HT3 GLY 1 -10.808 -30.913 1.326 4 HA2 GLY 1 HA2 GLY 1 -9.616 -29.385 2.739 5 HA3 GLY 1 HA3 GLY 1 -11.254 -29.637 3.338 6 H HIS 2 HN HIS 2 -10.368 -28.909 5.411 7 HA HIS 2 HA HIS 2 -9.803 -29.238 7.524 8 HB2 HIS 2 HB2 HIS 2 -10.921 -31.482 7.319 9 HB3 HIS 2 HB1 HIS 2 -9.392 -32.176 6.813 10 HD1 HIS 2 HD1 HIS 2 -11.388 -31.350 9.810 11 HD2 HIS 2 HD2 HIS 2 -7.452 -32.336 8.924 12 HE1 HIS 2 HE1 HIS 2 -10.332 -32.013 11.986 13 H MET 3 HN MET 3 -7.654 -31.499 5.860 14 HA MET 3 HA MET 3 -5.437 -29.769 6.625 15 HB2 MET 3 HB2 MET 3 -5.627 -32.744 6.674 16 HB3 MET 3 HB1 MET 3 -4.079 -32.025 6.260 17 HG2 MET 3 HG2 MET 3 -5.632 -31.476 8.782 18 HG3 MET 3 HG1 MET 3 -4.242 -32.554 8.647 19 HE1 MET 3 HE1 MET 3 -2.979 -31.271 10.601 20 HE2 MET 3 HE2 MET 3 -4.394 -30.234 10.784 21 HE3 MET 3 HE3 MET 3 -2.786 -29.519 10.650 22 H LEU 4 HN LEU 4 -5.247 -28.605 4.936 23 HA LEU 4 HA LEU 4 -4.628 -29.956 2.418 24 HB2 LEU 4 HB2 LEU 4 -5.693 -28.129 1.163 25 HB3 LEU 4 HB1 LEU 4 -6.840 -29.007 2.143 26 HG LEU 4 HG LEU 4 -5.695 -26.337 3.015 27 HD11 LEU 4 HD11 LEU 4 -8.198 -26.907 1.447 28 HD12 LEU 4 HD12 LEU 4 -6.767 -26.074 0.842 29 HD13 LEU 4 HD13 LEU 4 -7.746 -25.345 2.121 30 HD21 LEU 4 HD21 LEU 4 -7.708 -26.231 4.387 31 HD22 LEU 4 HD22 LEU 4 -6.825 -27.718 4.747 32 HD23 LEU 4 HD23 LEU 4 -8.260 -27.770 3.733 33 H ARG 5 HN ARG 5 -3.461 -28.329 4.850 34 HA ARG 5 HA ARG 5 -1.674 -27.080 5.354 35 HB2 ARG 5 HB2 ARG 5 -0.580 -28.859 4.000 36 HB3 ARG 5 HB1 ARG 5 -0.710 -27.820 2.593 37 HG2 ARG 5 HG2 ARG 5 0.734 -26.179 3.716 38 HG3 ARG 5 HG1 ARG 5 0.882 -27.282 5.084 39 HD2 ARG 5 HD2 ARG 5 1.749 -27.799 2.251 40 HD3 ARG 5 HD1 ARG 5 2.797 -27.536 3.642 41 HE ARG 5 HE ARG 5 1.305 -29.659 4.376 42 HH11 ARG 5 HH11 ARG 5 3.332 -28.997 1.537 43 HH12 ARG 5 HH12 ARG 5 3.685 -30.645 1.248 44 HH21 ARG 5 HH21 ARG 5 1.796 -31.927 3.936 45 HH22 ARG 5 HH22 ARG 5 2.816 -32.315 2.620 46 H THR 6 HN THR 6 -2.745 -25.139 5.480 47 HA THR 6 HA THR 6 -2.463 -23.431 3.135 48 HB THR 6 HB THR 6 -4.819 -24.103 3.350 49 HG1 THR 6 HG1 THR 6 -5.605 -22.156 3.087 50 HG21 THR 6 HG21 THR 6 -6.162 -23.419 5.292 51 HG22 THR 6 HG22 THR 6 -4.707 -22.819 6.086 52 HG23 THR 6 HG23 THR 6 -4.886 -24.543 5.766 53 H ALA 7 HN ALA 7 -2.526 -21.189 3.644 54 HA ALA 7 HA ALA 7 -1.976 -20.276 6.329 55 HB1 ALA 7 HB1 ALA 7 0.276 -20.808 5.478 56 HB2 ALA 7 HB2 ALA 7 0.058 -19.059 5.548 57 HB3 ALA 7 HB3 ALA 7 -0.054 -19.900 4.002 58 H GLY 8 HN GLY 8 -4.081 -20.220 4.417 59 HA2 GLY 8 HA3 GLY 8 -4.085 -17.869 2.838 60 HA3 GLY 8 HA2 GLY 8 -5.475 -18.866 3.224 61 H ARG 9 HN ARG 9 -3.665 -16.098 4.008 62 HA ARG 9 HA ARG 9 -5.875 -15.099 5.600 63 HB2 ARG 9 HB2 ARG 9 -3.920 -13.842 6.945 64 HB3 ARG 9 HB1 ARG 9 -4.515 -15.415 7.442 65 HG2 ARG 9 HG2 ARG 9 -2.129 -15.460 7.552 66 HG3 ARG 9 HG1 ARG 9 -2.636 -16.458 6.201 67 HD2 ARG 9 HD2 ARG 9 -2.261 -14.171 4.890 68 HD3 ARG 9 HD1 ARG 9 -1.141 -13.903 6.232 69 HE ARG 9 HE ARG 9 -0.981 -16.462 4.957 70 HH11 ARG 9 HH11 ARG 9 0.417 -13.224 5.191 71 HH12 ARG 9 HH12 ARG 9 1.819 -13.622 4.291 72 HH21 ARG 9 HH21 ARG 9 0.934 -16.977 3.673 73 HH22 ARG 9 HH22 ARG 9 2.081 -15.757 3.376 74 H ASP 10 HN ASP 10 -6.296 -12.912 5.319 75 HA ASP 10 HA ASP 10 -5.050 -11.932 2.886 76 HB2 ASP 10 HB2 ASP 10 -7.553 -11.996 2.971 77 HB3 ASP 10 HB1 ASP 10 -7.509 -10.807 4.269 78 H GLY 11 HN GLY 11 -4.706 -9.609 2.729 79 HA2 GLY 11 HA3 GLY 11 -3.991 -7.614 4.046 80 HA3 GLY 11 HA2 GLY 11 -3.127 -8.758 5.081 81 H LEU 12 HN LEU 12 -1.579 -10.154 4.050 82 HA LEU 12 HA LEU 12 0.396 -8.844 2.558 83 HB2 LEU 12 HB2 LEU 12 0.575 -10.907 4.038 84 HB3 LEU 12 HB1 LEU 12 -0.124 -11.816 2.740 85 HG LEU 12 HG LEU 12 2.351 -12.067 3.003 86 HD11 LEU 12 HD11 LEU 12 1.342 -12.656 0.878 87 HD12 LEU 12 HD12 LEU 12 2.926 -11.921 0.623 88 HD13 LEU 12 HD13 LEU 12 1.461 -10.982 0.340 89 HD21 LEU 12 HD21 LEU 12 3.800 -10.295 2.204 90 HD22 LEU 12 HD22 LEU 12 2.852 -9.779 3.602 91 HD23 LEU 12 HD23 LEU 12 2.403 -9.253 1.981 92 H CYS 13 HN CYS 13 -2.023 -11.190 1.670 93 HA CYS 13 HA CYS 13 -1.532 -11.541 -1.021 94 HB2 CYS 13 HB2 CYS 13 -4.064 -11.538 0.527 95 HB3 CYS 13 HB1 CYS 13 -3.854 -12.332 -1.049 96 HG CYS 13 HG CYS 13 -3.422 -13.573 1.947 97 H ARG 14 HN ARG 14 -3.615 -9.217 0.657 98 HA ARG 14 HA ARG 14 -4.836 -8.020 -1.560 99 HB2 ARG 14 HB2 ARG 14 -5.504 -7.869 0.863 100 HB3 ARG 14 HB1 ARG 14 -4.183 -6.736 1.082 101 HG2 ARG 14 HG2 ARG 14 -5.248 -5.242 -0.572 102 HG3 ARG 14 HG1 ARG 14 -6.603 -6.371 -0.663 103 HD2 ARG 14 HD2 ARG 14 -5.659 -4.855 1.761 104 HD3 ARG 14 HD1 ARG 14 -7.169 -4.614 0.883 105 HE ARG 14 HE ARG 14 -7.339 -7.190 1.634 106 HH11 ARG 14 HH11 ARG 14 -6.633 -4.257 3.502 107 HH12 ARG 14 HH12 ARG 14 -7.221 -4.896 4.959 108 HH21 ARG 14 HH21 ARG 14 -8.103 -8.027 3.560 109 HH22 ARG 14 HH22 ARG 14 -8.107 -7.103 5.013 110 H LEU 15 HN LEU 15 -1.896 -7.285 0.241 111 HA LEU 15 HA LEU 15 -1.107 -4.882 -0.901 112 HB2 LEU 15 HB2 LEU 15 0.541 -7.231 -0.081 113 HB3 LEU 15 HB1 LEU 15 1.213 -5.631 -0.418 114 HG LEU 15 HG LEU 15 -0.576 -6.471 1.850 115 HD11 LEU 15 HD11 LEU 15 2.233 -5.441 1.852 116 HD12 LEU 15 HD12 LEU 15 1.744 -7.116 2.095 117 HD13 LEU 15 HD13 LEU 15 1.280 -5.879 3.268 118 HD21 LEU 15 HD21 LEU 15 -1.224 -4.310 1.132 119 HD22 LEU 15 HD22 LEU 15 0.451 -3.747 1.132 120 HD23 LEU 15 HD23 LEU 15 -0.346 -4.176 2.658 121 H SER 16 HN SER 16 -0.357 -8.171 -1.905 122 HA SER 16 HA SER 16 1.208 -7.517 -4.118 123 HB2 SER 16 HB2 SER 16 1.188 -9.755 -3.064 124 HB3 SER 16 HB1 SER 16 -0.444 -10.017 -3.671 125 HG SER 16 HG SER 16 1.544 -10.802 -4.867 126 H THR 17 HN THR 17 -2.280 -8.223 -3.880 127 HA THR 17 HA THR 17 -2.856 -8.150 -6.609 128 HB THR 17 HB THR 17 -4.682 -7.468 -4.286 129 HG1 THR 17 HG1 THR 17 -3.747 -9.888 -5.409 130 HG21 THR 17 HG21 THR 17 -5.660 -6.986 -6.506 131 HG22 THR 17 HG22 THR 17 -6.463 -8.355 -5.737 132 HG23 THR 17 HG23 THR 17 -5.286 -8.632 -7.022 133 H TYR 18 HN TYR 18 -2.345 -5.539 -4.375 134 HA TYR 18 HA TYR 18 -3.425 -3.630 -6.290 135 HB2 TYR 18 HB2 TYR 18 -2.495 -3.335 -3.450 136 HB3 TYR 18 HB1 TYR 18 -2.743 -1.929 -4.481 137 HD1 TYR 18 HD2 TYR 18 -4.527 -5.016 -3.375 138 HD2 TYR 18 HD1 TYR 18 -4.828 -0.927 -4.492 139 HE1 TYR 18 HE2 TYR 18 -6.919 -5.053 -2.840 140 HE2 TYR 18 HE1 TYR 18 -7.210 -0.960 -3.944 141 HH TYR 18 HH TYR 18 -8.641 -3.479 -2.219 142 H LEU 19 HN LEU 19 -0.358 -4.523 -4.829 143 HA LEU 19 HA LEU 19 1.057 -2.423 -6.109 144 HB2 LEU 19 HB2 LEU 19 2.043 -4.933 -4.764 145 HB3 LEU 19 HB1 LEU 19 3.099 -3.679 -5.378 146 HG LEU 19 HG LEU 19 1.054 -3.272 -3.165 147 HD11 LEU 19 HD11 LEU 19 2.868 -4.716 -2.456 148 HD12 LEU 19 HD12 LEU 19 2.962 -3.128 -1.691 149 HD13 LEU 19 HD13 LEU 19 4.041 -3.527 -3.029 150 HD21 LEU 19 HD21 LEU 19 3.213 -1.443 -4.236 151 HD22 LEU 19 HD22 LEU 19 2.169 -1.115 -2.856 152 HD23 LEU 19 HD23 LEU 19 1.479 -1.233 -4.466 153 H GLU 20 HN GLU 20 0.054 -5.547 -7.170 154 HA GLU 20 HA GLU 20 1.923 -5.810 -9.301 155 HB2 GLU 20 HB3 GLU 20 0.369 -7.480 -10.233 156 HB3 GLU 20 HB2 GLU 20 0.642 -7.745 -8.516 157 HG2 GLU 20 HG3 GLU 20 -1.447 -6.780 -7.967 158 HG3 GLU 20 HG2 GLU 20 -1.719 -6.310 -9.645 159 H GLU 21 HN GLU 21 -0.771 -3.813 -8.801 160 HA GLU 21 HA GLU 21 -1.404 -3.364 -11.570 161 HB2 GLU 21 HB3 GLU 21 -2.194 -1.866 -9.073 162 HB3 GLU 21 HB2 GLU 21 -2.803 -1.521 -10.681 163 HG2 GLU 21 HG3 GLU 21 -3.143 -4.142 -9.259 164 HG3 GLU 21 HG2 GLU 21 -4.338 -2.848 -9.277 165 H LEU 22 HN LEU 22 1.068 -2.438 -9.534 166 HA LEU 22 HA LEU 22 1.374 0.198 -10.751 167 HB2 LEU 22 HB2 LEU 22 2.837 -1.063 -8.442 168 HB3 LEU 22 HB1 LEU 22 3.088 0.560 -9.025 169 HG LEU 22 HG LEU 22 0.653 -0.533 -7.649 170 HD11 LEU 22 HD11 LEU 22 2.487 0.008 -6.183 171 HD12 LEU 22 HD12 LEU 22 1.194 1.202 -6.009 172 HD13 LEU 22 HD13 LEU 22 2.642 1.598 -6.931 173 HD21 LEU 22 HD21 LEU 22 -0.057 0.978 -9.440 174 HD22 LEU 22 HD22 LEU 22 1.045 2.219 -8.834 175 HD23 LEU 22 HD23 LEU 22 -0.316 1.677 -7.849 176 H GLU 23 HN GLU 23 2.779 0.528 -12.272 177 HA GLU 23 HA GLU 23 4.566 -1.569 -13.102 178 HB2 GLU 23 HB3 GLU 23 5.088 -0.100 -15.012 179 HB3 GLU 23 HB2 GLU 23 3.353 -0.200 -14.715 180 HG2 GLU 23 HG3 GLU 23 3.302 1.940 -13.756 181 HG3 GLU 23 HG2 GLU 23 5.060 2.079 -13.842 182 H ALA 24 HN ALA 24 6.866 -0.505 -13.880 183 HA ALA 24 HA ALA 24 8.410 -0.430 -11.602 184 HB1 ALA 24 HB1 ALA 24 9.272 -0.970 -13.841 185 HB2 ALA 24 HB2 ALA 24 10.281 0.194 -12.990 186 HB3 ALA 24 HB3 ALA 24 9.202 0.740 -14.268 187 H VAL 25 HN VAL 25 7.451 2.397 -13.571 188 HA VAL 25 HA VAL 25 8.748 4.245 -11.888 189 HB VAL 25 HB VAL 25 8.101 4.949 -14.161 190 HG11 VAL 25 HG11 VAL 25 5.787 5.509 -14.705 191 HG12 VAL 25 HG12 VAL 25 5.278 4.825 -13.159 192 HG13 VAL 25 HG13 VAL 25 5.994 3.782 -14.395 193 HG21 VAL 25 HG21 VAL 25 6.673 6.550 -12.080 194 HG22 VAL 25 HG22 VAL 25 7.175 7.148 -13.666 195 HG23 VAL 25 HG23 VAL 25 8.393 6.691 -12.458 196 H GLU 26 HN GLU 26 5.554 2.832 -11.702 197 HA GLU 26 HA GLU 26 4.588 4.657 -9.752 198 HB2 GLU 26 HB3 GLU 26 3.681 1.857 -10.355 199 HB3 GLU 26 HB2 GLU 26 2.802 3.087 -9.425 200 HG2 GLU 26 HG3 GLU 26 3.595 3.303 -12.301 201 HG3 GLU 26 HG2 GLU 26 1.974 2.820 -11.768 202 H LEU 27 HN LEU 27 6.049 1.462 -9.620 203 HA LEU 27 HA LEU 27 6.009 1.228 -6.816 204 HB2 LEU 27 HB2 LEU 27 7.870 -0.014 -8.847 205 HB3 LEU 27 HB1 LEU 27 7.849 -0.452 -7.156 206 HG LEU 27 HG LEU 27 5.531 -0.833 -9.059 207 HD11 LEU 27 HD11 LEU 27 7.501 -2.825 -7.945 208 HD12 LEU 27 HD12 LEU 27 7.414 -2.278 -9.622 209 HD13 LEU 27 HD13 LEU 27 6.086 -3.207 -8.924 210 HD21 LEU 27 HD21 LEU 27 4.818 -0.536 -6.736 211 HD22 LEU 27 HD22 LEU 27 5.964 -1.773 -6.221 212 HD23 LEU 27 HD23 LEU 27 4.601 -2.210 -7.249 213 H LYS 28 HN LYS 28 8.313 2.571 -9.057 214 HA LYS 28 HA LYS 28 10.440 3.178 -7.391 215 HB2 LYS 28 HB2 LYS 28 10.457 3.355 -9.822 216 HB3 LYS 28 HB1 LYS 28 9.313 4.672 -9.750 217 HG2 LYS 28 HG2 LYS 28 10.997 6.081 -8.685 218 HG3 LYS 28 HG1 LYS 28 12.151 4.738 -8.755 219 HD2 LYS 28 HD2 LYS 28 11.981 4.677 -11.177 220 HD3 LYS 28 HD1 LYS 28 10.768 5.949 -11.147 221 HE2 LYS 28 HE2 LYS 28 12.913 6.845 -11.775 222 HE3 LYS 28 HE1 LYS 28 12.419 7.484 -10.209 223 HZ1 LYS 28 HZ1 LYS 28 14.336 5.252 -10.599 224 HZ2 LYS 28 HZ2 LYS 28 13.959 5.984 -9.138 225 HZ3 LYS 28 HZ3 LYS 28 14.768 6.844 -10.328 226 H LYS 29 HN LYS 29 7.559 5.092 -8.135 227 HA LYS 29 HA LYS 29 8.203 7.352 -6.555 228 HB2 LYS 29 HB2 LYS 29 5.532 6.287 -7.422 229 HB3 LYS 29 HB1 LYS 29 5.763 7.868 -6.699 230 HG2 LYS 29 HG2 LYS 29 7.212 8.489 -8.670 231 HG3 LYS 29 HG1 LYS 29 6.819 6.925 -9.365 232 HD2 LYS 29 HD2 LYS 29 4.745 9.001 -8.633 233 HD3 LYS 29 HD1 LYS 29 5.419 8.796 -10.251 234 HE2 LYS 29 HE2 LYS 29 4.574 6.542 -10.345 235 HE3 LYS 29 HE1 LYS 29 3.945 6.661 -8.701 236 HZ1 LYS 29 HZ1 LYS 29 2.375 8.340 -9.476 237 HZ2 LYS 29 HZ2 LYS 29 2.254 6.938 -10.443 238 HZ3 LYS 29 HZ3 LYS 29 3.043 8.289 -11.023 239 H PHE 30 HN PHE 30 6.137 4.564 -5.949 240 HA PHE 30 HA PHE 30 5.338 5.237 -3.353 241 HB2 PHE 30 HB2 PHE 30 3.928 3.604 -4.012 242 HB3 PHE 30 HB1 PHE 30 5.048 3.033 -5.223 243 HD1 PHE 30 HD1 PHE 30 6.496 1.190 -4.761 244 HD2 PHE 30 HD2 PHE 30 3.722 2.540 -1.842 245 HE1 PHE 30 HE1 PHE 30 6.748 -0.942 -3.547 246 HE2 PHE 30 HE2 PHE 30 3.968 0.422 -0.622 247 HZ PHE 30 HZ PHE 30 5.484 -1.325 -1.483 248 H LYS 31 HN LYS 31 8.080 3.456 -4.514 249 HA LYS 31 HA LYS 31 9.057 2.533 -2.039 250 HB2 LYS 31 HB2 LYS 31 9.681 1.517 -4.133 251 HB3 LYS 31 HB1 LYS 31 10.339 3.034 -4.707 252 HG2 LYS 31 HG2 LYS 31 12.185 2.858 -3.172 253 HG3 LYS 31 HG1 LYS 31 11.480 1.413 -2.440 254 HD2 LYS 31 HD2 LYS 31 13.227 0.776 -4.015 255 HD3 LYS 31 HD1 LYS 31 11.659 0.236 -4.597 256 HE2 LYS 31 HE2 LYS 31 12.861 1.108 -6.455 257 HE3 LYS 31 HE1 LYS 31 11.597 2.260 -6.071 258 HZ1 LYS 31 HZ1 LYS 31 13.661 3.425 -6.493 259 HZ2 LYS 31 HZ2 LYS 31 14.465 2.443 -5.401 260 HZ3 LYS 31 HZ3 LYS 31 13.350 3.558 -4.840 261 H LEU 32 HN LEU 32 9.766 5.491 -3.921 262 HA LEU 32 HA LEU 32 11.787 6.292 -2.091 263 HB2 LEU 32 HB2 LEU 32 11.880 8.408 -3.291 264 HB3 LEU 32 HB1 LEU 32 11.851 7.075 -4.412 265 HG LEU 32 HG LEU 32 9.286 7.653 -4.577 266 HD11 LEU 32 HD11 LEU 32 8.778 10.005 -4.335 267 HD12 LEU 32 HD12 LEU 32 10.361 10.277 -3.608 268 HD13 LEU 32 HD13 LEU 32 9.180 9.254 -2.791 269 HD21 LEU 32 HD21 LEU 32 10.850 7.816 -6.424 270 HD22 LEU 32 HD22 LEU 32 11.437 9.362 -5.812 271 HD23 LEU 32 HD23 LEU 32 9.781 9.220 -6.406 272 H TYR 33 HN TYR 33 8.388 6.557 -2.109 273 HA TYR 33 HA TYR 33 8.336 8.779 -0.357 274 HB2 TYR 33 HB2 TYR 33 6.441 8.347 -1.871 275 HB3 TYR 33 HB1 TYR 33 6.090 6.856 -1.002 276 HD1 TYR 33 HD1 TYR 33 6.006 10.510 -0.828 277 HD2 TYR 33 HD2 TYR 33 5.037 6.903 1.191 278 HE1 TYR 33 HE1 TYR 33 4.677 11.784 0.804 279 HE2 TYR 33 HE2 TYR 33 3.705 8.134 2.817 280 HH TYR 33 HH TYR 33 3.855 10.608 3.693 281 H LEU 34 HN LEU 34 8.517 5.324 0.105 282 HA LEU 34 HA LEU 34 8.160 5.876 2.968 283 HB2 LEU 34 HB2 LEU 34 7.215 3.604 3.254 284 HB3 LEU 34 HB1 LEU 34 6.278 4.704 2.272 285 HG LEU 34 HG LEU 34 7.168 3.517 0.240 286 HD11 LEU 34 HD11 LEU 34 9.076 2.369 1.204 287 HD12 LEU 34 HD12 LEU 34 7.931 1.213 0.518 288 HD13 LEU 34 HD13 LEU 34 8.005 1.454 2.264 289 HD21 LEU 34 HD21 LEU 34 5.488 1.945 2.173 290 HD22 LEU 34 HD22 LEU 34 5.539 1.743 0.420 291 HD23 LEU 34 HD23 LEU 34 4.929 3.244 1.123 292 H GLY 35 HN GLY 35 10.305 4.403 0.722 293 HA2 GLY 35 HA3 GLY 35 11.405 2.782 2.789 294 HA3 GLY 35 HA2 GLY 35 11.973 2.802 1.121 295 H THR 36 HN THR 36 12.477 5.592 0.962 296 HA THR 36 HA THR 36 14.824 5.796 2.732 297 HB THR 36 HB THR 36 15.466 5.395 0.390 298 HG1 THR 36 HG1 THR 36 15.855 8.102 1.054 299 HG21 THR 36 HG21 THR 36 13.855 7.864 -0.284 300 HG22 THR 36 HG22 THR 36 13.466 6.207 -0.743 301 HG23 THR 36 HG23 THR 36 14.896 6.994 -1.408 302 H ALA 37 HN ALA 37 12.050 6.714 3.044 303 HA ALA 37 HA ALA 37 11.939 9.537 2.576 304 HB1 ALA 37 HB1 ALA 37 9.968 8.187 2.423 305 HB2 ALA 37 HB2 ALA 37 9.799 9.394 3.707 306 HB3 ALA 37 HB3 ALA 37 10.164 7.710 4.103 307 H THR 38 HN THR 38 12.250 11.119 3.931 308 HA THR 38 HA THR 38 13.669 10.720 6.342 309 HB THR 38 HB THR 38 12.438 13.247 5.211 310 HG1 THR 38 HG1 THR 38 14.999 12.077 4.775 311 HG21 THR 38 HG21 THR 38 14.845 12.809 6.996 312 HG22 THR 38 HG22 THR 38 13.288 13.437 7.531 313 HG23 THR 38 HG23 THR 38 14.274 14.368 6.405 314 H GLU 39 HN GLU 39 10.411 11.177 5.445 315 HA GLU 39 HA GLU 39 9.485 11.973 8.051 316 HB2 GLU 39 HB3 GLU 39 7.197 11.737 7.169 317 HB3 GLU 39 HB2 GLU 39 8.213 12.746 6.159 318 HG2 GLU 39 HG3 GLU 39 8.459 10.900 4.585 319 HG3 GLU 39 HG2 GLU 39 7.443 9.887 5.614 320 H LEU 40 HN LEU 40 10.576 9.126 7.022 321 HA LEU 40 HA LEU 40 8.907 7.543 8.837 322 HB2 LEU 40 HB2 LEU 40 10.681 6.949 6.543 323 HB3 LEU 40 HB1 LEU 40 10.603 5.782 7.845 324 HG LEU 40 HG LEU 40 9.101 5.205 5.970 325 HD11 LEU 40 HD11 LEU 40 7.070 4.808 7.230 326 HD12 LEU 40 HD12 LEU 40 7.609 5.936 8.473 327 HD13 LEU 40 HD13 LEU 40 8.509 4.445 8.181 328 HD21 LEU 40 HD21 LEU 40 7.081 6.519 5.519 329 HD22 LEU 40 HD22 LEU 40 8.532 7.457 5.171 330 HD23 LEU 40 HD23 LEU 40 7.627 7.747 6.657 331 H GLY 41 HN GLY 41 11.168 9.535 9.155 332 HA2 GLY 41 HA3 GLY 41 12.486 9.843 11.122 333 HA3 GLY 41 HA2 GLY 41 12.659 8.088 11.242 334 H GLU 42 HN GLU 42 13.557 7.174 9.207 335 HA GLU 42 HA GLU 42 15.640 8.777 7.926 336 HB2 GLU 42 HB3 GLU 42 16.817 7.704 9.765 337 HB3 GLU 42 HB2 GLU 42 16.088 6.157 9.382 338 HG2 GLU 42 HG3 GLU 42 17.267 6.167 7.227 339 HG3 GLU 42 HG2 GLU 42 18.080 7.653 7.714 340 H GLY 43 HN GLY 43 14.073 5.658 8.270 341 HA2 GLY 43 HA3 GLY 43 12.797 5.260 6.026 342 HA3 GLY 43 HA2 GLY 43 14.465 5.037 5.481 343 H LYS 44 HN LYS 44 11.885 3.452 6.599 344 HA LYS 44 HA LYS 44 13.225 1.745 8.498 345 HB2 LYS 44 HB2 LYS 44 10.443 1.557 7.352 346 HB3 LYS 44 HB1 LYS 44 11.075 0.563 8.658 347 HG2 LYS 44 HG2 LYS 44 10.714 3.552 8.721 348 HG3 LYS 44 HG1 LYS 44 9.695 2.355 9.526 349 HD2 LYS 44 HD2 LYS 44 11.627 1.636 10.875 350 HD3 LYS 44 HD1 LYS 44 12.629 2.830 10.063 351 HE2 LYS 44 HE2 LYS 44 11.909 3.631 12.226 352 HE3 LYS 44 HE1 LYS 44 11.237 4.626 10.933 353 HZ1 LYS 44 HZ1 LYS 44 9.796 2.493 12.412 354 HZ2 LYS 44 HZ2 LYS 44 9.141 3.448 11.186 355 HZ3 LYS 44 HZ3 LYS 44 9.621 4.152 12.629 356 H ILE 45 HN ILE 45 13.187 1.823 5.238 357 HA ILE 45 HA ILE 45 13.218 -1.076 4.988 358 HB ILE 45 HB ILE 45 13.205 1.033 2.820 359 HG12 ILE 45 HG12 ILE 45 11.096 0.983 4.159 360 HG13 ILE 45 HG11 ILE 45 10.859 0.515 2.481 361 HG21 ILE 45 HG21 ILE 45 12.925 -1.958 2.753 362 HG22 ILE 45 HG22 ILE 45 14.199 -0.983 2.001 363 HG23 ILE 45 HG23 ILE 45 12.512 -0.885 1.432 364 HD11 ILE 45 HD11 ILE 45 9.569 -0.897 3.961 365 HD12 ILE 45 HD12 ILE 45 11.043 -1.351 4.835 366 HD13 ILE 45 HD13 ILE 45 10.843 -1.793 3.130 367 HA PRO 46 HA PRO 46 17.672 -0.825 4.930 368 HB2 PRO 46 HB2 PRO 46 18.154 -3.327 3.937 369 HB3 PRO 46 HB1 PRO 46 17.774 -2.989 5.628 370 HG2 PRO 46 HG2 PRO 46 15.980 -3.924 3.431 371 HG3 PRO 46 HG1 PRO 46 16.057 -4.481 5.117 372 HD2 PRO 46 HD2 PRO 46 14.164 -2.793 4.260 373 HD3 PRO 46 HD1 PRO 46 14.856 -2.660 5.889 374 H TRP 47 HN TRP 47 18.325 0.521 3.487 375 HA TRP 47 HA TRP 47 18.996 1.541 1.598 376 HB2 TRP 47 HB2 TRP 47 20.690 -0.937 1.612 377 HB3 TRP 47 HB1 TRP 47 21.111 0.649 0.972 378 HD1 TRP 47 HD1 TRP 47 21.549 2.623 2.768 379 HE1 TRP 47 HE1 TRP 47 22.265 2.522 5.241 380 HE3 TRP 47 HE3 TRP 47 20.503 -2.282 3.735 381 HZ2 TRP 47 HZ2 TRP 47 22.362 0.623 7.318 382 HZ3 TRP 47 HZ3 TRP 47 20.936 -3.162 5.989 383 HH2 TRP 47 HH2 TRP 47 21.848 -1.734 7.743 384 H GLY 48 HN GLY 48 19.003 -1.803 0.526 385 HA2 GLY 48 HA3 GLY 48 17.932 -0.847 -2.056 386 HA3 GLY 48 HA2 GLY 48 19.407 -1.794 -2.038 387 H SER 49 HN SER 49 17.079 -2.696 0.296 388 HA SER 49 HA SER 49 16.801 -5.276 -0.813 389 HB2 SER 49 HB2 SER 49 16.634 -4.762 1.611 390 HB3 SER 49 HB1 SER 49 15.114 -3.918 1.314 391 HG SER 49 HG SER 49 15.551 -6.619 0.622 392 H MET 50 HN MET 50 14.846 -2.387 -0.969 393 HA MET 50 HA MET 50 12.721 -3.748 -2.372 394 HB2 MET 50 HB2 MET 50 11.862 -1.268 -2.580 395 HB3 MET 50 HB1 MET 50 11.678 -2.189 -1.098 396 HG2 MET 50 HG2 MET 50 12.404 0.102 -0.658 397 HG3 MET 50 HG1 MET 50 13.565 -1.113 -0.151 398 HE1 MET 50 HE1 MET 50 15.286 0.863 0.195 399 HE2 MET 50 HE2 MET 50 14.138 2.043 -0.437 400 HE3 MET 50 HE3 MET 50 15.777 1.966 -1.087 401 H GLU 51 HN GLU 51 15.575 -2.437 -3.222 402 HA GLU 51 HA GLU 51 14.950 -1.232 -5.721 403 HB2 GLU 51 HB3 GLU 51 17.375 -2.369 -4.476 404 HB3 GLU 51 HB2 GLU 51 17.392 -1.806 -6.139 405 HG2 GLU 51 HG3 GLU 51 16.702 -0.166 -3.688 406 HG3 GLU 51 HG2 GLU 51 18.239 -0.102 -4.552 407 H LYS 52 HN LYS 52 15.605 -4.382 -4.614 408 HA LYS 52 HA LYS 52 15.519 -5.512 -7.345 409 HB2 LYS 52 HB2 LYS 52 16.439 -6.828 -4.780 410 HB3 LYS 52 HB1 LYS 52 16.625 -7.428 -6.414 411 HG2 LYS 52 HG2 LYS 52 17.967 -4.899 -5.496 412 HG3 LYS 52 HG1 LYS 52 18.684 -6.482 -5.236 413 HD2 LYS 52 HD2 LYS 52 19.693 -5.615 -7.201 414 HD3 LYS 52 HD1 LYS 52 18.534 -6.816 -7.741 415 HE2 LYS 52 HE2 LYS 52 16.986 -5.076 -8.416 416 HE3 LYS 52 HE1 LYS 52 18.039 -3.835 -7.731 417 HZ1 LYS 52 HZ1 LYS 52 18.719 -5.667 -9.948 418 HZ2 LYS 52 HZ2 LYS 52 19.697 -4.420 -9.360 419 HZ3 LYS 52 HZ3 LYS 52 18.255 -4.059 -10.147 420 H ALA 53 HN ALA 53 13.246 -4.619 -5.619 421 HA ALA 53 HA ALA 53 11.958 -7.215 -5.109 422 HB1 ALA 53 HB1 ALA 53 12.317 -5.870 -3.097 423 HB2 ALA 53 HB2 ALA 53 10.594 -6.087 -3.434 424 HB3 ALA 53 HB3 ALA 53 11.384 -4.560 -3.815 425 H GLY 54 HN GLY 54 9.842 -7.541 -5.747 426 HA2 GLY 54 HA3 GLY 54 8.741 -5.576 -7.620 427 HA3 GLY 54 HA2 GLY 54 8.576 -7.325 -7.825 428 HA PRO 55 HA PRO 55 4.790 -5.424 -5.748 429 HB2 PRO 55 HB2 PRO 55 3.113 -7.439 -6.730 430 HB3 PRO 55 HB1 PRO 55 3.313 -5.828 -7.416 431 HG2 PRO 55 HG2 PRO 55 4.511 -8.409 -8.258 432 HG3 PRO 55 HG1 PRO 55 4.056 -7.010 -9.235 433 HD2 PRO 55 HD2 PRO 55 6.625 -7.582 -8.644 434 HD3 PRO 55 HD1 PRO 55 6.054 -5.917 -8.833 435 H LEU 56 HN LEU 56 5.429 -8.865 -6.021 436 HA LEU 56 HA LEU 56 4.066 -9.461 -3.526 437 HB2 LEU 56 HB2 LEU 56 4.660 -11.756 -3.793 438 HB3 LEU 56 HB1 LEU 56 4.134 -11.153 -5.340 439 HG LEU 56 HG LEU 56 7.028 -11.618 -4.577 440 HD11 LEU 56 HD11 LEU 56 5.143 -13.318 -6.194 441 HD12 LEU 56 HD12 LEU 56 5.800 -13.704 -4.600 442 HD13 LEU 56 HD13 LEU 56 6.871 -13.607 -6.000 443 HD21 LEU 56 HD21 LEU 56 7.408 -11.520 -7.015 444 HD22 LEU 56 HD22 LEU 56 6.833 -9.994 -6.365 445 HD23 LEU 56 HD23 LEU 56 5.722 -11.052 -7.250 446 H GLU 57 HN GLU 57 7.333 -8.843 -4.424 447 HA GLU 57 HA GLU 57 8.381 -9.739 -1.928 448 HB2 GLU 57 HB3 GLU 57 9.617 -7.934 -4.001 449 HB3 GLU 57 HB2 GLU 57 10.477 -8.669 -2.655 450 HG2 GLU 57 HG3 GLU 57 9.160 -10.117 -4.938 451 HG3 GLU 57 HG2 GLU 57 10.896 -9.904 -4.689 452 H MET 58 HN MET 58 7.380 -6.691 -3.307 453 HA MET 58 HA MET 58 8.054 -4.976 -1.183 454 HB2 MET 58 HB2 MET 58 5.852 -4.861 -3.228 455 HB3 MET 58 HB1 MET 58 6.140 -3.551 -2.090 456 HG2 MET 58 HG2 MET 58 8.252 -4.617 -3.894 457 HG3 MET 58 HG1 MET 58 7.173 -3.347 -4.468 458 HE1 MET 58 HE1 MET 58 10.105 -2.858 -4.787 459 HE2 MET 58 HE2 MET 58 10.350 -1.290 -4.018 460 HE3 MET 58 HE3 MET 58 8.907 -1.582 -4.983 461 H ALA 59 HN ALA 59 5.103 -6.794 -1.873 462 HA ALA 59 HA ALA 59 3.515 -6.088 0.289 463 HB1 ALA 59 HB1 ALA 59 2.794 -7.561 -1.543 464 HB2 ALA 59 HB2 ALA 59 2.485 -8.300 0.028 465 HB3 ALA 59 HB3 ALA 59 3.863 -8.830 -0.941 466 H GLN 60 HN GLN 60 6.009 -8.578 0.116 467 HA GLN 60 HA GLN 60 5.694 -9.354 2.862 468 HB2 GLN 60 HB2 GLN 60 7.872 -10.100 0.907 469 HB3 GLN 60 HB1 GLN 60 7.472 -10.936 2.408 470 HG2 GLN 60 HG2 GLN 60 5.257 -11.486 1.514 471 HG3 GLN 60 HG1 GLN 60 5.655 -10.610 0.060 472 HE21 GLN 60 HE21 GLN 60 7.010 -11.496 -1.438 473 HE22 GLN 60 HE22 GLN 60 7.519 -13.131 -1.439 474 H LEU 61 HN LEU 61 7.227 -6.834 1.382 475 HA LEU 61 HA LEU 61 9.509 -6.533 3.137 476 HB2 LEU 61 HB2 LEU 61 9.299 -5.711 0.713 477 HB3 LEU 61 HB1 LEU 61 8.194 -4.512 1.355 478 HG LEU 61 HG LEU 61 10.075 -3.702 2.799 479 HD11 LEU 61 HD11 LEU 61 11.651 -5.395 0.890 480 HD12 LEU 61 HD12 LEU 61 11.513 -5.664 2.630 481 HD13 LEU 61 HD13 LEU 61 12.338 -4.225 2.016 482 HD21 LEU 61 HD21 LEU 61 10.312 -3.531 -0.193 483 HD22 LEU 61 HD22 LEU 61 11.056 -2.421 0.958 484 HD23 LEU 61 HD23 LEU 61 9.300 -2.518 0.837 485 H LEU 62 HN LEU 62 6.560 -4.611 2.436 486 HA LEU 62 HA LEU 62 6.806 -2.992 4.681 487 HB2 LEU 62 HB2 LEU 62 4.304 -3.607 3.092 488 HB3 LEU 62 HB1 LEU 62 4.410 -2.375 4.319 489 HG LEU 62 HG LEU 62 4.509 -1.186 2.355 490 HD11 LEU 62 HD11 LEU 62 6.724 -0.301 2.060 491 HD12 LEU 62 HD12 LEU 62 7.362 -1.595 3.078 492 HD13 LEU 62 HD13 LEU 62 6.222 -0.420 3.744 493 HD21 LEU 62 HD21 LEU 62 4.699 -3.031 0.804 494 HD22 LEU 62 HD22 LEU 62 6.399 -3.200 1.215 495 HD23 LEU 62 HD23 LEU 62 5.835 -1.734 0.406 496 H ILE 63 HN ILE 63 5.151 -6.087 4.219 497 HA ILE 63 HA ILE 63 3.598 -5.991 6.563 498 HB ILE 63 HB ILE 63 3.618 -7.610 4.434 499 HG12 ILE 63 HG12 ILE 63 1.881 -7.461 6.164 500 HG13 ILE 63 HG11 ILE 63 2.033 -9.075 5.514 501 HG21 ILE 63 HG21 ILE 63 4.414 -9.883 4.948 502 HG22 ILE 63 HG22 ILE 63 5.123 -9.273 6.439 503 HG23 ILE 63 HG23 ILE 63 5.728 -8.702 4.889 504 HD11 ILE 63 HD11 ILE 63 3.303 -9.712 7.547 505 HD12 ILE 63 HD12 ILE 63 1.665 -9.154 7.899 506 HD13 ILE 63 HD13 ILE 63 3.040 -8.085 8.178 507 H THR 64 HN THR 64 6.933 -6.773 6.053 508 HA THR 64 HA THR 64 7.192 -8.083 8.585 509 HB THR 64 HB THR 64 9.284 -7.316 6.539 510 HG1 THR 64 HG1 THR 64 8.288 -8.941 5.546 511 HG21 THR 64 HG21 THR 64 9.447 -9.221 8.903 512 HG22 THR 64 HG22 THR 64 10.262 -7.663 8.792 513 HG23 THR 64 HG23 THR 64 10.710 -8.970 7.697 514 H HIS 65 HN HIS 65 8.101 -4.952 7.217 515 HA HIS 65 HA HIS 65 9.430 -4.220 9.671 516 HB2 HIS 65 HB2 HIS 65 8.870 -2.580 7.195 517 HB3 HIS 65 HB1 HIS 65 9.758 -1.984 8.592 518 HD1 HIS 65 HD1 HIS 65 12.154 -3.130 9.030 519 HD2 HIS 65 HD2 HIS 65 10.291 -4.143 5.453 520 HE1 HIS 65 HE1 HIS 65 13.926 -4.135 7.579 521 H PHE 66 HN PHE 66 6.455 -3.258 8.038 522 HA PHE 66 HA PHE 66 5.732 -1.534 10.241 523 HB2 PHE 66 HB2 PHE 66 4.300 -2.210 7.682 524 HB3 PHE 66 HB1 PHE 66 3.824 -0.946 8.816 525 HD1 PHE 66 HD2 PHE 66 5.245 1.003 9.137 526 HD2 PHE 66 HD1 PHE 66 6.113 -1.929 6.222 527 HE1 PHE 66 HE2 PHE 66 6.906 2.522 8.088 528 HE2 PHE 66 HE1 PHE 66 7.751 -0.474 5.181 529 HZ PHE 66 HZ PHE 66 8.167 1.742 6.104 530 H GLY 67 HN GLY 67 4.056 -4.201 8.615 531 HA2 GLY 67 HA3 GLY 67 3.355 -5.913 10.472 532 HA3 GLY 67 HA2 GLY 67 2.368 -4.515 10.945 533 HA PRO 68 HA PRO 68 0.448 -6.824 7.322 534 HB2 PRO 68 HB2 PRO 68 -1.860 -7.332 9.009 535 HB3 PRO 68 HB1 PRO 68 -0.903 -8.477 8.067 536 HG2 PRO 68 HG2 PRO 68 -0.878 -8.358 10.789 537 HG3 PRO 68 HG1 PRO 68 0.489 -8.956 9.826 538 HD2 PRO 68 HD2 PRO 68 0.104 -6.349 11.212 539 HD3 PRO 68 HD1 PRO 68 1.597 -7.274 10.944 540 H GLU 69 HN GLU 69 -1.588 -5.230 9.755 541 HA GLU 69 HA GLU 69 -3.261 -3.945 7.876 542 HB2 GLU 69 HB3 GLU 69 -2.710 -2.941 10.659 543 HB3 GLU 69 HB2 GLU 69 -4.095 -2.567 9.653 544 HG2 GLU 69 HG3 GLU 69 -4.973 -4.089 11.055 545 HG3 GLU 69 HG2 GLU 69 -4.492 -5.105 9.716 546 H GLU 70 HN GLU 70 -0.394 -2.953 9.610 547 HA GLU 70 HA GLU 70 -0.397 -0.243 8.802 548 HB2 GLU 70 HB3 GLU 70 0.840 -1.317 10.754 549 HB3 GLU 70 HB2 GLU 70 2.049 -1.797 9.571 550 HG2 GLU 70 HG3 GLU 70 2.702 0.271 10.672 551 HG3 GLU 70 HG2 GLU 70 2.379 0.556 8.961 552 H ALA 71 HN ALA 71 1.187 -3.133 7.463 553 HA ALA 71 HA ALA 71 2.581 -1.917 5.374 554 HB1 ALA 71 HB1 ALA 71 2.407 -4.054 4.187 555 HB2 ALA 71 HB2 ALA 71 1.183 -4.591 5.340 556 HB3 ALA 71 HB3 ALA 71 2.829 -4.272 5.882 557 H TRP 72 HN TRP 72 -0.748 -3.062 5.523 558 HA TRP 72 HA TRP 72 -1.359 -2.432 2.877 559 HB2 TRP 72 HB2 TRP 72 -2.789 -3.958 4.094 560 HB3 TRP 72 HB1 TRP 72 -3.180 -2.718 5.277 561 HD1 TRP 72 HD1 TRP 72 -5.673 -2.239 4.914 562 HE1 TRP 72 HE1 TRP 72 -7.140 -1.605 2.884 563 HE3 TRP 72 HE3 TRP 72 -2.225 -2.734 1.182 564 HZ2 TRP 72 HZ2 TRP 72 -6.851 -1.326 0.148 565 HZ3 TRP 72 HZ3 TRP 72 -2.888 -2.277 -1.113 566 HH2 TRP 72 HH2 TRP 72 -5.170 -1.580 -1.638 567 H ARG 73 HN ARG 73 -1.690 -0.587 5.809 568 HA ARG 73 HA ARG 73 -2.847 1.614 4.552 569 HB2 ARG 73 HB2 ARG 73 -3.100 1.328 6.906 570 HB3 ARG 73 HB1 ARG 73 -1.366 1.350 7.158 571 HG2 ARG 73 HG2 ARG 73 -1.239 3.650 6.836 572 HG3 ARG 73 HG1 ARG 73 -2.840 3.720 6.086 573 HD2 ARG 73 HD2 ARG 73 -2.753 4.550 8.445 574 HD3 ARG 73 HD1 ARG 73 -3.914 3.259 8.157 575 HE ARG 73 HE ARG 73 -1.247 2.718 9.314 576 HH11 ARG 73 HH11 ARG 73 -4.828 2.291 9.383 577 HH12 ARG 73 HH12 ARG 73 -4.784 1.406 10.824 578 HH21 ARG 73 HH21 ARG 73 -1.281 1.437 11.293 579 HH22 ARG 73 HH22 ARG 73 -2.793 0.912 11.920 580 H LEU 74 HN LEU 74 0.512 0.783 5.246 581 HA LEU 74 HA LEU 74 1.746 3.108 4.249 582 HB2 LEU 74 HB2 LEU 74 2.581 0.421 5.028 583 HB3 LEU 74 HB1 LEU 74 3.522 1.047 3.697 584 HG LEU 74 HG LEU 74 4.545 1.399 5.939 585 HD11 LEU 74 HD11 LEU 74 5.252 2.798 4.115 586 HD12 LEU 74 HD12 LEU 74 5.178 3.743 5.585 587 HD13 LEU 74 HD13 LEU 74 3.896 3.894 4.378 588 HD21 LEU 74 HD21 LEU 74 2.505 1.823 7.216 589 HD22 LEU 74 HD22 LEU 74 2.263 3.338 6.344 590 HD23 LEU 74 HD23 LEU 74 3.664 3.138 7.400 591 H ALA 75 HN ALA 75 0.328 0.420 2.631 592 HA ALA 75 HA ALA 75 1.570 1.133 0.123 593 HB1 ALA 75 HB1 ALA 75 1.081 -1.231 0.520 594 HB2 ALA 75 HB2 ALA 75 0.198 -0.612 -0.876 595 HB3 ALA 75 HB3 ALA 75 -0.644 -0.850 0.655 596 H LEU 76 HN LEU 76 -1.793 1.105 1.377 597 HA LEU 76 HA LEU 76 -2.782 2.346 -0.936 598 HB2 LEU 76 HB2 LEU 76 -4.929 2.496 0.110 599 HB3 LEU 76 HB1 LEU 76 -4.206 0.991 0.604 600 HG LEU 76 HG LEU 76 -3.580 2.363 2.769 601 HD11 LEU 76 HD11 LEU 76 -5.304 4.000 3.367 602 HD12 LEU 76 HD12 LEU 76 -5.971 3.867 1.735 603 HD13 LEU 76 HD13 LEU 76 -4.353 4.518 1.971 604 HD21 LEU 76 HD21 LEU 76 -5.023 0.413 2.744 605 HD22 LEU 76 HD22 LEU 76 -6.369 1.406 2.187 606 HD23 LEU 76 HD23 LEU 76 -5.690 1.662 3.795 607 H SER 77 HN SER 77 -1.791 3.744 2.153 608 HA SER 77 HA SER 77 -2.573 6.294 1.257 609 HB2 SER 77 HB2 SER 77 -1.467 5.168 3.707 610 HB3 SER 77 HB1 SER 77 -1.292 6.937 3.483 611 HG SER 77 HG SER 77 -3.578 6.823 2.971 612 H THR 78 HN THR 78 -0.008 4.514 0.393 613 HA THR 78 HA THR 78 1.533 6.934 -0.055 614 HB THR 78 HB THR 78 2.265 4.025 -0.543 615 HG1 THR 78 HG1 THR 78 2.867 4.128 1.428 616 HG21 THR 78 HG21 THR 78 3.397 5.500 -2.151 617 HG22 THR 78 HG22 THR 78 4.552 4.892 -0.956 618 HG23 THR 78 HG23 THR 78 3.922 6.536 -0.828 619 H PHE 79 HN PHE 79 -0.520 4.591 -1.571 620 HA PHE 79 HA PHE 79 -0.007 5.081 -4.246 621 HB2 PHE 79 HB2 PHE 79 -2.650 4.490 -2.890 622 HB3 PHE 79 HB1 PHE 79 -2.449 4.477 -4.644 623 HD1 PHE 79 HD1 PHE 79 0.424 3.077 -4.222 624 HD2 PHE 79 HD2 PHE 79 -3.554 2.304 -2.922 625 HE1 PHE 79 HE1 PHE 79 0.951 0.699 -4.014 626 HE2 PHE 79 HE2 PHE 79 -3.026 -0.086 -2.713 627 HZ PHE 79 HZ PHE 79 -0.769 -0.890 -3.260 628 H GLU 80 HN GLU 80 -2.265 6.673 -2.017 629 HA GLU 80 HA GLU 80 -3.299 8.649 -3.701 630 HB2 GLU 80 HB3 GLU 80 -3.796 9.900 -1.570 631 HB3 GLU 80 HB2 GLU 80 -4.358 8.232 -1.590 632 HG2 GLU 80 HG3 GLU 80 -2.538 7.523 -0.278 633 HG3 GLU 80 HG2 GLU 80 -1.768 9.099 -0.376 634 H ARG 81 HN ARG 81 -0.201 8.496 -2.179 635 HA ARG 81 HA ARG 81 0.306 11.346 -2.218 636 HB2 ARG 81 HB2 ARG 81 2.232 9.086 -1.723 637 HB3 ARG 81 HB1 ARG 81 2.485 10.785 -1.342 638 HG2 ARG 81 HG2 ARG 81 0.332 9.068 -0.137 639 HG3 ARG 81 HG1 ARG 81 1.902 9.411 0.581 640 HD2 ARG 81 HD2 ARG 81 1.387 11.532 1.080 641 HD3 ARG 81 HD1 ARG 81 0.238 11.713 -0.254 642 HE ARG 81 HE ARG 81 -1.401 10.623 1.033 643 HH11 ARG 81 HH11 ARG 81 1.556 11.060 3.009 644 HH12 ARG 81 HH12 ARG 81 0.693 10.860 4.465 645 HH21 ARG 81 HH21 ARG 81 -2.463 10.335 2.970 646 HH22 ARG 81 HH22 ARG 81 -1.622 10.420 4.468 647 H ILE 82 HN ILE 82 1.127 8.528 -4.107 648 HA ILE 82 HA ILE 82 3.006 10.014 -5.766 649 HB ILE 82 HB ILE 82 3.524 7.863 -6.803 650 HG12 ILE 82 HG12 ILE 82 1.431 6.678 -4.963 651 HG13 ILE 82 HG11 ILE 82 1.225 6.910 -6.695 652 HG21 ILE 82 HG21 ILE 82 4.387 6.697 -4.850 653 HG22 ILE 82 HG22 ILE 82 3.386 7.704 -3.792 654 HG23 ILE 82 HG23 ILE 82 4.686 8.433 -4.754 655 HD11 ILE 82 HD11 ILE 82 3.265 5.134 -5.380 656 HD12 ILE 82 HD12 ILE 82 3.034 5.332 -7.120 657 HD13 ILE 82 HD13 ILE 82 1.766 4.600 -6.139 658 H ASN 83 HN ASN 83 0.026 10.448 -5.822 659 HA ASN 83 HA ASN 83 -1.658 10.790 -7.210 660 HB2 ASN 83 HB3 ASN 83 0.614 10.956 -9.152 661 HB3 ASN 83 HB2 ASN 83 -1.047 10.985 -9.739 662 HD21 ASN 83 HD21 ASN 83 -2.122 12.407 -7.460 663 HD22 ASN 83 HD22 ASN 83 -1.528 14.013 -7.555 664 H ARG 84 HN ARG 84 -1.202 8.232 -6.446 665 HA ARG 84 HA ARG 84 -2.412 6.780 -8.662 666 HB2 ARG 84 HB2 ARG 84 -0.212 5.883 -8.007 667 HB3 ARG 84 HB1 ARG 84 -0.728 5.787 -6.333 668 HG2 ARG 84 HG2 ARG 84 -0.634 3.637 -7.556 669 HG3 ARG 84 HG1 ARG 84 -2.197 3.992 -6.815 670 HD2 ARG 84 HD2 ARG 84 -2.500 3.103 -9.029 671 HD3 ARG 84 HD1 ARG 84 -3.036 4.778 -8.902 672 HE ARG 84 HE ARG 84 -0.363 4.769 -9.829 673 HH11 ARG 84 HH11 ARG 84 -3.564 3.874 -11.072 674 HH12 ARG 84 HH12 ARG 84 -3.100 4.060 -12.685 675 HH21 ARG 84 HH21 ARG 84 0.213 5.043 -11.945 676 HH22 ARG 84 HH22 ARG 84 -0.886 4.735 -13.234 677 H LYS 85 HN LYS 85 -3.901 8.485 -7.365 678 HA LYS 85 HA LYS 85 -5.076 7.681 -4.922 679 HB2 LYS 85 HB2 LYS 85 -4.948 10.001 -5.594 680 HB3 LYS 85 HB1 LYS 85 -5.842 9.675 -7.068 681 HG2 LYS 85 HG2 LYS 85 -7.844 9.205 -5.721 682 HG3 LYS 85 HG1 LYS 85 -6.899 9.527 -4.263 683 HD2 LYS 85 HD2 LYS 85 -6.533 11.808 -4.922 684 HD3 LYS 85 HD1 LYS 85 -7.327 11.522 -6.470 685 HE2 LYS 85 HE2 LYS 85 -8.674 11.246 -3.787 686 HE3 LYS 85 HE1 LYS 85 -8.749 12.691 -4.786 687 HZ1 LYS 85 HZ1 LYS 85 -10.689 11.200 -5.054 688 HZ2 LYS 85 HZ2 LYS 85 -9.705 10.017 -5.760 689 HZ3 LYS 85 HZ3 LYS 85 -9.888 11.509 -6.472 690 H ASP 86 HN ASP 86 -5.407 7.037 -8.214 691 HA ASP 86 HA ASP 86 -7.995 6.246 -8.557 692 HB2 ASP 86 HB2 ASP 86 -6.562 6.591 -10.426 693 HB3 ASP 86 HB1 ASP 86 -5.439 5.359 -9.875 694 H LEU 87 HN LEU 87 -5.152 4.443 -7.552 695 HA LEU 87 HA LEU 87 -6.505 1.907 -7.301 696 HB2 LEU 87 HB2 LEU 87 -4.100 2.222 -7.972 697 HB3 LEU 87 HB1 LEU 87 -3.805 2.763 -6.326 698 HG LEU 87 HG LEU 87 -4.337 0.598 -5.487 699 HD11 LEU 87 HD11 LEU 87 -4.645 -0.132 -8.399 700 HD12 LEU 87 HD12 LEU 87 -5.941 -0.098 -7.206 701 HD13 LEU 87 HD13 LEU 87 -4.638 -1.283 -7.061 702 HD21 LEU 87 HD21 LEU 87 -2.377 -0.550 -6.403 703 HD22 LEU 87 HD22 LEU 87 -2.079 1.171 -6.090 704 HD23 LEU 87 HD23 LEU 87 -2.362 0.612 -7.736 705 H TRP 88 HN TRP 88 -5.412 4.546 -5.342 706 HA TRP 88 HA TRP 88 -5.610 3.539 -2.762 707 HB2 TRP 88 HB2 TRP 88 -4.534 5.604 -3.293 708 HB3 TRP 88 HB1 TRP 88 -5.995 6.270 -3.934 709 HD1 TRP 88 HD1 TRP 88 -4.763 5.040 -0.493 710 HE1 TRP 88 HE1 TRP 88 -5.798 6.545 1.331 711 HE3 TRP 88 HE3 TRP 88 -7.703 7.947 -3.430 712 HZ2 TRP 88 HZ2 TRP 88 -7.639 8.667 1.498 713 HZ3 TRP 88 HZ3 TRP 88 -9.085 9.701 -2.373 714 HH2 TRP 88 HH2 TRP 88 -9.047 10.048 0.037 715 H GLU 89 HN GLU 89 -8.025 5.092 -4.791 716 HA GLU 89 HA GLU 89 -10.121 5.030 -2.932 717 HB2 GLU 89 HB3 GLU 89 -10.061 5.305 -5.903 718 HB3 GLU 89 HB2 GLU 89 -11.568 5.296 -4.994 719 HG2 GLU 89 HG3 GLU 89 -10.860 7.227 -3.719 720 HG3 GLU 89 HG2 GLU 89 -9.271 7.161 -4.470 721 H ARG 90 HN ARG 90 -8.798 2.498 -4.701 722 HA ARG 90 HA ARG 90 -11.179 0.798 -4.490 723 HB2 ARG 90 HB2 ARG 90 -8.339 0.005 -5.032 724 HB3 ARG 90 HB1 ARG 90 -9.725 -1.050 -5.188 725 HG2 ARG 90 HG2 ARG 90 -10.373 0.427 -7.152 726 HG3 ARG 90 HG1 ARG 90 -8.764 1.171 -6.983 727 HD2 ARG 90 HD2 ARG 90 -7.902 -1.255 -6.842 728 HD3 ARG 90 HD1 ARG 90 -9.454 -1.694 -7.521 729 HE ARG 90 HE ARG 90 -8.391 0.152 -9.257 730 HH11 ARG 90 HH11 ARG 90 -7.519 -3.030 -7.934 731 HH12 ARG 90 HH12 ARG 90 -6.512 -3.485 -9.209 732 HH21 ARG 90 HH21 ARG 90 -6.903 -0.453 -11.034 733 HH22 ARG 90 HH22 ARG 90 -6.129 -1.988 -10.995 734 H GLY 91 HN GLY 91 -8.357 1.674 -2.677 735 HA2 GLY 91 HA3 GLY 91 -8.353 -0.812 -1.163 736 HA3 GLY 91 HA2 GLY 91 -7.086 0.399 -1.182 737 H GLN 92 HN GLN 92 -10.107 1.786 -0.742 738 HA GLN 92 HA GLN 92 -9.415 2.342 2.009 739 HB2 GLN 92 HB2 GLN 92 -11.819 3.259 0.408 740 HB3 GLN 92 HB1 GLN 92 -11.380 3.837 2.013 741 HG2 GLN 92 HG2 GLN 92 -9.318 4.775 1.142 742 HG3 GLN 92 HG1 GLN 92 -9.689 4.145 -0.459 743 HE21 GLN 92 HE21 GLN 92 -9.636 6.168 -1.365 744 HE22 GLN 92 HE22 GLN 92 -10.905 7.321 -1.106 745 H ARG 93 HN ARG 93 -9.454 0.462 2.903 746 HA ARG 93 HA ARG 93 -12.058 -0.864 3.099 747 HB2 ARG 93 HB2 ARG 93 -10.173 -2.087 1.990 748 HB3 ARG 93 HB1 ARG 93 -9.344 -2.095 3.528 749 HG2 ARG 93 HG2 ARG 93 -10.467 -4.221 3.056 750 HG3 ARG 93 HG1 ARG 93 -11.095 -3.446 4.514 751 HD2 ARG 93 HD2 ARG 93 -13.005 -2.632 3.324 752 HD3 ARG 93 HD1 ARG 93 -12.364 -3.209 1.794 753 HE ARG 93 HE ARG 93 -12.536 -5.499 2.822 754 HH11 ARG 93 HH11 ARG 93 -14.810 -2.912 3.759 755 HH12 ARG 93 HH12 ARG 93 -16.023 -3.975 4.248 756 HH21 ARG 93 HH21 ARG 93 -14.244 -6.957 3.448 757 HH22 ARG 93 HH22 ARG 93 -15.711 -6.326 4.062 758 H GLU 94 HN GLU 94 -9.534 0.664 5.004 759 HA GLU 94 HA GLU 94 -10.468 -0.656 7.358 760 HB2 GLU 94 HB3 GLU 94 -8.860 0.655 8.643 761 HB3 GLU 94 HB2 GLU 94 -8.094 -0.189 7.312 762 HG2 GLU 94 HG3 GLU 94 -7.884 1.893 6.091 763 HG3 GLU 94 HG2 GLU 94 -8.793 2.746 7.341 764 H ASP 95 HN ASP 95 -10.848 0.828 9.348 765 HA ASP 95 HA ASP 95 -13.184 2.397 8.549 766 HB2 ASP 95 HB2 ASP 95 -13.527 0.384 9.967 767 HB3 ASP 95 HB1 ASP 95 -12.500 1.098 11.199 768 H LEU 96 HN LEU 96 -13.717 4.085 10.372 769 HA LEU 96 HA LEU 96 -11.904 6.194 10.254 770 HB2 LEU 96 HB2 LEU 96 -14.287 6.499 10.611 771 HB3 LEU 96 HB1 LEU 96 -14.185 5.686 12.155 772 HG LEU 96 HG LEU 96 -12.770 7.551 13.002 773 HD11 LEU 96 HD11 LEU 96 -13.454 8.859 10.382 774 HD12 LEU 96 HD12 LEU 96 -11.847 8.352 10.909 775 HD13 LEU 96 HD13 LEU 96 -12.689 9.647 11.759 776 HD21 LEU 96 HD21 LEU 96 -15.163 7.510 13.437 777 HD22 LEU 96 HD22 LEU 96 -15.465 8.350 11.912 778 HD23 LEU 96 HD23 LEU 96 -14.598 9.165 13.209 779 H VAL 97 HN VAL 97 -10.266 6.820 11.458 780 HA VAL 97 HA VAL 97 -8.965 5.250 13.372 781 HB VAL 97 HB VAL 97 -8.807 8.273 13.010 782 HG11 VAL 97 HG11 VAL 97 -6.840 6.389 14.314 783 HG12 VAL 97 HG12 VAL 97 -7.833 7.591 15.138 784 HG13 VAL 97 HG13 VAL 97 -6.574 8.107 14.015 785 HG21 VAL 97 HG21 VAL 97 -8.314 7.102 10.945 786 HG22 VAL 97 HG22 VAL 97 -7.146 6.077 11.776 787 HG23 VAL 97 HG23 VAL 97 -6.843 7.807 11.611 788 H ARG 98 HN ARG 98 -9.070 5.187 15.569 789 HA ARG 98 HA ARG 98 -11.513 6.109 16.731 790 HB2 ARG 98 HB2 ARG 98 -9.288 4.403 17.774 791 HB3 ARG 98 HB1 ARG 98 -10.617 4.952 18.779 792 HG2 ARG 98 HG2 ARG 98 -10.913 3.359 16.269 793 HG3 ARG 98 HG1 ARG 98 -10.949 2.685 17.913 794 HD2 ARG 98 HD2 ARG 98 -12.897 4.611 16.635 795 HD3 ARG 98 HD1 ARG 98 -13.191 2.968 17.194 796 HE ARG 98 HE ARG 98 -12.308 4.382 19.389 797 HH11 ARG 98 HH11 ARG 98 -15.154 4.385 17.269 798 HH12 ARG 98 HH12 ARG 98 -16.158 5.166 18.401 799 HH21 ARG 98 HH21 ARG 98 -13.644 5.415 20.900 800 HH22 ARG 98 HH22 ARG 98 -15.286 5.765 20.551 801 H ASP 99 HN ASP 99 -11.806 7.817 17.711 802 HA ASP 99 HA ASP 99 -9.698 8.959 19.349 803 HB2 ASP 99 HB2 ASP 99 -10.457 11.278 18.857 804 HB3 ASP 99 HB1 ASP 99 -9.924 10.473 17.397 805 H THR 100 HN THR 100 -10.695 7.486 20.749 806 HA THR 100 HA THR 100 -13.383 7.761 21.665 807 HB THR 100 HB THR 100 -11.097 6.548 23.095 808 HG1 THR 100 HG1 THR 100 -10.888 5.327 21.329 809 HG21 THR 100 HG21 THR 100 -14.018 5.765 22.935 810 HG22 THR 100 HG22 THR 100 -13.212 6.530 24.304 811 HG23 THR 100 HG23 THR 100 -12.794 4.879 23.844 812 H VAL 101 HN VAL 101 -14.057 8.741 23.563 813 HA VAL 101 HA VAL 101 -12.048 10.351 24.945 814 HB VAL 101 HB VAL 101 -13.858 12.032 25.371 815 HG11 VAL 101 HG11 VAL 101 -13.213 11.324 22.519 816 HG12 VAL 101 HG12 VAL 101 -12.225 12.315 23.580 817 HG13 VAL 101 HG13 VAL 101 -13.808 12.910 23.031 818 HG21 VAL 101 HG21 VAL 101 -15.788 10.550 25.045 819 HG22 VAL 101 HG22 VAL 101 -15.334 10.351 23.355 820 HG23 VAL 101 HG23 VAL 101 -15.872 11.932 23.939 821 H GLU 102 HN GLU 102 -14.678 8.117 25.262 822 HA GLU 102 HA GLU 102 -13.908 7.554 27.889 823 HB2 GLU 102 HB3 GLU 102 -16.122 7.948 28.976 824 HB3 GLU 102 HB2 GLU 102 -15.279 9.425 28.550 825 HG2 GLU 102 HG3 GLU 102 -16.758 9.772 26.672 826 HG3 GLU 102 HG2 GLU 102 -17.502 8.196 26.940 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 -23.587 -8.152 17.454 2 H2 GLY 1 HT2 GLY 1 -21.986 -8.015 16.944 3 H3 GLY 1 HT3 GLY 1 -22.385 -7.693 18.532 4 HA2 GLY 1 HA2 GLY 1 -21.320 -9.840 18.316 5 HA3 GLY 1 HA3 GLY 1 -22.955 -9.965 18.947 6 H HIS 2 HN HIS 2 -24.666 -10.326 17.222 7 HA HIS 2 HA HIS 2 -23.743 -12.474 15.564 8 HB2 HIS 2 HB2 HIS 2 -26.175 -12.798 14.928 9 HB3 HIS 2 HB1 HIS 2 -25.848 -12.925 16.645 10 HD1 HIS 2 HD1 HIS 2 -27.735 -10.838 14.136 11 HD2 HIS 2 HD2 HIS 2 -26.981 -10.913 18.222 12 HE1 HIS 2 HE1 HIS 2 -29.367 -9.234 15.174 13 H MET 3 HN MET 3 -22.347 -11.107 14.354 14 HA MET 3 HA MET 3 -23.526 -10.511 11.823 15 HB2 MET 3 HB2 MET 3 -22.667 -8.235 11.624 16 HB3 MET 3 HB1 MET 3 -23.787 -8.330 12.974 17 HG2 MET 3 HG2 MET 3 -21.935 -8.371 14.544 18 HG3 MET 3 HG1 MET 3 -20.780 -8.370 13.214 19 HE1 MET 3 HE1 MET 3 -21.320 -4.780 11.688 20 HE2 MET 3 HE2 MET 3 -22.165 -6.238 11.186 21 HE3 MET 3 HE3 MET 3 -20.440 -6.302 11.548 22 H LEU 4 HN LEU 4 -21.867 -10.266 10.216 23 HA LEU 4 HA LEU 4 -19.324 -11.428 11.070 24 HB2 LEU 4 HB2 LEU 4 -20.634 -12.644 9.330 25 HB3 LEU 4 HB1 LEU 4 -20.547 -11.232 8.305 26 HG LEU 4 HG LEU 4 -18.088 -11.495 8.176 27 HD11 LEU 4 HD11 LEU 4 -17.058 -13.576 8.963 28 HD12 LEU 4 HD12 LEU 4 -18.575 -14.036 9.730 29 HD13 LEU 4 HD13 LEU 4 -17.692 -12.614 10.295 30 HD21 LEU 4 HD21 LEU 4 -19.674 -13.944 7.403 31 HD22 LEU 4 HD22 LEU 4 -18.107 -13.479 6.742 32 HD23 LEU 4 HD23 LEU 4 -19.520 -12.462 6.459 33 H ARG 5 HN ARG 5 -17.748 -10.021 11.272 34 HA ARG 5 HA ARG 5 -18.076 -7.315 10.439 35 HB2 ARG 5 HB2 ARG 5 -15.832 -8.729 11.850 36 HB3 ARG 5 HB1 ARG 5 -15.768 -7.032 11.422 37 HG2 ARG 5 HG2 ARG 5 -17.556 -6.504 12.871 38 HG3 ARG 5 HG1 ARG 5 -17.969 -8.205 13.089 39 HD2 ARG 5 HD2 ARG 5 -16.749 -7.231 15.023 40 HD3 ARG 5 HD1 ARG 5 -15.946 -8.615 14.291 41 HE ARG 5 HE ARG 5 -15.009 -6.105 13.265 42 HH11 ARG 5 HH11 ARG 5 -14.688 -8.426 15.909 43 HH12 ARG 5 HH12 ARG 5 -13.078 -8.032 16.265 44 HH21 ARG 5 HH21 ARG 5 -12.739 -5.540 13.757 45 HH22 ARG 5 HH22 ARG 5 -11.943 -6.362 15.012 46 H THR 6 HN THR 6 -14.878 -8.704 10.029 47 HA THR 6 HA THR 6 -14.999 -7.848 7.222 48 HB THR 6 HB THR 6 -12.518 -7.983 8.980 49 HG1 THR 6 HG1 THR 6 -12.863 -5.651 9.166 50 HG21 THR 6 HG21 THR 6 -11.626 -6.367 7.333 51 HG22 THR 6 HG22 THR 6 -13.149 -6.432 6.445 52 HG23 THR 6 HG23 THR 6 -12.125 -7.863 6.542 53 H ALA 7 HN ALA 7 -15.129 -10.436 9.117 54 HA ALA 7 HA ALA 7 -14.971 -12.645 8.880 55 HB1 ALA 7 HB1 ALA 7 -14.252 -12.088 5.996 56 HB2 ALA 7 HB2 ALA 7 -15.890 -12.257 6.621 57 HB3 ALA 7 HB3 ALA 7 -14.786 -13.633 6.658 58 H GLY 8 HN GLY 8 -12.598 -10.944 9.520 59 HA2 GLY 8 HA3 GLY 8 -10.755 -12.545 10.371 60 HA3 GLY 8 HA2 GLY 8 -10.441 -12.694 8.640 61 H ARG 9 HN ARG 9 -9.037 -11.303 7.783 62 HA ARG 9 HA ARG 9 -8.907 -8.593 8.705 63 HB2 ARG 9 HB2 ARG 9 -6.474 -8.663 9.128 64 HB3 ARG 9 HB1 ARG 9 -7.364 -9.639 10.287 65 HG2 ARG 9 HG2 ARG 9 -6.703 -11.665 9.167 66 HG3 ARG 9 HG1 ARG 9 -5.959 -10.743 7.862 67 HD2 ARG 9 HD2 ARG 9 -4.262 -11.576 9.382 68 HD3 ARG 9 HD1 ARG 9 -4.337 -9.823 9.457 69 HE ARG 9 HE ARG 9 -5.936 -11.079 11.466 70 HH11 ARG 9 HH11 ARG 9 -2.666 -10.012 10.669 71 HH12 ARG 9 HH12 ARG 9 -2.137 -9.958 12.288 72 HH21 ARG 9 HH21 ARG 9 -5.183 -11.036 13.701 73 HH22 ARG 9 HH22 ARG 9 -3.571 -10.585 14.033 74 H ASP 10 HN ASP 10 -8.016 -7.258 7.113 75 HA ASP 10 HA ASP 10 -7.226 -8.634 4.640 76 HB2 ASP 10 HB2 ASP 10 -8.113 -6.820 3.344 77 HB3 ASP 10 HB1 ASP 10 -9.349 -7.184 4.533 78 H GLY 11 HN GLY 11 -5.386 -7.916 3.598 79 HA2 GLY 11 HA3 GLY 11 -3.873 -5.699 4.266 80 HA3 GLY 11 HA2 GLY 11 -3.372 -6.978 5.360 81 H LEU 12 HN LEU 12 -2.248 -8.711 4.588 82 HA LEU 12 HA LEU 12 -0.305 -8.124 2.715 83 HB2 LEU 12 HB2 LEU 12 -0.016 -9.708 4.567 84 HB3 LEU 12 HB1 LEU 12 -1.101 -10.827 3.806 85 HG LEU 12 HG LEU 12 1.356 -11.420 3.738 86 HD11 LEU 12 HD11 LEU 12 -0.021 -11.252 1.074 87 HD12 LEU 12 HD12 LEU 12 -0.169 -12.548 2.265 88 HD13 LEU 12 HD13 LEU 12 1.373 -12.264 1.461 89 HD21 LEU 12 HD21 LEU 12 1.496 -9.218 1.678 90 HD22 LEU 12 HD22 LEU 12 2.783 -10.366 2.057 91 HD23 LEU 12 HD23 LEU 12 2.259 -9.199 3.264 92 H CYS 13 HN CYS 13 -3.139 -10.196 2.171 93 HA CYS 13 HA CYS 13 -2.316 -10.926 -0.455 94 HB2 CYS 13 HB2 CYS 13 -3.908 -12.285 0.866 95 HB3 CYS 13 HB1 CYS 13 -5.099 -10.997 0.739 96 HG CYS 13 HG CYS 13 -3.893 -12.095 -2.195 97 H ARG 14 HN ARG 14 -4.528 -8.510 0.803 98 HA ARG 14 HA ARG 14 -5.453 -7.478 -1.646 99 HB2 ARG 14 HB2 ARG 14 -6.340 -7.203 0.748 100 HB3 ARG 14 HB1 ARG 14 -5.127 -5.952 0.937 101 HG2 ARG 14 HG2 ARG 14 -6.174 -4.642 -0.763 102 HG3 ARG 14 HG1 ARG 14 -7.306 -5.954 -1.120 103 HD2 ARG 14 HD2 ARG 14 -8.087 -5.815 1.250 104 HD3 ARG 14 HD1 ARG 14 -7.095 -4.365 1.428 105 HE ARG 14 HE ARG 14 -8.927 -4.402 -0.771 106 HH11 ARG 14 HH11 ARG 14 -8.614 -3.630 2.694 107 HH12 ARG 14 HH12 ARG 14 -9.733 -2.340 2.629 108 HH21 ARG 14 HH21 ARG 14 -10.418 -2.587 -0.829 109 HH22 ARG 14 HH22 ARG 14 -10.713 -1.691 0.582 110 H LEU 15 HN LEU 15 -2.807 -6.626 0.494 111 HA LEU 15 HA LEU 15 -1.704 -4.403 -0.688 112 HB2 LEU 15 HB2 LEU 15 -1.134 -5.282 1.494 113 HB3 LEU 15 HB1 LEU 15 -0.468 -6.724 0.770 114 HG LEU 15 HG LEU 15 1.347 -5.355 -0.201 115 HD11 LEU 15 HD11 LEU 15 0.112 -3.167 1.439 116 HD12 LEU 15 HD12 LEU 15 0.160 -3.229 -0.324 117 HD13 LEU 15 HD13 LEU 15 1.655 -3.086 0.601 118 HD21 LEU 15 HD21 LEU 15 2.496 -4.973 1.908 119 HD22 LEU 15 HD22 LEU 15 1.628 -6.508 1.912 120 HD23 LEU 15 HD23 LEU 15 0.968 -5.115 2.771 121 H SER 16 HN SER 16 -0.877 -7.837 -1.174 122 HA SER 16 HA SER 16 1.062 -7.499 -3.144 123 HB2 SER 16 HB2 SER 16 -0.837 -9.841 -2.784 124 HB3 SER 16 HB1 SER 16 0.696 -9.879 -3.655 125 HG SER 16 HG SER 16 0.285 -9.468 -0.867 126 H THR 17 HN THR 17 -2.422 -7.988 -3.412 127 HA THR 17 HA THR 17 -2.593 -8.179 -6.196 128 HB THR 17 HB THR 17 -4.713 -7.174 -4.267 129 HG1 THR 17 HG1 THR 17 -3.973 -9.221 -3.615 130 HG21 THR 17 HG21 THR 17 -4.958 -8.500 -6.985 131 HG22 THR 17 HG22 THR 17 -5.275 -6.801 -6.644 132 HG23 THR 17 HG23 THR 17 -6.306 -8.049 -5.940 133 H TYR 18 HN TYR 18 -2.903 -5.317 -4.066 134 HA TYR 18 HA TYR 18 -3.435 -3.628 -6.292 135 HB2 TYR 18 HB2 TYR 18 -3.023 -3.055 -3.389 136 HB3 TYR 18 HB1 TYR 18 -3.060 -1.739 -4.565 137 HD1 TYR 18 HD1 TYR 18 -5.024 -1.606 -6.103 138 HD2 TYR 18 HD2 TYR 18 -5.051 -3.955 -2.584 139 HE1 TYR 18 HE1 TYR 18 -7.466 -1.645 -6.170 140 HE2 TYR 18 HE2 TYR 18 -7.502 -4.003 -2.621 141 HH TYR 18 HH TYR 18 -9.392 -2.616 -3.609 142 H LEU 19 HN LEU 19 -0.517 -4.455 -4.606 143 HA LEU 19 HA LEU 19 0.978 -2.375 -5.831 144 HB2 LEU 19 HB2 LEU 19 1.837 -4.927 -4.486 145 HB3 LEU 19 HB1 LEU 19 2.977 -3.774 -5.149 146 HG LEU 19 HG LEU 19 0.986 -3.101 -2.952 147 HD11 LEU 19 HD11 LEU 19 2.589 -4.721 -2.171 148 HD12 LEU 19 HD12 LEU 19 2.890 -3.136 -1.467 149 HD13 LEU 19 HD13 LEU 19 3.921 -3.733 -2.775 150 HD21 LEU 19 HD21 LEU 19 1.677 -1.189 -4.330 151 HD22 LEU 19 HD22 LEU 19 3.365 -1.596 -4.036 152 HD23 LEU 19 HD23 LEU 19 2.331 -1.099 -2.699 153 H GLU 20 HN GLU 20 -0.128 -5.422 -6.940 154 HA GLU 20 HA GLU 20 1.726 -5.746 -9.073 155 HB2 GLU 20 HB3 GLU 20 -1.085 -6.771 -8.728 156 HB3 GLU 20 HB2 GLU 20 -0.061 -7.177 -10.094 157 HG2 GLU 20 HG3 GLU 20 1.571 -8.147 -8.522 158 HG3 GLU 20 HG2 GLU 20 0.444 -7.821 -7.207 159 H GLU 21 HN GLU 21 -0.927 -3.674 -8.582 160 HA GLU 21 HA GLU 21 -1.325 -3.198 -11.392 161 HB2 GLU 21 HB3 GLU 21 -2.663 -2.137 -8.929 162 HB3 GLU 21 HB2 GLU 21 -3.005 -1.501 -10.534 163 HG2 GLU 21 HG3 GLU 21 -3.325 -4.375 -9.707 164 HG3 GLU 21 HG2 GLU 21 -4.636 -3.197 -9.835 165 H LEU 22 HN LEU 22 0.983 -2.269 -9.374 166 HA LEU 22 HA LEU 22 1.166 0.414 -10.523 167 HB2 LEU 22 HB2 LEU 22 2.772 -0.862 -8.301 168 HB3 LEU 22 HB1 LEU 22 3.056 0.731 -8.940 169 HG LEU 22 HG LEU 22 0.637 -0.180 -7.399 170 HD11 LEU 22 HD11 LEU 22 2.889 1.712 -6.758 171 HD12 LEU 22 HD12 LEU 22 2.586 0.135 -6.022 172 HD13 LEU 22 HD13 LEU 22 1.458 1.464 -5.765 173 HD21 LEU 22 HD21 LEU 22 1.258 2.531 -8.592 174 HD22 LEU 22 HD22 LEU 22 -0.072 2.178 -7.491 175 HD23 LEU 22 HD23 LEU 22 -0.044 1.447 -9.094 176 H GLU 23 HN GLU 23 2.852 0.959 -11.826 177 HA GLU 23 HA GLU 23 4.165 -1.175 -13.216 178 HB2 GLU 23 HB3 GLU 23 4.732 1.795 -13.356 179 HB3 GLU 23 HB2 GLU 23 5.212 0.569 -14.509 180 HG2 GLU 23 HG3 GLU 23 2.410 1.452 -13.934 181 HG3 GLU 23 HG2 GLU 23 3.389 1.874 -15.340 182 H ALA 24 HN ALA 24 6.630 -1.008 -13.510 183 HA ALA 24 HA ALA 24 7.899 -1.377 -11.030 184 HB1 ALA 24 HB1 ALA 24 8.709 -2.384 -13.135 185 HB2 ALA 24 HB2 ALA 24 9.986 -1.503 -12.298 186 HB3 ALA 24 HB3 ALA 24 9.197 -0.785 -13.702 187 H VAL 25 HN VAL 25 7.761 1.354 -13.197 188 HA VAL 25 HA VAL 25 9.479 3.067 -11.776 189 HB VAL 25 HB VAL 25 8.868 3.565 -14.100 190 HG11 VAL 25 HG11 VAL 25 6.554 2.758 -14.084 191 HG12 VAL 25 HG12 VAL 25 6.661 4.409 -14.710 192 HG13 VAL 25 HG13 VAL 25 6.105 4.125 -13.061 193 HG21 VAL 25 HG21 VAL 25 9.545 5.458 -12.741 194 HG22 VAL 25 HG22 VAL 25 7.866 5.666 -12.218 195 HG23 VAL 25 HG23 VAL 25 8.295 5.936 -13.904 196 H GLU 26 HN GLU 26 6.066 2.374 -11.438 197 HA GLU 26 HA GLU 26 5.486 4.529 -9.656 198 HB2 GLU 26 HB3 GLU 26 4.010 1.961 -10.175 199 HB3 GLU 26 HB2 GLU 26 3.357 3.326 -9.273 200 HG2 GLU 26 HG3 GLU 26 4.150 3.299 -12.168 201 HG3 GLU 26 HG2 GLU 26 2.498 3.235 -11.544 202 H LEU 27 HN LEU 27 6.264 1.137 -9.339 203 HA LEU 27 HA LEU 27 6.031 0.885 -6.555 204 HB2 LEU 27 HB2 LEU 27 7.844 -0.537 -8.503 205 HB3 LEU 27 HB1 LEU 27 7.607 -1.022 -6.840 206 HG LEU 27 HG LEU 27 5.413 -0.963 -8.911 207 HD11 LEU 27 HD11 LEU 27 7.121 -2.610 -9.477 208 HD12 LEU 27 HD12 LEU 27 5.638 -3.384 -8.935 209 HD13 LEU 27 HD13 LEU 27 7.023 -3.279 -7.847 210 HD21 LEU 27 HD21 LEU 27 4.204 -2.322 -7.258 211 HD22 LEU 27 HD22 LEU 27 4.604 -0.730 -6.620 212 HD23 LEU 27 HD23 LEU 27 5.550 -2.138 -6.131 213 H LYS 28 HN LYS 28 8.616 1.990 -8.613 214 HA LYS 28 HA LYS 28 10.659 2.222 -6.686 215 HB2 LYS 28 HB2 LYS 28 10.894 2.314 -9.198 216 HB3 LYS 28 HB1 LYS 28 10.244 3.941 -9.136 217 HG2 LYS 28 HG2 LYS 28 12.135 4.613 -7.725 218 HG3 LYS 28 HG1 LYS 28 12.802 2.988 -7.871 219 HD2 LYS 28 HD2 LYS 28 12.660 3.356 -10.400 220 HD3 LYS 28 HD1 LYS 28 12.428 5.057 -10.015 221 HE2 LYS 28 HE2 LYS 28 14.771 4.668 -10.441 222 HE3 LYS 28 HE1 LYS 28 14.551 5.009 -8.725 223 HZ1 LYS 28 HZ1 LYS 28 16.033 3.123 -9.011 224 HZ2 LYS 28 HZ2 LYS 28 14.905 2.329 -9.954 225 HZ3 LYS 28 HZ3 LYS 28 14.592 2.567 -8.332 226 H LYS 29 HN LYS 29 8.184 4.435 -7.853 227 HA LYS 29 HA LYS 29 8.862 6.763 -6.380 228 HB2 LYS 29 HB2 LYS 29 6.163 5.761 -7.233 229 HB3 LYS 29 HB1 LYS 29 6.496 7.388 -6.684 230 HG2 LYS 29 HG2 LYS 29 7.950 7.757 -8.649 231 HG3 LYS 29 HG1 LYS 29 7.570 6.127 -9.200 232 HD2 LYS 29 HD2 LYS 29 5.258 6.653 -9.441 233 HD3 LYS 29 HD1 LYS 29 5.466 8.212 -8.661 234 HE2 LYS 29 HE2 LYS 29 6.670 7.388 -11.304 235 HE3 LYS 29 HE1 LYS 29 5.243 8.402 -11.080 236 HZ1 LYS 29 HZ1 LYS 29 8.048 9.067 -10.341 237 HZ2 LYS 29 HZ2 LYS 29 6.744 9.939 -9.805 238 HZ3 LYS 29 HZ3 LYS 29 7.059 9.876 -11.449 239 H PHE 30 HN PHE 30 6.528 4.222 -5.851 240 HA PHE 30 HA PHE 30 5.499 4.835 -3.397 241 HB2 PHE 30 HB2 PHE 30 4.375 3.171 -4.520 242 HB3 PHE 30 HB1 PHE 30 5.847 2.387 -5.047 243 HD1 PHE 30 HD1 PHE 30 3.839 2.969 -1.981 244 HD2 PHE 30 HD2 PHE 30 6.425 0.428 -4.140 245 HE1 PHE 30 HE1 PHE 30 3.527 1.201 -0.267 246 HE2 PHE 30 HE2 PHE 30 6.131 -1.345 -2.451 247 HZ PHE 30 HZ PHE 30 4.669 -0.947 -0.512 248 H LYS 31 HN LYS 31 8.302 2.829 -4.120 249 HA LYS 31 HA LYS 31 9.106 2.152 -1.530 250 HB2 LYS 31 HB2 LYS 31 10.102 1.094 -3.457 251 HB3 LYS 31 HB1 LYS 31 10.707 2.638 -4.038 252 HG2 LYS 31 HG2 LYS 31 11.904 2.661 -1.691 253 HG3 LYS 31 HG1 LYS 31 11.719 0.917 -1.851 254 HD2 LYS 31 HD2 LYS 31 12.916 0.927 -3.933 255 HD3 LYS 31 HD1 LYS 31 12.953 2.695 -3.944 256 HE2 LYS 31 HE2 LYS 31 14.218 2.583 -1.789 257 HE3 LYS 31 HE1 LYS 31 14.337 0.840 -2.026 258 HZ1 LYS 31 HZ1 LYS 31 16.312 1.877 -2.859 259 HZ2 LYS 31 HZ2 LYS 31 15.410 2.965 -3.762 260 HZ3 LYS 31 HZ3 LYS 31 15.415 1.352 -4.204 261 H LEU 32 HN LEU 32 10.194 4.894 -3.535 262 HA LEU 32 HA LEU 32 11.981 5.725 -1.523 263 HB2 LEU 32 HB2 LEU 32 12.486 7.632 -2.892 264 HB3 LEU 32 HB1 LEU 32 12.385 6.204 -3.882 265 HG LEU 32 HG LEU 32 9.955 7.090 -4.395 266 HD11 LEU 32 HD11 LEU 32 11.356 9.604 -3.581 267 HD12 LEU 32 HD12 LEU 32 9.985 8.861 -2.766 268 HD13 LEU 32 HD13 LEU 32 9.793 9.506 -4.404 269 HD21 LEU 32 HD21 LEU 32 12.464 8.317 -5.509 270 HD22 LEU 32 HD22 LEU 32 10.883 8.337 -6.300 271 HD23 LEU 32 HD23 LEU 32 11.726 6.806 -6.032 272 H TYR 33 HN TYR 33 8.664 6.395 -2.063 273 HA TYR 33 HA TYR 33 8.556 8.753 -0.535 274 HB2 TYR 33 HB2 TYR 33 6.724 8.109 -2.079 275 HB3 TYR 33 HB1 TYR 33 6.337 6.746 -1.027 276 HD1 TYR 33 HD1 TYR 33 6.319 10.364 -1.347 277 HD2 TYR 33 HD2 TYR 33 5.182 7.077 1.059 278 HE1 TYR 33 HE1 TYR 33 4.969 11.876 0.066 279 HE2 TYR 33 HE2 TYR 33 3.835 8.519 2.474 280 HH TYR 33 HH TYR 33 3.996 11.067 3.060 281 H LEU 34 HN LEU 34 8.543 5.390 0.338 282 HA LEU 34 HA LEU 34 8.053 6.234 3.093 283 HB2 LEU 34 HB2 LEU 34 7.249 3.894 3.503 284 HB3 LEU 34 HB1 LEU 34 6.296 4.901 2.436 285 HG LEU 34 HG LEU 34 7.408 3.696 0.508 286 HD11 LEU 34 HD11 LEU 34 8.158 1.424 0.932 287 HD12 LEU 34 HD12 LEU 34 8.074 1.717 2.670 288 HD13 LEU 34 HD13 LEU 34 9.221 2.619 1.678 289 HD21 LEU 34 HD21 LEU 34 5.757 1.940 0.598 290 HD22 LEU 34 HD22 LEU 34 5.098 3.466 1.212 291 HD23 LEU 34 HD23 LEU 34 5.570 2.187 2.334 292 H GLY 35 HN GLY 35 10.300 4.479 1.143 293 HA2 GLY 35 HA3 GLY 35 11.554 3.413 3.468 294 HA3 GLY 35 HA2 GLY 35 12.094 3.150 1.809 295 H THR 36 HN THR 36 12.428 5.786 0.964 296 HA THR 36 HA THR 36 14.882 6.468 2.394 297 HB THR 36 HB THR 36 15.331 7.999 0.468 298 HG1 THR 36 HG1 THR 36 12.745 7.908 0.080 299 HG21 THR 36 HG21 THR 36 15.540 6.327 -1.289 300 HG22 THR 36 HG22 THR 36 14.470 5.249 -0.410 301 HG23 THR 36 HG23 THR 36 16.061 5.655 0.262 302 H ALA 37 HN ALA 37 12.079 7.083 3.355 303 HA ALA 37 HA ALA 37 11.969 9.977 3.176 304 HB1 ALA 37 HB1 ALA 37 9.994 8.057 4.312 305 HB2 ALA 37 HB2 ALA 37 9.998 8.654 2.657 306 HB3 ALA 37 HB3 ALA 37 9.753 9.776 3.999 307 H THR 38 HN THR 38 12.191 11.294 4.836 308 HA THR 38 HA THR 38 13.147 10.263 7.342 309 HB THR 38 HB THR 38 12.660 13.157 6.546 310 HG1 THR 38 HG1 THR 38 15.233 12.448 6.437 311 HG21 THR 38 HG21 THR 38 13.072 12.760 8.948 312 HG22 THR 38 HG22 THR 38 14.419 13.622 8.201 313 HG23 THR 38 HG23 THR 38 14.559 11.899 8.546 314 H GLU 39 HN GLU 39 10.222 11.234 5.946 315 HA GLU 39 HA GLU 39 8.858 11.971 8.355 316 HB2 GLU 39 HB3 GLU 39 6.760 11.883 7.050 317 HB3 GLU 39 HB2 GLU 39 7.999 12.813 6.238 318 HG2 GLU 39 HG3 GLU 39 8.453 10.904 4.778 319 HG3 GLU 39 HG2 GLU 39 7.152 10.001 5.567 320 H LEU 40 HN LEU 40 9.921 9.078 7.238 321 HA LEU 40 HA LEU 40 8.061 7.543 8.910 322 HB2 LEU 40 HB2 LEU 40 9.956 6.823 6.737 323 HB3 LEU 40 HB1 LEU 40 9.630 5.662 8.004 324 HG LEU 40 HG LEU 40 8.248 5.172 6.093 325 HD11 LEU 40 HD11 LEU 40 6.545 6.376 8.252 326 HD12 LEU 40 HD12 LEU 40 7.255 4.764 8.250 327 HD13 LEU 40 HD13 LEU 40 6.036 5.192 7.050 328 HD21 LEU 40 HD21 LEU 40 8.199 7.347 5.026 329 HD22 LEU 40 HD22 LEU 40 7.163 7.972 6.318 330 HD23 LEU 40 HD23 LEU 40 6.568 6.710 5.232 331 H GLY 41 HN GLY 41 10.487 9.336 9.385 332 HA2 GLY 41 HA3 GLY 41 11.708 9.594 11.341 333 HA3 GLY 41 HA2 GLY 41 11.412 7.901 11.721 334 H GLU 42 HN GLU 42 12.617 6.384 10.801 335 HA GLU 42 HA GLU 42 15.295 7.243 9.949 336 HB2 GLU 42 HB3 GLU 42 14.527 4.364 10.386 337 HB3 GLU 42 HB2 GLU 42 16.102 5.108 10.539 338 HG2 GLU 42 HG3 GLU 42 15.567 4.646 12.723 339 HG3 GLU 42 HG2 GLU 42 15.020 6.317 12.584 340 H GLY 43 HN GLY 43 12.410 5.807 8.860 341 HA2 GLY 43 HA3 GLY 43 11.813 5.055 6.724 342 HA3 GLY 43 HA2 GLY 43 13.510 5.224 6.224 343 H LYS 44 HN LYS 44 11.161 3.067 7.327 344 HA LYS 44 HA LYS 44 12.861 1.368 8.872 345 HB2 LYS 44 HB2 LYS 44 10.192 0.586 7.730 346 HB3 LYS 44 HB1 LYS 44 10.983 -0.047 9.159 347 HG2 LYS 44 HG2 LYS 44 9.846 2.732 8.845 348 HG3 LYS 44 HG1 LYS 44 9.120 1.400 9.728 349 HD2 LYS 44 HD2 LYS 44 11.772 2.676 10.426 350 HD3 LYS 44 HD1 LYS 44 10.240 3.104 11.172 351 HE2 LYS 44 HE2 LYS 44 10.038 0.677 11.854 352 HE3 LYS 44 HE1 LYS 44 11.712 0.483 11.334 353 HZ1 LYS 44 HZ1 LYS 44 10.687 2.271 13.452 354 HZ2 LYS 44 HZ2 LYS 44 12.269 2.346 12.924 355 HZ3 LYS 44 HZ3 LYS 44 11.689 0.943 13.681 356 H ILE 45 HN ILE 45 12.643 1.741 5.580 357 HA ILE 45 HA ILE 45 13.143 -1.076 4.987 358 HB ILE 45 HB ILE 45 12.523 1.225 3.130 359 HG12 ILE 45 HG12 ILE 45 10.554 0.510 4.426 360 HG13 ILE 45 HG11 ILE 45 10.377 0.095 2.727 361 HG21 ILE 45 HG21 ILE 45 12.361 -0.457 1.348 362 HG22 ILE 45 HG22 ILE 45 12.931 -1.688 2.482 363 HG23 ILE 45 HG23 ILE 45 13.987 -0.364 2.029 364 HD11 ILE 45 HD11 ILE 45 11.014 -2.221 3.258 365 HD12 ILE 45 HD12 ILE 45 9.571 -1.699 4.122 366 HD13 ILE 45 HD13 ILE 45 11.117 -1.779 4.963 367 HA PRO 46 HA PRO 46 17.447 0.012 4.290 368 HB2 PRO 46 HB2 PRO 46 17.976 -2.378 2.926 369 HB3 PRO 46 HB1 PRO 46 18.261 -2.086 4.642 370 HG2 PRO 46 HG2 PRO 46 16.106 -3.562 3.309 371 HG3 PRO 46 HG1 PRO 46 16.735 -3.691 4.977 372 HD2 PRO 46 HD2 PRO 46 14.333 -2.551 4.200 373 HD3 PRO 46 HD1 PRO 46 15.148 -2.251 5.741 374 H TRP 47 HN TRP 47 18.271 0.978 2.733 375 HA TRP 47 HA TRP 47 16.981 2.214 0.738 376 HB2 TRP 47 HB2 TRP 47 19.935 1.639 0.739 377 HB3 TRP 47 HB1 TRP 47 19.113 3.032 0.046 378 HD1 TRP 47 HD1 TRP 47 18.672 5.074 1.639 379 HE1 TRP 47 HE1 TRP 47 19.194 5.564 4.112 380 HE3 TRP 47 HE3 TRP 47 20.138 0.397 3.124 381 HZ2 TRP 47 HZ2 TRP 47 20.095 4.144 6.393 382 HZ3 TRP 47 HZ3 TRP 47 20.800 0.047 5.447 383 HH2 TRP 47 HH2 TRP 47 20.790 1.881 7.050 384 H GLY 48 HN GLY 48 18.811 -0.812 0.321 385 HA2 GLY 48 HA3 GLY 48 18.182 -0.654 -2.544 386 HA3 GLY 48 HA2 GLY 48 19.553 -1.519 -1.876 387 H SER 49 HN SER 49 17.059 -2.220 0.162 388 HA SER 49 HA SER 49 16.988 -4.869 -0.780 389 HB2 SER 49 HB2 SER 49 16.831 -4.276 1.589 390 HB3 SER 49 HB1 SER 49 15.252 -3.537 1.314 391 HG SER 49 HG SER 49 16.004 -6.258 1.267 392 H MET 50 HN MET 50 14.846 -2.160 -1.279 393 HA MET 50 HA MET 50 12.824 -3.911 -2.438 394 HB2 MET 50 HB2 MET 50 12.798 -0.902 -2.117 395 HB3 MET 50 HB1 MET 50 11.495 -1.835 -2.843 396 HG2 MET 50 HG2 MET 50 11.151 -3.008 -0.749 397 HG3 MET 50 HG1 MET 50 12.478 -2.116 -0.019 398 HE1 MET 50 HE1 MET 50 9.564 -0.891 -2.442 399 HE2 MET 50 HE2 MET 50 8.418 -0.270 -1.256 400 HE3 MET 50 HE3 MET 50 8.785 -1.996 -1.312 401 H GLU 51 HN GLU 51 15.620 -2.866 -3.569 402 HA GLU 51 HA GLU 51 14.875 -1.893 -6.173 403 HB2 GLU 51 HB3 GLU 51 17.416 -2.988 -5.061 404 HB3 GLU 51 HB2 GLU 51 17.288 -2.369 -6.702 405 HG2 GLU 51 HG3 GLU 51 16.849 -0.827 -4.150 406 HG3 GLU 51 HG2 GLU 51 18.274 -0.718 -5.189 407 H LYS 52 HN LYS 52 15.906 -4.870 -4.778 408 HA LYS 52 HA LYS 52 15.832 -6.416 -7.241 409 HB2 LYS 52 HB2 LYS 52 16.570 -8.246 -5.765 410 HB3 LYS 52 HB1 LYS 52 17.581 -6.819 -5.578 411 HG2 LYS 52 HG2 LYS 52 16.305 -6.208 -3.551 412 HG3 LYS 52 HG1 LYS 52 15.358 -7.675 -3.731 413 HD2 LYS 52 HD2 LYS 52 17.381 -9.013 -3.440 414 HD3 LYS 52 HD1 LYS 52 18.339 -7.537 -3.273 415 HE2 LYS 52 HE2 LYS 52 16.971 -6.900 -1.321 416 HE3 LYS 52 HE1 LYS 52 16.080 -8.410 -1.472 417 HZ1 LYS 52 HZ1 LYS 52 18.150 -9.606 -1.049 418 HZ2 LYS 52 HZ2 LYS 52 17.753 -8.546 0.204 419 HZ3 LYS 52 HZ3 LYS 52 18.970 -8.126 -0.867 420 H ALA 53 HN ALA 53 13.363 -5.228 -5.726 421 HA ALA 53 HA ALA 53 11.925 -7.747 -5.281 422 HB1 ALA 53 HB1 ALA 53 10.634 -6.563 -3.569 423 HB2 ALA 53 HB2 ALA 53 11.586 -5.106 -3.885 424 HB3 ALA 53 HB3 ALA 53 12.366 -6.532 -3.218 425 H GLY 54 HN GLY 54 9.990 -8.000 -6.290 426 HA2 GLY 54 HA3 GLY 54 9.067 -5.849 -8.024 427 HA3 GLY 54 HA2 GLY 54 8.605 -7.551 -8.094 428 HA PRO 55 HA PRO 55 5.080 -5.021 -6.262 429 HB2 PRO 55 HB2 PRO 55 3.621 -7.267 -7.517 430 HB3 PRO 55 HB1 PRO 55 3.306 -5.535 -7.600 431 HG2 PRO 55 HG2 PRO 55 4.360 -6.925 -9.665 432 HG3 PRO 55 HG1 PRO 55 4.746 -5.226 -9.366 433 HD2 PRO 55 HD2 PRO 55 6.427 -7.647 -8.911 434 HD3 PRO 55 HD1 PRO 55 6.894 -5.975 -9.250 435 H LEU 56 HN LEU 56 5.378 -8.540 -6.457 436 HA LEU 56 HA LEU 56 3.722 -9.056 -4.148 437 HB2 LEU 56 HB2 LEU 56 3.948 -10.621 -6.090 438 HB3 LEU 56 HB1 LEU 56 5.618 -10.871 -5.672 439 HG LEU 56 HG LEU 56 3.338 -11.715 -3.861 440 HD11 LEU 56 HD11 LEU 56 3.684 -13.958 -4.781 441 HD12 LEU 56 HD12 LEU 56 4.854 -13.305 -5.931 442 HD13 LEU 56 HD13 LEU 56 3.160 -12.834 -6.036 443 HD21 LEU 56 HD21 LEU 56 5.536 -11.540 -2.778 444 HD22 LEU 56 HD22 LEU 56 6.235 -12.548 -4.035 445 HD23 LEU 56 HD23 LEU 56 5.036 -13.228 -2.927 446 H GLU 57 HN GLU 57 7.145 -8.975 -4.823 447 HA GLU 57 HA GLU 57 7.953 -9.881 -2.281 448 HB2 GLU 57 HB3 GLU 57 9.460 -8.258 -4.316 449 HB3 GLU 57 HB2 GLU 57 10.180 -9.063 -2.922 450 HG2 GLU 57 HG3 GLU 57 9.500 -11.214 -3.775 451 HG3 GLU 57 HG2 GLU 57 8.688 -10.441 -5.133 452 H MET 58 HN MET 58 7.414 -6.649 -3.613 453 HA MET 58 HA MET 58 8.345 -5.214 -1.398 454 HB2 MET 58 HB2 MET 58 6.261 -4.557 -3.447 455 HB3 MET 58 HB1 MET 58 6.675 -3.400 -2.193 456 HG2 MET 58 HG2 MET 58 9.064 -3.579 -3.001 457 HG3 MET 58 HG1 MET 58 8.462 -4.569 -4.323 458 HE1 MET 58 HE1 MET 58 9.629 -2.936 -6.074 459 HE2 MET 58 HE2 MET 58 10.238 -2.044 -4.688 460 HE3 MET 58 HE3 MET 58 9.457 -1.177 -6.003 461 H ALA 59 HN ALA 59 5.178 -6.567 -2.087 462 HA ALA 59 HA ALA 59 3.785 -5.601 0.098 463 HB1 ALA 59 HB1 ALA 59 2.759 -6.846 -1.747 464 HB2 ALA 59 HB2 ALA 59 2.321 -7.537 -0.185 465 HB3 ALA 59 HB3 ALA 59 3.542 -8.321 -1.187 466 H GLN 60 HN GLN 60 5.902 -8.405 -0.153 467 HA GLN 60 HA GLN 60 5.385 -9.234 2.527 468 HB2 GLN 60 HB2 GLN 60 7.701 -10.094 0.811 469 HB3 GLN 60 HB1 GLN 60 7.006 -10.937 2.196 470 HG2 GLN 60 HG2 GLN 60 4.871 -11.085 0.871 471 HG3 GLN 60 HG1 GLN 60 5.799 -10.519 -0.500 472 HE21 GLN 60 HE21 GLN 60 4.481 -13.043 -0.196 473 HE22 GLN 60 HE22 GLN 60 5.688 -14.270 -0.329 474 H LEU 61 HN LEU 61 7.721 -7.172 1.014 475 HA LEU 61 HA LEU 61 9.457 -7.036 3.239 476 HB2 LEU 61 HB2 LEU 61 9.169 -5.508 0.731 477 HB3 LEU 61 HB1 LEU 61 9.947 -4.639 2.028 478 HG LEU 61 HG LEU 61 11.663 -6.421 2.173 479 HD11 LEU 61 HD11 LEU 61 10.401 -8.322 1.398 480 HD12 LEU 61 HD12 LEU 61 11.857 -8.105 0.423 481 HD13 LEU 61 HD13 LEU 61 10.285 -7.613 -0.210 482 HD21 LEU 61 HD21 LEU 61 12.087 -4.481 0.796 483 HD22 LEU 61 HD22 LEU 61 11.308 -5.261 -0.579 484 HD23 LEU 61 HD23 LEU 61 12.808 -5.918 0.075 485 H LEU 62 HN LEU 62 6.843 -4.795 2.186 486 HA LEU 62 HA LEU 62 7.088 -3.141 4.426 487 HB2 LEU 62 HB2 LEU 62 4.661 -3.685 2.708 488 HB3 LEU 62 HB1 LEU 62 4.655 -2.546 4.017 489 HG LEU 62 HG LEU 62 4.845 -1.334 1.993 490 HD11 LEU 62 HD11 LEU 62 7.519 -1.389 3.292 491 HD12 LEU 62 HD12 LEU 62 6.118 -0.444 3.795 492 HD13 LEU 62 HD13 LEU 62 6.897 -0.117 2.244 493 HD21 LEU 62 HD21 LEU 62 7.225 -3.001 1.350 494 HD22 LEU 62 HD22 LEU 62 6.648 -1.610 0.404 495 HD23 LEU 62 HD23 LEU 62 5.645 -3.066 0.579 496 H ILE 63 HN ILE 63 5.260 -6.110 3.953 497 HA ILE 63 HA ILE 63 3.825 -5.964 6.370 498 HB ILE 63 HB ILE 63 3.567 -7.547 4.222 499 HG12 ILE 63 HG12 ILE 63 1.974 -7.266 6.056 500 HG13 ILE 63 HG11 ILE 63 1.950 -8.884 5.372 501 HG21 ILE 63 HG21 ILE 63 4.989 -9.398 6.119 502 HG22 ILE 63 HG22 ILE 63 5.596 -8.836 4.565 503 HG23 ILE 63 HG23 ILE 63 4.167 -9.874 4.629 504 HD11 ILE 63 HD11 ILE 63 3.262 -9.684 7.304 505 HD12 ILE 63 HD12 ILE 63 1.722 -8.965 7.784 506 HD13 ILE 63 HD13 ILE 63 3.223 -8.055 7.980 507 H THR 64 HN THR 64 7.042 -7.137 5.664 508 HA THR 64 HA THR 64 7.326 -8.408 8.210 509 HB THR 64 HB THR 64 9.416 -7.770 6.112 510 HG1 THR 64 HG1 THR 64 8.100 -9.237 5.214 511 HG21 THR 64 HG21 THR 64 10.415 -8.156 8.341 512 HG22 THR 64 HG22 THR 64 10.777 -9.479 7.236 513 HG23 THR 64 HG23 THR 64 9.529 -9.676 8.466 514 H HIS 65 HN HIS 65 8.277 -5.299 6.860 515 HA HIS 65 HA HIS 65 9.794 -4.666 9.237 516 HB2 HIS 65 HB2 HIS 65 9.132 -2.971 6.820 517 HB3 HIS 65 HB1 HIS 65 10.104 -2.405 8.169 518 HD1 HIS 65 HD1 HIS 65 12.599 -3.052 8.139 519 HD2 HIS 65 HD2 HIS 65 10.348 -4.991 5.246 520 HE1 HIS 65 HE1 HIS 65 14.238 -4.211 6.658 521 H PHE 66 HN PHE 66 6.990 -3.161 7.676 522 HA PHE 66 HA PHE 66 6.321 -1.669 9.993 523 HB2 PHE 66 HB2 PHE 66 4.811 -2.180 7.432 524 HB3 PHE 66 HB1 PHE 66 4.359 -0.996 8.663 525 HD1 PHE 66 HD2 PHE 66 6.814 -1.887 6.123 526 HD2 PHE 66 HD1 PHE 66 5.545 1.059 8.898 527 HE1 PHE 66 HE2 PHE 66 8.334 -0.300 5.097 528 HE2 PHE 66 HE1 PHE 66 7.081 2.678 7.872 529 HZ PHE 66 HZ PHE 66 8.484 1.985 5.964 530 H GLY 67 HN GLY 67 4.344 -4.118 8.320 531 HA2 GLY 67 HA3 GLY 67 3.809 -5.909 10.181 532 HA3 GLY 67 HA2 GLY 67 2.885 -4.537 10.790 533 HA PRO 68 HA PRO 68 0.572 -7.120 7.534 534 HB2 PRO 68 HB2 PRO 68 -1.667 -7.473 9.130 535 HB3 PRO 68 HB1 PRO 68 -0.364 -8.652 8.940 536 HG2 PRO 68 HG2 PRO 68 -0.849 -6.682 11.130 537 HG3 PRO 68 HG1 PRO 68 -0.220 -8.333 11.230 538 HD2 PRO 68 HD2 PRO 68 1.382 -6.176 11.423 539 HD3 PRO 68 HD1 PRO 68 1.933 -7.673 10.665 540 H GLU 69 HN GLU 69 -0.924 -4.888 9.838 541 HA GLU 69 HA GLU 69 -2.802 -3.981 7.831 542 HB2 GLU 69 HB3 GLU 69 -2.335 -2.964 10.637 543 HB3 GLU 69 HB2 GLU 69 -3.745 -2.673 9.633 544 HG2 GLU 69 HG3 GLU 69 -4.385 -4.993 9.765 545 HG3 GLU 69 HG2 GLU 69 -2.905 -5.387 10.634 546 H GLU 70 HN GLU 70 0.110 -3.011 9.389 547 HA GLU 70 HA GLU 70 0.083 -0.260 8.795 548 HB2 GLU 70 HB3 GLU 70 1.522 -1.589 10.487 549 HB3 GLU 70 HB2 GLU 70 2.567 -1.908 9.116 550 HG2 GLU 70 HG3 GLU 70 3.385 -0.027 10.396 551 HG3 GLU 70 HG2 GLU 70 2.858 0.506 8.794 552 H ALA 71 HN ALA 71 1.682 -3.027 7.236 553 HA ALA 71 HA ALA 71 2.917 -1.850 5.046 554 HB1 ALA 71 HB1 ALA 71 2.628 -3.992 3.941 555 HB2 ALA 71 HB2 ALA 71 1.432 -4.464 5.155 556 HB3 ALA 71 HB3 ALA 71 3.111 -4.188 5.624 557 H TRP 72 HN TRP 72 -0.437 -2.916 5.359 558 HA TRP 72 HA TRP 72 -1.148 -2.284 2.720 559 HB2 TRP 72 HB2 TRP 72 -2.506 -3.867 3.899 560 HB3 TRP 72 HB1 TRP 72 -2.816 -2.722 5.201 561 HD1 TRP 72 HD1 TRP 72 -5.288 -2.153 5.093 562 HE1 TRP 72 HE1 TRP 72 -6.950 -1.422 3.246 563 HE3 TRP 72 HE3 TRP 72 -2.256 -2.582 1.033 564 HZ2 TRP 72 HZ2 TRP 72 -6.950 -1.075 0.518 565 HZ3 TRP 72 HZ3 TRP 72 -3.183 -2.042 -1.210 566 HH2 TRP 72 HH2 TRP 72 -5.483 -1.304 -1.451 567 H ARG 73 HN ARG 73 -1.466 -0.505 5.741 568 HA ARG 73 HA ARG 73 -2.752 1.671 4.591 569 HB2 ARG 73 HB2 ARG 73 -2.816 1.390 6.984 570 HB3 ARG 73 HB1 ARG 73 -1.069 1.525 7.104 571 HG2 ARG 73 HG2 ARG 73 -1.122 3.844 6.608 572 HG3 ARG 73 HG1 ARG 73 -2.808 3.763 6.111 573 HD2 ARG 73 HD2 ARG 73 -2.578 4.781 8.310 574 HD3 ARG 73 HD1 ARG 73 -3.482 3.277 8.393 575 HE ARG 73 HE ARG 73 -0.785 2.716 8.956 576 HH11 ARG 73 HH11 ARG 73 -3.448 4.529 10.453 577 HH12 ARG 73 HH12 ARG 73 -2.916 4.217 12.045 578 HH21 ARG 73 HH21 ARG 73 -0.095 2.366 11.050 579 HH22 ARG 73 HH22 ARG 73 -0.940 2.981 12.417 580 H LEU 74 HN LEU 74 0.669 1.032 5.126 581 HA LEU 74 HA LEU 74 1.777 3.380 4.163 582 HB2 LEU 74 HB2 LEU 74 2.687 0.579 4.406 583 HB3 LEU 74 HB1 LEU 74 3.555 1.550 3.245 584 HG LEU 74 HG LEU 74 4.652 1.397 5.481 585 HD11 LEU 74 HD11 LEU 74 5.194 3.256 4.034 586 HD12 LEU 74 HD12 LEU 74 5.193 3.758 5.705 587 HD13 LEU 74 HD13 LEU 74 3.831 4.184 4.659 588 HD21 LEU 74 HD21 LEU 74 2.323 3.071 6.415 589 HD22 LEU 74 HD22 LEU 74 3.762 2.665 7.352 590 HD23 LEU 74 HD23 LEU 74 2.639 1.395 6.865 591 H ALA 75 HN ALA 75 0.808 0.492 2.327 592 HA ALA 75 HA ALA 75 1.695 1.629 -0.138 593 HB1 ALA 75 HB1 ALA 75 1.584 -0.786 0.103 594 HB2 ALA 75 HB2 ALA 75 0.615 -0.202 -1.249 595 HB3 ALA 75 HB3 ALA 75 -0.177 -0.687 0.250 596 H LEU 76 HN LEU 76 -1.591 1.258 1.220 597 HA LEU 76 HA LEU 76 -2.787 2.345 -1.076 598 HB2 LEU 76 HB2 LEU 76 -4.864 2.444 0.100 599 HB3 LEU 76 HB1 LEU 76 -4.029 1.025 0.662 600 HG LEU 76 HG LEU 76 -3.321 2.609 2.637 601 HD11 LEU 76 HD11 LEU 76 -4.297 4.653 1.771 602 HD12 LEU 76 HD12 LEU 76 -5.133 4.174 3.252 603 HD13 LEU 76 HD13 LEU 76 -5.885 3.887 1.685 604 HD21 LEU 76 HD21 LEU 76 -4.594 0.591 2.924 605 HD22 LEU 76 HD22 LEU 76 -6.053 1.388 2.358 606 HD23 LEU 76 HD23 LEU 76 -5.319 1.879 3.889 607 H SER 77 HN SER 77 -1.669 3.894 1.859 608 HA SER 77 HA SER 77 -2.589 6.456 1.059 609 HB2 SER 77 HB2 SER 77 -0.962 5.342 3.263 610 HB3 SER 77 HB1 SER 77 -1.029 7.123 3.078 611 HG SER 77 HG SER 77 -3.385 6.689 3.084 612 H THR 78 HN THR 78 0.192 4.632 0.190 613 HA THR 78 HA THR 78 1.571 7.053 -0.560 614 HB THR 78 HB THR 78 2.392 4.147 -0.884 615 HG1 THR 78 HG1 THR 78 2.604 4.639 1.190 616 HG21 THR 78 HG21 THR 78 3.988 6.671 -1.390 617 HG22 THR 78 HG22 THR 78 3.438 5.539 -2.628 618 HG23 THR 78 HG23 THR 78 4.630 5.030 -1.428 619 H PHE 79 HN PHE 79 -0.525 4.681 -1.932 620 HA PHE 79 HA PHE 79 0.003 4.902 -4.636 621 HB2 PHE 79 HB2 PHE 79 -2.656 4.611 -3.232 622 HB3 PHE 79 HB1 PHE 79 -2.495 4.483 -4.988 623 HD1 PHE 79 HD2 PHE 79 0.288 2.902 -4.471 624 HD2 PHE 79 HD1 PHE 79 -3.744 2.497 -3.168 625 HE1 PHE 79 HE2 PHE 79 0.641 0.509 -4.108 626 HE2 PHE 79 HE1 PHE 79 -3.391 0.097 -2.810 627 HZ PHE 79 HZ PHE 79 -1.193 -0.905 -3.283 628 H GLU 80 HN GLU 80 -2.166 6.908 -2.674 629 HA GLU 80 HA GLU 80 -2.924 8.690 -4.715 630 HB2 GLU 80 HB3 GLU 80 -3.605 10.221 -2.872 631 HB3 GLU 80 HB2 GLU 80 -4.203 8.579 -2.665 632 HG2 GLU 80 HG3 GLU 80 -2.699 8.108 -1.008 633 HG3 GLU 80 HG2 GLU 80 -1.660 9.469 -1.425 634 H ARG 81 HN ARG 81 -0.062 8.573 -2.752 635 HA ARG 81 HA ARG 81 0.734 11.306 -3.020 636 HB2 ARG 81 HB2 ARG 81 2.495 8.931 -2.427 637 HB3 ARG 81 HB1 ARG 81 2.843 10.619 -2.070 638 HG2 ARG 81 HG2 ARG 81 0.612 9.011 -0.865 639 HG3 ARG 81 HG1 ARG 81 2.171 9.365 -0.118 640 HD2 ARG 81 HD2 ARG 81 1.661 11.571 0.228 641 HD3 ARG 81 HD1 ARG 81 0.455 11.604 -1.064 642 HE ARG 81 HE ARG 81 -1.020 10.347 0.355 643 HH11 ARG 81 HH11 ARG 81 1.786 11.571 2.152 644 HH12 ARG 81 HH12 ARG 81 0.911 11.742 3.590 645 HH21 ARG 81 HH21 ARG 81 -2.144 10.540 2.239 646 HH22 ARG 81 HH22 ARG 81 -1.405 11.114 3.686 647 H ILE 82 HN ILE 82 1.352 8.318 -4.707 648 HA ILE 82 HA ILE 82 3.144 9.635 -6.555 649 HB ILE 82 HB ILE 82 3.553 7.434 -7.520 650 HG12 ILE 82 HG12 ILE 82 1.405 6.396 -5.636 651 HG13 ILE 82 HG11 ILE 82 1.222 6.559 -7.375 652 HG21 ILE 82 HG21 ILE 82 3.442 7.353 -4.502 653 HG22 ILE 82 HG22 ILE 82 4.750 8.017 -5.476 654 HG23 ILE 82 HG23 ILE 82 4.422 6.281 -5.505 655 HD11 ILE 82 HD11 ILE 82 2.978 4.899 -7.709 656 HD12 ILE 82 HD12 ILE 82 1.653 4.259 -6.732 657 HD13 ILE 82 HD13 ILE 82 3.163 4.746 -5.962 658 H ASN 83 HN ASN 83 0.159 10.000 -6.200 659 HA ASN 83 HA ASN 83 -1.509 10.832 -7.386 660 HB2 ASN 83 HB3 ASN 83 0.405 10.667 -9.719 661 HB3 ASN 83 HB2 ASN 83 -1.194 11.406 -9.780 662 HD21 ASN 83 HD21 ASN 83 -1.095 12.619 -7.139 663 HD22 ASN 83 HD22 ASN 83 0.049 13.887 -7.236 664 H ARG 84 HN ARG 84 -1.225 8.047 -6.948 665 HA ARG 84 HA ARG 84 -3.043 7.127 -9.021 666 HB2 ARG 84 HB2 ARG 84 -1.069 5.768 -8.783 667 HB3 ARG 84 HB1 ARG 84 -1.310 5.626 -7.057 668 HG2 ARG 84 HG2 ARG 84 -1.968 3.568 -8.261 669 HG3 ARG 84 HG1 ARG 84 -3.299 4.298 -7.358 670 HD2 ARG 84 HD2 ARG 84 -4.088 3.601 -9.492 671 HD3 ARG 84 HD1 ARG 84 -4.072 5.354 -9.400 672 HE ARG 84 HE ARG 84 -1.637 4.571 -10.502 673 HH11 ARG 84 HH11 ARG 84 -5.010 4.851 -11.503 674 HH12 ARG 84 HH12 ARG 84 -4.689 4.535 -13.141 675 HH21 ARG 84 HH21 ARG 84 -1.196 4.236 -12.714 676 HH22 ARG 84 HH22 ARG 84 -2.476 4.207 -13.860 677 H LYS 85 HN LYS 85 -4.850 8.155 -8.156 678 HA LYS 85 HA LYS 85 -5.480 7.748 -5.363 679 HB2 LYS 85 HB2 LYS 85 -5.592 9.980 -6.316 680 HB3 LYS 85 HB1 LYS 85 -6.802 9.456 -7.490 681 HG2 LYS 85 HG2 LYS 85 -7.627 8.769 -4.890 682 HG3 LYS 85 HG1 LYS 85 -7.183 10.489 -4.885 683 HD2 LYS 85 HD2 LYS 85 -8.704 10.745 -6.875 684 HD3 LYS 85 HD1 LYS 85 -9.197 9.065 -6.640 685 HE2 LYS 85 HE2 LYS 85 -9.910 9.635 -4.347 686 HE3 LYS 85 HE1 LYS 85 -9.510 11.321 -4.666 687 HZ1 LYS 85 HZ1 LYS 85 -11.824 11.021 -4.952 688 HZ2 LYS 85 HZ2 LYS 85 -11.629 9.670 -5.905 689 HZ3 LYS 85 HZ3 LYS 85 -11.191 11.202 -6.513 690 H ASP 86 HN ASP 86 -6.257 6.565 -8.466 691 HA ASP 86 HA ASP 86 -8.857 5.673 -8.264 692 HB2 ASP 86 HB2 ASP 86 -6.679 3.966 -9.476 693 HB3 ASP 86 HB1 ASP 86 -8.360 4.081 -9.962 694 H LEU 87 HN LEU 87 -5.928 3.826 -7.689 695 HA LEU 87 HA LEU 87 -7.245 1.527 -6.601 696 HB2 LEU 87 HB2 LEU 87 -4.337 2.320 -6.382 697 HB3 LEU 87 HB1 LEU 87 -4.987 0.745 -5.984 698 HG LEU 87 HG LEU 87 -4.971 1.977 -8.737 699 HD11 LEU 87 HD11 LEU 87 -2.731 1.442 -7.959 700 HD12 LEU 87 HD12 LEU 87 -3.237 0.322 -9.224 701 HD13 LEU 87 HD13 LEU 87 -3.253 -0.186 -7.535 702 HD21 LEU 87 HD21 LEU 87 -5.626 -0.251 -9.500 703 HD22 LEU 87 HD22 LEU 87 -6.831 0.409 -8.392 704 HD23 LEU 87 HD23 LEU 87 -5.700 -0.816 -7.835 705 H TRP 88 HN TRP 88 -6.126 4.446 -5.280 706 HA TRP 88 HA TRP 88 -5.814 3.737 -2.578 707 HB2 TRP 88 HB2 TRP 88 -4.895 5.753 -3.496 708 HB3 TRP 88 HB1 TRP 88 -6.452 6.306 -4.021 709 HD1 TRP 88 HD1 TRP 88 -4.533 5.705 -0.781 710 HE1 TRP 88 HE1 TRP 88 -5.430 7.340 1.031 711 HE3 TRP 88 HE3 TRP 88 -8.378 7.717 -3.380 712 HZ2 TRP 88 HZ2 TRP 88 -7.509 9.210 1.284 713 HZ3 TRP 88 HZ3 TRP 88 -9.779 9.413 -2.318 714 HH2 TRP 88 HH2 TRP 88 -9.360 10.148 -0.035 715 H GLU 89 HN GLU 89 -8.496 5.066 -4.443 716 HA GLU 89 HA GLU 89 -10.501 5.080 -2.429 717 HB2 GLU 89 HB3 GLU 89 -10.907 4.674 -5.391 718 HB3 GLU 89 HB2 GLU 89 -12.089 5.256 -4.236 719 HG2 GLU 89 HG3 GLU 89 -10.740 7.261 -3.893 720 HG3 GLU 89 HG2 GLU 89 -9.593 6.667 -5.095 721 H ARG 90 HN ARG 90 -9.231 2.666 -4.479 722 HA ARG 90 HA ARG 90 -11.324 0.704 -4.104 723 HB2 ARG 90 HB2 ARG 90 -8.624 0.691 -5.411 724 HB3 ARG 90 HB1 ARG 90 -9.447 -0.815 -5.100 725 HG2 ARG 90 HG2 ARG 90 -9.659 0.082 -7.420 726 HG3 ARG 90 HG1 ARG 90 -11.174 -0.299 -6.635 727 HD2 ARG 90 HD2 ARG 90 -11.612 2.048 -6.263 728 HD3 ARG 90 HD1 ARG 90 -9.990 2.467 -6.806 729 HE ARG 90 HE ARG 90 -11.417 1.073 -8.805 730 HH11 ARG 90 HH11 ARG 90 -11.134 4.301 -7.342 731 HH12 ARG 90 HH12 ARG 90 -11.654 5.129 -8.720 732 HH21 ARG 90 HH21 ARG 90 -12.095 2.255 -10.746 733 HH22 ARG 90 HH22 ARG 90 -12.183 3.944 -10.705 734 H GLY 91 HN GLY 91 -8.774 1.827 -2.253 735 HA2 GLY 91 HA3 GLY 91 -8.364 -0.721 -0.879 736 HA3 GLY 91 HA2 GLY 91 -7.348 0.711 -0.748 737 H GLN 92 HN GLN 92 -7.752 2.186 0.759 738 HA GLN 92 HA GLN 92 -8.552 3.152 2.652 739 HB2 GLN 92 HB2 GLN 92 -11.197 1.969 1.773 740 HB3 GLN 92 HB1 GLN 92 -11.003 3.227 2.987 741 HG2 GLN 92 HG2 GLN 92 -10.237 4.799 1.349 742 HG3 GLN 92 HG1 GLN 92 -10.123 3.542 0.127 743 HE21 GLN 92 HE21 GLN 92 -12.643 2.320 0.836 744 HE22 GLN 92 HE22 GLN 92 -13.880 3.348 0.236 745 H ARG 93 HN ARG 93 -10.386 2.285 4.660 746 HA ARG 93 HA ARG 93 -8.725 0.181 5.616 747 HB2 ARG 93 HB2 ARG 93 -8.854 2.194 6.981 748 HB3 ARG 93 HB1 ARG 93 -10.607 2.089 7.015 749 HG2 ARG 93 HG2 ARG 93 -9.735 1.278 9.106 750 HG3 ARG 93 HG1 ARG 93 -10.429 -0.036 8.140 751 HD2 ARG 93 HD2 ARG 93 -8.237 -0.722 7.420 752 HD3 ARG 93 HD1 ARG 93 -7.496 0.582 8.341 753 HE ARG 93 HE ARG 93 -8.869 -0.666 10.244 754 HH11 ARG 93 HH11 ARG 93 -6.781 -2.127 7.764 755 HH12 ARG 93 HH12 ARG 93 -6.239 -3.378 8.779 756 HH21 ARG 93 HH21 ARG 93 -8.156 -2.428 11.581 757 HH22 ARG 93 HH22 ARG 93 -6.968 -3.516 11.026 758 H GLU 94 HN GLU 94 -9.419 -1.704 5.525 759 HA GLU 94 HA GLU 94 -10.552 -3.540 5.523 760 HB2 GLU 94 HB3 GLU 94 -12.856 -2.046 6.755 761 HB3 GLU 94 HB2 GLU 94 -12.605 -3.787 6.768 762 HG2 GLU 94 HG3 GLU 94 -10.394 -3.219 7.935 763 HG3 GLU 94 HG2 GLU 94 -11.174 -1.652 8.155 764 H ASP 95 HN ASP 95 -13.323 -4.063 5.127 765 HA ASP 95 HA ASP 95 -13.592 -3.220 2.359 766 HB2 ASP 95 HB2 ASP 95 -14.967 -5.118 1.999 767 HB3 ASP 95 HB1 ASP 95 -13.659 -5.708 3.016 768 H LEU 96 HN LEU 96 -15.895 -3.130 1.769 769 HA LEU 96 HA LEU 96 -17.852 -2.178 3.652 770 HB2 LEU 96 HB2 LEU 96 -16.529 -0.111 2.871 771 HB3 LEU 96 HB1 LEU 96 -17.016 -0.504 1.236 772 HG LEU 96 HG LEU 96 -19.371 -0.081 1.833 773 HD11 LEU 96 HD11 LEU 96 -19.292 -0.700 4.192 774 HD12 LEU 96 HD12 LEU 96 -19.912 0.939 3.991 775 HD13 LEU 96 HD13 LEU 96 -18.252 0.686 4.524 776 HD21 LEU 96 HD21 LEU 96 -17.997 1.736 0.955 777 HD22 LEU 96 HD22 LEU 96 -17.484 2.142 2.590 778 HD23 LEU 96 HD23 LEU 96 -19.173 2.337 2.126 779 H VAL 97 HN VAL 97 -16.767 -2.407 0.403 780 HA VAL 97 HA VAL 97 -18.555 -4.663 -0.061 781 HB VAL 97 HB VAL 97 -18.870 -2.774 -1.750 782 HG11 VAL 97 HG11 VAL 97 -15.958 -3.212 -2.376 783 HG12 VAL 97 HG12 VAL 97 -16.661 -1.778 -1.623 784 HG13 VAL 97 HG13 VAL 97 -17.066 -2.183 -3.289 785 HG21 VAL 97 HG21 VAL 97 -17.506 -5.215 -2.881 786 HG22 VAL 97 HG22 VAL 97 -18.522 -4.103 -3.796 787 HG23 VAL 97 HG23 VAL 97 -19.218 -5.070 -2.492 788 H ARG 98 HN ARG 98 -17.202 -6.523 -0.879 789 HA ARG 98 HA ARG 98 -14.555 -6.176 0.235 790 HB2 ARG 98 HB2 ARG 98 -15.900 -8.669 -0.745 791 HB3 ARG 98 HB1 ARG 98 -14.310 -8.622 -0.008 792 HG2 ARG 98 HG2 ARG 98 -15.334 -7.752 2.062 793 HG3 ARG 98 HG1 ARG 98 -16.922 -7.910 1.312 794 HD2 ARG 98 HD2 ARG 98 -16.412 -10.321 0.936 795 HD3 ARG 98 HD1 ARG 98 -14.939 -10.091 1.877 796 HE ARG 98 HE ARG 98 -17.198 -9.213 3.313 797 HH11 ARG 98 HH11 ARG 98 -15.267 -12.035 2.533 798 HH12 ARG 98 HH12 ARG 98 -16.054 -13.082 3.614 799 HH21 ARG 98 HH21 ARG 98 -18.292 -10.636 4.834 800 HH22 ARG 98 HH22 ARG 98 -17.830 -12.282 4.939 801 H ASP 99 HN ASP 99 -12.856 -7.616 -0.987 802 HA ASP 99 HA ASP 99 -12.372 -6.212 -3.404 803 HB2 ASP 99 HB2 ASP 99 -10.895 -8.570 -2.226 804 HB3 ASP 99 HB1 ASP 99 -10.354 -7.626 -3.611 805 H THR 100 HN THR 100 -14.178 -6.758 -4.613 806 HA THR 100 HA THR 100 -14.458 -9.418 -5.622 807 HB THR 100 HB THR 100 -16.152 -8.077 -7.074 808 HG1 THR 100 HG1 THR 100 -16.545 -6.073 -6.404 809 HG21 THR 100 HG21 THR 100 -16.464 -8.207 -4.060 810 HG22 THR 100 HG22 THR 100 -16.774 -9.543 -5.164 811 HG23 THR 100 HG23 THR 100 -17.782 -8.098 -5.228 812 H VAL 101 HN VAL 101 -13.160 -6.345 -6.546 813 HA VAL 101 HA VAL 101 -12.492 -7.348 -9.161 814 HB VAL 101 HB VAL 101 -13.421 -5.153 -9.240 815 HG11 VAL 101 HG11 VAL 101 -12.452 -3.205 -8.067 816 HG12 VAL 101 HG12 VAL 101 -11.408 -4.327 -7.173 817 HG13 VAL 101 HG13 VAL 101 -13.155 -4.432 -7.014 818 HG21 VAL 101 HG21 VAL 101 -10.433 -4.899 -9.619 819 HG22 VAL 101 HG22 VAL 101 -11.641 -3.791 -10.274 820 HG23 VAL 101 HG23 VAL 101 -11.596 -5.468 -10.816 821 H GLU 102 HN GLU 102 -10.985 -8.802 -8.852 822 HA GLU 102 HA GLU 102 -8.365 -7.898 -7.889 823 HB2 GLU 102 HB3 GLU 102 -9.490 -10.701 -7.690 824 HB3 GLU 102 HB2 GLU 102 -7.915 -10.172 -7.137 825 HG2 GLU 102 HG3 GLU 102 -9.022 -8.724 -5.471 826 HG3 GLU 102 HG2 GLU 102 -10.580 -9.364 -5.996 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 8.080 -22.508 2.473 2 H2 GLY 1 HT2 GLY 1 9.110 -21.566 3.399 3 H3 GLY 1 HT3 GLY 1 9.590 -23.132 2.938 4 HA2 GLY 1 HA2 GLY 1 10.688 -21.487 1.585 5 HA3 GLY 1 HA3 GLY 1 9.536 -22.390 0.608 6 H HIS 2 HN HIS 2 9.838 -20.292 -0.687 7 HA HIS 2 HA HIS 2 7.912 -18.413 0.363 8 HB2 HIS 2 HB2 HIS 2 10.553 -17.747 -0.808 9 HB3 HIS 2 HB1 HIS 2 9.212 -16.635 -1.065 10 HD1 HIS 2 HD1 HIS 2 11.739 -17.576 1.439 11 HD2 HIS 2 HD2 HIS 2 8.052 -15.666 1.372 12 HE1 HIS 2 HE1 HIS 2 11.562 -16.320 3.610 13 H MET 3 HN MET 3 6.527 -19.855 -0.777 14 HA MET 3 HA MET 3 6.111 -18.812 -3.481 15 HB2 MET 3 HB2 MET 3 4.834 -21.187 -2.056 16 HB3 MET 3 HB1 MET 3 4.420 -20.653 -3.674 17 HG2 MET 3 HG2 MET 3 6.687 -21.190 -4.429 18 HG3 MET 3 HG1 MET 3 7.091 -21.733 -2.806 19 HE1 MET 3 HE1 MET 3 4.383 -23.252 -1.947 20 HE2 MET 3 HE2 MET 3 6.011 -23.856 -1.644 21 HE3 MET 3 HE3 MET 3 4.809 -24.900 -2.404 22 H LEU 4 HN LEU 4 4.981 -16.996 -3.283 23 HA LEU 4 HA LEU 4 3.666 -15.363 -2.427 24 HB2 LEU 4 HB2 LEU 4 2.129 -17.735 -1.278 25 HB3 LEU 4 HB1 LEU 4 1.594 -16.090 -1.084 26 HG LEU 4 HG LEU 4 1.325 -15.953 -3.578 27 HD11 LEU 4 HD11 LEU 4 1.175 -18.015 -4.860 28 HD12 LEU 4 HD12 LEU 4 1.759 -18.930 -3.470 29 HD13 LEU 4 HD13 LEU 4 2.814 -17.756 -4.258 30 HD21 LEU 4 HD21 LEU 4 -0.753 -17.198 -3.589 31 HD22 LEU 4 HD22 LEU 4 -0.539 -16.335 -2.067 32 HD23 LEU 4 HD23 LEU 4 -0.254 -18.073 -2.144 33 H ARG 5 HN ARG 5 2.420 -15.438 0.251 34 HA ARG 5 HA ARG 5 4.722 -15.978 1.944 35 HB2 ARG 5 HB2 ARG 5 4.622 -13.527 1.592 36 HB3 ARG 5 HB1 ARG 5 2.945 -13.521 2.108 37 HG2 ARG 5 HG2 ARG 5 4.388 -12.697 3.872 38 HG3 ARG 5 HG1 ARG 5 3.638 -14.217 4.354 39 HD2 ARG 5 HD2 ARG 5 5.704 -15.413 3.795 40 HD3 ARG 5 HD1 ARG 5 6.457 -13.896 3.303 41 HE ARG 5 HE ARG 5 5.564 -13.489 5.860 42 HH11 ARG 5 HH11 ARG 5 7.880 -15.741 4.366 43 HH12 ARG 5 HH12 ARG 5 8.815 -15.878 5.773 44 HH21 ARG 5 HH21 ARG 5 6.882 -13.685 7.739 45 HH22 ARG 5 HH22 ARG 5 8.251 -14.693 7.738 46 H THR 6 HN THR 6 3.876 -17.831 2.699 47 HA THR 6 HA THR 6 1.151 -18.247 3.229 48 HB THR 6 HB THR 6 3.505 -19.793 4.325 49 HG1 THR 6 HG1 THR 6 2.119 -19.986 1.845 50 HG21 THR 6 HG21 THR 6 1.311 -20.414 5.270 51 HG22 THR 6 HG22 THR 6 1.937 -21.695 4.231 52 HG23 THR 6 HG23 THR 6 0.670 -20.621 3.642 53 H ALA 7 HN ALA 7 3.902 -17.689 5.424 54 HA ALA 7 HA ALA 7 2.168 -17.547 7.703 55 HB1 ALA 7 HB1 ALA 7 4.451 -18.420 7.925 56 HB2 ALA 7 HB2 ALA 7 4.196 -17.017 8.963 57 HB3 ALA 7 HB3 ALA 7 5.090 -16.846 7.453 58 H GLY 8 HN GLY 8 0.808 -15.922 7.592 59 HA2 GLY 8 HA3 GLY 8 0.261 -13.699 8.153 60 HA3 GLY 8 HA2 GLY 8 1.911 -13.223 7.754 61 H ARG 9 HN ARG 9 -0.667 -14.892 5.998 62 HA ARG 9 HA ARG 9 -0.076 -13.285 3.667 63 HB2 ARG 9 HB2 ARG 9 -1.763 -14.722 2.486 64 HB3 ARG 9 HB1 ARG 9 -0.424 -15.611 3.173 65 HG2 ARG 9 HG2 ARG 9 -2.352 -16.915 3.548 66 HG3 ARG 9 HG1 ARG 9 -1.950 -16.188 5.098 67 HD2 ARG 9 HD2 ARG 9 -3.677 -14.459 4.682 68 HD3 ARG 9 HD1 ARG 9 -4.105 -15.274 3.185 69 HE ARG 9 HE ARG 9 -4.416 -17.240 4.926 70 HH11 ARG 9 HH11 ARG 9 -5.502 -13.870 5.146 71 HH12 ARG 9 HH12 ARG 9 -6.914 -14.215 6.016 72 HH21 ARG 9 HH21 ARG 9 -6.374 -17.715 6.138 73 HH22 ARG 9 HH22 ARG 9 -7.413 -16.450 6.613 74 H ASP 10 HN ASP 10 -2.073 -13.169 6.291 75 HA ASP 10 HA ASP 10 -4.416 -12.034 5.141 76 HB2 ASP 10 HB2 ASP 10 -4.362 -13.215 7.335 77 HB3 ASP 10 HB1 ASP 10 -3.480 -11.845 8.002 78 H GLY 11 HN GLY 11 -4.342 -10.206 4.128 79 HA2 GLY 11 HA3 GLY 11 -4.336 -7.834 4.215 80 HA3 GLY 11 HA2 GLY 11 -3.069 -7.915 5.441 81 H LEU 12 HN LEU 12 -1.545 -9.862 4.221 82 HA LEU 12 HA LEU 12 0.193 -8.381 2.586 83 HB2 LEU 12 HB2 LEU 12 0.806 -10.300 4.070 84 HB3 LEU 12 HB1 LEU 12 -0.016 -11.369 2.967 85 HG LEU 12 HG LEU 12 2.486 -11.429 2.857 86 HD11 LEU 12 HD11 LEU 12 1.140 -10.642 0.286 87 HD12 LEU 12 HD12 LEU 12 1.227 -12.266 0.966 88 HD13 LEU 12 HD13 LEU 12 2.698 -11.456 0.429 89 HD21 LEU 12 HD21 LEU 12 3.645 -9.630 1.690 90 HD22 LEU 12 HD22 LEU 12 2.919 -9.090 3.207 91 HD23 LEU 12 HD23 LEU 12 2.150 -8.699 1.670 92 H CYS 13 HN CYS 13 -2.089 -11.004 1.841 93 HA CYS 13 HA CYS 13 -1.556 -11.075 -0.919 94 HB2 CYS 13 HB2 CYS 13 -2.631 -12.929 0.288 95 HB3 CYS 13 HB1 CYS 13 -4.044 -11.942 0.595 96 HG CYS 13 HG CYS 13 -3.225 -12.332 -2.626 97 H ARG 14 HN ARG 14 -3.929 -9.304 0.967 98 HA ARG 14 HA ARG 14 -5.333 -8.000 -1.102 99 HB2 ARG 14 HB2 ARG 14 -6.066 -8.012 1.215 100 HB3 ARG 14 HB1 ARG 14 -4.636 -7.131 1.708 101 HG2 ARG 14 HG2 ARG 14 -5.440 -5.190 0.391 102 HG3 ARG 14 HG1 ARG 14 -6.924 -6.092 0.047 103 HD2 ARG 14 HD2 ARG 14 -7.197 -4.570 1.966 104 HD3 ARG 14 HD1 ARG 14 -7.396 -6.263 2.438 105 HE ARG 14 HE ARG 14 -4.761 -5.100 2.733 106 HH11 ARG 14 HH11 ARG 14 -7.771 -5.990 4.399 107 HH12 ARG 14 HH12 ARG 14 -7.068 -6.012 5.951 108 HH21 ARG 14 HH21 ARG 14 -3.803 -5.137 4.907 109 HH22 ARG 14 HH22 ARG 14 -4.753 -5.496 6.251 110 H LEU 15 HN LEU 15 -2.410 -7.175 0.665 111 HA LEU 15 HA LEU 15 -1.876 -4.649 -0.367 112 HB2 LEU 15 HB2 LEU 15 -0.963 -5.501 1.687 113 HB3 LEU 15 HB1 LEU 15 -0.162 -6.799 0.840 114 HG LEU 15 HG LEU 15 1.374 -5.184 -0.183 115 HD11 LEU 15 HD11 LEU 15 1.385 -2.900 0.568 116 HD12 LEU 15 HD12 LEU 15 -0.052 -3.192 1.543 117 HD13 LEU 15 HD13 LEU 15 -0.148 -3.270 -0.223 118 HD21 LEU 15 HD21 LEU 15 1.947 -6.248 1.927 119 HD22 LEU 15 HD22 LEU 15 1.125 -4.955 2.802 120 HD23 LEU 15 HD23 LEU 15 2.567 -4.600 1.853 121 H SER 16 HN SER 16 -0.494 -7.848 -1.244 122 HA SER 16 HA SER 16 1.190 -6.865 -3.216 123 HB2 SER 16 HB2 SER 16 1.295 -9.291 -3.924 124 HB3 SER 16 HB1 SER 16 1.667 -8.971 -2.231 125 HG SER 16 HG SER 16 -0.499 -10.282 -3.368 126 H THR 17 HN THR 17 -2.122 -7.990 -3.367 127 HA THR 17 HA THR 17 -2.384 -8.229 -6.116 128 HB THR 17 HB THR 17 -4.529 -7.350 -4.148 129 HG1 THR 17 HG1 THR 17 -3.908 -9.308 -3.452 130 HG21 THR 17 HG21 THR 17 -4.750 -8.658 -6.865 131 HG22 THR 17 HG22 THR 17 -5.176 -6.991 -6.483 132 HG23 THR 17 HG23 THR 17 -6.095 -8.321 -5.777 133 H TYR 18 HN TYR 18 -2.821 -5.305 -4.093 134 HA TYR 18 HA TYR 18 -3.456 -3.741 -6.408 135 HB2 TYR 18 HB2 TYR 18 -3.011 -2.962 -3.537 136 HB3 TYR 18 HB1 TYR 18 -3.247 -1.764 -4.808 137 HD1 TYR 18 HD1 TYR 18 -5.344 -1.881 -6.193 138 HD2 TYR 18 HD2 TYR 18 -4.870 -4.048 -2.571 139 HE1 TYR 18 HE1 TYR 18 -7.773 -2.157 -6.053 140 HE2 TYR 18 HE2 TYR 18 -7.298 -4.329 -2.416 141 HH TYR 18 HH TYR 18 -9.339 -3.251 -3.257 142 H LEU 19 HN LEU 19 -0.570 -4.508 -4.719 143 HA LEU 19 HA LEU 19 0.938 -2.436 -5.936 144 HB2 LEU 19 HB2 LEU 19 1.754 -4.981 -4.549 145 HB3 LEU 19 HB1 LEU 19 2.923 -3.871 -5.234 146 HG LEU 19 HG LEU 19 0.954 -3.083 -3.048 147 HD11 LEU 19 HD11 LEU 19 2.857 -3.161 -1.566 148 HD12 LEU 19 HD12 LEU 19 3.856 -3.834 -2.861 149 HD13 LEU 19 HD13 LEU 19 2.484 -4.750 -2.225 150 HD21 LEU 19 HD21 LEU 19 1.722 -1.229 -4.461 151 HD22 LEU 19 HD22 LEU 19 3.390 -1.714 -4.180 152 HD23 LEU 19 HD23 LEU 19 2.404 -1.135 -2.842 153 H GLU 20 HN GLU 20 -0.064 -5.616 -6.955 154 HA GLU 20 HA GLU 20 1.718 -5.776 -9.199 155 HB2 GLU 20 HB3 GLU 20 -0.918 -7.170 -8.692 156 HB3 GLU 20 HB2 GLU 20 0.129 -7.512 -10.055 157 HG2 GLU 20 HG3 GLU 20 1.883 -8.237 -8.510 158 HG3 GLU 20 HG2 GLU 20 0.807 -7.906 -7.152 159 H GLU 21 HN GLU 21 -0.955 -3.897 -8.532 160 HA GLU 21 HA GLU 21 -1.879 -3.609 -11.260 161 HB2 GLU 21 HB3 GLU 21 -2.626 -2.165 -8.719 162 HB3 GLU 21 HB2 GLU 21 -3.424 -1.953 -10.269 163 HG2 GLU 21 HG3 GLU 21 -3.300 -4.537 -8.736 164 HG3 GLU 21 HG2 GLU 21 -4.644 -3.401 -8.679 165 H LEU 22 HN LEU 22 0.575 -2.371 -9.329 166 HA LEU 22 HA LEU 22 0.574 0.278 -10.483 167 HB2 LEU 22 HB2 LEU 22 2.497 -1.035 -8.550 168 HB3 LEU 22 HB1 LEU 22 2.668 0.579 -9.163 169 HG LEU 22 HG LEU 22 0.457 -0.419 -7.382 170 HD11 LEU 22 HD11 LEU 22 2.571 -0.178 -6.258 171 HD12 LEU 22 HD12 LEU 22 1.494 1.143 -5.790 172 HD13 LEU 22 HD13 LEU 22 2.790 1.429 -6.949 173 HD21 LEU 22 HD21 LEU 22 0.968 2.351 -8.484 174 HD22 LEU 22 HD22 LEU 22 -0.247 1.920 -7.284 175 HD23 LEU 22 HD23 LEU 22 -0.374 1.296 -8.926 176 H GLU 23 HN GLU 23 2.187 1.095 -11.714 177 HA GLU 23 HA GLU 23 3.481 -0.691 -13.588 178 HB2 GLU 23 HB3 GLU 23 3.890 2.277 -13.234 179 HB3 GLU 23 HB2 GLU 23 4.224 1.311 -14.655 180 HG2 GLU 23 HG3 GLU 23 1.494 1.884 -13.559 181 HG3 GLU 23 HG2 GLU 23 2.260 2.745 -14.889 182 H ALA 24 HN ALA 24 5.863 -0.259 -14.005 183 HA ALA 24 HA ALA 24 7.405 -0.743 -11.720 184 HB1 ALA 24 HB1 ALA 24 9.351 -0.456 -13.160 185 HB2 ALA 24 HB2 ALA 24 8.343 0.295 -14.395 186 HB3 ALA 24 HB3 ALA 24 8.106 -1.403 -13.975 187 H VAL 25 HN VAL 25 6.896 2.223 -13.606 188 HA VAL 25 HA VAL 25 8.554 3.896 -12.092 189 HB VAL 25 HB VAL 25 7.648 4.606 -14.285 190 HG11 VAL 25 HG11 VAL 25 5.345 5.407 -14.496 191 HG12 VAL 25 HG12 VAL 25 5.046 4.886 -12.841 192 HG13 VAL 25 HG13 VAL 25 5.397 3.680 -14.090 193 HG21 VAL 25 HG21 VAL 25 8.414 6.348 -12.747 194 HG22 VAL 25 HG22 VAL 25 6.779 6.429 -12.069 195 HG23 VAL 25 HG23 VAL 25 7.060 6.911 -13.739 196 H GLU 26 HN GLU 26 5.265 2.883 -11.574 197 HA GLU 26 HA GLU 26 4.604 4.718 -9.514 198 HB2 GLU 26 HB3 GLU 26 3.512 2.001 -10.177 199 HB3 GLU 26 HB2 GLU 26 2.758 3.146 -9.063 200 HG2 GLU 26 HG3 GLU 26 3.284 3.711 -11.962 201 HG3 GLU 26 HG2 GLU 26 1.760 3.025 -11.381 202 H LEU 27 HN LEU 27 5.650 1.334 -9.543 203 HA LEU 27 HA LEU 27 5.848 0.946 -6.778 204 HB2 LEU 27 HB2 LEU 27 7.397 -0.313 -9.049 205 HB3 LEU 27 HB1 LEU 27 7.409 -0.904 -7.402 206 HG LEU 27 HG LEU 27 4.904 -0.765 -9.081 207 HD11 LEU 27 HD11 LEU 27 6.504 -2.267 -10.136 208 HD12 LEU 27 HD12 LEU 27 5.182 -3.170 -9.406 209 HD13 LEU 27 HD13 LEU 27 6.755 -3.104 -8.600 210 HD21 LEU 27 HD21 LEU 27 4.553 -0.805 -6.661 211 HD22 LEU 27 HD22 LEU 27 5.574 -2.237 -6.531 212 HD23 LEU 27 HD23 LEU 27 4.045 -2.321 -7.405 213 H LYS 28 HN LYS 28 8.135 2.096 -9.143 214 HA LYS 28 HA LYS 28 10.425 2.344 -7.590 215 HB2 LYS 28 HB2 LYS 28 10.279 2.452 -10.074 216 HB3 LYS 28 HB1 LYS 28 9.490 4.003 -9.947 217 HG2 LYS 28 HG2 LYS 28 12.292 3.531 -8.969 218 HG3 LYS 28 HG1 LYS 28 11.934 3.959 -10.637 219 HD2 LYS 28 HD2 LYS 28 10.784 5.994 -9.785 220 HD3 LYS 28 HD1 LYS 28 11.349 5.581 -8.165 221 HE2 LYS 28 HE2 LYS 28 12.881 7.179 -9.125 222 HE3 LYS 28 HE1 LYS 28 13.672 5.607 -9.031 223 HZ1 LYS 28 HZ1 LYS 28 13.152 5.285 -11.412 224 HZ2 LYS 28 HZ2 LYS 28 14.115 6.630 -11.145 225 HZ3 LYS 28 HZ3 LYS 28 12.495 6.837 -11.462 226 H LYS 29 HN LYS 29 7.777 4.623 -8.140 227 HA LYS 29 HA LYS 29 8.890 6.751 -6.579 228 HB2 LYS 29 HB2 LYS 29 6.062 6.144 -7.338 229 HB3 LYS 29 HB1 LYS 29 6.564 7.653 -6.595 230 HG2 LYS 29 HG2 LYS 29 8.051 8.081 -8.619 231 HG3 LYS 29 HG1 LYS 29 7.351 6.642 -9.327 232 HD2 LYS 29 HD2 LYS 29 5.702 9.007 -8.442 233 HD3 LYS 29 HD1 LYS 29 6.316 8.790 -10.082 234 HE2 LYS 29 HE2 LYS 29 5.104 6.680 -10.257 235 HE3 LYS 29 HE1 LYS 29 4.499 6.882 -8.615 236 HZ1 LYS 29 HZ1 LYS 29 3.939 8.791 -10.818 237 HZ2 LYS 29 HZ2 LYS 29 3.123 8.707 -9.326 238 HZ3 LYS 29 HZ3 LYS 29 2.998 7.462 -10.464 239 H PHE 30 HN PHE 30 6.449 4.311 -6.025 240 HA PHE 30 HA PHE 30 5.664 4.976 -3.478 241 HB2 PHE 30 HB2 PHE 30 4.188 3.482 -4.294 242 HB3 PHE 30 HB1 PHE 30 5.383 2.721 -5.316 243 HD1 PHE 30 HD1 PHE 30 3.924 2.746 -1.913 244 HD2 PHE 30 HD2 PHE 30 6.323 0.728 -4.746 245 HE1 PHE 30 HE1 PHE 30 3.867 0.720 -0.500 246 HE2 PHE 30 HE2 PHE 30 6.296 -1.311 -3.335 247 HZ PHE 30 HZ PHE 30 5.057 -1.300 -1.212 248 H LYS 31 HN LYS 31 8.272 2.731 -4.409 249 HA LYS 31 HA LYS 31 8.879 2.101 -1.668 250 HB2 LYS 31 HB2 LYS 31 10.820 0.934 -2.482 251 HB3 LYS 31 HB1 LYS 31 9.451 0.533 -3.507 252 HG2 LYS 31 HG2 LYS 31 10.274 1.961 -5.256 253 HG3 LYS 31 HG1 LYS 31 11.557 2.574 -4.212 254 HD2 LYS 31 HD2 LYS 31 12.518 0.323 -4.082 255 HD3 LYS 31 HD1 LYS 31 11.237 -0.281 -5.129 256 HE2 LYS 31 HE2 LYS 31 12.015 1.130 -6.936 257 HE3 LYS 31 HE1 LYS 31 13.245 1.835 -5.891 258 HZ1 LYS 31 HZ1 LYS 31 14.098 0.093 -7.363 259 HZ2 LYS 31 HZ2 LYS 31 13.103 -1.044 -6.625 260 HZ3 LYS 31 HZ3 LYS 31 14.340 -0.271 -5.747 261 H LEU 32 HN LEU 32 10.113 4.607 -3.788 262 HA LEU 32 HA LEU 32 12.146 5.103 -1.848 263 HB2 LEU 32 HB2 LEU 32 12.784 7.049 -3.126 264 HB3 LEU 32 HB1 LEU 32 12.570 5.679 -4.180 265 HG LEU 32 HG LEU 32 10.242 6.754 -4.702 266 HD11 LEU 32 HD11 LEU 32 10.193 9.177 -4.561 267 HD12 LEU 32 HD12 LEU 32 11.711 9.172 -3.664 268 HD13 LEU 32 HD13 LEU 32 10.263 8.453 -2.955 269 HD21 LEU 32 HD21 LEU 32 12.820 7.963 -5.577 270 HD22 LEU 32 HD22 LEU 32 11.281 8.090 -6.450 271 HD23 LEU 32 HD23 LEU 32 12.076 6.519 -6.254 272 H TYR 33 HN TYR 33 8.946 6.230 -2.449 273 HA TYR 33 HA TYR 33 9.063 8.490 -0.815 274 HB2 TYR 33 HB2 TYR 33 7.211 8.113 -2.392 275 HB3 TYR 33 HB1 TYR 33 6.638 6.780 -1.389 276 HD1 TYR 33 HD2 TYR 33 7.037 10.393 -1.617 277 HD2 TYR 33 HD1 TYR 33 5.540 7.189 0.725 278 HE1 TYR 33 HE2 TYR 33 5.846 11.995 -0.194 279 HE2 TYR 33 HE1 TYR 33 4.363 8.728 2.151 280 HH TYR 33 HH TYR 33 4.640 11.161 2.795 281 H LEU 34 HN LEU 34 8.173 5.172 -0.032 282 HA LEU 34 HA LEU 34 8.028 6.054 2.729 283 HB2 LEU 34 HB2 LEU 34 7.115 3.739 3.168 284 HB3 LEU 34 HB1 LEU 34 6.130 4.868 2.278 285 HG LEU 34 HG LEU 34 6.817 3.685 0.177 286 HD11 LEU 34 HD11 LEU 34 8.802 2.561 0.869 287 HD12 LEU 34 HD12 LEU 34 7.597 1.348 0.416 288 HD13 LEU 34 HD13 LEU 34 7.930 1.688 2.118 289 HD21 LEU 34 HD21 LEU 34 4.688 3.406 1.231 290 HD22 LEU 34 HD22 LEU 34 5.339 2.130 2.267 291 HD23 LEU 34 HD23 LEU 34 5.236 1.889 0.517 292 H GLY 35 HN GLY 35 10.119 4.168 0.732 293 HA2 GLY 35 HA3 GLY 35 11.235 2.756 2.897 294 HA3 GLY 35 HA2 GLY 35 11.901 2.840 1.265 295 H THR 36 HN THR 36 12.185 5.658 1.132 296 HA THR 36 HA THR 36 14.506 5.897 2.928 297 HB THR 36 HB THR 36 15.351 7.649 1.439 298 HG1 THR 36 HG1 THR 36 14.136 8.594 -0.055 299 HG21 THR 36 HG21 THR 36 15.730 5.336 0.667 300 HG22 THR 36 HG22 THR 36 15.509 6.445 -0.697 301 HG23 THR 36 HG23 THR 36 14.196 5.394 -0.208 302 H ALA 37 HN ALA 37 11.479 6.539 3.304 303 HA ALA 37 HA ALA 37 11.093 9.290 3.586 304 HB1 ALA 37 HB1 ALA 37 9.618 7.096 4.970 305 HB2 ALA 37 HB2 ALA 37 9.288 7.721 3.349 306 HB3 ALA 37 HB3 ALA 37 9.077 8.757 4.760 307 H THR 38 HN THR 38 12.030 10.633 4.882 308 HA THR 38 HA THR 38 13.022 9.999 7.451 309 HB THR 38 HB THR 38 12.347 12.705 6.230 310 HG1 THR 38 HG1 THR 38 14.748 11.184 6.195 311 HG21 THR 38 HG21 THR 38 14.070 13.567 7.798 312 HG22 THR 38 HG22 THR 38 14.215 11.950 8.498 313 HG23 THR 38 HG23 THR 38 12.704 12.839 8.638 314 H GLU 39 HN GLU 39 10.097 11.137 6.092 315 HA GLU 39 HA GLU 39 8.788 12.081 8.409 316 HB2 GLU 39 HB3 GLU 39 6.656 11.870 7.147 317 HB3 GLU 39 HB2 GLU 39 7.906 12.710 6.252 318 HG2 GLU 39 HG3 GLU 39 8.327 10.707 4.933 319 HG3 GLU 39 HG2 GLU 39 7.088 9.835 5.840 320 H LEU 40 HN LEU 40 9.294 8.852 7.321 321 HA LEU 40 HA LEU 40 7.262 7.773 9.110 322 HB2 LEU 40 HB2 LEU 40 9.305 6.404 7.400 323 HB3 LEU 40 HB1 LEU 40 8.111 5.589 8.381 324 HG LEU 40 HG LEU 40 7.595 7.336 5.972 325 HD11 LEU 40 HD11 LEU 40 6.797 5.281 4.965 326 HD12 LEU 40 HD12 LEU 40 7.236 4.393 6.427 327 HD13 LEU 40 HD13 LEU 40 8.487 5.153 5.449 328 HD21 LEU 40 HD21 LEU 40 5.791 7.622 7.597 329 HD22 LEU 40 HD22 LEU 40 5.622 5.867 7.725 330 HD23 LEU 40 HD23 LEU 40 5.254 6.683 6.204 331 H GLY 41 HN GLY 41 10.435 8.706 9.257 332 HA2 GLY 41 HA3 GLY 41 11.556 8.776 11.396 333 HA3 GLY 41 HA2 GLY 41 10.804 7.231 11.778 334 H GLU 42 HN GLU 42 13.123 8.794 9.662 335 HA GLU 42 HA GLU 42 15.085 8.241 8.788 336 HB2 GLU 42 HB3 GLU 42 15.029 6.067 10.846 337 HB3 GLU 42 HB2 GLU 42 16.446 6.469 9.880 338 HG2 GLU 42 HG3 GLU 42 15.021 8.279 11.825 339 HG3 GLU 42 HG2 GLU 42 16.569 7.479 12.083 340 H GLY 43 HN GLY 43 12.520 6.326 8.216 341 HA2 GLY 43 HA3 GLY 43 12.125 5.056 6.294 342 HA3 GLY 43 HA2 GLY 43 13.859 5.044 5.983 343 H LYS 44 HN LYS 44 11.289 3.238 7.016 344 HA LYS 44 HA LYS 44 12.692 1.615 8.892 345 HB2 LYS 44 HB2 LYS 44 9.941 1.513 7.781 346 HB3 LYS 44 HB1 LYS 44 10.592 0.049 8.509 347 HG2 LYS 44 HG2 LYS 44 9.315 1.312 10.129 348 HG3 LYS 44 HG1 LYS 44 11.012 1.276 10.583 349 HD2 LYS 44 HD2 LYS 44 11.218 3.541 9.469 350 HD3 LYS 44 HD1 LYS 44 9.455 3.549 9.379 351 HE2 LYS 44 HE2 LYS 44 10.170 4.742 11.329 352 HE3 LYS 44 HE1 LYS 44 9.368 3.232 11.812 353 HZ1 LYS 44 HZ1 LYS 44 12.306 3.662 11.686 354 HZ2 LYS 44 HZ2 LYS 44 11.538 2.256 12.204 355 HZ3 LYS 44 HZ3 LYS 44 11.385 3.664 13.093 356 H ILE 45 HN ILE 45 12.669 1.687 5.579 357 HA ILE 45 HA ILE 45 13.162 -1.174 5.304 358 HB ILE 45 HB ILE 45 12.819 0.959 3.171 359 HG12 ILE 45 HG12 ILE 45 10.716 0.524 4.401 360 HG13 ILE 45 HG11 ILE 45 10.614 -0.025 2.734 361 HG21 ILE 45 HG21 ILE 45 12.988 -2.037 2.888 362 HG22 ILE 45 HG22 ILE 45 14.221 -0.873 2.399 363 HG23 ILE 45 HG23 ILE 45 12.652 -0.893 1.589 364 HD11 ILE 45 HD11 ILE 45 9.558 -1.610 4.225 365 HD12 ILE 45 HD12 ILE 45 11.035 -1.752 5.172 366 HD13 ILE 45 HD13 ILE 45 10.996 -2.331 3.504 367 HA PRO 46 HA PRO 46 17.595 -0.338 5.204 368 HB2 PRO 46 HB2 PRO 46 18.253 -2.556 3.646 369 HB3 PRO 46 HB1 PRO 46 18.146 -2.542 5.405 370 HG2 PRO 46 HG2 PRO 46 16.157 -3.445 3.387 371 HG3 PRO 46 HG1 PRO 46 16.522 -4.137 4.980 372 HD2 PRO 46 HD2 PRO 46 14.334 -2.671 4.527 373 HD3 PRO 46 HD1 PRO 46 15.200 -2.578 6.076 374 H TRP 47 HN TRP 47 19.132 0.339 3.792 375 HA TRP 47 HA TRP 47 18.726 2.174 2.000 376 HB2 TRP 47 HB2 TRP 47 21.007 1.867 1.147 377 HB3 TRP 47 HB1 TRP 47 20.916 1.684 2.891 378 HD1 TRP 47 HD1 TRP 47 21.908 -0.153 -0.252 379 HE1 TRP 47 HE1 TRP 47 22.832 -2.481 0.336 380 HE3 TRP 47 HE3 TRP 47 20.668 -0.299 4.714 381 HZ2 TRP 47 HZ2 TRP 47 23.021 -4.150 2.599 382 HZ3 TRP 47 HZ3 TRP 47 21.255 -2.296 6.006 383 HH2 TRP 47 HH2 TRP 47 22.407 -4.180 4.972 384 H GLY 48 HN GLY 48 19.051 -1.187 0.845 385 HA2 GLY 48 HA3 GLY 48 17.601 -0.440 -1.547 386 HA3 GLY 48 HA2 GLY 48 19.273 -0.929 -1.798 387 H SER 49 HN SER 49 16.540 -2.070 0.148 388 HA SER 49 HA SER 49 17.209 -4.785 -0.734 389 HB2 SER 49 HB2 SER 49 17.036 -4.282 1.709 390 HB3 SER 49 HB1 SER 49 15.344 -3.853 1.475 391 HG SER 49 HG SER 49 15.631 -6.239 0.438 392 H MET 50 HN MET 50 15.391 -2.335 -1.820 393 HA MET 50 HA MET 50 12.967 -3.926 -2.424 394 HB2 MET 50 HB2 MET 50 13.356 -0.931 -2.502 395 HB3 MET 50 HB1 MET 50 11.864 -1.792 -2.846 396 HG2 MET 50 HG2 MET 50 11.651 -2.475 -0.589 397 HG3 MET 50 HG1 MET 50 13.250 -1.837 -0.201 398 HE1 MET 50 HE1 MET 50 13.292 0.955 -1.781 399 HE2 MET 50 HE2 MET 50 13.847 0.739 -0.123 400 HE3 MET 50 HE3 MET 50 12.714 2.032 -0.513 401 H GLU 51 HN GLU 51 15.666 -3.806 -3.851 402 HA GLU 51 HA GLU 51 15.058 -2.332 -6.260 403 HB2 GLU 51 HB3 GLU 51 17.457 -4.030 -5.585 404 HB3 GLU 51 HB2 GLU 51 17.316 -2.889 -6.914 405 HG2 GLU 51 HG3 GLU 51 17.258 -2.207 -3.979 406 HG3 GLU 51 HG2 GLU 51 18.602 -1.939 -5.078 407 H LYS 52 HN LYS 52 15.923 -5.644 -5.443 408 HA LYS 52 HA LYS 52 14.909 -6.643 -7.967 409 HB2 LYS 52 HB2 LYS 52 16.103 -8.022 -5.558 410 HB3 LYS 52 HB1 LYS 52 15.544 -8.862 -6.995 411 HG2 LYS 52 HG2 LYS 52 17.705 -6.768 -6.983 412 HG3 LYS 52 HG1 LYS 52 18.000 -8.500 -6.890 413 HD2 LYS 52 HD2 LYS 52 16.486 -7.204 -9.169 414 HD3 LYS 52 HD1 LYS 52 18.225 -7.416 -9.180 415 HE2 LYS 52 HE2 LYS 52 17.231 -9.223 -10.442 416 HE3 LYS 52 HE1 LYS 52 17.883 -9.885 -8.954 417 HZ1 LYS 52 HZ1 LYS 52 15.001 -9.259 -9.406 418 HZ2 LYS 52 HZ2 LYS 52 15.653 -10.139 -8.095 419 HZ3 LYS 52 HZ3 LYS 52 15.705 -10.751 -9.632 420 H ALA 53 HN ALA 53 13.325 -5.489 -5.571 421 HA ALA 53 HA ALA 53 11.580 -7.699 -4.924 422 HB1 ALA 53 HB1 ALA 53 10.519 -6.134 -3.385 423 HB2 ALA 53 HB2 ALA 53 11.509 -4.824 -4.023 424 HB3 ALA 53 HB3 ALA 53 12.269 -6.156 -3.149 425 H GLY 54 HN GLY 54 9.942 -8.175 -6.212 426 HA2 GLY 54 HA3 GLY 54 8.778 -6.247 -8.006 427 HA3 GLY 54 HA2 GLY 54 8.344 -7.952 -7.791 428 HA PRO 55 HA PRO 55 5.076 -5.155 -5.876 429 HB2 PRO 55 HB2 PRO 55 3.039 -6.834 -6.755 430 HB3 PRO 55 HB1 PRO 55 3.560 -5.349 -7.555 431 HG2 PRO 55 HG2 PRO 55 4.261 -8.180 -8.169 432 HG3 PRO 55 HG1 PRO 55 3.983 -6.829 -9.280 433 HD2 PRO 55 HD2 PRO 55 6.445 -7.722 -8.708 434 HD3 PRO 55 HD1 PRO 55 6.149 -6.000 -8.980 435 H LEU 56 HN LEU 56 5.377 -8.658 -5.993 436 HA LEU 56 HA LEU 56 3.876 -9.115 -3.543 437 HB2 LEU 56 HB2 LEU 56 3.884 -10.778 -5.331 438 HB3 LEU 56 HB1 LEU 56 5.625 -10.904 -5.218 439 HG LEU 56 HG LEU 56 5.384 -11.811 -2.944 440 HD11 LEU 56 HD11 LEU 56 2.451 -11.833 -3.610 441 HD12 LEU 56 HD12 LEU 56 3.239 -10.885 -2.348 442 HD13 LEU 56 HD13 LEU 56 3.195 -12.646 -2.231 443 HD21 LEU 56 HD21 LEU 56 5.693 -13.219 -4.860 444 HD22 LEU 56 HD22 LEU 56 3.960 -13.270 -5.142 445 HD23 LEU 56 HD23 LEU 56 4.641 -14.019 -3.689 446 H GLU 57 HN GLU 57 7.214 -9.064 -4.556 447 HA GLU 57 HA GLU 57 8.353 -9.815 -2.098 448 HB2 GLU 57 HB3 GLU 57 9.451 -8.089 -4.305 449 HB3 GLU 57 HB2 GLU 57 10.404 -8.739 -2.981 450 HG2 GLU 57 HG3 GLU 57 8.890 -10.435 -4.948 451 HG3 GLU 57 HG2 GLU 57 10.584 -9.984 -5.124 452 H MET 58 HN MET 58 7.651 -6.624 -3.513 453 HA MET 58 HA MET 58 8.556 -5.021 -1.411 454 HB2 MET 58 HB2 MET 58 6.354 -4.577 -3.414 455 HB3 MET 58 HB1 MET 58 6.805 -3.334 -2.263 456 HG2 MET 58 HG2 MET 58 9.107 -3.386 -3.201 457 HG3 MET 58 HG1 MET 58 8.563 -4.595 -4.360 458 HE1 MET 58 HE1 MET 58 10.070 -1.972 -5.105 459 HE2 MET 58 HE2 MET 58 9.164 -1.356 -6.482 460 HE3 MET 58 HE3 MET 58 9.518 -3.084 -6.356 461 H ALA 59 HN ALA 59 5.339 -6.359 -1.992 462 HA ALA 59 HA ALA 59 3.998 -5.388 0.194 463 HB1 ALA 59 HB1 ALA 59 2.539 -7.329 -0.014 464 HB2 ALA 59 HB2 ALA 59 3.770 -8.167 -0.955 465 HB3 ALA 59 HB3 ALA 59 2.985 -6.734 -1.616 466 H GLN 60 HN GLN 60 6.055 -8.247 -0.004 467 HA GLN 60 HA GLN 60 5.656 -9.048 2.671 468 HB2 GLN 60 HB2 GLN 60 7.894 -9.741 0.774 469 HB3 GLN 60 HB1 GLN 60 7.552 -10.568 2.290 470 HG2 GLN 60 HG2 GLN 60 5.313 -11.196 1.393 471 HG3 GLN 60 HG1 GLN 60 5.746 -10.392 -0.094 472 HE21 GLN 60 HE21 GLN 60 5.463 -12.243 -1.215 473 HE22 GLN 60 HE22 GLN 60 6.620 -13.519 -1.236 474 H LEU 61 HN LEU 61 8.006 -6.973 1.124 475 HA LEU 61 HA LEU 61 9.687 -6.696 3.364 476 HB2 LEU 61 HB2 LEU 61 9.356 -5.306 0.809 477 HB3 LEU 61 HB1 LEU 61 10.069 -4.298 2.030 478 HG LEU 61 HG LEU 61 11.839 -6.034 2.344 479 HD11 LEU 61 HD11 LEU 61 10.661 -7.992 1.527 480 HD12 LEU 61 HD12 LEU 61 12.159 -7.734 0.636 481 HD13 LEU 61 HD13 LEU 61 10.612 -7.301 -0.094 482 HD21 LEU 61 HD21 LEU 61 12.210 -4.088 0.984 483 HD22 LEU 61 HD22 LEU 61 11.515 -4.909 -0.415 484 HD23 LEU 61 HD23 LEU 61 13.023 -5.492 0.292 485 H LEU 62 HN LEU 62 6.935 -4.643 2.299 486 HA LEU 62 HA LEU 62 7.128 -2.927 4.497 487 HB2 LEU 62 HB2 LEU 62 4.742 -3.645 2.795 488 HB3 LEU 62 HB1 LEU 62 4.651 -2.497 4.104 489 HG LEU 62 HG LEU 62 4.765 -1.261 2.119 490 HD11 LEU 62 HD11 LEU 62 7.489 -1.230 3.308 491 HD12 LEU 62 HD12 LEU 62 6.071 -0.333 3.862 492 HD13 LEU 62 HD13 LEU 62 6.777 0.011 2.278 493 HD21 LEU 62 HD21 LEU 62 6.539 -1.473 0.463 494 HD22 LEU 62 HD22 LEU 62 5.529 -2.923 0.630 495 HD23 LEU 62 HD23 LEU 62 7.136 -2.890 1.345 496 H ILE 63 HN ILE 63 5.397 -5.963 4.071 497 HA ILE 63 HA ILE 63 4.023 -5.863 6.537 498 HB ILE 63 HB ILE 63 3.771 -7.450 4.363 499 HG12 ILE 63 HG12 ILE 63 2.122 -7.115 6.150 500 HG13 ILE 63 HG11 ILE 63 2.113 -8.757 5.522 501 HG21 ILE 63 HG21 ILE 63 4.323 -9.789 4.843 502 HG22 ILE 63 HG22 ILE 63 5.130 -9.287 6.326 503 HG23 ILE 63 HG23 ILE 63 5.771 -8.782 4.765 504 HD11 ILE 63 HD11 ILE 63 1.829 -8.749 7.934 505 HD12 ILE 63 HD12 ILE 63 3.322 -7.828 8.123 506 HD13 ILE 63 HD13 ILE 63 3.381 -9.480 7.510 507 H THR 64 HN THR 64 7.249 -6.911 5.728 508 HA THR 64 HA THR 64 7.717 -8.338 8.146 509 HB THR 64 HB THR 64 9.688 -7.266 6.103 510 HG1 THR 64 HG1 THR 64 8.338 -8.786 5.225 511 HG21 THR 64 HG21 THR 64 11.280 -8.902 7.059 512 HG22 THR 64 HG22 THR 64 10.093 -9.319 8.298 513 HG23 THR 64 HG23 THR 64 10.797 -7.705 8.262 514 H HIS 65 HN HIS 65 8.234 -4.999 7.165 515 HA HIS 65 HA HIS 65 9.619 -4.557 9.702 516 HB2 HIS 65 HB2 HIS 65 9.413 -2.725 7.305 517 HB3 HIS 65 HB1 HIS 65 10.232 -2.302 8.803 518 HD1 HIS 65 HD1 HIS 65 12.519 -3.637 9.315 519 HD2 HIS 65 HD2 HIS 65 10.803 -4.344 5.591 520 HE1 HIS 65 HE1 HIS 65 14.286 -4.758 7.945 521 H PHE 66 HN PHE 66 6.922 -3.112 7.870 522 HA PHE 66 HA