NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26469 | 2kku | 16372 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 0.203 0.883 -1.037 2 HA MET 1 HA MET 1 2.568 -0.863 -1.361 3 HB2 MET 1 HB2 MET 1 0.613 -1.124 -2.996 4 HB3 MET 1 HB3 MET 1 0.918 0.519 -3.508 5 HG2 MET 1 HG2 MET 1 3.199 -0.192 -4.244 6 HG3 MET 1 HG3 MET 1 2.764 -1.854 -3.840 7 HE1 MET 1 HE1 MET 1 -0.478 -1.580 -4.787 8 HE2 MET 1 HE2 MET 1 0.510 -3.031 -4.973 9 HE3 MET 1 HE3 MET 1 -0.320 -2.341 -6.370 10 H SER 2 H SER 2 4.281 0.309 -2.662 11 HA SER 2 HA SER 2 5.095 2.714 -1.434 12 HB2 SER 2 HB2 SER 2 6.674 1.029 -2.358 13 HB3 SER 2 HB3 SER 2 6.150 1.425 -3.992 14 HG SER 2 HG SER 2 6.877 3.696 -2.786 15 H LYS 3 H LYS 3 2.992 2.230 -4.127 16 HA LYS 3 HA LYS 3 3.335 4.610 -5.585 17 HB2 LYS 3 HB2 LYS 3 1.001 4.282 -6.371 18 HB3 LYS 3 HB3 LYS 3 1.945 2.802 -6.466 19 HG2 LYS 3 HG2 LYS 3 0.852 1.896 -4.502 20 HG3 LYS 3 HG3 LYS 3 0.009 3.419 -4.203 21 HD2 LYS 3 HD2 LYS 3 -0.392 1.685 -6.680 22 HD3 LYS 3 HD3 LYS 3 -1.421 1.631 -5.246 23 HE2 LYS 3 HE2 LYS 3 -2.055 3.987 -5.594 24 HE3 LYS 3 HE3 LYS 3 -0.998 4.078 -7.007 25 HZ1 LYS 3 HZ1 LYS 3 -2.368 2.419 -8.091 26 HZ2 LYS 3 HZ2 LYS 3 -3.303 3.744 -7.619 27 HZ3 LYS 3 HZ3 LYS 3 -3.365 2.306 -6.730 28 H ILE 4 H ILE 4 1.930 4.047 -2.453 29 HA ILE 4 HA ILE 4 0.829 5.262 -0.907 30 HB ILE 4 HB ILE 4 1.843 7.760 -2.368 31 HG12 ILE 4 HG12 ILE 4 3.748 6.234 -1.976 32 HG13 ILE 4 HG13 ILE 4 3.882 7.649 -0.941 33 HG21 ILE 4 HG21 ILE 4 1.123 7.382 0.570 34 HG22 ILE 4 HG22 ILE 4 0.275 8.389 -0.605 35 HG23 ILE 4 HG23 ILE 4 1.903 8.824 -0.097 36 HD11 ILE 4 HD11 ILE 4 2.953 4.900 -0.102 37 HD12 ILE 4 HD12 ILE 4 3.053 6.310 0.957 38 HD13 ILE 4 HD13 ILE 4 4.517 5.637 0.241 39 H VAL 5 H VAL 5 -1.040 7.273 -0.912 40 HA VAL 5 HA VAL 5 -1.985 7.864 -3.615 41 HB VAL 5 HB VAL 5 -4.441 7.966 -2.703 42 HG11 VAL 5 HG11 VAL 5 -4.961 5.679 -3.438 43 HG12 VAL 5 HG12 VAL 5 -3.251 5.241 -3.326 44 HG13 VAL 5 HG13 VAL 5 -3.780 6.441 -4.508 45 HG21 VAL 5 HG21 VAL 5 -3.363 5.888 -0.771 46 HG22 VAL 5 HG22 VAL 5 -5.066 6.294 -1.008 47 HG23 VAL 5 HG23 VAL 5 -3.957 7.492 -0.336 48 H GLY 6 H GLY 6 -2.101 8.560 -0.131 49 HA2 GLY 6 HA2 GLY 6 -1.370 11.294 -0.520 50 HA3 GLY 6 HA3 GLY 6 -3.069 11.114 -0.090 51 H VAL 7 H VAL 7 -2.434 12.387 1.748 52 HA VAL 7 HA VAL 7 -1.543 10.702 4.009 53 HB VAL 7 HB VAL 7 0.205 12.444 3.377 54 HG11 VAL 7 HG11 VAL 7 -1.857 14.473 4.310 55 HG12 VAL 7 HG12 VAL 7 -1.286 14.261 2.654 56 HG13 VAL 7 HG13 VAL 7 -0.172 14.815 3.904 57 HG21 VAL 7 HG21 VAL 7 0.653 13.212 5.693 58 HG22 VAL 7 HG22 VAL 7 0.169 11.515 5.656 59 HG23 VAL 7 HG23 VAL 7 -0.987 12.749 6.165 60 H THR 8 H THR 8 -2.601 11.265 6.036 61 HA THR 8 HA THR 8 -5.051 12.868 5.795 62 HB THR 8 HB THR 8 -5.850 10.602 5.772 63 HG1 THR 8 HG1 THR 8 -7.063 11.959 7.099 64 HG21 THR 8 HG21 THR 8 -4.195 10.061 8.262 65 HG22 THR 8 HG22 THR 8 -3.901 9.402 6.651 66 HG23 THR 8 HG23 THR 8 -5.356 8.945 7.538 67 H TYR 9 H TYR 9 -5.442 14.262 7.389 68 HA TYR 9 HA TYR 9 -3.808 14.206 9.846 69 HB2 TYR 9 HB2 TYR 9 -3.985 16.444 7.840 70 HB3 TYR 9 HB3 TYR 9 -3.973 16.901 9.534 71 HD1 TYR 9 HD1 TYR 9 -1.967 15.316 6.827 72 HD2 TYR 9 HD2 TYR 9 -1.961 16.711 10.869 73 HE1 TYR 9 HE1 TYR 9 0.488 15.176 6.880 74 HE2 TYR 9 HE2 TYR 9 0.487 16.574 10.915 75 HH TYR 9 HH TYR 9 2.264 15.170 9.637 76 HA PRO 10 HA PRO 10 -7.812 14.964 11.804 77 HB2 PRO 10 HB2 PRO 10 -6.921 15.568 14.318 78 HB3 PRO 10 HB3 PRO 10 -6.895 13.919 13.683 79 HG2 PRO 10 HG2 PRO 10 -4.641 15.925 13.810 80 HG3 PRO 10 HG3 PRO 10 -4.626 14.205 14.250 81 HD2 PRO 10 HD2 PRO 10 -3.690 15.111 11.867 82 HD3 PRO 10 HD3 PRO 10 -4.461 13.517 12.033 83 H ILE 11 H ILE 11 -5.156 17.219 11.709 84 HA ILE 11 HA ILE 11 -4.857 19.425 11.693 85 HB ILE 11 HB ILE 11 -7.860 19.585 11.167 86 HG12 ILE 11 HG12 ILE 11 -5.485 19.700 9.251 87 HG13 ILE 11 HG13 ILE 11 -6.543 18.313 9.470 88 HG21 ILE 11 HG21 ILE 11 -5.787 21.794 10.831 89 HG22 ILE 11 HG22 ILE 11 -7.073 21.756 12.040 90 HG23 ILE 11 HG23 ILE 11 -7.482 21.885 10.329 91 HD11 ILE 11 HD11 ILE 11 -7.338 20.992 8.344 92 HD12 ILE 11 HD12 ILE 11 -8.408 19.604 8.573 93 HD13 ILE 11 HD13 ILE 11 -7.057 19.498 7.448 94 HA PRO 12 HA PRO 12 -5.089 19.680 16.123 95 HB2 PRO 12 HB2 PRO 12 -3.741 22.051 16.564 96 HB3 PRO 12 HB3 PRO 12 -2.939 20.544 16.092 97 HG2 PRO 12 HG2 PRO 12 -3.827 22.844 14.335 98 HG3 PRO 12 HG3 PRO 12 -2.256 22.009 14.363 99 HD2 PRO 12 HD2 PRO 12 -4.081 21.383 12.507 100 HD3 PRO 12 HD3 PRO 12 -3.108 20.102 13.265 101 H LYS 13 H LYS 13 -6.597 22.097 14.163 102 HA LYS 13 HA LYS 13 -8.315 22.986 16.404 103 HB2 LYS 13 HB2 LYS 13 -7.060 24.767 14.268 104 HB3 LYS 13 HB3 LYS 13 -8.358 25.286 15.341 105 HG2 LYS 13 HG2 LYS 13 -6.811 24.772 17.293 106 HG3 LYS 13 HG3 LYS 13 -5.523 24.525 16.109 107 HD2 LYS 13 HD2 LYS 13 -5.756 26.858 15.347 108 HD3 LYS 13 HD3 LYS 13 -7.096 27.109 16.470 109 HE2 LYS 13 HE2 LYS 13 -5.509 26.613 18.365 110 HE3 LYS 13 HE3 LYS 13 -4.195 26.553 17.188 111 HZ1 LYS 13 HZ1 LYS 13 -5.942 28.894 17.699 112 HZ2 LYS 13 HZ2 LYS 13 -4.660 28.842 16.608 113 HZ3 LYS 13 HZ3 LYS 13 -4.362 28.711 18.271 114 H ARG 14 H ARG 14 -10.153 24.481 15.176 115 HA ARG 14 HA ARG 14 -11.793 22.502 13.879 116 HB2 ARG 14 HB2 ARG 14 -12.346 25.445 14.439 117 HB3 ARG 14 HB3 ARG 14 -13.555 24.244 13.996 118 HG2 ARG 14 HG2 ARG 14 -11.910 24.244 16.559 119 HG3 ARG 14 HG3 ARG 14 -13.592 24.767 16.410 120 HD2 ARG 14 HD2 ARG 14 -12.563 21.956 15.880 121 HD3 ARG 14 HD3 ARG 14 -13.413 22.484 17.337 122 HE ARG 14 HE ARG 14 -14.872 22.981 14.893 123 HH11 ARG 14 HH11 ARG 14 -14.252 20.546 17.360 124 HH12 ARG 14 HH12 ARG 14 -15.747 19.721 17.071 125 HH21 ARG 14 HH21 ARG 14 -16.813 21.862 14.528 126 HH22 ARG 14 HH22 ARG 14 -17.189 20.462 15.478 127 H PHE 15 H PHE 15 -9.411 24.136 12.473 128 HA PHE 15 HA PHE 15 -10.671 25.435 10.242 129 HB2 PHE 15 HB2 PHE 15 -7.762 24.799 10.859 130 HB3 PHE 15 HB3 PHE 15 -8.289 25.753 9.475 131 HD1 PHE 15 HD1 PHE 15 -10.096 27.692 10.249 132 HD2 PHE 15 HD2 PHE 15 -6.939 26.098 12.653 133 HE1 PHE 15 HE1 PHE 15 -10.089 29.739 11.603 134 HE2 PHE 15 HE2 PHE 15 -6.947 28.156 14.004 135 HZ PHE 15 HZ PHE 15 -8.520 29.974 13.480 136 H MET 16 H MET 16 -10.609 22.240 10.732 137 HA MET 16 HA MET 16 -9.922 21.150 8.228 138 HB2 MET 16 HB2 MET 16 -11.524 19.344 8.755 139 HB3 MET 16 HB3 MET 16 -10.526 19.735 10.146 140 HG2 MET 16 HG2 MET 16 -12.372 20.970 11.171 141 HG3 MET 16 HG3 MET 16 -13.378 20.685 9.749 142 HE1 MET 16 HE1 MET 16 -15.341 19.713 11.277 143 HE2 MET 16 HE2 MET 16 -14.365 20.010 12.717 144 HE3 MET 16 HE3 MET 16 -15.106 18.430 12.464 145 H ASP 17 H ASP 17 -12.614 23.099 9.279 146 HA ASP 17 HA ASP 17 -14.499 22.496 7.233 147 HB2 ASP 17 HB2 ASP 17 -15.892 24.096 8.255 148 HB3 ASP 17 HB3 ASP 17 -14.904 23.538 9.597 149 H ARG 18 H ARG 18 -11.820 24.682 7.448 150 HA ARG 18 HA ARG 18 -12.432 26.756 5.705 151 HB2 ARG 18 HB2 ARG 18 -9.748 25.365 6.127 152 HB3 ARG 18 HB3 ARG 18 -9.949 26.922 5.326 153 HG2 ARG 18 HG2 ARG 18 -10.652 26.346 8.220 154 HG3 ARG 18 HG3 ARG 18 -9.169 27.118 7.659 155 HD2 ARG 18 HD2 ARG 18 -10.536 28.910 8.333 156 HD3 ARG 18 HD3 ARG 18 -10.695 28.881 6.575 157 HE ARG 18 HE ARG 18 -12.744 27.429 8.048 158 HH11 ARG 18 HH11 ARG 18 -11.875 30.499 6.551 159 HH12 ARG 18 HH12 ARG 18 -13.519 31.033 6.448 160 HH21 ARG 18 HH21 ARG 18 -14.881 28.174 7.884 161 HH22 ARG 18 HH22 ARG 18 -15.205 29.731 7.205 162 H PHE 19 H PHE 19 -10.970 23.647 4.985 163 HA PHE 19 HA PHE 19 -10.471 24.042 2.233 164 HB2 PHE 19 HB2 PHE 19 -10.878 21.425 3.749 165 HB3 PHE 19 HB3 PHE 19 -10.103 21.585 2.182 166 HD1 PHE 19 HD1 PHE 19 -9.733 22.399 5.805 167 HD2 PHE 19 HD2 PHE 19 -7.772 22.118 2.017 168 HE1 PHE 19 HE1 PHE 19 -7.552 22.654 6.906 169 HE2 PHE 19 HE2 PHE 19 -5.597 22.366 3.131 170 HZ PHE 19 HZ PHE 19 -5.488 22.641 5.570 171 H PHE 20 H PHE 20 -13.300 22.920 4.008 172 HA PHE 20 HA PHE 20 -14.730 21.940 1.659 173 HB2 PHE 20 HB2 PHE 20 -15.779 22.332 4.499 174 HB3 PHE 20 HB3 PHE 20 -16.508 21.348 3.235 175 HD1 PHE 20 HD1 PHE 20 -14.543 19.631 2.193 176 HD2 PHE 20 HD2 PHE 20 -14.873 21.030 6.213 177 HE1 PHE 20 HE1 PHE 20 -13.326 17.656 2.984 178 HE2 PHE 20 HE2 PHE 20 -13.644 19.052 6.994 179 HZ PHE 20 HZ PHE 20 -12.867 17.364 5.383 180 H LYS 21 H LYS 21 -14.471 24.811 3.558 181 HA LYS 21 HA LYS 21 -16.939 26.093 2.962 182 HB2 LYS 21 HB2 LYS 21 -15.710 26.686 4.952 183 HB3 LYS 21 HB3 LYS 21 -14.254 27.042 4.045 184 HG2 LYS 21 HG2 LYS 21 -16.689 28.745 3.561 185 HG3 LYS 21 HG3 LYS 21 -15.794 28.964 5.068 186 HD2 LYS 21 HD2 LYS 21 -13.719 29.394 3.750 187 HD3 LYS 21 HD3 LYS 21 -14.640 29.222 2.255 188 HE2 LYS 21 HE2 LYS 21 -15.059 31.355 4.379 189 HE3 LYS 21 HE3 LYS 21 -14.308 31.591 2.801 190 HZ1 LYS 21 HZ1 LYS 21 -16.596 32.322 2.791 191 HZ2 LYS 21 HZ2 LYS 21 -17.133 30.795 3.279 192 HZ3 LYS 21 HZ3 LYS 21 -16.412 30.997 1.762 193 H LYS 22 H LYS 22 -13.631 26.435 1.654 194 HA LYS 22 HA LYS 22 -14.610 28.273 -0.452 195 HB2 LYS 22 HB2 LYS 22 -12.212 28.869 -0.710 196 HB3 LYS 22 HB3 LYS 22 -12.803 29.116 0.931 197 HG2 LYS 22 HG2 LYS 22 -11.808 26.787 1.448 198 HG3 LYS 22 HG3 LYS 22 -10.977 26.930 -0.098 199 HD2 LYS 22 HD2 LYS 22 -9.492 27.612 1.690 200 HD3 LYS 22 HD3 LYS 22 -9.892 29.018 0.707 201 HE2 LYS 22 HE2 LYS 22 -11.485 29.768 2.428 202 HE3 LYS 22 HE3 LYS 22 -11.154 28.319 3.387 203 HZ1 LYS 22 HZ1 LYS 22 -9.904 30.212 4.191 204 HZ2 LYS 22 HZ2 LYS 22 -9.173 30.417 2.682 205 HZ3 LYS 22 HZ3 LYS 22 -8.859 29.023 3.593 206 H GLY 23 H GLY 23 -13.550 25.014 -0.058 207 HA2 GLY 23 HA2 GLY 23 -13.566 23.294 -1.601 208 HA3 GLY 23 HA3 GLY 23 -13.904 24.449 -2.878 209 H LYS 24 H LYS 24 -11.306 25.796 -1.536 210 HA LYS 24 HA LYS 24 -9.159 24.055 -2.348 211 HB2 LYS 24 HB2 LYS 24 -9.857 24.978 -4.550 212 HB3 LYS 24 HB3 LYS 24 -9.655 26.617 -3.935 213 HG2 LYS 24 HG2 LYS 24 -7.257 26.298 -3.708 214 HG3 LYS 24 HG3 LYS 24 -7.402 24.587 -4.125 215 HD2 LYS 24 HD2 LYS 24 -8.197 25.250 -6.405 216 HD3 LYS 24 HD3 LYS 24 -7.959 26.947 -5.970 217 HE2 LYS 24 HE2 LYS 24 -5.549 26.528 -5.648 218 HE3 LYS 24 HE3 LYS 24 -5.778 24.825 -6.053 219 HZ1 LYS 24 HZ1 LYS 24 -6.543 25.555 -8.261 220 HZ2 LYS 24 HZ2 LYS 24 -4.945 25.997 -7.942 221 HZ3 LYS 24 HZ3 LYS 24 -6.178 27.153 -7.852 222 H ASP 25 H ASP 25 -7.912 24.309 -0.623 223 HA ASP 25 HA ASP 25 -7.375 26.995 0.534 224 HB2 ASP 25 HB2 ASP 25 -9.073 25.682 1.853 225 HB3 ASP 25 HB3 ASP 25 -7.900 24.397 2.050 226 H VAL 26 H VAL 26 -5.376 26.545 2.249 227 HA VAL 26 HA VAL 26 -3.299 24.930 0.898 228 HB VAL 26 HB VAL 26 -2.946 27.798 1.906 229 HG11 VAL 26 HG11 VAL 26 -0.618 27.646 1.044 230 HG12 VAL 26 HG12 VAL 26 -0.874 25.937 0.677 231 HG13 VAL 26 HG13 VAL 26 -0.917 26.496 2.351 232 HG21 VAL 26 HG21 VAL 26 -2.847 26.726 -0.940 233 HG22 VAL 26 HG22 VAL 26 -2.490 28.389 -0.460 234 HG23 VAL 26 HG23 VAL 26 -4.119 27.740 -0.251 235 H PHE 27 H PHE 27 -2.677 23.429 2.359 236 HA PHE 27 HA PHE 27 -2.836 23.956 5.253 237 HB2 PHE 27 HB2 PHE 27 -3.813 21.823 4.319 238 HB3 PHE 27 HB3 PHE 27 -2.202 21.334 3.819 239 HD1 PHE 27 HD1 PHE 27 -4.414 21.901 6.729 240 HD2 PHE 27 HD2 PHE 27 -0.603 20.452 5.450 241 HE1 PHE 27 HE1 PHE 27 -4.071 20.869 8.926 242 HE2 PHE 27 HE2 PHE 27 -0.277 19.410 7.652 243 HZ PHE 27 HZ PHE 27 -2.002 19.619 9.392 244 H VAL 28 H VAL 28 -1.053 24.778 6.208 245 HA VAL 28 HA VAL 28 1.604 24.359 5.023 246 HB VAL 28 HB VAL 28 2.380 26.125 6.643 247 HG11 VAL 28 HG11 VAL 28 1.794 26.744 4.354 248 HG12 VAL 28 HG12 VAL 28 1.303 28.027 5.462 249 HG13 VAL 28 HG13 VAL 28 0.092 26.923 4.801 250 HG21 VAL 28 HG21 VAL 28 0.694 25.826 8.409 251 HG22 VAL 28 HG22 VAL 28 -0.587 26.372 7.317 252 HG23 VAL 28 HG23 VAL 28 0.682 27.495 7.832 253 H LYS 29 H LYS 29 3.340 23.579 6.149 254 HA LYS 29 HA LYS 29 2.985 22.182 8.706 255 HB2 LYS 29 HB2 LYS 29 3.938 21.004 6.073 256 HB3 LYS 29 HB3 LYS 29 4.527 20.334 7.587 257 HG2 LYS 29 HG2 LYS 29 1.554 20.553 7.101 258 HG3 LYS 29 HG3 LYS 29 2.482 19.254 6.355 259 HD2 LYS 29 HD2 LYS 29 1.578 18.365 8.380 260 HD3 LYS 29 HD3 LYS 29 3.296 18.611 8.664 261 HE2 LYS 29 HE2 LYS 29 2.648 20.805 9.810 262 HE3 LYS 29 HE3 LYS 29 0.975 20.254 9.721 263 HZ1 LYS 29 HZ1 LYS 29 3.210 18.852 11.073 264 HZ2 LYS 29 HZ2 LYS 29 1.610 18.313 11.011 265 HZ3 LYS 29 HZ3 LYS 29 1.992 19.736 11.841 266 HA PRO 30 HA PRO 30 7.142 24.088 9.273 267 HB2 PRO 30 HB2 PRO 30 7.454 23.507 11.906 268 HB3 PRO 30 HB3 PRO 30 6.356 24.783 11.366 269 HG2 PRO 30 HG2 PRO 30 5.713 21.949 12.176 270 HG3 PRO 30 HG3 PRO 30 4.892 23.457 12.635 271 HD2 PRO 30 HD2 PRO 30 3.970 21.818 10.638 272 HD3 PRO 30 HD3 PRO 30 3.709 23.575 10.644 273 H ALA 31 H ALA 31 7.230 21.852 7.798 274 HA ALA 31 HA ALA 31 8.251 19.934 7.205 275 HB1 ALA 31 HB1 ALA 31 10.277 21.285 7.618 276 HB2 ALA 31 HB2 ALA 31 10.558 19.580 7.975 277 HB3 ALA 31 HB3 ALA 31 10.317 20.730 9.294 278 H THR 32 H THR 32 6.873 18.280 7.759 279 HA THR 32 HA THR 32 7.367 16.797 10.271 280 HB THR 32 HB THR 32 4.576 17.398 9.181 281 HG1 THR 32 HG1 THR 32 6.150 18.656 11.101 282 HG21 THR 32 HG21 THR 32 3.743 16.335 11.249 283 HG22 THR 32 HG22 THR 32 5.395 15.926 11.715 284 HG23 THR 32 HG23 THR 32 4.673 15.190 10.280 285 H VAL 33 H VAL 33 5.520 16.735 7.232 286 HA VAL 33 HA VAL 33 5.785 13.884 6.874 287 HB VAL 33 HB VAL 33 4.703 14.378 4.591 288 HG11 VAL 33 HG11 VAL 33 3.196 15.273 7.083 289 HG12 VAL 33 HG12 VAL 33 3.373 13.610 6.518 290 HG13 VAL 33 HG13 VAL 33 2.459 14.773 5.557 291 HG21 VAL 33 HG21 VAL 33 5.424 16.727 4.357 292 HG22 VAL 33 HG22 VAL 33 4.456 17.182 5.761 293 HG23 VAL 33 HG23 VAL 33 3.663 16.611 4.290 294 H TRP 34 H TRP 34 6.887 12.849 5.247 295 HA TRP 34 HA TRP 34 9.442 14.049 4.462 296 HB2 TRP 34 HB2 TRP 34 8.457 11.160 4.449 297 HB3 TRP 34 HB3 TRP 34 10.095 11.668 4.042 298 HD1 TRP 34 HD1 TRP 34 11.702 12.396 6.084 299 HE1 TRP 34 HE1 TRP 34 11.553 12.006 8.619 300 HE3 TRP 34 HE3 TRP 34 6.794 10.976 6.414 301 HZ2 TRP 34 HZ2 TRP 34 9.626 11.198 10.516 302 HZ3 TRP 34 HZ3 TRP 34 5.874 10.404 8.626 303 HH2 TRP 34 HH2 TRP 34 7.263 10.514 10.638 304 H LYS 35 H LYS 35 9.943 12.227 2.264 305 HA LYS 35 HA LYS 35 9.095 14.022 0.201 306 HB2 LYS 35 HB2 LYS 35 10.601 12.707 -1.252 307 HB3 LYS 35 HB3 LYS 35 11.367 13.141 0.272 308 HG2 LYS 35 HG2 LYS 35 10.890 10.828 1.117 309 HG3 LYS 35 HG3 LYS 35 10.239 10.418 -0.471 310 HD2 LYS 35 HD2 LYS 35 12.542 9.620 -0.285 311 HD3 LYS 35 HD3 LYS 35 12.455 10.907 -1.492 312 HE2 LYS 35 HE2 LYS 35 13.298 12.520 0.221 313 HE3 LYS 35 HE3 LYS 35 13.436 11.190 1.374 314 HZ1 LYS 35 HZ1 LYS 35 15.023 10.138 -0.122 315 HZ2 LYS 35 HZ2 LYS 35 15.546 11.670 0.366 316 HZ3 LYS 35 HZ3 LYS 35 14.911 11.448 -1.186 317 H GLU 36 H GLU 36 7.352 11.458 1.393 318 HA GLU 36 HA GLU 36 6.192 10.355 -0.980 319 HB2 GLU 36 HB2 GLU 36 5.034 10.686 1.826 320 HB3 GLU 36 HB3 GLU 36 4.220 9.806 0.540 321 HG2 GLU 36 HG2 GLU 36 5.316 8.289 2.115 322 HG3 GLU 36 HG3 GLU 36 5.991 8.140 0.497 323 H LEU 37 H LEU 37 5.723 13.285 0.881 324 HA LEU 37 HA LEU 37 3.266 14.128 -0.272 325 HB2 LEU 37 HB2 LEU 37 4.989 15.069 1.804 326 HB3 LEU 37 HB3 LEU 37 4.886 16.385 0.660 327 HG LEU 37 HG LEU 37 3.214 16.702 2.366 328 HD11 LEU 37 HD11 LEU 37 1.194 16.916 1.056 329 HD12 LEU 37 HD12 LEU 37 1.823 15.816 -0.173 330 HD13 LEU 37 HD13 LEU 37 2.595 17.387 0.094 331 HD21 LEU 37 HD21 LEU 37 2.108 13.970 1.653 332 HD22 LEU 37 HD22 LEU 37 1.433 15.106 2.826 333 HD23 LEU 37 HD23 LEU 37 3.009 14.380 3.116 334 H LYS 38 H LYS 38 3.416 13.949 -2.490 335 HA LYS 38 HA LYS 38 5.217 15.840 -3.898 336 HB2 LYS 38 HB2 LYS 38 5.197 14.333 -5.804 337 HB3 LYS 38 HB3 LYS 38 5.673 13.443 -4.376 338 HG2 LYS 38 HG2 LYS 38 4.253 11.904 -5.347 339 HG3 LYS 38 HG3 LYS 38 3.111 12.746 -4.298 340 HD2 LYS 38 HD2 LYS 38 2.129 12.406 -6.509 341 HD3 LYS 38 HD3 LYS 38 2.367 14.123 -6.226 342 HE2 LYS 38 HE2 LYS 38 4.397 14.081 -7.625 343 HE3 LYS 38 HE3 LYS 38 4.189 12.345 -7.879 344 HZ1 LYS 38 HZ1 LYS 38 2.309 14.469 -8.752 345 HZ2 LYS 38 HZ2 LYS 38 2.070 12.807 -8.956 346 HZ3 LYS 38 HZ3 LYS 38 3.349 13.579 -9.745 347 HA PRO 39 HA PRO 39 1.500 17.923 -5.300 348 HB2 PRO 39 HB2 PRO 39 2.309 19.042 -7.661 349 HB3 PRO 39 HB3 PRO 39 2.876 19.628 -6.090 350 HG2 PRO 39 HG2 PRO 39 4.261 17.812 -8.054 351 HG3 PRO 39 HG3 PRO 39 4.935 19.148 -7.100 352 HD2 PRO 39 HD2 PRO 39 5.203 16.497 -6.395 353 HD3 PRO 39 HD3 PRO 39 5.202 17.830 -5.210 354 H GLY 40 H GLY 40 -0.033 16.379 -5.693 355 HA2 GLY 40 HA2 GLY 40 -1.424 15.766 -7.750 356 HA3 GLY 40 HA3 GLY 40 -0.007 14.845 -8.235 357 H MET 41 H MET 41 -1.033 15.120 -4.900 358 HA MET 41 HA MET 41 -1.908 12.285 -4.861 359 HB2 MET 41 HB2 MET 41 -0.700 13.964 -2.619 360 HB3 MET 41 HB3 MET 41 -1.348 12.346 -2.410 361 HG2 MET 41 HG2 MET 41 0.405 11.718 -4.270 362 HG3 MET 41 HG3 MET 41 1.193 13.202 -3.729 363 HE1 MET 41 HE1 MET 41 0.048 12.907 -0.526 364 HE2 MET 41 HE2 MET 41 1.608 13.599 -0.973 365 HE3 MET 41 HE3 MET 41 1.531 12.272 0.187 366 H LYS 42 H LYS 42 -3.218 12.153 -2.508 367 HA LYS 42 HA LYS 42 -5.308 14.248 -2.503 368 HB2 LYS 42 HB2 LYS 42 -6.723 12.481 -1.322 369 HB3 LYS 42 HB3 LYS 42 -6.467 12.269 -3.045 370 HG2 LYS 42 HG2 LYS 42 -4.904 10.494 -2.672 371 HG3 LYS 42 HG3 LYS 42 -4.843 10.826 -0.942 372 HD2 LYS 42 HD2 LYS 42 -6.240 8.820 -1.561 373 HD3 LYS 42 HD3 LYS 42 -7.108 10.049 -0.630 374 HE2 LYS 42 HE2 LYS 42 -8.120 10.909 -2.727 375 HE3 LYS 42 HE3 LYS 42 -7.266 9.671 -3.644 376 HZ1 LYS 42 HZ1 LYS 42 -9.440 8.896 -3.278 377 HZ2 LYS 42 HZ2 LYS 42 -9.417 9.318 -1.644 378 HZ3 LYS 42 HZ3 LYS 42 -8.475 8.030 -2.196 379 H PHE 43 H PHE 43 -6.246 14.699 -0.393 380 HA PHE 43 HA PHE 43 -4.542 14.098 1.947 381 HB2 PHE 43 HB2 PHE 43 -4.069 16.415 0.898 382 HB3 PHE 43 HB3 PHE 43 -5.665 16.879 1.444 383 HD1 PHE 43 HD1 PHE 43 -5.947 16.065 4.156 384 HD2 PHE 43 HD2 PHE 43 -2.377 17.333 2.173 385 HE1 PHE 43 HE1 PHE 43 -5.017 16.824 6.294 386 HE2 PHE 43 HE2 PHE 43 -1.456 18.078 4.321 387 HZ PHE 43 HZ PHE 43 -2.775 17.829 6.378 388 H VAL 44 H VAL 44 -5.981 12.823 2.944 389 HA VAL 44 HA VAL 44 -8.812 13.422 2.986 390 HB VAL 44 HB VAL 44 -7.275 11.136 4.288 391 HG11 VAL 44 HG11 VAL 44 -9.490 11.493 5.310 392 HG12 VAL 44 HG12 VAL 44 -9.461 9.996 4.377 393 HG13 VAL 44 HG13 VAL 44 -10.244 11.434 3.714 394 HG21 VAL 44 HG21 VAL 44 -8.705 11.258 1.598 395 HG22 VAL 44 HG22 VAL 44 -8.011 9.807 2.317 396 HG23 