PHE 66 6.098 -1.563 10.110 523 HB2 PHE 66 HB2 PHE 66 4.760 -2.144 7.478 524 HB3 PHE 66 HB1 PHE 66 4.213 -0.956 8.659 525 HD1 PHE 66 HD1 PHE 66 5.447 1.084 9.035 526 HD2 PHE 66 HD2 PHE 66 6.728 -1.781 6.173 527 HE1 PHE 66 HE1 PHE 66 6.995 2.730 8.062 528 HE2 PHE 66 HE2 PHE 66 8.247 -0.149 5.205 529 HZ PHE 66 HZ PHE 66 8.404 2.067 6.137 530 H GLY 67 HN GLY 67 4.280 -4.108 8.354 531 HA2 GLY 67 HA3 GLY 67 3.538 -5.886 10.137 532 HA3 GLY 67 HA2 GLY 67 2.647 -4.497 10.757 533 HA PRO 68 HA PRO 68 0.339 -6.875 7.323 534 HB2 PRO 68 HB2 PRO 68 -1.995 -7.193 8.783 535 HB3 PRO 68 HB1 PRO 68 -0.729 -8.413 8.620 536 HG2 PRO 68 HG2 PRO 68 -1.253 -6.505 10.851 537 HG3 PRO 68 HG1 PRO 68 -0.684 -8.183 10.918 538 HD2 PRO 68 HD2 PRO 68 0.973 -6.075 11.270 539 HD3 PRO 68 HD1 PRO 68 1.518 -7.574 10.508 540 H GLU 69 HN GLU 69 -1.342 -4.699 9.609 541 HA GLU 69 HA GLU 69 -2.906 -3.620 7.457 542 HB2 GLU 69 HB3 GLU 69 -2.772 -2.813 10.346 543 HB3 GLU 69 HB2 GLU 69 -3.921 -2.201 9.168 544 HG2 GLU 69 HG3 GLU 69 -3.692 -5.021 10.193 545 HG3 GLU 69 HG2 GLU 69 -4.980 -3.833 10.422 546 H GLU 70 HN GLU 70 -0.139 -2.844 9.307 547 HA GLU 70 HA GLU 70 0.017 -0.080 8.766 548 HB2 GLU 70 HB3 GLU 70 1.251 -1.403 10.557 549 HB3 GLU 70 HB2 GLU 70 2.355 -1.910 9.290 550 HG2 GLU 70 HG3 GLU 70 3.327 -0.065 10.455 551 HG3 GLU 70 HG2 GLU 70 2.846 0.481 8.847 552 H ALA 71 HN ALA 71 1.570 -2.901 7.240 553 HA ALA 71 HA ALA 71 2.907 -1.617 5.122 554 HB1 ALA 71 HB1 ALA 71 1.569 -4.313 5.173 555 HB2 ALA 71 HB2 ALA 71 3.218 -3.971 5.696 556 HB3 ALA 71 HB3 ALA 71 2.770 -3.778 4.000 557 H TRP 72 HN TRP 72 -0.381 -2.687 5.523 558 HA TRP 72 HA TRP 72 -1.182 -2.313 2.871 559 HB2 TRP 72 HB2 TRP 72 -2.474 -3.735 4.338 560 HB3 TRP 72 HB1 TRP 72 -2.794 -2.388 5.425 561 HD1 TRP 72 HD1 TRP 72 -5.314 -1.970 5.231 562 HE1 TRP 72 HE1 TRP 72 -6.960 -1.589 3.283 563 HE3 TRP 72 HE3 TRP 72 -2.183 -2.816 1.303 564 HZ2 TRP 72 HZ2 TRP 72 -6.917 -1.590 0.519 565 HZ3 TRP 72 HZ3 TRP 72 -3.069 -2.615 -0.986 566 HH2 TRP 72 HH2 TRP 72 -5.405 -2.018 -1.364 567 H ARG 73 HN ARG 73 -1.522 -0.265 5.728 568 HA ARG 73 HA ARG 73 -2.698 1.837 4.357 569 HB2 ARG 73 HB2 ARG 73 -2.712 1.767 6.809 570 HB3 ARG 73 HB1 ARG 73 -0.970 1.990 6.839 571 HG2 ARG 73 HG2 ARG 73 -1.275 4.196 5.713 572 HG3 ARG 73 HG1 ARG 73 -3.010 3.992 5.884 573 HD2 ARG 73 HD2 ARG 73 -2.090 5.417 7.626 574 HD3 ARG 73 HD1 ARG 73 -2.791 3.964 8.309 575 HE ARG 73 HE ARG 73 -0.565 3.105 8.627 576 HH11 ARG 73 HH11 ARG 73 -0.716 6.598 7.919 577 HH12 ARG 73 HH12 ARG 73 0.804 6.906 8.609 578 HH21 ARG 73 HH21 ARG 73 1.382 3.572 9.600 579 HH22 ARG 73 HH22 ARG 73 2.010 5.182 9.690 580 H LEU 74 HN LEU 74 0.660 1.134 5.142 581 HA LEU 74 HA LEU 74 1.897 3.370 4.125 582 HB2 LEU 74 HB2 LEU 74 2.724 0.635 4.744 583 HB3 LEU 74 HB1 LEU 74 3.712 1.417 3.533 584 HG LEU 74 HG LEU 74 4.650 1.626 5.804 585 HD11 LEU 74 HD11 LEU 74 5.208 3.294 4.164 586 HD12 LEU 74 HD12 LEU 74 5.063 4.027 5.753 587 HD13 LEU 74 HD13 LEU 74 3.768 4.227 4.571 588 HD21 LEU 74 HD21 LEU 74 2.548 1.716 7.075 589 HD22 LEU 74 HD22 LEU 74 2.213 3.311 6.396 590 HD23 LEU 74 HD23 LEU 74 3.605 3.077 7.453 591 H ALA 75 HN ALA 75 0.885 0.499 2.338 592 HA ALA 75 HA ALA 75 2.053 1.489 -0.069 593 HB1 ALA 75 HB1 ALA 75 -0.049 -0.633 0.276 594 HB2 ALA 75 HB2 ALA 75 1.710 -0.874 0.173 595 HB3 ALA 75 HB3 ALA 75 0.825 -0.258 -1.208 596 H LEU 76 HN LEU 76 -1.390 1.265 0.941 597 HA LEU 76 HA LEU 76 -2.227 2.584 -1.410 598 HB2 LEU 76 HB2 LEU 76 -4.450 2.686 -0.493 599 HB3 LEU 76 HB1 LEU 76 -3.740 1.137 -0.120 600 HG LEU 76 HG LEU 76 -3.233 2.299 2.208 601 HD11 LEU 76 HD11 LEU 76 -5.622 3.839 1.243 602 HD12 LEU 76 HD12 LEU 76 -4.027 4.502 1.587 603 HD13 LEU 76 HD13 LEU 76 -4.995 3.810 2.891 604 HD21 LEU 76 HD21 LEU 76 -5.935 1.340 1.373 605 HD22 LEU 76 HD22 LEU 76 -5.325 1.457 3.021 606 HD23 LEU 76 HD23 LEU 76 -4.575 0.338 1.880 607 H SER 77 HN SER 77 -1.515 3.848 1.782 608 HA SER 77 HA SER 77 -2.322 6.443 1.012 609 HB2 SER 77 HB2 SER 77 -1.296 5.148 3.427 610 HB3 SER 77 HB1 SER 77 -1.176 6.935 3.377 611 HG SER 77 HG SER 77 -3.505 6.573 2.638 612 H THR 78 HN THR 78 0.281 4.729 0.135 613 HA THR 78 HA THR 78 1.805 7.171 -0.256 614 HB THR 78 HB THR 78 2.632 4.266 -0.494 615 HG1 THR 78 HG1 THR 78 3.044 4.624 1.461 616 HG21 THR 78 HG21 THR 78 4.903 5.089 -1.023 617 HG22 THR 78 HG22 THR 78 4.279 6.742 -1.069 618 HG23 THR 78 HG23 THR 78 3.744 5.566 -2.266 619 H PHE 79 HN PHE 79 -0.064 4.670 -1.823 620 HA PHE 79 HA PHE 79 0.492 5.095 -4.487 621 HB2 PHE 79 HB2 PHE 79 -2.228 4.656 -3.208 622 HB3 PHE 79 HB1 PHE 79 -1.958 4.601 -4.939 623 HD1 PHE 79 HD1 PHE 79 0.873 3.078 -3.998 624 HD2 PHE 79 HD2 PHE 79 -3.325 2.476 -3.673 625 HE1 PHE 79 HE1 PHE 79 1.229 0.667 -3.785 626 HE2 PHE 79 HE2 PHE 79 -2.972 0.060 -3.456 627 HZ PHE 79 HZ PHE 79 -0.691 -0.853 -3.509 628 H GLU 80 HN GLU 80 -1.949 6.684 -2.465 629 HA GLU 80 HA GLU 80 -2.799 8.690 -4.208 630 HB2 GLU 80 HB3 GLU 80 -3.456 9.931 -2.109 631 HB3 GLU 80 HB2 GLU 80 -4.060 8.277 -2.225 632 HG2 GLU 80 HG3 GLU 80 -2.588 7.477 -0.716 633 HG3 GLU 80 HG2 GLU 80 -1.494 8.856 -0.856 634 H ARG 81 HN ARG 81 0.062 8.561 -2.203 635 HA ARG 81 HA ARG 81 0.676 11.352 -2.268 636 HB2 ARG 81 HB2 ARG 81 2.456 8.995 -1.704 637 HB3 ARG 81 HB1 ARG 81 2.925 10.667 -1.507 638 HG2 ARG 81 HG2 ARG 81 0.799 9.205 0.045 639 HG3 ARG 81 HG1 ARG 81 2.410 9.664 0.598 640 HD2 ARG 81 HD2 ARG 81 1.144 11.327 1.519 641 HD3 ARG 81 HD1 ARG 81 1.636 12.044 -0.017 642 HE ARG 81 HE ARG 81 -0.992 10.752 0.334 643 HH11 ARG 81 HH11 ARG 81 0.885 13.558 -0.798 644 HH12 ARG 81 HH12 ARG 81 -0.491 14.439 -1.242 645 HH21 ARG 81 HH21 ARG 81 -2.800 11.922 -0.260 646 HH22 ARG 81 HH22 ARG 81 -2.674 13.503 -0.933 647 H ILE 82 HN ILE 82 1.529 8.532 -4.154 648 HA ILE 82 HA ILE 82 3.356 10.097 -5.765 649 HB ILE 82 HB ILE 82 3.979 8.003 -6.858 650 HG12 ILE 82 HG12 ILE 82 1.908 6.684 -5.073 651 HG13 ILE 82 HG11 ILE 82 1.704 6.948 -6.797 652 HG21 ILE 82 HG21 ILE 82 4.894 6.838 -4.863 653 HG22 ILE 82 HG22 ILE 82 3.829 7.822 -3.844 654 HG23 ILE 82 HG23 ILE 82 5.093 8.593 -4.786 655 HD11 ILE 82 HD11 ILE 82 2.320 4.651 -6.281 656 HD12 ILE 82 HD12 ILE 82 3.811 5.222 -5.524 657 HD13 ILE 82 HD13 ILE 82 3.556 5.450 -7.251 658 H ASN 83 HN ASN 83 0.303 10.168 -5.671 659 HA ASN 83 HA ASN 83 -1.259 10.974 -6.970 660 HB2 ASN 83 HB3 ASN 83 0.793 10.884 -9.153 661 HB3 ASN 83 HB2 ASN 83 -0.873 11.405 -9.400 662 HD21 ASN 83 HD21 ASN 83 -1.163 12.735 -6.830 663 HD22 ASN 83 HD22 ASN 83 -0.168 14.139 -6.928 664 H ARG 84 HN ARG 84 -0.711 8.101 -6.632 665 HA ARG 84 HA ARG 84 -2.449 7.219 -8.772 666 HB2 ARG 84 HB2 ARG 84 -0.405 5.972 -8.432 667 HB3 ARG 84 HB1 ARG 84 -0.865 5.603 -6.780 668 HG2 ARG 84 HG2 ARG 84 -1.314 3.697 -8.299 669 HG3 ARG 84 HG1 ARG 84 -2.782 4.310 -7.532 670 HD2 ARG 84 HD2 ARG 84 -3.141 3.864 -9.885 671 HD3 ARG 84 HD1 ARG 84 -3.324 5.570 -9.483 672 HE ARG 84 HE ARG 84 -0.640 5.095 -10.255 673 HH11 ARG 84 HH11 ARG 84 -3.820 5.519 -11.881 674 HH12 ARG 84 HH12 ARG 84 -3.068 5.814 -13.379 675 HH21 ARG 84 HH21 ARG 84 0.234 5.580 -12.187 676 HH22 ARG 84 HH22 ARG 84 -0.705 5.874 -13.598 677 H LYS 85 HN LYS 85 -4.278 8.174 -7.935 678 HA LYS 85 HA LYS 85 -5.100 7.404 -5.275 679 HB2 LYS 85 HB2 LYS 85 -5.116 9.748 -6.010 680 HB3 LYS 85 HB1 LYS 85 -6.372 9.366 -7.193 681 HG2 LYS 85 HG2 LYS 85 -7.844 8.732 -5.330 682 HG3 LYS 85 HG1 LYS 85 -6.556 9.141 -4.193 683 HD2 LYS 85 HD2 LYS 85 -7.978 11.028 -4.233 684 HD3 LYS 85 HD1 LYS 85 -6.593 11.468 -5.230 685 HE2 LYS 85 HE2 LYS 85 -8.486 12.185 -6.422 686 HE3 LYS 85 HE1 LYS 85 -7.971 10.702 -7.222 687 HZ1 LYS 85 HZ1 LYS 85 -10.245 11.071 -5.374 688 HZ2 LYS 85 HZ2 LYS 85 -9.700 9.555 -5.731 689 HZ3 LYS 85 HZ3 LYS 85 -10.305 10.536 -6.971 690 H ASP 86 HN ASP 86 -5.613 6.640 -8.565 691 HA ASP 86 HA ASP 86 -8.223 5.720 -8.779 692 HB2 ASP 86 HB2 ASP 86 -5.795 4.297 -9.923 693 HB3 ASP 86 HB1 ASP 86 -7.450 4.070 -10.449 694 H LEU 87 HN LEU 87 -5.406 3.875 -7.835 695 HA LEU 87 HA LEU 87 -6.936 1.528 -7.163 696 HB2 LEU 87 HB2 LEU 87 -4.018 2.133 -6.738 697 HB3 LEU 87 HB1 LEU 87 -4.770 0.557 -6.576 698 HG LEU 87 HG LEU 87 -4.644 2.124 -9.151 699 HD11 LEU 87 HD11 LEU 87 -2.983 -0.180 -8.183 700 HD12 LEU 87 HD12 LEU 87 -2.438 1.478 -8.442 701 HD13 LEU 87 HD13 LEU 87 -2.952 0.493 -9.813 702 HD21 LEU 87 HD21 LEU 87 -6.534 0.578 -9.057 703 HD22 LEU 87 HD22 LEU 87 -5.454 -0.730 -8.573 704 HD23 LEU 87 HD23 LEU 87 -5.303 -0.009 -10.175 705 H TRP 88 HN TRP 88 -5.792 4.269 -5.583 706 HA TRP 88 HA TRP 88 -5.615 3.362 -2.925 707 HB2 TRP 88 HB2 TRP 88 -4.578 5.399 -3.661 708 HB3 TRP 88 HB1 TRP 88 -6.082 6.044 -4.216 709 HD1 TRP 88 HD1 TRP 88 -4.316 5.224 -0.961 710 HE1 TRP 88 HE1 TRP 88 -5.297 6.725 0.921 711 HE3 TRP 88 HE3 TRP 88 -8.115 7.365 -3.549 712 HZ2 TRP 88 HZ2 TRP 88 -7.396 8.531 1.225 713 HZ3 TRP 88 HZ3 TRP 88 -9.556 8.959 -2.413 714 HH2 TRP 88 HH2 TRP 88 -9.212 9.540 -0.068 715 H GLU 89 HN GLU 89 -8.134 4.910 -4.813 716 HA GLU 89 HA GLU 89 -10.271 5.058 -3.068 717 HB2 GLU 89 HB3 GLU 89 -10.351 4.257 -5.982 718 HB3 GLU 89 HB2 GLU 89 -11.723 4.816 -5.045 719 HG2 GLU 89 HG3 GLU 89 -9.258 6.431 -5.635 720 HG3 GLU 89 HG2 GLU 89 -10.752 6.541 -6.548 721 H ARG 90 HN ARG 90 -9.220 2.382 -5.051 722 HA ARG 90 HA ARG 90 -11.289 0.543 -4.350 723 HB2 ARG 90 HB2 ARG 90 -8.565 -0.097 -5.470 724 HB3 ARG 90 HB1 ARG 90 -9.994 -1.109 -5.527 725 HG2 ARG 90 HG2 ARG 90 -11.063 0.570 -7.014 726 HG3 ARG 90 HG1 ARG 90 -9.559 1.488 -6.979 727 HD2 ARG 90 HD2 ARG 90 -8.360 -0.471 -7.875 728 HD3 ARG 90 HD1 ARG 90 -9.891 -1.333 -7.986 729 HE ARG 90 HE ARG 90 -10.066 1.116 -9.357 730 HH11 ARG 90 HH11 ARG 90 -8.614 -2.099 -9.684 731 HH12 ARG 90 HH12 ARG 90 -8.583 -2.067 -11.379 732 HH21 ARG 90 HH21 ARG 90 -9.964 1.186 -11.666 733 HH22 ARG 90 HH22 ARG 90 -9.372 -0.143 -12.552 734 H GLY 91 HN GLY 91 -8.202 1.349 -3.036 735 HA2 GLY 91 HA3 GLY 91 -7.668 -1.037 -1.653 736 HA3 GLY 91 HA2 GLY 91 -6.940 0.524 -1.332 737 H GLN 92 HN GLN 92 -8.348 2.069 -0.119 738 HA GLN 92 HA GLN 92 -9.322 2.672 1.884 739 HB2 GLN 92 HB2 GLN 92 -10.845 0.045 1.702 740 HB3 GLN 92 HB1 GLN 92 -11.194 1.372 2.797 741 HG2 GLN 92 HG2 GLN 92 -11.743 2.773 0.852 742 HG3 GLN 92 HG1 GLN 92 -11.473 1.385 -0.200 743 HE21 GLN 92 HE21 GLN 92 -13.566 1.307 -0.939 744 HE22 GLN 92 HE22 GLN 92 -14.914 0.859 0.048 745 H ARG 93 HN ARG 93 -7.998 2.806 3.445 746 HA ARG 93 HA ARG 93 -6.423 0.666 4.521 747 HB2 ARG 93 HB2 ARG 93 -5.910 2.271 6.344 748 HB3 ARG 93 HB1 ARG 93 -5.708 2.994 4.754 749 HG2 ARG 93 HG2 ARG 93 -7.777 4.144 4.933 750 HG3 ARG 93 HG1 ARG 93 -8.187 3.273 6.406 751 HD2 ARG 93 HD2 ARG 93 -7.504 5.481 6.929 752 HD3 ARG 93 HD1 ARG 93 -6.315 4.301 7.514 753 HE ARG 93 HE ARG 93 -5.622 5.393 4.966 754 HH11 ARG 93 HH11 ARG 93 -5.515 6.051 8.464 755 HH12 ARG 93 HH12 ARG 93 -4.219 7.136 8.368 756 HH21 ARG 93 HH21 ARG 93 -3.780 6.846 4.852 757 HH22 ARG 93 HH22 ARG 93 -3.244 7.626 6.282 758 H GLU 94 HN GLU 94 -9.588 1.638 4.929 759 HA GLU 94 HA GLU 94 -10.049 -0.164 7.133 760 HB2 GLU 94 HB3 GLU 94 -11.617 1.597 8.057 761 HB3 GLU 94 HB2 GLU 94 -9.913 2.022 8.171 762 HG2 GLU 94 HG3 GLU 94 -10.236 3.360 6.047 763 HG3 GLU 94 HG2 GLU 94 -11.957 3.072 6.231 764 H ASP 95 HN ASP 95 -11.576 -1.527 6.444 765 HA ASP 95 HA ASP 95 -12.980 -1.100 3.983 766 HB2 ASP 95 HB2 ASP 95 -13.259 -3.148 6.126 767 HB3 ASP 95 HB1 ASP 95 -14.241 -3.161 4.669 768 H LEU 96 HN LEU 96 -14.285 0.444 4.039 769 HA LEU 96 HA LEU 96 -16.284 0.587 6.194 770 HB2 LEU 96 HB2 LEU 96 -14.486 2.079 6.649 771 HB3 LEU 96 HB1 LEU 96 -14.638 2.817 5.073 772 HG LEU 96 HG LEU 96 -16.963 3.563 5.766 773 HD11 LEU 96 HD11 LEU 96 -17.415 3.708 8.170 774 HD12 LEU 96 HD12 LEU 96 -15.979 2.742 8.487 775 HD13 LEU 96 HD13 LEU 96 -17.332 2.043 7.598 776 HD21 LEU 96 HD21 LEU 96 -15.088 5.098 5.689 777 HD22 LEU 96 HD22 LEU 96 -14.608 4.623 7.316 778 HD23 LEU 96 HD23 LEU 96 -16.137 5.466 7.056 779 H VAL 97 HN VAL 97 -15.468 2.293 3.251 780 HA VAL 97 HA VAL 97 -18.271 2.643 2.848 781 HB VAL 97 HB VAL 97 -16.908 4.610 2.489 782 HG11 VAL 97 HG11 VAL 97 -14.855 3.671 1.689 783 HG12 VAL 97 HG12 VAL 97 -15.440 4.881 0.540 784 HG13 VAL 97 HG13 VAL 97 -15.638 3.162 0.196 785 HG21 VAL 97 HG21 VAL 97 -17.791 5.314 0.261 786 HG22 VAL 97 HG22 VAL 97 -18.982 4.572 1.326 787 HG23 VAL 97 HG23 VAL 97 -18.298 3.639 0.001 788 H ARG 98 HN ARG 98 -18.948 0.709 2.536 789 HA ARG 98 HA ARG 98 -19.930 -0.939 1.394 790 HB2 ARG 98 HB2 ARG 98 -19.432 0.829 -1.004 791 HB3 ARG 98 HB1 ARG 98 -20.518 -0.556 -0.980 792 HG2 ARG 98 HG2 ARG 98 -20.788 1.891 0.764 793 HG3 ARG 98 HG1 ARG 98 -21.709 1.589 -0.708 794 HD2 ARG 98 HD2 ARG 98 -22.740 -0.339 0.262 795 HD3 ARG 98 HD1 ARG 98 -21.715 -0.254 1.688 796 HE ARG 98 HE ARG 98 -22.881 2.065 1.866 797 HH11 ARG 98 HH11 ARG 98 -24.395 -0.965 0.872 798 HH12 ARG 98 HH12 ARG 98 -25.859 -0.651 1.682 799 HH21 ARG 98 HH21 ARG 98 -24.903 2.470 3.005 800 HH22 ARG 98 HH22 ARG 98 -26.139 1.306 2.927 801 H ASP 99 HN ASP 99 -17.800 -0.307 -1.314 802 HA ASP 99 HA ASP 99 -15.893 -2.302 -0.932 803 HB2 ASP 99 HB2 ASP 99 -17.819 -3.863 -0.946 804 HB3 ASP 99 HB1 ASP 99 -18.320 -3.232 -2.502 805 H THR 100 HN THR 100 -18.128 -1.768 -3.579 806 HA THR 100 HA THR 100 -15.982 -1.095 -5.381 807 HB THR 100 HB THR 100 -18.925 -1.227 -5.975 808 HG1 THR 100 HG1 THR 100 -17.140 -3.276 -5.248 809 HG21 THR 100 HG21 THR 100 -18.103 -2.017 -8.164 810 HG22 THR 100 HG22 THR 100 -16.441 -1.897 -7.576 811 HG23 THR 100 HG23 THR 100 -17.419 -0.445 -7.752 812 H VAL 101 HN VAL 101 -15.396 0.985 -4.911 813 HA VAL 101 HA VAL 101 -17.375 3.041 -5.445 814 HB VAL 101 HB VAL 101 -15.336 3.315 -3.197 815 HG11 VAL 101 HG11 VAL 101 -17.632 5.106 -3.987 816 HG12 VAL 101 HG12 VAL 101 -15.927 5.417 -4.289 817 HG13 VAL 101 HG13 VAL 101 -16.532 5.373 -2.633 818 HG21 VAL 101 HG21 VAL 101 -18.318 2.922 -2.947 819 HG22 VAL 101 HG22 VAL 101 -17.185 3.198 -1.619 820 HG23 VAL 101 HG23 VAL 101 -17.091 1.716 -2.572 821 H GLU 102 HN GLU 102 -16.418 2.944 -7.456 822 HA GLU 102 HA GLU 102 -14.107 4.646 -7.648 823 HB2 GLU 102 HB3 GLU 102 -13.309 3.249 -9.638 824 HB3 GLU 102 HB2 GLU 102 -13.028 2.549 -8.054 825 HG2 GLU 102 HG3 GLU 102 -14.778 0.981 -8.343 826 HG3 GLU 102 HG2 GLU 102 -15.391 1.832 -9.758 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 5.927 -21.494 5.151 2 H2 GLY 1 HT2 GLY 1 4.978 -22.245 3.970 3 H3 GLY 1 HT3 GLY 1 6.172 -23.127 4.803 4 HA2 GLY 1 HA2 GLY 1 3.936 -23.598 5.608 5 HA3 GLY 1 HA3 GLY 1 4.983 -22.912 6.844 6 H HIS 2 HN HIS 2 2.336 -22.691 7.236 7 HA HIS 2 HA HIS 2 1.704 -19.978 6.308 8 HB2 HIS 2 HB2 HIS 2 -0.677 -20.468 6.633 9 HB3 HIS 2 HB1 HIS 2 0.052 -21.639 5.550 10 HD1 HIS 2 HD1 HIS 2 -2.235 -21.487 8.296 11 HD2 HIS 2 HD2 HIS 2 0.752 -24.133 7.121 12 HE1 HIS 2 HE1 HIS 2 -2.732 -23.671 9.447 13 H MET 3 HN MET 3 2.698 -21.640 9.008 14 HA MET 3 HA MET 3 1.422 -19.690 10.775 15 HB2 MET 3 HB2 MET 3 2.503 -22.425 11.434 16 HB3 MET 3 HB1 MET 3 1.963 -21.270 12.646 17 HG2 MET 3 HG2 MET 3 -0.266 -21.254 11.602 18 HG3 MET 3 HG1 MET 3 0.280 -22.474 10.459 19 HE1 MET 3 HE1 MET 3 -0.567 -21.653 14.188 20 HE2 MET 3 HE2 MET 3 1.102 -22.208 14.356 21 HE3 MET 3 HE3 MET 3 -0.220 -23.176 15.003 22 H LEU 4 HN LEU 4 3.939 -19.536 9.158 23 HA LEU 4 HA LEU 4 5.812 -18.862 11.307 24 HB2 LEU 4 HB2 LEU 4 6.211 -18.987 8.298 25 HB3 LEU 4 HB1 LEU 4 7.431 -18.419 9.409 26 HG LEU 4 HG LEU 4 8.028 -20.602 8.752 27 HD11 LEU 4 HD11 LEU 4 8.059 -21.856 10.828 28 HD12 LEU 4 HD12 LEU 4 6.863 -20.753 11.505 29 HD13 LEU 4 HD13 LEU 4 8.462 -20.156 11.055 30 HD21 LEU 4 HD21 LEU 4 6.599 -22.575 9.020 31 HD22 LEU 4 HD22 LEU 4 5.894 -21.394 7.915 32 HD23 LEU 4 HD23 LEU 4 5.281 -21.533 9.563 33 H ARG 5 HN ARG 5 5.111 -17.001 12.109 34 HA ARG 5 HA ARG 5 4.395 -14.911 12.320 35 HB2 ARG 5 HB2 ARG 5 6.104 -14.583 9.866 36 HB3 ARG 5 HB1 ARG 5 5.237 -13.221 10.562 37 HG2 ARG 5 HG2 ARG 5 7.205 -14.921 12.073 38 HG3 ARG 5 HG1 ARG 5 7.611 -13.399 11.272 39 HD2 ARG 5 HD2 ARG 5 5.579 -13.759 13.488 40 HD3 ARG 5 HD1 ARG 5 7.182 -13.046 13.653 41 HE ARG 5 HE ARG 5 6.176 -11.488 11.801 42 HH11 ARG 5 HH11 ARG 5 4.594 -12.620 14.780 43 HH12 ARG 5 HH12 ARG 5 3.640 -11.236 14.958 44 HH21 ARG 5 HH21 ARG 5 4.803 -9.583 12.042 45 HH22 ARG 5 HH22 ARG 5 3.734 -9.469 13.353 46 H THR 6 HN THR 6 2.338 -15.751 12.083 47 HA THR 6 HA THR 6 0.921 -15.610 9.653 48 HB THR 6 HB THR 6 -1.071 -15.764 11.236 49 HG1 THR 6 HG1 THR 6 0.434 -14.869 12.964 50 HG21 THR 6 HG21 THR 6 1.120 -17.820 11.484 51 HG22 THR 6 HG22 THR 6 -0.070 -17.747 10.183 52 HG23 THR 6 HG23 THR 6 -0.584 -18.102 11.834 53 H ALA 7 HN ALA 7 0.576 -13.721 8.687 54 HA ALA 7 HA ALA 7 0.151 -11.294 10.168 55 HB1 ALA 7 HB1 ALA 7 1.198 -11.214 7.944 56 HB2 ALA 7 HB2 ALA 7 -0.338 -10.344 7.925 57 HB3 ALA 7 HB3 ALA 7 -0.235 -11.962 7.235 58 H GLY 8 HN GLY 8 -1.995 -10.135 9.953 59 HA2 GLY 8 HA3 GLY 8 -4.121 -11.966 10.527 60 HA3 GLY 8 HA2 GLY 8 -4.253 -10.220 10.461 61 H ARG 9 HN ARG 9 -3.043 -12.089 7.783 62 HA ARG 9 HA ARG 9 -3.701 -12.572 5.687 63 HB2 ARG 9 HB2 ARG 9 -5.568 -13.683 6.873 64 HB3 ARG 9 HB1 ARG 9 -6.520 -12.224 6.693 65 HG2 ARG 9 HG2 ARG 9 -6.417 -12.459 4.260 66 HG3 ARG 9 HG1 ARG 9 -5.483 -13.945 4.443 67 HD2 ARG 9 HD2 ARG 9 -8.319 -13.417 5.311 68 HD3 ARG 9 HD1 ARG 9 -7.752 -14.575 4.108 69 HE ARG 9 HE ARG 9 -6.590 -15.096 6.637 70 HH11 ARG 9 HH11 ARG 9 -9.481 -15.702 4.723 71 HH12 ARG 9 HH12 ARG 9 -10.106 -16.876 5.792 72 HH21 ARG 9 HH21 ARG 9 -7.454 -16.683 8.118 73 HH22 ARG 9 HH22 ARG 9 -8.910 -17.456 7.770 74 H ASP 10 HN ASP 10 -5.509 -9.945 7.021 75 HA ASP 10 HA ASP 10 -6.322 -8.643 4.661 76 HB2 ASP 10 HB2 ASP 10 -6.962 -8.497 7.252 77 HB3 ASP 10 HB1 ASP 10 -5.872 -7.123 7.166 78 H GLY 11 HN GLY 11 -3.384 -8.597 6.410 79 HA2 GLY 11 HA3 GLY 11 -2.470 -6.106 5.226 80 HA3 GLY 11 HA2 GLY 11 -1.575 -7.088 6.372 81 H LEU 12 HN LEU 12 -2.682 -9.193 3.977 82 HA LEU 12 HA LEU 12 -0.524 -8.676 2.215 83 HB2 LEU 12 HB2 LEU 12 -1.046 -11.008 3.935 84 HB3 LEU 12 HB1 LEU 12 -0.615 -11.331 2.275 85 HG LEU 12 HG LEU 12 1.019 -9.798 4.311 86 HD11 LEU 12 HD11 LEU 12 0.991 -12.174 4.775 87 HD12 LEU 12 HD12 LEU 12 2.581 -11.694 4.168 88 HD13 LEU 12 HD13 LEU 12 1.441 -12.523 3.107 89 HD21 LEU 12 HD21 LEU 12 2.835 -9.878 2.600 90 HD22 LEU 12 HD22 LEU 12 1.464 -8.895 2.111 91 HD23 LEU 12 HD23 LEU 12 1.659 -10.513 1.448 92 H CYS 13 HN CYS 13 -0.952 -10.566 0.531 93 HA CYS 13 HA CYS 13 -2.137 -11.298 -1.189 94 HB2 CYS 13 HB2 CYS 13 -3.478 -12.507 0.522 95 HB3 CYS 13 HB1 CYS 13 -4.549 -11.123 0.649 96 HG CYS 13 HG CYS 13 -5.285 -11.403 -2.185 97 H ARG 14 HN ARG 14 -4.397 -9.007 0.325 98 HA ARG 14 HA ARG 14 -5.353 -7.791 -2.029 99 HB2 ARG 14 HB2 ARG 14 -6.432 -7.617 0.184 100 HB3 ARG 14 HB1 ARG 14 -5.086 -6.640 0.751 101 HG2 ARG 14 HG2 ARG 14 -5.668 -4.978 -1.038 102 HG3 ARG 14 HG1 ARG 14 -7.127 -5.917 -1.337 103 HD2 ARG 14 HD2 ARG 14 -6.328 -4.599 1.246 104 HD3 ARG 14 HD1 ARG 14 -7.615 -4.080 0.164 105 HE ARG 14 HE ARG 14 -8.583 -6.338 0.643 106 HH11 ARG 14 HH11 ARG 14 -6.699 -4.478 3.038 107 HH12 ARG 14 HH12 ARG 14 -7.370 -5.285 4.377 108 HH21 ARG 14 HH21 ARG 14 -9.527 -7.385 2.532 109 HH22 ARG 14 HH22 ARG 14 -8.988 -6.941 4.095 110 H LEU 15 HN LEU 15 -2.740 -7.043 0.186 111 HA LEU 15 HA LEU 15 -1.882 -4.612 -0.790 112 HB2 LEU 15 HB2 LEU 15 -1.169 -5.625 1.325 113 HB3 LEU 15 HB1 LEU 15 -0.344 -6.896 0.457 114 HG LEU 15 HG LEU 15 1.295 -5.268 -0.376 115 HD11 LEU 15 HD11 LEU 15 -0.168 -3.300 -0.412 116 HD12 LEU 15 HD12 LEU 15 1.316 -3.012 0.498 117 HD13 LEU 15 HD13 LEU 15 -0.192 -3.318 1.352 118 HD21 LEU 15 HD21 LEU 15 1.724 -6.445 1.709 119 HD22 LEU 15 HD22 LEU 15 0.878 -5.181 2.603 120 HD23 LEU 15 HD23 LEU 15 2.380 -4.807 1.760 121 H SER 16 HN SER 16 -0.786 -7.901 -1.624 122 HA SER 16 HA SER 16 1.015 -7.279 -3.610 123 HB2 SER 16 HB2 SER 16 -0.738 -9.722 -3.499 124 HB3 SER 16 HB1 SER 16 0.957 -9.605 -3.990 125 HG SER 16 HG SER 16 0.936 -10.416 -1.930 126 H THR 17 HN THR 17 -2.495 -7.963 -3.738 127 HA THR 17 HA THR 17 -2.853 -7.997 -6.525 128 HB THR 17 HB THR 17 -4.861 -7.118 -4.418 129 HG1 THR 17 HG1 THR 17 -3.662 -9.498 -4.748 130 HG21 THR 17 HG21 THR 17 -5.271 -8.351 -7.149 131 HG22 THR 17 HG22 THR 17 -5.621 -6.683 -6.705 132 HG23 THR 17 HG23 THR 17 -6.548 -7.999 -5.986 133 H TYR 18 HN TYR 18 -2.720 -5.334 -4.259 134 HA TYR 18 HA TYR 18 -3.571 -3.411 -6.228 135 HB2 TYR 18 HB2 TYR 18 -2.729 -3.200 -3.351 136 HB3 TYR 18 HB1 TYR 18 -2.869 -1.758 -4.349 137 HD1 TYR 18 HD2 TYR 18 -4.919 -4.839 -3.857 138 HD2 TYR 18 HD1 TYR 18 -4.821 -0.614 -3.969 139 HE1 TYR 18 HE2 TYR 18 -7.357 -4.782 -3.505 140 HE2 TYR 18 HE1 TYR 18 -7.229 -0.531 -3.624 141 HH TYR 18 HH TYR 18 -9.048 -3.217 -2.667 142 H LEU 19 HN LEU 19 -0.561 -4.223 -4.588 143 HA LEU 19 HA LEU 19 0.948 -2.235 -5.870 144 HB2 LEU 19 HB2 LEU 19 1.748 -4.776 -4.482 145 HB3 LEU 19 HB1 LEU 19 2.920 -3.648 -5.138 146 HG LEU 19 HG LEU 19 0.907 -2.922 -2.969 147 HD11 LEU 19 HD11 LEU 19 2.799 -2.973 -1.475 148 HD12 LEU 19 HD12 LEU 19 3.823 -3.620 -2.766 149 HD13 LEU 19 HD13 LEU 19 2.458 -4.559 -2.151 150 HD21 LEU 19 HD21 LEU 19 1.641 -1.051 -4.382 151 HD22 LEU 19 HD22 LEU 19 3.319 -1.467 -4.050 152 HD23 LEU 19 HD23 LEU 19 2.267 -0.933 -2.745 153 H GLU 20 HN GLU 20 -0.069 -5.355 -6.985 154 HA GLU 20 HA GLU 20 1.903 -5.526 -9.014 155 HB2 GLU 20 HB3 GLU 20 0.551 -7.335 -10.011 156 HB3 GLU 20 HB2 GLU 20 0.772 -7.547 -8.282 157 HG2 GLU 20 HG3 GLU 20 -1.414 -6.844 -7.831 158 HG3 GLU 20 HG2 GLU 20 -1.661 -6.366 -9.510 159 H GLU 21 HN GLU 21 -0.789 -3.482 -8.750 160 HA GLU 21 HA GLU 21 -1.006 -3.191 -11.618 161 HB2 GLU 21 HB3 GLU 21 -2.473 -1.854 -9.361 162 HB3 GLU 21 HB2 GLU 21 -2.548 -1.213 -10.993 163 HG2 GLU 21 HG3 GLU 21 -3.372 -3.462 -11.739 164 HG3 GLU 21 HG2 GLU 21 -3.465 -3.899 -10.033 165 H LEU 22 HN LEU 22 1.109 -2.161 -9.360 166 HA LEU 22 HA LEU 22 1.505 0.440 -10.588 167 HB2 LEU 22 HB2 LEU 22 2.999 -0.911 -8.350 168 HB3 LEU 22 HB1 LEU 22 3.338 0.695 -8.947 169 HG LEU 22 HG LEU 22 0.872 -0.216 -7.471 170 HD11 LEU 22 HD11 LEU 22 2.773 0.101 -6.044 171 HD12 LEU 22 HD12 LEU 22 1.651 1.453 -5.828 172 HD13 LEU 22 HD13 LEU 22 3.113 1.663 -6.783 173 HD21 LEU 22 HD21 LEU 22 1.507 2.494 -8.638 174 HD22 LEU 22 HD22 LEU 22 0.167 2.127 -7.555 175 HD23 LEU 22 HD23 LEU 22 0.216 1.408 -9.166 176 H GLU 23 HN GLU 23 3.074 0.888 -11.978 177 HA GLU 23 HA GLU 23 4.562 -1.176 -13.276 178 HB2 GLU 23 HB3 GLU 23 5.008 1.818 -13.308 179 HB3 GLU 23 HB2 GLU 23 5.677 0.663 -14.442 180 HG2 GLU 23 HG3 GLU 23 2.768 1.313 -14.103 181 HG3 GLU 23 HG2 GLU 23 3.847 1.910 -15.367 182 H ALA 24 HN ALA 24 7.027 -1.015 -13.409 183 HA ALA 24 HA ALA 24 8.149 -1.278 -10.850 184 HB1 ALA 24 HB1 ALA 24 9.085 -2.364 -12.860 185 HB2 ALA 24 HB2 ALA 24 10.300 -1.445 -11.977 186 HB3 ALA 24 HB3 ALA 24 9.607 -0.787 -13.458 187 H VAL 25 HN VAL 25 8.077 1.388 -13.116 188 HA VAL 25 HA VAL 25 9.708 3.147 -11.648 189 HB VAL 25 HB VAL 25 9.182 3.548 -14.033 190 HG11 VAL 25 HG11 VAL 25 6.415 4.242 -13.102 191 HG12 VAL 25 HG12 VAL 25 6.849 2.829 -14.069 192 HG13 VAL 25 HG13 VAL 25 7.028 4.456 -14.741 193 HG21 VAL 25 HG21 VAL 25 9.912 5.455 -12.735 194 HG22 VAL 25 HG22 VAL 25 8.239 5.729 -12.229 195 HG23 VAL 25 HG23 VAL 25 8.686 5.951 -13.922 196 H GLU 26 HN GLU 26 6.260 2.477 -11.517 197 HA GLU 26 HA GLU 26 5.612 4.613 -9.745 198 HB2 GLU 26 HB3 GLU 26 4.111 2.079 -10.408 199 HB3 GLU 26 HB2 GLU 26 3.454 3.410 -9.464 200 HG2 GLU 26 HG3 GLU 26 4.389 3.607 -12.315 201 HG3 GLU 26 HG2 GLU 26 2.711 3.412 -11.820 202 H LEU 27 HN LEU 27 6.322 1.191 -9.385 203 HA LEU 27 HA LEU 27 6.002 0.983 -6.605 204 HB2 LEU 27 HB2 LEU 27 7.822 -0.491 -8.509 205 HB3 LEU 27 HB1 LEU 27 7.683 -0.904 -6.816 206 HG LEU 27 HG LEU 27 5.364 -0.989 -8.755 207 HD11 LEU 27 HD11 LEU 27 7.165 -3.213 -7.785 208 HD12 LEU 27 HD12 LEU 27 7.044 -2.594 -9.439 209 HD13 LEU 27 HD13 LEU 27 5.675 -3.419 -8.705 210 HD21 LEU 27 HD21 LEU 27 5.740 -2.114 -5.976 211 HD22 LEU 27 HD22 LEU 27 4.327 -2.349 -6.999 212 HD23 LEU 27 HD23 LEU 27 4.727 -0.736 -6.407 213 H LYS 28 HN LYS 28 8.714 1.928 -8.612 214 HA LYS 28 HA LYS 28 10.657 2.207 -6.606 215 HB2 LYS 28 HB2 LYS 28 10.901 2.190 -9.157 216 HB3 LYS 28 HB1 LYS 28 10.463 3.883 -9.095 217 HG2 LYS 28 HG2 LYS 28 12.430 4.345 -7.719 218 HG3 LYS 28 HG1 LYS 28 12.866 2.631 -7.778 219 HD2 LYS 28 HD2 LYS 28 12.921 2.780 -10.251 220 HD3 LYS 28 HD1 LYS 28 12.634 4.510 -10.128 221 HE2 LYS 28 HE2 LYS 28 14.960 4.199 -10.450 222 HE3 LYS 28 HE1 LYS 28 14.727 4.663 -8.766 223 HZ1 LYS 28 HZ1 LYS 28 15.035 2.305 -8.124 224 HZ2 LYS 28 HZ2 LYS 28 16.312 2.841 -9.029 225 HZ3 LYS 28 HZ3 LYS 28 15.135 1.898 -9.756 226 H LYS 29 HN LYS 29 8.272 4.469 -7.851 227 HA LYS 29 HA LYS 29 9.013 6.735 -6.309 228 HB2 LYS 29 HB2 LYS 29 6.323 5.886 -7.337 229 HB3 LYS 29 HB1 LYS 29 6.702 7.502 -6.760 230 HG2 LYS 29 HG2 LYS 29 8.305 7.796 -8.615 231 HG3 LYS 29 HG1 LYS 29 7.935 6.166 -9.158 232 HD2 LYS 29 HD2 LYS 29 5.640 6.779 -9.588 233 HD3 LYS 29 HD1 LYS 29 5.929 8.398 -8.953 234 HE2 LYS 29 HE2 LYS 29 7.484 8.867 -10.722 235 HE3 LYS 29 HE1 LYS 29 7.362 7.215 -11.319 236 HZ1 LYS 29 HZ1 LYS 29 5.148 9.188 -11.252 237 HZ2 LYS 29 HZ2 LYS 29 5.061 7.586 -11.798 238 HZ3 LYS 29 HZ3 LYS 29 6.012 8.704 -12.635 239 H PHE 30 HN PHE 30 6.573 4.250 -5.870 240 HA PHE 30 HA PHE 30 5.533 5.017 -3.434 241 HB2 PHE 30 HB2 PHE 30 4.176 3.448 -4.333 242 HB3 PHE 30 HB1 PHE 30 5.491 2.668 -5.180 243 HD1 PHE 30 HD2 PHE 30 3.634 2.804 -1.972 244 HD2 PHE 30 HD1 PHE 30 6.458 0.735 -4.361 245 HE1 PHE 30 HE2 PHE 30 3.482 0.856 -0.469 246 HE2 PHE 30 HE1 PHE 30 6.307 -1.220 -2.862 247 HZ PHE 30 HZ PHE 30 4.808 -1.142 -0.913 248 H LYS 31 HN LYS 31 8.198 2.757 -4.044 249 HA LYS 31 HA LYS 31 8.532 2.291 -1.260 250 HB2 LYS 31 HB2 LYS 31 10.462 0.916 -1.857 251 HB3 LYS 31 HB1 LYS 31 9.042 0.515 -2.809 252 HG2 LYS 31 HG2 LYS 31 9.986 1.860 -4.663 253 HG3 LYS 31 HG1 LYS 31 11.455 2.075 -3.704 254 HD2 LYS 31 HD2 LYS 31 11.687 -0.375 -3.585 255 HD3 LYS 31 HD1 LYS 31 10.281 -0.547 -4.632 256 HE2 LYS 31 HE2 LYS 31 12.416 -0.778 -5.812 257 HE3 LYS 31 HE1 LYS 31 11.479 0.552 -6.459 258 HZ1 LYS 31 HZ1 LYS 31 12.874 2.082 -5.144 259 HZ2 LYS 31 HZ2 LYS 31 13.895 1.108 -6.058 260 HZ3 LYS 31 HZ3 LYS 31 13.645 0.780 -4.456 261 H LEU 32 HN LEU 32 9.749 4.781 -3.311 262 HA LEU 32 HA LEU 32 11.926 5.246 -1.507 263 HB2 LEU 32 HB2 LEU 32 12.468 7.215 -2.804 264 HB3 LEU 32 HB1 LEU 32 12.187 5.878 -3.881 265 HG LEU 32 HG LEU 32 9.818 6.970 -4.191 266 HD11 LEU 32 HD11 LEU 32 9.967 8.612 -2.430 267 HD12 LEU 32 HD12 LEU 32 9.788 9.383 -4.005 268 HD13 LEU 32 HD13 LEU 32 11.362 9.354 -3.212 269 HD21 LEU 32 HD21 LEU 32 11.491 6.766 -5.944 270 HD22 LEU 32 HD22 LEU 32 12.317 8.201 -5.339 271 HD23 LEU 32 HD23 LEU 32 10.695 8.339 -6.015 272 H TYR 33 HN TYR 33 8.686 6.336 -1.981 273 HA TYR 33 HA TYR 33 8.726 8.561 -0.281 274 HB2 TYR 33 HB2 TYR 33 6.937 8.265 -1.889 275 HB3 TYR 33 HB1 TYR 33 6.423 6.778 -1.096 276 HD1 TYR 33 HD2 TYR 33 6.585 10.413 -0.794 277 HD2 TYR 33 HD1 TYR 33 5.084 6.838 0.894 278 HE1 TYR 33 HE2 TYR 33 5.134 11.736 0.712 279 HE2 TYR 33 HE1 TYR 33 3.647 8.114 2.397 280 HH TYR 33 HH TYR 33 3.579 10.342 3.371 281 H LEU 34 HN LEU 34 7.913 5.186 0.352 282 HA LEU 34 HA LEU 34 7.728 5.903 3.185 283 HB2 LEU 34 HB2 LEU 34 6.554 3.680 3.427 284 HB3 LEU 34 HB1 LEU 34 5.696 4.975 2.626 285 HG LEU 34 HG LEU 34 6.132 3.892 0.437 286 HD11 LEU 34 HD11 LEU 34 8.195 2.696 0.941 287 HD12 LEU 34 HD12 LEU 34 6.952 1.590 0.342 288 HD13 LEU 34 HD13 LEU 34 7.320 1.661 2.068 289 HD21 LEU 34 HD21 LEU 34 4.094 3.440 1.668 290 HD22 LEU 34 HD22 LEU 34 4.899 2.080 2.472 291 HD23 LEU 34 HD23 LEU 34 4.627 2.041 0.731 292 H GLY 35 HN GLY 35 9.902 4.492 1.155 293 HA2 GLY 35 HA3 GLY 35 10.623 2.500 3.110 294 HA3 GLY 35 HA2 GLY 35 11.318 2.607 1.488 295 H THR 36 HN THR 36 12.420 4.920 1.279 296 HA THR 36 HA THR 36 14.495 4.869 3.310 297 HB THR 36 HB THR 36 15.168 4.800 0.913 298 HG1 THR 36 HG1 THR 36 15.913 7.191 2.252 299 HG21 THR 36 HG21 THR 36 13.982 7.573 0.745 300 HG22 THR 36 HG22 THR 36 13.355 6.134 -0.053 301 HG23 THR 36 HG23 THR 36 14.925 6.788 -0.519 302 H ALA 37 HN ALA 37 11.675 6.135 3.345 303 HA ALA 37 HA ALA 37 11.809 8.899 3.422 304 HB1 ALA 37 HB1 ALA 37 9.684 7.741 3.373 305 HB2 ALA 37 HB2 ALA 37 9.794 8.814 4.774 306 HB3 ALA 37 HB3 ALA 37 10.013 7.075 4.975 307 H THR 38 HN THR 38 13.078 10.062 4.613 308 HA THR 38 HA THR 38 14.129 9.297 7.091 309 HB THR 38 HB THR 38 14.656 11.802 7.143 310 HG1 THR 38 HG1 THR 38 14.545 12.674 4.983 311 HG21 THR 38 HG21 THR 38 16.464 11.512 5.491 312 HG22 THR 38 HG22 THR 38 15.635 10.090 4.855 313 HG23 THR 38 HG23 THR 38 16.278 10.072 6.497 314 H GLU 39 HN GLU 39 11.242 10.729 6.112 315 HA GLU 39 HA GLU 39 10.419 12.258 8.326 316 HB2 GLU 39 HB3 GLU 39 8.697 10.622 6.472 317 HB3 GLU 39 HB2 GLU 39 8.151 11.940 7.497 318 HG2 GLU 39 HG3 GLU 39 9.440 13.517 6.243 319 HG3 GLU 39 HG2 GLU 39 10.156 12.222 5.286 320 H LEU 40 HN LEU 40 10.294 8.835 7.696 321 HA LEU 40 HA LEU 40 8.593 8.128 9.910 322 HB2 LEU 40 HB2 LEU 40 10.537 6.400 8.411 323 HB3 LEU 40 HB1 LEU 40 9.196 5.864 9.391 324 HG LEU 40 HG LEU 40 9.042 7.295 6.759 325 HD11 LEU 40 HD11 LEU 40 8.117 5.172 5.950 326 HD12 LEU 40 HD12 LEU 40 8.408 4.458 7.538 327 HD13 LEU 40 HD13 LEU 40 9.765 5.001 6.552 328 HD21 LEU 40 HD21 LEU 40 6.827 6.216 8.493 329 HD22 LEU 40 HD22 LEU 40 6.627 6.848 6.862 330 HD23 LEU 40 HD23 LEU 40 7.148 7.922 8.167 331 H GLY 41 HN GLY 41 11.866 8.789 9.400 332 HA2 GLY 41 HA3 GLY 41 13.393 9.072 11.205 333 HA3 GLY 41 HA2 GLY 41 12.556 7.760 12.049 334 H GLU 42 HN GLU 42 15.038 8.594 9.952 335 HA GLU 42 HA GLU 42 16.742 7.569 9.023 336 HB2 GLU 42 HB3 GLU 42 15.730 5.123 10.428 337 HB3 GLU 42 HB2 GLU 42 17.231 5.156 9.509 338 HG2 GLU 42 HG3 GLU 42 17.931 5.367 11.713 339 HG3 GLU 42 HG2 GLU 42 17.886 7.035 11.167 340 H GLY 43 HN GLY 43 13.900 5.522 8.762 341 HA2 GLY 43 HA3 GLY 43 13.024 5.173 6.490 342 HA3 GLY 43 HA2 GLY 43 14.694 4.834 6.015 343 H LYS 44 HN LYS 44 11.959 3.357 6.734 344 HA LYS 44 HA LYS 44 12.888 1.400 8.636 345 HB2 LYS 44 HB2 LYS 44 10.392 1.406 6.937 346 HB3 LYS 44 HB1 LYS 44 10.716 0.312 8.273 347 HG2 LYS 44 HG2 LYS 44 10.457 3.306 8.500 348 HG3 LYS 44 HG1 LYS 44 9.200 2.137 8.903 349 HD2 LYS 44 HD2 LYS 44 10.617 1.189 10.636 350 HD3 LYS 44 HD1 LYS 44 11.923 2.299 10.211 351 HE2 LYS 44 HE2 LYS 44 10.535 4.188 10.855 352 HE3 LYS 44 HE1 LYS 44 9.200 3.093 11.209 353 HZ1 LYS 44 HZ1 LYS 44 10.508 2.091 12.951 354 HZ2 LYS 44 HZ2 LYS 44 10.394 3.741 13.212 355 HZ3 LYS 44 HZ3 LYS 44 11.820 3.088 12.615 356 H ILE 45 HN ILE 45 12.861 1.743 5.259 357 HA ILE 45 HA ILE 45 13.310 -1.077 4.816 358 HB ILE 45 HB ILE 45 12.983 1.261 2.933 359 HG12 ILE 45 HG12 ILE 45 10.914 0.531 4.012 360 HG13 ILE 45 HG11 ILE 45 10.878 0.166 2.291 361 HG21 ILE 45 HG21 ILE 45 14.536 -0.309 1.917 362 HG22 ILE 45 HG22 ILE 45 12.988 -0.311 1.073 363 HG23 ILE 45 HG23 ILE 45 13.389 -1.628 2.170 364 HD11 ILE 45 HD11 ILE 45 11.442 -2.148 2.796 365 HD12 ILE 45 HD12 ILE 45 9.936 -1.645 3.570 366 HD13 ILE 45 HD13 ILE 45 11.413 -1.788 4.526 367 HA PRO 46 HA PRO 46 17.717 -0.659 5.022 368 HB2 PRO 46 HB2 PRO 46 18.278 -2.703 3.200 369 HB3 PRO 46 HB1 PRO 46 18.044 -2.910 4.936 370 HG2 PRO 46 HG2 PRO 46 16.114 -3.317 2.702 371 HG3 PRO 46 HG1 PRO 46 16.315 -4.244 4.199 372 HD2 PRO 46 HD2 PRO 46 14.316 -2.533 3.887 373 HD3 PRO 46 HD1 PRO 46 15.126 -2.716 5.455 374 H TRP 47 HN TRP 47 19.531 -0.282 3.638 375 HA TRP 47 HA TRP 47 19.598 1.899 2.262 376 HB2 TRP 47 HB2 TRP 47 21.692 1.221 1.144 377 HB3 TRP 47 HB1 TRP 47 21.621 0.704 2.815 378 HD1 TRP 47 HD1 TRP 47 22.194 -0.572 -0.649 379 HE1 TRP 47 HE1 TRP 47 22.544 -3.124 -0.616 380 HE3 TRP 47 HE3 TRP 47 20.726 -1.581 4.141 381 HZ2 TRP 47 HZ2 TRP 47 22.256 -5.246 1.152 382 HZ3 TRP 47 HZ3 TRP 47 20.799 -3.914 4.926 383 HH2 TRP 47 HH2 TRP 47 21.548 -5.708 3.457 384 H GLY 48 HN GLY 48 19.321 -1.045 0.220 385 HA2 GLY 48 HA3 GLY 48 17.458 0.294 -1.492 386 HA3 GLY 48 HA2 GLY 48 19.064 0.215 -2.203 387 H SER 49 HN SER 49 17.584 -2.175 -0.094 388 HA SER 49 HA SER 49 18.323 -4.335 -1.727 389 HB2 SER 49 HB2 SER 49 16.243 -4.278 0.444 390 HB3 SER 49 HB1 SER 49 17.317 -5.605 -0.018 391 HG SER 49 HG SER 49 18.768 -4.829 1.237 392 H MET 50 HN MET 50 15.619 -2.266 -1.626 393 HA MET 50 HA MET 50 13.814 -4.149 -2.854 394 HB2 MET 50 HB2 MET 50 12.166 -2.190 -2.703 395 HB3 MET 50 HB1 MET 50 12.668 -3.014 -1.245 396 HG2 MET 50 HG2 MET 50 12.531 -0.581 -0.973 397 HG3 MET 50 HG1 MET 50 14.127 -1.218 -0.639 398 HE1 MET 50 HE1 MET 50 15.136 1.235 -0.718 399 HE2 MET 50 HE2 MET 50 13.528 1.889 -1.034 400 HE3 MET 50 HE3 MET 50 14.890 2.364 -2.050 401 H GLU 51 HN GLU 51 16.135 -2.394 -4.187 402 HA GLU 51 HA GLU 51 14.819 -0.995 -6.270 403 HB2 GLU 51 HB3 GLU 51 17.535 -2.066 -5.857 404 HB3 GLU 51 HB2 GLU 51 17.115 -1.375 -7.424 405 HG2 GLU 51 HG3 GLU 51 16.806 0.101 -4.813 406 HG3 GLU 51 HG2 GLU 51 18.280 0.168 -5.781 407 H LYS 52 HN LYS 52 15.983 -4.279 -6.002 408 HA LYS 52 HA LYS 52 15.078 -4.869 -8.708 409 HB2 LYS 52 HB2 LYS 52 16.201 -7.061 -8.402 410 HB3 LYS 52 HB1 LYS 52 17.275 -5.699 -8.161 411 HG2 LYS 52 HG2 LYS 52 17.899 -7.133 -6.438 412 HG3 LYS 52 HG1 LYS 52 16.758 -6.051 -5.649 413 HD2 LYS 52 HD2 LYS 52 14.998 -7.714 -5.857 414 HD3 LYS 52 HD1 LYS 52 16.098 -8.792 -6.712 415 HE2 LYS 52 HE2 LYS 52 15.943 -9.510 -4.427 416 HE3 LYS 52 HE1 LYS 52 17.544 -8.832 -4.699 417 HZ1 LYS 52 HZ1 LYS 52 16.773 -6.764 -3.584 418 HZ2 LYS 52 HZ2 LYS 52 16.626 -8.119 -2.612 419 HZ3 LYS 52 HZ3 LYS 52 15.272 -7.487 -3.338 420 H ALA 53 HN ALA 53 13.402 -4.500 -6.158 421 HA ALA 53 HA ALA 53 12.219 -7.111 -5.779 422 HB1 ALA 53 HB1 ALA 53 12.715 -5.705 -3.879 423 HB2 ALA 53 HB2 ALA 53 10.969 -6.011 -3.971 424 HB3 ALA 53 HB3 ALA 53 11.647 -4.458 -4.496 425 H GLY 54 HN GLY 54 10.273 -7.772 -6.513 426 HA2 GLY 54 HA3 GLY 54 8.789 -5.990 -8.260 427 HA3 GLY 54 HA2 GLY 54 8.615 -7.742 -8.130 428 HA PRO 55 HA PRO 55 5.208 -5.352 -5.876 429 HB2 PRO 55 HB2 PRO 55 3.220 -7.105 -6.721 430 HB3 PRO 55 HB1 PRO 55 3.609 -5.555 -7.468 431 HG2 PRO 55 HG2 PRO 55 4.402 -8.306 -8.286 432 HG3 PRO 55 HG1 PRO 55 4.025 -6.899 -9.292 433 HD2 PRO 55 HD2 PRO 55 6.565 -7.733 -8.870 434 HD3 PRO 55 HD1 PRO 55 6.163 -6.022 -9.080 435 H LEU 56 HN LEU 56 5.761 -8.803 -6.117 436 HA LEU 56 HA LEU 56 4.318 -9.448 -3.692 437 HB2 LEU 56 HB2 LEU 56 5.090 -11.707 -3.923 438 HB3 LEU 56 HB1 LEU 56 4.616 -11.129 -5.498 439 HG LEU 56 HG LEU 56 7.488 -11.376 -4.572 440 HD11 LEU 56 HD11 LEU 56 5.824 -13.233 -6.251 441 HD12 LEU 56 HD12 LEU 56 6.465 -13.549 -4.639 442 HD13 LEU 56 HD13 LEU 56 7.562 -13.362 -6.009 443 HD21 LEU 56 HD21 LEU 56 7.987 -11.255 -7.006 444 HD22 LEU 56 HD22 LEU 56 7.301 -9.776 -6.375 445 HD23 LEU 56 HD23 LEU 56 6.288 -10.883 -7.314 446 H GLU 57 HN GLU 57 7.630 -8.862 -4.516 447 HA GLU 57 HA GLU 57 8.692 -9.599 -1.988 448 HB2 GLU 57 HB3 GLU 57 9.809 -7.878 -4.193 449 HB3 GLU 57 HB2 GLU 57 10.727 -8.502 -2.825 450 HG2 GLU 57 HG3 GLU 57 10.429 -10.750 -3.563 451 HG3 GLU 57 HG2 GLU 57 9.302 -10.234 -4.819 452 H MET 58 HN MET 58 7.611 -6.671 -3.529 453 HA MET 58 HA MET 58 8.286 -4.874 -1.493 454 HB2 MET 58 HB2 MET 58 6.134 -4.830 -3.595 455 HB3 MET 58 HB1 MET 58 6.365 -3.481 -2.494 456 HG2 MET 58 HG2 MET 58 8.765 -4.448 -3.875 457 HG3 MET 58 HG1 MET 58 7.578 -3.705 -4.941 458 HE1 MET 58 HE1 MET 58 8.403 -2.766 -1.149 459 HE2 MET 58 HE2 MET 58 9.654 -1.545 -1.389 460 HE3 MET 58 HE3 MET 58 9.962 -3.225 -1.835 461 H ALA 59 HN ALA 59 5.221 -6.563 -2.160 462 HA ALA 59 HA ALA 59 3.736 -5.662 -0.027 463 HB1 ALA 59 HB1 ALA 59 2.408 -7.693 -0.277 464 HB2 ALA 59 HB2 ALA 59 3.706 -8.435 -1.216 465 HB3 ALA 59 HB3 ALA 59 2.848 -7.034 -1.853 466 H GLN 60 HN GLN 60 5.920 -8.449 -0.101 467 HA GLN 60 HA GLN 60 5.420 -9.056 2.634 468 HB2 GLN 60 HB2 GLN 60 7.595 -10.084 0.821 469 HB3 GLN 60 HB1 GLN 60 7.164 -10.739 2.396 470 HG2 GLN 60 HG2 GLN 60 4.904 -11.258 1.510 471 HG3 GLN 60 HG1 GLN 60 5.441 -10.677 -0.054 472 HE21 GLN 60 HE21 GLN 60 4.569 -13.353 0.745 473 HE22 GLN 60 HE22 GLN 60 5.851 -14.405 0.312 474 H LEU 61 HN LEU 61 7.464 -6.800 1.103 475 HA LEU 61 HA LEU 61 9.579 -6.828 3.027 476 HB2 LEU 61 HB2 LEU 61 9.487 -5.871 0.551 477 HB3 LEU 61 HB1 LEU 61 8.887 -4.444 1.382 478 HG LEU 61 HG LEU 61 10.948 -4.441 2.758 479 HD11 LEU 61 HD11 LEU 61 11.773 -6.508 0.754 480 HD12 LEU 61 HD12 LEU 61 11.606 -6.770 2.498 481 HD13 LEU 61 HD13 LEU 61 12.878 -5.707 1.867 482 HD21 LEU 61 HD21 LEU 61 11.312 -4.254 -0.220 483 HD22 LEU 61 HD22 LEU 61 12.377 -3.535 0.988 484 HD23 LEU 61 HD23 LEU 61 10.708 -2.973 0.829 485 H LEU 62 HN LEU 62 6.835 -4.643 2.276 486 HA LEU 62 HA LEU 62 7.254 -3.041 4.527 487 HB2 LEU 62 HB2 LEU 62 4.704 -3.399 2.934 488 HB3 LEU 62 HB1 LEU 62 4.937 -2.185 4.162 489 HG LEU 62 HG LEU 62 5.161 -1.002 2.208 490 HD11 LEU 62 HD11 LEU 62 6.976 -0.435 3.575 491 HD12 LEU 62 HD12 LEU 62 7.494 -0.403 1.882 492 HD13 LEU 62 HD13 LEU 62 7.944 -1.754 2.918 493 HD21 LEU 62 HD21 LEU 62 6.443 -1.685 0.255 494 HD22 LEU 62 HD22 LEU 62 5.109 -2.778 0.655 495 HD23 LEU 62 HD23 LEU 62 6.766 -3.231 1.047 496 H ILE 63 HN ILE 63 5.384 -5.991 4.038 497 HA ILE 63 HA ILE 63 3.937 -5.814 6.436 498 HB ILE 63 HB ILE 63 3.669 -7.389 4.296 499 HG12 ILE 63 HG12 ILE 63 2.111 -7.089 6.161 500 HG13 ILE 63 HG11 ILE 63 2.023 -8.694 5.468 501 HG21 ILE 63 HG21 ILE 63 5.094 -9.252 6.183 502 HG22 ILE 63 HG22 ILE 63 5.709 -8.680 4.640 503 HG23 ILE 63 HG23 ILE 63 4.278 -9.717 4.688 504 HD11 ILE 63 HD11 ILE 63 3.376 -9.531 7.368 505 HD12 ILE 63 HD12 ILE 63 1.844 -8.803 7.870 506 HD13 ILE 63 HD13 ILE 63 3.349 -7.901 8.043 507 H THR 64 HN THR 64 7.150 -6.962 5.746 508 HA THR 64 HA THR 64 7.485 -8.274 8.261 509 HB THR 64 HB THR 64 9.617 -7.356 6.301 510 HG1 THR 64 HG1 THR 64 8.383 -8.821 5.223 511 HG21 THR 64 HG21 THR 64 11.014 -9.083 7.370 512 HG22 THR 64 HG22 THR 64 9.708 -9.434 8.505 513 HG23 THR 64 HG23 THR 64 10.509 -7.864 8.542 514 H HIS 65 HN HIS 65 8.603 -5.186 6.916 515 HA HIS 65 HA HIS 65 9.867 -4.457 9.381 516 HB2 HIS 65 HB2 HIS 65 9.349 -2.818 6.889 517 HB3 HIS 65 HB1 HIS 65 10.233 -2.216 8.285 518 HD1 HIS 65 HD1 HIS 65 12.705 -2.973 8.518 519 HD2 HIS 65 HD2 HIS 65 10.680 -4.807 5.386 520 HE1 HIS 65 HE1 HIS 65 14.440 -4.204 7.193 521 H PHE 66 HN PHE 66 7.115 -2.967 7.664 522 HA PHE 66 HA PHE 66 6.357 -1.434 9.924 523 HB2 PHE 66 HB2 PHE 66 4.837 -2.094 7.392 524 HB3 PHE 66 HB1 PHE 66 4.375 -0.863 8.565 525 HD1 PHE 66 HD2 PHE 66 6.997 -1.845 6.176 526 HD2 PHE 66 HD1 PHE 66 5.321 1.288 8.493 527 HE1 PHE 66 HE2 PHE 66 8.439 -0.257 5.032 528 HE2 PHE 66 HE1 PHE 66 6.774 2.905 7.350 529 HZ PHE 66 HZ PHE 66 8.345 2.112 5.614 530 H GLY 67 HN GLY 67 4.405 -3.929 8.289 531 HA2 GLY 67 HA3 GLY 67 3.886 -5.722 10.182 532 HA3 GLY 67 HA2 GLY 67 2.962 -4.318 10.745 533 HA PRO 68 HA PRO 68 0.637 -6.705 7.379 534 HB2 PRO 68 HB2 PRO 68 -1.480 -6.979 9.380 535 HB3 PRO 68 HB1 PRO 68 -0.756 -8.211 8.356 536 HG2 PRO 68 HG2 PRO 68 -0.326 -8.035 11.036 537 HG3 PRO 68 HG1 PRO 68 0.840 -8.754 9.910 538 HD2 PRO 68 HD2 PRO 68 0.878 -6.115 11.278 539 HD3 PRO 68 HD1 PRO 68 2.230 -7.142 10.761 540 H GLU 69 HN GLU 69 -1.095 -4.954 9.940 541 HA GLU 69 HA GLU 69 -2.891 -3.712 8.187 542 HB2 GLU 69 HB3 GLU 69 -2.111 -2.805 10.952 543 HB3 GLU 69 HB2 GLU 69 -3.574 -2.377 10.080 544 HG2 GLU 69 HG3 GLU 69 -4.410 -3.991 11.400 545 HG3 GLU 69 HG2 GLU 69 -3.896 -4.977 10.047 546 H GLU 70 HN GLU 70 0.170 -2.787 9.551 547 HA GLU 70 HA GLU 70 -0.029 -0.070 8.818 548 HB2 GLU 70 HB3 GLU 70 1.389 -1.004 10.675 549 HB3 GLU 70 HB2 GLU 70 2.520 -1.534 9.446 550 HG2 GLU 70 HG3 GLU 70 2.978 0.705 8.771 551 HG3 GLU 70 HG2 GLU 70 1.661 1.326 9.758 552 H ALA 71 HN ALA 71 1.658 -2.845 7.353 553 HA ALA 71 HA ALA 71 2.892 -1.564 5.185 554 HB1 ALA 71 HB1 ALA 71 2.783 -3.711 4.037 555 HB2 ALA 71 HB2 ALA 71 1.611 -4.295 5.220 556 HB3 ALA 71 HB3 ALA 71 3.255 -3.919 5.722 557 H TRP 72 HN TRP 72 -0.335 -2.991 5.396 558 HA TRP 72 HA TRP 72 -1.080 -2.335 2.807 559 HB2 TRP 72 HB2 TRP 72 -2.363 -4.005 3.941 560 HB3 TRP 72 HB1 TRP 72 -2.755 -2.905 5.260 561 HD1 TRP 72 HD1 TRP 72 -5.277 -2.473 5.116 562 HE1 TRP 72 HE1 TRP 72 -6.925 -1.785 3.255 563 HE3 TRP 72 HE3 TRP 72 -2.138 -2.680 1.095 564 HZ2 TRP 72 HZ2 TRP 72 -6.879 -1.350 0.517 565 HZ3 TRP 72 HZ3 TRP 72 -3.025 -2.112 -1.126 566 HH2 TRP 72 HH2 TRP 72 -5.356 -1.469 -1.409 567 H ARG 73 HN ARG 73 -1.570 -0.535 5.801 568 HA ARG 73 HA ARG 73 -3.063 1.518 4.608 569 HB2 ARG 73 HB2 ARG 73 -2.929 1.121 7.055 570 HB3 ARG 73 HB1 ARG 73 -1.281 1.734 7.036 571 HG2 ARG 73 HG2 ARG 73 -2.149 3.902 6.208 572 HG3 ARG 73 HG1 ARG 73 -3.788 3.271 6.392 573 HD2 ARG 73 HD2 ARG 73 -1.734 3.632 8.567 574 HD3 ARG 73 HD1 ARG 73 -3.194 4.587 8.318 575 HE ARG 73 HE ARG 73 -4.285 2.234 8.627 576 HH11 ARG 73 HH11 ARG 73 -1.628 3.664 10.455 577 HH12 ARG 73 HH12 ARG 73 -1.957 2.828 11.901 578 HH21 ARG 73 HH21 ARG 73 -4.780 1.078 10.627 579 HH22 ARG 73 HH22 ARG 73 -3.798 1.321 11.992 580 H LEU 74 HN LEU 74 0.379 1.162 5.279 581 HA LEU 74 HA LEU 74 1.302 3.618 4.377 582 HB2 LEU 74 HB2 LEU 74 2.466 0.975 4.896 583 HB3 LEU 74 HB1 LEU 74 3.342 1.920 3.716 584 HG LEU 74 HG LEU 74 4.222 2.085 6.053 585 HD11 LEU 74 HD11 LEU 74 4.747 3.784 4.445 586 HD12 LEU 74 HD12 LEU 74 4.531 4.503 6.035 587 HD13 LEU 74 HD13 LEU 74 3.258 4.657 4.815 588 HD21 LEU 74 HD21 LEU 74 3.041 3.482 7.671 589 HD22 LEU 74 HD22 LEU 74 2.078 2.062 7.256 590 HD23 LEU 74 HD23 LEU 74 1.676 3.631 6.567 591 H ALA 75 HN ALA 75 0.790 0.613 2.549 592 HA ALA 75 HA ALA 75 1.794 1.653 0.108 593 HB1 ALA 75 HB1 ALA 75 0.684 -0.183 -0.986 594 HB2 ALA 75 HB2 ALA 75 -0.183 -0.583 0.499 595 HB3 ALA 75 HB3 ALA 75 1.582 -0.742 0.417 596 H LEU 76 HN LEU 76 -1.555 1.358 1.302 597 HA LEU 76 HA LEU 76 -2.601 2.496 -1.036 598 HB2 LEU 76 HB2 LEU 76 -4.754 2.658 0.086 599 HB3 LEU 76 HB1 LEU 76 -4.004 1.128 0.450 600 HG LEU 76 HG LEU 76 -3.299 2.357 2.677 601 HD11 LEU 76 HD11 LEU 76 -4.969 3.923 3.460 602 HD12 LEU 76 HD12 LEU 76 -5.728 3.906 1.866 603 HD13 LEU 76 HD13 LEU 76 -4.095 4.548 2.059 604 HD21 LEU 76 HD21 LEU 76 -6.093 1.409 2.135 605 HD22 LEU 76 HD22 LEU 76 -5.349 1.574 3.726 606 HD23 LEU 76 HD23 LEU 76 -4.707 0.406 2.570 607 H SER 77 HN SER 77 -1.667 3.959 1.999 608 HA SER 77 HA SER 77 -2.451 6.520 1.111 609 HB2 SER 77 HB2 SER 77 -1.347 5.328 3.532 610 HB3 SER 77 HB1 SER 77 -1.123 7.103 3.365 611 HG SER 77 HG SER 77 -3.393 7.062 2.869 612 H THR 78 HN THR 78 0.012 4.768 0.074 613 HA THR 78 HA THR 78 1.603 7.150 -0.459 614 HB THR 78 HB THR 78 2.290 4.214 -0.849 615 HG1 THR 78 HG1 THR 78 2.491 4.691 1.244 616 HG21 THR 78 HG21 THR 78 4.556 4.996 -1.418 617 HG22 THR 78 HG22 THR 78 4.006 6.668 -1.317 618 HG23 THR 78 HG23 THR 78 3.372 5.606 -2.574 619 H PHE 79 HN PHE 79 -0.528 4.764 -1.816 620 HA PHE 79 HA PHE 79 -0.075 5.111 -4.536 621 HB2 PHE 79 HB2 PHE 79 -2.671 4.569 -3.072 622 HB3 PHE 79 HB1 PHE 79 -2.530 4.484 -4.830 623 HD1 PHE 79 HD2 PHE 79 0.359 3.108 -4.429 624 HD2 PHE 79 HD1 PHE 79 -3.574 2.388 -2.984 625 HE1 PHE 79 HE2 PHE 79 0.905 0.750 -4.108 626 HE2 PHE 79 HE1 PHE 79 -3.027 0.018 -2.661 627 HZ PHE 79 HZ PHE 79 -0.781 -0.806 -3.229 628 H GLU 80 HN GLU 80 -2.197 6.822 -2.288 629 HA GLU 80 HA GLU 80 -3.270 8.700 -4.089 630 HB2 GLU 80 HB3 GLU 80 -3.840 10.037 -2.033 631 HB3 GLU 80 HB2 GLU 80 -4.349 8.356 -1.947 632 HG2 GLU 80 HG3 GLU 80 -2.459 7.813 -0.622 633 HG3 GLU 80 HG2 GLU 80 -1.853 9.472 -0.721 634 H ARG 81 HN ARG 81 -0.215 8.613 -2.476 635 HA ARG 81 HA ARG 81 0.429 11.386 -2.724 636 HB2 ARG 81 HB2 ARG 81 2.203 9.013 -2.249 637 HB3 ARG 81 HB1 ARG 81 2.745 10.678 -2.212 638 HG2 ARG 81 HG2 ARG 81 0.675 9.490 -0.375 639 HG3 ARG 81 HG1 ARG 81 2.385 9.695 -0.008 640 HD2 ARG 81 HD2 ARG 81 1.348 11.529 1.014 641 HD3 ARG 81 HD1 ARG 81 2.035 12.147 -0.485 642 HE ARG 81 HE ARG 81 -0.135 12.331 -1.396 643 HH11 ARG 81 HH11 ARG 81 -0.106 11.499 2.044 644 HH12 ARG 81 HH12 ARG 81 -1.752 11.847 2.270 645 HH21 ARG 81 HH21 ARG 81 -2.438 12.801 -1.043 646 HH22 ARG 81 HH22 ARG 81 -3.104 12.511 0.495 647 H ILE 82 HN ILE 82 1.261 8.477 -4.527 648 HA ILE 82 HA ILE 82 2.891 9.973 -6.404 649 HB ILE 82 HB ILE 82 3.349 7.781 -7.444 650 HG12 ILE 82 HG12 ILE 82 1.499 6.667 -5.301 651 HG13 ILE 82 HG11 ILE 82 1.127 6.744 -7.016 652 HG21 ILE 82 HG21 ILE 82 3.617 7.837 -4.437 653 HG22 ILE 82 HG22 ILE 82 4.738 8.538 -5.601 654 HG23 ILE 82 HG23 ILE 82 4.539 6.786 -5.515 655 HD11 ILE 82 HD11 ILE 82 2.941 5.177 -7.478 656 HD12 ILE 82 HD12 ILE 82 1.788 4.510 -6.317 657 HD13 ILE 82 HD13 ILE 82 3.338 5.136 -5.758 658 H ASN 83 HN ASN 83 -0.106 10.152 -6.134 659 HA ASN 83 HA ASN 83 -1.923 10.380 -7.279 660 HB2 ASN 83 HB3 ASN 83 -0.042 10.957 -9.563 661 HB3 ASN 83 HB2 ASN 83 -1.790 11.142 -9.681 662 HD21 ASN 83 HD21 ASN 83 -2.807 12.681 -8.356 663 HD22 ASN 83 HD22 ASN 83 -1.965 14.027 -7.703 664 H ARG 84 HN ARG 84 -2.071 8.248 -6.702 665 HA ARG 84 HA ARG 84 -3.075 6.723 -8.932 666 HB2 ARG 84 HB2 ARG 84 -0.836 5.782 -8.469 667 HB3 ARG 84 HB1 ARG 84 -1.218 5.657 -6.764 668 HG2 ARG 84 HG2 ARG 84 -1.266 3.520 -8.130 669 HG3 ARG 84 HG1 ARG 84 -2.669 3.849 -7.113 670 HD2 ARG 84 HD2 ARG 84 -3.326 3.048 -9.315 671 HD3 ARG 84 HD1 ARG 84 -3.866 4.699 -8.980 672 HE ARG 84 HE ARG 84 -1.385 4.796 -10.259 673 HH11 ARG 84 HH11 ARG 84 -4.668 3.771 -11.191 674 HH12 ARG 84 HH12 ARG 84 -4.494 4.307 -12.787 675 HH21 ARG 84 HH21 ARG 84 -1.172 5.480 -12.417 676 HH22 ARG 84 HH22 ARG 84 -2.450 5.288 -13.532 677 H LYS 85 HN LYS 85 -4.618 8.249 -7.675 678 HA LYS 85 HA LYS 85 -5.521 7.381 -5.127 679 HB2 LYS 85 HB2 LYS 85 -5.533 9.709 -5.823 680 HB3 LYS 85 HB1 LYS 85 -6.705 9.370 -7.101 681 HG2 LYS 85 HG2 LYS 85 -8.366 8.855 -5.360 682 HG3 LYS 85 HG1 LYS 85 -7.123 9.127 -4.129 683 HD2 LYS 85 HD2 LYS 85 -8.447 11.104 -4.238 684 HD3 LYS 85 HD1 LYS 85 -6.891 11.465 -4.969 685 HE2 LYS 85 HE2 LYS 85 -8.548 12.465 -6.357 686 HE3 LYS 85 HE1 LYS 85 -7.979 11.044 -7.223 687 HZ1 LYS 85 HZ1 LYS 85 -10.372 11.223 -7.309 688 HZ2 LYS 85 HZ2 LYS 85 -10.475 11.252 -5.639 689 HZ3 LYS 85 HZ3 LYS 85 -9.974 9.842 -6.420 690 H ASP 86 HN ASP 86 -6.077 6.744 -8.390 691 HA ASP 86 HA ASP 86 -8.537 5.620 -8.603 692 HB2 ASP 86 HB2 ASP 86 -7.459 5.753 -10.608 693 HB3 ASP 86 HB1 ASP 86 -5.922 5.223 -9.945 694 H LEU 87 HN LEU 87 -5.601 4.262 -7.332 695 HA LEU 87 HA LEU 87 -6.734 1.613 -6.957 696 HB2 LEU 87 HB2 LEU 87 -4.426 2.150 -7.840 697 HB3 LEU 87 HB1 LEU 87 -4.047 2.714 -6.229 698 HG LEU 87 HG LEU 87 -4.279 0.474 -5.374 699 HD11 LEU 87 HD11 LEU 87 -4.569 -1.409 -6.957 700 HD12 LEU 87 HD12 LEU 87 -4.841 -0.239 -8.258 701 HD13 LEU 87 HD13 LEU 87 -5.986 -0.359 -6.928 702 HD21 LEU 87 HD21 LEU 87 -2.333 -0.483 -6.519 703 HD22 LEU 87 HD22 LEU 87 -2.146 1.246 -6.192 704 HD23 LEU 87 HD23 LEU 87 -2.549 0.699 -7.814 705 H TRP 88 HN TRP 88 -5.704 4.445 -5.229 706 HA TRP 88 HA TRP 88 -5.660 3.557 -2.591 707 HB2 TRP 88 HB2 TRP 88 -4.709 5.650 -3.316 708 HB3 TRP 88 HB1 TRP 88 -6.267 6.247 -3.784 709 HD1 TRP 88 HD1 TRP 88 -4.533 5.170 -0.525 710 HE1 TRP 88 HE1 TRP 88 -5.427 6.615 1.406 711 HE3 TRP 88 HE3 TRP 88 -8.063 7.795 -3.048 712 HZ2 TRP 88 HZ2 TRP 88 -7.378 8.589 1.814 713 HZ3 TRP 88 HZ3 TRP 88 -9.412 9.449 -1.828 714 HH2 TRP 88 HH2 TRP 88 -9.078 9.833 0.559 715 H GLU 89 HN GLU 89 -8.281 5.091 -4.399 716 HA GLU 89 HA GLU 89 -10.167 5.160 -2.328 717 HB2 GLU 89 HB3 GLU 89 -10.540 5.189 -5.306 718 HB3 GLU 89 HB2 GLU 89 -11.834 5.480 -4.151 719 HG2 GLU 89 HG3 GLU 89 -10.581 7.403 -3.260 720 HG3 GLU 89 HG2 GLU 89 -9.302 7.062 -4.424 721 H ARG 90 HN ARG 90 -9.208 2.565 -4.263 722 HA ARG 90 HA ARG 90 -11.626 0.997 -3.885 723 HB2 ARG 90 HB2 ARG 90 -8.930 -0.139 -4.527 724 HB3 ARG 90 HB1 ARG 90 -10.503 -0.780 -4.938 725 HG2 ARG 90 HG2 ARG 90 -10.795 1.029 -6.565 726 HG3 ARG 90 HG1 ARG 90 -9.188 1.637 -6.145 727 HD2 ARG 90 HD2 ARG 90 -8.393 -0.751 -6.615 728 HD3 ARG 90 HD1 ARG 90 -9.931 -0.942 -7.444 729 HE ARG 90 HE ARG 90 -8.772 1.339 -8.436 730 HH11 ARG 90 HH11 ARG 90 -8.298 -2.154 -8.401 731 HH12 ARG 90 HH12 ARG 90 -7.138 -2.171 -9.647 732 HH21 ARG 90 HH21 ARG 90 -7.172 1.307 -10.283 733 HH22 ARG 90 HH22 ARG 90 -6.557 -0.227 -10.734 734 H GLY 91 HN GLY 91 -8.382 1.258 -2.539 735 HA2 GLY 91 HA3 GLY 91 -8.607 -0.894 -0.680 736 HA3 GLY 91 HA2 GLY 91 -7.371 0.367 -0.694 737 H GLN 92 HN GLN 92 -9.430 2.409 -0.694 738 HA GLN 92 HA GLN 92 -9.804 2.787 2.103 739 HB2 GLN 92 HB2 GLN 92 -10.806 4.212 -0.338 740 HB3 GLN 92 HB1 GLN 92 -11.295 4.666 1.287 741 HG2 GLN 92 HG2 GLN 92 -8.470 4.587 0.298 742 HG3 GLN 92 HG1 GLN 92 -9.467 6.039 0.408 743 HE21 GLN 92 HE21 GLN 92 -10.140 6.718 2.446 744 HE22 GLN 92 HE22 GLN 92 -9.236 6.347 3.868 745 H ARG 93 HN ARG 93 -11.050 1.537 3.153 746 HA ARG 93 HA ARG 93 -13.438 0.480 2.114 747 HB2 ARG 93 HB2 ARG 93 -14.009 0.058 4.577 748 HB3 ARG 93 HB1 ARG 93 -12.597 -0.746 3.919 749 HG2 ARG 93 HG2 ARG 93 -11.122 0.653 5.076 750 HG3 ARG 93 HG1 ARG 93 -12.378 1.845 5.411 751 HD2 ARG 93 HD2 ARG 93 -11.814 0.556 7.369 752 HD3 ARG 93 HD1 ARG 93 -13.493 0.320 6.852 753 HE ARG 93 HE ARG 93 -11.416 -1.631 6.153 754 HH11 ARG 93 HH11 ARG 93 -14.583 -0.911 7.637 755 HH12 ARG 93 HH12 ARG 93 -14.862 -2.481 8.190 756 HH21 ARG 93 HH21 ARG 93 -11.794 -3.851 6.885 757 HH22 ARG 93 HH22 ARG 93 -13.200 -4.248 7.725 758 H GLU 94 HN GLU 94 -12.817 3.176 4.347 759 HA GLU 94 HA GLU 94 -14.194 4.641 5.280 760 HB2 GLU 94 HB3 GLU 94 -14.387 5.299 2.340 761 HB3 GLU 94 HB2 GLU 94 -14.987 6.374 3.599 762 HG2 GLU 94 HG3 GLU 94 -12.740 6.434 4.602 763 HG3 GLU 94 HG2 GLU 94 -12.147 5.411 3.302 764 H ASP 95 HN ASP 95 -15.560 3.517 6.300 765 HA ASP 95 HA ASP 95 -17.881 2.286 5.170 766 HB2 ASP 95 HB2 ASP 95 -16.954 2.625 8.015 767 HB3 ASP 95 HB1 ASP 95 -18.404 1.754 7.541 768 H LEU 96 HN LEU 96 -17.521 5.284 5.310 769 HA LEU 96 HA LEU 96 -18.737 7.149 5.413 770 HB2 LEU 96 HB2 LEU 96 -20.527 5.816 4.456 771 HB3 LEU 96 HB1 LEU 96 -21.017 5.274 6.044 772 HG LEU 96 HG LEU 96 -21.625 7.643 6.600 773 HD11 LEU 96 HD11 LEU 96 -21.897 9.245 4.773 774 HD12 LEU 96 HD12 LEU 96 -21.126 8.109 3.666 775 HD13 LEU 96 HD13 LEU 96 -20.208 8.795 5.006 776 HD21 LEU 96 HD21 LEU 96 -23.016 6.435 4.217 777 HD22 LEU 96 HD22 LEU 96 -23.695 7.656 5.297 778 HD23 LEU 96 HD23 LEU 96 -23.317 6.047 5.908 779 H VAL 97 HN VAL 97 -19.489 8.675 6.949 780 HA VAL 97 HA VAL 97 -18.656 8.137 9.606 781 HB VAL 97 HB VAL 97 -20.323 10.467 8.591 782 HG11 VAL 97 HG11 VAL 97 -19.503 11.656 10.570 783 HG12 VAL 97 HG12 VAL 97 -18.654 10.198 11.092 784 HG13 VAL 97 HG13 VAL 97 -20.412 10.211 11.018 785 HG21 VAL 97 HG21 VAL 97 -18.209 10.326 7.377 786 HG22 VAL 97 HG22 VAL 97 -17.325 10.239 8.899 787 HG23 VAL 97 HG23 VAL 97 -18.202 11.710 8.472 788 H ARG 98 HN ARG 98 -19.762 6.725 10.739 789 HA ARG 98 HA ARG 98 -22.602 6.505 10.387 790 HB2 ARG 98 HB2 ARG 98 -20.750 4.881 12.135 791 HB3 ARG 98 HB1 ARG 98 -22.462 4.558 11.880 792 HG2 ARG 98 HG2 ARG 98 -20.492 4.742 9.668 793 HG3 ARG 98 HG1 ARG 98 -20.900 3.188 10.444 794 HD2 ARG 98 HD2 ARG 98 -23.196 3.455 9.736 795 HD3 ARG 98 HD1 ARG 98 -22.874 5.078 9.135 796 HE ARG 98 HE ARG 98 -21.184 3.393 7.780 797 HH11 ARG 98 HH11 ARG 98 -24.695 3.785 8.134 798 HH12 ARG 98 HH12 ARG 98 -25.043 3.240 6.567 799 HH21 ARG 98 HH21 ARG 98 -21.683 2.670 5.625 800 HH22 ARG 98 HH22 ARG 98 -23.289 2.596 5.097 801 H ASP 99 HN ASP 99 -22.984 8.426 10.973 802 HA ASP 99 HA ASP 99 -22.900 9.129 13.807 803 HB2 ASP 99 HB2 ASP 99 -22.082 10.831 12.280 804 HB3 ASP 99 HB1 ASP 99 -23.563 10.751 11.343 805 H THR 100 HN THR 100 -24.440 7.632 14.431 806 HA THR 100 HA THR 100 -27.184 8.077 13.529 807 HB THR 100 HB THR 100 -26.031 5.910 15.324 808 HG1 THR 100 HG1 THR 100 -26.084 4.628 13.500 809 HG21 THR 100 HG21 THR 100 -28.706 6.082 13.909 810 HG22 THR 100 HG22 THR 100 -28.453 6.272 15.641 811 HG23 THR 100 HG23 THR 100 -28.134 4.721 14.866 812 H VAL 101 HN VAL 101 -25.380 7.533 16.490 813 HA VAL 101 HA VAL 101 -25.599 8.141 18.620 814 HB VAL 101 HB VAL 101 -26.039 10.913 17.487 815 HG11 VAL 101 HG11 VAL 101 -26.148 10.711 19.939 816 HG12 VAL 101 HG12 VAL 101 -24.752 11.657 19.416 817 HG13 VAL 101 HG13 VAL 101 -24.544 9.983 19.926 818 HG21 VAL 101 HG21 VAL 101 -24.260 9.806 16.237 819 HG22 VAL 101 HG22 VAL 101 -23.449 9.382 17.745 820 HG23 VAL 101 HG23 VAL 101 -23.605 11.074 17.274 821 H GLU 102 HN GLU 102 -27.747 6.947 18.435 822 HA GLU 102 HA GLU 102 -29.531 7.912 20.246 823 HB2 GLU 102 HB3 GLU 102 -30.285 9.507 18.467 824 HB3 GLU 102 HB2 GLU 102 -30.614 8.150 17.405 825 HG2 GLU 102 HG3 GLU 102 -32.673 8.965 18.361 826 HG3 GLU 102 HG2 GLU 102 -32.328 7.359 18.991 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 -5.570 -13.334 25.344 2 H2 GLY 1 HT2 GLY 1 -5.010 -11.857 24.794 3 H3 GLY 1 HT3 GLY 1 -4.441 -13.300 24.098 4 HA2 GLY 1 HA2 GLY 1 -7.199 -12.218 23.960 5 HA3 GLY 1 HA3 GLY 1 -6.039 -12.295 22.635 6 H HIS 2 HN HIS 2 -8.701 -13.512 22.888 7 HA HIS 2 HA HIS 2 -8.391 -16.301 23.368 8 HB2 HIS 2 HB2 HIS 2 -10.586 -15.242 23.595 9 HB3 HIS 2 HB1 HIS 2 -10.569 -14.783 21.901 10 HD1 HIS 2 HD1 HIS 2 -12.255 -16.234 20.690 11 HD2 HIS 2 HD2 HIS 2 -10.172 -18.342 23.603 12 HE1 HIS 2 HE1 HIS 2 -13.023 -18.622 20.514 13 H MET 3 HN MET 3 -8.182 -14.246 20.578 14 HA MET 3 HA MET 3 -7.545 -14.504 18.480 15 HB2 MET 3 HB2 MET 3 -5.530 -15.637 19.254 16 HB3 MET 3 HB1 MET 3 -6.398 -17.156 19.403 17 HG2 MET 3 HG2 MET 3 -4.984 -17.114 17.414 18 HG3 MET 3 HG1 MET 3 -6.689 -17.251 16.991 19 HE1 MET 3 HE1 MET 3 -6.175 -16.609 14.518 20 HE2 MET 3 HE2 MET 3 -4.461 -16.519 14.914 21 HE3 MET 3 HE3 MET 3 -5.237 -15.196 14.033 22 H LEU 4 HN LEU 4 -9.629 -14.419 17.858 23 HA LEU 4 HA LEU 4 -10.916 -16.955 17.175 24 HB2 LEU 4 HB2 LEU 4 -12.233 -15.334 18.509 25 HB3 LEU 4 HB1 LEU 4 -12.034 -14.145 17.240 26 HG LEU 4 HG LEU 4 -13.318 -15.621 15.710 27 HD11 LEU 4 HD11 LEU 4 -14.623 -17.462 16.650 28 HD12 LEU 4 HD12 LEU 4 -13.785 -17.269 18.190 29 HD13 LEU 4 HD13 LEU 4 -12.891 -17.763 16.753 30 HD21 LEU 4 HD21 LEU 4 -15.502 -15.180 16.717 31 HD22 LEU 4 HD22 LEU 4 -14.420 -13.798 16.885 32 HD23 LEU 4 HD23 LEU 4 -14.728 -14.854 18.265 33 H ARG 5 HN ARG 5 -11.360 -17.438 15.071 34 HA ARG 5 HA ARG 5 -11.231 -17.506 12.875 35 HB2 ARG 5 HB2 ARG 5 -12.273 -15.246 12.773 36 HB3 ARG 5 HB1 ARG 5 -10.688 -14.520 12.951 37 HG2 ARG 5 HG2 ARG 5 -10.003 -15.379 10.796 38 HG3 ARG 5 HG1 ARG 5 -11.536 -16.236 10.628 39 HD2 ARG 5 HD2 ARG 5 -11.214 -13.243 10.844 40 HD3 ARG 5 HD1 ARG 5 -11.521 -14.131 9.356 41 HE ARG 5 HE ARG 5 -13.504 -14.829 11.157 42 HH11 ARG 5 HH11 ARG 5 -12.485 -11.907 9.410 43 HH12 ARG 5 HH12 ARG 5 -14.026 -11.194 9.409 44 HH21 ARG 5 HH21 ARG 5 -15.631 -13.816 11.158 45 HH22 ARG 5 HH22 ARG 5 -15.857 -12.304 10.411 46 H THR 6 HN THR 6 -9.626 -18.805 12.633 47 HA THR 6 HA THR 6 -6.965 -18.056 13.250 48 HB THR 6 HB THR 6 -7.991 -20.590 11.940 49 HG1 THR 6 HG1 THR 6 -8.142 -21.362 14.031 50 HG21 THR 6 HG21 THR 6 -5.430 -20.009 13.455 51 HG22 THR 6 HG22 THR 6 -5.551 -20.238 11.708 52 HG23 THR 6 HG23 THR 6 -5.915 -21.574 12.799 53 H ALA 7 HN ALA 7 -6.499 -16.392 11.917 54 HA ALA 7 HA ALA 7 -5.163 -17.004 9.523 55 HB1 ALA 7 HB1 ALA 7 -7.412 -16.795 8.525 56 HB2 ALA 7 HB2 ALA 7 -6.445 -15.380 8.108 57 HB3 ALA 7 HB3 ALA 7 -7.660 -15.271 9.379 58 H GLY 8 HN GLY 8 -4.509 -14.593 8.681 59 HA2 GLY 8 HA3 GLY 8 -3.741 -13.186 11.130 60 HA3 GLY 8 HA2 GLY 8 -3.016 -12.970 9.532 61 H ARG 9 HN ARG 9 -4.432 -12.176 7.870 62 HA ARG 9 HA ARG 9 -6.860 -10.960 8.112 63 HB2 ARG 9 HB2 ARG 9 -5.723 -9.302 9.667 64 HB3 ARG 9 HB1 ARG 9 -4.592 -8.925 8.368 65 HG2 ARG 9 HG2 ARG 9 -6.623 -8.336 6.966 66 HG3 ARG 9 HG1 ARG 9 -7.547 -8.407 8.459 67 HD2 ARG 9 HD2 ARG 9 -6.232 -6.591 9.384 68 HD3 ARG 9 HD1 ARG 9 -5.173 -6.664 7.962 69 HE ARG 9 HE ARG 9 -7.707 -6.301 6.997 70 HH11 ARG 9 HH11 ARG 9 -5.823 -4.380 9.289 71 HH12 ARG 9 HH12 ARG 9 -6.148 -2.886 8.535 72 HH21 ARG 9 HH21 ARG 9 -8.250 -4.166 6.006 73 HH22 ARG 9 HH22 ARG 9 -7.549 -2.779 6.659 74 H ASP 10 HN ASP 10 -7.327 -9.944 6.056 75 HA ASP 10 HA ASP 10 -5.466 -10.714 4.016 76 HB2 ASP 10 HB2 ASP 10 -8.120 -9.272 3.760 77 HB3 ASP 10 HB1 ASP 10 -7.133 -9.778 2.400 78 H GLY 11 HN GLY 11 -3.860 -9.316 5.023 79 HA2 GLY 11 HA3 GLY 11 -4.071 -6.508 4.200 80 HA3 GLY 11 HA2 GLY 11 -2.862 -7.171 5.299 81 H LEU 12 HN LEU 12 -1.510 -8.899 4.331 82 HA LEU 12 HA LEU 12 0.121 -7.971 2.247 83 HB2 LEU 12 HB2 LEU 12 0.452 -9.777 4.122 84 HB3 LEU 12 HB1 LEU 12 -0.241 -10.860 2.972 85 HG LEU 12 HG LEU 12 2.337 -9.354 2.411 86 HD11 LEU 12 HD11 LEU 12 3.483 -11.446 2.902 87 HD12 LEU 12 HD12 LEU 12 1.954 -12.179 3.379 88 HD13 LEU 12 HD13 LEU 12 2.621 -10.844 4.319 89 HD21 LEU 12 HD21 LEU 12 2.660 -11.031 0.657 90 HD22 LEU 12 HD22 LEU 12 1.152 -10.149 0.395 91 HD23 LEU 12 HD23 LEU 12 1.115 -11.778 1.067 92 H CYS 13 HN CYS 13 -2.560 -10.135 2.379 93 HA CYS 13 HA CYS 13 -2.533 -11.312 -0.090 94 HB2 CYS 13 HB2 CYS 13 -4.875 -10.512 1.588 95 HB3 CYS 13 HB1 CYS 13 -4.823 -11.883 0.451 96 HG CYS 13 HG CYS 13 -3.466 -13.532 1.989 97 H ARG 14 HN ARG 14 -4.283 -8.341 0.928 98 HA ARG 14 HA ARG 14 -5.084 -7.937 -1.812 99 HB2 ARG 14 HB2 ARG 14 -6.349 -6.019 -1.068 100 HB3 ARG 14 HB1 ARG 14 -6.609 -7.311 0.083 101 HG2 ARG 14 HG2 ARG 14 -5.012 -6.246 1.613 102 HG3 ARG 14 HG1 ARG 14 -4.794 -4.936 0.449 103 HD2 ARG 14 HD2 ARG 14 -6.365 -4.124 2.006 104 HD3 ARG 14 HD1 ARG 14 -7.309 -4.588 0.593 105 HE ARG 14 HE ARG 14 -7.018 -6.529 2.731 106 HH11 ARG 14 HH11 ARG 14 -9.163 -4.227 1.038 107 HH12 ARG 14 HH12 ARG 14 -10.541 -4.690 1.911 108 HH21 ARG 14 HH21 ARG 14 -8.988 -7.118 3.945 109 HH22 ARG 14 HH22 ARG 14 -10.443 -6.349 3.551 110 H LEU 15 HN LEU 15 -2.616 -6.895 0.327 111 HA LEU 15 HA LEU 15 -1.607 -4.614 -0.845 112 HB2 LEU 15 HB2 LEU 15 -0.961 -5.579 1.316 113 HB3 LEU 15 HB1 LEU 15 -0.214 -6.917 0.484 114 HG LEU 15 HG LEU 15 1.500 -5.422 -0.406 115 HD11 LEU 15 HD11 LEU 15 1.621 -3.141 0.386 116 HD12 LEU 15 HD12 LEU 15 0.085 -3.340 1.227 117 HD13 LEU 15 HD13 LEU 15 0.143 -3.400 -0.536 118 HD21 LEU 15 HD21 LEU 15 2.595 -4.924 1.718 119 HD22 LEU 15 HD22 LEU 15 1.868 -6.531 1.720 120 HD23 LEU 15 HD23 LEU 15 1.072 -5.203 2.564 121 H SER 16 HN SER 16 -0.753 -8.035 -1.453 122 HA SER 16 HA SER 16 1.088 -7.406 -3.516 123 HB2 SER 16 HB2 SER 16 0.981 -9.908 -3.915 124 HB3 SER 16 HB1 SER 16 1.448 -9.412 -2.286 125 HG SER 16 HG SER 16 -0.455 -10.060 -1.516 126 H THR 17 HN THR 17 -2.276 -7.557 -3.453 127 HA THR 17 HA THR 17 -2.587 -8.264 -6.219 128 HB THR 17 HB THR 17 -4.607 -7.207 -4.206 129 HG1 THR 17 HG1 THR 17 -4.073 -9.251 -3.476 130 HG21 THR 17 HG21 THR 17 -5.017 -8.585 -6.876 131 HG22 THR 17 HG22 THR 17 -5.295 -6.877 -6.562 132 HG23 THR 17 HG23 THR 17 -6.293 -8.096 -5.760 133 H TYR 18 HN TYR 18 -2.981 -5.332 -4.218 134 HA TYR 18 HA TYR 18 -3.523 -3.644 -6.431 135 HB2 TYR 18 HB2 TYR 18 -2.798 -3.056 -3.576 136 HB3 TYR 18 HB1 TYR 18 -3.020 -1.770 -4.761 137 HD1 TYR 18 HD1 TYR 18 -4.682 -4.394 -2.818 138 HD2 TYR 18 HD2 TYR 18 -5.191 -1.280 -5.647 139 HE1 TYR 18 HE1 TYR 18 -7.101 -4.493 -2.468 140 HE2 TYR 18 HE2 TYR 18 -7.617 -1.362 -5.315 141 HH TYR 18 HH TYR 18 -9.056 -2.855 -2.759 142 H LEU 19 HN LEU 19 -0.553 -4.445 -4.746 143 HA LEU 19 HA LEU 19 0.964 -2.457 -6.085 144 HB2 LEU 19 HB2 LEU 19 1.848 -4.970 -4.665 145 HB3 LEU 19 HB1 LEU 19 2.952 -3.769 -5.297 146 HG LEU 19 HG LEU 19 0.927 -3.260 -3.075 147 HD11 LEU 19 HD11 LEU 19 2.698 -4.746 -2.378 148 HD12 LEU 19 HD12 LEU 19 2.841 -3.159 -1.627 149 HD13 LEU 19 HD13 LEU 19 3.907 -3.599 -2.964 150 HD21 LEU 19 HD21 LEU 19 3.120 -1.501 -4.189 151 HD22 LEU 19 HD22 LEU 19 2.095 -1.138 -2.805 152 HD23 LEU 19 HD23 LEU 19 1.391 -1.245 -4.404 153 H GLU 20 HN GLU 20 -0.269 -5.449 -7.106 154 HA GLU 20 HA GLU 20 1.626 -5.982 -9.188 155 HB2 GLU 20 HB3 GLU 20 -0.989 -7.077 -8.339 156 HB3 GLU 20 HB2 GLU 20 -0.595 -7.251 -10.041 157 HG2 GLU 20 HG3 GLU 20 1.294 -8.119 -7.880 158 HG3 GLU 20 HG2 GLU 20 0.013 -9.167 -8.493 159 H GLU 21 HN GLU 21 -1.062 -3.857 -8.826 160 HA GLU 21 HA GLU 21 -1.255 -3.493 -11.697 161 HB2 GLU 21 HB3 GLU 21 -2.978 -2.380 -9.457 162 HB3 GLU 21 HB2 GLU 21 -3.218 -2.019 -11.163 163 HG2 GLU 21 HG3 GLU 21 -3.490 -4.469 -11.569 164 HG3 GLU 21 HG2 GLU 21 -3.438 -4.709 -9.832 165 H LEU 22 HN LEU 22 0.930 -2.599 -9.766 166 HA LEU 22 HA LEU 22 1.079 0.203 -10.637 167 HB2 LEU 22 HB2 LEU 22 2.657 -1.267 -8.523 168 HB3 LEU 22 HB1 LEU 22 2.969 0.371 -9.019 169 HG LEU 22 HG LEU 22 0.564 -0.656 -7.542 170 HD11 LEU 22 HD11 LEU 22 1.376 0.911 -5.844 171 HD12 LEU 22 HD12 LEU 22 2.793 1.239 -6.841 172 HD13 LEU 22 HD13 LEU 22 2.525 -0.380 -6.188 173 HD21 LEU 22 HD21 LEU 22 -0.166 1.653 -7.471 174 HD22 LEU 22 HD22 LEU 22 -0.166 1.034 -9.123 175 HD23 LEU 22 HD23 LEU 22 1.117 2.122 -8.585 176 H GLU 23 HN GLU 23 2.476 0.689 -12.186 177 HA GLU 23 HA GLU 23 4.104 -1.410 -13.298 178 HB2 GLU 23 HB3 GLU 23 4.607 0.158 -15.091 179 HB3 GLU 23 HB2 GLU 23 2.887 0.180 -14.727 180 HG2 GLU 23 HG3 GLU 23 3.024 2.236 -13.633 181 HG3 GLU 23 HG2 GLU 23 4.790 2.195 -13.625 182 H ALA 24 HN ALA 24 6.357 -0.315 -14.164 183 HA ALA 24 HA ALA 24 8.137 -0.546 -12.093 184 HB1 ALA 24 HB1 ALA 24 9.827 0.243 -13.599 185 HB2 ALA 24 HB2 ALA 24 8.617 1.020 -14.611 186 HB3 ALA 24 HB3 ALA 24 8.671 -0.740 -14.500 187 H VAL 25 HN VAL 25 7.082 2.511 -13.605 188 HA VAL 25 HA VAL 25 8.614 4.093 -11.848 189 HB VAL 25 HB VAL 25 7.884 5.034 -14.005 190 HG11 VAL 25 HG11 VAL 25 5.146 5.071 -12.783 191 HG12 VAL 25 HG12 VAL 25 5.653 4.066 -14.151 192 HG13 VAL 25 HG13 VAL 25 5.590 5.827 -14.311 193 HG21 VAL 25 HG21 VAL 25 6.745 6.519 -11.691 194 HG22 VAL 25 HG22 VAL 25 7.201 7.227 -13.245 195 HG23 VAL 25 HG23 VAL 25 8.445 6.556 -12.168 196 H GLU 26 HN GLU 26 5.335 2.903 -11.628 197 HA GLU 26 HA GLU 26 4.512 4.581 -9.519 198 HB2 GLU 26 HB3 GLU 26 3.582 1.805 -10.224 199 HB3 GLU 26 HB2 GLU 26 2.748 2.972 -9.182 200 HG2 GLU 26 HG3 GLU 26 3.420 3.529 -12.030 201 HG3 GLU 26 HG2 GLU 26 1.898 2.722 -11.599 202 H LEU 27 HN LEU 27 5.873 1.306 -9.598 203 HA LEU 27 HA LEU 27 5.980 0.945 -6.802 204 HB2 LEU 27 HB2 LEU 27 7.623 -0.307 -9.002 205 HB3 LEU 27 HB1 LEU 27 7.691 -0.824 -7.335 206 HG LEU 27 HG LEU 27 5.212 -0.964 -9.065 207 HD11 LEU 27 HD11 LEU 27 5.632 -3.370 -9.115 208 HD12 LEU 27 HD12 LEU 27 7.150 -3.130 -8.248 209 HD13 LEU 27 HD13 LEU 27 6.951 -2.479 -9.873 210 HD21 LEU 27 HD21 LEU 27 4.364 -2.404 -7.268 211 HD22 LEU 27 HD22 LEU 27 4.709 -0.779 -6.686 212 HD23 LEU 27 HD23 LEU 27 5.827 -2.099 -6.332 213 H LYS 28 HN LYS 28 8.161 2.364 -9.093 214 HA LYS 28 HA LYS 28 10.483 2.625 -7.557 215 HB2 LYS 28 HB2 LYS 28 10.237 2.964 -10.048 216 HB3 LYS 28 HB1 LYS 28 9.399 4.452 -9.719 217 HG2 LYS 28 HG2 LYS 28 12.251 3.990 -8.889 218 HG3 LYS 28 HG1 LYS 28 11.811 4.589 -10.485 219 HD2 LYS 28 HD2 LYS 28 10.611 6.466 -9.338 220 HD3 LYS 28 HD1 LYS 28 11.301 5.895 -7.815 221 HE2 LYS 28 HE2 LYS 28 12.807 6.839 -10.251 222 HE3 LYS 28 HE1 LYS 28 12.648 7.694 -8.721 223 HZ1 LYS 28 HZ1 LYS 28 14.025 5.072 -9.054 224 HZ2 LYS 28 HZ2 LYS 28 13.930 6.003 -7.640 225 HZ3 LYS 28 HZ3 LYS 28 14.771 6.575 -8.960 226 H LYS 29 HN LYS 29 7.735 4.760 -8.005 227 HA LYS 29 HA LYS 29 8.645 6.876 -6.332 228 HB2 LYS 29 HB2 LYS 29 5.916 6.070 -7.237 229 HB3 LYS 29 HB1 LYS 29 6.246 7.592 -6.420 230 HG2 LYS 29 HG2 LYS 29 7.783 8.241 -8.281 231 HG3 LYS 29 HG1 LYS 29 7.367 6.748 -9.096 232 HD2 LYS 29 HD2 LYS 29 5.342 8.863 -8.359 233 HD3 LYS 29 HD1 LYS 29 6.158 8.788 -9.922 234 HE2 LYS 29 HE2 LYS 29 5.234 6.510 -10.235 235 HE3 LYS 29 HE1 LYS 29 4.358 6.689 -8.720 236 HZ1 LYS 29 HZ1 LYS 29 3.077 7.147 -10.762 237 HZ2 LYS 29 HZ2 LYS 29 4.007 8.547 -11.008 238 HZ3 LYS 29 HZ3 LYS 29 3.039 8.406 -9.634 239 H PHE 30 HN PHE 30 6.444 4.204 -5.908 240 HA PHE 30 HA PHE 30 5.585 4.769 -3.359 241 HB2 PHE 30 HB2 PHE 30 4.165 3.238 -4.172 242 HB3 PHE 30 HB1 PHE 30 5.361 2.606 -5.281 243 HD1 PHE 30 HD2 PHE 30 3.920 2.276 -1.851 244 HD2 PHE 30 HD1 PHE 30 6.483 0.664 -4.827 245 HE1 PHE 30 HE2 PHE 30 3.985 0.207 -0.636 246 HE2 PHE 30 HE1 PHE 30 6.567 -1.477 -3.579 247 HZ PHE 30 HZ PHE 30 5.316 -1.702 -1.476 248 H LYS 31 HN LYS 31 8.325 2.757 -4.353 249 HA LYS 31 HA LYS 31 8.857 1.918 -1.675 250 HB2 LYS 31 HB2 LYS 31 10.828 0.846 -2.539 251 HB3 LYS 31 HB1 LYS 31 9.496 0.561 -3.642 252 HG2 LYS 31 HG2 LYS 31 10.394 2.369 -5.099 253 HG3 LYS 31 HG1 LYS 31 11.783 2.490 -4.019 254 HD2 LYS 31 HD2 LYS 31 12.207 0.057 -4.422 255 HD3 LYS 31 HD1 LYS 31 10.921 0.099 -5.628 256 HE2 LYS 31 HE2 LYS 31 12.192 1.811 -6.873 257 HE3 LYS 31 HE1 LYS 31 13.471 1.681 -5.665 258 HZ1 LYS 31 HZ1 LYS 31 14.006 0.306 -7.578 259 HZ2 LYS 31 HZ2 LYS 31 12.540 -0.460 -7.480 260 HZ3 LYS 31 HZ3 LYS 31 13.663 -0.705 -6.263 261 H LEU 32 HN LEU 32 9.912 4.674 -3.531 262 HA LEU 32 HA LEU 32 11.964 5.181 -1.600 263 HB2 LEU 32 HB2 LEU 32 12.463 7.211 -2.780 264 HB3 LEU 32 HB1 LEU 32 12.249 5.920 -3.929 265 HG LEU 32 HG LEU 32 9.839 6.961 -4.211 266 HD11 LEU 32 HD11 LEU 32 9.973 8.548 -2.397 267 HD12 LEU 32 HD12 LEU 32 9.796 9.373 -3.947 268 HD13 LEU 32 HD13 LEU 32 11.371 9.318 -3.149 269 HD21 LEU 32 HD21 LEU 32 12.341 8.236 -5.259 270 HD22 LEU 32 HD22 LEU 32 10.735 8.366 -5.995 271 HD23 LEU 32 HD23 LEU 32 11.562 6.805 -5.918 272 H TYR 33 HN TYR 33 8.683 6.115 -2.143 273 HA TYR 33 HA TYR 33 8.511 8.252 -0.371 274 HB2 TYR 33 HB2 TYR 33 6.736 7.828 -1.967 275 HB3 TYR 33 HB1 TYR 33 6.393 6.272 -1.221 276 HD1 TYR 33 HD2 TYR 33 5.214 6.148 0.898 277 HD2 TYR 33 HD1 TYR 33 5.988 9.883 -0.935 278 HE1 TYR 33 HE2 TYR 33 3.609 7.185 2.425 279 HE2 TYR 33 HE1 TYR 33 4.368 10.964 0.607 280 HH TYR 33 HH TYR 33 3.169 9.325 3.363 281 H LEU 34 HN LEU 34 7.836 4.805 0.206 282 HA LEU 34 HA LEU 34 7.660 5.461 3.050 283 HB2 LEU 34 HB2 LEU 34 6.791 3.159 3.328 284 HB3 LEU 34 HB1 LEU 34 5.811 4.222 2.342 285 HG LEU 34 HG LEU 34 6.665 3.029 0.317 286 HD11 LEU 34 HD11 LEU 34 7.802 1.070 2.315 287 HD12 LEU 34 HD12 LEU 34 8.736 2.080 1.213 288 HD13 LEU 34 HD13 LEU 34 7.676 0.822 0.573 289 HD21 LEU 34 HD21 LEU 34 4.535 2.564 1.284 290 HD22 LEU 34 HD22 LEU 34 5.275 1.429 2.418 291 HD23 LEU 34 HD23 LEU 34 5.275 1.074 0.682 292 H GLY 35 HN GLY 35 10.002 4.504 0.993 293 HA2 GLY 35 HA3 GLY 35 11.120 2.839 3.034 294 HA3 GLY 35 HA2 GLY 35 11.722 2.887 1.365 295 H THR 36 HN THR 36 12.234 5.459 0.912 296 HA THR 36 HA THR 36 14.515 5.909 2.651 297 HB THR 36 HB THR 36 15.237 7.580 0.985 298 HG1 THR 36 HG1 THR 36 12.578 7.424 0.169 299 HG21 THR 36 HG21 THR 36 14.238 5.033 -0.286 300 HG22 THR 36 HG22 THR 36 15.805 5.248 0.505 301 HG23 THR 36 HG23 THR 36 15.424 6.116 -0.991 302 H ALA 37 HN ALA 37 11.539 6.572 3.102 303 HA ALA 37 HA ALA 37 10.945 9.241 3.241 304 HB1 ALA 37 HB1 ALA 37 9.300 7.509 3.541 305 HB2 ALA 37 HB2 ALA 37 9.266 8.594 4.939 306 HB3 ALA 37 HB3 ALA 37 10.061 7.019 5.040 307 H THR 38 HN THR 38 11.775 10.869 4.303 308 HA THR 38 HA THR 38 13.677 10.686 6.379 309 HB THR 38 HB THR 38 11.990 13.074 5.629 310 HG1 THR 38 HG1 THR 38 14.449 12.441 4.371 311 HG21 THR 38 HG21 THR 38 13.483 13.396 7.557 312 HG22 THR 38 HG22 THR 38 14.049 14.340 6.178 313 HG23 THR 38 HG23 THR 38 14.852 12.831 6.602 314 H GLU 39 HN GLU 39 10.303 10.973 6.181 315 HA GLU 39 HA GLU 39 9.660 11.969 8.772 316 HB2 GLU 39 HB3 GLU 