VAL 44 HG23 VAL 44 -6.958 11.139 1.846 397 H PHE 45 H PHE 45 -9.714 14.654 4.470 398 HA PHE 45 HA PHE 45 -8.243 15.552 6.809 399 HB2 PHE 45 HB2 PHE 45 -11.039 16.348 5.868 400 HB3 PHE 45 HB3 PHE 45 -10.071 17.171 7.097 401 HD1 PHE 45 HD1 PHE 45 -7.700 17.992 6.343 402 HD2 PHE 45 HD2 PHE 45 -10.878 17.092 3.635 403 HE1 PHE 45 HE1 PHE 45 -6.574 19.281 4.584 404 HE2 PHE 45 HE2 PHE 45 -9.741 18.378 1.894 405 HZ PHE 45 HZ PHE 45 -7.596 19.470 2.360 406 H TYR 46 H TYR 46 -8.205 14.215 8.440 407 HA TYR 46 HA TYR 46 -10.309 12.414 9.208 408 HB2 TYR 46 HB2 TYR 46 -7.874 11.941 9.513 409 HB3 TYR 46 HB3 TYR 46 -7.772 13.260 10.667 410 HD1 TYR 46 HD1 TYR 46 -9.644 10.067 10.082 411 HD2 TYR 46 HD2 TYR 46 -7.971 12.730 12.961 412 HE1 TYR 46 HE1 TYR 46 -10.119 8.450 11.860 413 HE2 TYR 46 HE2 TYR 46 -8.440 11.110 14.746 414 HH TYR 46 HH TYR 46 -10.040 9.206 15.117 415 H GLN 47 H GLN 47 -11.603 12.592 11.093 416 HA GLN 47 HA GLN 47 -12.164 15.393 11.869 417 HB2 GLN 47 HB2 GLN 47 -13.948 14.154 10.645 418 HB3 GLN 47 HB3 GLN 47 -13.983 12.949 11.926 419 HG2 GLN 47 HG2 GLN 47 -14.665 14.775 13.521 420 HG3 GLN 47 HG3 GLN 47 -14.774 15.871 12.144 421 HE21 GLN 47 HE21 GLN 47 -16.994 16.219 12.408 422 HE22 GLN 47 HE22 GLN 47 -18.178 14.997 12.109 423 H SER 48 H SER 48 -12.675 12.161 13.283 424 HA SER 48 HA SER 48 -11.399 12.766 15.806 425 HB2 SER 48 HB2 SER 48 -13.617 13.946 16.001 426 HB3 SER 48 HB3 SER 48 -14.436 12.415 15.709 427 HG SER 48 HG SER 48 -14.369 12.615 17.878 428 H HIS 49 H HIS 49 -12.056 10.848 17.390 429 HA HIS 49 HA HIS 49 -11.430 8.377 15.977 430 HB2 HIS 49 HB2 HIS 49 -11.682 9.048 18.944 431 HB3 HIS 49 HB3 HIS 49 -11.262 7.448 18.343 432 HD1 HIS 49 HD1 HIS 49 -8.881 7.064 17.547 433 HD2 HIS 49 HD2 HIS 49 -9.645 11.032 18.518 434 HE1 HIS 49 HE1 HIS 49 -6.642 8.195 17.549 435 HE2 HIS 49 HE2 HIS 49 -7.132 10.618 18.041 436 H GLU 50 H GLU 50 -12.691 6.491 17.697 437 HA GLU 50 HA GLU 50 -14.541 5.222 17.918 438 HB2 GLU 50 HB2 GLU 50 -16.066 7.857 17.660 439 HB3 GLU 50 HB3 GLU 50 -16.771 6.333 18.195 440 HG2 GLU 50 HG2 GLU 50 -14.536 7.806 19.634 441 HG3 GLU 50 HG3 GLU 50 -16.246 7.942 20.041 442 H ASP 51 H ASP 51 -17.140 5.706 16.481 443 HA ASP 51 HA ASP 51 -16.441 4.581 13.921 444 HB2 ASP 51 HB2 ASP 51 -19.105 5.428 15.131 445 HB3 ASP 51 HB3 ASP 51 -18.962 4.654 13.555 446 H THR 52 H THR 52 -16.764 7.774 15.050 447 HA THR 52 HA THR 52 -17.601 8.873 12.442 448 HB THR 52 HB THR 52 -18.076 10.975 13.706 449 HG1 THR 52 HG1 THR 52 -16.517 10.360 15.471 450 HG21 THR 52 HG21 THR 52 -20.069 10.157 14.935 451 HG22 THR 52 HG22 THR 52 -19.439 8.508 14.864 452 HG23 THR 52 HG23 THR 52 -19.899 9.341 13.378 453 H GLY 53 H GLY 53 -15.486 8.462 11.555 454 HA2 GLY 53 HA2 GLY 53 -13.536 10.627 12.162 455 HA3 GLY 53 HA3 GLY 53 -13.048 9.005 11.675 456 H PHE 54 H PHE 54 -12.140 11.075 10.249 457 HA PHE 54 HA PHE 54 -11.840 11.928 8.193 458 HB2 PHE 54 HB2 PHE 54 -13.349 9.417 7.378 459 HB3 PHE 54 HB3 PHE 54 -12.445 10.444 6.274 460 HD1 PHE 54 HD1 PHE 54 -9.907 10.910 7.112 461 HD2 PHE 54 HD2 PHE 54 -12.226 7.462 8.114 462 HE1 PHE 54 HE1 PHE 54 -7.855 9.636 7.519 463 HE2 PHE 54 HE2 PHE 54 -10.152 6.201 8.501 464 HZ PHE 54 HZ PHE 54 -7.965 7.281 8.214 465 H VAL 55 H VAL 55 -12.964 13.832 8.311 466 HA VAL 55 HA VAL 55 -15.810 14.032 7.859 467 HB VAL 55 HB VAL 55 -14.805 15.525 9.439 468 HG11 VAL 55 HG11 VAL 55 -13.154 17.271 8.883 469 HG12 VAL 55 HG12 VAL 55 -13.057 16.652 7.233 470 HG13 VAL 55 HG13 VAL 55 -12.518 15.650 8.582 471 HG21 VAL 55 HG21 VAL 55 -15.635 17.716 8.725 472 HG22 VAL 55 HG22 VAL 55 -16.748 16.433 8.249 473 HG23 VAL 55 HG23 VAL 55 -15.682 17.166 7.047 474 H GLY 56 H GLY 56 -12.924 14.245 5.874 475 HA2 GLY 56 HA2 GLY 56 -14.387 14.024 3.444 476 HA3 GLY 56 HA3 GLY 56 -13.870 15.695 3.658 477 H GLU 57 H GLU 57 -12.760 15.092 1.575 478 HA GLU 57 HA GLU 57 -9.949 14.684 2.254 479 HB2 GLU 57 HB2 GLU 57 -9.423 13.182 0.438 480 HB3 GLU 57 HB3 GLU 57 -10.690 12.433 1.398 481 HG2 GLU 57 HG2 GLU 57 -12.330 12.790 -0.280 482 HG3 GLU 57 HG3 GLU 57 -11.331 13.970 -1.125 483 H ALA 58 H ALA 58 -8.644 15.162 0.127 484 HA ALA 58 HA ALA 58 -9.807 17.036 -1.741 485 HB1 ALA 58 HB1 ALA 58 -8.219 18.884 -1.182 486 HB2 ALA 58 HB2 ALA 58 -7.735 17.988 0.264 487 HB3 ALA 58 HB3 ALA 58 -9.389 18.572 0.103 488 H ARG 59 H ARG 59 -7.522 18.084 -2.833 489 HA ARG 59 HA ARG 59 -5.842 15.740 -3.484 490 HB2 ARG 59 HB2 ARG 59 -6.925 17.806 -5.447 491 HB3 ARG 59 HB3 ARG 59 -5.860 16.451 -5.849 492 HG2 ARG 59 HG2 ARG 59 -8.663 16.199 -4.698 493 HG3 ARG 59 HG3 ARG 59 -8.254 16.015 -6.409 494 HD2 ARG 59 HD2 ARG 59 -7.011 13.999 -5.971 495 HD3 ARG 59 HD3 ARG 59 -7.041 14.277 -4.229 496 HE ARG 59 HE ARG 59 -9.250 13.578 -4.130 497 HH11 ARG 59 HH11 ARG 59 -8.076 13.365 -7.466 498 HH12 ARG 59 HH12 ARG 59 -9.480 12.511 -8.014 499 HH21 ARG 59 HH21 ARG 59 -11.059 12.501 -4.864 500 HH22 ARG 59 HH22 ARG 59 -11.180 12.007 -6.524 501 H ILE 60 H ILE 60 -3.856 16.092 -2.958 502 HA ILE 60 HA ILE 60 -2.704 18.603 -2.285 503 HB ILE 60 HB ILE 60 -1.635 15.784 -2.560 504 HG12 ILE 60 HG12 ILE 60 -1.631 17.578 -0.108 505 HG13 ILE 60 HG13 ILE 60 -3.025 16.601 -0.537 506 HG21 ILE 60 HG21 ILE 60 0.229 17.144 -3.333 507 HG22 ILE 60 HG22 ILE 60 0.583 16.519 -1.724 508 HG23 ILE 60 HG23 ILE 60 0.086 18.201 -1.926 509 HD11 ILE 60 HD11 ILE 60 -1.709 14.576 -0.297 510 HD12 ILE 60 HD12 ILE 60 -1.620 15.555 1.167 511 HD13 ILE 60 HD13 ILE 60 -0.262 15.530 0.046 512 H LYS 61 H LYS 61 -1.554 19.933 -3.420 513 HA LYS 61 HA LYS 61 -0.578 19.371 -6.126 514 HB2 LYS 61 HB2 LYS 61 -2.642 21.462 -5.332 515 HB3 LYS 61 HB3 LYS 61 -1.661 21.660 -6.773 516 HG2 LYS 61 HG2 LYS 61 -3.489 19.300 -6.251 517 HG3 LYS 61 HG3 LYS 61 -3.921 20.717 -7.209 518 HD2 LYS 61 HD2 LYS 61 -1.668 18.759 -7.846 519 HD3 LYS 61 HD3 LYS 61 -3.243 18.820 -8.644 520 HE2 LYS 61 HE2 LYS 61 -2.728 21.113 -9.441 521 HE3 LYS 61 HE3 LYS 61 -1.137 21.008 -8.682 522 HZ1 LYS 61 HZ1 LYS 61 -0.944 20.509 -10.983 523 HZ2 LYS 61 HZ2 LYS 61 -2.172 19.350 -10.906 524 HZ3 LYS 61 HZ3 LYS 61 -0.701 19.070 -10.128 525 H ARG 62 H ARG 62 0.039 22.165 -6.626 526 HA ARG 62 HA ARG 62 2.686 21.915 -6.139 527 HB2 ARG 62 HB2 ARG 62 2.968 24.159 -6.991 528 HB3 ARG 62 HB3 ARG 62 1.591 23.440 -7.815 529 HG2 ARG 62 HG2 ARG 62 0.117 24.705 -6.147 530 HG3 ARG 62 HG3 ARG 62 1.574 25.572 -5.663 531 HD2 ARG 62 HD2 ARG 62 0.657 27.024 -7.237 532 HD3 ARG 62 HD3 ARG 62 1.778 26.105 -8.243 533 HE ARG 62 HE ARG 62 -1.080 25.374 -8.064 534 HH11 ARG 62 HH11 ARG 62 1.684 26.159 -10.077 535 HH12 ARG 62 HH12 ARG 62 0.791 26.026 -11.557 536 HH21 ARG 62 HH21 ARG 62 -2.234 25.180 -9.983 537 HH22 ARG 62 HH22 ARG 62 -1.449 25.490 -11.497 538 H VAL 63 H VAL 63 3.886 21.870 -4.370 539 HA VAL 63 HA VAL 63 3.019 23.166 -1.896 540 HB VAL 63 HB VAL 63 4.787 21.862 -0.767 541 HG11 VAL 63 HG11 VAL 63 3.852 19.602 -1.140 542 HG12 VAL 63 HG12 VAL 63 3.097 20.153 -2.637 543 HG13 VAL 63 HG13 VAL 63 2.580 20.826 -1.089 544 HG21 VAL 63 HG21 VAL 63 5.521 20.761 -3.524 545 HG22 VAL 63 HG22 VAL 63 6.173 20.186 -1.986 546 HG23 VAL 63 HG23 VAL 63 6.523 21.826 -2.535 547 H VAL 64 H VAL 64 3.764 25.113 -1.313 548 HA VAL 64 HA VAL 64 6.032 26.387 -2.651 549 HB VAL 64 HB VAL 64 4.081 27.475 -0.570 550 HG11 VAL 64 HG11 VAL 64 6.115 28.997 -2.238 551 HG12 VAL 64 HG12 VAL 64 6.185 28.735 -0.493 552 HG13 VAL 64 HG13 VAL 64 4.900 29.728 -1.185 553 HG21 VAL 64 HG21 VAL 64 3.009 28.678 -2.455 554 HG22 VAL 64 HG22 VAL 64 2.913 26.924 -2.649 555 HG23 VAL 64 HG23 VAL 64 4.089 27.853 -3.584 556 H LEU 65 H LEU 65 7.959 25.841 -1.840 557 HA LEU 65 HA LEU 65 8.290 25.136 0.995 558 HB2 LEU 65 HB2 LEU 65 10.207 24.875 -1.363 559 HB3 LEU 65 HB3 LEU 65 10.485 24.257 0.258 560 HG LEU 65 HG LEU 65 8.283 23.293 -1.623 561 HD11 LEU 65 HD11 LEU 65 9.594 21.239 -1.889 562 HD12 LEU 65 HD12 LEU 65 10.901 21.931 -0.924 563 HD13 LEU 65 HD13 LEU 65 10.475 22.648 -2.479 564 HD21 LEU 65 HD21 LEU 65 9.153 22.202 1.076 565 HD22 LEU 65 HD22 LEU 65 7.969 21.459 -0.006 566 HD23 LEU 65 HD23 LEU 65 7.636 23.030 0.713 567 H SER 66 H SER 66 8.847 26.746 2.304 568 HA SER 66 HA SER 66 10.953 28.641 1.666 569 HB2 SER 66 HB2 SER 66 8.911 29.767 0.755 570 HB3 SER 66 HB3 SER 66 8.153 29.672 2.345 571 HG SER 66 HG SER 66 9.708 31.570 1.455 572 H GLU 67 H GLU 67 11.870 29.536 3.514 573 HA GLU 67 HA GLU 67 11.576 27.929 5.862 574 HB2 GLU 67 HB2 GLU 67 13.403 30.248 5.201 575 HB3 GLU 67 HB3 GLU 67 13.427 29.425 6.755 576 HG2 GLU 67 HG2 GLU 67 13.798 27.268 5.373 577 HG3 GLU 67 HG3 GLU 67 14.209 28.358 4.056 578 H ASN 68 H ASN 68 10.462 31.134 4.957 579 HA ASN 68 HA ASN 68 9.669 31.740 7.731 580 HB2 ASN 68 HB2 ASN 68 9.277 33.489 5.276 581 HB3 ASN 68 HB3 ASN 68 9.028 33.963 6.945 582 HD21 ASN 68 HD21 ASN 68 10.674 35.305 5.102 583 HD22 ASN 68 HD22 ASN 68 12.300 35.231 5.679 584 HA PRO 69 HA PRO 69 5.545 30.074 6.760 585 HB2 PRO 69 HB2 PRO 69 4.348 30.902 9.130 586 HB3 PRO 69 HB3 PRO 69 5.263 29.405 8.944 587 HG2 PRO 69 HG2 PRO 69 6.167 32.051 10.054 588 HG3 PRO 69 HG3 PRO 69 6.496 30.412 10.656 589 HD2 PRO 69 HD2 PRO 69 8.339 31.778 9.236 590 HD3 PRO 69 HD3 PRO 69 8.157 30.015 9.058 591 H MET 70 H MET 70 6.429 33.382 7.538 592 HA MET 70 HA MET 70 3.796 34.523 7.202 593 HB2 MET 70 HB2 MET 70 6.500 35.922 7.331 594 HB3 MET 70 HB3 MET 70 4.935 36.726 7.359 595 HG2 MET 70 HG2 MET 70 5.695 36.656 9.608 596 HG3 MET 70 HG3 MET 70 4.423 35.445 9.478 597 HE1 MET 70 HE1 MET 70 8.309 36.065 9.757 598 HE2 MET 70 HE2 MET 70 8.190 35.166 8.243 599 HE3 MET 70 HE3 MET 70 8.933 34.418 9.656 600 H GLN 71 H GLN 71 6.406 33.677 5.101 601 HA GLN 71 HA GLN 71 5.871 35.169 2.794 602 HB2 GLN 71 HB2 GLN 71 6.810 32.288 3.117 603 HB3 GLN 71 HB3 GLN 71 6.745 33.094 1.554 604 HG2 GLN 71 HG2 GLN 71 8.381 34.154 3.874 605 HG3 GLN 71 HG3 GLN 71 9.005 32.986 2.709 606 HE21 GLN 71 HE21 GLN 71 7.987 36.290 3.199 607 HE22 GLN 71 HE22 GLN 71 8.641 36.918 1.728 608 H PHE 72 H PHE 72 4.337 32.269 4.092 609 HA PHE 72 HA PHE 72 2.589 31.783 1.863 610 HB2 PHE 72 HB2 PHE 72 2.202 30.765 4.706 611 HB3 PHE 72 HB3 PHE 72 1.626 30.031 3.211 612 HD1 PHE 72 HD1 PHE 72 4.087 30.050 1.526 613 HD2 PHE 72 HD2 PHE 72 3.568 29.158 5.680 614 HE1 PHE 72 HE1 PHE 72 6.073 28.602 1.473 615 HE2 PHE 72 HE2 PHE 72 5.545 27.715 5.603 616 HZ PHE 72 HZ PHE 72 6.805 27.434 3.509 617 H PHE 73 H PHE 73 2.414 33.705 4.804 618 HA PHE 73 HA PHE 73 -0.477 34.057 4.622 619 HB2 PHE 73 HB2 PHE 73 1.560 35.171 6.590 620 HB3 PHE 73 HB3 PHE 73 -0.178 35.462 6.690 621 HD1 PHE 73 HD1 PHE 73 -1.671 33.214 6.592 622 HD2 PHE 73 HD2 PHE 73 2.402 33.383 7.872 623 HE1 PHE 73 HE1 PHE 73 -1.953 31.109 7.810 624 HE2 PHE 73 HE2 PHE 73 2.099 31.263 9.073 625 HZ PHE 73 HZ PHE 73 -0.075 30.122 9.039 626 H GLU 74 H GLU 74 2.328 35.705 3.418 627 HA GLU 74 HA GLU 74 0.792 38.154 2.858 628 HB2 GLU 74 HB2 GLU 74 2.840 39.126 2.038 629 HB3 GLU 74 HB3 GLU 74 3.201 38.302 3.549 630 HG2 GLU 74 HG2 GLU 74 4.114 36.387 2.227 631 HG3 GLU 74 HG3 GLU 74 3.847 37.318 0.752 632 H THR 75 H THR 75 2.004 35.270 1.251 633 HA THR 75 HA THR 75 1.296 36.070 -1.425 634 HB THR 75 HB THR 75 1.971 33.328 -0.260 635 HG1 THR 75 HG1 THR 75 3.667 34.933 -0.309 636 HG21 THR 75 HG21 THR 75 0.632 33.044 -2.333 637 HG22 THR 75 HG22 THR 75 2.306 32.543 -2.571 638 HG23 THR 75 HG23 THR 75 1.753 34.098 -3.199 639 H PHE 76 H PHE 76 -0.036 33.660 0.873 640 HA PHE 76 HA PHE 76 -2.567 33.501 -0.631 641 HB2 PHE 76 HB2 PHE 76 -1.560 31.760 1.654 642 HB3 PHE 76 HB3 PHE 76 -2.976 31.448 0.664 643 HD1 PHE 76 HD1 PHE 76 -2.535 31.159 -1.906 644 HD2 PHE 76 HD2 PHE 76 0.469 30.737 1.108 645 HE1 PHE 76 HE1 PHE 76 -1.178 29.801 -3.436 646 HE2 PHE 76 HE2 PHE 76 1.820 29.376 -0.429 647 HZ PHE 76 HZ PHE 76 0.994 28.907 -2.701 648 H GLY 77 H GLY 77 -1.635 33.380 2.839 649 HA2 GLY 77 HA2 GLY 77 -2.499 34.306 4.745 650 HA3 GLY 77 HA3 GLY 77 -3.192 35.578 3.755 651 H ASP 78 H ASP 78 -5.203 35.214 2.763 652 HA ASP 78 HA ASP 78 -7.253 34.098 4.304 653 HB2 ASP 78 HB2 ASP 78 -7.658 35.916 2.729 654 HB3 ASP 78 HB3 ASP 78 -7.162 34.909 1.373 655 H ARG 79 H ARG 79 -5.421 32.758 1.595 656 HA ARG 79 HA ARG 79 -7.181 30.523 1.124 657 HB2 ARG 79 HB2 ARG 79 -4.320 30.841 0.117 658 HB3 ARG 79 HB3 ARG 79 -5.574 29.811 -0.560 659 HG2 ARG 79 HG2 ARG 79 -5.592 32.852 -0.557 660 HG3 ARG 79 HG3 ARG 79 -5.159 31.830 -1.931 661 HD2 ARG 79 HD2 ARG 79 -7.400 31.010 -2.141 662 HD3 ARG 79 HD3 ARG 79 -7.869 31.686 -0.581 663 HE ARG 79 HE ARG 79 -7.022 33.779 -2.257 664 HH11 ARG 79 HH11 ARG 79 -9.746 31.556 -1.961 665 HH12 ARG 79 HH12 ARG 79 -10.853 32.651 -2.724 666 HH21 ARG 79 HH21 ARG 79 -8.494 35.192 -3.210 667 HH22 ARG 79 HH22 ARG 79 -10.147 34.722 -3.423 668 H VAL 80 H VAL 80 -4.545 31.109 3.323 669 HA VAL 80 HA VAL 80 -3.838 28.317 3.746 670 HB VAL 80 HB VAL 80 -3.194 30.693 5.555 671 HG11 VAL 80 HG11 VAL 80 -2.858 28.503 6.630 672 HG12 VAL 80 HG12 VAL 80 -1.320 29.325 6.360 673 HG13 VAL 80 HG13 VAL 80 -1.808 27.999 5.299 674 HG21 VAL 80 HG21 VAL 80 -1.536 29.637 3.237 675 HG22 VAL 80 HG22 VAL 80 -1.012 30.861 4.399 676 HG23 VAL 80 HG23 VAL 80 -2.361 31.198 3.310 677 H PHE 81 H PHE 81 -4.525 27.008 5.515 678 HA PHE 81 HA PHE 81 -7.199 27.246 6.240 679 HB2 PHE 81 HB2 PHE 81 -6.952 25.251 7.543 680 HB3 PHE 81 HB3 PHE 81 -5.900 25.110 6.149 681 HD1 PHE 81 HD1 PHE 81 -3.411 25.254 6.429 682 HD2 PHE 81 HD2 PHE 81 -6.055 25.124 9.782 683 HE1 PHE 81 HE1 PHE 81 -1.553 24.553 7.883 684 HE2 PHE 81 HE2 PHE 81 -4.191 24.439 11.229 685 HZ PHE 81 HZ PHE 81 -1.938 24.151 10.279 686 H LEU 82 H LEU 82 -4.355 28.050 8.159 687 HA LEU 82 HA LEU 82 -6.091 29.395 10.143 688 HB2 LEU 82 HB2 LEU 82 -4.421 29.178 11.771 689 HB3 LEU 82 HB3 LEU 82 -4.357 27.642 10.941 690 HG LEU 82 HG LEU 82 -2.379 29.929 10.526 691 HD11 LEU 82 HD11 LEU 82 -0.764 28.562 11.766 692 HD12 LEU 82 HD12 LEU 82 -2.017 27.363 12.103 693 HD13 LEU 82 HD13 LEU 82 -2.148 28.992 12.771 694 HD21 LEU 82 HD21 LEU 82 -2.577 28.526 8.541 695 HD22 LEU 82 HD22 LEU 82 -2.271 27.082 9.507 696 HD23 LEU 82 HD23 LEU 82 -1.013 28.307 9.323 697 H THR 83 H THR 83 -5.297 31.564 10.876 698 HA THR 83 HA THR 83 -4.037 33.080 8.677 699 HB THR 83 HB THR 83 -6.200 33.970 9.449 700 HG1 THR 83 HG1 THR 83 -5.190 36.141 10.235 701 HG21 THR 83 HG21 THR 83 -6.163 33.238 11.796 702 HG22 THR 83 HG22 THR 83 -6.455 34.974 11.687 703 HG23 THR 83 HG23 THR 83 -4.858 34.375 12.143 704 H LYS 84 H LYS 84 -2.688 35.046 9.620 705 HA LYS 84 HA LYS 84 -0.324 33.952 10.714 706 HB2 LYS 84 HB2 LYS 84 -0.463 35.919 9.160 707 HB3 LYS 84 HB3 LYS 84 -1.123 36.875 10.482 708 HG2 LYS 84 HG2 LYS 84 1.007 36.476 11.754 709 HG3 LYS 84 HG3 LYS 84 1.657 35.662 10.329 710 HD2 LYS 84 HD2 LYS 84 0.750 38.564 10.482 711 HD3 LYS 84 HD3 LYS 84 2.424 38.006 10.470 712 HE2 LYS 84 HE2 LYS 84 2.223 37.232 8.192 713 HE3 LYS 84 HE3 LYS 84 0.476 37.497 8.196 714 HZ1 LYS 84 HZ1 LYS 84 0.825 39.845 8.359 715 HZ2 LYS 84 HZ2 LYS 84 1.730 39.259 7.058 716 HZ3 LYS 84 HZ3 LYS 84 2.494 39.644 8.513 717 H ASP 85 H ASP 85 -3.068 35.603 12.141 718 HA ASP 85 HA ASP 85 -2.106 36.148 14.751 719 HB2 ASP 85 HB2 ASP 85 -4.933 35.372 13.889 720 HB3 ASP 85 HB3 ASP 85 -4.502 36.144 15.410 721 H GLU 86 H GLU 86 -3.700 33.312 13.349 722 HA GLU 86 HA GLU 86 -3.650 31.645 15.643 723 HB2 GLU 86 HB2 GLU 86 -3.692 30.838 12.710 724 HB3 GLU 86 HB3 GLU 86 -4.058 29.775 14.070 725 HG2 GLU 86 HG2 GLU 86 -5.635 32.224 13.247 726 HG3 GLU 86 HG3 GLU 86 -6.076 30.554 12.902 727 H LEU 87 H LEU 87 -1.326 32.276 13.055 728 HA LEU 87 HA LEU 87 0.522 30.180 13.558 729 HB2 LEU 87 HB2 LEU 87 0.636 31.438 11.467 730 HB3 LEU 87 HB3 LEU 87 0.906 32.942 12.331 731 HG LEU 87 HG LEU 87 3.118 31.908 13.165 732 HD11 LEU 87 HD11 LEU 87 2.662 29.577 12.685 733 HD12 LEU 87 HD12 LEU 87 4.109 30.119 11.842 734 HD13 LEU 87 HD13 LEU 87 2.598 29.916 10.951 735 HD21 LEU 87 HD21 LEU 87 4.370 32.573 11.199 736 HD22 LEU 87 HD22 LEU 87 3.029 33.687 11.451 737 HD23 LEU 87 HD23 LEU 87 2.930 32.458 10.188 738 H LYS 88 H LYS 88 0.467 33.585 14.684 739 HA LYS 88 HA LYS 88 2.965 33.425 16.024 740 HB2 LYS 88 HB2 LYS 88 2.325 35.672 17.031 741 HB3 LYS 88 HB3 LYS 88 2.359 35.582 15.283 742 HG2 LYS 88 HG2 LYS 88 0.444 36.822 15.610 743 HG3 LYS 88 HG3 LYS 88 -0.217 35.205 15.496 744 HD2 LYS 88 HD2 LYS 88 -1.349 36.279 17.302 745 HD3 LYS 88 HD3 LYS 88 -0.238 35.113 18.029 746 HE2 LYS 88 HE2 LYS 88 -0.095 37.167 19.275 747 HE3 LYS 88 HE3 LYS 88 1.390 36.980 18.344 748 HZ1 LYS 88 HZ1 LYS 88 0.522 38.515 16.699 749 HZ2 LYS 88 HZ2 LYS 88 0.540 39.243 18.223 750 HZ3 LYS 88 HZ3 LYS 88 -0.916 38.684 17.570 751 H GLU 89 H GLU 89 -0.379 33.049 17.191 752 HA GLU 89 HA GLU 89 0.339 32.745 19.956 753 HB2 GLU 89 HB2 GLU 89 -1.925 31.919 20.316 754 HB3 GLU 89 HB3 GLU 89 -1.977 33.319 19.248 755 HG2 GLU 89 HG2 GLU 89 -2.273 31.855 17.303 756 HG3 GLU 89 HG3 GLU 89 -2.139 30.430 18.331 757 H TYR 90 H TYR 90 0.094 30.543 17.216 758 HA TYR 90 HA TYR 90 0.135 28.052 18.585 759 HB2 TYR 90 HB2 TYR 90 -0.631 28.223 16.272 760 HB3 TYR 90 HB3 TYR 90 0.927 28.834 15.745 761 HD1 TYR 90 HD1 TYR 90 -0.611 25.771 17.323 762 HD2 TYR 90 HD2 TYR 90 2.441 27.336 14.763 763 HE1 TYR 90 HE1 TYR 90 0.074 23.483 16.740 764 HE2 TYR 90 HE2 TYR 90 3.129 25.035 14.182 765 HH TYR 90 HH TYR 90 2.971 22.750 15.167 766 H MET 91 H MET 91 2.718 29.986 17.065 767 HA MET 91 HA MET 91 4.872 28.222 17.651 768 HB2 MET 91 HB2 MET 91 4.898 31.203 17.021 769 HB3 MET 91 HB3 MET 91 6.337 30.191 17.096 770 HG2 MET 91 HG2 MET 91 5.434 28.831 15.219 771 HG3 MET 91 HG3 MET 91 4.056 29.927 15.118 772 HE1 MET 91 HE1 MET 91 4.345 32.578 14.540 773 HE2 MET 91 HE2 MET 91 5.884 33.296 14.062 774 HE3 MET 91 HE3 MET 91 5.635 32.782 15.729 775 H LYS 92 H LYS 92 3.555 31.103 19.289 776 HA LYS 92 HA LYS 92 5.360 31.194 21.458 777 HB2 LYS 92 HB2 LYS 92 2.486 32.162 21.232 778 HB3 LYS 92 HB3 LYS 92 3.446 32.401 22.686 779 HG2 LYS 92 HG2 LYS 92 4.075 33.498 19.929 780 HG3 LYS 92 HG3 LYS 92 3.436 34.417 21.293 781 HD2 LYS 92 HD2 LYS 92 6.184 33.099 21.116 782 HD3 LYS 92 HD3 LYS 92 5.841 34.828 21.017 783 HE2 LYS 92 HE2 LYS 92 5.036 34.803 23.356 784 HE3 LYS 92 HE3 LYS 92 5.368 33.070 23.453 785 HZ1 LYS 92 HZ1 LYS 92 7.377 35.202 23.000 786 HZ2 LYS 92 HZ2 LYS 92 7.706 33.546 23.062 787 HZ3 LYS 92 HZ3 LYS 92 7.139 34.345 24.435 788 H SER 93 H SER 93 2.368 29.382 20.960 789 HA SER 93 HA SER 93 1.992 28.434 23.592 790 HB2 SER 93 HB2 SER 93 0.239 28.389 21.810 791 HB3 SER 93 HB3 SER 93 1.135 27.119 20.976 792 HG SER 93 HG SER 93 -0.426 27.004 23.267 793 H GLN 94 H GLN 94 3.856 27.171 20.848 794 HA GLN 94 HA GLN 94 4.487 24.651 22.032 795 HB2 GLN 94 HB2 GLN 94 5.926 26.123 19.783 796 HB3 GLN 94 HB3 GLN 94 6.153 24.426 20.197 797 HG2 GLN 94 HG2 GLN 94 3.621 25.687 19.106 798 HG3 GLN 94 HG3 GLN 94 4.752 24.679 18.210 799 HE21 GLN 94 HE21 GLN 94 1.890 24.301 18.681 800 HE22 GLN 94 HE22 GLN 94 1.721 22.773 19.460 801 H GLU 95 H GLU 95 6.022 27.851 22.097 802 HA GLU 95 HA GLU 95 8.461 26.744 23.277 803 HB2 GLU 95 HB2 GLU 95 9.412 29.015 23.060 804 HB3 GLU 95 HB3 GLU 95 8.832 28.362 21.549 805 HG2 GLU 95 HG2 GLU 95 8.004 30.447 21.280 806 HG3 GLU 95 HG3 GLU 95 6.660 29.798 22.209 807 H ARG 96 H ARG 96 5.548 28.275 24.438 808 HA ARG 96 HA ARG 96 6.858 28.883 27.026 809 HB2 ARG 96 HB2 ARG 96 5.026 30.311 27.585 810 HB3 ARG 96 HB3 ARG 96 5.484 30.690 25.931 811 HG2 ARG 96 HG2 ARG 96 3.543 29.417 25.101 812 HG3 ARG 96 HG3 ARG 96 3.096 29.003 26.757 813 HD2 ARG 96 HD2 ARG 96 3.149 31.792 25.535 814 HD3 ARG 96 HD3 ARG 96 1.714 30.850 25.962 815 HE ARG 96 HE ARG 96 3.297 31.125 28.264 816 HH11 ARG 96 HH11 ARG 96 1.288 33.165 26.225 817 HH12 ARG 96 HH12 ARG 96 0.996 34.327 27.478 818 HH21 ARG 96 HH21 ARG 96 2.929 32.657 29.875 819 HH22 ARG 96 HH22 ARG 96 1.932 34.037 29.549 820 H TRP 97 H TRP 97 4.437 26.727 25.605 821 HA TRP 97 HA TRP 97 3.863 25.576 28.283 822 HB2 TRP 97 HB2 TRP 97 2.388 25.043 25.668 823 HB3 TRP 97 HB3 TRP 97 1.912 24.490 27.272 824 HD1 TRP 97 HD1 TRP 97 0.860 26.935 24.898 825 HE1 TRP 97 HE1 TRP 97 -0.306 28.954 25.992 826 HE3 TRP 97 HE3 TRP 97 2.383 26.246 29.748 827 HZ2 TRP 97 HZ2 TRP 97 -0.527 30.110 28.553 828 HZ3 TRP 97 HZ3 TRP 97 1.648 27.860 31.457 829 HH2 TRP 97 HH2 TRP 97 0.218 29.753 30.865 830 H GLY 98 H GLY 98 5.181 24.829 25.113 831 HA2 GLY 98 HA2 GLY 98 5.623 21.999 25.697 832 HA3 GLY 98 HA3 GLY 98 6.061 22.861 24.231 833 H ARG 99 H ARG 99 6.837 23.136 27.689 834 HA ARG 99 HA ARG 99 8.701 23.487 28.901 835 HB2 ARG 99 HB2 ARG 99 10.174 22.142 26.606 836 HB3 ARG 99 HB3 ARG 99 10.816 22.400 28.226 837 HG2 ARG 99 HG2 ARG 99 9.417 20.745 29.180 838 HG3 ARG 99 HG3 ARG 99 8.308 20.756 27.802 839 HD2 ARG 99 HD2 ARG 99 11.167 19.718 27.773 840 HD3 ARG 99 HD3 ARG 99 9.699 18.731 27.802 841 HE ARG 99 HE ARG 99 9.186 20.028 25.612 842 HH11 ARG 99 HH11 ARG 99 12.378 18.875 26.556 843 HH12 ARG 99 HH12 ARG 99 12.919 18.699 24.919 844 HH21 ARG 99 HH21 ARG 99 9.914 19.804 23.485 845 HH22 ARG 99 HH22 ARG 99 11.520 19.226 23.178 846 H ARG 100 H ARG 100 10.401 23.793 25.823 847 HA ARG 100 HA ARG 100 10.085 26.582 25.480 848 HB2 ARG 100 HB2 ARG 100 11.768 26.503 27.430 849 HB3 ARG 100 HB3 ARG 100 12.914 25.780 26.308 850 HG2 ARG 100 HG2 ARG 100 12.784 27.814 24.888 851 HG3 ARG 100 HG3 ARG 100 11.648 28.534 26.034 852 HD2 ARG 100 HD2 ARG 100 14.540 27.771 26.599 853 HD3 ARG 100 HD3 ARG 100 13.917 29.408 26.387 854 HE ARG 100 HE ARG 100 12.486 28.276 28.489 855 HH11 ARG 100 HH11 ARG 100 15.830 29.186 27.860 856 HH12 ARG 100 HH12 ARG 100 16.189 29.432 29.536 857 HH21 ARG 100 HH21 ARG 100 12.989 28.595 30.679 858 HH22 ARG 100 HH22 ARG 100 14.591 29.089 31.133 859 H ARG 101 H ARG 101 9.360 25.297 23.588 860 HA ARG 101 HA ARG 101 11.330 24.170 21.811 861 HB2 ARG 101 HB2 ARG 101 8.819 23.582 21.867 862 HB3 ARG 101 HB3 ARG 101 8.531 25.096 21.030 863 HG2 ARG 101 HG2 ARG 101 10.242 22.831 19.933 864 HG3 ARG 101 HG3 ARG 101 8.535 23.056 19.562 865 HD2 ARG 101 HD2 ARG 101 9.075 25.249 18.529 866 HD3 ARG 101 HD3 ARG 101 10.783 24.980 18.875 867 HE ARG 101 HE ARG 101 9.574 22.888 17.303 868 HH11 ARG 101 HH11 ARG 101 11.259 25.975 17.135 869 HH12 ARG 101 HH12 ARG 101 11.659 25.804 15.459 870 HH21 ARG 101 HH21 ARG 101 10.096 22.691 15.099 871 HH22 ARG 101 HH22 ARG 101 10.991 23.944 14.300 872 H GLU 102 H GLU 102 12.842 25.838 21.845 873 HA GLU 102 HA GLU 102 12.244 28.270 20.254 874 HB2 GLU 102 HB2 GLU 102 14.216 29.252 21.342 875 HB3 GLU 102 HB3 GLU 102 13.139 28.613 22.581 876 HG2 GLU 102 HG2 GLU 102 14.596 26.531 22.604 877 HG3 GLU 102 HG3 GLU 102 15.733 27.412 21.586 878 H SER 103 H SER 103 14.402 28.927 19.038 879 HA SER 103 HA SER 103 16.289 26.919 18.340 880 HB2 SER 103 HB2 SER 103 14.376 26.177 16.891 881 HB3 SER 103 HB3 SER 103 14.372 27.760 16.116 882 HG SER 103 HG SER 103 15.661 26.678 14.801 883 H LYS 104 H LYS 104 18.066 27.801 17.392 884 HA LYS 104 HA LYS 104 18.472 30.626 17.569 885 HB2 LYS 104 HB2 LYS 104 20.233 28.918 18.100 886 HB3 LYS 104 HB3 LYS 104 20.303 28.473 16.403 887 HG2 LYS 104 HG2 LYS 104 22.183 29.919 17.000 888 HG3 LYS 104 HG3 LYS 104 21.130 30.735 15.834 889 HD2 LYS 104 HD2 LYS 104 20.072 31.987 17.717 890 HD3 LYS 104 HD3 LYS 104 21.174 31.197 18.849 891 HE2 LYS 104 HE2 LYS 104 23.089 32.286 17.768 892 HE3 LYS 104 HE3 LYS 104 22.023 33.010 16.560 893 HZ1 LYS 104 HZ1 LYS 104 22.578 34.574 18.299 894 HZ2 LYS 104 HZ2 LYS 104 21.945 33.544 19.481 895 HZ3 LYS 104 HZ3 LYS 104 20.920 34.238 18.325 896 H LYS 105 H LYS 105 17.571 28.446 15.050 897 HA LYS 105 HA LYS 105 17.704 30.554 12.971 898 HB2 LYS 105 HB2 LYS 105 19.514 28.675 12.827 899 HB3 LYS 105 HB3 LYS 105 18.194 27.590 12.431 900 HG2 LYS 105 HG2 LYS 105 19.205 28.245 10.377 901 HG3 LYS 105 HG3 LYS 105 17.656 29.074 10.465 902 HD2 LYS 105 HD2 LYS 105 19.351 30.609 9.630 903 HD3 LYS 105 HD3 LYS 105 18.820 31.133 11.230 904 HE2 LYS 105 HE2 LYS 105 21.249 31.339 11.014 905 HE3 LYS 105 HE3 LYS 105 20.844 30.127 12.229 906 HZ1 LYS 105 HZ1 LYS 105 21.243 28.403 10.534 907 HZ2 LYS 105 HZ2 LYS 105 22.622 29.340 10.824 908 HZ3 LYS 105 HZ3 LYS 105 21.703 29.599 9.429 909 H LYS 106 H LYS 106 16.160 30.062 11.156 910 HA LYS 106 HA LYS 106 13.677 28.826 12.126 911 HB2 LYS 106 HB2 LYS 106 12.448 30.051 10.554 912 HB3 LYS 106 HB3 LYS 106 13.691 31.190 11.023 913 HG2 LYS 106 HG2 LYS 106 14.327 29.575 8.608 914 HG3 LYS 106 HG3 LYS 106 12.931 30.615 8.436 915 HD2 LYS 106 HD2 LYS 106 14.641 31.959 7.643 916 HD3 LYS 106 HD3 LYS 106 14.514 32.505 9.314 917 HE2 LYS 106 HE2 LYS 106 16.859 32.241 8.575 918 HE3 LYS 106 HE3 LYS 106 16.478 31.164 9.913 919 HZ1 LYS 106 HZ1 LYS 106 17.747 30.018 8.213 920 HZ2 LYS 106 HZ2 LYS 106 16.602 30.411 7.037 921 HZ3 LYS 106 HZ3 LYS 106 16.192 29.351 8.291 922 H LYS 107 H LYS 107 12.475 27.446 10.525 923 HA LYS 107 HA LYS 107 14.364 25.546 9.257 924 HB2 LYS 107 HB2 LYS 107 12.935 24.876 11.372 925 HB3 LYS 107 HB3 LYS 107 11.593 24.795 10.251 926 HG2 LYS 107 HG2 LYS 107 12.249 22.586 10.305 927 HG3 LYS 107 HG3 LYS 107 13.168 23.150 8.909 928 HD2 LYS 107 HD2 LYS 107 14.276 22.959 11.734 929 HD3 LYS 107 HD3 LYS 107 14.437 21.681 10.536 930 HE2 LYS 107 HE2 LYS 107 15.577 24.484 10.238 931 HE3 LYS 107 HE3 LYS 107 16.481 23.075 10.790 932 HZ1 LYS 107 HZ1 LYS 107 15.207 23.376 8.122 933 HZ2 LYS 107 HZ2 LYS 107 16.071 22.025 8.657 934 HZ3 LYS 107 HZ3 LYS 107 16.859 23.504 8.459 935 H LEU 108 H LEU 108 13.313 24.230 7.460 936 HA LEU 108 HA LEU 108 12.017 25.957 5.547 937 HB2 LEU 108 HB2 LEU 108 13.806 24.087 5.113 938 HB3 LEU 108 HB3 LEU 108 12.469 22.969 5.200 939 HG LEU 108 HG LEU 108 13.119 23.492 2.873 940 HD11 LEU 108 HD11 LEU 108 10.807 22.845 3.307 941 HD12 LEU 108 HD12 LEU 108 10.946 23.931 1.931 942 HD13 LEU 108 HD13 LEU 108 10.357 24.543 3.479 943 HD21 LEU 108 HD21 LEU 108 12.272 26.337 3.473 944 HD22 LEU 108 HD22 LEU 108 12.750 25.697 1.895 945 HD23 LEU 108 HD23 LEU 108 13.925 25.772 3.209 946 H TRP 109 H TRP 109 9.947 26.417 5.963 947 HA TRP 109 HA TRP 109 7.996 24.389 6.772 948 HB2 TRP 109 HB2 TRP 109 7.706 27.373 6.200 949 HB3 TRP 109 HB3 TRP 109 6.371 26.332 6.669 950 HD1 TRP 109 HD1 TRP 109 9.896 26.924 8.240 951 HE1 TRP 109 HE1 TRP 109 9.586 27.385 10.739 952 HE3 TRP 109 HE3 TRP 109 4.795 26.645 8.477 953 HZ2 TRP 109 HZ2 TRP 109 7.464 27.642 12.582 954 HZ3 TRP 109 HZ3 TRP 109 3.696 27.021 10.654 955 HH2 TRP 109 HH2 TRP 109 5.005 27.509 12.670 956 H MET 110 H MET 110 6.010 24.113 5.453 957 HA MET 110 HA MET 110 6.386 24.463 2.551 958 HB2 MET 110 HB2 MET 110 5.622 22.018 2.275 959 HB3 MET 110 HB3 MET 110 7.262 22.271 2.850 960 HG2 MET 110 HG2 MET 110 6.624 21.739 5.114 961 HG3 MET 110 HG3 MET 110 4.926 21.631 4.654 962 HE1 MET 110 HE1 MET 110 4.919 20.004 1.945 963 HE2 MET 110 HE2 MET 110 3.869 19.679 3.329 964 HE3 MET 110 HE3 MET 110 4.770 18.359 2.575 965 H ALA 111 H ALA 111 4.590 25.004 1.496 966 HA ALA 111 HA ALA 111 1.998 24.991 2.925 967 HB1 ALA 111 HB1 ALA 111 1.420 26.975 1.585 968 HB2 ALA 111 HB2 ALA 111 3.005 26.920 0.803 969 HB3 ALA 111 HB3 ALA 111 2.881 27.248 2.534 970 H ILE 112 H ILE 112 0.940 23.264 2.181 971 HA ILE 112 HA ILE 112 1.292 22.207 -0.500 972 HB ILE 112 HB ILE 112 -0.660 21.243 1.641 973 HG12 ILE 112 HG12 ILE 112 2.209 20.244 1.303 974 HG13 ILE 112 HG13 ILE 112 1.700 21.379 2.550 975 HG21 ILE 112 HG21 ILE 112 0.615 19.751 -0.682 976 HG22 ILE 112 HG22 ILE 112 -1.054 20.321 -0.600 977 HG23 ILE 112 HG23 ILE 112 -0.499 19.064 0.505 978 HD11 ILE 112 HD11 ILE 112 0.706 18.541 2.248 979 HD12 ILE 112 HD12 ILE 112 0.212 19.685 3.499 980 HD13 ILE 112 HD13 ILE 112 1.881 19.125 3.426 981 H GLU 113 H GLU 113 -0.067 22.666 -2.212 982 HA GLU 113 HA GLU 113 -2.401 24.366 -1.782 983 HB2 GLU 113 HB2 GLU 113 -0.981 24.820 -3.745 984 HB3 GLU 113 HB3 GLU 113 -1.237 23.184 -4.344 985 HG2 GLU 113 HG2 GLU 113 -3.643 23.681 -4.671 986 HG3 GLU 113 HG3 GLU 113 -3.387 25.313 -4.059 987 H LEU 114 H LEU 114 -4.194 23.422 -1.079 988 HA LEU 114 HA LEU 114 -4.952 20.724 -1.952 989 HB2 LEU 114 HB2 LEU 114 -5.702 22.475 0.394 990 HB3 LEU 114 HB3 LEU 114 -6.855 21.265 -0.136 991 HG LEU 114 HG LEU 114 -5.597 20.305 1.653 992 HD11 LEU 114 HD11 LEU 114 -4.590 18.368 0.545 993 HD12 LEU 114 HD12 LEU 114 -4.646 19.205 -1.000 994 HD13 LEU 114 HD13 LEU 114 -6.142 18.809 -0.148 995 HD21 LEU 114 HD21 LEU 114 -3.065 21.034 0.153 996 HD22 LEU 114 HD22 LEU 114 -3.141 20.024 1.600 997 HD23 LEU 114 HD23 LEU 114 -3.626 21.722 1.681 998 H GLU 115 H GLU 115 -6.113 20.680 -3.770 999 HA GLU 115 HA GLU 115 -8.370 22.582 -4.114 1000 HB2 GLU 115 HB2 GLU 115 -8.118 22.433 -6.514 1001 HB3 GLU 115 HB3 GLU 115 -6.550 22.876 -5.835 1002 HG2 GLU 115 HG2 GLU 115 -5.652 20.705 -6.210 1003 HG3 GLU 115 HG3 GLU 115 -7.243 20.021 -6.558 1004 H ASP 116 H ASP 116 -10.144 21.646 -5.422 1005 HA ASP 116 HA ASP 116 -11.857 20.184 -5.676 1006 HB2 ASP 116 HB2 ASP 116 -10.263 19.236 -7.358 1007 HB3 ASP 116 HB3 ASP 116 -9.631 18.152 -6.124 1008 H VAL 117 H VAL 117 -11.745 20.728 -3.203 1009 HA VAL 117 HA VAL 117 -11.120 18.538 -1.462 1010 HB VAL 117 HB VAL 117 -12.632 21.092 -0.780 1011 HG11 VAL 117 HG11 VAL 117 -11.169 19.098 0.992 1012 HG12 VAL 117 HG12 VAL 117 -12.920 19.297 0.888 1013 HG13 VAL 117 HG13 VAL 117 -11.921 20.598 1.536 1014 HG21 VAL 117 HG21 VAL 117 -10.458 21.992 -0.017 1015 HG22 VAL 117 HG22 VAL 117 -10.404 21.618 -1.743 1016 HG23 VAL 117 HG23 VAL 117 -9.638 20.533 -0.582 1017 H LYS 118 H LYS 118 -12.315 16.793 -1.510 1018 HA LYS 118 HA LYS 118 -15.170 16.749 -2.051 1019 HB2 LYS 118 HB2 LYS 118 -13.119 14.977 -2.592 1020 HB3 LYS 118 HB3 LYS 118 -13.769 14.251 -1.139 1021 HG2 LYS 118 HG2 LYS 118 -14.784 13.175 -3.022 1022 HG3 LYS 118 HG3 LYS 118 -16.021 14.171 -2.252 1023 HD2 LYS 118 HD2 LYS 118 -16.160 14.382 -4.694 1024 HD3 LYS 118 HD3 LYS 118 -15.685 15.923 -3.979 1025 HE2 LYS 118 HE2 LYS 118 -13.297 15.378 -4.552 1026 HE3 LYS 118 HE3 LYS 118 -13.864 13.930 -5.385 1027 HZ1 LYS 118 HZ1 LYS 118 -14.667 16.707 -6.069 1028 HZ2 LYS 118 HZ2 LYS 118 -15.079 15.299 -6.916 1029 HZ3 LYS 118 HZ3 LYS 118 -13.469 15.819 -6.865 1030 H LYS 119 H LYS 119 -16.589 15.449 -0.564 1031 HA LYS 119 HA LYS 119 -16.005 15.921 2.303 1032 HB2 LYS 119 HB2 LYS 119 -18.230 16.983 0.629 1033 HB3 LYS 119 HB3 LYS 119 -18.793 16.212 2.099 1034 HG2 LYS 119 HG2 LYS 119 -16.750 18.453 1.993 1035 HG3 LYS 119 HG3 LYS 119 -18.466 18.662 2.337 1036 HD2 LYS 119 HD2 LYS 119 -16.412 17.169 4.022 1037 HD3 LYS 119 HD3 LYS 119 -17.241 18.670 4.434 1038 HE2 LYS 119 HE2 LYS 119 -19.429 17.286 4.356 1039 HE3 LYS 119 HE3 LYS 119 -18.374 15.865 4.322 1040 HZ1 LYS 119 HZ1 LYS 119 -18.317 17.931 6.424 1041 HZ2 LYS 119 HZ2 LYS 119 -17.456 16.476 6.397 1042 HZ3 LYS 119 HZ3 LYS 119 -19.140 16.459 6.543 1043 H TYR 120 H TYR 120 -16.292 14.169 3.542 1044 HA TYR 120 HA TYR 120 -17.862 11.871 2.593 1045 HB2 TYR 120 HB2 TYR 120 -16.207 12.181 5.134 1046 HB3 TYR 120 HB3 TYR 120 -17.006 10.704 4.606 1047 HD1 TYR 120 HD1 TYR 120 -16.161 10.990 1.582 1048 HD2 TYR 120 HD2 TYR 120 -14.003 11.263 5.261 1049 HE1 TYR 120 HE1 TYR 120 -14.093 10.282 0.440 1050 HE2 TYR 120 HE2 TYR 120 -11.963 10.550 4.127 1051 HH TYR 120 HH TYR 120 -11.614 10.508 0.794 1052 H ASP 121 H ASP 121 -19.939 12.617 2.737 1053 HA ASP 121 HA ASP 121 -21.087 13.715 5.147 1054 HB2 ASP 121 HB2 ASP 121 -22.459 12.520 2.688 1055 HB3 ASP 121 HB3 ASP 121 -23.256 13.455 3.951 1056 H LYS 122 H LYS 122 -20.374 10.570 3.920 1057 HA LYS 122 HA LYS 122 -21.904 9.095 5.901 1058 HB2 LYS 122 HB2 LYS 122 -20.685 7.123 5.010 1059 HB3 LYS 122 HB3 LYS 122 -21.416 8.057 3.714 1060 HG2 LYS 122 HG2 LYS 122 -19.227 9.034 3.152 1061 HG3 LYS 122 HG3 LYS 122 -18.480 8.166 4.492 1062 HD2 LYS 122 HD2 LYS 122 -17.996 6.988 2.429 1063 HD3 LYS 122 HD3 LYS 122 -19.093 6.006 3.402 1064 HE2 LYS 122 HE2 LYS 122 -20.995 6.744 2.002 1065 HE3 LYS 122 HE3 LYS 122 -19.909 7.751 1.043 1066 HZ1 LYS 122 HZ1 LYS 122 -20.358 5.664 -0.064 1067 HZ2 LYS 122 HZ2 LYS 122 -19.792 4.791 1.267 1068 HZ3 LYS 122 HZ3 LYS 122 -18.725 5.743 0.369 1069 HA PRO 123 HA PRO 123 -18.529 9.463 8.984 1070 HB2 PRO 123 HB2 PRO 123 -19.504 7.796 10.898 1071 HB3 PRO 123 HB3 PRO 123 -20.231 9.378 10.581 1072 HG2 PRO 123 HG2 PRO 123 -21.145 6.658 9.675 1073 HG3 PRO 123 HG3 PRO 123 -22.110 8.017 10.287 1074 HD2 PRO 123 HD2 PRO 123 -21.819 7.426 7.599 1075 HD3 PRO 123 HD3 PRO 123 -22.200 9.045 8.218 1076 H ILE 124 H ILE 124 -16.777 8.551 7.927 1077 HA ILE 124 HA ILE 124 -16.606 5.690 7.471 1078 HB ILE 124 HB ILE 124 -14.519 7.863 6.990 1079 HG12 ILE 124 HG12 ILE 124 -16.461 6.420 5.129 1080 HG13 ILE 124 HG13 ILE 124 -16.414 8.141 5.496 1081 HG21 ILE 124 HG21 ILE 124 -13.244 6.174 5.702 1082 HG22 ILE 124 HG22 ILE 124 -14.409 4.932 6.163 1083 HG23 ILE 124 HG23 ILE 124 -13.403 5.696 7.394 1084 HD11 ILE 124 HD11 ILE 124 -14.384 6.582 3.901 1085 HD12 ILE 124 HD12 ILE 124 -14.250 8.292 4.318 1086 HD13 ILE 124 HD13 ILE 124 -15.567 7.737 3.287 1087 H LYS 125 H LYS 125 -15.798 4.249 8.824 1088 HA LYS 125 HA LYS 125 -14.798 5.020 11.424 1089 HB2 LYS 125 HB2 LYS 125 -15.231 2.270 10.165 1090 HB3 LYS 125 HB3 LYS 125 -14.662 2.507 11.810 1091 HG2 LYS 125 HG2 LYS 125 -16.976 2.036 11.995 1092 HG3 LYS 125 HG3 LYS 125 -16.824 3.771 12.264 1093 HD2 LYS 125 HD2 LYS 125 -17.423 4.036 9.766 1094 HD3 LYS 125 HD3 LYS 125 -17.869 2.329 9.810 1095 HE2 LYS 125 HE2 LYS 125 -19.097 4.555 11.477 1096 HE3 LYS 125 HE3 LYS 125 -19.842 3.744 10.097 1097 HZ1 LYS 125 HZ1 LYS 125 -20.652 2.903 12.229 1098 HZ2 LYS 125 HZ2 LYS 125 -19.090 2.421 12.653 1099 HZ3 LYS 125 HZ3 LYS 125 -19.874 1.689 11.346 1100 HA PRO 126 HA PRO 126 -10.541 5.240 9.851 1101 HB2 PRO 126 HB2 PRO 126 -9.398 5.339 12.437 1102 HB3 PRO 126 HB3 PRO 126 -9.857 6.719 11.439 1103 HG2 PRO 126 HG2 PRO 126 -11.351 5.410 13.679 1104 HG3 PRO 126 HG3 PRO 126 -11.275 7.125 13.225 1105 HD2 PRO 126 HD2 PRO 126 -13.435 5.610 12.680 1106 HD3 PRO 126 HD3 PRO 126 -12.902 6.896 11.570 1107 H LYS 127 H LYS 127 -9.331 3.632 9.206 1108 HA LYS 127 HA LYS 127 -9.514 0.935 10.155 1109 HB2 LYS 127 HB2 LYS 127 -7.525 2.207 8.211 1110 HB3 LYS 127 HB3 LYS 127 -7.630 0.482 8.529 1111 HG2 LYS 127 HG2 LYS 127 -8.758 0.814 6.486 1112 HG3 LYS 127 HG3 LYS 127 -10.031 0.578 7.684 1113 HD2 LYS 127 HD2 LYS 127 -10.423 3.018 7.758 1114 HD3 LYS 127 HD3 LYS 127 -9.114 3.277 6.600 1115 HE2 LYS 127 HE2 LYS 127 -11.279 3.385 5.470 1116 HE3 LYS 127 HE3 LYS 127 -10.379 1.980 4.904 1117 HZ1 LYS 127 HZ1 LYS 127 -12.684 1.437 5.302 1118 HZ2 LYS 127 HZ2 LYS 127 -12.578 1.947 6.910 1119 HZ3 LYS 127 HZ3 LYS 127 -11.704 0.593 6.391 1120 H ARG 128 H ARG 128 -7.558 3.636 10.921 1121 HA ARG 128 HA ARG 128 -6.449 2.358 13.237 1122 HB2 ARG 128 HB2 ARG 128 -4.074 2.926 12.753 1123 HB3 ARG 128 HB3 ARG 128 -4.698 1.738 11.613 1124 HG2 ARG 128 HG2 ARG 128 -4.994 3.518 9.922 1125 HG3 ARG 128 HG3 ARG 128 -4.365 4.701 11.078 1126 HD2 ARG 128 HD2 ARG 128 -2.183 3.746 11.026 1127 HD3 ARG 128 HD3 ARG 128 -2.750 2.280 10.220 1128 HE ARG 128 HE ARG 128 -3.333 4.069 8.357 1129 HH11 ARG 128 HH11 ARG 128 -0.381 3.932 10.287 1130 HH12 ARG 128 HH12 ARG 128 0.626 4.473 8.984 1131 HH21 ARG 128 HH21 ARG 128 -1.995 4.757 6.680 1132 HH22 ARG 128 HH22 ARG 128 -0.297 4.956 6.945 1133 H LEU 129 H LEU 129 -5.264 4.006 14.553 1134 HA LEU 129 HA LEU 129 -6.760 6.431 14.723 1135 HB2 LEU 129 HB2 LEU 129 -5.533 6.937 16.719 1136 HB3 LEU 129 HB3 LEU 129 -5.882 5.220 16.741 1137 HG LEU 129 HG LEU 129 -3.167 6.381 15.984 1138 HD11 LEU 129 HD11 LEU 129 -4.027 5.257 18.666 1139 HD12 LEU 129 HD12 LEU 129 -3.672 6.948 18.299 1140 HD13 LEU 129 HD13 LEU 129 -2.389 5.745 18.212 1141 HD21 LEU 129 HD21 LEU 129 -3.937 3.524 16.673 1142 HD22 LEU 129 HD22 LEU 129 -2.302 4.114 16.346 1143 HD23 LEU 129 HD23 LEU 129 -3.517 4.138 15.071 1144 H VAL 130 H VAL 130 -6.233 8.454 14.058 1145 HA VAL 130 HA VAL 130 -3.663 8.880 12.653 1146 HB VAL 130 HB VAL 130 -6.249 10.437 12.217 1147 HG11 VAL 130 HG11 VAL 130 -4.246 11.750 11.682 1148 HG12 VAL 130 HG12 VAL 130 -5.116 11.341 10.202 1149 HG13 VAL 130 HG13 VAL 130 -3.646 10.457 10.637 1150 HG21 VAL 130 HG21 VAL 130 -6.560 8.116 11.449 1151 HG22 VAL 130 HG22 VAL 130 -5.091 8.222 10.475 1152 HG23 VAL 130 HG23 VAL 130 -6.491 9.220 10.071 1153 HA PRO 131 HA PRO 131 -3.178 11.527 16.411 1154 HB2 PRO 131 HB2 PRO 131 -0.282 11.296 15.780 1155 HB3 PRO 131 HB3 PRO 131 -1.145 10.811 17.241 1156 HG2 PRO 131 HG2 PRO 131 -0.140 8.985 15.533 1157 HG3 PRO 131 HG3 PRO 131 -1.670 8.706 16.398 1158 HD2 PRO 131 HD2 PRO 131 -1.258 9.681 13.559 1159 HD3 PRO 131 HD3 PRO 131 -2.334 8.396 14.159 1160 H VAL 132 H VAL 132 -1.584 13.498 16.694 1161 HA VAL 132 HA VAL 132 -2.324 15.507 14.872 1162 HB VAL 132 HB VAL 132 0.003 15.604 16.860 1163 HG11 VAL 132 HG11 VAL 132 -1.567 17.905 15.614 1164 HG12 VAL 132 HG12 VAL 132 0.105 17.469 15.248 1165 HG13 VAL 132 HG13 VAL 132 -0.321 18.064 16.853 1166 HG21 VAL 132 HG21 VAL 132 -1.609 16.573 18.472 1167 HG22 VAL 132 HG22 VAL 132 -2.101 14.950 17.984 1168 HG23 VAL 132 HG23 VAL 132 -2.919 16.361 17.308 1169 H GLY 133 H GLY 133 0.559 13.507 15.067 1170 HA2 GLY 133 HA2 GLY 133 2.169 14.736 13.092 1171 HA3 GLY 133 HA3 GLY 133 2.279 13.067 13.629 1172 H GLY 134 H GLY 134 -0.544 12.540 12.830 1173 HA2 GLY 134 HA2 GLY 134 -1.902 12.153 11.016 1174 HA3 GLY 134 HA3 GLY 134 -0.791 13.030 9.987 1175 H GLN 135 H GLN 135 -1.980 10.723 9.051 1176 HA GLN 135 HA GLN 135 0.107 8.602 9.136 1177 HB2 GLN 135 HB2 GLN 135 -2.897 8.221 8.700 1178 HB3 GLN 135 HB3 GLN 135 -1.691 6.937 8.716 1179 HG2 GLN 135 HG2 GLN 135 -2.392 8.691 11.084 1180 HG3 GLN 135 HG3 GLN 135 -3.056 7.088 10.788 1181 HE21 GLN 135 HE21 GLN 135 -0.228 8.893 11.747 1182 HE22 GLN 135 HE22 GLN 135 0.654 7.557 12.368 1183 H TYR 136 H TYR 136 0.702 7.682 7.178 1184 HA TYR 136 HA TYR 136 -0.008 9.038 4.709 1185 HB2 TYR 136 HB2 TYR 136 2.026 6.903 5.404 1186 HB3 TYR 136 HB3 TYR 136 1.592 7.187 3.722 1187 HD1 TYR 136 HD1 TYR 136 1.415 9.998 3.335 1188 HD2 TYR 136 HD2 TYR 136 4.127 7.870 5.880 1189 HE1 TYR 136 HE1 TYR 136 3.027 11.849 3.176 1190 HE2 TYR 136 HE2 TYR 136 5.732 9.720 5.704 1191 HH TYR 136 HH TYR 136 6.227 11.523 4.000 1192 H LEU 137 H LEU 137 -1.893 8.526 3.853 1193 HA LEU 137 HA LEU 137 -3.042 5.874 3.895 1194 HB2 LEU 137 HB2 LEU 137 -4.146 8.349 3.612 1195 HB3 LEU 137 HB3 LEU 137 -3.966 7.950 1.921 1196 HG LEU 137 HG LEU 137 -5.704 6.585 4.000 1197 HD11 LEU 137 HD11 LEU 137 -6.625 8.565 2.928 1198 HD12 LEU 137 HD12 LEU 137 -7.521 7.121 2.460 1199 HD13 LEU 137 HD13 LEU 137 -6.370 7.852 1.333 1200 HD21 LEU 137 HD21 LEU 137 -4.673 4.744 2.772 1201 HD22 LEU 137 HD22 LEU 137 -5.111 5.479 1.230 1202 HD23 LEU 137 HD23 LEU 137 -6.369 4.899 2.323 1203 H ARG 138 H ARG 138 -2.302 4.301 2.555 1204 HA ARG 138 HA ARG 138 -1.275 5.000 -0.123 1205 HB2 ARG 138 HB2 ARG 138 0.606 3.542 0.012 1206 HB3 ARG 138 HB3 ARG 138 0.644 4.466 1.502 1207 HG2 ARG 138 HG2 ARG 138 -0.343 1.601 1.235 1208 HG3 ARG 138 HG3 ARG 138 1.268 2.078 1.778 1209 HD2 ARG 138 HD2 ARG 138 0.350 3.145 3.756 1210 HD3 ARG 138 HD3 ARG 138 -1.304 2.879 3.194 1211 HE ARG 138 HE ARG 138 0.571 0.825 4.186 1212 HH11 ARG 138 HH11 ARG 138 -2.704 1.634 3.170 1213 HH12 ARG 138 HH12 ARG 138 -3.395 0.210 3.865 1214 HH21 ARG 138 HH21 ARG 138 -0.344 -1.058 5.054 1215 HH22 ARG 138 HH22 ARG 138 -2.053 -1.329 4.935 1216 H GLU 139 H GLU 139 -1.970 3.697 -1.778 1217 HA GLU 139 HA GLU 139 -4.075 1.782 -1.147 1218 HB2 GLU 139 HB2 GLU 139 -4.228 3.495 -3.003 1219 HB3 GLU 139 HB3 GLU 139 -3.000 2.595 -3.885 1220 HG2 GLU 139 HG2 GLU 139 -4.499 0.631 -3.940 1221 HG3 GLU 139 HG3 GLU 139 -5.718 1.541 -3.055 Start of MODEL 2 1 H MET 1 H MET 1 0.703 -0.992 -0.208 2 HA MET 1 HA MET 1 3.061 -0.865 -0.649 3 HB2 MET 1 HB2 MET 1 1.190 -0.100 -2.905 4 HB3 MET 1 HB3 MET 1 2.849 -0.572 -3.166 5 HG2 MET 1 HG2 MET 1 1.361 -2.438 -3.605 6 HG3 MET 1 HG3 MET 1 2.376 -2.794 -2.206 7 HE1 MET 1 HE1 MET 1 0.643 -4.832 -1.659 8 HE2 MET 1 HE2 MET 1 -0.356 -4.362 -3.035 9 HE3 MET 1 HE3 MET 1 -1.088 -4.579 -1.444 10 H SER 2 H SER 2 4.724 0.299 -1.978 11 HA SER 2 HA SER 2 5.231 2.840 -0.819 12 HB2 SER 2 HB2 SER 2 6.703 1.415 -3.069 13 HB3 SER 2 HB3 SER 2 7.344 2.737 -2.085 14 HG SER 2 HG SER 2 7.997 1.199 -0.831 15 H LYS 3 H LYS 3 3.435 2.084 -3.608 16 HA LYS 3 HA LYS 3 3.926 4.275 -5.311 17 HB2 LYS 3 HB2 LYS 3 1.670 3.844 -6.238 18 HB3 LYS 3 HB3 LYS 3 2.588 2.354 -6.048 19 HG2 LYS 3 HG2 LYS 3 1.274 1.676 -4.160 20 HG3 LYS 3 HG3 LYS 3 0.531 3.273 -4.004 21 HD2 LYS 3 HD2 LYS 3 0.120 1.464 -6.424 22 HD3 LYS 3 HD3 LYS 3 -0.945 1.473 -5.018 23 HE2 LYS 3 HE2 LYS 3 -1.976 2.870 -6.665 24 HE3 LYS 3 HE3 LYS 3 -1.322 3.937 -5.432 25 HZ1 LYS 3 HZ1 LYS 3 0.485 4.506 -6.862 26 HZ2 LYS 3 HZ2 LYS 3 -0.961 4.720 -7.709 27 HZ3 LYS 3 HZ3 LYS 3 0.009 3.370 -8.021 28 H ILE 4 H ILE 4 2.248 4.068 -2.280 29 HA ILE 4 HA ILE 4 1.152 5.476 -0.922 30 HB ILE 4 HB ILE 4 2.187 7.801 -2.625 31 HG12 ILE 4 HG12 ILE 4 4.096 6.359 -2.026 32 HG13 ILE 4 HG13 ILE 4 4.180 7.862 -1.116 33 HG21 ILE 4 HG21 ILE 4 1.402 7.722 0.321 34 HG22 ILE 4 HG22 ILE 4 0.566 8.587 -0.969 35 HG23 ILE 4 HG23 ILE 4 2.178 9.096 -0.476 36 HD11 ILE 4 HD11 ILE 4 3.284 6.683 0.863 37 HD12 ILE 4 HD12 ILE 4 4.789 5.982 0.269 38 HD13 ILE 4 HD13 ILE 4 3.255 5.184 -0.071 39 H VAL 5 H VAL 5 -0.720 7.327 -1.041 40 HA VAL 5 HA VAL 5 -1.802 7.767 -3.719 41 HB VAL 5 HB VAL 5 -4.220 7.741 -2.679 42 HG11 VAL 5 HG11 VAL 5 -2.857 5.115 -3.352 43 HG12 VAL 5 HG12 VAL 5 -3.580 6.251 -4.496 44 HG13 VAL 5 HG13 VAL 5 -4.607 5.400 -3.342 45 HG21 VAL 5 HG21 VAL 5 -2.898 5.777 -0.780 46 HG22 VAL 5 HG22 VAL 5 -4.636 6.050 -0.937 47 HG23 VAL 5 HG23 VAL 5 -3.591 7.340 -0.339 48 H GLY 6 H GLY 6 -1.865 8.557 -0.259 49 HA2 GLY 6 HA2 GLY 6 -1.239 11.307 -0.744 50 HA3 GLY 6 HA3 GLY 6 -2.916 11.082 -0.249 51 H VAL 7 H VAL 7 -2.200 12.467 1.519 52 HA VAL 7 HA VAL 7 -1.207 10.840 3.794 53 HB VAL 7 HB VAL 7 0.289 12.814 3.083 54 HG11 VAL 7 HG11 VAL 7 -0.345 15.088 3.787 55 HG12 VAL 7 HG12 VAL 7 -1.944 14.509 4.254 56 HG13 VAL 7 HG13 VAL 7 -1.451 14.465 2.559 57 HG21 VAL 7 HG21 VAL 7 0.549 11.785 5.296 58 HG22 VAL 7 HG22 VAL 7 -0.722 12.819 5.953 59 HG23 VAL 7 HG23 VAL 7 0.797 13.532 5.403 60 H THR 8 H THR 8 -2.251 11.456 5.879 61 HA THR 8 HA THR 8 -4.852 12.807 5.653 62 HB THR 8 HB THR 8 -5.491 10.490 5.425 63 HG1 THR 8 HG1 THR 8 -6.701 11.867 6.938 64 HG21 THR 8 HG21 THR 8 -3.937 9.883 7.965 65 HG22 THR 8 HG22 THR 8 -3.504 9.366 6.334 66 HG23 THR 8 HG23 THR 8 -4.972 8.747 7.093 67 H TYR 9 H TYR 9 -5.431 13.990 7.408 68 HA TYR 9 HA TYR 9 -3.819 13.875 9.873 69 HB2 TYR 9 HB2 TYR 9 -4.132 16.250 8.028 70 HB3 TYR 9 HB3 TYR 9 -4.103 16.563 9.758 71 HD1 TYR 9 HD1 TYR 9 -2.085 15.312 6.892 72 HD2 TYR 9 HD2 TYR 9 -2.061 16.351 11.038 73 HE1 TYR 9 HE1 TYR 9 0.376 15.260 6.894 74 HE2 TYR 9 HE2 TYR 9 0.394 16.299 11.038 75 HH TYR 9 HH TYR 9 2.204 15.201 9.716 76 HA PRO 10 HA PRO 10 -7.876 14.607 11.776 77 HB2 PRO 10 HB2 PRO 10 -7.129 15.082 14.326 78 HB3 PRO 10 HB3 PRO 10 -6.929 13.478 13.604 79 HG2 PRO 10 HG2 PRO 10 -4.866 15.658 13.960 80 HG3 PRO 10 HG3 PRO 10 -4.725 13.924 14.319 81 HD2 PRO 10 HD2 PRO 10 -3.781 15.063 12.005 82 HD3 PRO 10 HD3 PRO 10 -4.323 13.373 12.106 83 H ILE 11 H ILE 11 -5.431 16.904 11.323 84 HA ILE 11 HA ILE 11 -5.145 19.109 11.338 85 HB ILE 11 HB ILE 11 -8.178 19.343 11.276 86 HG12 ILE 11 HG12 ILE 11 -7.325 17.896 9.430 87 HG13 ILE 11 HG13 ILE 11 -8.005 19.397 8.816 88 HG21 ILE 11 HG21 ILE 11 -6.045 21.343 10.423 89 HG22 ILE 11 HG22 ILE 11 -7.113 21.490 11.821 90 HG23 ILE 11 HG23 ILE 11 -7.782 21.546 10.190 91 HD11 ILE 11 HD11 ILE 11 -6.002 18.776 7.615 92 HD12 ILE 11 HD12 ILE 11 -5.067 18.761 9.109 93 HD13 ILE 11 HD13 ILE 11 -5.734 20.278 8.497 94 HA PRO 12 HA PRO 12 -5.630 19.668 15.894 95 HB2 PRO 12 HB2 PRO 12 -3.136 20.488 16.454 96 HB3 PRO 12 HB3 PRO 12 -3.436 18.808 15.979 97 HG2 PRO 12 HG2 PRO 12 -2.451 21.107 14.280 98 HG3 PRO 12 HG3 PRO 12 -1.801 19.458 14.401 99 HD2 PRO 12 HD2 PRO 12 -3.524 20.262 12.397 100 HD3 PRO 12 HD3 PRO 12 -3.408 18.583 12.970 101 H LYS 13 H LYS 13 -6.494 21.633 13.853 102 HA LYS 13 HA LYS 13 -6.267 24.096 15.438 103 HB2 LYS 13 HB2 LYS 13 -5.606 23.814 12.489 104 HB3 LYS 13 HB3 LYS 13 -6.274 25.329 13.086 105 HG2 LYS 13 HG2 LYS 13 -3.692 24.043 14.060 106 HG3 LYS 13 HG3 LYS 13 -3.816 25.415 12.948 107 HD2 LYS 13 HD2 LYS 13 -5.050 26.661 14.768 108 HD3 LYS 13 HD3 LYS 13 -4.690 25.329 15.863 109 HE2 LYS 13 HE2 LYS 13 -2.292 25.788 15.659 110 HE3 LYS 13 HE3 LYS 13 -2.611 27.055 14.467 111 HZ1 LYS 13 HZ1 LYS 13 -3.412 27.049 17.327 112 HZ2 LYS 13 HZ2 LYS 13 -3.939 28.203 16.207 113 HZ3 LYS 13 HZ3 LYS 13 -2.291 28.078 16.580 114 H ARG 14 H ARG 14 -7.943 25.699 14.821 115 HA ARG 14 HA ARG 14 -10.517 24.384 14.923 116 HB2 ARG 14 HB2 ARG 14 -9.949 27.379 14.944 117 HB3 ARG 14 HB3 ARG 14 -11.429 26.588 15.458 118 HG2 ARG 14 HG2 ARG 14 -10.412 27.155 17.492 119 HG3 ARG 14 HG3 ARG 14 -9.936 25.468 17.301 120 HD2 ARG 14 HD2 ARG 14 -7.736 26.212 16.422 121 HD3 ARG 14 HD3 ARG 14 -8.230 27.894 16.635 122 HE ARG 14 HE ARG 14 -8.201 26.157 19.006 123 HH11 ARG 14 HH11 ARG 14 -6.660 28.764 17.235 124 HH12 ARG 14 HH12 ARG 14 -5.651 29.222 18.563 125 HH21 ARG 14 HH21 ARG 14 -6.817 26.774 20.733 126 HH22 ARG 14 HH22 ARG 14 -5.715 28.097 20.512 127 H PHE 15 H PHE 15 -8.577 25.749 12.495 128 HA PHE 15 HA PHE 15 -10.728 26.436 10.644 129 HB2 PHE 15 HB2 PHE 15 -7.710 26.682 10.571 130 HB3 PHE 15 HB3 PHE 15 -8.701 27.008 9.155 131 HD1 PHE 15 HD1 PHE 15 -10.875 28.615 9.825 132 HD2 PHE 15 HD2 PHE 15 -7.039 28.602 11.706 133 HE1 PHE 15 HE1 PHE 15 -11.207 30.949 10.534 134 HE2 PHE 15 HE2 PHE 15 -7.364 30.920 12.390 135 HZ PHE 15 HZ PHE 15 -9.447 32.112 11.814 136 H MET 16 H MET 16 -10.234 23.610 11.501 137 HA MET 16 HA MET 16 -9.592 21.980 9.318 138 HB2 MET 16 HB2 MET 16 -11.338 20.398 10.372 139 HB3 MET 16 HB3 MET 16 -10.004 20.912 11.392 140 HG2 MET 16 HG2 MET 16 -12.062 20.932 12.670 141 HG3 MET 16 HG3 MET 16 -11.478 22.585 12.479 142 HE1 MET 16 HE1 MET 16 -15.240 23.443 12.383 143 HE2 MET 16 HE2 MET 16 -13.641 23.902 12.969 144 HE3 MET 16 HE3 MET 16 -14.380 22.393 13.506 145 H ASP 17 H ASP 17 -12.199 24.169 9.720 146 HA ASP 17 HA ASP 17 -14.101 22.993 7.929 147 HB2 ASP 17 HB2 ASP 17 -14.748 24.399 9.880 148 HB3 ASP 17 HB3 ASP 17 -13.970 25.786 9.127 149 H ARG 18 H ARG 18 -11.450 25.185 7.582 150 HA ARG 18 HA ARG 18 -12.168 26.897 5.539 151 HB2 ARG 18 HB2 ARG 18 -9.526 25.704 6.397 152 HB3 ARG 18 HB3 ARG 18 -9.588 26.785 5.011 153 HG2 ARG 18 HG2 ARG 18 -10.492 27.477 7.818 154 HG3 ARG 18 HG3 ARG 18 -8.979 27.973 7.055 155 HD2 ARG 18 HD2 ARG 18 -10.742 28.905 5.192 156 HD3 ARG 18 HD3 ARG 18 -11.753 28.997 6.634 157 HE ARG 18 HE ARG 18 -10.541 30.799 7.307 158 HH11 ARG 18 HH11 ARG 18 -8.521 28.965 5.069 159 HH12 ARG 18 HH12 ARG 18 -7.310 30.198 4.975 160 HH21 ARG 18 HH21 ARG 18 -8.944 32.416 7.126 161 HH22 ARG 18 HH22 ARG 18 -7.551 32.146 6.133 162 H PHE 19 H PHE 19 -10.689 23.697 5.153 163 HA PHE 19 HA PHE 19 -10.375 23.768 2.349 164 HB2 PHE 19 HB2 PHE 19 -10.689 21.322 4.143 165 HB3 PHE 19 HB3 PHE 19 -9.988 21.328 2.529 166 HD1 PHE 19 HD1 PHE 19 -9.415 22.168 6.078 167 HD2 PHE 19 HD2 PHE 19 -7.718 22.181 2.150 168 HE1 PHE 19 HE1 PHE 19 -7.179 22.533 7.039 169 HE2 PHE 19 HE2 PHE 19 -5.491 22.543 3.119 170 HZ PHE 19 HZ PHE 19 -5.217 22.723 5.560 171 H PHE 20 H PHE 20 -13.096 22.995 4.404 172 HA PHE 20 HA PHE 20 -14.681 21.814 2.214 173 HB2 PHE 20 HB2 PHE 20 -15.254 22.066 5.206 174 HB3 PHE 20 HB3 PHE 20 -16.253 21.191 4.044 175 HD1 PHE 20 HD1 PHE 20 -15.301 19.195 2.853 176 HD2 PHE 20 HD2 PHE 20 -13.286 21.019 6.146 177 HE1 PHE 20 HE1 PHE 20 -13.937 17.192 3.115 178 HE2 PHE 20 HE2 PHE 20 -11.908 18.996 6.404 179 HZ PHE 20 HZ PHE 20 -12.236 17.080 4.888 180 H LYS 21 H LYS 21 -14.191 24.795 3.738 181 HA LYS 21 HA LYS 21 -16.818 25.940 3.451 182 HB2 LYS 21 HB2 LYS 21 -15.137 26.682 5.146 183 HB3 LYS 21 HB3 LYS 21 -14.085 27.253 3.865 184 HG2 LYS 21 HG2 LYS 21 -16.869 28.391 4.211 185 HG3 LYS 21 HG3 LYS 21 -15.533 28.954 5.212 186 HD2 LYS 21 HD2 LYS 21 -14.292 29.602 3.141 187 HD3 LYS 21 HD3 LYS 21 -15.681 29.107 2.171 188 HE2 LYS 21 HE2 LYS 21 -17.066 30.815 3.339 189 HE3 LYS 21 HE3 LYS 21 -15.638 31.334 4.237 190 HZ1 LYS 21 HZ1 LYS 21 -14.594 31.951 2.165 191 HZ2 LYS 21 HZ2 LYS 21 -16.080 32.741 2.324 192 HZ3 LYS 21 HZ3 LYS 21 -15.934 31.416 1.287 193 H LYS 22 H LYS 22 -13.730 26.109 1.691 194 HA LYS 22 HA LYS 22 -15.037 27.603 -0.520 195 HB2 LYS 22 HB2 LYS 22 -12.772 28.462 -1.013 196 HB3 LYS 22 HB3 LYS 22 -13.279 28.829 0.632 197 HG2 LYS 22 HG2 LYS 22 -11.935 26.738 1.330 198 HG3 LYS 22 HG3 LYS 22 -11.240 26.794 -0.288 199 HD2 LYS 22 HD2 LYS 22 -9.718 27.899 1.211 200 HD3 LYS 22 HD3 LYS 22 -10.455 29.139 0.194 201 HE2 LYS 22 HE2 LYS 22 -11.945 29.788 2.026 202 HE3 LYS 22 HE3 LYS 22 -11.333 28.473 3.033 203 HZ1 LYS 22 HZ1 LYS 22 -9.785 30.814 2.064 204 HZ2 LYS 22 HZ2 LYS 22 -9.136 29.523 2.946 205 HZ3 LYS 22 HZ3 LYS 22 -10.303 30.528 3.648 206 H GLY 23 H GLY 23 -13.592 24.578 0.237 207 HA2 GLY 23 HA2 GLY 23 -13.315 22.676 -1.015 208 HA3 GLY 23 HA3 GLY 23 -14.037 23.504 -2.382 209 H LYS 24 H LYS 24 -11.391 25.203 -1.114 210 HA LYS 24 HA LYS 24 -9.226 23.917 -2.455 211 HB2 LYS 24 HB2 LYS 24 -8.794 25.771 -4.120 212 HB3 LYS 24 HB3 LYS 24 -10.198 24.778 -4.487 213 HG2 LYS 24 HG2 LYS 24 -11.713 26.508 -3.699 214 HG3 LYS 24 HG3 LYS 24 -10.360 27.486 -3.124 215 HD2 LYS 24 HD2 LYS 24 -9.564 27.725 -5.470 216 HD3 LYS 24 HD3 LYS 24 -10.960 26.793 -6.023 217 HE2 LYS 24 HE2 LYS 24 -12.470 28.528 -5.137 218 HE3 LYS 24 HE3 LYS 24 -11.082 29.452 -4.557 219 HZ1 LYS 24 HZ1 LYS 24 -11.793 30.364 -6.608 220 HZ2 LYS 24 HZ2 LYS 24 -11.791 28.858 -7.375 221 HZ3 LYS 24 HZ3 LYS 24 -10.329 29.568 -6.900 222 H ASP 25 H ASP 25 -8.073 24.142 -0.602 223 HA ASP 25 HA ASP 25 -7.435 26.849 0.419 224 HB2 ASP 25 HB2 ASP 25 -9.341 25.763 1.696 225 HB3 ASP 25 HB3 ASP 25 -8.249 24.468 2.140 226 H VAL 26 H VAL 26 -5.560 26.183 2.393 227 HA VAL 26 HA VAL 26 -3.561 24.494 1.015 228 HB VAL 26 HB VAL 26 -3.107 27.414 1.815 229 HG11 VAL 26 HG11 VAL 26 -0.759 27.153 1.041 230 HG12 VAL 26 HG12 VAL 26 -1.027 25.421 0.832 231 HG13 VAL 26 HG13 VAL 26 -1.106 26.136 2.443 232 HG21 VAL 26 HG21 VAL 26 -2.550 27.775 -0.570 233 HG22 VAL 26 HG22 VAL 26 -4.203 27.185 -0.370 234 HG23 VAL 26 HG23 VAL 26 -2.933 26.083 -0.911 235 H PHE 27 H PHE 27 -2.716 23.129 2.461 236 HA PHE 27 HA PHE 27 -2.811 23.689 5.343 237 HB2 PHE 27 HB2 PHE 27 -3.678 21.498 4.554 238 HB3 PHE 27 HB3 PHE 27 -2.114 21.121 3.846 239 HD1 PHE 27 HD1 PHE 27 -3.866 21.731 7.080 240 HD2 PHE 27 HD2 PHE 27 -0.383 20.133 5.184 241 HE1 PHE 27 HE1 PHE 27 -3.169 20.713 9.204 242 HE2 PHE 27 HE2 PHE 27 0.304 19.118 7.309 243 HZ PHE 27 HZ PHE 27 -1.085 19.406 9.324 244 H VAL 28 H VAL 28 -1.017 24.656 6.219 245 HA VAL 28 HA VAL 28 1.634 24.220 5.004 246 HB VAL 28 HB VAL 28 2.421 26.088 6.492 247 HG11 VAL 28 HG11 VAL 28 0.091 26.768 4.643 248 HG12 VAL 28 HG12 VAL 28 1.781 26.563 4.168 249 HG13 VAL 28 HG13 VAL 28 1.315 27.914 5.203 250 HG21 VAL 28 HG21 VAL 28 -0.535 26.394 7.193 251 HG22 VAL 28 HG22 VAL 28 0.752 27.533 7.619 252 HG23 VAL 28 HG23 VAL 28 0.756 25.906 8.299 253 H LYS 29 H LYS 29 3.345 23.388 6.085 254 HA LYS 29 HA LYS 29 3.084 22.408 8.850 255 HB2 LYS 29 HB2 LYS 29 2.581 20.533 7.267 256 HB3 LYS 29 HB3 LYS 29 4.137 20.785 6.482 257 HG2 LYS 29 HG2 LYS 29 4.370 18.913 7.952 258 HG3 LYS 29 HG3 LYS 29 5.257 20.253 8.666 259 HD2 LYS 29 HD2 LYS 29 4.027 19.044 10.397 260 HD3 LYS 29 HD3 LYS 29 3.369 20.669 10.226 261 HE2 LYS 29 HE2 LYS 29 1.508 19.753 8.879 262 HE3 LYS 29 HE3 LYS 29 2.170 18.128 9.080 263 HZ1 LYS 29 HZ1 LYS 29 1.258 19.896 11.280 264 HZ2 LYS 29 HZ2 LYS 29 1.844 18.319 11.448 265 HZ3 LYS 29 HZ3 LYS 29 0.389 18.595 10.638 266 HA PRO 30 HA PRO 30 7.448 23.964 8.901 267 HB2 PRO 30 HB2 PRO 30 8.130 23.090 11.420 268 HB3 PRO 30 HB3 PRO 30 7.156 24.540 11.136 269 HG2 PRO 30 HG2 PRO 30 6.240 21.747 11.831 270 HG3 PRO 30 HG3 PRO 30 5.725 23.298 12.536 271 HD2 PRO 30 HD2 PRO 30 4.239 22.050 10.654 272 HD3 PRO 30 HD3 PRO 30 4.351 23.824 10.703 273 H ALA 31 H ALA 31 7.233 21.905 7.241 274 HA ALA 31 HA ALA 31 8.218 20.106 6.268 275 HB1 ALA 31 HB1 ALA 31 10.630 21.097 7.825 276 HB2 ALA 31 HB2 ALA 31 10.053 21.756 6.293 277 HB3 ALA 31 HB3 ALA 31 10.667 20.103 6.366 278 H THR 32 H THR 32 6.838 19.335 8.654 279 HA THR 32 HA THR 32 8.465 17.397 10.098 280 HB THR 32 HB THR 32 5.465 17.809 10.411 281 HG1 THR 32 HG1 THR 32 7.412 19.642 10.795 282 HG21 THR 32 HG21 THR 32 6.466 15.917 11.691 283 HG22 THR 32 HG22 THR 32 5.862 17.189 12.752 284 HG23 THR 32 HG23 THR 32 7.595 17.044 12.453 285 H VAL 33 H VAL 33 6.440 17.430 7.327 286 HA VAL 33 HA VAL 33 5.630 14.629 7.465 287 HB VAL 33 HB VAL 33 5.205 16.432 5.046 288 HG11 VAL 33 HG11 VAL 33 4.660 14.057 4.781 289 HG12 VAL 33 HG12 VAL 33 3.206 15.051 4.699 290 HG13 VAL 33 HG13 VAL 33 3.567 14.139 6.166 291 HG21 VAL 33 HG21 VAL 33 4.384 17.738 6.948 292 HG22 VAL 33 HG22 VAL 33 3.400 16.378 7.485 293 HG23 VAL 33 HG23 VAL 33 3.042 17.177 5.952 294 H TRP 34 H TRP 34 6.307 13.056 5.892 295 HA TRP 34 HA TRP 34 9.070 13.143 5.178 296 HB2 TRP 34 HB2 TRP 34 6.943 11.137 4.350 297 HB3 TRP 34 HB3 TRP 34 8.674 10.917 4.146 298 HD1 TRP 34 HD1 TRP 34 9.096 12.123 7.345 299 HE1 TRP 34 HE1 TRP 34 8.771 10.366 9.195 300 HE3 TRP 34 HE3 TRP 34 6.489 8.609 4.690 301 HZ2 TRP 34 HZ2 TRP 34 7.574 7.837 9.497 302 HZ3 TRP 34 HZ3 TRP 34 5.791 6.542 5.836 303 HH2 TRP 34 HH2 TRP 34 6.326 6.163 8.195 304 H LYS 35 H LYS 35 9.675 12.246 2.900 305 HA LYS 35 HA LYS 35 9.178 14.385 1.044 306 HB2 LYS 35 HB2 LYS 35 10.865 11.874 0.753 307 HB3 LYS 35 HB3 LYS 35 10.928 13.274 -0.316 308 HG2 LYS 35 HG2 LYS 35 11.783 14.669 1.511 309 HG3 LYS 35 HG3 LYS 35 11.625 13.327 2.647 310 HD2 LYS 35 HD2 LYS 35 13.959 13.577 1.970 311 HD3 LYS 35 HD3 LYS 35 13.325 12.052 1.353 312 HE2 LYS 35 HE2 LYS 35 12.983 13.148 -0.872 313 HE3 LYS 35 HE3 LYS 35 13.712 14.621 -0.231 314 HZ1 LYS 35 HZ1 LYS 35 15.325 13.384 -1.453 315 HZ2 LYS 35 HZ2 LYS 35 15.022 11.982 -0.559 316 HZ3 LYS 35 HZ3 LYS 35 15.744 13.319 0.186 317 H GLU 36 H GLU 36 7.461 11.583 1.605 318 HA GLU 36 HA GLU 36 6.688 10.729 -0.996 319 HB2 GLU 36 HB2 GLU 36 5.391 10.521 1.740 320 HB3 GLU 36 HB3 GLU 36 4.547 9.946 0.312 321 HG2 GLU 36 HG2 GLU 36 5.733 8.189 1.647 322 HG3 GLU 36 HG3 GLU 36 6.122 8.229 -0.062 323 H LEU 37 H LEU 37 5.831 13.524 0.904 324 HA LEU 37 HA LEU 37 3.330 14.140 -0.246 325 HB2 LEU 37 HB2 LEU 37 4.808 15.202 1.838 326 HB3 LEU 37 HB3 LEU 37 4.965 16.468 0.642 327 HG LEU 37 HG LEU 37 3.106 17.040 2.051 328 HD11 LEU 37 HD11 LEU 37 2.761 17.469 -0.363 329 HD12 LEU 37 HD12 LEU 37 1.261 17.230 0.528 330 HD13 LEU 37 HD13 LEU 37 1.890 15.930 -0.491 331 HD21 LEU 37 HD21 LEU 37 1.201 15.596 2.472 332 HD22 LEU 37 HD22 LEU 37 2.688 14.803 2.983 333 HD23 LEU 37 HD23 LEU 37 1.910 14.318 1.478 334 H LYS 