39 8.004 10.427 6.802 317 HB3 GLU 39 HB2 GLU 39 7.375 11.257 8.225 318 HG2 GLU 39 HG3 GLU 39 8.095 13.354 7.414 319 HG3 GLU 39 HG2 GLU 39 8.980 12.564 6.111 320 H LEU 40 HN LEU 40 10.612 8.940 7.725 321 HA LEU 40 HA LEU 40 9.402 7.518 9.981 322 HB2 LEU 40 HB2 LEU 40 11.359 6.574 7.907 323 HB3 LEU 40 HB1 LEU 40 10.596 5.572 9.115 324 HG LEU 40 HG LEU 40 9.243 7.001 6.830 325 HD11 LEU 40 HD11 LEU 40 10.529 5.070 6.112 326 HD12 LEU 40 HD12 LEU 40 8.808 4.735 5.986 327 HD13 LEU 40 HD13 LEU 40 9.740 4.070 7.327 328 HD21 LEU 40 HD21 LEU 40 7.233 5.751 7.450 329 HD22 LEU 40 HD22 LEU 40 7.716 6.902 8.692 330 HD23 LEU 40 HD23 LEU 40 8.041 5.175 8.913 331 H GLY 41 HN GLY 41 12.054 9.316 9.333 332 HA2 GLY 41 HA3 GLY 41 13.498 9.963 11.203 333 HA3 GLY 41 HA2 GLY 41 13.543 8.258 11.651 334 H GLU 42 HN GLU 42 14.136 6.884 9.751 335 HA GLU 42 HA GLU 42 16.382 7.981 8.192 336 HB2 GLU 42 HB3 GLU 42 17.189 6.646 10.151 337 HB3 GLU 42 HB2 GLU 42 16.244 5.281 9.574 338 HG2 GLU 42 HG3 GLU 42 18.531 4.943 8.993 339 HG3 GLU 42 HG2 GLU 42 17.617 5.264 7.520 340 H GLY 43 HN GLY 43 14.119 5.322 8.749 341 HA2 GLY 43 HA3 GLY 43 12.566 5.135 6.767 342 HA3 GLY 43 HA2 GLY 43 14.070 4.719 5.935 343 H LYS 44 HN LYS 44 11.517 3.371 7.249 344 HA LYS 44 HA LYS 44 12.563 1.241 8.779 345 HB2 LYS 44 HB2 LYS 44 10.012 1.721 7.361 346 HB3 LYS 44 HB1 LYS 44 10.452 0.033 7.533 347 HG2 LYS 44 HG2 LYS 44 9.029 0.648 9.355 348 HG3 LYS 44 HG1 LYS 44 10.657 0.388 9.972 349 HD2 LYS 44 HD2 LYS 44 10.995 2.856 9.908 350 HD3 LYS 44 HD1 LYS 44 9.295 3.024 9.463 351 HE2 LYS 44 HE2 LYS 44 10.374 1.794 12.014 352 HE3 LYS 44 HE1 LYS 44 9.581 3.359 11.852 353 HZ1 LYS 44 HZ1 LYS 44 8.087 1.738 12.718 354 HZ2 LYS 44 HZ2 LYS 44 8.292 0.707 11.411 355 HZ3 LYS 44 HZ3 LYS 44 7.547 2.210 11.204 356 H ILE 45 HN ILE 45 12.372 1.833 5.403 357 HA ILE 45 HA ILE 45 13.386 -0.813 4.741 358 HB ILE 45 HB ILE 45 12.610 1.484 2.928 359 HG12 ILE 45 HG12 ILE 45 10.648 0.677 4.197 360 HG13 ILE 45 HG11 ILE 45 10.516 0.309 2.482 361 HG21 ILE 45 HG21 ILE 45 14.157 -0.046 1.891 362 HG22 ILE 45 HG22 ILE 45 12.552 -0.211 1.166 363 HG23 ILE 45 HG23 ILE 45 13.132 -1.412 2.322 364 HD11 ILE 45 HD11 ILE 45 9.740 -1.546 3.826 365 HD12 ILE 45 HD12 ILE 45 11.290 -1.608 4.668 366 HD13 ILE 45 HD13 ILE 45 11.206 -1.973 2.940 367 HA PRO 46 HA PRO 46 17.423 1.165 4.660 368 HB2 PRO 46 HB2 PRO 46 18.817 -0.927 3.645 369 HB3 PRO 46 HB1 PRO 46 18.307 -0.853 5.335 370 HG2 PRO 46 HG2 PRO 46 17.006 -2.246 3.033 371 HG3 PRO 46 HG1 PRO 46 17.328 -2.866 4.674 372 HD2 PRO 46 HD2 PRO 46 14.918 -1.971 3.902 373 HD3 PRO 46 HD1 PRO 46 15.506 -1.723 5.558 374 H TRP 47 HN TRP 47 19.068 1.550 3.065 375 HA TRP 47 HA TRP 47 18.384 3.009 0.977 376 HB2 TRP 47 HB2 TRP 47 20.679 2.798 0.139 377 HB3 TRP 47 HB1 TRP 47 20.602 3.016 1.883 378 HD1 TRP 47 HD1 TRP 47 21.788 0.626 -0.798 379 HE1 TRP 47 HE1 TRP 47 23.090 -1.315 0.278 380 HE3 TRP 47 HE3 TRP 47 20.728 1.531 4.126 381 HZ2 TRP 47 HZ2 TRP 47 23.607 -2.326 2.846 382 HZ3 TRP 47 HZ3 TRP 47 21.672 0.025 5.827 383 HH2 TRP 47 HH2 TRP 47 23.080 -1.864 5.197 384 H GLY 48 HN GLY 48 18.894 -0.514 0.582 385 HA2 GLY 48 HA3 GLY 48 17.587 -0.249 -2.000 386 HA3 GLY 48 HA2 GLY 48 19.257 -0.772 -2.056 387 H SER 49 HN SER 49 16.682 -1.720 0.265 388 HA SER 49 HA SER 49 17.318 -4.461 -0.339 389 HB2 SER 49 HB2 SER 49 15.457 -4.916 1.309 390 HB3 SER 49 HB1 SER 49 16.785 -3.947 1.948 391 HG SER 49 HG SER 49 14.362 -3.321 2.115 392 H MET 50 HN MET 50 15.159 -2.087 -1.351 393 HA MET 50 HA MET 50 13.480 -4.011 -2.766 394 HB2 MET 50 HB2 MET 50 11.972 -1.913 -3.022 395 HB3 MET 50 HB1 MET 50 11.992 -2.791 -1.508 396 HG2 MET 50 HG2 MET 50 11.970 -0.372 -1.174 397 HG3 MET 50 HG1 MET 50 13.401 -1.123 -0.508 398 HE1 MET 50 HE1 MET 50 14.491 1.326 -0.276 399 HE2 MET 50 HE2 MET 50 13.028 2.019 -0.980 400 HE3 MET 50 HE3 MET 50 14.609 2.460 -1.622 401 H GLU 51 HN GLU 51 16.099 -3.112 -3.562 402 HA GLU 51 HA GLU 51 16.149 -1.139 -5.524 403 HB2 GLU 51 HB3 GLU 51 17.941 -2.966 -4.432 404 HB3 GLU 51 HB2 GLU 51 17.855 -3.422 -6.123 405 HG2 GLU 51 HG3 GLU 51 18.592 -0.720 -5.027 406 HG3 GLU 51 HG2 GLU 51 19.674 -1.898 -5.766 407 H LYS 52 HN LYS 52 15.746 -4.667 -5.928 408 HA LYS 52 HA LYS 52 14.564 -4.182 -8.594 409 HB2 LYS 52 HB2 LYS 52 16.001 -6.640 -7.585 410 HB3 LYS 52 HB1 LYS 52 15.318 -6.431 -9.185 411 HG2 LYS 52 HG2 LYS 52 17.643 -4.919 -8.012 412 HG3 LYS 52 HG1 LYS 52 17.724 -6.190 -9.226 413 HD2 LYS 52 HD2 LYS 52 16.309 -4.706 -10.696 414 HD3 LYS 52 HD1 LYS 52 16.553 -3.428 -9.503 415 HE2 LYS 52 HE2 LYS 52 18.673 -4.860 -11.088 416 HE3 LYS 52 HE1 LYS 52 18.175 -3.183 -11.265 417 HZ1 LYS 52 HZ1 LYS 52 19.488 -4.337 -8.859 418 HZ2 LYS 52 HZ2 LYS 52 19.033 -2.727 -9.036 419 HZ3 LYS 52 HZ3 LYS 52 20.232 -3.375 -10.017 420 H ALA 53 HN ALA 53 13.345 -4.352 -5.844 421 HA ALA 53 HA ALA 53 12.004 -6.890 -5.731 422 HB1 ALA 53 HB1 ALA 53 11.498 -4.388 -4.129 423 HB2 ALA 53 HB2 ALA 53 12.567 -5.714 -3.673 424 HB3 ALA 53 HB3 ALA 53 10.829 -5.982 -3.795 425 H GLY 54 HN GLY 54 10.001 -7.439 -6.373 426 HA2 GLY 54 HA3 GLY 54 8.443 -5.406 -7.754 427 HA3 GLY 54 HA2 GLY 54 8.380 -7.148 -8.042 428 HA PRO 55 HA PRO 55 4.733 -5.591 -5.538 429 HB2 PRO 55 HB2 PRO 55 3.592 -7.949 -6.939 430 HB3 PRO 55 HB1 PRO 55 2.910 -6.334 -6.704 431 HG2 PRO 55 HG2 PRO 55 3.898 -7.024 -9.062 432 HG3 PRO 55 HG1 PRO 55 4.179 -5.401 -8.405 433 HD2 PRO 55 HD2 PRO 55 6.096 -7.733 -8.512 434 HD3 PRO 55 HD1 PRO 55 6.377 -6.004 -8.768 435 H LEU 56 HN LEU 56 5.751 -8.965 -5.982 436 HA LEU 56 HA LEU 56 4.385 -9.844 -3.584 437 HB2 LEU 56 HB2 LEU 56 6.452 -11.266 -5.284 438 HB3 LEU 56 HB1 LEU 56 5.656 -11.985 -3.910 439 HG LEU 56 HG LEU 56 4.632 -12.871 -5.835 440 HD11 LEU 56 HD11 LEU 56 3.077 -12.395 -4.089 441 HD12 LEU 56 HD12 LEU 56 2.312 -12.193 -5.665 442 HD13 LEU 56 HD13 LEU 56 2.799 -10.776 -4.734 443 HD21 LEU 56 HD21 LEU 56 5.336 -11.246 -7.497 444 HD22 LEU 56 HD22 LEU 56 4.214 -10.057 -6.841 445 HD23 LEU 56 HD23 LEU 56 3.596 -11.520 -7.613 446 H GLU 57 HN GLU 57 7.659 -9.108 -4.470 447 HA GLU 57 HA GLU 57 8.828 -9.742 -1.972 448 HB2 GLU 57 HB3 GLU 57 9.707 -7.857 -4.151 449 HB3 GLU 57 HB2 GLU 57 10.715 -8.371 -2.800 450 HG2 GLU 57 HG3 GLU 57 10.853 -10.546 -3.571 451 HG3 GLU 57 HG2 GLU 57 9.453 -10.371 -4.628 452 H MET 58 HN MET 58 7.588 -6.765 -3.373 453 HA MET 58 HA MET 58 8.181 -4.992 -1.269 454 HB2 MET 58 HB2 MET 58 5.966 -4.969 -3.300 455 HB3 MET 58 HB1 MET 58 6.257 -3.633 -2.199 456 HG2 MET 58 HG2 MET 58 8.352 -4.729 -3.996 457 HG3 MET 58 HG1 MET 58 7.260 -3.475 -4.592 458 HE1 MET 58 HE1 MET 58 10.153 -2.998 -4.982 459 HE2 MET 58 HE2 MET 58 10.425 -1.414 -4.254 460 HE3 MET 58 HE3 MET 58 8.949 -1.724 -5.165 461 H ALA 59 HN ALA 59 5.331 -6.993 -1.876 462 HA ALA 59 HA ALA 59 3.809 -6.054 0.263 463 HB1 ALA 59 HB1 ALA 59 3.800 -8.823 -0.945 464 HB2 ALA 59 HB2 ALA 59 2.888 -7.440 -1.547 465 HB3 ALA 59 HB3 ALA 59 2.518 -8.122 0.038 466 H GLN 60 HN GLN 60 6.176 -8.661 0.093 467 HA GLN 60 HA GLN 60 5.807 -9.394 2.831 468 HB2 GLN 60 HB2 GLN 60 8.082 -10.093 0.975 469 HB3 GLN 60 HB1 GLN 60 7.707 -10.870 2.508 470 HG2 GLN 60 HG2 GLN 60 5.516 -11.568 1.555 471 HG3 GLN 60 HG1 GLN 60 6.025 -10.868 0.033 472 HE21 GLN 60 HE21 GLN 60 5.396 -13.625 0.738 473 HE22 GLN 60 HE22 GLN 60 6.763 -14.551 0.264 474 H LEU 61 HN LEU 61 7.777 -7.184 1.110 475 HA LEU 61 HA LEU 61 9.816 -6.632 2.978 476 HB2 LEU 61 HB2 LEU 61 9.637 -5.931 0.549 477 HB3 LEU 61 HB1 LEU 61 8.463 -4.747 1.064 478 HG LEU 61 HG LEU 61 10.293 -3.808 2.550 479 HD11 LEU 61 HD11 LEU 61 12.577 -4.241 1.795 480 HD12 LEU 61 HD12 LEU 61 11.951 -5.446 0.667 481 HD13 LEU 61 HD13 LEU 61 11.813 -5.717 2.407 482 HD21 LEU 61 HD21 LEU 61 10.500 -3.686 -0.448 483 HD22 LEU 61 HD22 LEU 61 11.228 -2.529 0.667 484 HD23 LEU 61 HD23 LEU 61 9.472 -2.681 0.577 485 H LEU 62 HN LEU 62 6.849 -4.856 2.169 486 HA LEU 62 HA LEU 62 6.861 -3.024 4.209 487 HB2 LEU 62 HB2 LEU 62 4.641 -4.199 2.565 488 HB3 LEU 62 HB1 LEU 62 4.306 -3.056 3.826 489 HG LEU 62 HG LEU 62 5.281 -1.224 2.565 490 HD11 LEU 62 HD11 LEU 62 6.407 -3.242 0.697 491 HD12 LEU 62 HD12 LEU 62 7.308 -2.340 1.918 492 HD13 LEU 62 HD13 LEU 62 6.533 -1.478 0.579 493 HD21 LEU 62 HD21 LEU 62 3.127 -1.981 1.800 494 HD22 LEU 62 HD22 LEU 62 3.917 -3.108 0.696 495 HD23 LEU 62 HD23 LEU 62 4.116 -1.372 0.468 496 H ILE 63 HN ILE 63 5.355 -6.223 4.036 497 HA ILE 63 HA ILE 63 3.973 -6.088 6.481 498 HB ILE 63 HB ILE 63 3.853 -7.777 4.398 499 HG12 ILE 63 HG12 ILE 63 2.212 -7.520 6.219 500 HG13 ILE 63 HG11 ILE 63 2.307 -9.155 5.605 501 HG21 ILE 63 HG21 ILE 63 5.374 -9.426 6.400 502 HG22 ILE 63 HG22 ILE 63 5.975 -8.887 4.836 503 HG23 ILE 63 HG23 ILE 63 4.631 -10.026 4.914 504 HD11 ILE 63 HD11 ILE 63 3.460 -8.107 8.184 505 HD12 ILE 63 HD12 ILE 63 3.706 -9.745 7.578 506 HD13 ILE 63 HD13 ILE 63 2.085 -9.200 8.008 507 H THR 64 HN THR 64 7.284 -6.941 5.782 508 HA THR 64 HA THR 64 7.717 -8.117 8.364 509 HB THR 64 HB THR 64 9.718 -7.349 6.217 510 HG1 THR 64 HG1 THR 64 8.561 -8.945 5.359 511 HG21 THR 64 HG21 THR 64 10.025 -9.190 8.611 512 HG22 THR 64 HG22 THR 64 10.775 -7.601 8.442 513 HG23 THR 64 HG23 THR 64 11.235 -8.916 7.357 514 H HIS 65 HN HIS 65 8.173 -4.976 6.919 515 HA HIS 65 HA HIS 65 9.667 -4.128 9.275 516 HB2 HIS 65 HB2 HIS 65 9.132 -2.633 6.701 517 HB3 HIS 65 HB1 HIS 65 10.039 -1.990 8.066 518 HD1 HIS 65 HD1 HIS 65 12.438 -3.039 8.483 519 HD2 HIS 65 HD2 HIS 65 10.479 -4.407 5.094 520 HE1 HIS 65 HE1 HIS 65 14.173 -4.218 7.121 521 H PHE 66 HN PHE 66 6.819 -3.006 7.473 522 HA PHE 66 HA PHE 66 6.076 -1.230 9.554 523 HB2 PHE 66 HB2 PHE 66 4.607 -2.147 7.089 524 HB3 PHE 66 HB1 PHE 66 4.074 -0.834 8.151 525 HD1 PHE 66 HD1 PHE 66 5.390 1.163 8.352 526 HD2 PHE 66 HD2 PHE 66 6.360 -1.867 5.599 527 HE1 PHE 66 HE1 PHE 66 6.945 2.726 7.190 528 HE2 PHE 66 HE2 PHE 66 7.890 -0.358 4.402 529 HZ PHE 66 HZ PHE 66 8.192 1.934 5.214 530 H GLY 67 HN GLY 67 4.601 -4.204 8.305 531 HA2 GLY 67 HA3 GLY 67 4.036 -5.748 10.261 532 HA3 GLY 67 HA2 GLY 67 3.036 -4.404 10.799 533 HA PRO 68 HA PRO 68 0.891 -7.370 7.743 534 HB2 PRO 68 HB2 PRO 68 -1.253 -7.923 9.385 535 HB3 PRO 68 HB1 PRO 68 0.190 -8.928 9.252 536 HG2 PRO 68 HG2 PRO 68 -0.510 -6.877 11.309 537 HG3 PRO 68 HG1 PRO 68 0.265 -8.451 11.527 538 HD2 PRO 68 HD2 PRO 68 1.672 -6.160 11.560 539 HD3 PRO 68 HD1 PRO 68 2.365 -7.631 10.875 540 H GLU 69 HN GLU 69 -0.607 -5.018 9.910 541 HA GLU 69 HA GLU 69 -2.567 -4.437 7.821 542 HB2 GLU 69 HB3 GLU 69 -2.436 -3.434 10.667 543 HB3 GLU 69 HB2 GLU 69 -3.774 -3.220 9.547 544 HG2 GLU 69 HG3 GLU 69 -4.034 -5.688 9.474 545 HG3 GLU 69 HG2 GLU 69 -2.796 -5.809 10.719 546 H GLU 70 HN GLU 70 0.230 -3.220 9.356 547 HA GLU 70 HA GLU 70 -0.166 -0.477 8.621 548 HB2 GLU 70 HB3 GLU 70 1.246 -1.414 10.552 549 HB3 GLU 70 HB2 GLU 70 2.475 -1.707 9.328 550 HG2 GLU 70 HG3 GLU 70 2.839 0.421 10.441 551 HG3 GLU 70 HG2 GLU 70 2.467 0.655 8.731 552 H ALA 71 HN ALA 71 1.494 -3.226 7.237 553 HA ALA 71 HA ALA 71 2.908 -2.048 5.128 554 HB1 ALA 71 HB1 ALA 71 3.043 -4.415 5.689 555 HB2 ALA 71 HB2 ALA 71 2.571 -4.229 3.996 556 HB3 ALA 71 HB3 ALA 71 1.372 -4.650 5.214 557 H TRP 72 HN TRP 72 -0.442 -3.075 5.321 558 HA TRP 72 HA TRP 72 -1.037 -2.412 2.662 559 HB2 TRP 72 HB2 TRP 72 -2.409 -4.073 3.685 560 HB3 TRP 72 HB1 TRP 72 -2.811 -3.004 5.025 561 HD1 TRP 72 HD1 TRP 72 -5.280 -2.456 4.829 562 HE1 TRP 72 HE1 TRP 72 -6.855 -1.669 2.959 563 HE3 TRP 72 HE3 TRP 72 -2.056 -2.686 0.875 564 HZ2 TRP 72 HZ2 TRP 72 -6.744 -1.177 0.222 565 HZ3 TRP 72 HZ3 TRP 72 -2.884 -2.033 -1.363 566 HH2 TRP 72 HH2 TRP 72 -5.180 -1.298 -1.676 567 H ARG 73 HN ARG 73 -1.571 -0.669 5.712 568 HA ARG 73 HA ARG 73 -2.926 1.443 4.471 569 HB2 ARG 73 HB2 ARG 73 -2.998 1.151 6.911 570 HB3 ARG 73 HB1 ARG 73 -1.293 1.580 7.017 571 HG2 ARG 73 HG2 ARG 73 -1.792 3.803 6.110 572 HG3 ARG 73 HG1 ARG 73 -3.493 3.377 6.017 573 HD2 ARG 73 HD2 ARG 73 -3.070 4.728 7.969 574 HD3 ARG 73 HD1 ARG 73 -3.536 3.102 8.453 575 HE ARG 73 HE ARG 73 -1.095 2.696 8.810 576 HH11 ARG 73 HH11 ARG 73 -2.128 6.077 8.751 577 HH12 ARG 73 HH12 ARG 73 -1.143 6.523 10.074 578 HH21 ARG 73 HH21 ARG 73 0.258 3.313 10.565 579 HH22 ARG 73 HH22 ARG 73 0.264 4.923 11.121 580 H LEU 74 HN LEU 74 0.467 0.920 5.194 581 HA LEU 74 HA LEU 74 1.514 3.315 4.291 582 HB2 LEU 74 HB2 LEU 74 2.515 0.601 4.744 583 HB3 LEU 74 HB1 LEU 74 3.408 1.493 3.538 584 HG LEU 74 HG LEU 74 4.353 1.600 5.856 585 HD11 LEU 74 HD11 LEU 74 3.558 4.218 4.589 586 HD12 LEU 74 HD12 LEU 74 4.960 3.212 4.191 587 HD13 LEU 74 HD13 LEU 74 4.860 3.978 5.762 588 HD21 LEU 74 HD21 LEU 74 2.207 1.775 7.068 589 HD22 LEU 74 HD22 LEU 74 1.982 3.393 6.401 590 HD23 LEU 74 HD23 LEU 74 3.332 3.066 7.488 591 H ALA 75 HN ALA 75 0.798 0.373 2.442 592 HA ALA 75 HA ALA 75 1.787 1.322 -0.020 593 HB1 ALA 75 HB1 ALA 75 0.421 -0.393 -1.045 594 HB2 ALA 75 HB2 ALA 75 -0.409 -0.663 0.492 595 HB3 ALA 75 HB3 ALA 75 1.318 -1.005 0.336 596 H LEU 76 HN LEU 76 -1.559 1.303 1.251 597 HA LEU 76 HA LEU 76 -2.560 2.579 -1.048 598 HB2 LEU 76 HB2 LEU 76 -4.688 2.792 0.084 599 HB3 LEU 76 HB1 LEU 76 -4.002 1.225 0.415 600 HG LEU 76 HG LEU 76 -3.228 2.372 2.650 601 HD11 LEU 76 HD11 LEU 76 -5.587 4.061 1.895 602 HD12 LEU 76 HD12 LEU 76 -3.929 4.624 2.105 603 HD13 LEU 76 HD13 LEU 76 -4.836 4.010 3.493 604 HD21 LEU 76 HD21 LEU 76 -6.071 1.539 2.134 605 HD22 LEU 76 HD22 LEU 76 -5.299 1.657 3.718 606 HD23 LEU 76 HD23 LEU 76 -4.711 0.489 2.537 607 H SER 77 HN SER 77 -1.374 3.898 1.979 608 HA SER 77 HA SER 77 -2.241 6.530 1.347 609 HB2 SER 77 HB2 SER 77 -1.880 5.585 3.666 610 HB3 SER 77 HB1 SER 77 -0.150 5.729 3.379 611 HG SER 77 HG SER 77 -1.820 7.914 2.920 612 H THR 78 HN THR 78 0.416 4.594 0.416 613 HA THR 78 HA THR 78 2.051 6.825 -0.317 614 HB THR 78 HB THR 78 2.243 3.886 -1.064 615 HG1 THR 78 HG1 THR 78 2.673 4.207 1.103 616 HG21 THR 78 HG21 THR 78 4.537 4.438 -1.727 617 HG22 THR 78 HG22 THR 78 4.169 6.155 -1.472 618 HG23 THR 78 HG23 THR 78 3.335 5.249 -2.735 619 H PHE 79 HN PHE 79 -0.239 4.597 -1.771 620 HA PHE 79 HA PHE 79 0.023 5.093 -4.442 621 HB2 PHE 79 HB2 PHE 79 -2.548 4.649 -2.911 622 HB3 PHE 79 HB1 PHE 79 -2.449 4.616 -4.662 623 HD1 PHE 79 HD2 PHE 79 0.464 3.118 -4.158 624 HD2 PHE 79 HD1 PHE 79 -3.621 2.451 -3.147 625 HE1 PHE 79 HE2 PHE 79 0.896 0.721 -3.972 626 HE2 PHE 79 HE1 PHE 79 -3.188 0.045 -2.974 627 HZ PHE 79 HZ PHE 79 -0.926 -0.827 -3.391 628 H GLU 80 HN GLU 80 -2.108 6.777 -2.158 629 HA GLU 80 HA GLU 80 -3.254 8.628 -3.891 630 HB2 GLU 80 HB3 GLU 80 -3.804 9.939 -1.867 631 HB3 GLU 80 HB2 GLU 80 -4.195 8.230 -1.713 632 HG2 GLU 80 HG3 GLU 80 -2.233 7.842 -0.428 633 HG3 GLU 80 HG2 GLU 80 -1.703 9.503 -0.667 634 H ARG 81 HN ARG 81 -0.088 8.761 -2.375 635 HA ARG 81 HA ARG 81 0.101 11.569 -3.124 636 HB2 ARG 81 HB2 ARG 81 1.949 9.952 -1.386 637 HB3 ARG 81 HB1 ARG 81 2.177 11.649 -1.790 638 HG2 ARG 81 HG2 ARG 81 -0.031 12.135 -0.747 639 HG3 ARG 81 HG1 ARG 81 -0.097 10.445 -0.251 640 HD2 ARG 81 HD2 ARG 81 0.686 11.718 1.584 641 HD3 ARG 81 HD1 ARG 81 2.016 10.752 0.936 642 HE ARG 81 HE ARG 81 1.982 13.341 -0.188 643 HH11 ARG 81 HH11 ARG 81 2.999 11.543 2.683 644 HH12 ARG 81 HH12 ARG 81 4.019 12.783 3.276 645 HH21 ARG 81 HH21 ARG 81 3.458 15.024 0.618 646 HH22 ARG 81 HH22 ARG 81 4.307 14.756 2.066 647 H ILE 82 HN ILE 82 1.067 8.539 -4.291 648 HA ILE 82 HA ILE 82 3.226 9.761 -5.839 649 HB ILE 82 HB ILE 82 3.745 7.511 -6.704 650 HG12 ILE 82 HG12 ILE 82 1.583 6.481 -4.857 651 HG13 ILE 82 HG11 ILE 82 1.400 6.616 -6.607 652 HG21 ILE 82 HG21 ILE 82 4.836 8.242 -4.677 653 HG22 ILE 82 HG22 ILE 82 4.541 6.502 -4.635 654 HG23 ILE 82 HG23 ILE 82 3.511 7.592 -3.707 655 HD11 ILE 82 HD11 ILE 82 3.373 4.891 -5.131 656 HD12 ILE 82 HD12 ILE 82 3.223 5.006 -6.884 657 HD13 ILE 82 HD13 ILE 82 1.900 4.337 -5.928 658 H ASN 83 HN ASN 83 0.309 10.230 -6.117 659 HA ASN 83 HA ASN 83 -1.101 10.900 -7.717 660 HB2 ASN 83 HB3 ASN 83 0.938 11.618 -8.993 661 HB3 ASN 83 HB2 ASN 83 0.991 10.032 -9.742 662 HD21 ASN 83 HD21 ASN 83 -1.989 11.864 -9.184 663 HD22 ASN 83 HD22 ASN 83 -2.308 12.142 -10.852 664 H ARG 84 HN ARG 84 -0.853 8.168 -6.715 665 HA ARG 84 HA ARG 84 -2.354 6.768 -8.791 666 HB2 ARG 84 HB2 ARG 84 -0.199 5.764 -8.290 667 HB3 ARG 84 HB1 ARG 84 -0.567 5.733 -6.584 668 HG2 ARG 84 HG2 ARG 84 -0.718 3.533 -7.810 669 HG3 ARG 84 HG1 ARG 84 -2.115 3.970 -6.825 670 HD2 ARG 84 HD2 ARG 84 -2.763 3.041 -8.969 671 HD3 ARG 84 HD1 ARG 84 -3.283 4.718 -8.758 672 HE ARG 84 HE ARG 84 -0.807 4.695 -10.087 673 HH11 ARG 84 HH11 ARG 84 -4.146 3.531 -10.894 674 HH12 ARG 84 HH12 ARG 84 -3.972 3.955 -12.520 675 HH21 ARG 84 HH21 ARG 84 -0.701 5.249 -12.279 676 HH22 ARG 84 HH22 ARG 84 -2.017 4.945 -13.334 677 H LYS 85 HN LYS 85 -3.798 8.488 -7.542 678 HA LYS 85 HA LYS 85 -4.882 7.712 -5.019 679 HB2 LYS 85 HB2 LYS 85 -4.809 10.045 -5.877 680 HB3 LYS 85 HB1 LYS 85 -5.980 9.609 -7.118 681 HG2 LYS 85 HG2 LYS 85 -7.595 9.077 -5.326 682 HG3 LYS 85 HG1 LYS 85 -6.400 9.606 -4.142 683 HD2 LYS 85 HD2 LYS 85 -7.627 11.307 -6.305 684 HD3 LYS 85 HD1 LYS 85 -8.050 11.346 -4.595 685 HE2 LYS 85 HE2 LYS 85 -5.733 12.047 -4.066 686 HE3 LYS 85 HE1 LYS 85 -5.371 12.065 -5.790 687 HZ1 LYS 85 HZ1 LYS 85 -5.898 14.285 -4.985 688 HZ2 LYS 85 HZ2 LYS 85 -7.393 13.765 -4.437 689 HZ3 LYS 85 HZ3 LYS 85 -7.067 13.770 -6.085 690 H ASP 86 HN ASP 86 -5.299 7.013 -8.270 691 HA ASP 86 HA ASP 86 -7.805 6.090 -8.617 692 HB2 ASP 86 HB2 ASP 86 -6.335 6.254 -10.455 693 HB3 ASP 86 HB1 ASP 86 -5.175 5.157 -9.728 694 H LEU 87 HN LEU 87 -5.008 4.238 -7.410 695 HA LEU 87 HA LEU 87 -6.687 1.928 -6.827 696 HB2 LEU 87 HB2 LEU 87 -3.743 2.397 -6.339 697 HB3 LEU 87 HB1 LEU 87 -4.580 0.941 -5.858 698 HG LEU 87 HG LEU 87 -4.230 1.884 -8.703 699 HD11 LEU 87 HD11 LEU 87 -2.681 0.006 -8.885 700 HD12 LEU 87 HD12 LEU 87 -2.910 -0.352 -7.169 701 HD13 LEU 87 HD13 LEU 87 -2.143 1.158 -7.664 702 HD21 LEU 87 HD21 LEU 87 -5.423 -0.628 -7.555 703 HD22 LEU 87 HD22 LEU 87 -4.972 -0.401 -9.237 704 HD23 LEU 87 HD23 LEU 87 -6.219 0.616 -8.529 705 H TRP 88 HN TRP 88 -5.549 4.695 -5.252 706 HA TRP 88 HA TRP 88 -5.584 3.796 -2.585 707 HB2 TRP 88 HB2 TRP 88 -4.503 5.845 -3.207 708 HB3 TRP 88 HB1 TRP 88 -5.988 6.521 -3.800 709 HD1 TRP 88 HD1 TRP 88 -4.643 5.261 -0.387 710 HE1 TRP 88 HE1 TRP 88 -5.578 6.772 1.470 711 HE3 TRP 88 HE3 TRP 88 -7.626 8.251 -3.220 712 HZ2 TRP 88 HZ2 TRP 88 -7.361 8.947 1.700 713 HZ3 TRP 88 HZ3 TRP 88 -8.915 10.023 -2.118 714 HH2 TRP 88 HH2 TRP 88 -8.789 10.366 0.291 715 H GLU 89 HN GLU 89 -8.051 5.400 -4.551 716 HA GLU 89 HA GLU 89 -10.099 5.203 -2.622 717 HB2 GLU 89 HB3 GLU 89 -10.147 5.615 -5.593 718 HB3 GLU 89 HB2 GLU 89 -11.630 5.520 -4.647 719 HG2 GLU 89 HG3 GLU 89 -9.409 7.445 -4.045 720 HG3 GLU 89 HG2 GLU 89 -10.764 7.833 -5.099 721 H ARG 90 HN ARG 90 -8.778 2.908 -4.714 722 HA ARG 90 HA ARG 90 -11.015 1.106 -4.529 723 HB2 ARG 90 HB2 ARG 90 -8.211 0.711 -5.599 724 HB3 ARG 90 HB1 ARG 90 -9.457 -0.529 -5.612 725 HG2 ARG 90 HG2 ARG 90 -10.844 0.850 -7.069 726 HG3 ARG 90 HG1 ARG 90 -9.637 2.126 -7.026 727 HD2 ARG 90 HD2 ARG 90 -9.535 0.765 -9.088 728 HD3 ARG 90 HD1 ARG 90 -8.047 0.743 -8.146 729 HE ARG 90 HE ARG 90 -9.707 -1.446 -7.451 730 HH11 ARG 90 HH11 ARG 90 -7.568 -0.500 -10.180 731 HH12 ARG 90 HH12 ARG 90 -7.085 -2.108 -10.465 732 HH21 ARG 90 HH21 ARG 90 -9.032 -3.587 -7.945 733 HH22 ARG 90 HH22 ARG 90 -7.913 -3.853 -9.225 734 H GLY 91 HN GLY 91 -8.106 1.828 -2.803 735 HA2 GLY 91 HA3 GLY 91 -8.094 -0.630 -1.270 736 HA3 GLY 91 HA2 GLY 91 -6.987 0.730 -1.094 737 H GLN 92 HN GLN 92 -9.189 2.638 -0.920 738 HA GLN 92 HA GLN 92 -9.579 2.610 1.853 739 HB2 GLN 92 HB2 GLN 92 -10.881 4.261 -0.302 740 HB3 GLN 92 HB1 GLN 92 -11.271 4.454 1.398 741 HG2 GLN 92 HG2 GLN 92 -8.520 4.762 0.216 742 HG3 GLN 92 HG1 GLN 92 -9.611 6.095 0.578 743 HE21 GLN 92 HE21 GLN 92 -8.262 7.024 2.053 744 HE22 GLN 92 HE22 GLN 92 -7.911 6.349 3.604 745 H ARG 93 HN ARG 93 -11.689 2.657 2.974 746 HA ARG 93 HA ARG 93 -13.418 0.644 1.838 747 HB2 ARG 93 HB2 ARG 93 -13.202 -0.857 3.713 748 HB3 ARG 93 HB1 ARG 93 -11.643 -0.609 2.960 749 HG2 ARG 93 HG2 ARG 93 -12.547 0.730 5.514 750 HG3 ARG 93 HG1 ARG 93 -11.564 -0.727 5.453 751 HD2 ARG 93 HD2 ARG 93 -9.786 0.574 4.312 752 HD3 ARG 93 HD1 ARG 93 -10.805 2.009 4.402 753 HE ARG 93 HE ARG 93 -10.346 0.737 6.915 754 HH11 ARG 93 HH11 ARG 93 -9.030 3.179 4.657 755 HH12 ARG 93 HH12 ARG 93 -8.214 4.030 5.851 756 HH21 ARG 93 HH21 ARG 93 -9.149 1.886 8.528 757 HH22 ARG 93 HH22 ARG 93 -8.255 3.273 8.137 758 H GLU 94 HN GLU 94 -15.429 0.711 2.500 759 HA GLU 94 HA GLU 94 -16.205 2.410 4.753 760 HB2 GLU 94 HB3 GLU 94 -17.523 2.222 2.019 761 HB3 GLU 94 HB2 GLU 94 -18.200 3.064 3.403 762 HG2 GLU 94 HG3 GLU 94 -16.339 4.614 3.397 763 HG3 GLU 94 HG2 GLU 94 -15.607 3.754 2.046 764 H ASP 95 HN ASP 95 -18.611 1.739 5.273 765 HA ASP 95 HA ASP 95 -18.734 -1.140 5.382 766 HB2 ASP 95 HB2 ASP 95 -20.796 0.955 6.153 767 HB3 ASP 95 HB1 ASP 95 -21.027 -0.772 6.370 768 H LEU 96 HN LEU 96 -19.706 -2.428 3.964 769 HA LEU 96 HA LEU 96 -20.648 -3.171 2.115 770 HB2 LEU 96 HB2 LEU 96 -22.648 -1.966 2.871 771 HB3 LEU 96 HB1 LEU 96 -22.106 -0.521 2.045 772 HG LEU 96 HG LEU 96 -22.303 -1.760 -0.130 773 HD11 LEU 96 HD11 LEU 96 -22.097 -4.028 0.728 774 HD12 LEU 96 HD12 LEU 96 -23.580 -3.830 -0.193 775 HD13 LEU 96 HD13 LEU 96 -23.638 -3.862 1.570 776 HD21 LEU 96 HD21 LEU 96 -24.752 -1.656 -0.222 777 HD22 LEU 96 HD22 LEU 96 -24.076 -0.262 0.618 778 HD23 LEU 96 HD23 LEU 96 -24.814 -1.574 1.536 779 H VAL 97 HN VAL 97 -20.583 -2.855 -0.290 780 HA VAL 97 HA VAL 97 -18.094 -1.786 -0.946 781 HB VAL 97 HB VAL 97 -18.778 -2.246 -3.332 782 HG11 VAL 97 HG11 VAL 97 -18.569 -4.692 -3.014 783 HG12 VAL 97 HG12 VAL 97 -18.909 -4.467 -1.288 784 HG13 VAL 97 HG13 VAL 97 -17.457 -3.766 -2.002 785 HG21 VAL 97 HG21 VAL 97 -21.195 -2.093 -3.060 786 HG22 VAL 97 HG22 VAL 97 -21.179 -3.484 -1.971 787 HG23 VAL 97 HG23 VAL 97 -20.745 -3.687 -3.672 788 H ARG 98 HN ARG 98 -17.460 -0.025 -1.748 789 HA ARG 98 HA ARG 98 -19.292 2.202 -1.650 790 HB2 ARG 98 HB2 ARG 98 -17.328 3.584 -1.699 791 HB3 ARG 98 HB1 ARG 98 -17.085 2.283 -0.552 792 HG2 ARG 98 HG2 ARG 98 -15.821 1.100 -2.443 793 HG3 ARG 98 HG1 ARG 98 -15.827 2.673 -3.244 794 HD2 ARG 98 HD2 ARG 98 -14.620 1.886 -0.634 795 HD3 ARG 98 HD1 ARG 98 -13.790 2.542 -2.048 796 HE ARG 98 HE ARG 98 -15.726 4.115 -0.452 797 HH11 ARG 98 HH11 ARG 98 -12.563 4.049 -2.100 798 HH12 ARG 98 HH12 ARG 98 -12.211 5.665 -1.696 799 HH21 ARG 98 HH21 ARG 98 -15.235 6.186 0.065 800 HH22 ARG 98 HH22 ARG 98 -13.782 6.944 -0.449 801 H ASP 99 HN ASP 99 -18.035 0.129 -3.920 802 HA ASP 99 HA ASP 99 -18.673 1.946 -6.107 803 HB2 ASP 99 HB2 ASP 99 -17.710 0.265 -7.604 804 HB3 ASP 99 HB1 ASP 99 -16.562 0.595 -6.320 805 H THR 100 HN THR 100 -20.555 1.671 -7.197 806 HA THR 100 HA THR 100 -22.088 -0.732 -6.704 807 HB THR 100 HB THR 100 -23.197 2.070 -6.262 808 HG1 THR 100 HG1 THR 100 -21.873 0.308 -4.634 809 HG21 THR 100 HG21 THR 100 -24.852 0.367 -7.003 810 HG22 THR 100 HG22 THR 100 -25.146 0.902 -5.351 811 HG23 THR 100 HG23 THR 100 -24.377 -0.656 -5.647 812 H VAL 101 HN VAL 101 -23.646 -1.060 -8.318 813 HA VAL 101 HA VAL 101 -24.547 -1.097 -10.337 814 HB VAL 101 HB VAL 101 -23.456 1.715 -10.775 815 HG11 VAL 101 HG11 VAL 101 -23.871 0.587 -12.890 816 HG12 VAL 101 HG12 VAL 101 -25.053 1.869 -12.630 817 HG13 VAL 101 HG13 VAL 101 -25.510 0.184 -12.374 818 HG21 VAL 101 HG21 VAL 101 -25.762 2.464 -10.358 819 HG22 VAL 101 HG22 VAL 101 -25.063 1.648 -8.960 820 HG23 VAL 101 HG23 VAL 101 -26.223 0.800 -9.987 821 H GLU 102 HN GLU 102 -23.617 -2.609 -11.376 822 HA GLU 102 HA GLU 102 -21.062 -2.079 -12.693 823 HB2 GLU 102 HB3 GLU 102 -20.835 -3.806 -10.931 824 HB3 GLU 102 HB2 GLU 102 -22.137 -4.727 -11.674 825 HG2 GLU 102 HG3 GLU 102 -20.772 -4.984 -13.704 826 HG3 GLU 102 HG2 GLU 102 -19.457 -4.118 -12.913 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 -20.411 -8.302 13.536 2 H2 GLY 1 HT2 GLY 1 -20.132 -9.757 12.729 3 H3 GLY 1 HT3 GLY 1 -18.872 -8.640 12.960 4 HA2 GLY 1 HA2 GLY 1 -20.255 -10.098 15.097 5 HA3 GLY 1 HA3 GLY 1 -18.636 -10.443 14.490 6 H HIS 2 HN HIS 2 -19.506 -9.669 17.133 7 HA HIS 2 HA HIS 2 -18.737 -6.905 17.485 8 HB2 HIS 2 HB2 HIS 2 -19.612 -9.023 19.453 9 HB3 HIS 2 HB1 HIS 2 -19.144 -7.398 19.930 10 HD1 HIS 2 HD1 HIS 2 -20.986 -5.691 19.934 11 HD2 HIS 2 HD2 HIS 2 -21.941 -9.039 17.667 12 HE1 HIS 2 HE1 HIS 2 -23.362 -5.384 19.211 13 H MET 3 HN MET 3 -17.280 -9.980 17.622 14 HA MET 3 HA MET 3 -15.125 -9.298 19.360 15 HB2 MET 3 HB2 MET 3 -15.396 -11.510 17.302 16 HB3 MET 3 HB1 MET 3 -14.059 -11.367 18.432 17 HG2 MET 3 HG2 MET 3 -15.509 -11.721 20.299 18 HG3 MET 3 HG1 MET 3 -16.937 -11.646 19.275 19 HE1 MET 3 HE1 MET 3 -16.361 -13.991 21.374 20 HE2 MET 3 HE2 MET 3 -16.865 -15.390 20.425 21 HE3 MET 3 HE3 MET 3 -17.802 -13.899 20.361 22 H LEU 4 HN LEU 4 -15.094 -10.004 15.894 23 HA LEU 4 HA LEU 4 -13.764 -9.407 14.216 24 HB2 LEU 4 HB2 LEU 4 -15.293 -7.518 14.266 25 HB3 LEU 4 HB1 LEU 4 -14.260 -6.676 15.399 26 HG LEU 4 HG LEU 4 -12.495 -6.561 13.645 27 HD11 LEU 4 HD11 LEU 4 -13.094 -7.012 11.319 28 HD12 LEU 4 HD12 LEU 4 -14.633 -7.691 11.853 29 HD13 LEU 4 HD13 LEU 4 -13.119 -8.472 12.305 30 HD21 LEU 4 HD21 LEU 4 -15.163 -5.369 12.902 31 HD22 LEU 4 HD22 LEU 4 -13.596 -4.829 12.300 32 HD23 LEU 4 HD23 LEU 4 -13.982 -4.676 14.011 33 H ARG 5 HN ARG 5 -11.953 -10.505 14.937 34 HA ARG 5 HA ARG 5 -9.661 -8.749 15.081 35 HB2 ARG 5 HB2 ARG 5 -10.271 -9.143 17.480 36 HB3 ARG 5 HB1 ARG 5 -10.037 -10.861 17.216 37 HG2 ARG 5 HG2 ARG 5 -8.074 -10.023 18.284 38 HG3 ARG 5 HG1 ARG 5 -7.654 -10.365 16.609 39 HD2 ARG 5 HD2 ARG 5 -8.376 -7.629 17.663 40 HD3 ARG 5 HD1 ARG 5 -6.726 -8.211 17.493 41 HE ARG 5 HE ARG 5 -7.342 -8.456 15.050 42 HH11 ARG 5 HH11 ARG 5 -8.776 -5.940 17.116 43 HH12 ARG 5 HH12 ARG 5 -8.946 -4.795 15.868 44 HH21 ARG 5 HH21 ARG 5 -7.630 -6.848 13.301 45 HH22 ARG 5 HH22 ARG 5 -8.281 -5.320 13.655 46 H THR 6 HN THR 6 -10.652 -12.127 15.490 47 HA THR 6 HA THR 6 -8.609 -12.855 13.562 48 HB THR 6 HB THR 6 -10.160 -14.663 15.438 49 HG1 THR 6 HG1 THR 6 -7.574 -14.343 16.129 50 HG21 THR 6 HG21 THR 6 -9.119 -15.758 13.486 51 HG22 THR 6 HG22 THR 6 -8.325 -16.228 14.989 52 HG23 THR 6 HG23 THR 6 -7.564 -15.046 13.923 53 H ALA 7 HN ALA 7 -9.924 -12.107 11.817 54 HA ALA 7 HA ALA 7 -12.166 -13.896 11.169 55 HB1 ALA 7 HB1 ALA 7 -13.092 -12.027 9.868 56 HB2 ALA 7 HB2 ALA 7 -11.743 -11.008 10.370 57 HB3 ALA 7 HB3 ALA 7 -12.902 -11.584 11.566 58 H GLY 8 HN GLY 8 -9.103 -13.584 10.682 59 HA2 GLY 8 HA3 GLY 8 -8.366 -14.973 8.720 60 HA3 GLY 8 HA2 GLY 8 -9.141 -13.709 7.765 61 H ARG 9 HN ARG 9 -6.907 -13.638 6.940 62 HA ARG 9 HA ARG 9 -5.258 -11.826 8.584 63 HB2 ARG 9 HB2 ARG 9 -3.275 -12.749 7.475 64 HB3 ARG 9 HB1 ARG 9 -4.164 -14.046 8.266 65 HG2 ARG 9 HG2 ARG 9 -5.035 -14.837 6.238 66 HG3 ARG 9 HG1 ARG 9 -4.567 -13.374 5.380 67 HD2 ARG 9 HD2 ARG 9 -2.198 -14.007 5.715 68 HD3 ARG 9 HD1 ARG 9 -2.740 -15.527 6.440 69 HE ARG 9 HE ARG 9 -4.071 -15.693 4.274 70 HH11 ARG 9 HH11 ARG 9 -0.675 -14.610 4.488 71 HH12 ARG 9 HH12 ARG 9 -0.376 -14.946 2.841 72 HH21 ARG 9 HH21 ARG 9 -3.628 -16.047 2.083 73 HH22 ARG 9 HH22 ARG 9 -2.070 -15.764 1.441 74 H ASP 10 HN ASP 10 -3.995 -10.307 7.224 75 HA ASP 10 HA ASP 10 -4.259 -10.262 4.441 76 HB2 ASP 10 HB2 ASP 10 -6.534 -9.241 5.201 77 HB3 ASP 10 HB1 ASP 10 -5.586 -7.860 5.748 78 H GLY 11 HN GLY 11 -3.575 -7.654 3.976 79 HA2 GLY 11 HA3 GLY 11 -1.943 -6.031 4.427 80 HA3 GLY 11 HA2 GLY 11 -1.424 -6.978 5.818 81 H LEU 12 HN LEU 12 -1.900 -8.916 3.308 82 HA LEU 12 HA LEU 12 0.769 -8.657 2.169 83 HB2 LEU 12 HB2 LEU 12 0.810 -10.266 4.170 84 HB3 LEU 12 HB1 LEU 12 -0.268 -11.290 3.268 85 HG LEU 12 HG LEU 12 2.105 -12.056 3.275 86 HD11 LEU 12 HD11 LEU 12 0.646 -12.816 1.506 87 HD12 LEU 12 HD12 LEU 12 2.290 -12.584 0.905 88 HD13 LEU 12 HD13 LEU 12 1.040 -11.393 0.541 89 HD21 LEU 12 HD21 LEU 12 2.597 -9.615 1.580 90 HD22 LEU 12 HD22 LEU 12 3.751 -10.909 1.910 91 HD23 LEU 12 HD23 LEU 12 3.179 -9.876 3.223 92 H CYS 13 HN CYS 13 -2.131 -10.710 2.305 93 HA CYS 13 HA CYS 13 -2.058 -11.473 -0.337 94 HB2 CYS 13 HB2 CYS 13 -4.560 -11.983 0.135 95 HB3 CYS 13 HB1 CYS 13 -3.298 -12.849 1.010 96 HG CYS 13 HG CYS 13 -4.675 -10.058 2.448 97 H ARG 14 HN ARG 14 -4.271 -8.918 1.063 98 HA ARG 14 HA ARG 14 -5.082 -8.218 -1.579 99 HB2 ARG 14 HB2 ARG 14 -6.548 -7.966 0.408 100 HB3 ARG 14 HB1 ARG 14 -5.452 -6.756 1.039 101 HG2 ARG 14 HG2 ARG 14 -5.965 -5.274 -0.783 102 HG3 ARG 14 HG1 ARG 14 -6.981 -6.505 -1.532 103 HD2 ARG 14 HD2 ARG 14 -7.449 -5.322 1.192 104 HD3 ARG 14 HD1 ARG 14 -8.247 -4.781 -0.279 105 HE ARG 14 HE ARG 14 -8.611 -7.556 0.031 106 HH11 ARG 14 HH11 ARG 14 -9.634 -4.520 1.436 107 HH12 ARG 14 HH12 ARG 14 -11.161 -5.052 1.948 108 HH21 ARG 14 HH21 ARG 14 -10.733 -8.362 0.726 109 HH22 ARG 14 HH22 ARG 14 -11.813 -7.321 1.536 110 H LEU 15 HN LEU 15 -2.549 -7.318 0.512 111 HA LEU 15 HA LEU 15 -1.797 -4.829 -0.530 112 HB2 LEU 15 HB2 LEU 15 -0.901 -5.793 1.555 113 HB3 LEU 15 HB1 LEU 15 -0.117 -7.056 0.630 114 HG LEU 15 HG LEU 15 1.373 -5.409 -0.393 115 HD11 LEU 15 HD11 LEU 15 1.408 -3.132 0.443 116 HD12 LEU 15 HD12 LEU 15 -0.042 -3.460 1.389 117 HD13 LEU 15 HD13 LEU 15 -0.111 -3.494 -0.375 118 HD21 LEU 15 HD21 LEU 15 1.255 -5.224 2.604 119 HD22 LEU 15 HD22 LEU 15 2.647 -4.825 1.598 120 HD23 LEU 15 HD23 LEU 15 2.057 -6.486 1.670 121 H SER 16 HN SER 16 -0.650 -8.127 -1.267 122 HA SER 16 HA SER 16 0.545 -7.240 -3.723 123 HB2 SER 16 HB2 SER 16 1.563 -9.000 -2.179 124 HB3 SER 16 HB1 SER 16 0.252 -10.070 -2.652 125 HG SER 16 HG SER 16 1.542 -8.960 -4.810 126 H THR 17 HN THR 17 -1.874 -6.562 -3.827 127 HA THR 17 HA THR 17 -2.974 -8.080 -6.042 128 HB THR 17 HB THR 17 -4.692 -7.012 -3.753 129 HG1 THR 17 HG1 THR 17 -3.454 -9.273 -3.949 130 HG21 THR 17 HG21 THR 17 -6.590 -8.002 -4.971 131 HG22 THR 17 HG22 THR 17 -5.508 -8.465 -6.282 132 HG23 THR 17 HG23 THR 17 -5.797 -6.759 -5.941 133 H TYR 18 HN TYR 18 -3.096 -5.158 -4.021 134 HA TYR 18 HA TYR 18 -3.759 -3.555 -6.289 135 HB2 TYR 18 HB2 TYR 18 -3.133 -2.861 -3.433 136 HB3 TYR 18 HB1 TYR 18 -3.355 -1.621 -4.669 137 HD1 TYR 18 HD1 TYR 18 -5.023 -4.223 -2.701 138 HD2 TYR 18 HD2 TYR 18 -5.495 -1.232 -5.676 139 HE1 TYR 18 HE1 TYR 18 -7.455 -4.396 -2.485 140 HE2 TYR 18 HE2 TYR 18 -7.918 -1.409 -5.477 141 HH TYR 18 HH TYR 18 -9.463 -2.922 -2.953 142 H LEU 19 HN LEU 19 -0.821 -4.377 -4.569 143 HA LEU 19 HA LEU 19 0.751 -2.495 -5.986 144 HB2 LEU 19 HB2 LEU 19 1.511 -5.026 -4.529 145 HB3 LEU 19 HB1 LEU 19 2.679 -3.918 -5.219 146 HG LEU 19 HG LEU 19 0.742 -3.235 -2.979 147 HD11 LEU 19 HD11 LEU 19 2.714 -3.195 -1.578 148 HD12 LEU 19 HD12 LEU 19 3.701 -3.762 -2.930 149 HD13 LEU 19 HD13 LEU 19 2.427 -4.790 -2.263 150 HD21 LEU 19 HD21 LEU 19 1.277 -1.296 -4.381 151 HD22 LEU 19 HD22 LEU 19 2.995 -1.625 -4.203 152 HD23 LEU 19 HD23 LEU 19 2.035 -1.164 -2.801 153 H GLU 20 HN GLU 20 -0.630 -5.489 -6.821 154 HA GLU 20 HA GLU 20 1.162 -6.241 -8.912 155 HB2 GLU 20 HB3 GLU 20 -1.786 -6.863 -8.859 156 HB3 GLU 20 HB2 GLU 20 -0.510 -7.783 -9.624 157 HG2 GLU 20 HG3 GLU 20 -1.059 -7.520 -6.688 158 HG3 GLU 20 HG2 GLU 20 -1.328 -8.935 -7.695 159 H GLU 21 HN GLU 21 -1.519 -4.063 -8.567 160 HA GLU 21 HA GLU 21 -2.118 -3.678 -11.331 161 HB2 GLU 21 HB3 GLU 21 -2.668 -1.933 -8.928 162 HB3 GLU 21 HB2 GLU 21 -3.331 -1.667 -10.525 163 HG2 GLU 21 HG3 GLU 21 -3.825 -4.150 -8.907 164 HG3 GLU 21 HG2 GLU 21 -4.875 -2.738 -8.871 165 H LEU 22 HN LEU 22 0.358 -2.566 -9.256 166 HA LEU 22 HA LEU 22 0.798 -0.075 -10.665 167 HB2 LEU 22 HB2 LEU 22 2.504 -1.322 -8.482 168 HB3 LEU 22 HB1 LEU 22 2.744 0.204 -9.289 169 HG LEU 22 HG LEU 22 0.417 -0.498 -7.514 170 HD11 LEU 22 HD11 LEU 22 2.787 1.311 -7.112 171 HD12 LEU 22 HD12 LEU 22 2.458 -0.207 -6.265 172 HD13 LEU 22 HD13 LEU 22 1.404 1.188 -6.031 173 HD21 LEU 22 HD21 LEU 22 1.097 2.086 -8.927 174 HD22 LEU 22 HD22 LEU 22 -0.154 1.877 -7.703 175 HD23 LEU 22 HD23 LEU 22 -0.294 1.044 -9.248 176 H GLU 23 HN GLU 23 2.999 0.479 -11.121 177 HA GLU 23 HA GLU 23 4.024 -1.364 -13.147 178 HB2 GLU 23 HB3 GLU 23 2.894 1.109 -13.338 179 HB3 GLU 23 HB2 GLU 23 4.589 1.509 -13.103 180 HG2 GLU 23 HG3 GLU 23 3.484 -0.295 -15.104 181 HG3 GLU 23 HG2 GLU 23 3.875 1.410 -15.425 182 H ALA 24 HN ALA 24 6.418 -1.093 -13.382 183 HA ALA 24 HA ALA 24 7.895 -1.186 -11.033 184 HB1 ALA 24 HB1 ALA 24 8.664 -2.135 -13.149 185 HB2 ALA 24 HB2 ALA 24 9.859 -1.007 -12.500 186 HB3 ALA 24 HB3 ALA 24 8.803 -0.515 -13.826 187 H VAL 25 HN VAL 25 7.239 1.507 -13.263 188 HA VAL 25 HA VAL 25 8.877 3.377 -11.907 189 HB VAL 25 HB VAL 25 8.114 3.846 -14.210 190 HG11 VAL 25 HG11 VAL 25 5.834 4.569 -14.679 191 HG12 VAL 25 HG12 VAL 25 5.377 4.195 -13.019 192 HG13 VAL 25 HG13 VAL 25 5.885 2.898 -14.112 193 HG21 VAL 25 HG21 VAL 25 7.108 5.883 -12.242 194 HG22 VAL 25 HG22 VAL 25 7.459 6.196 -13.940 195 HG23 VAL 25 HG23 VAL 25 8.764 5.753 -12.833 196 H GLU 26 HN GLU 26 5.561 2.438 -11.463 197 HA GLU 26 HA GLU 26 4.863 4.453 -9.577 198 HB2 GLU 26 HB3 GLU 26 3.750 1.695 -9.990 199 HB3 GLU 26 HB2 GLU 26 2.962 2.973 -9.071 200 HG2 GLU 26 HG3 GLU 26 3.628 3.170 -11.992 201 HG3 GLU 26 HG2 GLU 26 2.075 2.579 -11.395 202 H LEU 27 HN LEU 27 6.063 1.143 -9.378 203 HA LEU 27 HA LEU 27 6.145 0.942 -6.570 204 HB2 LEU 27 HB2 LEU 27 7.771 -0.492 -8.675 205 HB3 LEU 27 HB1 LEU 27 7.733 -0.937 -6.986 206 HG LEU 27 HG LEU 27 5.345 -1.006 -8.830 207 HD11 LEU 27 HD11 LEU 27 6.996 -2.656 -9.491 208 HD12 LEU 27 HD12 LEU 27 5.602 -3.435 -8.752 209 HD13 LEU 27 HD13 LEU 27 7.097 -3.249 -7.833 210 HD21 LEU 27 HD21 LEU 27 