38 H LYS 38 3.151 14.224 -2.411 335 HA LYS 38 HA LYS 38 4.832 16.134 -3.910 336 HB2 LYS 38 HB2 LYS 38 5.028 14.624 -5.780 337 HB3 LYS 38 HB3 LYS 38 5.550 13.769 -4.348 338 HG2 LYS 38 HG2 LYS 38 4.297 12.098 -5.318 339 HG3 LYS 38 HG3 LYS 38 3.031 12.869 -4.363 340 HD2 LYS 38 HD2 LYS 38 2.217 12.409 -6.629 341 HD3 LYS 38 HD3 LYS 38 2.293 14.141 -6.351 342 HE2 LYS 38 HE2 LYS 38 4.391 14.273 -7.625 343 HE3 LYS 38 HE3 LYS 38 4.368 12.525 -7.872 344 HZ1 LYS 38 HZ1 LYS 38 3.546 13.745 -9.793 345 HZ2 LYS 38 HZ2 LYS 38 2.305 14.421 -8.864 346 HZ3 LYS 38 HZ3 LYS 38 2.345 12.752 -9.142 347 HA PRO 39 HA PRO 39 0.888 17.777 -5.311 348 HB2 PRO 39 HB2 PRO 39 1.609 18.910 -7.708 349 HB3 PRO 39 HB3 PRO 39 2.055 19.609 -6.144 350 HG2 PRO 39 HG2 PRO 39 3.699 17.900 -7.996 351 HG3 PRO 39 HG3 PRO 39 4.178 19.360 -7.106 352 HD2 PRO 39 HD2 PRO 39 4.791 16.836 -6.249 353 HD3 PRO 39 HD3 PRO 39 4.514 18.189 -5.118 354 H GLY 40 H GLY 40 -0.522 16.195 -5.775 355 HA2 GLY 40 HA2 GLY 40 -1.604 15.402 -8.033 356 HA3 GLY 40 HA3 GLY 40 -0.175 14.371 -8.063 357 H MET 41 H MET 41 -0.504 14.511 -4.950 358 HA MET 41 HA MET 41 -1.895 11.995 -4.722 359 HB2 MET 41 HB2 MET 41 -0.587 13.778 -2.627 360 HB3 MET 41 HB3 MET 41 -1.267 12.193 -2.297 361 HG2 MET 41 HG2 MET 41 0.399 11.352 -4.117 362 HG3 MET 41 HG3 MET 41 1.219 12.886 -3.833 363 HE1 MET 41 HE1 MET 41 0.220 12.915 -0.521 364 HE2 MET 41 HE2 MET 41 1.725 13.624 -1.111 365 HE3 MET 41 HE3 MET 41 1.762 12.416 0.174 366 H LYS 42 H LYS 42 -3.224 11.917 -2.465 367 HA LYS 42 HA LYS 42 -5.331 13.996 -2.514 368 HB2 LYS 42 HB2 LYS 42 -6.700 12.222 -1.265 369 HB3 LYS 42 HB3 LYS 42 -6.445 11.973 -2.983 370 HG2 LYS 42 HG2 LYS 42 -4.823 10.251 -2.564 371 HG3 LYS 42 HG3 LYS 42 -4.785 10.627 -0.845 372 HD2 LYS 42 HD2 LYS 42 -6.098 8.542 -1.455 373 HD3 LYS 42 HD3 LYS 42 -6.993 9.735 -0.502 374 HE2 LYS 42 HE2 LYS 42 -8.100 10.545 -2.564 375 HE3 LYS 42 HE3 LYS 42 -7.199 9.368 -3.512 376 HZ1 LYS 42 HZ1 LYS 42 -8.305 7.608 -2.237 377 HZ2 LYS 42 HZ2 LYS 42 -9.414 8.586 -3.060 378 HZ3 LYS 42 HZ3 LYS 42 -9.193 8.778 -1.395 379 H PHE 43 H PHE 43 -6.291 14.508 -0.408 380 HA PHE 43 HA PHE 43 -4.585 13.957 1.953 381 HB2 PHE 43 HB2 PHE 43 -4.169 16.285 0.902 382 HB3 PHE 43 HB3 PHE 43 -5.779 16.710 1.447 383 HD1 PHE 43 HD1 PHE 43 -5.890 15.634 4.211 384 HD2 PHE 43 HD2 PHE 43 -2.648 17.508 2.143 385 HE1 PHE 43 HE1 PHE 43 -4.966 16.406 6.347 386 HE2 PHE 43 HE2 PHE 43 -1.735 18.270 4.286 387 HZ PHE 43 HZ PHE 43 -2.889 17.727 6.386 388 H VAL 44 H VAL 44 -6.000 12.637 2.987 389 HA VAL 44 HA VAL 44 -8.832 13.229 3.119 390 HB VAL 44 HB VAL 44 -7.273 11.017 4.522 391 HG11 VAL 44 HG11 VAL 44 -9.498 9.931 4.770 392 HG12 VAL 44 HG12 VAL 44 -10.265 11.359 4.068 393 HG13 VAL 44 HG13 VAL 44 -9.433 11.478 5.620 394 HG21 VAL 44 HG21 VAL 44 -7.072 10.833 2.069 395 HG22 VAL 44 HG22 VAL 44 -8.824 10.959 1.898 396 HG23 VAL 44 HG23 VAL 44 -8.116 9.554 2.696 397 H PHE 45 H PHE 45 -9.764 14.412 4.616 398 HA PHE 45 HA PHE 45 -8.319 15.225 7.040 399 HB2 PHE 45 HB2 PHE 45 -10.941 16.305 5.915 400 HB3 PHE 45 HB3 PHE 45 -9.977 17.013 7.210 401 HD1 PHE 45 HD1 PHE 45 -7.738 18.047 6.671 402 HD2 PHE 45 HD2 PHE 45 -10.389 16.701 3.598 403 HE1 PHE 45 HE1 PHE 45 -6.473 19.334 5.005 404 HE2 PHE 45 HE2 PHE 45 -9.127 17.998 1.953 405 HZ PHE 45 HZ PHE 45 -7.166 19.312 2.644 406 H TYR 46 H TYR 46 -8.618 13.898 8.659 407 HA TYR 46 HA TYR 46 -11.184 12.567 9.189 408 HB2 TYR 46 HB2 TYR 46 -9.290 11.046 9.127 409 HB3 TYR 46 HB3 TYR 46 -8.329 12.103 10.154 410 HD1 TYR 46 HD1 TYR 46 -11.664 10.323 10.338 411 HD2 TYR 46 HD2 TYR 46 -8.032 11.352 12.356 412 HE1 TYR 46 HE1 TYR 46 -12.418 9.104 12.334 413 HE2 TYR 46 HE2 TYR 46 -8.798 10.133 14.342 414 HH TYR 46 HH TYR 46 -11.420 8.005 14.315 415 H GLN 47 H GLN 47 -12.102 12.744 11.311 416 HA GLN 47 HA GLN 47 -12.579 13.455 13.381 417 HB2 GLN 47 HB2 GLN 47 -9.750 13.618 13.361 418 HB3 GLN 47 HB3 GLN 47 -10.258 15.167 14.001 419 HG2 GLN 47 HG2 GLN 47 -11.029 12.456 15.131 420 HG3 GLN 47 HG3 GLN 47 -9.776 13.519 15.769 421 HE21 GLN 47 HE21 GLN 47 -10.419 15.532 16.721 422 HE22 GLN 47 HE22 GLN 47 -12.005 15.704 17.390 423 H SER 48 H SER 48 -13.188 15.376 14.622 424 HA SER 48 HA SER 48 -14.009 17.399 15.031 425 HB2 SER 48 HB2 SER 48 -12.750 19.384 14.290 426 HB3 SER 48 HB3 SER 48 -11.642 18.113 14.793 427 HG SER 48 HG SER 48 -11.099 17.749 12.694 428 H HIS 49 H HIS 49 -14.563 19.683 13.563 429 HA HIS 49 HA HIS 49 -15.906 20.704 12.054 430 HB2 HIS 49 HB2 HIS 49 -14.362 19.404 10.450 431 HB3 HIS 49 HB3 HIS 49 -15.666 18.243 10.272 432 HD1 HIS 49 HD1 HIS 49 -17.964 19.313 9.200 433 HD2 HIS 49 HD2 HIS 49 -14.474 21.501 8.747 434 HE1 HIS 49 HE1 HIS 49 -18.419 20.906 7.307 435 HE2 HIS 49 HE2 HIS 49 -16.392 22.396 7.269 436 H GLU 50 H GLU 50 -16.935 18.609 14.053 437 HA GLU 50 HA GLU 50 -18.865 17.727 14.817 438 HB2 GLU 50 HB2 GLU 50 -19.687 20.060 14.130 439 HB3 GLU 50 HB3 GLU 50 -20.305 19.332 12.660 440 HG2 GLU 50 HG2 GLU 50 -22.080 19.674 14.297 441 HG3 GLU 50 HG3 GLU 50 -21.857 17.955 13.964 442 H ASP 51 H ASP 51 -17.343 16.457 12.622 443 HA ASP 51 HA ASP 51 -19.407 14.643 11.492 444 HB2 ASP 51 HB2 ASP 51 -16.790 15.609 10.268 445 HB3 ASP 51 HB3 ASP 51 -17.654 14.207 9.648 446 H THR 52 H THR 52 -15.999 14.857 12.499 447 HA THR 52 HA THR 52 -14.625 13.530 13.670 448 HB THR 52 HB THR 52 -17.069 11.863 14.394 449 HG1 THR 52 HG1 THR 52 -17.563 13.608 15.455 450 HG21 THR 52 HG21 THR 52 -14.962 10.645 14.875 451 HG22 THR 52 HG22 THR 52 -15.749 11.148 16.371 452 HG23 THR 52 HG23 THR 52 -14.351 12.039 15.770 453 H GLY 53 H GLY 53 -16.892 10.976 12.472 454 HA2 GLY 53 HA2 GLY 53 -14.717 9.320 11.542 455 HA3 GLY 53 HA3 GLY 53 -16.435 9.000 11.367 456 H PHE 54 H PHE 54 -13.680 10.687 10.016 457 HA PHE 54 HA PHE 54 -13.147 11.614 8.054 458 HB2 PHE 54 HB2 PHE 54 -14.976 9.405 7.118 459 HB3 PHE 54 HB3 PHE 54 -14.432 10.591 5.939 460 HD1 PHE 54 HD1 PHE 54 -11.836 10.135 8.357 461 HD2 PHE 54 HD2 PHE 54 -13.623 8.288 4.929 462 HE1 PHE 54 HE1 PHE 54 -9.780 8.848 7.968 463 HE2 PHE 54 HE2 PHE 54 -11.557 7.009 4.553 464 HZ PHE 54 HZ PHE 54 -9.636 7.282 6.068 465 H VAL 55 H VAL 55 -13.788 13.715 8.391 466 HA VAL 55 HA VAL 55 -16.369 14.695 7.645 467 HB VAL 55 HB VAL 55 -15.197 16.152 9.074 468 HG11 VAL 55 HG11 VAL 55 -12.842 16.196 7.157 469 HG12 VAL 55 HG12 VAL 55 -12.893 15.380 8.720 470 HG13 VAL 55 HG13 VAL 55 -12.973 17.141 8.644 471 HG21 VAL 55 HG21 VAL 55 -15.058 18.285 7.835 472 HG22 VAL 55 HG22 VAL 55 -16.477 17.349 7.368 473 HG23 VAL 55 HG23 VAL 55 -15.064 17.400 6.310 474 H GLY 56 H GLY 56 -13.285 14.235 5.917 475 HA2 GLY 56 HA2 GLY 56 -14.472 13.612 3.493 476 HA3 GLY 56 HA3 GLY 56 -14.212 15.353 3.449 477 H GLU 57 H GLU 57 -12.824 14.965 1.662 478 HA GLU 57 HA GLU 57 -10.052 14.678 2.413 479 HB2 GLU 57 HB2 GLU 57 -9.469 13.011 0.703 480 HB3 GLU 57 HB3 GLU 57 -10.575 12.340 1.893 481 HG2 GLU 57 HG2 GLU 57 -12.442 12.564 0.307 482 HG3 GLU 57 HG3 GLU 57 -11.349 13.283 -0.879 483 H ALA 58 H ALA 58 -8.726 14.892 0.176 484 HA ALA 58 HA ALA 58 -9.930 16.732 -1.734 485 HB1 ALA 58 HB1 ALA 58 -7.727 17.677 0.124 486 HB2 ALA 58 HB2 ALA 58 -9.394 18.251 0.116 487 HB3 ALA 58 HB3 ALA 58 -8.348 18.570 -1.269 488 H ARG 59 H ARG 59 -7.820 17.748 -3.001 489 HA ARG 59 HA ARG 59 -5.960 15.534 -3.592 490 HB2 ARG 59 HB2 ARG 59 -7.228 17.492 -5.540 491 HB3 ARG 59 HB3 ARG 59 -5.962 16.335 -5.964 492 HG2 ARG 59 HG2 ARG 59 -8.692 15.576 -4.866 493 HG3 ARG 59 HG3 ARG 59 -8.274 15.588 -6.587 494 HD2 ARG 59 HD2 ARG 59 -6.614 13.822 -6.224 495 HD3 ARG 59 HD3 ARG 59 -6.881 13.882 -4.478 496 HE ARG 59 HE ARG 59 -8.877 12.741 -4.732 497 HH11 ARG 59 HH11 ARG 59 -7.583 13.445 -7.932 498 HH12 ARG 59 HH12 ARG 59 -8.623 12.315 -8.727 499 HH21 ARG 59 HH21 ARG 59 -10.240 11.279 -5.792 500 HH22 ARG 59 HH22 ARG 59 -10.144 11.096 -7.513 501 H ILE 60 H ILE 60 -3.975 16.005 -3.101 502 HA ILE 60 HA ILE 60 -3.002 18.563 -2.363 503 HB ILE 60 HB ILE 60 -1.735 15.836 -2.730 504 HG12 ILE 60 HG12 ILE 60 -1.812 17.566 -0.232 505 HG13 ILE 60 HG13 ILE 60 -3.150 16.518 -0.659 506 HG21 ILE 60 HG21 ILE 60 0.438 16.684 -1.899 507 HG22 ILE 60 HG22 ILE 60 -0.159 18.339 -2.027 508 HG23 ILE 60 HG23 ILE 60 0.030 17.353 -3.479 509 HD11 ILE 60 HD11 ILE 60 -1.693 14.572 -0.497 510 HD12 ILE 60 HD12 ILE 60 -1.675 15.514 0.994 511 HD13 ILE 60 HD13 ILE 60 -0.316 15.619 -0.126 512 H LYS 61 H LYS 61 -1.770 19.953 -3.383 513 HA LYS 61 HA LYS 61 -1.067 19.713 -6.224 514 HB2 LYS 61 HB2 LYS 61 -2.541 22.059 -4.936 515 HB3 LYS 61 HB3 LYS 61 -2.080 21.955 -6.623 516 HG2 LYS 61 HG2 LYS 61 -4.082 20.173 -5.227 517 HG3 LYS 61 HG3 LYS 61 -4.473 21.548 -6.258 518 HD2 LYS 61 HD2 LYS 61 -2.957 19.079 -7.216 519 HD3 LYS 61 HD3 LYS 61 -4.704 19.283 -7.358 520 HE2 LYS 61 HE2 LYS 61 -4.291 21.350 -8.723 521 HE3 LYS 61 HE3 LYS 61 -2.564 20.981 -8.678 522 HZ1 LYS 61 HZ1 LYS 61 -4.677 19.231 -9.805 523 HZ2 LYS 61 HZ2 LYS 61 -3.017 18.901 -9.801 524 HZ3 LYS 61 HZ3 LYS 61 -3.623 20.200 -10.700 525 H ARG 62 H ARG 62 -0.001 22.164 -6.629 526 HA ARG 62 HA ARG 62 2.595 21.686 -6.081 527 HB2 ARG 62 HB2 ARG 62 3.105 23.979 -6.818 528 HB3 ARG 62 HB3 ARG 62 1.827 23.260 -7.793 529 HG2 ARG 62 HG2 ARG 62 0.139 24.545 -6.462 530 HG3 ARG 62 HG3 ARG 62 1.462 25.326 -5.588 531 HD2 ARG 62 HD2 ARG 62 2.302 26.150 -7.866 532 HD3 ARG 62 HD3 ARG 62 0.775 25.575 -8.542 533 HE ARG 62 HE ARG 62 1.208 27.898 -6.862 534 HH11 ARG 62 HH11 ARG 62 -1.217 25.776 -8.248 535 HH12 ARG 62 HH12 ARG 62 -2.513 26.873 -7.925 536 HH21 ARG 62 HH21 ARG 62 -0.472 29.327 -6.491 537 HH22 ARG 62 HH22 ARG 62 -2.088 28.898 -6.942 538 H VAL 63 H VAL 63 3.814 21.571 -4.332 539 HA VAL 63 HA VAL 63 3.090 22.946 -1.864 540 HB VAL 63 HB VAL 63 4.781 21.514 -0.747 541 HG11 VAL 63 HG11 VAL 63 3.630 19.341 -1.044 542 HG12 VAL 63 HG12 VAL 63 2.887 19.929 -2.533 543 HG13 VAL 63 HG13 VAL 63 2.473 20.676 -0.989 544 HG21 VAL 63 HG21 VAL 63 5.317 20.306 -3.500 545 HG22 VAL 63 HG22 VAL 63 5.951 19.690 -1.970 546 HG23 VAL 63 HG23 VAL 63 6.447 21.277 -2.556 547 H VAL 64 H VAL 64 3.905 24.880 -1.412 548 HA VAL 64 HA VAL 64 6.296 25.921 -2.774 549 HB VAL 64 HB VAL 64 4.254 27.341 -1.004 550 HG11 VAL 64 HG11 VAL 64 5.197 29.456 -1.892 551 HG12 VAL 64 HG12 VAL 64 6.440 28.542 -2.748 552 HG13 VAL 64 HG13 VAL 64 6.403 28.543 -0.982 553 HG21 VAL 64 HG21 VAL 64 4.474 27.291 -4.035 554 HG22 VAL 64 HG22 VAL 64 3.331 28.262 -3.105 555 HG23 VAL 64 HG23 VAL 64 3.221 26.500 -3.072 556 H LEU 65 H LEU 65 8.203 25.650 -1.756 557 HA LEU 65 HA LEU 65 8.372 25.275 1.137 558 HB2 LEU 65 HB2 LEU 65 10.598 25.240 -0.944 559 HB3 LEU 65 HB3 LEU 65 10.736 24.734 0.736 560 HG LEU 65 HG LEU 65 9.134 23.336 -1.452 561 HD11 LEU 65 HD11 LEU 65 11.542 22.969 -1.632 562 HD12 LEU 65 HD12 LEU 65 10.715 21.492 -1.154 563 HD13 LEU 65 HD13 LEU 65 11.611 22.428 0.048 564 HD21 LEU 65 HD21 LEU 65 8.628 21.595 0.220 565 HD22 LEU 65 HD22 LEU 65 7.916 23.145 0.653 566 HD23 LEU 65 HD23 LEU 65 9.371 22.582 1.482 567 H SER 66 H SER 66 8.600 26.977 2.423 568 HA SER 66 HA SER 66 10.519 29.096 1.826 569 HB2 SER 66 HB2 SER 66 8.438 30.121 1.022 570 HB3 SER 66 HB3 SER 66 7.599 29.687 2.513 571 HG SER 66 HG SER 66 8.552 31.920 2.207 572 H GLU 67 H GLU 67 11.655 29.524 3.600 573 HA GLU 67 HA GLU 67 11.366 28.160 6.050 574 HB2 GLU 67 HB2 GLU 67 13.145 30.273 4.917 575 HB3 GLU 67 HB3 GLU 67 13.094 30.184 6.668 576 HG2 GLU 67 HG2 GLU 67 13.876 27.920 6.665 577 HG3 GLU 67 HG3 GLU 67 13.685 27.798 4.919 578 H ASN 68 H ASN 68 10.238 31.331 4.985 579 HA ASN 68 HA ASN 68 9.212 31.999 7.653 580 HB2 ASN 68 HB2 ASN 68 8.848 33.549 5.066 581 HB3 ASN 68 HB3 ASN 68 8.484 34.119 6.688 582 HD21 ASN 68 HD21 ASN 68 10.971 33.511 4.349 583 HD22 ASN 68 HD22 ASN 68 12.253 34.295 5.194 584 HA PRO 69 HA PRO 69 5.238 30.040 6.455 585 HB2 PRO 69 HB2 PRO 69 3.992 30.464 8.875 586 HB3 PRO 69 HB3 PRO 69 5.117 29.130 8.584 587 HG2 PRO 69 HG2 PRO 69 5.642 31.802 9.879 588 HG3 PRO 69 HG3 PRO 69 6.153 30.186 10.409 589 HD2 PRO 69 HD2 PRO 69 7.835 31.850 9.101 590 HD3 PRO 69 HD3 PRO 69 7.894 30.085 8.855 591 H MET 70 H MET 70 6.055 33.239 7.285 592 HA MET 70 HA MET 70 3.435 34.453 7.117 593 HB2 MET 70 HB2 MET 70 6.223 35.654 7.255 594 HB3 MET 70 HB3 MET 70 4.729 36.576 7.369 595 HG2 MET 70 HG2 MET 70 4.188 35.625 9.484 596 HG3 MET 70 HG3 MET 70 5.412 34.363 9.316 597 HE1 MET 70 HE1 MET 70 8.752 36.398 9.721 598 HE2 MET 70 HE2 MET 70 7.943 35.992 8.209 599 HE3 MET 70 HE3 MET 70 8.047 34.796 9.501 600 H GLN 71 H GLN 71 6.101 33.722 4.946 601 HA GLN 71 HA GLN 71 5.292 35.483 2.839 602 HB2 GLN 71 HB2 GLN 71 7.026 32.986 2.707 603 HB3 GLN 71 HB3 GLN 71 6.741 34.076 1.350 604 HG2 GLN 71 HG2 GLN 71 7.699 35.937 2.796 605 HG3 GLN 71 HG3 GLN 71 8.190 34.691 3.932 606 HE21 GLN 71 HE21 GLN 71 9.881 36.547 2.552 607 HE22 GLN 71 HE22 GLN 71 10.974 35.624 1.585 608 H PHE 72 H PHE 72 4.272 32.290 3.873 609 HA PHE 72 HA PHE 72 2.640 31.677 1.621 610 HB2 PHE 72 HB2 PHE 72 2.250 30.835 4.522 611 HB3 PHE 72 HB3 PHE 72 1.511 30.073 3.114 612 HD1 PHE 72 HD1 PHE 72 3.941 30.017 1.283 613 HD2 PHE 72 HD2 PHE 72 3.479 29.029 5.419 614 HE1 PHE 72 HE1 PHE 72 5.825 28.455 1.128 615 HE2 PHE 72 HE2 PHE 72 5.356 27.467 5.240 616 HZ PHE 72 HZ PHE 72 6.538 27.175 3.105 617 H PHE 73 H PHE 73 2.228 33.784 4.400 618 HA PHE 73 HA PHE 73 -0.627 34.117 4.044 619 HB2 PHE 73 HB2 PHE 73 1.377 35.480 5.880 620 HB3 PHE 73 HB3 PHE 73 -0.335 35.897 5.853 621 HD1 PHE 73 HD1 PHE 73 -1.738 33.385 5.676 622 HD2 PHE 73 HD2 PHE 73 1.808 34.290 7.882 623 HE1 PHE 73 HE1 PHE 73 -2.252 31.589 7.256 624 HE2 PHE 73 HE2 PHE 73 1.268 32.478 9.448 625 HZ PHE 73 HZ PHE 73 -0.753 31.126 9.144 626 H GLU 74 H GLU 74 2.248 35.719 2.809 627 HA GLU 74 HA GLU 74 0.641 37.954 1.748 628 HB2 GLU 74 HB2 GLU 74 2.692 38.889 0.902 629 HB3 GLU 74 HB3 GLU 74 2.997 38.326 2.540 630 HG2 GLU 74 HG2 GLU 74 4.097 36.313 1.639 631 HG3 GLU 74 HG3 GLU 74 3.804 36.882 -0.004 632 H THR 75 H THR 75 1.807 34.844 0.706 633 HA THR 75 HA THR 75 1.436 35.324 -2.143 634 HB THR 75 HB THR 75 2.139 32.776 -0.615 635 HG1 THR 75 HG1 THR 75 3.666 34.623 -0.678 636 HG21 THR 75 HG21 THR 75 1.138 32.171 -2.791 637 HG22 THR 75 HG22 THR 75 2.875 31.853 -2.803 638 HG23 THR 75 HG23 THR 75 2.236 33.283 -3.616 639 H PHE 76 H PHE 76 -0.065 33.286 0.371 640 HA PHE 76 HA PHE 76 -2.409 32.740 -1.355 641 HB2 PHE 76 HB2 PHE 76 -1.399 31.247 1.105 642 HB3 PHE 76 HB3 PHE 76 -2.813 30.799 0.168 643 HD1 PHE 76 HD1 PHE 76 -2.430 30.238 -2.346 644 HD2 PHE 76 HD2 PHE 76 0.701 30.313 0.570 645 HE1 PHE 76 HE1 PHE 76 -1.045 28.811 -3.791 646 HE2 PHE 76 HE2 PHE 76 2.078 28.884 -0.881 647 HZ PHE 76 HZ PHE 76 1.206 28.129 -3.061 648 H GLY 77 H GLY 77 -1.617 33.183 2.118 649 HA2 GLY 77 HA2 GLY 77 -2.527 34.455 3.787 650 HA3 GLY 77 HA3 GLY 77 -3.379 35.384 2.565 651 H ASP 78 H ASP 78 -5.442 34.796 1.964 652 HA ASP 78 HA ASP 78 -7.170 33.655 3.871 653 HB2 ASP 78 HB2 ASP 78 -7.938 35.281 2.158 654 HB3 ASP 78 HB3 ASP 78 -7.627 34.107 0.886 655 H ARG 79 H ARG 79 -5.506 32.300 1.079 656 HA ARG 79 HA ARG 79 -7.039 29.881 0.952 657 HB2 ARG 79 HB2 ARG 79 -4.257 30.332 -0.186 658 HB3 ARG 79 HB3 ARG 79 -5.418 29.112 -0.688 659 HG2 ARG 79 HG2 ARG 79 -5.649 32.114 -1.082 660 HG3 ARG 79 HG3 ARG 79 -5.326 30.908 -2.330 661 HD2 ARG 79 HD2 ARG 79 -7.580 29.934 -1.940 662 HD3 ARG 79 HD3 ARG 79 -7.897 31.176 -0.722 663 HE ARG 79 HE ARG 79 -7.489 31.681 -3.623 664 HH11 ARG 79 HH11 ARG 79 -8.985 32.631 -0.573 665 HH12 ARG 79 HH12 ARG 79 -9.794 33.994 -1.274 666 HH21 ARG 79 HH21 ARG 79 -8.550 33.469 -4.498 667 HH22 ARG 79 HH22 ARG 79 -9.539 34.479 -3.494 668 H VAL 80 H VAL 80 -4.126 30.853 2.772 669 HA VAL 80 HA VAL 80 -3.452 28.191 3.650 670 HB VAL 80 HB VAL 80 -2.828 30.840 5.033 671 HG11 VAL 80 HG11 VAL 80 -2.602 28.927 6.566 672 HG12 VAL 80 HG12 VAL 80 -1.025 29.618 6.182 673 HG13 VAL 80 HG13 VAL 80 -1.537 28.115 5.411 674 HG21 VAL 80 HG21 VAL 80 -1.898 30.814 2.772 675 HG22 VAL 80 HG22 VAL 80 -1.131 29.254 3.079 676 HG23 VAL 80 HG23 VAL 80 -0.605 30.688 3.965 677 H PHE 81 H PHE 81 -4.265 27.037 5.378 678 HA PHE 81 HA PHE 81 -6.940 27.453 5.973 679 HB2 PHE 81 HB2 PHE 81 -6.881 25.472 7.315 680 HB3 PHE 81 HB3 PHE 81 -5.803 25.234 5.955 681 HD1 PHE 81 HD1 PHE 81 -3.255 25.486 6.379 682 HD2 PHE 81 HD2 PHE 81 -6.129 25.014 9.511 683 HE1 PHE 81 HE1 PHE 81 -1.492 24.684 7.893 684 HE2 PHE 81 HE2 PHE 81 -4.355 24.211 11.010 685 HZ PHE 81 HZ PHE 81 -2.036 24.050 10.205 686 H LEU 82 H LEU 82 -4.135 27.990 8.089 687 HA LEU 82 HA LEU 82 -5.943 29.079 10.134 688 HB2 LEU 82 HB2 LEU 82 -4.332 28.707 11.757 689 HB3 LEU 82 HB3 LEU 82 -4.135 27.336 10.695 690 HG LEU 82 HG LEU 82 -2.307 29.772 10.772 691 HD11 LEU 82 HD11 LEU 82 -2.158 28.429 12.804 692 HD12 LEU 82 HD12 LEU 82 -0.681 28.310 11.847 693 HD13 LEU 82 HD13 LEU 82 -1.843 26.977 11.845 694 HD21 LEU 82 HD21 LEU 82 -0.789 28.484 9.348 695 HD22 LEU 82 HD22 LEU 82 -2.330 28.765 8.543 696 HD23 LEU 82 HD23 LEU 82 -1.975 27.180 9.234 697 H THR 83 H THR 83 -5.432 31.137 11.159 698 HA THR 83 HA THR 83 -4.441 33.086 9.212 699 HB THR 83 HB THR 83 -6.587 33.576 10.364 700 HG1 THR 83 HG1 THR 83 -4.914 35.572 11.375 701 HG21 THR 83 HG21 THR 83 -6.610 34.296 12.733 702 HG22 THR 83 HG22 THR 83 -4.929 33.788 12.903 703 HG23 THR 83 HG23 THR 83 -6.184 32.591 12.572 704 H LYS 84 H LYS 84 -3.010 34.914 10.186 705 HA LYS 84 HA LYS 84 -0.567 33.736 11.002 706 HB2 LYS 84 HB2 LYS 84 -0.697 35.815 9.657 707 HB3 LYS 84 HB3 LYS 84 -1.334 36.677 11.052 708 HG2 LYS 84 HG2 LYS 84 0.770 36.354 12.262 709 HG3 LYS 84 HG3 LYS 84 1.422 35.391 10.931 710 HD2 LYS 84 HD2 LYS 84 0.631 38.328 10.781 711 HD3 LYS 84 HD3 LYS 84 2.282 37.720 10.922 712 HE2 LYS 84 HE2 LYS 84 2.084 36.621 8.726 713 HE3 LYS 84 HE3 LYS 84 0.407 37.162 8.592 714 HZ1 LYS 84 HZ1 LYS 84 1.167 39.436 8.589 715 HZ2 LYS 84 HZ2 LYS 84 1.928 38.568 7.354 716 HZ3 LYS 84 HZ3 LYS 84 2.775 38.939 8.770 717 H ASP 85 H ASP 85 -3.176 35.249 12.816 718 HA ASP 85 HA ASP 85 -2.005 35.446 15.376 719 HB2 ASP 85 HB2 ASP 85 -4.891 34.814 14.620 720 HB3 ASP 85 HB3 ASP 85 -4.362 35.230 16.244 721 H GLU 86 H GLU 86 -3.654 32.722 13.795 722 HA GLU 86 HA GLU 86 -3.525 30.852 15.909 723 HB2 GLU 86 HB2 GLU 86 -3.630 30.446 12.910 724 HB3 GLU 86 HB3 GLU 86 -3.787 29.132 14.071 725 HG2 GLU 86 HG2 GLU 86 -5.638 31.516 14.044 726 HG3 GLU 86 HG3 GLU 86 -5.924 30.079 13.069 727 H LEU 87 H LEU 87 -1.318 31.580 13.242 728 HA LEU 87 HA LEU 87 0.599 29.544 13.649 729 HB2 LEU 87 HB2 LEU 87 0.652 30.718 11.575 730 HB3 LEU 87 HB3 LEU 87 0.711 32.287 12.357 731 HG LEU 87 HG LEU 87 3.059 31.672 13.174 732 HD11 LEU 87 HD11 LEU 87 2.928 29.252 12.928 733 HD12 LEU 87 HD12 LEU 87 4.283 29.916 12.022 734 HD13 LEU 87 HD13 LEU 87 2.818 29.419 11.173 735 HD21 LEU 87 HD21 LEU 87 2.774 31.830 10.161 736 HD22 LEU 87 HD22 LEU 87 4.165 32.319 11.132 737 HD23 LEU 87 HD23 LEU 87 2.651 33.209 11.260 738 H LYS 88 H LYS 88 0.510 32.934 14.796 739 HA LYS 88 HA LYS 88 3.047 32.763 16.054 740 HB2 LYS 88 HB2 LYS 88 2.550 35.003 17.003 741 HB3 LYS 88 HB3 LYS 88 2.322 34.902 15.270 742 HG2 LYS 88 HG2 LYS 88 0.472 36.136 15.800 743 HG3 LYS 88 HG3 LYS 88 -0.206 34.529 15.937 744 HD2 LYS 88 HD2 LYS 88 -0.959 35.901 17.800 745 HD3 LYS 88 HD3 LYS 88 0.086 34.604 18.396 746 HE2 LYS 88 HE2 LYS 88 0.635 36.719 19.487 747 HE3 LYS 88 HE3 LYS 88 1.968 36.167 18.477 748 HZ1 LYS 88 HZ1 LYS 88 1.303 37.726 16.774 749 HZ2 LYS 88 HZ2 LYS 88 1.568 38.543 18.230 750 HZ3 LYS 88 HZ3 LYS 88 -0.010 38.237 17.705 751 H GLU 89 H GLU 89 -0.306 32.527 17.326 752 HA GLU 89 HA GLU 89 0.391 32.322 20.060 753 HB2 GLU 89 HB2 GLU 89 -1.819 31.477 20.510 754 HB3 GLU 89 HB3 GLU 89 -1.983 32.683 19.236 755 HG2 GLU 89 HG2 GLU 89 -2.235 30.941 17.554 756 HG3 GLU 89 HG3 GLU 89 -1.896 29.690 18.741 757 H TYR 90 H TYR 90 0.264 29.956 17.458 758 HA TYR 90 HA TYR 90 0.599 27.580 18.962 759 HB2 TYR 90 HB2 TYR 90 -0.178 27.439 16.683 760 HB3 TYR 90 HB3 TYR 90 1.224 28.306 16.065 761 HD1 TYR 90 HD1 TYR 90 0.455 25.156 18.004 762 HD2 TYR 90 HD2 TYR 90 2.860 27.016 14.999 763 HE1 TYR 90 HE1 TYR 90 1.556 23.006 17.559 764 HE2 TYR 90 HE2 TYR 90 3.974 24.859 14.556 765 HH TYR 90 HH TYR 90 2.828 21.872 15.916 766 H MET 91 H MET 91 2.945 29.764 17.405 767 HA MET 91 HA MET 91 5.280 28.280 18.206 768 HB2 MET 91 HB2 MET 91 5.028 31.114 17.122 769 HB3 MET 91 HB3 MET 91 6.548 30.260 17.345 770 HG2 MET 91 HG2 MET 91 5.766 28.541 15.710 771 HG3 MET 91 HG3 MET 91 4.332 29.525 15.417 772 HE1 MET 91 HE1 MET 91 5.694 32.536 15.551 773 HE2 MET 91 HE2 MET 91 4.476 32.039 14.375 774 HE3 MET 91 HE3 MET 91 5.983 32.773 13.828 775 H LYS 92 H LYS 92 3.401 30.867 19.620 776 HA LYS 92 HA LYS 92 5.299 31.603 21.649 777 HB2 LYS 92 HB2 LYS 92 2.308 32.152 21.459 778 HB3 LYS 92 HB3 LYS 92 3.359 32.817 22.703 779 HG2 LYS 92 HG2 LYS 92 3.549 33.382 19.724 780 HG3 LYS 92 HG3 LYS 92 2.864 34.463 20.935 781 HD2 LYS 92 HD2 LYS 92 5.774 33.559 20.835 782 HD3 LYS 92 HD3 LYS 92 5.170 35.098 20.215 783 HE2 LYS 92 HE2 LYS 92 4.445 35.724 22.499 784 HE3 LYS 92 HE3 LYS 92 5.069 34.189 23.114 785 HZ1 LYS 92 HZ1 LYS 92 6.664 36.331 21.825 786 HZ2 LYS 92 HZ2 LYS 92 7.275 34.856 22.377 787 HZ3 LYS 92 HZ3 LYS 92 6.630 35.968 23.475 788 H SER 93 H SER 93 2.535 29.397 21.362 789 HA SER 93 HA SER 93 2.287 28.575 24.047 790 HB2 SER 93 HB2 SER 93 1.602 27.143 21.451 791 HB3 SER 93 HB3 SER 93 1.240 26.455 23.035 792 HG SER 93 HG SER 93 0.403 29.063 22.408 793 H GLN 94 H GLN 94 4.554 27.688 21.545 794 HA GLN 94 HA GLN 94 5.644 25.390 22.810 795 HB2 GLN 94 HB2 GLN 94 7.011 27.280 20.837 796 HB3 GLN 94 HB3 GLN 94 7.519 25.638 21.227 797 HG2 GLN 94 HG2 GLN 94 4.965 26.450 19.808 798 HG3 GLN 94 HG3 GLN 94 6.370 25.699 19.065 799 HE21 GLN 94 HE21 GLN 94 3.515 24.860 19.251 800 HE22 GLN 94 HE22 GLN 94 3.549 23.261 19.907 801 H GLU 95 H GLU 95 6.723 28.830 22.750 802 HA GLU 95 HA GLU 95 8.984 28.306 24.434 803 HB2 GLU 95 HB2 GLU 95 9.327 30.772 24.401 804 HB3 GLU 95 HB3 GLU 95 9.159 30.060 22.804 805 HG2 GLU 95 HG2 GLU 95 6.743 30.824 22.825 806 HG3 GLU 95 HG3 GLU 95 7.113 31.716 24.299 807 H ARG 96 H ARG 96 5.658 29.179 25.156 808 HA ARG 96 HA ARG 96 6.365 29.993 27.907 809 HB2 ARG 96 HB2 ARG 96 4.102 30.846 28.125 810 HB3 ARG 96 HB3 ARG 96 4.810 31.453 26.634 811 HG2 ARG 96 HG2 ARG 96 3.564 29.706 25.376 812 HG3 ARG 96 HG3 ARG 96 2.804 29.196 26.880 813 HD2 ARG 96 HD2 ARG 96 2.565 31.987 25.711 814 HD3 ARG 96 HD3 ARG 96 1.396 30.690 25.440 815 HE ARG 96 HE ARG 96 2.004 31.536 28.198 816 HH11 ARG 96 HH11 ARG 96 -0.338 31.345 25.567 817 HH12 ARG 96 HH12 ARG 96 -1.673 31.798 26.572 818 HH21 ARG 96 HH21 ARG 96 0.226 32.100 29.494 819 HH22 ARG 96 HH22 ARG 96 -1.355 32.216 28.790 820 H TRP 97 H TRP 97 5.061 27.218 26.222 821 HA TRP 97 HA TRP 97 4.399 25.965 28.841 822 HB2 TRP 97 HB2 TRP 97 3.152 25.215 26.158 823 HB3 TRP 97 HB3 TRP 97 2.748 24.534 27.727 824 HD1 TRP 97 HD1 TRP 97 1.521 26.995 25.332 825 HE1 TRP 97 HE1 TRP 97 -0.198 28.584 26.401 826 HE3 TRP 97 HE3 TRP 97 2.356 25.906 30.265 827 HZ2 TRP 97 HZ2 TRP 97 -1.092 29.282 28.981 828 HZ3 TRP 97 HZ3 TRP 97 1.015 27.070 31.976 829 HH2 TRP 97 HH2 TRP 97 -0.677 28.727 31.344 830 H GLY 98 H GLY 98 5.237 24.989 25.472 831 HA2 GLY 98 HA2 GLY 98 6.262 22.425 26.375 832 HA3 GLY 98 HA3 GLY 98 6.171 23.012 24.724 833 H ARG 99 H ARG 99 7.914 24.064 23.812 834 HA ARG 99 HA ARG 99 10.304 24.798 25.256 835 HB2 ARG 99 HB2 ARG 99 10.565 22.317 25.116 836 HB3 ARG 99 HB3 ARG 99 10.372 22.395 23.369 837 HG2 ARG 99 HG2 ARG 99 12.476 23.734 23.230 838 HG3 ARG 99 HG3 ARG 99 12.667 23.573 24.979 839 HD2 ARG 99 HD2 ARG 99 12.741 21.364 22.899 840 HD3 ARG 99 HD3 ARG 99 14.065 21.906 23.937 841 HE ARG 99 HE ARG 99 11.644 20.456 24.855 842 HH11 ARG 99 HH11 ARG 99 15.038 21.263 25.356 843 HH12 ARG 99 HH12 ARG 99 15.209 20.163 26.684 844 HH21 ARG 99 HH21 ARG 99 11.899 19.044 26.577 845 HH22 ARG 99 HH22 ARG 99 13.437 18.886 27.362 846 H ARG 100 H ARG 100 11.335 26.409 24.066 847 HA ARG 100 HA ARG 100 11.524 26.143 21.188 848 HB2 ARG 100 HB2 ARG 100 9.377 27.514 21.645 849 HB3 ARG 100 HB3 ARG 100 10.429 28.786 22.245 850 HG2 ARG 100 HG2 ARG 100 9.791 29.229 19.923 851 HG3 ARG 100 HG3 ARG 100 11.532 28.927 20.026 852 HD2 ARG 100 HD2 ARG 100 11.176 26.607 19.274 853 HD3 ARG 100 HD3 ARG 100 9.434 26.888 19.205 854 HE ARG 100 HE ARG 100 10.950 28.696 17.544 855 HH11 ARG 100 HH11 ARG 100 9.492 25.496 17.698 856 HH12 ARG 100 HH12 ARG 100 9.361 25.341 15.979 857 HH21 ARG 100 HH21 ARG 100 10.773 28.483 15.290 858 HH22 ARG 100 HH22 ARG 100 10.070 27.046 14.610 859 H ARG 101 H ARG 101 13.646 25.700 22.082 860 HA ARG 101 HA ARG 101 15.287 27.890 23.024 861 HB2 ARG 101 HB2 ARG 101 16.082 25.121 22.012 862 HB3 ARG 101 HB3 ARG 101 17.153 26.252 22.840 863 HG2 ARG 101 HG2 ARG 101 14.710 24.870 24.014 864 HG3 ARG 101 HG3 ARG 101 16.401 24.533 24.401 865 HD2 ARG 101 HD2 ARG 101 16.664 26.694 25.449 866 HD3 ARG 101 HD3 ARG 101 15.085 27.231 24.874 867 HE ARG 101 HE ARG 101 14.832 24.923 26.526 868 HH11 ARG 101 HH11 ARG 101 15.394 28.403 26.734 869 HH12 ARG 101 HH12 ARG 101 14.719 28.527 28.327 870 HH21 ARG 101 HH21 ARG 101 13.923 25.134 28.602 871 HH22 ARG 101 HH22 ARG 101 13.893 26.684 29.383 872 H GLU 102 H GLU 102 15.214 25.882 20.060 873 HA GLU 102 HA GLU 102 15.160 26.381 17.872 874 HB2 GLU 102 HB2 GLU 102 13.422 28.004 18.513 875 HB3 GLU 102 HB3 GLU 102 14.654 29.219 18.831 876 HG2 GLU 102 HG2 GLU 102 15.233 29.292 16.449 877 HG3 GLU 102 HG3 GLU 102 14.064 28.013 16.112 878 H SER 103 H SER 103 16.753 26.462 16.381 879 HA SER 103 HA SER 103 19.362 27.499 16.931 880 HB2 SER 103 HB2 SER 103 19.763 26.867 14.471 881 HB3 SER 103 HB3 SER 103 19.177 25.559 15.497 882 HG SER 103 HG SER 103 17.384 27.164 14.031 883 H LYS 104 H LYS 104 20.503 29.056 15.455 884 HA LYS 104 HA LYS 104 19.389 31.624 15.532 885 HB2 LYS 104 HB2 LYS 104 21.735 30.532 13.929 886 HB3 LYS 104 HB3 LYS 104 21.350 32.249 14.012 887 HG2 LYS 104 HG2 LYS 104 22.009 30.525 16.425 888 HG3 LYS 104 HG3 LYS 104 23.173 31.539 15.562 889 HD2 LYS 104 HD2 LYS 104 21.773 33.544 16.096 890 HD3 LYS 104 HD3 LYS 104 20.678 32.512 17.022 891 HE2 LYS 104 HE2 LYS 104 22.457 31.989 18.609 892 HE3 LYS 104 HE3 LYS 104 23.632 32.883 17.639 893 HZ1 LYS 104 HZ1 LYS 104 22.416 34.908 18.073 894 HZ2 LYS 104 HZ2 LYS 104 22.842 34.165 19.530 895 HZ3 LYS 104 HZ3 LYS 104 21.252 34.067 18.968 896 H LYS 105 H LYS 105 19.310 29.254 12.952 897 HA LYS 105 HA LYS 105 17.788 31.090 11.223 898 HB2 LYS 105 HB2 LYS 105 19.622 29.863 10.154 899 HB3 LYS 105 HB3 LYS 105 18.960 28.328 10.696 900 HG2 LYS 105 HG2 LYS 105 17.225 28.353 9.129 901 HG3 LYS 105 HG3 LYS 105 17.288 30.106 8.920 902 HD2 LYS 105 HD2 LYS 105 19.427 28.156 7.960 903 HD3 LYS 105 HD3 LYS 105 18.164 28.854 6.939 904 HE2 LYS 105 HE2 LYS 105 19.056 31.117 7.381 905 HE3 LYS 105 HE3 LYS 105 20.303 30.430 8.424 906 HZ1 LYS 105 HZ1 LYS 105 21.176 30.909 6.259 907 HZ2 LYS 105 HZ2 LYS 105 20.000 29.952 5.513 908 HZ3 LYS 105 HZ3 LYS 105 21.172 29.237 6.499 909 H LYS 106 H LYS 106 15.651 30.744 10.766 910 HA LYS 106 HA LYS 106 13.981 29.272 12.509 911 HB2 LYS 106 HB2 LYS 106 12.118 29.978 11.100 912 HB3 LYS 106 HB3 LYS 106 13.235 31.325 11.247 913 HG2 LYS 106 HG2 LYS 106 13.477 29.501 8.863 914 HG3 LYS 106 HG3 LYS 106 12.159 30.659 8.890 915 HD2 LYS 106 HD2 LYS 106 15.080 31.433 9.237 916 HD3 LYS 106 HD3 LYS 106 14.263 31.392 7.675 917 HE2 LYS 106 HE2 LYS 106 12.635 33.082 8.513 918 HE3 LYS 106 HE3 LYS 106 13.522 33.150 10.039 919 HZ1 LYS 106 HZ1 LYS 106 14.608 33.850 7.369 920 HZ2 LYS 106 HZ2 LYS 106 15.459 33.925 8.829 921 HZ3 LYS 106 HZ3 LYS 106 14.137 34.945 8.568 922 H LYS 107 H LYS 107 12.330 27.675 11.700 923 HA LYS 107 HA LYS 107 13.554 25.416 10.405 924 HB2 LYS 107 HB2 LYS 107 11.870 25.258 12.304 925 HB3 LYS 107 HB3 LYS 107 10.635 25.802 11.189 926 HG2 LYS 107 HG2 LYS 107 10.283 23.509 11.217 927 HG3 LYS 107 HG3 LYS 107 11.289 23.692 9.782 928 HD2 LYS 107 HD2 LYS 107 12.411 22.950 12.511 929 HD3 LYS 107 HD3 LYS 107 11.843 21.745 11.362 930 HE2 LYS 107 HE2 LYS 107 14.093 23.717 10.838 931 HE3 LYS 107 HE3 LYS 107 14.307 22.035 11.331 932 HZ1 LYS 107 HZ1 LYS 107 14.522 22.438 8.905 933 HZ2 LYS 107 HZ2 LYS 107 12.879 22.845 8.855 934 HZ3 LYS 107 HZ3 LYS 107 13.352 21.286 9.304 935 H LEU 108 H LEU 108 12.992 24.547 8.384 936 HA LEU 108 HA LEU 108 11.913 26.246 6.336 937 HB2 LEU 108 HB2 LEU 108 13.676 24.422 5.998 938 HB3 LEU 108 HB3 LEU 108 12.414 23.234 6.209 939 HG LEU 108 HG LEU 108 13.171 23.714 3.804 940 HD11 LEU 108 HD11 LEU 108 11.098 22.504 4.253 941 HD12 LEU 108 HD12 LEU 108 10.970 23.508 2.811 942 HD13 LEU 108 HD13 LEU 108 10.210 24.028 4.317 943 HD21 LEU 108 HD21 LEU 108 13.326 26.152 3.964 944 HD22 LEU 108 HD22 LEU 108 11.575 26.266 4.167 945 HD23 LEU 108 HD23 LEU 108 12.254 25.659 2.654 946 H TRP 109 H TRP 109 9.813 26.427 5.724 947 HA TRP 109 HA TRP 109 7.803 24.512 6.766 948 HB2 TRP 109 HB2 TRP 109 7.524 27.485 6.145 949 HB3 TRP 109 HB3 TRP 109 6.158 26.432 6.484 950 HD1 TRP 109 HD1 TRP 109 9.458 27.425 8.307 951 HE1 TRP 109 HE1 TRP 109 8.934 27.698 10.802 952 HE3 TRP 109 HE3 TRP 109 4.498 26.205 8.229 953 HZ2 TRP 109 HZ2 TRP 109 6.729 27.436 12.524 954 HZ3 TRP 109 HZ3 TRP 109 3.243 26.249 10.351 955 HH2 TRP 109 HH2 TRP 109 4.339 26.856 12.457 956 H MET 110 H MET 110 5.920 24.242 5.361 957 HA MET 110 HA MET 110 6.432 24.423 2.473 958 HB2 MET 110 HB2 MET 110 5.666 21.940 2.335 959 HB3 MET 110 HB3 MET 110 7.302 22.243 2.898 960 HG2 MET 110 HG2 MET 110 6.582 21.926 5.224 961 HG3 MET 110 HG3 MET 110 4.932 21.633 4.684 962 HE1 MET 110 HE1 MET 110 4.059 19.361 3.818 963 HE2 MET 110 HE2 MET 110 5.090 18.106 3.125 964 HE3 MET 110 HE3 MET 110 4.965 19.675 2.332 965 H ALA 111 H ALA 111 4.634 24.952 1.387 966 HA ALA 111 HA ALA 111 2.034 24.956 2.793 967 HB1 ALA 111 HB1 ALA 111 1.391 26.770 1.246 968 HB2 ALA 111 HB2 ALA 111 2.986 26.699 0.487 969 HB3 ALA 111 HB3 ALA 111 2.830 27.193 2.175 970 H ILE 112 H ILE 112 1.154 23.065 2.259 971 HA ILE 112 HA ILE 112 1.244 21.885 -0.385 972 HB ILE 112 HB ILE 112 -0.515 21.087 1.986 973 HG12 ILE 112 HG12 ILE 112 2.254 19.954 1.363 974 HG13 ILE 112 HG13 ILE 112 1.926 21.128 2.636 975 HG21 ILE 112 HG21 ILE 112 0.421 19.453 -0.400 976 HG22 ILE 112 HG22 ILE 112 -1.203 20.104 -0.158 977 HG23 ILE 112 HG23 ILE 112 -0.580 18.864 0.931 978 HD11 ILE 112 HD11 ILE 112 0.795 18.331 2.478 979 HD12 ILE 112 HD12 ILE 112 0.451 19.510 3.745 980 HD13 ILE 112 HD13 ILE 112 2.089 18.886 3.540 981 H GLU 113 H GLU 113 -0.152 22.633 -2.007 982 HA GLU 113 HA GLU 113 -2.533 24.134 -1.210 983 HB2 GLU 113 HB2 GLU 113 -1.293 24.937 -3.185 984 HB3 GLU 113 HB3 GLU 113 -1.553 23.401 -4.008 985 HG2 GLU 113 HG2 GLU 113 -3.964 23.795 -4.076 986 HG3 GLU 113 HG3 GLU 113 -3.777 25.275 -3.138 987 H LEU 114 H LEU 114 -4.598 23.434 -1.392 988 HA LEU 114 HA LEU 114 -5.161 20.622 -2.080 989 HB2 LEU 114 HB2 LEU 114 -6.002 22.241 0.349 990 HB3 LEU 114 HB3 LEU 114 -7.068 20.983 -0.238 991 HG LEU 114 HG LEU 114 -5.819 20.023 1.546 992 HD11 LEU 114 HD11 LEU 114 -4.587 18.211 0.421 993 HD12 LEU 114 HD12 LEU 114 -4.673 19.098 -1.097 994 HD13 LEU 114 HD13 LEU 114 -6.151 18.543 -0.304 995 HD21 LEU 114 HD21 LEU 114 -3.259 20.974 0.237 996 HD22 LEU 114 HD22 LEU 114 -3.355 19.908 1.640 997 HD23 LEU 114 HD23 LEU 114 -3.959 21.568 1.746 998 H GLU 115 H GLU 115 -6.762 20.348 -3.505 999 HA GLU 115 HA GLU 115 -8.886 22.362 -3.824 1000 HB2 GLU 115 HB2 GLU 115 -8.660 22.406 -6.250 1001 HB3 GLU 115 HB3 GLU 115 -7.117 22.859 -5.529 1002 HG2 GLU 115 HG2 GLU 115 -6.344 21.463 -7.158 1003 HG3 GLU 115 HG3 GLU 115 -6.561 20.283 -5.864 1004 H ASP 116 H ASP 116 -10.721 21.476 -5.113 1005 HA ASP 116 HA ASP 116 -12.397 19.983 -5.457 1006 HB2 ASP 116 HB2 ASP 116 -10.672 19.118 -7.097 1007 HB3 ASP 116 HB3 ASP 116 -10.132 17.974 -5.880 1008 H VAL 117 H VAL 117 -11.833 20.515 -2.831 1009 HA VAL 117 HA VAL 117 -11.331 18.227 -1.225 1010 HB VAL 117 HB VAL 117 -12.649 20.817 -0.307 1011 HG11 VAL 117 HG11 VAL 117 -11.086 18.726 1.260 1012 HG12 VAL 117 HG12 VAL 117 -12.832 18.975 1.321 1013 HG13 VAL 117 HG13 VAL 117 -11.745 20.228 1.917 1014 HG21 VAL 117 HG21 VAL 117 -10.511 21.352 -1.432 1015 HG22 VAL 117 HG22 VAL 117 -9.667 20.183 -0.416 1016 HG23 VAL 117 HG23 VAL 117 -10.392 21.618 0.309 1017 H LYS 118 H LYS 118 -12.670 16.577 -1.409 1018 HA LYS 118 HA LYS 118 -15.494 16.725 -1.859 1019 HB2 LYS 118 HB2 LYS 118 -13.568 14.811 -2.359 1020 HB3 LYS 118 HB3 LYS 118 -14.278 14.140 -0.904 1021 HG2 LYS 118 HG2 LYS 118 -15.366 13.135 -2.795 1022 HG3 LYS 118 HG3 LYS 118 -16.523 14.222 -2.022 1023 HD2 LYS 118 HD2 LYS 118 -16.611 14.420 -4.488 1024 HD3 LYS 118 HD3 LYS 118 -16.102 15.939 -3.743 1025 HE2 LYS 118 HE2 LYS 118 -13.729 15.353 -4.259 1026 HE3 LYS 118 HE3 LYS 118 -14.281 13.885 -5.065 1027 HZ1 LYS 118 HZ1 LYS 118 -14.963 16.661 -5.871 1028 HZ2 LYS 118 HZ2 LYS 118 -15.456 15.254 -6.663 1029 HZ3 LYS 118 HZ3 LYS 118 -13.818 15.667 -6.617 1030 H LYS 119 H LYS 119 -17.079 16.778 -0.349 1031 HA LYS 119 HA LYS 119 -16.450 16.403 2.487 1032 HB2 LYS 119 HB2 LYS 119 -18.472 17.940 1.009 1033 HB3 LYS 119 HB3 LYS 119 -19.243 16.951 2.229 1034 HG2 LYS 119 HG2 LYS 119 -17.058 18.993 2.718 1035 HG3 LYS 119 HG3 LYS 119 -18.767 19.199 3.076 1036 HD2 LYS 119 HD2 LYS 119 -16.833 17.257 4.402 1037 HD3 LYS 119 HD3 LYS 119 -17.567 18.682 5.133 1038 HE2 LYS 119 HE2 LYS 119 -19.784 17.586 5.004 1039 HE3 LYS 119 HE3 LYS 119 -19.050 16.187 4.249 1040 HZ1 LYS 119 HZ1 LYS 119 -17.798 15.761 6.222 1041 HZ2 LYS 119 HZ2 LYS 119 -19.441 15.851 6.608 1042 HZ3 LYS 119 HZ3 LYS 119 -18.416 17.143 6.974 1043 H TYR 120 H TYR 120 -16.724 14.519 3.408 1044 HA TYR 120 HA TYR 120 -18.506 12.460 2.366 1045 HB2 TYR 120 HB2 TYR 120 -16.357 12.520 4.508 1046 HB3 TYR 120 HB3 TYR 120 -17.551 11.223 4.499 1047 HD1 TYR 120 HD1 TYR 120 -15.444 12.984 1.887 1048 HD2 TYR 120 HD2 TYR 120 -16.798 9.259 3.482 1049 HE1 TYR 120 HE1 TYR 120 -14.202 11.784 0.141 1050 HE2 TYR 120 HE2 TYR 120 -15.545 8.067 1.744 1051 HH TYR 120 HH TYR 120 -13.215 9.513 -0.178 1052 H ASP 121 H ASP 121 -20.511 13.174 2.663 1053 HA ASP 121 HA ASP 121 -21.687 14.155 5.072 1054 HB2 ASP 121 HB2 ASP 121 -22.695 14.540 2.844 1055 HB3 ASP 121 HB3 ASP 121 -22.906 12.811 2.610 1056 H LYS 122 H LYS 122 -21.027 11.026 3.718 1057 HA LYS 122 HA LYS 122 -22.512 9.521 5.699 1058 HB2 LYS 122 HB2 LYS 122 -21.589 7.545 4.478 1059 HB3 LYS 122 HB3 LYS 122 -22.478 8.663 3.456 1060 HG2 LYS 122 HG2 LYS 122 -20.198 9.619 2.758 1061 HG3 LYS 122 HG3 LYS 122 -19.480 8.225 3.573 1062 HD2 LYS 122 HD2 LYS 122 -19.694 7.706 1.210 1063 HD3 LYS 122 HD3 LYS 122 -20.854 6.721 2.109 1064 HE2 LYS 122 HE2 LYS 122 -22.653 8.340 1.516 1065 HE3 LYS 122 HE3 LYS 122 -21.488 9.284 0.589 1066 HZ1 LYS 122 HZ1 LYS 122 -22.295 6.485 0.022 1067 HZ2 LYS 122 HZ2 LYS 122 -21.186 7.391 -0.872 1068 HZ3 LYS 122 HZ3 LYS 122 -22.809 7.859 -0.819 1069 HA PRO 123 HA PRO 123 -19.022 9.493 8.540 1070 HB2 PRO 123 HB2 PRO 123 -20.063 7.895 10.470 1071 HB3 PRO 123 HB3 PRO 123 -20.710 9.512 10.157 1072 HG2 PRO 123 HG2 PRO 123 -21.785 6.840 9.291 1073 HG3 PRO 123 HG3 PRO 123 -22.667 8.258 9.894 1074 HD2 PRO 123 HD2 PRO 123 -22.405 7.601 7.193 1075 HD3 PRO 123 HD3 PRO 123 -22.748 9.238 7.801 1076 H ILE 124 H ILE 124 -17.310 8.475 7.549 1077 HA ILE 124 HA ILE 124 -17.268 5.507 7.457 1078 HB ILE 124 HB ILE 124 -15.754 7.488 5.696 1079 HG12 ILE 124 HG12 ILE 124 -18.021 5.531 5.111 1080 HG13 ILE 124 HG13 ILE 124 -18.109 7.287 5.056 1081 HG21 ILE 124 HG21 ILE 124 -14.841 5.534 4.480 1082 HG22 ILE 124 HG22 ILE 124 -15.586 4.447 5.652 1083 HG23 ILE 124 HG23 ILE 124 -14.304 5.547 6.161 1084 HD11 ILE 124 HD11 ILE 124 -16.569 5.508 3.168 1085 HD12 ILE 124 HD12 ILE 124 -16.597 7.272 3.119 1086 HD13 ILE 124 HD13 ILE 124 -18.076 6.360 2.838 1087 H LYS 125 H LYS 125 -15.822 4.456 8.613 1088 HA LYS 125 HA LYS 125 -14.152 5.839 10.512 1089 HB2 LYS 125 HB2 LYS 125 -14.782 2.905 9.994 1090 HB3 LYS 125 HB3 LYS 125 -13.547 3.374 11.152 1091 HG2 LYS 125 HG2 LYS 125 -15.667 2.878 12.273 1092 HG3 LYS 125 HG3 LYS 125 -15.213 4.568 12.502 1093 HD2 LYS 125 HD2 LYS 125 -16.823 5.212 10.707 1094 HD3 LYS 125 HD3 LYS 125 -17.291 3.517 10.538 1095 HE2 LYS 125 HE2 LYS 125 -17.609 5.172 13.064 1096 HE3 LYS 125 HE3 LYS 125 -18.892 4.828 11.903 1097 HZ1 LYS 125 HZ1 LYS 125 -19.020 3.329 13.758 1098 HZ2 LYS 125 HZ2 LYS 125 -17.421 2.825 13.528 1099 HZ3 LYS 125 HZ3 LYS 125 -18.600 2.461 12.370 1100 HA PRO 126 HA PRO 126 -10.463 5.805 7.989 1101 HB2 PRO 126 HB2 PRO 126 -8.519 6.138 9.862 1102 HB3 PRO 126 HB3 PRO 126 -9.668 