5.731 -2.043 -6.018 211 HD22 LEU 27 HD22 LEU 27 4.310 -2.313 -7.023 212 HD23 LEU 27 HD23 LEU 27 4.720 -0.680 -6.498 213 H LYS 28 HN LYS 28 8.364 2.176 -8.959 214 HA LYS 28 HA LYS 28 10.616 2.561 -7.374 215 HB2 LYS 28 HB2 LYS 28 10.626 2.868 -9.805 216 HB3 LYS 28 HB1 LYS 28 9.579 4.271 -9.638 217 HG2 LYS 28 HG2 LYS 28 11.357 5.404 -8.358 218 HG3 LYS 28 HG1 LYS 28 12.405 4.012 -8.641 219 HD2 LYS 28 HD2 LYS 28 12.207 4.378 -11.064 220 HD3 LYS 28 HD1 LYS 28 11.184 5.781 -10.758 221 HE2 LYS 28 HE2 LYS 28 13.471 6.460 -11.211 222 HE3 LYS 28 HE1 LYS 28 13.018 6.855 -9.555 223 HZ1 LYS 28 HZ1 LYS 28 14.232 4.897 -8.794 224 HZ2 LYS 28 HZ2 LYS 28 15.247 5.892 -9.695 225 HZ3 LYS 28 HZ3 LYS 28 14.631 4.489 -10.372 226 H LYS 29 HN LYS 29 7.887 4.666 -8.054 227 HA LYS 29 HA LYS 29 8.611 6.906 -6.484 228 HB2 LYS 29 HB2 LYS 29 5.848 5.855 -7.043 229 HB3 LYS 29 HB1 LYS 29 6.249 7.482 -6.545 230 HG2 LYS 29 HG2 LYS 29 7.308 7.908 -8.693 231 HG3 LYS 29 HG1 LYS 29 7.012 6.234 -9.174 232 HD2 LYS 29 HD2 LYS 29 4.604 6.566 -8.916 233 HD3 LYS 29 HD1 LYS 29 4.898 8.228 -8.421 234 HE2 LYS 29 HE2 LYS 29 5.753 8.777 -10.581 235 HE3 LYS 29 HE1 LYS 29 5.648 7.091 -11.092 236 HZ1 LYS 29 HZ1 LYS 29 3.755 8.520 -11.829 237 HZ2 LYS 29 HZ2 LYS 29 3.264 8.608 -10.193 238 HZ3 LYS 29 HZ3 LYS 29 3.363 7.116 -10.993 239 H PHE 30 HN PHE 30 6.380 4.274 -5.886 240 HA PHE 30 HA PHE 30 5.565 4.686 -3.311 241 HB2 PHE 30 HB2 PHE 30 4.458 3.102 -4.633 242 HB3 PHE 30 HB1 PHE 30 5.944 2.302 -5.072 243 HD1 PHE 30 HD2 PHE 30 4.049 2.987 -1.899 244 HD2 PHE 30 HD1 PHE 30 6.107 0.204 -4.355 245 HE1 PHE 30 HE2 PHE 30 3.583 1.209 -0.278 246 HE2 PHE 30 HE1 PHE 30 5.636 -1.578 -2.738 247 HZ PHE 30 HZ PHE 30 4.358 -1.070 -0.697 248 H LYS 31 HN LYS 31 8.278 2.648 -4.331 249 HA LYS 31 HA LYS 31 9.101 2.080 -1.716 250 HB2 LYS 31 HB2 LYS 31 9.882 0.429 -3.031 251 HB3 LYS 31 HB1 LYS 31 10.009 1.458 -4.432 252 HG2 LYS 31 HG2 LYS 31 12.090 1.493 -2.232 253 HG3 LYS 31 HG1 LYS 31 12.110 0.306 -3.537 254 HD2 LYS 31 HD2 LYS 31 12.115 3.292 -4.002 255 HD3 LYS 31 HD1 LYS 31 13.582 2.321 -3.922 256 HE2 LYS 31 HE2 LYS 31 11.334 1.730 -5.829 257 HE3 LYS 31 HE1 LYS 31 12.661 2.813 -6.258 258 HZ1 LYS 31 HZ1 LYS 31 12.902 0.490 -7.044 259 HZ2 LYS 31 HZ2 LYS 31 13.057 -0.053 -5.456 260 HZ3 LYS 31 HZ3 LYS 31 14.171 1.014 -6.105 261 H LEU 32 HN LEU 32 10.137 4.691 -3.861 262 HA LEU 32 HA LEU 32 12.211 5.316 -2.024 263 HB2 LEU 32 HB2 LEU 32 12.650 7.322 -3.338 264 HB3 LEU 32 HB1 LEU 32 12.506 5.927 -4.366 265 HG LEU 32 HG LEU 32 10.083 6.813 -4.811 266 HD11 LEU 32 HD11 LEU 32 9.849 9.221 -4.707 267 HD12 LEU 32 HD12 LEU 32 11.397 9.345 -3.872 268 HD13 LEU 32 HD13 LEU 32 10.042 8.521 -3.096 269 HD21 LEU 32 HD21 LEU 32 12.529 8.199 -5.866 270 HD22 LEU 32 HD22 LEU 32 10.943 8.186 -6.645 271 HD23 LEU 32 HD23 LEU 32 11.858 6.687 -6.462 272 H TYR 33 HN TYR 33 8.936 6.348 -2.500 273 HA TYR 33 HA TYR 33 8.954 8.608 -0.911 274 HB2 TYR 33 HB2 TYR 33 7.080 8.015 -2.408 275 HB3 TYR 33 HB1 TYR 33 6.646 6.694 -1.328 276 HD1 TYR 33 HD1 TYR 33 5.597 7.139 0.832 277 HD2 TYR 33 HD2 TYR 33 6.667 10.299 -1.788 278 HE1 TYR 33 HE1 TYR 33 4.279 8.663 2.193 279 HE2 TYR 33 HE2 TYR 33 5.341 11.870 -0.439 280 HH TYR 33 HH TYR 33 4.388 11.190 2.636 281 H LEU 34 HN LEU 34 8.525 5.240 -0.018 282 HA LEU 34 HA LEU 34 8.276 6.170 2.725 283 HB2 LEU 34 HB2 LEU 34 7.314 3.901 3.248 284 HB3 LEU 34 HB1 LEU 34 6.391 4.962 2.211 285 HG LEU 34 HG LEU 34 7.206 3.643 0.251 286 HD11 LEU 34 HD11 LEU 34 9.121 2.538 1.211 287 HD12 LEU 34 HD12 LEU 34 7.943 1.350 0.641 288 HD13 LEU 34 HD13 LEU 34 8.086 1.696 2.364 289 HD21 LEU 34 HD21 LEU 34 4.987 3.471 1.193 290 HD22 LEU 34 HD22 LEU 34 5.543 2.214 2.306 291 HD23 LEU 34 HD23 LEU 34 5.551 1.926 0.566 292 H GLY 35 HN GLY 35 10.394 4.177 0.789 293 HA2 GLY 35 HA3 GLY 35 11.597 3.181 3.217 294 HA3 GLY 35 HA2 GLY 35 12.054 2.711 1.571 295 H THR 36 HN THR 36 12.100 5.826 1.099 296 HA THR 36 HA THR 36 14.702 6.179 2.436 297 HB THR 36 HB THR 36 15.416 7.757 0.712 298 HG1 THR 36 HG1 THR 36 12.733 7.582 -0.221 299 HG21 THR 36 HG21 THR 36 15.781 5.416 0.131 300 HG22 THR 36 HG22 THR 36 15.409 6.360 -1.320 301 HG23 THR 36 HG23 THR 36 14.175 5.338 -0.598 302 H ALA 37 HN ALA 37 11.886 6.657 3.217 303 HA ALA 37 HA ALA 37 11.432 9.470 3.289 304 HB1 ALA 37 HB1 ALA 37 9.489 8.931 4.588 305 HB2 ALA 37 HB2 ALA 37 10.034 7.257 4.724 306 HB3 ALA 37 HB3 ALA 37 9.603 7.922 3.146 307 H THR 38 HN THR 38 12.154 10.843 4.709 308 HA THR 38 HA THR 38 13.011 9.888 7.278 309 HB THR 38 HB THR 38 13.576 12.376 7.540 310 HG1 THR 38 HG1 THR 38 13.940 13.242 5.311 311 HG21 THR 38 HG21 THR 38 15.281 10.661 7.111 312 HG22 THR 38 HG22 THR 38 15.655 12.142 6.232 313 HG23 THR 38 HG23 THR 38 14.955 10.766 5.382 314 H GLU 39 HN GLU 39 10.344 11.241 5.704 315 HA GLU 39 HA GLU 39 9.084 12.550 7.881 316 HB2 GLU 39 HB3 GLU 39 7.007 12.485 6.553 317 HB3 GLU 39 HB2 GLU 39 8.366 13.005 5.576 318 HG2 GLU 39 HG3 GLU 39 8.507 10.728 4.629 319 HG3 GLU 39 HG2 GLU 39 7.087 10.276 5.567 320 H LEU 40 HN LEU 40 9.248 9.251 6.910 321 HA LEU 40 HA LEU 40 7.204 8.287 8.670 322 HB2 LEU 40 HB2 LEU 40 9.269 7.069 6.951 323 HB3 LEU 40 HB1 LEU 40 8.786 6.125 8.332 324 HG LEU 40 HG LEU 40 6.463 6.122 7.506 325 HD11 LEU 40 HD11 LEU 40 6.457 8.208 6.248 326 HD12 LEU 40 HD12 LEU 40 5.970 6.814 5.266 327 HD13 LEU 40 HD13 LEU 40 7.589 7.491 5.085 328 HD21 LEU 40 HD21 LEU 40 7.931 4.309 6.970 329 HD22 LEU 40 HD22 LEU 40 8.545 5.179 5.568 330 HD23 LEU 40 HD23 LEU 40 6.868 4.638 5.599 331 H GLY 41 HN GLY 41 10.472 9.254 9.035 332 HA2 GLY 41 HA3 GLY 41 11.810 9.338 10.898 333 HA3 GLY 41 HA2 GLY 41 10.526 8.559 11.820 334 H GLU 42 HN GLU 42 10.117 6.263 10.884 335 HA GLU 42 HA GLU 42 12.635 4.811 11.103 336 HB2 GLU 42 HB3 GLU 42 11.249 2.893 11.633 337 HB3 GLU 42 HB2 GLU 42 10.895 4.265 12.675 338 HG2 GLU 42 HG3 GLU 42 8.965 4.789 11.357 339 HG3 GLU 42 HG2 GLU 42 9.331 3.432 10.282 340 H GLY 43 HN GLY 43 11.457 6.098 8.620 341 HA2 GLY 43 HA3 GLY 43 10.843 3.883 6.851 342 HA3 GLY 43 HA2 GLY 43 11.007 5.575 6.384 343 H LYS 44 HN LYS 44 12.902 2.997 7.697 344 HA LYS 44 HA LYS 44 15.342 4.014 6.509 345 HB2 LYS 44 HB2 LYS 44 14.756 1.705 8.250 346 HB3 LYS 44 HB1 LYS 44 16.376 2.130 7.724 347 HG2 LYS 44 HG2 LYS 44 14.572 3.888 9.421 348 HG3 LYS 44 HG1 LYS 44 15.873 2.884 10.058 349 HD2 LYS 44 HD2 LYS 44 16.223 5.154 8.087 350 HD3 LYS 44 HD1 LYS 44 16.536 5.255 9.820 351 HE2 LYS 44 HE2 LYS 44 18.251 3.489 9.587 352 HE3 LYS 44 HE1 LYS 44 17.937 3.437 7.857 353 HZ1 LYS 44 HZ1 LYS 44 18.709 5.731 7.680 354 HZ2 LYS 44 HZ2 LYS 44 19.888 4.777 8.401 355 HZ3 LYS 44 HZ3 LYS 44 18.948 5.791 9.342 356 H ILE 45 HN ILE 45 13.897 0.773 6.705 357 HA ILE 45 HA ILE 45 13.929 -1.004 5.376 358 HB ILE 45 HB ILE 45 14.198 1.159 3.378 359 HG12 ILE 45 HG12 ILE 45 12.170 1.269 4.683 360 HG13 ILE 45 HG11 ILE 45 11.790 0.911 3.007 361 HG21 ILE 45 HG21 ILE 45 14.946 -0.927 2.317 362 HG22 ILE 45 HG22 ILE 45 13.367 -0.477 1.668 363 HG23 ILE 45 HG23 ILE 45 13.492 -1.751 2.874 364 HD11 ILE 45 HD11 ILE 45 11.529 -1.438 3.611 365 HD12 ILE 45 HD12 ILE 45 10.413 -0.372 4.495 366 HD13 ILE 45 HD13 ILE 45 11.856 -1.010 5.300 367 HA PRO 46 HA PRO 46 18.294 -2.068 5.029 368 HB2 PRO 46 HB2 PRO 46 17.903 -4.293 3.385 369 HB3 PRO 46 HB1 PRO 46 17.910 -4.330 5.150 370 HG2 PRO 46 HG2 PRO 46 15.643 -4.190 3.241 371 HG3 PRO 46 HG1 PRO 46 15.750 -5.099 4.769 372 HD2 PRO 46 HD2 PRO 46 14.345 -2.852 4.607 373 HD3 PRO 46 HD1 PRO 46 15.330 -3.182 6.046 374 H TRP 47 HN TRP 47 19.746 -1.397 3.717 375 HA TRP 47 HA TRP 47 19.547 0.484 1.928 376 HB2 TRP 47 HB2 TRP 47 21.857 0.113 1.277 377 HB3 TRP 47 HB1 TRP 47 21.627 -0.178 2.995 378 HD1 TRP 47 HD1 TRP 47 23.001 -1.744 -0.088 379 HE1 TRP 47 HE1 TRP 47 23.739 -4.168 0.372 380 HE3 TRP 47 HE3 TRP 47 20.874 -2.422 4.532 381 HZ2 TRP 47 HZ2 TRP 47 23.440 -6.098 2.378 382 HZ3 TRP 47 HZ3 TRP 47 21.149 -4.583 5.628 383 HH2 TRP 47 HH2 TRP 47 22.405 -6.387 4.580 384 H GLY 48 HN GLY 48 19.418 -2.903 0.819 385 HA2 GLY 48 HA3 GLY 48 18.614 -1.858 -1.778 386 HA3 GLY 48 HA2 GLY 48 20.040 -2.884 -1.738 387 H SER 49 HN SER 49 17.013 -3.145 0.094 388 HA SER 49 HA SER 49 16.765 -5.908 -0.762 389 HB2 SER 49 HB2 SER 49 14.835 -5.767 0.871 390 HB3 SER 49 HB1 SER 49 16.431 -5.417 1.550 391 HG SER 49 HG SER 49 15.944 -3.278 1.643 392 H MET 50 HN MET 50 15.670 -2.857 -1.588 393 HA MET 50 HA MET 50 13.268 -3.792 -2.999 394 HB2 MET 50 HB2 MET 50 12.765 -1.183 -2.560 395 HB3 MET 50 HB1 MET 50 12.210 -2.491 -1.533 396 HG2 MET 50 HG2 MET 50 13.187 -0.520 -0.358 397 HG3 MET 50 HG1 MET 50 13.878 -2.060 0.088 398 HE1 MET 50 HE1 MET 50 16.032 1.247 -2.337 399 HE2 MET 50 HE2 MET 50 14.469 1.446 -1.542 400 HE3 MET 50 HE3 MET 50 14.610 0.426 -2.975 401 H GLU 51 HN GLU 51 15.935 -3.539 -4.069 402 HA GLU 51 HA GLU 51 16.405 -1.139 -5.502 403 HB2 GLU 51 HB3 GLU 51 17.166 -3.935 -6.311 404 HB3 GLU 51 HB2 GLU 51 17.916 -2.453 -6.856 405 HG2 GLU 51 HG3 GLU 51 18.851 -2.076 -4.684 406 HG3 GLU 51 HG2 GLU 51 17.952 -3.442 -4.020 407 H LYS 52 HN LYS 52 15.387 -4.295 -6.742 408 HA LYS 52 HA LYS 52 13.813 -2.965 -8.846 409 HB2 LYS 52 HB2 LYS 52 15.363 -5.550 -9.016 410 HB3 LYS 52 HB1 LYS 52 14.386 -4.868 -10.302 411 HG2 LYS 52 HG2 LYS 52 15.903 -2.921 -10.385 412 HG3 LYS 52 HG1 LYS 52 16.904 -3.684 -9.149 413 HD2 LYS 52 HD2 LYS 52 16.294 -4.858 -11.870 414 HD3 LYS 52 HD1 LYS 52 17.790 -4.039 -11.428 415 HE2 LYS 52 HE2 LYS 52 16.730 -6.577 -10.166 416 HE3 LYS 52 HE1 LYS 52 18.005 -6.489 -11.372 417 HZ1 LYS 52 HZ1 LYS 52 18.139 -5.303 -8.639 418 HZ2 LYS 52 HZ2 LYS 52 19.351 -5.213 -9.794 419 HZ3 LYS 52 HZ3 LYS 52 18.912 -6.694 -9.152 420 H ALA 53 HN ALA 53 13.281 -4.078 -6.142 421 HA ALA 53 HA ALA 53 11.991 -6.525 -6.150 422 HB1 ALA 53 HB1 ALA 53 12.558 -5.393 -4.091 423 HB2 ALA 53 HB2 ALA 53 10.821 -5.699 -4.108 424 HB3 ALA 53 HB3 ALA 53 11.435 -4.090 -4.444 425 H GLY 54 HN GLY 54 10.120 -7.224 -6.794 426 HA2 GLY 54 HA3 GLY 54 8.383 -5.405 -8.258 427 HA3 GLY 54 HA2 GLY 54 8.354 -7.167 -8.340 428 HA PRO 55 HA PRO 55 4.912 -5.371 -5.724 429 HB2 PRO 55 HB2 PRO 55 3.030 -7.199 -6.584 430 HB3 PRO 55 HB1 PRO 55 3.297 -5.603 -7.291 431 HG2 PRO 55 HG2 PRO 55 4.293 -8.268 -8.197 432 HG3 PRO 55 HG1 PRO 55 3.691 -6.910 -9.164 433 HD2 PRO 55 HD2 PRO 55 6.306 -7.444 -8.927 434 HD3 PRO 55 HD1 PRO 55 5.714 -5.777 -9.027 435 H LEU 56 HN LEU 56 5.804 -8.737 -6.197 436 HA LEU 56 HA LEU 56 4.581 -9.588 -3.715 437 HB2 LEU 56 HB2 LEU 56 6.523 -11.032 -5.527 438 HB3 LEU 56 HB1 LEU 56 5.889 -11.735 -4.058 439 HG LEU 56 HG LEU 56 3.578 -11.463 -5.076 440 HD11 LEU 56 HD11 LEU 56 5.162 -10.993 -7.584 441 HD12 LEU 56 HD12 LEU 56 4.065 -9.861 -6.793 442 HD13 LEU 56 HD13 LEU 56 3.434 -11.342 -7.512 443 HD21 LEU 56 HD21 LEU 56 5.525 -13.301 -6.450 444 HD22 LEU 56 HD22 LEU 56 3.773 -13.487 -6.433 445 HD23 LEU 56 HD23 LEU 56 4.688 -13.619 -4.931 446 H GLU 57 HN GLU 57 7.843 -8.837 -4.717 447 HA GLU 57 HA GLU 57 9.109 -9.412 -2.245 448 HB2 GLU 57 HB3 GLU 57 9.863 -7.521 -4.469 449 HB3 GLU 57 HB2 GLU 57 10.926 -7.934 -3.131 450 HG2 GLU 57 HG3 GLU 57 11.043 -10.193 -3.841 451 HG3 GLU 57 HG2 GLU 57 9.794 -9.939 -5.060 452 H MET 58 HN MET 58 7.703 -6.539 -3.657 453 HA MET 58 HA MET 58 8.289 -4.709 -1.607 454 HB2 MET 58 HB2 MET 58 6.104 -4.781 -3.665 455 HB3 MET 58 HB1 MET 58 6.316 -3.429 -2.563 456 HG2 MET 58 HG2 MET 58 8.503 -4.447 -4.303 457 HG3 MET 58 HG1 MET 58 7.394 -3.251 -4.949 458 HE1 MET 58 HE1 MET 58 10.262 -2.655 -5.250 459 HE2 MET 58 HE2 MET 58 10.537 -1.097 -4.473 460 HE3 MET 58 HE3 MET 58 9.088 -1.356 -5.441 461 H ALA 59 HN ALA 59 5.419 -6.751 -2.167 462 HA ALA 59 HA ALA 59 3.896 -5.822 -0.051 463 HB1 ALA 59 HB1 ALA 59 2.684 -7.937 -0.179 464 HB2 ALA 59 HB2 ALA 59 4.000 -8.647 -1.109 465 HB3 ALA 59 HB3 ALA 59 3.045 -7.332 -1.795 466 H GLN 60 HN GLN 60 6.391 -8.299 -0.076 467 HA GLN 60 HA GLN 60 5.942 -8.911 2.674 468 HB2 GLN 60 HB2 GLN 60 8.308 -9.640 0.972 469 HB3 GLN 60 HB1 GLN 60 7.922 -10.308 2.551 470 HG2 GLN 60 HG2 GLN 60 5.725 -11.071 1.496 471 HG3 GLN 60 HG1 GLN 60 6.484 -10.682 -0.038 472 HE21 GLN 60 HE21 GLN 60 5.658 -13.268 1.078 473 HE22 GLN 60 HE22 GLN 60 7.077 -14.247 1.036 474 H LEU 61 HN LEU 61 7.762 -6.568 1.000 475 HA LEU 61 HA LEU 61 9.868 -6.073 2.809 476 HB2 LEU 61 HB2 LEU 61 9.437 -5.143 0.402 477 HB3 LEU 61 HB1 LEU 61 8.428 -3.978 1.247 478 HG LEU 61 HG LEU 61 10.408 -3.265 2.535 479 HD11 LEU 61 HD11 LEU 61 12.619 -3.811 1.625 480 HD12 LEU 61 HD12 LEU 61 11.863 -4.915 0.480 481 HD13 LEU 61 HD13 LEU 61 11.797 -5.260 2.210 482 HD21 LEU 61 HD21 LEU 61 9.553 -1.992 0.659 483 HD22 LEU 61 HD22 LEU 61 10.464 -3.000 -0.462 484 HD23 LEU 61 HD23 LEU 61 11.320 -1.942 0.662 485 H LEU 62 HN LEU 62 6.751 -4.417 2.315 486 HA LEU 62 HA LEU 62 7.006 -2.789 4.586 487 HB2 LEU 62 HB2 LEU 62 4.523 -3.498 3.013 488 HB3 LEU 62 HB1 LEU 62 4.569 -2.295 4.279 489 HG LEU 62 HG LEU 62 4.587 -1.080 2.272 490 HD11 LEU 62 HD11 LEU 62 6.165 -0.221 3.820 491 HD12 LEU 62 HD12 LEU 62 6.704 0.025 2.158 492 HD13 LEU 62 HD13 LEU 62 7.431 -1.248 3.142 493 HD21 LEU 62 HD21 LEU 62 6.086 -1.484 0.412 494 HD22 LEU 62 HD22 LEU 62 5.069 -2.897 0.751 495 HD23 LEU 62 HD23 LEU 62 6.752 -2.877 1.264 496 H ILE 63 HN ILE 63 5.470 -5.927 4.089 497 HA ILE 63 HA ILE 63 4.079 -5.964 6.541 498 HB ILE 63 HB ILE 63 3.975 -7.501 4.310 499 HG12 ILE 63 HG12 ILE 63 2.255 -7.363 6.067 500 HG13 ILE 63 HG11 ILE 63 2.412 -8.980 5.402 501 HG21 ILE 63 HG21 ILE 63 4.715 -9.795 4.714 502 HG22 ILE 63 HG22 ILE 63 5.431 -9.288 6.238 503 HG23 ILE 63 HG23 ILE 63 6.076 -8.665 4.727 504 HD11 ILE 63 HD11 ILE 63 2.064 -9.061 7.797 505 HD12 ILE 63 HD12 ILE 63 3.466 -8.015 8.052 506 HD13 ILE 63 HD13 ILE 63 3.684 -9.637 7.399 507 H THR 64 HN THR 64 7.395 -6.724 5.731 508 HA THR 64 HA THR 64 7.927 -8.184 8.124 509 HB THR 64 HB THR 64 9.896 -6.893 6.203 510 HG1 THR 64 HG1 THR 64 8.803 -8.376 5.051 511 HG21 THR 64 HG21 THR 64 10.909 -7.511 8.374 512 HG22 THR 64 HG22 THR 64 11.507 -8.529 7.062 513 HG23 THR 64 HG23 THR 64 10.296 -9.153 8.178 514 H HIS 65 HN HIS 65 7.915 -4.851 7.253 515 HA HIS 65 HA HIS 65 9.399 -4.099 9.672 516 HB2 HIS 65 HB2 HIS 65 8.534 -2.442 7.298 517 HB3 HIS 65 HB1 HIS 65 9.241 -1.750 8.750 518 HD1 HIS 65 HD1 HIS 65 11.728 -1.422 8.607 519 HD2 HIS 65 HD2 HIS 65 10.345 -4.374 6.036 520 HE1 HIS 65 HE1 HIS 65 13.724 -2.219 7.354 521 H PHE 66 HN PHE 66 6.569 -2.888 8.004 522 HA PHE 66 HA PHE 66 5.636 -1.445 10.246 523 HB2 PHE 66 HB2 PHE 66 4.346 -2.092 7.614 524 HB3 PHE 66 HB1 PHE 66 3.764 -0.882 8.745 525 HD1 PHE 66 HD1 PHE 66 5.039 1.185 9.108 526 HD2 PHE 66 HD2 PHE 66 6.289 -1.723 6.274 527 HE1 PHE 66 HE1 PHE 66 6.596 2.831 8.092 528 HE2 PHE 66 HE2 PHE 66 7.820 -0.125 5.263 529 HZ PHE 66 HZ PHE 66 7.983 2.167 6.179 530 H GLY 67 HN GLY 67 4.391 -4.318 8.632 531 HA2 GLY 67 HA3 GLY 67 3.610 -6.010 10.378 532 HA3 GLY 67 HA2 GLY 67 2.577 -4.668 10.898 533 HA PRO 68 HA PRO 68 0.609 -7.119 7.399 534 HB2 PRO 68 HB2 PRO 68 -1.724 -7.671 8.791 535 HB3 PRO 68 HB1 PRO 68 -0.371 -8.790 8.600 536 HG2 PRO 68 HG2 PRO 68 -1.079 -7.056 10.913 537 HG3 PRO 68 HG1 PRO 68 -0.362 -8.675 10.902 538 HD2 PRO 68 HD2 PRO 68 1.074 -6.421 11.376 539 HD3 PRO 68 HD1 PRO 68 1.782 -7.844 10.609 540 H GLU 69 HN GLU 69 -1.428 -5.337 9.729 541 HA GLU 69 HA GLU 69 -3.058 -4.228 7.655 542 HB2 GLU 69 HB3 GLU 69 -2.798 -3.425 10.556 543 HB3 GLU 69 HB2 GLU 69 -4.070 -2.906 9.462 544 HG2 GLU 69 HG3 GLU 69 -4.895 -5.164 9.279 545 HG3 GLU 69 HG2 GLU 69 -3.556 -5.761 10.258 546 H GLU 70 HN GLU 70 -0.272 -3.258 9.407 547 HA GLU 70 HA GLU 70 -0.421 -0.502 8.810 548 HB2 GLU 70 HB3 GLU 70 0.869 -1.868 10.649 549 HB3 GLU 70 HB2 GLU 70 2.158 -1.826 9.461 550 HG2 GLU 70 HG3 GLU 70 2.363 -0.005 11.055 551 HG3 GLU 70 HG2 GLU 70 2.047 0.612 9.432 552 H ALA 71 HN ALA 71 1.283 -3.260 7.318 553 HA ALA 71 HA ALA 71 2.725 -1.911 5.333 554 HB1 ALA 71 HB1 ALA 71 2.676 -4.021 4.108 555 HB2 ALA 71 HB2 ALA 71 1.398 -4.613 5.172 556 HB3 ALA 71 HB3 ALA 71 3.005 -4.282 5.821 557 H TRP 72 HN TRP 72 -0.540 -3.226 5.285 558 HA TRP 72 HA TRP 72 -1.177 -2.518 2.653 559 HB2 TRP 72 HB2 TRP 72 -2.577 -4.116 3.760 560 HB3 TRP 72 HB1 TRP 72 -2.917 -3.007 5.081 561 HD1 TRP 72 HD1 TRP 72 -5.432 -2.547 4.936 562 HE1 TRP 72 HE1 TRP 72 -7.064 -1.799 3.095 563 HE3 TRP 72 HE3 TRP 72 -2.286 -2.688 0.928 564 HZ2 TRP 72 HZ2 TRP 72 -7.019 -1.305 0.358 565 HZ3 TRP 72 HZ3 TRP 72 -3.186 -2.070 -1.304 566 HH2 TRP 72 HH2 TRP 72 -5.497 -1.397 -1.563 567 H ARG 73 HN ARG 73 -1.561 -0.786 5.643 568 HA ARG 73 HA ARG 73 -2.890 1.440 4.633 569 HB2 ARG 73 HB2 ARG 73 -2.716 0.813 7.006 570 HB3 ARG 73 HB1 ARG 73 -1.012 1.198 6.978 571 HG2 ARG 73 HG2 ARG 73 -1.572 3.560 6.592 572 HG3 ARG 73 HG1 ARG 73 -3.294 3.141 6.684 573 HD2 ARG 73 HD2 ARG 73 -2.919 2.179 8.909 574 HD3 ARG 73 HD1 ARG 73 -1.236 2.677 8.826 575 HE ARG 73 HE ARG 73 -3.087 4.844 8.520 576 HH11 ARG 73 HH11 ARG 73 -1.179 2.916 10.783 577 HH12 ARG 73 HH12 ARG 73 -1.513 3.884 12.140 578 HH21 ARG 73 HH21 ARG 73 -3.475 6.248 10.316 579 HH22 ARG 73 HH22 ARG 73 -2.868 5.875 11.872 580 H LEU 74 HN LEU 74 0.542 0.729 5.132 581 HA LEU 74 HA LEU 74 1.646 3.145 4.257 582 HB2 LEU 74 HB2 LEU 74 2.627 0.440 4.783 583 HB3 LEU 74 HB1 LEU 74 3.510 1.251 3.512 584 HG LEU 74 HG LEU 74 4.505 1.421 5.812 585 HD11 LEU 74 HD11 LEU 74 4.985 3.859 5.666 586 HD12 LEU 74 HD12 LEU 74 3.864 3.962 4.300 587 HD13 LEU 74 HD13 LEU 74 5.310 2.954 4.212 588 HD21 LEU 74 HD21 LEU 74 3.565 3.054 7.364 589 HD22 LEU 74 HD22 LEU 74 2.453 1.710 7.098 590 HD23 LEU 74 HD23 LEU 74 2.161 3.265 6.316 591 H ALA 75 HN ALA 75 0.604 0.333 2.421 592 HA ALA 75 HA ALA 75 1.707 1.358 -0.020 593 HB1 ALA 75 HB1 ALA 75 -0.373 -0.773 0.366 594 HB2 ALA 75 HB2 ALA 75 1.381 -1.018 0.178 595 HB3 ALA 75 HB3 ALA 75 0.426 -0.352 -1.141 596 H LEU 76 HN LEU 76 -1.641 1.129 1.197 597 HA LEU 76 HA LEU 76 -2.666 2.392 -1.084 598 HB2 LEU 76 HB2 LEU 76 -4.802 2.503 -0.006 599 HB3 LEU 76 HB1 LEU 76 -4.054 0.999 0.445 600 HG LEU 76 HG LEU 76 -3.420 2.302 2.640 601 HD11 LEU 76 HD11 LEU 76 -4.113 4.486 2.026 602 HD12 LEU 76 HD12 LEU 76 -5.243 3.905 3.265 603 HD13 LEU 76 HD13 LEU 76 -5.693 3.894 1.552 604 HD21 LEU 76 HD21 LEU 76 -5.535 1.595 3.655 605 HD22 LEU 76 HD22 LEU 76 -4.860 0.371 2.582 606 HD23 LEU 76 HD23 LEU 76 -6.215 1.364 2.042 607 H SER 77 HN SER 77 -1.691 3.756 2.008 608 HA SER 77 HA SER 77 -2.412 6.338 1.100 609 HB2 SER 77 HB2 SER 77 -1.446 5.184 3.601 610 HB3 SER 77 HB1 SER 77 -1.161 6.936 3.382 611 HG SER 77 HG SER 77 -3.408 6.969 2.778 612 H THR 78 HN THR 78 0.050 4.562 0.144 613 HA THR 78 HA THR 78 1.608 6.980 -0.252 614 HB THR 78 HB THR 78 2.452 4.079 -0.579 615 HG1 THR 78 HG1 THR 78 2.802 4.377 1.417 616 HG21 THR 78 HG21 THR 78 3.578 5.494 -2.270 617 HG22 THR 78 HG22 THR 78 4.718 4.958 -1.033 618 HG23 THR 78 HG23 THR 78 4.085 6.601 -0.994 619 H PHE 79 HN PHE 79 -0.471 4.676 -1.743 620 HA PHE 79 HA PHE 79 0.109 5.070 -4.423 621 HB2 PHE 79 HB2 PHE 79 -2.568 4.655 -3.071 622 HB3 PHE 79 HB1 PHE 79 -2.381 4.619 -4.826 623 HD1 PHE 79 HD2 PHE 79 0.420 3.067 -4.386 624 HD2 PHE 79 HD1 PHE 79 -3.600 2.520 -3.101 625 HE1 PHE 79 HE2 PHE 79 0.823 0.668 -4.146 626 HE2 PHE 79 HE1 PHE 79 -3.200 0.109 -2.862 627 HZ PHE 79 HZ PHE 79 -0.984 -0.823 -3.387 628 H GLU 80 HN GLU 80 -2.076 6.825 -2.272 629 HA GLU 80 HA GLU 80 -2.947 8.892 -3.950 630 HB2 GLU 80 HB3 GLU 80 -3.306 10.139 -1.763 631 HB3 GLU 80 HB2 GLU 80 -4.066 8.551 -1.866 632 HG2 GLU 80 HG3 GLU 80 -2.429 7.564 -0.581 633 HG3 GLU 80 HG2 GLU 80 -1.367 8.966 -0.714 634 H ARG 81 HN ARG 81 0.172 8.401 -2.599 635 HA ARG 81 HA ARG 81 0.858 11.240 -2.553 636 HB2 ARG 81 HB2 ARG 81 2.510 8.861 -1.753 637 HB3 ARG 81 HB1 ARG 81 2.898 10.550 -1.462 638 HG2 ARG 81 HG2 ARG 81 0.564 9.048 -0.291 639 HG3 ARG 81 HG1 ARG 81 2.069 9.467 0.520 640 HD2 ARG 81 HD2 ARG 81 1.596 11.791 0.370 641 HD3 ARG 81 HD1 ARG 81 0.176 11.491 -0.635 642 HE ARG 81 HE ARG 81 -0.919 10.543 1.268 643 HH11 ARG 81 HH11 ARG 81 2.170 12.101 2.099 644 HH12 ARG 81 HH12 ARG 81 1.633 12.616 3.630 645 HH21 ARG 81 HH21 ARG 81 -1.583 11.160 3.433 646 HH22 ARG 81 HH22 ARG 81 -0.503 12.065 4.395 647 H ILE 82 HN ILE 82 1.179 8.463 -4.528 648 HA ILE 82 HA ILE 82 3.474 9.626 -5.951 649 HB ILE 82 HB ILE 82 3.875 7.400 -6.888 650 HG12 ILE 82 HG12 ILE 82 1.529 6.491 -5.191 651 HG13 ILE 82 HG11 ILE 82 1.512 6.623 -6.940 652 HG21 ILE 82 HG21 ILE 82 3.539 7.368 -3.891 653 HG22 ILE 82 HG22 ILE 82 4.929 7.987 -4.784 654 HG23 ILE 82 HG23 ILE 82 4.555 6.266 -4.824 655 HD11 ILE 82 HD11 ILE 82 3.231 4.758 -5.318 656 HD12 ILE 82 HD12 ILE 82 3.235 4.882 -7.075 657 HD13 ILE 82 HD13 ILE 82 1.791 4.314 -6.236 658 H ASN 83 HN ASN 83 0.536 10.168 -6.116 659 HA ASN 83 HA ASN 83 -1.046 10.770 -7.598 660 HB2 ASN 83 HB3 ASN 83 0.947 11.785 -8.858 661 HB3 ASN 83 HB2 ASN 83 1.002 10.321 -9.817 662 HD21 ASN 83 HD21 ASN 83 -1.898 10.080 -10.208 663 HD22 ASN 83 HD22 ASN 83 -2.370 11.387 -11.222 664 H ARG 84 HN ARG 84 -1.412 8.487 -6.643 665 HA ARG 84 HA ARG 84 -2.548 7.004 -8.842 666 HB2 ARG 84 HB2 ARG 84 -0.419 5.876 -8.248 667 HB3 ARG 84 HB1 ARG 84 -0.946 5.764 -6.580 668 HG2 ARG 84 HG2 ARG 84 -1.144 3.654 -7.847 669 HG3 ARG 84 HG1 ARG 84 -2.671 4.225 -7.170 670 HD2 ARG 84 HD2 ARG 84 -2.939 3.413 -9.413 671 HD3 ARG 84 HD1 ARG 84 -3.322 5.128 -9.268 672 HE ARG 84 HE ARG 84 -0.576 4.647 -10.077 673 HH11 ARG 84 HH11 ARG 84 -3.799 5.422 -11.329 674 HH12 ARG 84 HH12 ARG 84 -3.290 5.581 -12.926 675 HH21 ARG 84 HH21 ARG 84 0.133 4.992 -12.072 676 HH22 ARG 84 HH22 ARG 84 -0.856 5.338 -13.433 677 H LYS 85 HN LYS 85 -4.135 8.527 -7.849 678 HA LYS 85 HA LYS 85 -5.203 7.914 -5.271 679 HB2 LYS 85 HB2 LYS 85 -5.224 10.140 -5.676 680 HB3 LYS 85 HB1 LYS 85 -5.627 9.996 -7.381 681 HG2 LYS 85 HG2 LYS 85 -7.985 9.481 -6.686 682 HG3 LYS 85 HG1 LYS 85 -7.500 9.744 -5.008 683 HD2 LYS 85 HD2 LYS 85 -6.972 12.039 -5.433 684 HD3 LYS 85 HD1 LYS 85 -7.141 11.815 -7.167 685 HE2 LYS 85 HE2 LYS 85 -9.075 13.009 -6.185 686 HE3 LYS 85 HE1 LYS 85 -9.543 11.486 -6.928 687 HZ1 LYS 85 HZ1 LYS 85 -10.579 11.978 -4.723 688 HZ2 LYS 85 HZ2 LYS 85 -9.070 11.750 -4.005 689 HZ3 LYS 85 HZ3 LYS 85 -9.822 10.493 -4.887 690 H ASP 86 HN ASP 86 -5.628 6.920 -8.489 691 HA ASP 86 HA ASP 86 -8.295 6.235 -8.646 692 HB2 ASP 86 HB2 ASP 86 -6.213 4.355 -9.753 693 HB3 ASP 86 HB1 ASP 86 -7.753 4.805 -10.451 694 H LEU 87 HN LEU 87 -5.478 4.331 -7.940 695 HA LEU 87 HA LEU 87 -6.709 1.886 -7.216 696 HB2 LEU 87 HB2 LEU 87 -4.349 2.382 -8.104 697 HB3 LEU 87 HB1 LEU 87 -3.980 2.807 -6.438 698 HG LEU 87 HG LEU 87 -4.526 0.550 -5.768 699 HD11 LEU 87 HD11 LEU 87 -4.743 0.103 -8.749 700 HD12 LEU 87 HD12 LEU 87 -6.048 -0.082 -7.573 701 HD13 LEU 87 HD13 LEU 87 -4.664 -1.176 -7.546 702 HD21 LEU 87 HD21 LEU 87 -2.507 -0.468 -6.709 703 HD22 LEU 87 HD22 LEU 87 -2.247 1.201 -6.205 704 HD23 LEU 87 HD23 LEU 87 -2.444 0.817 -7.916 705 H TRP 88 HN TRP 88 -5.525 4.669 -5.518 706 HA TRP 88 HA TRP 88 -5.467 3.789 -2.896 707 HB2 TRP 88 HB2 TRP 88 -4.452 5.830 -3.598 708 HB3 TRP 88 HB1 TRP 88 -5.978 6.459 -4.150 709 HD1 TRP 88 HD1 TRP 88 -4.546 5.308 -0.721 710 HE1 TRP 88 HE1 TRP 88 -5.371 6.958 1.060 711 HE3 TRP 88 HE3 TRP 88 -7.427 8.274 -3.655 712 HZ2 TRP 88 HZ2 TRP 88 -7.052 9.215 1.220 713 HZ3 TRP 88 HZ3 TRP 88 -8.623 10.178 -2.623 714 HH2 TRP 88 HH2 TRP 88 -8.433 10.632 -0.237 715 H GLU 89 HN GLU 89 -8.145 5.362 -4.682 716 HA GLU 89 HA GLU 89 -9.870 5.207 -2.454 717 HB2 GLU 89 HB3 GLU 89 -10.341 5.852 -5.324 718 HB3 GLU 89 HB2 GLU 89 -11.664 5.744 -4.167 719 HG2 GLU 89 HG3 GLU 89 -10.624 7.463 -2.802 720 HG3 GLU 89 HG2 GLU 89 -9.265 7.526 -3.923 721 H ARG 90 HN ARG 90 -9.000 2.918 -4.722 722 HA ARG 90 HA ARG 90 -11.353 1.240 -4.467 723 HB2 ARG 90 HB2 ARG 90 -8.549 0.431 -5.212 724 HB3 ARG 90 HB1 ARG 90 -9.991 -0.539 -5.452 725 HG2 ARG 90 HG2 ARG 90 -10.735 1.115 -7.138 726 HG3 ARG 90 HG1 ARG 90 -9.214 1.989 -6.898 727 HD2 ARG 90 HD2 ARG 90 -8.026 -0.200 -7.399 728 HD3 ARG 90 HD1 ARG 90 -9.581 -0.825 -7.914 729 HE ARG 90 HE ARG 90 -9.191 1.521 -9.287 730 HH11 ARG 90 HH11 ARG 90 -7.758 -1.735 -9.168 731 HH12 ARG 90 HH12 ARG 90 -6.996 -1.663 -10.677 732 HH21 ARG 90 HH21 ARG 90 -8.153 1.651 -11.428 733 HH22 ARG 90 HH22 ARG 90 -7.259 0.335 -12.014 734 H GLY 91 HN GLY 91 -8.367 1.806 -2.811 735 HA2 GLY 91 HA3 GLY 91 -8.510 -0.661 -1.264 736 HA3 GLY 91 HA2 GLY 91 -7.199 0.506 -1.284 737 H GLN 92 HN GLN 92 -8.830 2.817 -0.707 738 HA GLN 92 HA GLN 92 -8.876 2.222 2.082 739 HB2 GLN 92 HB2 GLN 92 -9.030 4.676 2.497 740 HB3 GLN 92 HB1 GLN 92 -7.581 4.115 1.708 741 HG2 GLN 92 HG2 GLN 92 -8.145 6.165 0.703 742 HG3 GLN 92 HG1 GLN 92 -8.598 4.923 -0.454 743 HE21 GLN 92 HE21 GLN 92 -9.769 7.265 1.845 744 HE22 GLN 92 HE22 GLN 92 -11.370 7.346 1.214 745 H ARG 93 HN ARG 93 -10.285 2.550 3.547 746 HA ARG 93 HA ARG 93 -13.017 3.309 2.858 747 HB2 ARG 93 HB2 ARG 93 -13.877 1.526 4.378 748 HB3 ARG 93 HB1 ARG 93 -13.007 0.816 3.033 749 HG2 ARG 93 HG2 ARG 93 -11.724 1.246 5.731 750 HG3 ARG 93 HG1 ARG 93 -12.656 -0.198 5.354 751 HD2 ARG 93 HD2 ARG 93 -11.112 -0.797 3.601 752 HD3 ARG 93 HD1 ARG 93 -10.256 0.734 3.763 753 HE ARG 93 HE ARG 93 -9.852 -0.131 6.140 754 HH11 ARG 93 HH11 ARG 93 -9.793 -2.160 3.189 755 HH12 ARG 93 HH12 ARG 93 -8.757 -3.317 3.868 756 HH21 ARG 93 HH21 ARG 93 -8.349 -1.762 6.983 757 HH22 ARG 93 HH22 ARG 93 -7.922 -3.104 6.015 758 H GLU 94 HN GLU 94 -10.575 4.430 3.918 759 HA GLU 94 HA GLU 94 -10.930 4.709 6.798 760 HB2 GLU 94 HB3 GLU 94 -8.654 5.557 5.012 761 HB3 GLU 94 HB2 GLU 94 -8.667 5.552 6.763 762 HG2 GLU 94 HG3 GLU 94 -8.805 3.120 4.989 763 HG3 GLU 94 HG2 GLU 94 -7.377 3.695 5.841 764 H ASP 95 HN ASP 95 -12.374 6.419 7.135 765 HA ASP 95 HA ASP 95 -11.569 9.025 7.030 766 HB2 ASP 95 HB2 ASP 95 -11.985 8.674 4.465 767 HB3 ASP 95 HB1 ASP 95 -13.681 8.537 4.937 768 H LEU 96 HN LEU 96 -13.900 10.413 7.141 769 HA LEU 96 HA LEU 96 -16.067 8.997 8.250 770 HB2 LEU 96 HB2 LEU 96 -14.554 8.757 10.117 771 HB3 LEU 96 HB1 LEU 96 -14.224 10.478 10.111 772 HG LEU 96 HG LEU 96 -16.632 10.882 10.626 773 HD11 LEU 96 HD11 LEU 96 -17.957 9.039 11.553 774 HD12 LEU 96 HD12 LEU 96 -16.692 7.903 11.083 775 HD13 LEU 96 HD13 LEU 96 -17.576 8.801 9.850 776 HD21 LEU 96 HD21 LEU 96 -16.463 10.277 13.015 777 HD22 LEU 96 HD22 LEU 96 -14.985 11.001 12.387 778 HD23 LEU 96 HD23 LEU 96 -15.078 9.256 12.628 779 H VAL 97 HN VAL 97 -17.750 10.287 7.838 780 HA VAL 97 HA VAL 97 -17.766 13.049 8.419 781 HB VAL 97 HB VAL 97 -16.410 13.212 6.424 782 HG11 VAL 97 HG11 VAL 97 -18.676 11.886 4.939 783 HG12 VAL 97 HG12 VAL 97 -17.055 11.244 5.193 784 HG13 VAL 97 HG13 VAL 97 -17.291 12.663 4.168 785 HG21 VAL 97 HG21 VAL 97 -19.193 14.281 5.958 786 HG22 VAL 97 HG22 VAL 97 -17.744 14.845 5.129 787 HG23 VAL 97 HG23 VAL 97 -17.905 15.058 6.875 788 H ARG 98 HN ARG 98 -19.248 10.437 6.613 789 HA ARG 98 HA ARG 98 -21.884 11.658 7.076 790 HB2 ARG 98 HB2 ARG 98 -21.319 11.175 4.736 791 HB3 ARG 98 HB1 ARG 98 -21.048 9.489 5.144 792 HG2 ARG 98 HG2 ARG 98 -23.463 9.401 5.879 793 HG3 ARG 98 HG1 ARG 98 -23.650 10.993 5.138 794 HD2 ARG 98 HD2 ARG 98 -22.851 10.071 3.005 795 HD3 ARG 98 HD1 ARG 98 -22.724 8.481 3.755 796 HE ARG 98 HE ARG 98 -25.201 9.968 3.266 797 HH11 ARG 98 HH11 ARG 98 -23.660 6.876 4.142 798 HH12 ARG 98 HH12 ARG 98 -24.936 5.909 3.614 799 HH21 ARG 98 HH21 ARG 98 -26.990 8.640 2.535 800 HH22 ARG 98 HH22 ARG 98 -26.928 6.950 2.643 801 H ASP 99 HN ASP 99 -20.421 8.443 6.825 802 HA ASP 99 HA ASP 99 -22.455 7.405 8.591 803 HB2 ASP 99 HB2 ASP 99 -20.455 6.037 6.795 804 HB3 ASP 99 HB1 ASP 99 -21.530 5.172 7.892 805 H THR 100 HN THR 100 -22.068 7.513 10.579 806 HA THR 100 HA THR 100 -19.340 7.268 11.630 807 HB THR 100 HB THR 100 -21.867 7.962 12.982 808 HG1 THR 100 HG1 THR 100 -20.900 9.275 11.043 809 HG21 THR 100 HG21 THR 100 -18.995 8.666 13.647 810 HG22 THR 100 HG22 THR 100 -19.987 7.460 14.468 811 HG23 THR 100 HG23 THR 100 -20.397 9.170 14.590 812 H VAL 101 HN VAL 101 -18.910 5.224 12.239 813 HA VAL 101 HA VAL 101 -21.193 3.569 12.999 814 HB VAL 101 HB VAL 101 -19.856 1.618 12.257 815 HG11 VAL 101 HG11 VAL 101 -20.106 2.184 9.821 816 HG12 VAL 101 HG12 VAL 101 -20.351 3.878 10.327 817 HG13 VAL 101 HG13 VAL 101 -21.496 2.651 10.814 818 HG21 VAL 101 HG21 VAL 101 -17.981 3.757 11.242 819 HG22 VAL 101 HG22 VAL 101 -17.857 2.038 10.858 820 HG23 VAL 101 HG23 VAL 101 -17.609 2.601 12.516 821 H GLU 102 HN GLU 102 -18.497 5.028 14.309 822 HA GLU 102 HA GLU 102 -18.802 3.336 16.636 823 HB2 GLU 102 HB3 GLU 102 -16.183 4.378 15.514 824 HB3 GLU 102 HB2 GLU 102 -16.352 3.743 17.142 825 HG2 GLU 102 HG3 GLU 102 -17.095 1.597 16.196 826 HG3 GLU 102 HG2 GLU 102 -16.824 2.235 14.579 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 1.879 -14.152 29.997 2 H2 GLY 1 HT2 GLY 1 0.414 -14.607 30.748 3 H3 GLY 1 HT3 GLY 1 0.458 -13.352 29.617 4 HA2 GLY 1 HA2 GLY 1 1.113 -16.118 28.911 5 HA3 GLY 1 HA3 GLY 1 -0.466 -15.371 28.695 6 H HIS 2 HN HIS 2 1.723 -16.329 26.794 7 HA HIS 2 HA HIS 2 2.368 -13.831 25.484 8 HB2 HIS 2 HB2 HIS 2 3.111 -16.685 24.798 9 HB3 HIS 2 HB1 HIS 2 3.510 -15.319 23.772 10 HD1 HIS 2 HD1 HIS 2 5.291 -17.418 25.835 11 HD2 HIS 2 HD2 HIS 2 4.830 -13.282 25.830 12 HE1 HIS 2 HE1 HIS 2 7.319 -16.494 26.981 13 H MET 3 HN MET 3 0.784 -16.862 24.566 14 HA MET 3 HA MET 3 -0.586 -17.456 22.928 15 HB2 MET 3 HB2 MET 3 -2.240 -15.985 24.074 16 HB3 MET 3 HB1 MET 3 -1.676 -14.622 23.117 17 HG2 MET 3 HG2 MET 3 -2.468 -15.690 21.085 18 HG3 MET 3 HG1 MET 3 -2.956 -17.113 22.000 19 HE1 MET 3 HE1 MET 3 -3.645 -13.300 21.309 20 HE2 MET 3 HE2 MET 3 -3.365 -13.323 23.051 21 HE3 MET 3 HE3 MET 3 -4.972 -12.972 22.422 22 H LEU 4 HN LEU 4 1.050 -17.804 21.615 23 HA LEU 4 HA LEU 4 2.159 -15.740 19.969 24 HB2 LEU 4 HB2 LEU 4 2.681 -18.716 20.012 25 HB3 LEU 4 HB1 LEU 4 3.594 -17.541 19.091 26 HG LEU 4 HG LEU 4 3.434 -17.628 22.105 27 HD11 LEU 4 HD11 LEU 4 5.743 -18.392 21.996 28 HD12 LEU 4 HD12 LEU 4 5.646 -18.434 20.236 29 HD13 LEU 4 HD13 LEU 4 4.651 -19.525 21.201 30 HD21 LEU 4 HD21 LEU 4 5.112 -15.941 20.248 31 HD22 LEU 4 HD22 LEU 4 5.267 -16.002 22.004 32 HD23 LEU 4 HD23 LEU 4 3.795 -15.365 21.272 33 H ARG 5 HN ARG 5 2.659 -17.039 17.619 34 HA ARG 5 HA ARG 5 1.916 -17.248 15.571 35 HB2 ARG 5 HB2 ARG 5 -0.652 -18.194 16.850 36 HB3 ARG 5 HB1 ARG 5 -0.460 -18.067 15.114 37 HG2 ARG 5 HG2 ARG 5 1.084 -19.846 16.987 38 HG3 ARG 5 HG1 ARG 5 -0.114 -20.337 15.788 39 HD2 ARG 5 HD2 ARG 5 2.639 -19.193 15.293 40 HD3 ARG 5 HD1 ARG 5 2.045 -20.789 14.864 41 HE ARG 5 HE ARG 5 0.442 -18.873 13.589 42 HH11 ARG 5 HH11 ARG 5 3.739 -20.193 13.353 43 HH12 ARG 5 HH12 ARG 5 3.940 -19.754 11.742 44 HH21 ARG 5 HH21 ARG 5 0.748 -18.228 11.416 45 HH22 ARG 5 HH22 ARG 5 2.211 -18.547 10.591 46 H THR 6 HN THR 6 2.220 -15.349 14.982 47 HA THR 6 HA THR 6 0.764 -13.121 15.696 48 HB THR 6 HB THR 6 3.040 -12.959 14.843 49 HG1 THR 6 HG1 THR 6 1.931 -11.113 14.578 50 HG21 THR 6 HG21 THR 6 1.917 -13.794 12.158 51 HG22 THR 6 HG22 THR 6 3.007 -14.745 13.164 52 HG23 THR 6 HG23 THR 6 3.566 -13.235 12.445 53 H ALA 7 HN ALA 7 -1.074 -12.316 15.056 54 HA ALA 7 HA ALA 7 -2.733 -13.710 13.215 55 HB1 ALA 7 HB1 ALA 7 -3.135 -11.057 14.613 56 HB2 ALA 7 HB2 ALA 7 -3.679 -12.629 15.198 57 HB3 ALA 7 HB3 ALA 7 -4.375 -11.946 13.728 58 H GLY 8 HN GLY 8 -2.325 -13.568 11.149 59 HA2 GLY 8 HA3 GLY 8 -1.999 -10.914 9.983 60 HA3 GLY 8 HA2 GLY 8 -0.862 -12.195 9.566 61 H ARG 9 HN ARG 9 -3.645 -10.692 8.667 62 HA ARG 9 HA ARG 9 -4.183 -12.700 6.695 63 HB2 ARG 9 HB2 ARG 9 -5.683 -13.344 8.598 64 HB3 ARG 9 HB1 ARG 9 -6.346 -11.719 8.590 65 HG2 ARG 9 HG2 ARG 9 -7.151 -12.076 6.294 66 HG3 ARG 9 HG1 ARG 9 -6.546 -13.728 6.357 67 HD2 ARG 9 HD2 ARG 9 -8.067 -14.245 8.158 68 HD3 ARG 9 HD1 ARG 9 -8.620 -12.567 8.208 69 HE ARG 9 HE ARG 9 -8.914 -13.664 5.623 70 HH11 ARG 9 HH11 ARG 9 -10.419 -13.719 8.811 71 HH12 ARG 9 HH12 ARG 9 -11.978 -14.041 8.240 72 HH21 ARG 9 HH21 ARG 9 -11.045 -14.121 4.816 73 HH22 ARG 9 HH22 ARG 9 -12.354 -14.266 5.893 74 H ASP 10 HN ASP 10 -5.195 -11.752 4.917 75 HA ASP 10 HA ASP 10 -6.160 -10.283 3.551 76 HB2 ASP 10 HB2 ASP 10 -7.601 -9.546 5.429 77 HB3 ASP 10 HB1 ASP 10 -6.379 -8.364 5.870 78 H GLY 11 HN GLY 11 -4.001 -8.587 5.736 79 HA2 GLY 11 HA3 GLY 11 -3.015 -6.616 4.062 80 HA3 GLY 11 HA2 GLY 11 -2.083 -7.352 5.358 81 H LEU 12 HN LEU 12 -1.232 -9.667 4.692 82 HA LEU 12 HA LEU 12 0.185 -9.180 2.230 83 HB2 LEU 12 HB2 LEU 12 1.377 -9.997 4.189 84 HB3 LEU 12 HB1 LEU 12 0.392 -11.466 4.106 85 HG LEU 12 HG LEU 12 1.399 -12.017 1.932 86 HD11 LEU 12 HD11 LEU 12 3.126 -9.599 2.409 87 HD12 LEU 12 HD12 LEU 12 1.921 -9.798 1.130 88 HD13 LEU 12 HD13 LEU 12 3.370 -10.800 1.141 89 HD21 LEU 12 HD21 LEU 12 3.612 -12.608 2.739 90 HD22 LEU 12 HD22 LEU 12 2.354 -12.910 3.950 91 HD23 LEU 12 HD23 LEU 12 3.404 -11.495 4.098 92 H CYS 13 HN CYS 13 -1.466 -9.270 1.154 93 HA CYS 13 HA CYS 13 -1.929 -11.443 -0.559 94 HB2 CYS 13 HB2 CYS 13 -3.288 -12.341 1.321 95 HB3 CYS 13 HB1 CYS 13 -4.247 -10.870 1.334 96 HG CYS 13 HG CYS 13 -5.342 -11.373 -1.244 97 H ARG 14 HN ARG 14 -4.041 -8.924 0.856 98 HA ARG 14 HA ARG 14 -5.099 -7.954 -1.554 99 HB2 ARG 14 HB2 ARG 14 -6.058 -7.576 0.742 100 HB3 ARG 14 HB1 ARG 14 -4.744 -6.450 1.055 101 HG2 ARG 14 HG2 ARG 14 -5.536 -5.104 -0.887 102 HG3 ARG 14 HG1 ARG 14 -6.925 -6.180 -0.994 103 HD2 ARG 14 HD2 ARG 14 -6.192 -4.417 1.342 104 HD3 ARG 14 HD1 ARG 14 -7.496 -4.139 0.197 105 HE ARG 14 HE ARG 14 -7.451 -6.489 1.957 106 HH11 ARG 14 HH11 ARG 14 -9.170 -3.571 0.817 107 HH12 ARG 14 HH12 ARG 14 -10.580 -3.950 1.675 108 HH21 ARG 14 HH21 ARG 14 -9.308 -6.953 3.033 109 HH22 ARG 14 HH22 ARG 14 -10.683 -5.919 3.020 110 H LEU 15 HN LEU 15 -2.438 -6.889 0.472 111 HA LEU 15 HA LEU 15 -1.701 -4.551 -0.737 112 HB2 LEU 15 HB2 LEU 15 -0.893 -5.336 1.395 113 HB3 LEU 15 HB1 LEU 15 -0.072 -6.673 0.633 114 HG LEU 15 HG LEU 15 1.518 -5.127 -0.388 115 HD11 LEU 15 HD11 LEU 15 0.019 -3.209 -0.610 116 HD12 LEU 15 HD12 LEU 15 1.507 -2.803 0.243 117 HD13 LEU 15 HD13 LEU 15 0.013 -3.031 1.144 118 HD21 LEU 15 HD21 LEU 15 1.114 -4.743 2.559 119 HD22 LEU 15 HD22 LEU 15 2.603 -4.419 1.673 120 HD23 LEU 15 HD23 LEU 15 1.989 -6.068 1.793 121 H SER 16 HN SER 16 -0.648 -7.857 -1.486 122 HA SER 16 HA SER 16 1.241 -7.116 -3.437 123 HB2 SER 16 HB2 SER 16 1.223 -9.312 -2.239 124 HB3 SER 16 HB1 SER 16 -0.233 -9.750 -3.120 125 HG SER 16 HG SER 16 1.284 -10.611 -4.292 126 H THR 17 HN THR 17 -2.172 -8.152 -3.626 127 HA THR 17 HA THR 17 -2.455 -8.293 -6.389 128 HB THR 17 HB THR 17 -4.541 -7.476 -4.352 129 HG1 THR 17 HG1 THR 17 -3.149 -9.785 -4.831 130 HG21 THR 17 HG21 THR 17 -4.787 -8.949 -6.990 131 HG22 THR 17 HG22 THR 17 -5.260 -7.273 -6.717 132 HG23 THR 17 HG23 THR 17 -6.116 -8.577 -5.890 133 H TYR 18 HN TYR 18 -2.808 -5.527 -4.215 134 HA TYR 18 HA TYR 18 -3.680 -3.775 -6.305 135 HB2 TYR 18 HB2 TYR 18 -2.877 -3.293 -3.445 136 HB3 TYR 18 HB1 TYR 18 -3.230 -1.959 -4.535 137 HD1 TYR 18 HD1 TYR 18 -4.799 -5.222 -3.610 138 HD2 TYR 18 HD2 TYR 18 -5.365 -1.083 -4.340 139 HE1 TYR 18 HE1 TYR 18 -7.187 -5.463 -3.097 140 HE2 TYR 18 HE2 TYR 18 -7.743 -1.312 -3.824 141 HH TYR 18 HH TYR 18 -9.474 -3.070 -3.788 142 H LEU 19 HN LEU 19 -0.602 -4.407 -4.717 143 HA LEU 19 HA LEU 19 0.711 -2.245 -5.936 144 HB2 LEU 19 HB2 LEU 19 1.762 -4.709 -4.597 145 HB3 LEU 19 HB1 LEU 19 2.826 -3.511 -5.304 146 HG LEU 19 HG LEU 19 0.860 -2.944 -3.059 147 HD11 LEU 19 HD11 LEU 19 2.612 -4.442 -2.336 148 HD12 LEU 19 HD12 LEU 19 2.836 -2.834 -1.647 149 HD13 LEU 19 HD13 LEU 19 3.841 -3.362 -3.000 150 HD21 LEU 19 HD21 LEU 19 1.361 -0.983 -4.465 151 HD22 LEU 19 HD22 LEU 19 3.083 -1.260 -4.243 152 HD23 LEU 19 HD23 LEU 19 2.071 -0.831 -2.866 153 H GLU 20 HN GLU 20 -0.228 -5.236 -7.227 154 HA GLU 20 HA GLU 20 1.830 -5.581 -9.133 155 HB2 GLU 20 HB3 GLU 20 -1.018 -6.548 -9.193 156 HB3 GLU 20 HB2 GLU 20 0.219 -7.034 -10.345 157 HG2 GLU 20 HG3 GLU 20 1.553 -7.948 -8.528 158 HG3 GLU 20 HG2 GLU 20 0.306 -7.474 -7.379 159 H GLU 21 HN GLU 21 -0.722 -3.349 -9.019 160 HA GLU 21 HA GLU 21 -0.790 -2.888 -11.855 161 HB2 GLU 21 HB3 GLU 21 -1.988 -1.374 -9.540 162 HB3 GLU 21 HB2 GLU 21 -2.227 -0.932 -11.222 163 HG2 GLU 21 HG3 GLU 21 -3.258 -3.121 -11.641 164 HG3 GLU 21 HG2 GLU 21 -3.036 -3.530 -9.942 165 H LEU 22 HN LEU 22 1.335 -2.061 -9.411 166 HA LEU 22 HA LEU 22 2.207 0.368 -10.712 167 HB2 LEU 22 HB2 LEU 22 2.992 -0.945 -8.105 168 HB3 LEU 22 HB1 LEU 22 3.818 0.435 -8.774 169 HG LEU 22 HG LEU 22 1.654 1.680 -8.652 170 HD11 LEU 22 HD11 LEU 22 0.098 -0.159 -8.520 171 HD12 LEU 22 HD12 LEU 22 -0.075 0.924 -7.139 172 HD13 LEU 22 HD13 LEU 22 0.764 -0.615 -6.950 173 HD21 LEU 22 HD21 LEU 22 3.425 2.030 -7.046 174 HD22 LEU 22 HD22 LEU 22 2.849 0.669 -6.084 175 HD23 LEU 22 HD23 LEU 22 1.856 2.119 -6.245 176 H GLU 23 HN GLU 23 3.965 0.414 -11.943 177 HA GLU 23 HA GLU 23 5.446 -2.070 -12.324 178 HB2 GLU 23 HB3 GLU 23 6.264 -1.090 -14.376 179 HB3 GLU 23 HB2 GLU 23 4.523 -0.828 -14.256 180 HG2 GLU 23 HG3 GLU 23 4.703 1.393 -14.070 181 HG3 GLU 23 HG2 GLU 23 6.287 1.313 -13.286 182 H ALA 24 HN ALA 24 7.895 -1.106 -13.198 183 HA ALA 24 HA ALA 24 9.399 -0.827 -10.918 184 HB1 ALA 24 HB1 ALA 24 10.316 -1.497 -13.078 185 HB2 ALA 24 HB2 ALA 24 11.250 -0.183 -12.366 186 HB3 ALA 24 HB3 ALA 24 10.117 0.148 -13.677 187 H VAL 25 HN VAL 25 8.477 1.857 -13.138 188 HA VAL 25 HA VAL 25 9.724 3.815 -11.507 189 HB VAL 25 HB VAL 25 9.313 4.308 -13.887 190 HG11 VAL 25 HG11 VAL 25 7.167 3.203 -14.190 191 HG12 VAL 25 HG12 VAL 25 7.086 4.885 -14.717 192 HG13 VAL 25 HG13 VAL 25 6.392 4.411 -13.165 193 HG21 VAL 25 HG21 VAL 25 8.451 6.596 -13.675 194 HG22 VAL 25 HG22 VAL 25 9.565 6.202 -12.355 195 HG23 VAL 25 HG23 VAL 25 7.823 6.186 -12.080 196 H GLU 26 HN GLU 26 6.570 2.450 -11.462 197 HA GLU 26 HA GLU 26 5.380 4.495 -9.864 198 HB2 GLU 26 HB3 GLU 26 4.520 1.658 -10.390 199 HB3 GLU 26 HB2 GLU 26 3.516 2.906 -9.660 200 HG2 GLU 26 HG3 GLU 26 4.707 3.014 -12.408 201 HG3 GLU 26 HG2 GLU 26 3.041 2.560 -12.066 202 H LEU 27 HN LEU 27 6.643 1.261 -9.258 203 HA LEU 27 HA LEU 27 6.291 1.288 -6.458 204 HB2 LEU 27 HB2 LEU 27 8.185 -0.260 -8.216 205 HB3 LEU 27 HB1 LEU 27 8.022 -0.532 -6.499 206 HG LEU 27 HG LEU 27 5.822 -0.930 -8.534 207 HD11 LEU 27 HD11 LEU 27 7.525 -2.925 -7.051 208 HD12 LEU 27 HD12 LEU 27 7.623 -2.551 -8.773 209 HD13 LEU 27 HD13 LEU 27 6.172 -3.308 -8.116 210 HD21 LEU 27 HD21 LEU 27 5.955 -1.570 -5.584 211 HD22 LEU 27 HD22 LEU 27 4.661 -2.052 -6.675 212 HD23 LEU 27 HD23 LEU 27 4.937 -0.344 -6.340 213 H LYS 28 HN LYS 28 8.671 2.579 -8.583 214 HA LYS 28 HA LYS 28 10.812 2.934 -6.819 215 HB2 LYS 28 HB2 LYS 28 10.936 3.169 -9.290 216 HB3 LYS 28 HB1 LYS 28 10.018 4.656 -9.164 217 HG2 LYS 28 HG2 LYS 28 11.814 5.594 -7.776 218 HG3 LYS 28 HG1 LYS 28 12.759 4.138 -8.075 219 HD2 LYS 28 HD2 LYS 28 12.677 4.582 -10.476 220 HD3 LYS 28 HD1 LYS 28 11.738 6.047 -10.171 221 HE2 LYS 28 HE2 LYS 28 13.585 6.919 -8.806 222 HE3 LYS 28 HE1 LYS 28 14.515 5.473 -9.188 223 HZ1 LYS 28 HZ1 LYS 28 13.559 7.487 -11.140 224 HZ2 LYS 28 HZ2 LYS 28 14.386 6.082 -11.525 225 HZ3 LYS 28 HZ3 LYS 28 15.151 7.275 -10.617 226 H LYS 29 HN LYS 29 8.088 4.985 -7.657 227 HA LYS 29 HA LYS 29 8.768 7.259 -6.063 228 HB2 LYS 29 HB2 LYS 29 6.015 6.279 -6.743 229 HB3 LYS 29 HB1 LYS 29 6.500 7.941 -6.431 230 HG2 LYS 29 HG2 LYS 29 7.708 8.017 -8.532 231 HG3 LYS 29 HG1 LYS 29 7.296 6.326 -8.838 232 HD2 LYS 29 HD2 LYS 29 4.888 6.968 -8.690 233 HD3 LYS 29 HD1 LYS 29 5.399 8.654 -8.611 234 HE2 LYS 29 HE2 LYS 29 5.970 6.733 -10.860 235 HE3 LYS 29 HE1 LYS 29 4.730 7.978 -10.866 236 HZ1 LYS 29 HZ1 LYS 29 6.664 8.684 -12.054 237 HZ2 LYS 29 HZ2 LYS 29 7.657 8.449 -10.705 238 HZ3 LYS 29 HZ3 LYS 29 6.477 9.649 -10.689 239 H PHE 30 HN PHE 30 6.762 4.446 -5.664 240 HA PHE 30 HA PHE 30 5.704 4.961 -3.167 241 HB2 PHE 30 HB2 PHE 30 4.493 3.378 -4.241 242 HB3 PHE 30 HB1 PHE 30 5.893 2.705 -5.035 243 HD1 PHE 30 HD1 PHE 30 3.899 2.616 -1.846 244 HD2 PHE 30 HD2 PHE 30 6.873 0.790 -4.284 245 HE1 PHE 30 HE1 PHE 30 3.751 0.619 -0.515 246 HE2 PHE 30 HE2 PHE 30 6.741 -1.239 -2.909 247 HZ PHE 30 HZ PHE 30 5.182 -1.338 -1.032 248 H LYS 31 HN LYS 31 8.588 3.046 -4.001 249 HA LYS 31 HA LYS 31 9.166 2.360 -1.315 250 HB2 LYS 31 HB2 LYS 31 11.268 1.532 -2.119 251 HB3 LYS 31 HB1 LYS 31 10.030 1.151 -3.319 252 HG2 LYS 31 HG2 LYS 31 10.841 3.071 -4.663 253 HG3 LYS 31 HG1 LYS 31 12.130 3.311 -3.486 254 HD2 LYS 31 HD2 LYS 31 12.924 1.012 -3.932 255 HD3 LYS 31 HD1 LYS 31 11.667 0.837 -5.155 256 HE2 LYS 31 HE2 LYS 31 13.684 1.368 -6.284 257 HE3 LYS 31 HE1 LYS 31 12.694 2.820 -6.333 258 HZ1 LYS 31 HZ1 LYS 31 15.034 2.285 -4.594 259 HZ2 LYS 31 HZ2 LYS 31 14.054 3.653 -4.398 260 HZ3 LYS 31 HZ3 LYS 31 14.912 3.433 -5.802 261 H LEU 32 HN LEU 32 9.937 5.084 -3.292 262 HA LEU 32 HA LEU 32 11.989 6.250 -1.823 263 HB2 LEU 32 HB2 LEU 32 11.526 6.841 -4.023 264 HB3 LEU 32 HB1 LEU 32 9.844 7.170 -3.652 265 HG LEU 32 HG LEU 32 11.007 8.855 -2.026 266 HD11 LEU 32 HD11 LEU 32 12.909 9.998 -3.116 267 HD12 LEU 32 HD12 LEU 32 12.931 8.700 -4.309 268 HD13 LEU 32 HD13 LEU 32 13.266 8.341 -2.610 269 HD21 LEU 32 HD21 LEU 32 10.345 9.366 -4.912 270 HD22 LEU 32 HD22 LEU 32 10.657 10.645 -3.730 271 HD23 LEU 32 HD23 LEU 32 9.319 9.524 -3.476 272 H TYR 33 HN TYR 33 8.477 6.539 -1.844 273 HA TYR 33 HA TYR 33 8.335 8.675 -0.092 274 HB2 TYR 33 HB2 TYR 33 6.561 8.303 -1.659 275 HB3 TYR 33 HB1 TYR 33 6.217 6.719 -0.978 276 HD1 TYR 33 HD1 TYR 33 6.155 10.347 -0.179 277 HD2 TYR 33 HD2 TYR 33 4.635 6.486 0.749 278 HE1 TYR 33 HE1 TYR 33 4.510 11.362 1.330 279 HE2 TYR 33 HE2 TYR 33 2.979 7.489 2.263 280 HH TYR 33 HH TYR 33 2.768 9.577 3.577 281 H LEU 34 HN LEU 34 8.459 5.230 0.496 282 HA LEU 34 HA LEU 34 7.938 5.849 3.312 283 HB2 LEU 34 HB2 LEU 34 6.882 3.630 3.582 284 HB3 LEU 34 HB1 LEU 34 6.030 4.772 2.569 285 HG LEU 34 HG LEU 34 7.063 3.505 0.587 286 HD11 LEU 34 HD11 LEU 34 8.678 2.160 1.795 287 HD12 LEU 34 HD12 LEU 34 7.511 1.144 0.951 288 HD13 LEU 34 HD13 LEU 34 7.378 1.378 2.695 289 HD21 LEU 34 HD21 LEU 34 5.230 1.936 0.594 290 HD22 LEU 34 HD22 LEU 34 4.736 3.538 1.157 291 HD23 LEU 34 HD23 LEU 34 4.986 2.227 2.320 292 H GLY 35 HN GLY 35 9.975 3.942 1.206 293 HA2 GLY 35 HA3 GLY 35 10.938 2.525 3.489 294 HA3 GLY 35 HA2 GLY 35 11.410 2.221 1.821 295 H THR 36 HN THR 36 11.860 5.296 1.732 296 HA THR 36 HA THR 36 14.348 5.340 3.263 297 HB THR 36 HB THR 36 14.891 4.580 0.962 298 HG1 THR 36 HG1 THR 36 16.023 6.541 2.258 299 HG21 THR 36 HG21 THR 36 13.780 7.255 0.104 300 HG22 THR 36 HG22 THR 36 13.097 5.669 -0.252 301 HG23 THR 36 HG23 THR 36 14.654 6.132 -0.942 302 H ALA 37 HN ALA 37 11.630 6.636 3.327 303 HA ALA 37 HA ALA 37 12.207 9.409 2.760 304 HB1 ALA 37 HB1 ALA 37 10.009 8.505 2.235 305 HB2 ALA 37 HB2 ALA 37 9.894 9.793 3.431 306 HB3 ALA 37 HB3 ALA 37 9.771 8.103 3.925 307 H THR 38 HN THR 38 12.526 10.968 4.236 308 HA THR 38 HA THR 38 13.513 10.215 6.777 309 HB THR 38 HB THR 38 12.943 12.999 5.709 310 HG1 THR 38 HG1 THR 38 15.048 11.159 5.277 311 HG21 THR 38 HG21 THR 38 13.550 12.878 8.111 312 HG22 THR 38 HG22 THR 38 14.824 13.650 7.164 313 HG23 THR 38 HG23 THR 38 15.006 11.977 7.688 314 H GLU 39 HN GLU 39 10.476 11.112 5.573 315 HA GLU 39 HA GLU 39 9.419 12.001 8.085 316 HB2 GLU 39 HB3 GLU 39 7.215 12.056 6.997 317 HB3 GLU 39 HB2 GLU 39 8.433 12.897 6.059 318 HG2 GLU 39 HG3 GLU 39 8.579 10.933 4.571 319 HG3 GLU 39 HG2 GLU 39 7.282 10.176 5.497 320 H LEU 40 HN LEU 40 10.229 9.051 6.954 321 HA LEU 40 HA LEU 40 8.372 7.643 8.731 322 HB2 LEU 40 HB2 LEU 40 10.058 6.833 6.426 323 HB3 LEU 40 HB1 LEU 40 9.763 5.679 7.710 324 HG LEU 40 HG LEU 40 8.211 5.324 5.859 325 HD11 LEU 40 HD11 LEU 40 6.106 5.350 7.048 326 HD12 LEU 40 HD12 LEU 40 6.760 6.484 8.216 327 HD13 LEU 40 HD13 LEU 40 7.422 4.852 8.115 328 HD21 LEU 40 HD21 LEU 40 6.498 6.983 5.272 329 HD22 LEU 40 HD22 LEU 40 8.124 7.569 4.919 330 HD23 LEU 40 HD23 LEU 40 7.269 8.144 6.352 331 H GLY 41 HN GLY 41 10.858 9.300 9.077 332 HA2 GLY 41 HA3 GLY 41 12.276 9.528 10.880 333 HA3 GLY 41 HA2 GLY 41 11.824 7.909 11.402 334 H GLU 42 HN GLU 42 12.736 6.168 10.275 335 HA GLU 42 HA GLU 42 15.596 6.616 9.768 336 HB2 GLU 42 HB3 GLU 42 14.007 4.085 10.057 337 HB3 GLU 42 HB2 GLU 42 15.745 4.181 9.872 338 HG2 GLU 42 HG3 GLU 42 15.987 5.166 12.009 339 HG3 GLU 42 HG2 GLU 42 14.235 5.376 12.167 340 H GLY 43 HN GLY 43 12.696 5.546 8.180 341 HA2 GLY 43 HA3 GLY 43 12.390 4.869 5.952 342 HA3 GLY 43 HA2 GLY 43 14.141 5.017 5.699 343 H LYS 44 HN LYS 44 11.618 3.015 6.880 344 HA LYS 44 HA LYS 44 13.036 1.287 8.487 345 HB2 LYS 44 HB2 LYS 44 10.363 1.181 7.247 346 HB3 LYS 44 HB1 LYS 44 11.010 -0.311 7.905 347 HG2 LYS 44 HG2 LYS 44 9.587 0.948 9.500 348 HG3 LYS 44 HG1 LYS 44 11.222 0.665 10.087 349 HD2 LYS 44 HD2 LYS 44 11.823 2.965 9.423 350 HD3 LYS 44 HD1 LYS 44 10.166 3.224 8.886 351 HE2 LYS 44 HE2 LYS 44 10.562 4.159 11.080 352 HE3 LYS 44 HE1 LYS 44 9.362 2.859 11.131 353 HZ1 LYS 44 HZ1 LYS 44 11.119 1.384 11.961 354 HZ2 LYS 44 HZ2 LYS 44 10.835 2.662 12.981 355 HZ3 LYS 44 HZ3 LYS 44 12.224 2.659 12.041 356 H ILE 45 HN ILE 45 12.763 1.138 5.035 357 HA ILE 45 HA ILE 45 13.442 -1.685 5.005 358 HB ILE 45 HB ILE 45 13.245 0.130 2.598 359 HG12 ILE 45 HG12 ILE 45 11.113 0.306 3.877 360 HG13 ILE 45 HG11 ILE 45 10.899 -0.486 2.324 361 HG21 ILE 45 HG21 ILE 45 14.272 -1.986 2.142 362 HG22 ILE 45 HG22 ILE 45 12.621 -2.021 1.488 363 HG23 ILE 45 HG23 ILE 45 12.983 -2.842 2.991 364 HD11 ILE 45 HD11 ILE 45 10.846 -2.647 3.461 365 HD12 ILE 45 HD12 ILE 45 9.593 -1.558 4.057 366 HD13 ILE 45 HD13 ILE 45 11.058 -1.832 5.007 367 HA PRO 46 HA PRO 46 17.814 -0.772 4.651 368 HB2 PRO 46 HB2 PRO 46 18.541 -3.089 3.309 369 HB3 PRO 46 HB1 PRO 46 18.428 -2.928 5.063 370 HG2 PRO 46 HG2 PRO 46 16.491 -4.078 3.129 371 HG3 PRO 46 HG1 PRO 46 16.883 -4.600 4.782 372 HD2 PRO 46 HD2 PRO 46 14.638 -3.249 4.175 373 HD3 PRO 46 HD1 PRO 46 15.457 -3.048 5.733 374 H TRP 47 HN TRP 47 19.272 -0.241 3.159 375 HA TRP 47 HA TRP 47 18.685 1.494 1.267 376 HB2 TRP 47 HB2 TRP 47 21.143 -0.227 1.359 377 HB3 TRP 47 HB1 TRP 47 20.996 1.280 0.469 378 HD1 TRP 47 HD1 TRP 47 21.427 3.486 1.785 379 HE1 TRP 47 HE1 TRP 47 22.031 4.045 4.226 380 HE3 TRP 47 HE3 TRP 47 20.690 -1.121 3.918 381 HZ2 TRP 47 HZ2 TRP 47 22.168 2.732 6.706 382 HZ3 TRP 47 HZ3 TRP 47 21.072 -1.372 6.323 383 HH2 TRP 47 HH2 TRP 47 21.798 0.513 7.691 384 H GLY 48 HN GLY 48 19.087 -1.981 0.447 385 HA2 GLY 48 HA3 GLY 48 18.560 -1.144 -2.328 386 HA3 GLY 48 HA2 GLY 48 19.817 -2.297 -1.952 387 H SER 49 HN SER 49 16.952 -2.613 -0.072 388 HA SER 49 HA SER 49 16.585 -5.175 -1.340 389 HB2 SER 49 HB2 SER 49 15.128 -3.949 0.991 390 HB3 SER 49 HB1 SER 49 15.036 -5.638 0.485 391 HG SER 49 HG SER 49 17.571 -4.602 0.848 392 H MET 50 HN MET 50 15.094 -2.074 -1.595 393 HA MET 50 HA MET 50 12.573 -3.197 -2.563 394 HB2 MET 50 HB2 MET 50 13.387 -0.279 -2.384 395 HB3 MET 50 HB1 MET 50 11.778 -0.942 -2.675 396 HG2 MET 50 HG2 MET 50 11.633 -1.786 -0.504 397 HG3 MET 50 HG1 MET 50 13.332 -1.387 -0.205 398 HE1 MET 50 HE1 MET 50 14.255 1.032 0.172 399 HE2 MET 50 HE2 MET 50 13.289 2.501 0.024 400 HE3 MET 50 HE3 MET 50 13.656 1.546 -1.410 401 H GLU 51 HN GLU 51 15.550 -2.163 -3.745 402 HA GLU 51 HA GLU 51 15.038 -0.875 -6.129 403 HB2 GLU 51 HB3 GLU 51 17.232 -2.807 -5.555 404 HB3 GLU 51 HB2 GLU 51 17.174 -1.697 -6.912 405 HG2 GLU 51 HG3 GLU 51 17.390 -1.065 -3.977 406 HG3 GLU 51 HG2 GLU 51 18.596 -0.740 -5.221 407 H LYS 52 HN LYS 52 15.339 -4.342 -5.650 408 HA LYS 52 HA LYS 52 14.384 -4.710 -8.416 409 HB2 LYS 52 HB2 LYS 52 15.808 -6.658 -6.622 410 HB3 LYS 52 HB1 LYS 52 15.254 -7.006 -8.255 411 HG2 LYS 52 HG2 LYS 52 16.776 -5.236 -9.086 412 HG3 LYS 52 HG1 LYS 52 17.378 -5.042 -7.439 413 HD2 LYS 52 HD2 LYS 52 17.482 -7.566 -9.082 414 HD3 LYS 52 HD1 LYS 52 18.845 -6.493 -8.782 415 HE2 LYS 52 HE2 LYS 52 18.683 -6.973 -6.373 416 HE3 LYS 52 HE1 LYS 52 17.317 -8.041 -6.678 417 HZ1 LYS 52 HZ1 LYS 52 19.355 -9.288 -6.457 418 HZ2 LYS 52 HZ2 LYS 52 20.069 -8.397 -7.694 419 HZ3 LYS 52 HZ3 LYS 52 18.769 -9.416 -8.037 420 H ALA 53 HN ALA 53 12.990 -4.310 -5.711 421 HA ALA 53 HA ALA 53 11.624 -6.839 -5.404 422 HB1 ALA 53 HB1 ALA 53 11.095 -4.229 -3.985 423 HB2 ALA 53 HB2 ALA 53 12.175 -5.504 -3.419 424 HB3 ALA 53 HB3 ALA 53 10.445 -5.811 -3.551 425 H GLY 54 HN GLY 54 9.681 -7.371 -6.102 426 HA2 GLY 54 HA3 GLY 54 8.247 -5.516 -7.816 427 HA3 GLY 54 HA2 GLY 54 8.108 -7.286 -7.731 428 HA PRO 55 HA PRO 55 4.504 -5.145 -5.528 429 HB2 PRO 55 HB2 PRO 55 3.298 -7.567 -6.754 430 HB3 PRO 55 HB1 PRO 55 2.656 -5.926 -6.639 431 HG2 PRO 55 HG2 PRO 55 3.649 -6.860 -8.937 432 HG3 PRO 55 HG1 PRO 55 3.885 -5.173 -8.442 433 HD2 PRO 55 HD2 PRO 55 5.870 -7.425 -8.434 434 HD3 PRO 55 HD1 PRO 55 6.099 -5.690 -8.675 435 H LEU 56 HN LEU 56 5.237 -8.567 -5.865 436 HA LEU 56 HA LEU 56 3.977 -9.408 -3.414 437 HB2 LEU 56 HB2 LEU 56 4.315 -10.909 -5.322 438 HB3 LEU 56 HB1 LEU 56 6.046 -10.742 -5.143 439 HG LEU 56 HG LEU 56 5.891 -11.862 -2.942 440 HD11 LEU 56 HD11 LEU 56 3.842 -13.073 -2.378 441 HD12 LEU 56 HD12 LEU 56 3.025 -12.314 -3.745 442 HD13 LEU 56 HD13 LEU 56 3.587 -11.326 -2.399 443 HD21 LEU 56 HD21 LEU 56 6.484 -13.061 -4.952 444 HD22 LEU 56 HD22 LEU 56 4.787 -13.357 -5.308 445 HD23 LEU 56 HD23 LEU 56 5.537 -14.100 -3.886 446 H GLU 57 HN GLU 57 7.259 -8.786 -4.393 447 HA GLU 57 HA GLU 57 8.482 -9.531 -1.956 448 HB2 GLU 57 HB3 GLU 57 9.490 -7.721 -4.148 449 HB3 GLU 57 HB2 GLU 57 10.483 -8.532 -2.933 450 HG2 GLU 57 HG3 GLU 57 9.880 -10.681 -3.799 451 HG3 GLU 57 HG2 GLU 57 8.737 -9.949 -4.921 452 H MET 58 HN MET 58 7.477 -6.458 -3.335 453 HA MET 58 HA MET 58 8.282 -4.725 -1.285 454 HB2 MET 58 HB2 MET 58 5.984 -4.610 -3.223 455 HB3 MET 58 HB1 MET 58 6.343 -3.291 -2.120 456 HG2 MET 58 HG2 MET 58 8.293 -4.410 -4.085 457 HG3 MET 58 HG1 MET 58 7.263 -3.073 -4.514 458 HE1 MET 58 HE1 MET 58 10.474 -1.068 -4.182 459 HE2 MET 58 HE2 MET 58 8.901 -1.199 -4.945 460 HE3 MET 58 HE3 MET 58 10.050 -2.530 -5.083 461 H ALA 59 HN ALA 59 5.297 -6.533 -1.792 462 HA ALA 59 HA ALA 59 3.875 -5.633 0.407 463 HB1 ALA 59 HB1 ALA 59 2.891 -6.982 -1.397 464 HB2 ALA 59 HB2 ALA 59 2.549 -7.681 0.185 465 HB3 ALA 59 HB3 ALA 59 3.804 -8.384 -0.839 466 H GLN 60 HN GLN 60 6.196 -8.256 0.123 467 HA GLN 60 HA GLN 60 5.908 -9.099 2.818 468 HB2 GLN 60 HB2 GLN 60 8.201 -9.625 0.918 469 HB3 GLN 60 HB1 GLN 60 7.929 -10.461 2.441 470 HG2 GLN 60 HG2 GLN 60 5.720 -11.219 1.517 471 HG3 GLN 60 HG1 GLN 60 6.211 -10.529 -0.015 472 HE21 GLN 60 HE21 GLN 60 6.821 -13.091 2.274 473 HE22 GLN 60 HE22 GLN 60 7.748 -14.077 1.222 474 H LEU 61 HN LEU 61 8.080 -6.894 1.186 475 HA LEU 61 HA LEU 61 9.785 -6.362 3.350 476 HB2 LEU 61 HB2 LEU 61 9.184 -5.106 0.764 477 HB3 LEU 61 HB1 LEU 61 9.855 -3.969 1.886 478 HG LEU 61 HG LEU 61 11.866 -5.354 2.111 479 HD11 LEU 61 HD11 LEU 61 10.577 -7.172 0.084 480 HD12 LEU 61 HD12 LEU 61 10.899 -7.564 1.774 481 HD13 LEU 61 HD13 LEU 61 12.240 -7.279 0.665 482 HD21 LEU 61 HD21 LEU 61 12.717 -5.031 -0.148 483 HD22 LEU 61 HD22 LEU 61 11.768 -3.654 0.412 484 HD23 LEU 61 HD23 LEU 61 11.068 -4.802 -0.732 485 H LEU 62 HN LEU 62 6.895 -4.558 2.287 486 HA LEU 62 HA LEU 62 6.881 -2.752 4.380 487 HB2 LEU 62 HB2 LEU 62 4.671 -3.845 2.668 488 HB3 LEU 62 HB1 LEU 62 4.339 -2.722 3.946 489 HG LEU 62 HG LEU 62 5.406 -0.873 2.721 490 HD11 LEU 62 HD11 LEU 62 6.446 -2.899 0.828 491 HD12 LEU 62 HD12 LEU 62 7.372 -2.147 2.116 492 HD13 LEU 62 HD13 LEU 62 6.707 -1.140 0.806 493 HD21 LEU 62 HD21 LEU 62 4.190 -0.911 0.693 494 HD22 LEU 62 HD22 LEU 62 3.204 -1.658 1.955 495 HD23 LEU 62 HD23 LEU 62 4.026 -2.666 0.767 496 H ILE 63 HN ILE 63 5.333 -5.954 4.108 497 HA ILE 63 HA ILE 63 3.927 -5.825 6.534 498 HB ILE 63 HB ILE 63 3.786 -7.507 4.459 499 HG12 ILE 63 HG12 ILE 63 2.159 -7.284 6.260 500 HG13 ILE 63 HG11 ILE 63 2.286 -8.935 5.678 501 HG21 ILE 63 HG21 ILE 63 5.907 -8.630 4.838 502 HG22 ILE 63 HG22 ILE 63 4.555 -9.758 4.944 503 HG23 ILE 63 HG23 ILE 63 5.340 -9.180 6.417 504 HD11 ILE 63 HD11 ILE 63 3.437 -7.834 8.237 505 HD12 ILE 63 HD12 ILE 63 3.664 -9.485 7.660 506 HD13 ILE 63 HD13 ILE 63 2.047 -8.914 8.093 507 H THR 64 HN THR 64 7.225 -6.790 5.879 508 HA THR 64 HA THR 64 7.656 -8.044 8.409 509 HB THR 64 HB THR 64 9.698 -6.983 6.435 510 HG1 THR 64 HG1 THR 64 8.409 -8.516 5.460 511 HG21 THR 64 HG21 THR 64 9.972 -9.072 8.615 512 HG22 THR 64 HG22 THR 64 10.636 -7.441 8.681 513 HG23 THR 64 HG23 THR 64 11.236 -8.583 7.483 514 H HIS 65 HN HIS 65 8.030 -4.790 7.212 515 HA HIS 65 HA HIS 65 9.434 -4.074 9.667 516 HB2 HIS 65 HB2 HIS 65 9.042 -2.452 7.146 517 HB3 HIS 65 HB1 HIS 65 9.911 -1.907 8.581 518 HD1 HIS 65 HD1 HIS 65 12.301 -2.928 8.976 519 HD2 HIS 65 HD2 HIS 65 10.383 -4.271 5.544 520 HE1 HIS 65 HE1 HIS 65 14.038 -4.184 7.644 521 H PHE 66 HN PHE 66 6.728 -2.807 7.742 522 HA PHE 66 HA PHE 66 5.856 -1.087 9.818 523 HB2 PHE 66 HB2 PHE 66 4.511 -1.988 7.273 524 HB3 PHE 66 HB1 PHE 66 3.927 -0.692 8.321 525 HD1 PHE 66 HD1 PHE 66 5.237 1.335 8.584 526 HD2 PHE 66 HD2 PHE 66 6.300 -1.685 5.839 527 HE1 PHE 66 HE1 PHE 66 6.778 2.915 7.457 528 HE2 PHE 66 HE2 PHE 66 7.829 -0.139 4.684 529 HZ PHE 66 HZ PHE 66 8.077 2.144 5.497 530 H GLY 67 HN GLY 67 4.423 -4.054 8.484 531 HA2 GLY 67 HA3 GLY 67 3.682 -5.555 10.424 532 HA3 GLY 67 HA2 GLY 67 2.661 -4.172 10.828 533 HA PRO 68 HA PRO 68 0.715 -7.149 7.662 534 HB2 PRO 68 HB2 PRO 68 -1.641 -7.511 9.075 535 HB3 PRO 68 HB1 PRO 68 -0.263 -8.613 9.103 536 HG2 PRO 68 HG2 PRO 68 -1.060 -6.521 11.072 537 HG3 PRO 68 HG1 PRO 68 -0.331 -8.107 11.355 538 HD2 PRO 68 HD2 PRO 68 1.088 -5.800 11.485 539 HD3 PRO 68 HD1 PRO 68 1.811 -7.330 10.956 540 H GLU 69 HN GLU 69 -1.352 -4.968 9.576 541 HA GLU 69 HA GLU 69 -2.745 -4.243 7.134 542 HB2 GLU 69 HB3 GLU 69 -3.211 -3.315 9.981 543 HB3 GLU 69 HB2 GLU 69 -4.277 -3.045 8.614 544 HG2 GLU 69 HG3 GLU 69 -4.789 -5.359 8.437 545 HG3 GLU 69 HG2 GLU 69 -3.542 -5.784 9.608 546 H GLU 70 HN GLU 70 -0.330 -3.081 9.226 547 HA GLU 70 HA GLU 70 -0.297 -0.309 8.653 548 HB2 GLU 70 HB3 GLU 70 1.001 -1.696 10.400 549 HB3 GLU 70 HB2 GLU 70 2.142 -1.995 9.100 550 HG2 GLU 70 HG3 GLU 70 2.981 -0.180 10.341 551 HG3 GLU 70 HG2 GLU 70 2.327 0.496 8.845 552 H ALA 71 HN ALA 71 1.410 -3.055 7.169 553 HA ALA 71 HA ALA 71 2.748 -1.839 5.060 554 HB1 ALA 71 HB1 ALA 71 2.952 -4.194 5.677 555 HB2 ALA 71 HB2 ALA 71 2.568 -4.021 3.965 556 HB3 ALA 71 HB3 ALA 71 1.314 -4.496 5.113 557 H TRP 72 HN TRP 72 -0.552 -3.114 5.119 558 HA TRP 72 HA TRP 72 -1.225 -2.399 2.502 559 HB2 TRP 72 HB2 TRP 72 -2.585 -4.035 3.605 560 HB3 TRP 72 HB1 TRP 72 -2.938 -2.939 4.933 561 HD1 TRP 72 HD1 TRP 72 -5.472 -2.537 4.788 562 HE1 TRP 72 HE1 TRP 72 -7.099 -1.740 2.945 563 HE3 TRP 72 HE3 TRP 72 -2.283 -2.508 0.806 564 HZ2 TRP 72 HZ2 TRP 72 -7.022 -1.172 0.252 565 HZ3 TRP 72 HZ3 TRP 72 -3.162 -1.823 -1.407 566 HH2 TRP 72 HH2 TRP 72 -5.479 -1.173 -1.666 567 H ARG 73 HN ARG 73 -1.786 -0.746 5.529 568 HA ARG 73 HA ARG 73 -3.141 1.476 4.632 569 HB2 ARG 73 HB2 ARG 73 -2.951 0.940 6.947 570 HB3 ARG 73 HB1 ARG 73 -1.205 1.083 6.896 571 HG2 ARG 73 HG2 ARG 73 -1.486 3.518 6.518 572 HG3 ARG 73 HG1 ARG 73 -3.230 3.299 6.738 573 HD2 ARG 73 HD2 ARG 73 -2.858 2.354 8.935 574 HD3 ARG 73 HD1 ARG 73 -1.118 2.507 8.724 575 HE ARG 73 HE ARG 73 -2.550 4.966 8.468 576 HH11 ARG 73 HH11 ARG 73 -0.710 2.834 10.624 577 HH12 ARG 73 HH12 ARG 73 -0.673 3.936 11.917 578 HH21 ARG 73 HH21 ARG 73 -2.435 6.480 10.188 579 HH22 ARG 73 HH22 ARG 73 -1.673 6.064 11.672 580 H LEU 74 HN LEU 74 0.326 0.964 5.050 581 HA LEU 74 HA LEU 74 1.314 3.422 4.230 582 HB2 LEU 74 HB2 LEU 74 2.356 0.697 4.499 583 HB3 LEU 74 HB1 LEU 74 3.214 1.655 3.325 584 HG LEU 74 HG LEU 74 4.257 1.643 5.579 585 HD11 LEU 74 HD11 LEU 74 4.733 3.470 4.088 586 HD12 LEU 74 HD12 LEU 74 4.656 4.043 5.742 587 HD13 LEU 74 HD13 LEU 74 3.305 4.347 4.642 588 HD21 LEU 74 HD21 LEU 74 1.814 3.206 6.417 589 HD22 LEU 74 HD22 LEU 74 3.255 2.918 7.397 590 HD23 LEU 74 HD23 LEU 74 2.222 1.567 6.930 591 H ALA 75 HN ALA 75 0.576 0.557 2.271 592 HA ALA 75 HA ALA 75 1.548 1.701 -0.133 593 HB1 ALA 75 HB1 ALA 75 0.436 -0.085 -1.283 594 HB2 ALA 75 HB2 ALA 75 -0.438 -0.516 0.190 595 HB3 ALA 75 HB3 ALA 75 1.322 -0.686 0.114 596 H LEU 76 HN LEU 76 -1.754 1.422 1.185 597 HA LEU 76 HA LEU 76 -2.890 2.595 -1.104 598 HB2 LEU 76 HB2 LEU 76 -4.987 2.783 0.110 599 HB3 LEU 76 HB1 LEU 76 -4.253 1.231 0.407 600 HG LEU 76 HG LEU 76 -3.430 2.346 2.625 601 HD11 LEU 76 HD11 LEU 76 -4.984 3.987 3.539 602 HD12 LEU 76 HD12 LEU 76 -5.779 4.096 1.966 603 HD13 LEU 76 HD13 LEU 76 -4.101 4.613 2.145 604 HD21 LEU 76 HD21 LEU 76 -5.511 1.655 3.735 605 HD22 LEU 76 HD22 LEU 76 -4.921 0.489 2.555 606 HD23 LEU 76 HD23 LEU 76 -6.286 1.531 2.151 607 H SER 77 HN SER 77 -1.672 3.980 1.850 608 HA SER 77 HA SER 77 -2.549 6.589 1.170 609 HB2 SER 77 HB2 SER 77 -2.178 5.675 3.509 610 HB3 SER 77 HB1 SER 77 -0.456 5.831 3.212 611 HG SER 77 HG SER 77 -2.025 8.040 2.633 612 H THR 78 HN THR 78 -0.048 4.653 0.037 613 HA THR 78 HA THR 78 1.565 6.943 -0.685 614 HB THR 78 HB THR 78 1.975 3.998 -1.325 615 HG1 THR 78 HG1 THR 78 2.280 4.425 0.865 616 HG21 THR 78 HG21 THR 78 3.812 6.371 -1.692 617 HG22 THR 78 HG22 THR 78 3.066 5.432 -2.991 618 HG23 THR 78 HG23 THR 78 4.251 4.680 -1.912 619 H PHE 79 HN PHE 79 -0.742 4.682 -2.038 620 HA PHE 79 HA PHE 79 -0.432 5.155 -4.746 621 HB2 PHE 79 HB2 PHE 79 -2.994 4.619 -3.232 622 HB3 PHE 79 HB1 PHE 79 -2.869 4.560 -4.990 623 HD1 PHE 79 HD2 PHE 79 -0.069 3.164 -4.897 624 HD2 PHE 79 HD1 PHE 79 -3.787 2.433 -2.969 625 HE1 PHE 79 HE2 PHE 79 0.518 0.811 -4.680 626 HE2 PHE 79 HE1 PHE 79 -3.202 0.055 -2.736 627 HZ PHE 79 HZ PHE 79 -1.048 -0.765 -3.593 628 H GLU 80 HN GLU 80 -2.217 6.959 -2.327 629 HA GLU 80 HA GLU 80 -3.385 8.812 -4.113 630 HB2 GLU 80 HB3 GLU 80 -3.876 10.138 -2.063 631 HB3 GLU 80 HB2 GLU 80 -4.395 8.464 -1.959 632 HG2 GLU 80 HG3 GLU 80 -2.486 7.909 -0.617 633 HG3 GLU 80 HG2 GLU 80 -1.848 9.539 -0.795 634 H ARG 81 HN ARG 81 -0.300 8.796 -2.378 635 HA ARG 81 HA ARG 81 0.364 11.518 -2.970 636 HB2 ARG 81 HB2 ARG 81 1.902 9.193 -1.895 637 HB3 ARG 81 HB1 ARG 81 2.768 10.596 -2.474 638 HG2 ARG 81 HG2 ARG 81 2.465 10.605 -0.054 639 HG3 ARG 81 HG1 ARG 81 1.693 11.989 -0.824 640 HD2 ARG 81 HD2 ARG 81 -0.453 11.071 -0.491 641 HD3 ARG 81 HD1 ARG 81 0.216 9.488 -0.116 642 HE ARG 81 HE ARG 81 1.137 10.522 1.919 643 HH11 ARG 81 HH11 ARG 81 -1.551 12.244 0.395 644 HH12 ARG 81 HH12 ARG 81 -2.382 12.547 1.850 645 HH21 ARG 81 HH21 ARG 81 0.004 10.990 3.963 646 HH22 ARG 81 HH22 ARG 81 -1.462 11.848 3.914 647 H ILE 82 HN ILE 82 0.979 8.432 -4.518 648 HA ILE 82 HA ILE 82 2.747 9.686 -6.462 649 HB ILE 82 HB ILE 82 3.122 7.435 -7.371 650 HG12 ILE 82 HG12 ILE 82 1.308 6.401 -5.184 651 HG13 ILE 82 HG11 ILE 82 0.780 6.557 -6.868 652 HG21 ILE 82 HG21 ILE 82 4.205 6.457 -5.380 653 HG22 ILE 82 HG22 ILE 82 3.291 7.567 -4.360 654 HG23 ILE 82 HG23 ILE 82 4.481 8.195 -5.497 655 HD11 ILE 82 HD11 ILE 82 2.555 4.963 -7.483 656 HD12 ILE 82 HD12 ILE 82 1.398 4.291 -6.339 657 HD13 ILE 82 HD13 ILE 82 2.986 4.820 -5.781 658 H ASN 83 HN ASN 83 -0.187 10.049 -6.193 659 HA ASN 83 HA ASN 83 -2.040 10.424 -7.364 660 HB2 ASN 83 HB3 ASN 83 -0.423 11.987 -8.521 661 HB3 ASN 83 HB2 ASN 83 -0.269 10.782 -9.790 662 HD21 ASN 83 HD21 ASN 83 -2.032 10.427 -11.152 663 HD22 ASN 83 HD22 ASN 83 -3.378 11.509 -11.271 664 H ARG 84 HN ARG 84 -2.201 8.082 -6.947 665 HA ARG 84 HA ARG 84 -3.406 6.931 -9.345 666 HB2 ARG 84 HB2 ARG 84 -1.017 5.939 -8.527 667 HB3 ARG 84 HB1 ARG 84 -2.029 5.150 -7.338 668 HG2 ARG 84 HG2 ARG 84 -2.110 4.797 -10.341 669 HG3 ARG 84 HG1 ARG 84 -1.622 3.611 -9.138 670 HD2 ARG 84 HD2 ARG 84 -3.980 3.700 -8.280 671 HD3 ARG 84 HD1 ARG 84 -4.378 4.695 -9.672 672 HE ARG 84 HE ARG 84 -3.507 1.884 -9.767 673 HH11 ARG 84 HH11 ARG 84 -5.147 4.619 -11.368 674 HH12 ARG 84 HH12 ARG 84 -5.757 3.644 -12.629 675 HH21 ARG 84 HH21 ARG 84 -4.492 0.569 -11.476 676 HH22 ARG 84 HH22 ARG 84 -5.383 1.346 -12.684 677 H LYS 85 HN LYS 85 -4.926 8.402 -7.788 678 HA LYS 85 HA LYS 85 -5.417 7.513 -5.198 679 HB2 LYS 85 HB2 LYS 85 -6.805 9.314 -5.048 680 HB3 LYS 85 HB1 LYS 85 -5.801 9.823 -6.362 681 HG2 LYS 85 HG2 LYS 85 -8.526 8.564 -6.780 682 HG3 LYS 85 HG1 LYS 85 -8.257 10.298 -6.683 683 HD2 LYS 85 HD2 LYS 85 -6.838 10.189 -8.672 684 HD3 LYS 85 HD1 LYS 85 -7.030 8.435 -8.707 685 HE2 LYS 85 HE2 LYS 85 -9.373 10.323 -8.879 686 HE3 LYS 85 HE1 LYS 85 -8.498 9.793 -10.308 687 HZ1 LYS 85 HZ1 LYS 85 -9.085 7.522 -9.800 688 HZ2 LYS 85 HZ2 LYS 85 -10.463 8.470 -9.895 689 HZ3 LYS 85 HZ3 LYS 85 -9.922 7.970 -8.389 690 H ASP 86 HN ASP 86 -6.301 6.530 -8.225 691 HA ASP 86 HA ASP 86 -8.894 5.708 -8.093 692 HB2 ASP 86 HB2 ASP 86 -6.803 4.055 -9.481 693 HB3 ASP 86 HB1 ASP 86 -8.439 4.426 -10.008 694 H LEU 87 HN LEU 87 -5.885 4.062 -7.431 695 HA LEU 87 HA LEU 87 -7.092 1.588 -6.650 696 HB2 LEU 87 HB2 LEU 87 -4.893 1.907 -7.850 697 HB3 LEU 87 HB1 LEU 87 -4.244 2.503 -6.333 698 HG LEU 87 HG LEU 87 -4.567 0.333 -5.336 699 HD11 LEU 87 HD11 LEU 87 -6.513 -0.404 -6.699 700 HD12 LEU 87 HD12 LEU 87 -5.200 -1.576 -6.764 701 HD13 LEU 87 HD13 LEU 87 -5.464 -0.475 -8.116 702 HD21 LEU 87 HD21 LEU 87 -2.845 -0.820 -6.633 703 HD22 LEU 87 HD22 LEU 87 -2.480 0.895 -6.424 704 HD23 LEU 87 HD23 LEU 87 -3.104 0.308 -7.964 705 H TRP 88 HN TRP 88 -6.093 4.506 -5.168 706 HA TRP 88 HA TRP 88 -5.851 3.614 -2.471 707 HB2 TRP 88 HB2 TRP 88 -4.774 5.672 -2.993 708 HB3 TRP 88 HB1 TRP 88 -6.200 6.294 -3.801 709 HD1 TRP 88 HD1 TRP 88 -5.090 5.413 -0.195 710 HE1 TRP 88 HE1 TRP 88 -6.221 7.084 1.387 711 HE3 TRP 88 HE3 TRP 88 -7.876 7.979 -3.613 712 HZ2 TRP 88 HZ2 TRP 88 -8.062 9.224 1.211 713 HZ3 TRP 88 HZ3 TRP 88 -9.295 9.824 -2.830 714 HH2 TRP 88 HH2 TRP 88 -9.384 10.434 -0.471 715 H GLU 89 HN GLU 89 -8.423 5.110 -4.391 716 HA GLU 89 HA GLU 89 -10.500 5.074 -2.482 717 HB2 GLU 89 HB3 GLU 89 -10.642 4.740 -5.477 718 HB3 GLU 89 HB2 GLU 89 -11.996 5.134 -4.437 719 HG2 GLU 89 HG3 GLU 89 -11.051 7.288 -3.949 720 HG3 GLU 89 HG2 GLU 89 -9.571 6.873 -4.819 721 H ARG 90 HN ARG 90 -9.380 2.816 -4.900 722 HA ARG 90 HA ARG 90 -11.247 0.721 -4.548 723 HB2 ARG 90 HB2 ARG 90 -8.398 0.665 -5.515 724 HB3 ARG 90 HB1 ARG 90 -9.481 -0.705 -5.583 725 HG2 ARG 90 HG2 ARG 90 -10.214 1.877 -6.905 726 HG3 ARG 90 HG1 ARG 90 -9.144 0.721 -7.697 727 HD2 ARG 90 HD2 ARG 90 -11.420 0.407 -8.415 728 HD3 ARG 90 HD1 ARG 90 -10.807 -0.971 -7.492 729 HE ARG 90 HE ARG 90 -12.356 0.974 -5.998 730 HH11 ARG 90 HH11 ARG 90 -12.471 -2.053 -7.822 731 HH12 ARG 90 HH12 ARG 90 -13.842 -2.665 -7.027 732 HH21 ARG 90 HH21 ARG 90 -14.222 0.130 -4.853 733 HH22 ARG 90 HH22 ARG 90 -14.890 -1.367 -5.310 734 H GLY 91 HN GLY 91 -8.601 1.771 -2.693 735 HA2 GLY 91 HA3 GLY 91 -7.858 -0.707 -1.535 736 HA3 GLY 91 HA2 GLY 91 -7.375 0.894 -1.006 737 H GLN 92 HN GLN 92 -8.264 1.740 0.737 738 HA GLN 92 HA GLN 92 -9.353 1.914 2.692 739 HB2 GLN 92 HB2 GLN 92 -11.607 0.598 1.160 740 HB3 GLN 92 HB1 GLN 92 -11.780 1.356 2.734 741 HG2 GLN 92 HG2 GLN 92 -11.194 3.507 1.803 742 HG3 GLN 92 HG1 GLN 92 -10.890 2.771 0.230 743 HE21 GLN 92 HE21 GLN 92 -12.759 4.863 1.008 744 HE22 GLN 92 HE22 GLN 92 -14.323 4.297 0.546 745 H ARG 93 HN ARG 93 -10.732 0.563 4.332 746 HA ARG 93 HA ARG 93 -10.257 -2.276 4.223 747 HB2 ARG 93 HB2 ARG 93 -9.260 -2.224 6.586 748 HB3 ARG 93 HB1 ARG 93 -8.212 -1.758 5.257 749 HG2 ARG 93 HG2 ARG 93 -8.593 0.598 5.786 750 HG3 ARG 93 HG1 ARG 93 -9.648 0.110 7.114 751 HD2 ARG 93 HD2 ARG 93 -7.877 -0.892 8.274 752 HD3 ARG 93 HD1 ARG 93 -6.800 -0.753 6.873 753 HE ARG 93 HE ARG 93 -7.406 1.780 7.321 754 HH11 ARG 93 HH11 ARG 93 -6.424 -0.674 9.706 755 HH12 ARG 93 HH12 ARG 93 -5.553 0.399 10.677 756 HH21 ARG 93 HH21 ARG 93 -6.171 3.259 8.681 757 HH22 ARG 93 HH22 ARG 93 -5.392 2.683 10.080 758 H GLU 94 HN GLU 94 -11.545 0.508 5.974 759 HA GLU 94 HA GLU 94 -13.356 0.868 7.213 760 HB2 GLU 94 HB3 GLU 94 -14.506 -1.366 5.538 761 HB3 GLU 94 HB2 GLU 94 -15.442 -0.181 6.441 762 HG2 GLU 94 HG3 GLU 94 -14.516 1.613 5.060 763 HG3 GLU 94 HG2 GLU 94 -13.587 0.425 4.151 764 H ASP 95 HN ASP 95 -11.580 -0.494 8.517 765 HA ASP 95 HA ASP 95 -12.515 -2.983 9.566 766 HB2 ASP 95 HB2 ASP 95 -10.463 -2.929 10.881 767 HB3 ASP 95 HB1 ASP 95 -10.124 -2.562 9.196 768 H LEU 96 HN LEU 96 -12.556 -3.262 11.933 769 HA LEU 96 HA LEU 96 -14.437 -1.351 13.045 770 HB2 LEU 96 HB2 LEU 96 -14.907 -3.762 13.080 771 HB3 LEU 96 HB1 LEU 96 -13.447 -4.037 13.999 772 HG LEU 96 HG LEU 96 -14.442 -2.692 15.858 773 HD11 LEU 96 HD11 LEU 96 -16.843 -2.298 15.849 774 HD12 LEU 96 HD12 LEU 96 -16.929 -2.871 14.183 775 HD13 LEU 96 HD13 LEU 96 -16.033 -1.403 14.562 776 HD21 LEU 96 HD21 LEU 96 -14.485 -5.129 15.893 777 HD22 LEU 96 HD22 LEU 96 -15.987 -5.126 14.968 778 HD23 LEU 96 HD23 LEU 96 -15.956 -4.467 16.605 779 H VAL 97 HN VAL 97 -14.023 -0.166 14.963 780 HA VAL 97 HA VAL 97 -11.292 0.115 15.705 781 HB VAL 97 HB VAL 97 -13.772 1.154 17.154 782 HG11 VAL 97 HG11 VAL 97 -12.205 2.666 18.309 783 HG12 VAL 97 HG12 VAL 97 -10.859 1.861 17.492 784 HG13 VAL 97 HG13 VAL 97 -11.840 0.968 18.640 785 HG21 VAL 97 HG21 VAL 97 -11.860 2.546 15.276 786 HG22 VAL 97 HG22 VAL 97 -13.201 3.314 16.131 787 HG23 VAL 97 HG23 VAL 97 -13.521 2.092 14.899 788 H ARG 98 HN ARG 98 -10.294 -1.235 16.821 789 HA ARG 98 HA ARG 98 -11.636 -3.489 17.856 790 HB2 ARG 98 HB2 ARG 98 -8.745 -2.776 17.629 791 HB3 ARG 98 HB1 ARG 98 -9.354 -4.327 18.223 792 HG2 ARG 98 HG2 ARG 98 -10.471 -4.747 16.160 793 HG3 ARG 98 HG1 ARG 98 -10.039 -3.155 15.560 794 HD2 ARG 98 HD2 ARG 98 -7.747 -3.711 15.574 795 HD3 ARG 98 HD1 ARG 98 -8.080 -5.289 16.311 796 HE ARG 98 HE ARG 98 -9.531 -5.583 14.216 797 HH11 ARG 98 HH11 ARG 98 -6.434 -3.887 14.276 798 HH12 ARG 98 HH12 ARG 98 -6.026 -4.368 12.677 799 HH21 ARG 98 HH21 ARG 98 -8.970 -6.150 12.047 800 HH22 ARG 98 HH22 ARG 98 -7.496 -5.563 11.381 801 H ASP 99 HN ASP 99 -11.582 -4.369 19.750 802 HA ASP 99 HA ASP 99 -10.660 -3.732 22.196 803 HB2 ASP 99 HB2 ASP 99 -11.587 -1.440 22.018 804 HB3 ASP 99 HB1 ASP 99 -13.181 -2.109 21.685 805 H THR 100 HN THR 100 -13.683 -4.162 20.476 806 HA THR 100 HA THR 100 -14.922 -5.685 22.523 807 HB THR 100 HB THR 100 -15.870 -5.402 19.678 808 HG1 THR 100 HG1 THR 100 -16.043 -3.617 21.902 809 HG21 THR 100 HG21 THR 100 -18.088 -5.533 20.742 810 HG22 THR 100 HG22 THR 100 -17.326 -5.670 22.324 811 HG23 THR 100 HG23 THR 100 -17.130 -6.960 21.138 812 H VAL 101 HN VAL 101 -14.700 -6.851 19.123 813 HA VAL 101 HA VAL 101 -14.441 -9.502 20.294 814 HB VAL 101 HB VAL 101 -15.073 -10.404 18.068 815 HG11 VAL 101 HG11 VAL 101 -16.817 -9.972 19.700 816 HG12 VAL 101 HG12 VAL 101 -17.404 -9.648 18.071 817 HG13 VAL 101 HG13 VAL 101 -16.962 -8.308 19.129 818 HG21 VAL 101 HG21 VAL 101 -15.934 -8.841 16.345 819 HG22 VAL 101 HG22 VAL 101 -14.202 -8.710 16.609 820 HG23 VAL 101 HG23 VAL 101 -15.288 -7.490 17.286 821 H GLU 102 HN GLU 102 -12.514 -7.176 19.008 822 HA GLU 102 HA GLU 102 -10.237 -8.735 18.985 823 HB2 GLU 102 HB3 GLU 102 -9.589 -7.944 16.634 824 HB3 GLU 102 HB2 GLU 102 -10.765 -9.244 16.663 825 HG2 GLU 102 HG3 GLU 102 -12.549 -7.717 16.160 826 HG3 GLU 102 HG2 GLU 102 -11.486 -6.334 16.307
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