7.422 9.464 1103 HG2 PRO 126 HG2 PRO 126 -9.758 5.456 11.757 1104 HG3 PRO 126 HG3 PRO 126 -9.986 7.218 11.798 1105 HD2 PRO 126 HD2 PRO 126 -12.089 5.497 11.777 1106 HD3 PRO 126 HD3 PRO 126 -12.174 7.082 10.971 1107 H LYS 127 H LYS 127 -8.637 4.535 7.424 1108 HA LYS 127 HA LYS 127 -8.934 1.741 7.728 1109 HB2 LYS 127 HB2 LYS 127 -6.438 3.194 6.738 1110 HB3 LYS 127 HB3 LYS 127 -6.915 1.533 6.376 1111 HG2 LYS 127 HG2 LYS 127 -8.980 2.490 5.231 1112 HG3 LYS 127 HG3 LYS 127 -8.260 4.088 5.437 1113 HD2 LYS 127 HD2 LYS 127 -7.781 3.324 3.197 1114 HD3 LYS 127 HD3 LYS 127 -6.274 3.307 4.118 1115 HE2 LYS 127 HE2 LYS 127 -6.416 0.882 4.383 1116 HE3 LYS 127 HE3 LYS 127 -8.010 0.854 3.628 1117 HZ1 LYS 127 HZ1 LYS 127 -6.299 0.165 2.091 1118 HZ2 LYS 127 HZ2 LYS 127 -5.476 1.629 2.292 1119 HZ3 LYS 127 HZ3 LYS 127 -7.002 1.613 1.567 1120 H ARG 128 H ARG 128 -6.951 4.086 9.360 1121 HA ARG 128 HA ARG 128 -6.824 2.388 11.709 1122 HB2 ARG 128 HB2 ARG 128 -4.436 2.609 12.099 1123 HB3 ARG 128 HB3 ARG 128 -4.641 1.918 10.492 1124 HG2 ARG 128 HG2 ARG 128 -4.213 4.115 9.473 1125 HG3 ARG 128 HG3 ARG 128 -4.061 4.844 11.072 1126 HD2 ARG 128 HD2 ARG 128 -1.853 4.507 10.265 1127 HD3 ARG 128 HD3 ARG 128 -2.122 3.269 11.492 1128 HE ARG 128 HE ARG 128 -2.684 1.805 9.455 1129 HH11 ARG 128 HH11 ARG 128 -0.204 4.307 9.443 1130 HH12 ARG 128 HH12 ARG 128 0.753 3.509 8.233 1131 HH21 ARG 128 HH21 ARG 128 -1.402 0.767 7.905 1132 HH22 ARG 128 HH22 ARG 128 0.074 1.506 7.364 1133 H LEU 129 H LEU 129 -6.214 3.757 13.637 1134 HA LEU 129 HA LEU 129 -7.444 6.288 13.638 1135 HB2 LEU 129 HB2 LEU 129 -6.780 6.572 15.892 1136 HB3 LEU 129 HB3 LEU 129 -7.067 4.855 15.695 1137 HG LEU 129 HG LEU 129 -4.299 6.138 15.760 1138 HD11 LEU 129 HD11 LEU 129 -4.089 5.222 18.027 1139 HD12 LEU 129 HD12 LEU 129 -5.765 4.668 17.974 1140 HD13 LEU 129 HD13 LEU 129 -5.401 6.396 17.923 1141 HD21 LEU 129 HD21 LEU 129 -3.454 3.849 16.052 1142 HD22 LEU 129 HD22 LEU 129 -4.305 4.027 14.521 1143 HD23 LEU 129 HD23 LEU 129 -5.091 3.209 15.875 1144 H VAL 130 H VAL 130 -6.681 8.345 13.357 1145 HA VAL 130 HA VAL 130 -3.924 8.641 12.337 1146 HB VAL 130 HB VAL 130 -6.271 10.520 11.851 1147 HG11 VAL 130 HG11 VAL 130 -3.552 10.352 10.492 1148 HG12 VAL 130 HG12 VAL 130 -4.089 11.616 11.604 1149 HG13 VAL 130 HG13 VAL 130 -4.867 11.441 10.030 1150 HG21 VAL 130 HG21 VAL 130 -6.456 9.538 9.586 1151 HG22 VAL 130 HG22 VAL 130 -6.779 8.332 10.833 1152 HG23 VAL 130 HG23 VAL 130 -5.222 8.340 9.999 1153 HA PRO 131 HA PRO 131 -3.465 10.853 16.365 1154 HB2 PRO 131 HB2 PRO 131 -0.735 10.813 16.420 1155 HB3 PRO 131 HB3 PRO 131 -1.702 9.383 16.814 1156 HG2 PRO 131 HG2 PRO 131 -0.379 10.103 14.192 1157 HG3 PRO 131 HG3 PRO 131 -0.322 8.563 15.082 1158 HD2 PRO 131 HD2 PRO 131 -2.019 8.922 13.011 1159 HD3 PRO 131 HD3 PRO 131 -2.486 7.951 14.428 1160 H VAL 132 H VAL 132 -1.849 12.752 16.929 1161 HA VAL 132 HA VAL 132 -2.621 14.992 15.436 1162 HB VAL 132 HB VAL 132 -2.018 15.091 17.840 1163 HG11 VAL 132 HG11 VAL 132 0.883 14.798 16.971 1164 HG12 VAL 132 HG12 VAL 132 -0.056 13.606 17.869 1165 HG13 VAL 132 HG13 VAL 132 0.330 15.160 18.610 1166 HG21 VAL 132 HG21 VAL 132 -0.850 17.279 17.832 1167 HG22 VAL 132 HG22 VAL 132 -2.081 17.201 16.572 1168 HG23 VAL 132 HG23 VAL 132 -0.378 17.020 16.149 1169 H GLY 133 H GLY 133 0.360 13.078 15.308 1170 HA2 GLY 133 HA2 GLY 133 1.833 14.766 13.516 1171 HA3 GLY 133 HA3 GLY 133 2.188 13.088 13.906 1172 H GLY 134 H GLY 134 -0.726 12.527 13.051 1173 HA2 GLY 134 HA2 GLY 134 -1.985 12.123 11.175 1174 HA3 GLY 134 HA3 GLY 134 -0.845 13.047 10.213 1175 H GLN 135 H GLN 135 -1.965 10.705 9.243 1176 HA GLN 135 HA GLN 135 0.259 8.727 9.297 1177 HB2 GLN 135 HB2 GLN 135 -2.709 8.274 8.718 1178 HB3 GLN 135 HB3 GLN 135 -1.463 7.046 8.513 1179 HG2 GLN 135 HG2 GLN 135 -2.308 8.343 11.119 1180 HG3 GLN 135 HG3 GLN 135 -2.669 6.699 10.589 1181 HE21 GLN 135 HE21 GLN 135 -0.218 8.833 11.850 1182 HE22 GLN 135 HE22 GLN 135 0.916 7.607 12.258 1183 H TYR 136 H TYR 136 0.946 7.866 7.304 1184 HA TYR 136 HA TYR 136 0.214 9.373 4.905 1185 HB2 TYR 136 HB2 TYR 136 2.597 7.821 5.722 1186 HB3 TYR 136 HB3 TYR 136 2.076 7.421 4.089 1187 HD1 TYR 136 HD1 TYR 136 1.501 9.511 2.546 1188 HD2 TYR 136 HD2 TYR 136 4.040 9.699 5.977 1189 HE1 TYR 136 HE1 TYR 136 2.528 11.562 1.672 1190 HE2 TYR 136 HE2 TYR 136 5.058 11.752 5.102 1191 HH TYR 136 HH TYR 136 5.390 12.900 3.063 1192 H LEU 137 H LEU 137 -1.387 8.718 3.730 1193 HA LEU 137 HA LEU 137 -2.494 6.039 3.904 1194 HB2 LEU 137 HB2 LEU 137 -3.671 8.484 3.578 1195 HB3 LEU 137 HB3 LEU 137 -3.511 8.031 1.895 1196 HG LEU 137 HG LEU 137 -5.151 6.673 4.055 1197 HD11 LEU 137 HD11 LEU 137 -5.934 7.837 1.375 1198 HD12 LEU 137 HD12 LEU 137 -6.176 8.584 2.955 1199 HD13 LEU 137 HD13 LEU 137 -7.027 7.094 2.551 1200 HD21 LEU 137 HD21 LEU 137 -4.088 4.839 2.845 1201 HD22 LEU 137 HD22 LEU 137 -4.592 5.521 1.299 1202 HD23 LEU 137 HD23 LEU 137 -5.800 4.922 2.438 1203 H ARG 138 H ARG 138 -1.534 4.498 2.681 1204 HA ARG 138 HA ARG 138 -0.686 5.168 -0.072 1205 HB2 ARG 138 HB2 ARG 138 1.229 3.790 0.048 1206 HB3 ARG 138 HB3 ARG 138 1.247 4.664 1.558 1207 HG2 ARG 138 HG2 ARG 138 0.510 1.734 1.150 1208 HG3 ARG 138 HG3 ARG 138 1.987 2.375 1.875 1209 HD2 ARG 138 HD2 ARG 138 0.639 3.366 3.732 1210 HD3 ARG 138 HD3 ARG 138 -0.804 2.609 3.047 1211 HE ARG 138 HE ARG 138 1.478 0.897 3.760 1212 HH11 ARG 138 HH11 ARG 138 -1.797 1.949 4.531 1213 HH12 ARG 138 HH12 ARG 138 -2.073 0.660 5.648 1214 HH21 ARG 138 HH21 ARG 138 1.074 -0.789 5.208 1215 HH22 ARG 138 HH22 ARG 138 -0.449 -0.899 6.026 1216 H GLU 139 H GLU 139 -1.343 3.747 -1.722 1217 HA GLU 139 HA GLU 139 -3.553 2.004 -1.021 1218 HB2 GLU 139 HB2 GLU 139 -3.413 3.371 -3.152 1219 HB3 GLU 139 HB3 GLU 139 -2.185 2.261 -3.732 1220 HG2 GLU 139 HG2 GLU 139 -4.323 1.679 -4.695 1221 HG3 GLU 139 HG3 GLU 139 -3.826 0.404 -3.578 Start of MODEL 3 1 H MET 1 H MET 1 1.150 -0.002 1.380 2 HA MET 1 HA MET 1 2.363 -1.239 -0.250 3 HB2 MET 1 HB2 MET 1 0.510 -1.730 -1.765 4 HB3 MET 1 HB3 MET 1 0.365 -0.034 -2.198 5 HG2 MET 1 HG2 MET 1 1.503 -1.444 -3.927 6 HG3 MET 1 HG3 MET 1 2.448 -0.060 -3.373 7 HE1 MET 1 HE1 MET 1 4.815 -0.759 -4.041 8 HE2 MET 1 HE2 MET 1 4.092 -2.077 -4.967 9 HE3 MET 1 HE3 MET 1 5.451 -2.397 -3.891 10 H SER 2 H SER 2 4.206 -0.298 -1.206 11 HA SER 2 HA SER 2 4.980 2.131 -0.056 12 HB2 SER 2 HB2 SER 2 6.503 0.236 -0.588 13 HB3 SER 2 HB3 SER 2 6.360 0.612 -2.306 14 HG SER 2 HG SER 2 7.066 2.789 -0.806 15 H LYS 3 H LYS 3 3.307 1.703 -3.032 16 HA LYS 3 HA LYS 3 4.275 3.872 -4.573 17 HB2 LYS 3 HB2 LYS 3 2.105 3.724 -5.800 18 HB3 LYS 3 HB3 LYS 3 2.880 2.156 -5.607 19 HG2 LYS 3 HG2 LYS 3 1.335 1.467 -3.933 20 HG3 LYS 3 HG3 LYS 3 0.717 3.102 -3.702 21 HD2 LYS 3 HD2 LYS 3 0.379 1.568 -6.309 22 HD3 LYS 3 HD3 LYS 3 -0.788 1.482 -4.984 23 HE2 LYS 3 HE2 LYS 3 -1.023 3.989 -5.116 24 HE3 LYS 3 HE3 LYS 3 -0.007 3.958 -6.562 25 HZ1 LYS 3 HZ1 LYS 3 -2.295 3.991 -7.180 26 HZ2 LYS 3 HZ2 LYS 3 -2.646 2.662 -6.195 27 HZ3 LYS 3 HZ3 LYS 3 -1.677 2.466 -7.565 28 H ILE 4 H ILE 4 2.314 3.857 -1.722 29 HA ILE 4 HA ILE 4 1.193 5.379 -0.505 30 HB ILE 4 HB ILE 4 2.565 7.536 -2.199 31 HG12 ILE 4 HG12 ILE 4 4.248 5.978 -1.275 32 HG13 ILE 4 HG13 ILE 4 4.373 7.543 -0.483 33 HG21 ILE 4 HG21 ILE 4 0.826 8.558 -0.809 34 HG22 ILE 4 HG22 ILE 4 2.408 8.984 -0.161 35 HG23 ILE 4 HG23 ILE 4 1.436 7.738 0.628 36 HD11 ILE 4 HD11 ILE 4 3.105 5.049 0.658 37 HD12 ILE 4 HD12 ILE 4 3.170 6.617 1.469 38 HD13 ILE 4 HD13 ILE 4 4.660 5.748 1.105 39 H VAL 5 H VAL 5 -0.522 7.378 -0.900 40 HA VAL 5 HA VAL 5 -1.397 7.707 -3.663 41 HB VAL 5 HB VAL 5 -3.893 7.753 -2.829 42 HG11 VAL 5 HG11 VAL 5 -4.279 5.409 -3.443 43 HG12 VAL 5 HG12 VAL 5 -2.556 5.058 -3.251 44 HG13 VAL 5 HG13 VAL 5 -3.099 6.161 -4.520 45 HG21 VAL 5 HG21 VAL 5 -2.736 5.882 -0.738 46 HG22 VAL 5 HG22 VAL 5 -4.454 6.149 -1.037 47 HG23 VAL 5 HG23 VAL 5 -3.449 7.468 -0.436 48 H GLY 6 H GLY 6 -1.726 8.579 -0.251 49 HA2 GLY 6 HA2 GLY 6 -1.149 11.345 -0.744 50 HA3 GLY 6 HA3 GLY 6 -2.835 11.052 -0.311 51 H VAL 7 H VAL 7 -2.195 12.468 1.489 52 HA VAL 7 HA VAL 7 -1.263 10.816 3.771 53 HB VAL 7 HB VAL 7 0.215 12.812 3.226 54 HG11 VAL 7 HG11 VAL 7 -0.522 15.085 3.807 55 HG12 VAL 7 HG12 VAL 7 -2.149 14.488 4.137 56 HG13 VAL 7 HG13 VAL 7 -1.498 14.412 2.498 57 HG21 VAL 7 HG21 VAL 7 0.480 13.567 5.574 58 HG22 VAL 7 HG22 VAL 7 0.263 11.819 5.470 59 HG23 VAL 7 HG23 VAL 7 -1.079 12.844 5.982 60 H THR 8 H THR 8 -2.491 10.991 5.678 61 HA THR 8 HA THR 8 -5.116 12.312 5.499 62 HB THR 8 HB THR 8 -5.542 9.930 5.291 63 HG1 THR 8 HG1 THR 8 -6.965 11.151 6.645 64 HG21 THR 8 HG21 THR 8 -4.912 8.282 7.029 65 HG22 THR 8 HG22 THR 8 -3.982 9.523 7.873 66 HG23 THR 8 HG23 THR 8 -3.490 8.993 6.262 67 H TYR 9 H TYR 9 -5.617 13.604 7.149 68 HA TYR 9 HA TYR 9 -3.996 13.607 9.616 69 HB2 TYR 9 HB2 TYR 9 -4.365 15.848 7.646 70 HB3 TYR 9 HB3 TYR 9 -4.484 16.296 9.340 71 HD1 TYR 9 HD1 TYR 9 -2.549 16.053 10.846 72 HD2 TYR 9 HD2 TYR 9 -2.192 15.238 6.667 73 HE1 TYR 9 HE1 TYR 9 -0.111 16.176 11.035 74 HE2 TYR 9 HE2 TYR 9 0.260 15.359 6.858 75 HH TYR 9 HH TYR 9 1.875 15.139 9.699 76 HA PRO 10 HA PRO 10 -8.065 13.962 11.512 77 HB2 PRO 10 HB2 PRO 10 -7.357 14.624 14.045 78 HB3 PRO 10 HB3 PRO 10 -7.043 13.011 13.387 79 HG2 PRO 10 HG2 PRO 10 -5.149 15.357 13.615 80 HG3 PRO 10 HG3 PRO 10 -4.876 13.659 14.063 81 HD2 PRO 10 HD2 PRO 10 -4.005 14.695 11.701 82 HD3 PRO 10 HD3 PRO 10 -4.515 12.999 11.861 83 H ILE 11 H ILE 11 -5.848 16.498 11.048 84 HA ILE 11 HA ILE 11 -5.649 18.679 11.468 85 HB ILE 11 HB ILE 11 -8.623 18.941 10.895 86 HG12 ILE 11 HG12 ILE 11 -7.603 17.473 9.143 87 HG13 ILE 11 HG13 ILE 11 -8.124 19.017 8.484 88 HG21 ILE 11 HG21 ILE 11 -7.940 21.122 9.903 89 HG22 ILE 11 HG22 ILE 11 -6.269 20.804 10.374 90 HG23 ILE 11 HG23 ILE 11 -7.510 21.008 11.610 91 HD11 ILE 11 HD11 ILE 11 -5.801 19.791 8.462 92 HD12 ILE 11 HD12 ILE 11 -6.007 18.304 7.540 93 HD13 ILE 11 HD13 ILE 11 -5.278 18.247 9.144 94 HA PRO 12 HA PRO 12 -7.215 18.394 15.835 95 HB2 PRO 12 HB2 PRO 12 -4.860 18.738 17.108 96 HB3 PRO 12 HB3 PRO 12 -5.267 17.196 16.338 97 HG2 PRO 12 HG2 PRO 12 -3.541 19.446 15.288 98 HG3 PRO 12 HG3 PRO 12 -3.217 17.698 15.293 99 HD2 PRO 12 HD2 PRO 12 -4.191 19.030 13.095 100 HD3 PRO 12 HD3 PRO 12 -4.521 17.315 13.419 101 H LYS 13 H LYS 13 -6.610 20.851 13.899 102 HA LYS 13 HA LYS 13 -6.645 22.983 15.933 103 HB2 LYS 13 HB2 LYS 13 -5.738 22.859 13.066 104 HB3 LYS 13 HB3 LYS 13 -6.482 24.364 13.578 105 HG2 LYS 13 HG2 LYS 13 -4.000 24.395 13.724 106 HG3 LYS 13 HG3 LYS 13 -4.794 24.730 15.264 107 HD2 LYS 13 HD2 LYS 13 -4.376 22.362 15.953 108 HD3 LYS 13 HD3 LYS 13 -3.521 22.090 14.430 109 HE2 LYS 13 HE2 LYS 13 -1.792 23.677 15.056 110 HE3 LYS 13 HE3 LYS 13 -2.711 24.191 16.473 111 HZ1 LYS 13 HZ1 LYS 13 -2.452 21.939 17.372 112 HZ2 LYS 13 HZ2 LYS 13 -0.964 22.706 17.122 113 HZ3 LYS 13 HZ3 LYS 13 -1.495 21.521 16.040 114 H ARG 14 H ARG 14 -8.230 24.571 15.837 115 HA ARG 14 HA ARG 14 -10.896 23.768 15.333 116 HB2 ARG 14 HB2 ARG 14 -11.445 26.132 16.015 117 HB3 ARG 14 HB3 ARG 14 -10.380 25.285 17.133 118 HG2 ARG 14 HG2 ARG 14 -8.424 26.470 15.968 119 HG3 ARG 14 HG3 ARG 14 -9.630 27.474 15.161 120 HD2 ARG 14 HD2 ARG 14 -10.407 28.322 17.330 121 HD3 ARG 14 HD3 ARG 14 -9.306 27.230 18.181 122 HE ARG 14 HE ARG 14 -8.431 29.490 16.458 123 HH11 ARG 14 HH11 ARG 14 -7.850 27.420 19.247 124 HH12 ARG 14 HH12 ARG 14 -6.495 28.352 19.791 125 HH21 ARG 14 HH21 ARG 14 -6.648 30.677 17.191 126 HH22 ARG 14 HH22 ARG 14 -5.800 30.182 18.617 127 H PHE 15 H PHE 15 -8.617 24.894 13.154 128 HA PHE 15 HA PHE 15 -10.483 26.185 11.287 129 HB2 PHE 15 HB2 PHE 15 -7.449 25.857 11.242 130 HB3 PHE 15 HB3 PHE 15 -8.376 26.708 10.010 131 HD1 PHE 15 HD1 PHE 15 -9.712 28.763 10.678 132 HD2 PHE 15 HD2 PHE 15 -6.785 26.997 13.249 133 HE1 PHE 15 HE1 PHE 15 -9.610 30.833 11.994 134 HE2 PHE 15 HE2 PHE 15 -6.694 29.078 14.560 135 HZ PHE 15 HZ PHE 15 -8.110 30.992 13.937 136 H MET 16 H MET 16 -10.486 23.199 11.845 137 HA MET 16 HA MET 16 -9.620 21.773 9.547 138 HB2 MET 16 HB2 MET 16 -11.115 19.983 10.265 139 HB3 MET 16 HB3 MET 16 -10.334 20.672 11.680 140 HG2 MET 16 HG2 MET 16 -12.377 21.928 12.213 141 HG3 MET 16 HG3 MET 16 -13.158 21.281 10.771 142 HE1 MET 16 HE1 MET 16 -15.228 20.457 12.207 143 HE2 MET 16 HE2 MET 16 -14.489 21.085 13.682 144 HE3 MET 16 HE3 MET 16 -15.084 19.427 13.632 145 H ASP 17 H ASP 17 -12.347 23.799 10.166 146 HA ASP 17 HA ASP 17 -14.149 22.850 8.177 147 HB2 ASP 17 HB2 ASP 17 -14.074 25.504 9.666 148 HB3 ASP 17 HB3 ASP 17 -15.459 24.872 8.774 149 H ARG 18 H ARG 18 -11.458 24.990 8.064 150 HA ARG 18 HA ARG 18 -12.220 26.890 6.145 151 HB2 ARG 18 HB2 ARG 18 -9.485 25.805 6.903 152 HB3 ARG 18 HB3 ARG 18 -9.710 27.169 5.804 153 HG2 ARG 18 HG2 ARG 18 -10.680 27.071 8.678 154 HG3 ARG 18 HG3 ARG 18 -9.206 27.865 8.128 155 HD2 ARG 18 HD2 ARG 18 -10.510 29.422 6.769 156 HD3 ARG 18 HD3 ARG 18 -12.010 28.590 7.200 157 HE ARG 18 HE ARG 18 -10.358 30.296 8.946 158 HH11 ARG 18 HH11 ARG 18 -13.334 28.441 8.515 159 HH12 ARG 18 HH12 ARG 18 -14.086 29.094 9.930 160 HH21 ARG 18 HH21 ARG 18 -11.372 31.137 10.792 161 HH22 ARG 18 HH22 ARG 18 -12.969 30.624 11.224 162 H PHE 19 H PHE 19 -10.851 23.665 5.695 163 HA PHE 19 HA PHE 19 -10.313 23.872 2.905 164 HB2 PHE 19 HB2 PHE 19 -10.917 21.378 4.558 165 HB3 PHE 19 HB3 PHE 19 -10.129 21.399 2.985 166 HD1 PHE 19 HD1 PHE 19 -9.700 22.238 6.584 167 HD2 PHE 19 HD2 PHE 19 -7.770 21.904 2.781 168 HE1 PHE 19 HE1 PHE 19 -7.503 22.418 7.675 169 HE2 PHE 19 HE2 PHE 19 -5.583 22.082 3.883 170 HZ PHE 19 HZ PHE 19 -5.452 22.350 6.315 171 H PHE 20 H PHE 20 -13.171 23.133 4.776 172 HA PHE 20 HA PHE 20 -14.767 22.250 2.462 173 HB2 PHE 20 HB2 PHE 20 -15.577 22.405 5.401 174 HB3 PHE 20 HB3 PHE 20 -16.396 21.515 4.122 175 HD1 PHE 20 HD1 PHE 20 -15.011 19.617 2.961 176 HD2 PHE 20 HD2 PHE 20 -14.013 21.266 6.776 177 HE1 PHE 20 HE1 PHE 20 -13.716 17.605 3.493 178 HE2 PHE 20 HE2 PHE 20 -12.714 19.242 7.301 179 HZ PHE 20 HZ PHE 20 -12.568 17.410 5.661 180 H LYS 21 H LYS 21 -14.005 25.081 4.072 181 HA LYS 21 HA LYS 21 -16.553 26.471 3.931 182 HB2 LYS 21 HB2 LYS 21 -15.105 26.916 5.823 183 HB3 LYS 21 HB3 LYS 21 -13.732 27.255 4.789 184 HG2 LYS 21 HG2 LYS 21 -16.140 29.061 4.627 185 HG3 LYS 21 HG3 LYS 21 -15.078 29.192 6.027 186 HD2 LYS 21 HD2 LYS 21 -13.151 29.653 4.543 187 HD3 LYS 21 HD3 LYS 21 -14.187 29.477 3.126 188 HE2 LYS 21 HE2 LYS 21 -14.449 31.617 5.262 189 HE3 LYS 21 HE3 LYS 21 -13.799 31.846 3.640 190 HZ1 LYS 21 HZ1 LYS 21 -15.971 31.261 2.742 191 HZ2 LYS 21 HZ2 LYS 21 -16.081 32.584 3.786 192 HZ3 LYS 21 HZ3 LYS 21 -16.588 31.060 4.303 193 H LYS 22 H LYS 22 -13.342 26.740 2.428 194 HA LYS 22 HA LYS 22 -14.327 28.734 0.492 195 HB2 LYS 22 HB2 LYS 22 -11.936 29.268 0.158 196 HB3 LYS 22 HB3 LYS 22 -12.392 29.363 1.858 197 HG2 LYS 22 HG2 LYS 22 -11.467 26.983 2.081 198 HG3 LYS 22 HG3 LYS 22 -10.776 27.204 0.480 199 HD2 LYS 22 HD2 LYS 22 -9.084 27.649 2.138 200 HD3 LYS 22 HD3 LYS 22 -9.492 29.172 1.344 201 HE2 LYS 22 HE2 LYS 22 -10.729 29.907 3.286 202 HE3 LYS 22 HE3 LYS 22 -10.642 28.303 4.021 203 HZ1 LYS 22 HZ1 LYS 22 -8.317 30.074 3.500 204 HZ2 LYS 22 HZ2 LYS 22 -8.246 28.539 4.198 205 HZ3 LYS 22 HZ3 LYS 22 -9.031 29.803 5.003 206 H GLY 23 H GLY 23 -13.521 25.402 0.640 207 HA2 GLY 23 HA2 GLY 23 -13.918 23.822 -1.028 208 HA3 GLY 23 HA3 GLY 23 -13.990 25.095 -2.233 209 H LYS 24 H LYS 24 -11.339 26.130 -1.177 210 HA LYS 24 HA LYS 24 -9.418 24.051 -1.856 211 HB2 LYS 24 HB2 LYS 24 -8.281 25.515 -3.538 212 HB3 LYS 24 HB3 LYS 24 -9.840 24.913 -4.068 213 HG2 LYS 24 HG2 LYS 24 -10.870 27.034 -3.902 214 HG3 LYS 24 HG3 LYS 24 -9.595 27.683 -2.869 215 HD2 LYS 24 HD2 LYS 24 -9.205 26.897 -5.784 216 HD3 LYS 24 HD3 LYS 24 -9.529 28.545 -5.235 217 HE2 LYS 24 HE2 LYS 24 -7.435 28.630 -4.027 218 HE3 LYS 24 HE3 LYS 24 -7.145 26.908 -4.287 219 HZ1 LYS 24 HZ1 LYS 24 -7.218 28.985 -6.400 220 HZ2 LYS 24 HZ2 LYS 24 -6.927 27.338 -6.642 221 HZ3 LYS 24 HZ3 LYS 24 -5.829 28.266 -5.758 222 H ASP 25 H ASP 25 -7.842 24.199 -0.383 223 HA ASP 25 HA ASP 25 -7.388 26.759 1.058 224 HB2 ASP 25 HB2 ASP 25 -8.862 25.058 2.261 225 HB3 ASP 25 HB3 ASP 25 -7.475 23.986 2.312 226 H VAL 26 H VAL 26 -5.266 26.530 2.440 227 HA VAL 26 HA VAL 26 -3.219 24.891 1.049 228 HB VAL 26 HB VAL 26 -2.884 27.768 2.034 229 HG11 VAL 26 HG11 VAL 26 -0.734 25.891 0.966 230 HG12 VAL 26 HG12 VAL 26 -0.864 26.503 2.618 231 HG13 VAL 26 HG13 VAL 26 -0.520 27.615 1.293 232 HG21 VAL 26 HG21 VAL 26 -2.627 26.600 -0.765 233 HG22 VAL 26 HG22 VAL 26 -2.316 28.280 -0.320 234 HG23 VAL 26 HG23 VAL 26 -3.945 27.620 -0.177 235 H PHE 27 H PHE 27 -2.739 23.342 2.456 236 HA PHE 27 HA PHE 27 -2.830 23.745 5.350 237 HB2 PHE 27 HB2 PHE 27 -3.776 21.651 4.391 238 HB3 PHE 27 HB3 PHE 27 -2.202 21.234 3.728 239 HD1 PHE 27 HD1 PHE 27 -3.952 21.901 6.966 240 HD2 PHE 27 HD2 PHE 27 -0.686 19.945 5.038 241 HE1 PHE 27 HE1 PHE 27 -3.437 20.718 9.046 242 HE2 PHE 27 HE2 PHE 27 -0.173 18.762 7.128 243 HZ PHE 27 HZ PHE 27 -1.550 19.139 9.132 244 H VAL 28 H VAL 28 -1.082 24.699 6.207 245 HA VAL 28 HA VAL 28 1.593 24.296 5.068 246 HB VAL 28 HB VAL 28 2.294 26.086 6.750 247 HG11 VAL 28 HG11 VAL 28 1.891 26.638 4.392 248 HG12 VAL 28 HG12 VAL 28 1.329 27.957 5.423 249 HG13 VAL 28 HG13 VAL 28 0.163 26.840 4.708 250 HG21 VAL 28 HG21 VAL 28 0.500 27.485 7.756 251 HG22 VAL 28 HG22 VAL 28 0.454 25.832 8.368 252 HG23 VAL 28 HG23 VAL 28 -0.723 26.352 7.156 253 H LYS 29 H LYS 29 3.164 23.190 6.013 254 HA LYS 29 HA LYS 29 3.027 22.426 8.849 255 HB2 LYS 29 HB2 LYS 29 3.642 20.643 6.473 256 HB3 LYS 29 HB3 LYS 29 4.507 20.347 7.984 257 HG2 LYS 29 HG2 LYS 29 1.540 20.102 7.448 258 HG3 LYS 29 HG3 LYS 29 2.669 18.871 8.034 259 HD2 LYS 29 HD2 LYS 29 2.939 20.450 10.117 260 HD3 LYS 29 HD3 LYS 29 1.464 21.224 9.535 261 HE2 LYS 29 HE2 LYS 29 0.790 19.653 11.184 262 HE3 LYS 29 HE3 LYS 29 0.380 18.908 9.639 263 HZ1 LYS 29 HZ1 LYS 29 2.842 18.340 11.195 264 HZ2 LYS 29 HZ2 LYS 29 2.341 17.550 9.780 265 HZ3 LYS 29 HZ3 LYS 29 1.450 17.379 11.208 266 HA PRO 30 HA PRO 30 7.352 23.950 8.833 267 HB2 PRO 30 HB2 PRO 30 8.093 23.105 11.316 268 HB3 PRO 30 HB3 PRO 30 7.009 24.484 11.089 269 HG2 PRO 30 HG2 PRO 30 6.325 21.619 11.755 270 HG3 PRO 30 HG3 PRO 30 5.704 23.115 12.491 271 HD2 PRO 30 HD2 PRO 30 4.326 21.740 10.571 272 HD3 PRO 30 HD3 PRO 30 4.212 23.510 10.743 273 H ALA 31 H ALA 31 7.018 21.878 7.186 274 HA ALA 31 HA ALA 31 7.498 19.772 6.436 275 HB1 ALA 31 HB1 ALA 31 10.269 20.730 7.194 276 HB2 ALA 31 HB2 ALA 31 9.381 21.180 5.738 277 HB3 ALA 31 HB3 ALA 31 9.885 19.507 5.982 278 H THR 32 H THR 32 6.332 18.926 8.407 279 HA THR 32 HA THR 32 7.980 17.374 10.275 280 HB THR 32 HB THR 32 4.936 17.586 10.135 281 HG1 THR 32 HG1 THR 32 6.877 19.224 11.423 282 HG21 THR 32 HG21 THR 32 5.008 16.945 12.517 283 HG22 THR 32 HG22 THR 32 6.766 16.819 12.448 284 HG23 THR 32 HG23 THR 32 5.764 15.697 11.524 285 H VAL 33 H VAL 33 6.045 17.028 7.429 286 HA VAL 33 HA VAL 33 5.596 14.182 7.554 287 HB VAL 33 HB VAL 33 4.635 14.432 5.285 288 HG11 VAL 33 HG11 VAL 33 3.646 16.579 7.196 289 HG12 VAL 33 HG12 VAL 33 3.178 14.877 7.209 290 HG13 VAL 33 HG13 VAL 33 2.733 15.901 5.843 291 HG21 VAL 33 HG21 VAL 33 6.156 16.135 4.362 292 HG22 VAL 33 HG22 VAL 33 5.484 17.354 5.447 293 HG23 VAL 33 HG23 VAL 33 4.475 16.647 4.181 294 H TRP 34 H TRP 34 6.510 12.626 6.154 295 HA TRP 34 HA TRP 34 9.261 12.814 5.466 296 HB2 TRP 34 HB2 TRP 34 7.832 10.718 6.022 297 HB3 TRP 34 HB3 TRP 34 7.277 10.776 4.357 298 HD1 TRP 34 HD1 TRP 34 9.032 9.976 2.470 299 HE1 TRP 34 HE1 TRP 34 11.197 8.603 2.589 300 HE3 TRP 34 HE3 TRP 34 9.937 10.322 7.496 301 HZ2 TRP 34 HZ2 TRP 34 13.054 7.780 4.533 302 HZ3 TRP 34 HZ3 TRP 34 11.934 9.206 8.409 303 HH2 TRP 34 HH2 TRP 34 13.462 7.959 6.956 304 H LYS 35 H LYS 35 10.015 12.291 3.098 305 HA LYS 35 HA LYS 35 9.266 14.472 1.432 306 HB2 LYS 35 HB2 LYS 35 11.572 13.374 1.616 307 HB3 LYS 35 HB3 LYS 35 10.948 12.083 0.597 308 HG2 LYS 35 HG2 LYS 35 10.404 13.976 -1.114 309 HG3 LYS 35 HG3 LYS 35 11.453 14.988 -0.122 310 HD2 LYS 35 HD2 LYS 35 12.725 14.078 -1.996 311 HD3 LYS 35 HD3 LYS 35 13.320 13.369 -0.491 312 HE2 LYS 35 HE2 LYS 35 12.078 11.312 -0.926 313 HE3 LYS 35 HE3 LYS 35 11.332 12.026 -2.355 314 HZ1 LYS 35 HZ1 LYS 35 13.475 12.132 -3.399 315 HZ2 LYS 35 HZ2 LYS 35 13.160 10.552 -2.897 316 HZ3 LYS 35 HZ3 LYS 35 14.227 11.519 -2.018 317 H GLU 36 H GLU 36 7.605 11.597 1.820 318 HA GLU 36 HA GLU 36 6.872 10.718 -0.733 319 HB2 GLU 36 HB2 GLU 36 5.039 10.767 1.702 320 HB3 GLU 36 HB3 GLU 36 4.919 9.682 0.320 321 HG2 GLU 36 HG2 GLU 36 7.115 9.711 2.420 322 HG3 GLU 36 HG3 GLU 36 5.803 8.541 2.291 323 H LEU 37 H LEU 37 5.783 13.517 1.102 324 HA LEU 37 HA LEU 37 3.382 14.114 -0.238 325 HB2 LEU 37 HB2 LEU 37 4.724 15.205 1.932 326 HB3 LEU 37 HB3 LEU 37 4.935 16.468 0.743 327 HG LEU 37 HG LEU 37 3.020 17.048 2.043 328 HD11 LEU 37 HD11 LEU 37 1.952 15.924 -0.556 329 HD12 LEU 37 HD12 LEU 37 2.763 17.485 -0.356 330 HD13 LEU 37 HD13 LEU 37 1.218 17.188 0.440 331 HD21 LEU 37 HD21 LEU 37 1.873 14.299 1.495 332 HD22 LEU 37 HD22 LEU 37 1.082 15.605 2.387 333 HD23 LEU 37 HD23 LEU 37 2.547 14.864 3.026 334 H LYS 38 H LYS 38 3.125 14.590 -2.325 335 HA LYS 38 HA LYS 38 4.872 16.470 -3.715 336 HB2 LYS 38 HB2 LYS 38 5.223 15.015 -5.648 337 HB3 LYS 38 HB3 LYS 38 5.815 14.214 -4.207 338 HG2 LYS 38 HG2 LYS 38 4.731 12.423 -5.159 339 HG3 LYS 38 HG3 LYS 38 3.378 13.092 -4.245 340 HD2 LYS 38 HD2 LYS 38 2.604 12.553 -6.465 341 HD3 LYS 38 HD3 LYS 38 2.623 14.299 -6.299 342 HE2 LYS 38 HE2 LYS 38 4.754 14.385 -7.553 343 HE3 LYS 38 HE3 LYS 38 4.719 12.628 -7.728 344 HZ1 LYS 38 HZ1 LYS 38 2.732 14.550 -8.811 345 HZ2 LYS 38 HZ2 LYS 38 2.614 12.867 -8.939 346 HZ3 LYS 38 HZ3 LYS 38 3.881 13.688 -9.702 347 HA PRO 39 HA PRO 39 0.913 17.867 -5.380 348 HB2 PRO 39 HB2 PRO 39 1.697 18.965 -7.779 349 HB3 PRO 39 HB3 PRO 39 1.967 19.751 -6.218 350 HG2 PRO 39 HG2 PRO 39 3.879 18.143 -7.891 351 HG3 PRO 39 HG3 PRO 39 4.167 19.651 -6.997 352 HD2 PRO 39 HD2 PRO 39 4.914 17.198 -6.041 353 HD3 PRO 39 HD3 PRO 39 4.445 18.542 -4.966 354 H GLY 40 H GLY 40 -0.361 16.186 -5.831 355 HA2 GLY 40 HA2 GLY 40 -1.323 15.205 -8.062 356 HA3 GLY 40 HA3 GLY 40 0.193 14.307 -8.036 357 H MET 41 H MET 41 -0.343 14.628 -4.922 358 HA MET 41 HA MET 41 -1.550 12.017 -4.533 359 HB2 MET 41 HB2 MET 41 -0.326 14.061 -2.625 360 HB3 MET 41 HB3 MET 41 -0.940 12.492 -2.108 361 HG2 MET 41 HG2 MET 41 0.752 11.327 -3.328 362 HG3 MET 41 HG3 MET 41 1.226 12.787 -4.196 363 HE1 MET 41 HE1 MET 41 2.149 12.144 0.294 364 HE2 MET 41 HE2 MET 41 1.269 10.967 -0.677 365 HE3 MET 41 HE3 MET 41 0.516 12.510 -0.265 366 H LYS 42 H LYS 42 -3.038 11.924 -2.480 367 HA LYS 42 HA LYS 42 -5.174 13.976 -2.625 368 HB2 LYS 42 HB2 LYS 42 -6.583 12.170 -1.487 369 HB3 LYS 42 HB3 LYS 42 -6.171 11.884 -3.170 370 HG2 LYS 42 HG2 LYS 42 -4.506 10.256 -2.549 371 HG3 LYS 42 HG3 LYS 42 -4.662 10.672 -0.847 372 HD2 LYS 42 HD2 LYS 42 -5.787 8.508 -1.518 373 HD3 LYS 42 HD3 LYS 42 -6.843 9.673 -0.702 374 HE2 LYS 42 HE2 LYS 42 -7.821 10.331 -2.851 375 HE3 LYS 42 HE3 LYS 42 -6.704 9.273 -3.714 376 HZ1 LYS 42 HZ1 LYS 42 -8.748 8.385 -1.763 377 HZ2 LYS 42 HZ2 LYS 42 -7.718 7.380 -2.637 378 HZ3 LYS 42 HZ3 LYS 42 -8.897 8.285 -3.441 379 H PHE 43 H PHE 43 -6.287 14.383 -0.537 380 HA PHE 43 HA PHE 43 -4.632 13.993 1.868 381 HB2 PHE 43 HB2 PHE 43 -4.355 16.329 0.750 382 HB3 PHE 43 HB3 PHE 43 -5.994 16.653 1.283 383 HD1 PHE 43 HD1 PHE 43 -6.242 15.828 3.983 384 HD2 PHE 43 HD2 PHE 43 -2.752 17.376 2.059 385 HE1 PHE 43 HE1 PHE 43 -5.382 16.589 6.149 386 HE2 PHE 43 HE2 PHE 43 -1.903 18.128 4.234 387 HZ PHE 43 HZ PHE 43 -3.212 17.738 6.278 388 H VAL 44 H VAL 44 -6.062 12.477 2.700 389 HA VAL 44 HA VAL 44 -8.916 13.009 2.772 390 HB VAL 44 HB VAL 44 -7.310 10.680 3.903 391 HG11 VAL 44 HG11 VAL 44 -9.379 10.981 5.212 392 HG12 VAL 44 HG12 VAL 44 -9.498 9.539 4.203 393 HG13 VAL 44 HG13 VAL 44 -10.334 11.019 3.726 394 HG21 VAL 44 HG21 VAL 44 -7.284 10.776 1.442 395 HG22 VAL 44 HG22 VAL 44 -9.046 10.911 1.408 396 HG23 VAL 44 HG23 VAL 44 -8.287 9.428 1.986 397 H PHE 45 H PHE 45 -9.843 14.153 4.276 398 HA PHE 45 HA PHE 45 -8.470 14.929 6.703 399 HB2 PHE 45 HB2 PHE 45 -11.230 15.694 5.657 400 HB3 PHE 45 HB3 PHE 45 -10.428 16.414 7.054 401 HD1 PHE 45 HD1 PHE 45 -8.156 17.557 6.671 402 HD2 PHE 45 HD2 PHE 45 -10.823 16.593 3.479 403 HE1 PHE 45 HE1 PHE 45 -6.982 19.134 5.205 404 HE2 PHE 45 HE2 PHE 45 -9.641 18.171 2.030 405 HZ PHE 45 HZ PHE 45 -7.722 19.437 2.881 406 H TYR 46 H TYR 46 -8.345 13.068 7.889 407 HA TYR 46 HA TYR 46 -10.620 11.719 8.983 408 HB2 TYR 46 HB2 TYR 46 -8.272 10.791 9.023 409 HB3 TYR 46 HB3 TYR 46 -7.801 12.076 10.126 410 HD1 TYR 46 HD1 TYR 46 -10.136 9.154 9.822 411 HD2 TYR 46 HD2 TYR 46 -7.986 11.707 12.491 412 HE1 TYR 46 HE1 TYR 46 -10.807 7.750 11.715 413 HE2 TYR 46 HE2 TYR 46 -8.663 10.290 14.388 414 HH TYR 46 HH TYR 46 -10.090 7.208 13.954 415 H GLN 47 H GLN 47 -11.075 12.022 11.430 416 HA GLN 47 HA GLN 47 -10.646 14.617 12.606 417 HB2 GLN 47 HB2 GLN 47 -12.496 15.063 10.941 418 HB3 GLN 47 HB3 GLN 47 -13.482 13.846 11.742 419 HG2 GLN 47 HG2 GLN 47 -13.329 15.249 13.844 420 HG3 GLN 47 HG3 GLN 47 -12.540 16.499 12.879 421 HE21 GLN 47 HE21 GLN 47 -13.761 17.588 11.290 422 HE22 GLN 47 HE22 GLN 47 -15.488 17.572 11.300 423 H SER 48 H SER 48 -11.359 14.645 14.805 424 HA SER 48 HA SER 48 -12.011 13.927 16.833 425 HB2 SER 48 HB2 SER 48 -13.596 11.735 15.418 426 HB3 SER 48 HB3 SER 48 -13.879 12.367 17.042 427 HG SER 48 HG SER 48 -14.338 13.599 14.541 428 H HIS 49 H HIS 49 -12.177 11.734 18.206 429 HA HIS 49 HA HIS 49 -10.016 9.842 17.435 430 HB2 HIS 49 HB2 HIS 49 -10.782 10.856 20.215 431 HB3 HIS 49 HB3 HIS 49 -9.659 9.534 19.922 432 HD1 HIS 49 HD1 HIS 49 -7.267 10.180 19.779 433 HD2 HIS 49 HD2 HIS 49 -9.767 13.416 19.032 434 HE1 HIS 49 HE1 HIS 49 -5.751 12.175 19.587 435 HE2 HIS 49 HE2 HIS 49 -7.268 14.089 18.994 436 H GLU 50 H GLU 50 -13.058 9.999 17.094 437 HA GLU 50 HA GLU 50 -14.151 7.943 18.842 438 HB2 GLU 50 HB2 GLU 50 -15.385 10.078 18.276 439 HB3 GLU 50 HB3 GLU 50 -15.514 9.527 16.610 440 HG2 GLU 50 HG2 GLU 50 -16.811 7.536 17.454 441 HG3 GLU 50 HG3 GLU 50 -16.765 8.252 19.064 442 H ASP 51 H ASP 51 -15.470 6.218 17.918 443 HA ASP 51 HA ASP 51 -14.474 4.277 16.388 444 HB2 ASP 51 HB2 ASP 51 -16.533 4.024 17.626 445 HB3 ASP 51 HB3 ASP 51 -17.354 5.212 16.627 446 H THR 52 H THR 52 -16.588 6.788 14.986 447 HA THR 52 HA THR 52 -15.413 6.327 12.304 448 HB THR 52 HB THR 52 -18.067 7.674 13.021 449 HG1 THR 52 HG1 THR 52 -18.987 5.765 12.719 450 HG21 THR 52 HG21 THR 52 -17.103 8.483 10.868 451 HG22 THR 52 HG22 THR 52 -18.566 7.531 10.612 452 HG23 THR 52 HG23 THR 52 -16.983 6.813 10.303 453 H GLY 53 H GLY 53 -14.560 8.144 11.206 454 HA2 GLY 53 HA2 GLY 53 -14.778 10.822 12.232 455 HA3 GLY 53 HA3 GLY 53 -13.223 10.085 12.601 456 H PHE 54 H PHE 54 -15.210 9.766 9.644 457 HA PHE 54 HA PHE 54 -13.064 11.109 8.102 458 HB2 PHE 54 HB2 PHE 54 -14.945 8.868 7.437 459 HB3 PHE 54 HB3 PHE 54 -14.644 10.019 6.143 460 HD1 PHE 54 HD1 PHE 54 -12.009 9.134 8.635 461 HD2 PHE 54 HD2 PHE 54 -13.531 8.398 4.695 462 HE1 PHE 54 HE1 PHE 54 -9.930 7.967 8.041 463 HE2 PHE 54 HE2 PHE 54 -11.444 7.228 4.125 464 HZ PHE 54 HZ PHE 54 -9.645 7.012 5.787 465 H VAL 55 H VAL 55 -13.486 13.220 8.112 466 HA VAL 55 HA VAL 55 -16.221 14.236 7.855 467 HB VAL 55 HB VAL 55 -14.838 15.314 9.529 468 HG11 VAL 55 HG11 VAL 55 -12.829 16.654 8.995 469 HG12 VAL 55 HG12 VAL 55 -12.918 16.112 7.317 470 HG13 VAL 55 HG13 VAL 55 -12.600 14.946 8.603 471 HG21 VAL 55 HG21 VAL 55 -15.124 17.686 8.927 472 HG22 VAL 55 HG22 VAL 55 -16.519 16.727 8.429 473 HG23 VAL 55 HG23 VAL 55 -15.329 17.236 7.229 474 H GLY 56 H GLY 56 -13.275 13.887 5.929 475 HA2 GLY 56 HA2 GLY 56 -14.662 14.003 3.498 476 HA3 GLY 56 HA3 GLY 56 -14.023 15.616 3.800 477 H GLU 57 H GLU 57 -12.951 15.099 1.735 478 HA GLU 57 HA GLU 57 -10.188 14.483 2.338 479 HB2 GLU 57 HB2 GLU 57 -9.752 12.925 0.594 480 HB3 GLU 57 HB3 GLU 57 -11.147 12.286 1.451 481 HG2 GLU 57 HG2 GLU 57 -12.633 12.875 -0.323 482 HG3 GLU 57 HG3 GLU 57 -11.430 13.901 -1.094 483 H ALA 58 H ALA 58 -8.902 14.912 0.151 484 HA ALA 58 HA ALA 58 -10.012 16.818 -1.691 485 HB1 ALA 58 HB1 ALA 58 -7.951 17.779 0.319 486 HB2 ALA 58 HB2 ALA 58 -9.622 18.330 0.193 487 HB3 ALA 58 HB3 ALA 58 -8.479 18.682 -1.105 488 H ARG 59 H ARG 59 -7.753 17.896 -2.765 489 HA ARG 59 HA ARG 59 -6.006 15.610 -3.445 490 HB2 ARG 59 HB2 ARG 59 -7.251 17.587 -5.408 491 HB3 ARG 59 HB3 ARG 59 -6.124 16.294 -5.829 492 HG2 ARG 59 HG2 ARG 59 -8.899 15.911 -4.642 493 HG3 ARG 59 HG3 ARG 59 -8.477 15.706 -6.346 494 HD2 ARG 59 HD2 ARG 59 -7.247 13.728 -5.919 495 HD3 ARG 59 HD3 ARG 59 -7.057 14.091 -4.206 496 HE ARG 59 HE ARG 59 -9.033 13.075 -3.776 497 HH11 ARG 59 HH11 ARG 59 -9.001 13.751 -7.239 498 HH12 ARG 59 HH12 ARG 59 -10.434 12.828 -7.541 499 HH21 ARG 59 HH21 ARG 59 -10.875 11.895 -4.188 500 HH22 ARG 59 HH22 ARG 59 -11.498 11.763 -5.802 501 H ILE 60 H ILE 60 -3.981 16.073 -3.107 502 HA ILE 60 HA ILE 60 -2.991 18.638 -2.370 503 HB ILE 60 HB ILE 60 -1.745 15.904 -2.766 504 HG12 ILE 60 HG12 ILE 60 -1.830 17.620 -0.251 505 HG13 ILE 60 HG13 ILE 60 -3.156 16.560 -0.685 506 HG21 ILE 60 HG21 ILE 60 0.003 17.433 -3.518 507 HG22 ILE 60 HG22 ILE 60 0.433 16.759 -1.947 508 HG23 ILE 60 HG23 ILE 60 -0.178 18.412 -2.059 509 HD11 ILE 60 HD11 ILE 60 -0.314 15.691 -0.152 510 HD12 ILE 60 HD12 ILE 60 -1.678 14.631 -0.533 511 HD13 ILE 60 HD13 ILE 60 -1.675 15.563 0.963 512 H LYS 61 H LYS 61 -1.842 20.036 -3.452 513 HA LYS 61 HA LYS 61 -1.180 19.746 -6.303 514 HB2 LYS 61 HB2 LYS 61 -2.623 22.069 -4.941 515 HB3 LYS 61 HB3 LYS 61 -2.065 22.101 -6.609 516 HG2 LYS 61 HG2 LYS 61 -4.127 20.173 -5.489 517 HG3 LYS 61 HG3 LYS 61 -4.510 21.675 -6.334 518 HD2 LYS 61 HD2 LYS 61 -2.898 19.410 -7.583 519 HD3 LYS 61 HD3 LYS 61 -4.650 19.556 -7.719 520 HE2 LYS 61 HE2 LYS 61 -4.310 21.829 -8.757 521 HE3 LYS 61 HE3 LYS 61 -2.574 21.496 -8.778 522 HZ1 LYS 61 HZ1 LYS 61 -4.663 19.863 -10.117 523 HZ2 LYS 61 HZ2 LYS 61 -2.993 19.586 -10.186 524 HZ3 LYS 61 HZ3 LYS 61 -3.651 20.980 -10.886 525 H ARG 62 H ARG 62 -0.036 21.916 -6.909 526 HA ARG 62 HA ARG 62 2.529 21.924 -6.425 527 HB2 ARG 62 HB2 ARG 62 2.503 24.475 -6.916 528 HB3 ARG 62 HB3 ARG 62 1.715 23.403 -8.070 529 HG2 ARG 62 HG2 ARG 62 -0.489 23.946 -6.980 530 HG3 ARG 62 HG3 ARG 62 0.344 25.121 -5.964 531 HD2 ARG 62 HD2 ARG 62 0.947 26.446 -7.924 532 HD3 ARG 62 HD3 ARG 62 0.299 25.207 -9.006 533 HE ARG 62 HE ARG 62 -1.741 26.085 -7.247 534 HH11 ARG 62 HH11 ARG 62 0.083 27.256 -10.026 535 HH12 ARG 62 HH12 ARG 62 -1.186 28.308 -10.558 536 HH21 ARG 62 HH21 ARG 62 -3.397 27.458 -7.979 537 HH22 ARG 62 HH22 ARG 62 -3.158 28.413 -9.408 538 H VAL 63 H VAL 63 3.771 21.841 -4.662 539 HA VAL 63 HA VAL 63 2.886 23.111 -2.166 540 HB VAL 63 HB VAL 63 4.498 21.652 -0.991 541 HG11 VAL 63 HG11 VAL 63 2.224 20.804 -1.390 542 HG12 VAL 63 HG12 VAL 63 3.389 19.481 -1.416 543 HG13 VAL 63 HG13 VAL 63 2.731 20.104 -2.931 544 HG21 VAL 63 HG21 VAL 63 5.761 19.870 -2.193 545 HG22 VAL 63 HG22 VAL 63 6.288 21.478 -2.683 546 HG23 VAL 63 HG23 VAL 63 5.231 20.543 -3.740 547 H VAL 64 H VAL 64 3.681 25.005 -1.588 548 HA VAL 64 HA VAL 64 6.042 26.156 -2.891 549 HB VAL 64 HB VAL 64 3.982 27.413 -1.019 550 HG11 VAL 64 HG11 VAL 64 6.108 28.631 -0.844 551 HG12 VAL 64 HG12 VAL 64 4.915 29.608 -1.701 552 HG13 VAL 64 HG13 VAL 64 6.192 28.787 -2.602 553 HG21 VAL 64 HG21 VAL 64 2.996 26.746 -3.176 554 HG22 VAL 64 HG22 VAL 64 4.249 27.640 -4.044 555 HG23 VAL 64 HG23 VAL 64 3.078 28.505 -3.046 556 H LEU 65 H LEU 65 7.955 26.069 -1.940 557 HA LEU 65 HA LEU 65 8.204 25.293 0.896 558 HB2 LEU 65 HB2 LEU 65 10.257 25.152 -1.357 559 HB3 LEU 65 HB3 LEU 65 10.450 24.498 0.267 560 HG LEU 65 HG LEU 65 8.443 23.506 -1.811 561 HD11 LEU 65 HD11 LEU 65 10.728 22.926 -2.440 562 HD12 LEU 65 HD12 LEU 65 9.828 21.491 -1.961 563 HD13 LEU 65 HD13 LEU 65 11.012 22.200 -0.857 564 HD21 LEU 65 HD21 LEU 65 7.568 23.213 0.456 565 HD22 LEU 65 HD22 LEU 65 9.051 22.395 0.954 566 HD23 LEU 65 HD23 LEU 65 7.993 21.656 -0.250 567 H SER 66 H SER 66 8.766 26.844 2.276 568 HA SER 66 HA SER 66 10.790 28.844 1.669 569 HB2 SER 66 HB2 SER 66 8.780 30.048 0.954 570 HB3 SER 66 HB3 SER 66 7.959 29.668 2.469 571 HG SER 66 HG SER 66 10.005 31.496 1.945 572 H GLU 67 H GLU 67 11.976 29.285 3.424 573 HA GLU 67 HA GLU 67 11.779 27.845 5.841 574 HB2 GLU 67 HB2 GLU 67 13.413 30.251 5.000 575 HB3 GLU 67 HB3 GLU 67 13.627 29.484 6.567 576 HG2 GLU 67 HG2 GLU 67 14.592 27.579 5.666 577 HG3 GLU 67 HG3 GLU 67 13.835 27.789 4.098 578 H ASN 68 H ASN 68 10.414 30.902 4.880 579 HA ASN 68 HA ASN 68 9.670 31.566 7.663 580 HB2 ASN 68 HB2 ASN 68 9.446 33.282 5.162 581 HB3 ASN 68 HB3 ASN 68 9.069 33.797 6.799 582 HD21 ASN 68 HD21 ASN 68 11.105 34.724 4.805 583 HD22 ASN 68 HD22 ASN 68 12.599 34.720 5.666 584 HA PRO 69 HA PRO 69 5.581 29.831 6.586 585 HB2 PRO 69 HB2 PRO 69 4.388 30.491 9.000 586 HB3 PRO 69 HB3 PRO 69 5.392 29.060 8.757 587 HG2 PRO 69 HG2 PRO 69 6.163 31.731 9.914 588 HG3 PRO 69 HG3 PRO 69 6.550 30.103 10.510 589 HD2 PRO 69 HD2 PRO 69 8.348 31.536 9.120 590 HD3 PRO 69 HD3 PRO 69 8.220 29.771 8.903 591 H MET 70 H MET 70 6.500 33.057 7.383 592 HA MET 70 HA MET 70 3.911 34.325 7.325 593 HB2 MET 70 HB2 MET 70 6.722 35.488 7.156 594 HB3 MET 70 HB3 MET 70 5.255 36.429 7.405 595 HG2 MET 70 HG2 MET 70 4.931 35.513 9.583 596 HG3 MET 70 HG3 MET 70 6.145 34.259 9.317 597 HE1 MET 70 HE1 MET 70 8.562 35.862 7.957 598 HE2 MET 70 HE2 MET 70 8.762 34.692 9.264 599 HE3 MET 70 HE3 MET 70 9.494 36.293 9.392 600 H GLN 71 H GLN 71 6.322 33.413 5.001 601 HA GLN 71 HA GLN 71 5.552 35.179 2.900 602 HB2 GLN 71 HB2 GLN 71 7.150 32.596 2.835 603 HB3 GLN 71 HB3 GLN 71 6.895 33.631 1.428 604 HG2 GLN 71 HG2 GLN 71 7.996 35.507 2.674 605 HG3 GLN 71 HG3 GLN 71 8.342 34.382 3.984 606 HE21 GLN 71 HE21 GLN 71 8.568 33.449 0.602 607 HE22 GLN 71 HE22 GLN 71 10.285 33.342 0.558 608 H PHE 72 H PHE 72 4.301 32.156 4.061 609 HA PHE 72 HA PHE 72 2.738 31.514 1.727 610 HB2 PHE 72 HB2 PHE 72 2.333 30.580 4.598 611 HB3 PHE 72 HB3 PHE 72 1.683 29.821 3.145 612 HD1 PHE 72 HD1 PHE 72 4.105 29.870 1.364 613 HD2 PHE 72 HD2 PHE 72 3.700 28.895 5.511 614 HE1 PHE 72 HE1 PHE 72 6.082 28.421 1.223 615 HE2 PHE 72 HE2 PHE 72 5.674 27.447 5.346 616 HZ PHE 72 HZ PHE 72 6.870 27.208 3.210 617 H PHE 73 H PHE 73 2.347 33.637 4.457 618 HA PHE 73 HA PHE 73 -0.544 33.894 4.135 619 HB2 PHE 73 HB2 PHE 73 1.375 35.269 6.063 620 HB3 PHE 73 HB3 PHE 73 -0.379 35.452 6.086 621 HD1 PHE 73 HD1 PHE 73 -1.664 33.040 6.017 622 HD2 PHE 73 HD2 PHE 73 2.230 33.737 7.637 623 HE1 PHE 73 HE1 PHE 73 -1.872 31.034 7.413 624 HE2 PHE 73 HE2 PHE 73 1.996 31.718 9.022 625 HZ PHE 73 HZ PHE 73 -0.047 30.369 8.914 626 H GLU 74 H GLU 74 2.380 35.641 3.231 627 HA GLU 74 HA GLU 74 0.917 37.988 2.310 628 HB2 GLU 74 HB2 GLU 74 3.052 38.846 1.550 629 HB3 GLU 74 HB3 GLU 74 3.261 38.160 3.157 630 HG2 GLU 74 HG2 GLU 74 4.204 36.105 2.103 631 HG3 GLU 74 HG3 GLU 74 4.090 36.892 0.525 632 H THR 75 H THR 75 2.051 34.946 0.959 633 HA THR 75 HA THR 75 1.496 35.705 -1.784 634 HB THR 75 HB THR 75 2.192 32.974 -0.615 635 HG1 THR 75 HG1 THR 75 4.184 33.669 -0.718 636 HG21 THR 75 HG21 THR 75 2.768 32.322 -2.938 637 HG22 THR 75 HG22 THR 75 2.174 33.876 -3.524 638 HG23 THR 75 HG23 THR 75 1.053 32.719 -2.801 639 H PHE 76 H PHE 76 0.052 33.467 0.635 640 HA PHE 76 HA PHE 76 -2.406 33.216 -1.014 641 HB2 PHE 76 HB2 PHE 76 -1.394 31.421 1.235 642 HB3 PHE 76 HB3 PHE 76 -2.862 31.164 0.308 643 HD1 PHE 76 HD1 PHE 76 -2.645 30.741 -2.214 644 HD2 PHE 76 HD2 PHE 76 0.672 30.523 0.478 645 HE1 PHE 76 HE1 PHE 76 -1.407 29.374 -3.842 646 HE2 PHE 76 HE2 PHE 76 1.907 29.159 -1.162 647 HZ PHE 76 HZ PHE 76 0.864 28.581 -3.320 648 H GLY 77 H GLY 77 -1.662 32.973 2.497 649 HA2 GLY 77 HA2 GLY 77 -2.585 33.896 4.373 650 HA3 GLY 77 HA3 GLY 77 -3.136 35.228 3.377 651 H ASP 78 H ASP 78 -5.136 34.991 2.254 652 HA ASP 78 HA ASP 78 -7.336 34.103 3.736 653 HB2 ASP 78 HB2 ASP 78 -7.493 35.885 2.059 654 HB3 ASP 78 HB3 ASP 78 -7.066 34.765 0.777 655 H ARG 79 H ARG 79 -5.467 32.477 1.247 656 HA ARG 79 HA ARG 79 -7.279 30.295 0.809 657 HB2 ARG 79 HB2 ARG 79 -4.320 30.565 0.158 658 HB3 ARG 79 HB3 ARG 79 -5.359 29.266 -0.420 659 HG2 ARG 79 HG2 ARG 79 -5.662 32.216 -1.079 660 HG3 ARG 79 HG3 ARG 79 -4.981 30.981 -2.144 661 HD2 ARG 79 HD2 ARG 79 -7.183 29.807 -2.124 662 HD3 ARG 79 HD3 ARG 79 -7.850 31.111 -1.133 663 HE ARG 79 HE ARG 79 -6.749 31.554 -3.850 664 HH11 ARG 79 HH11 ARG 79 -9.288 32.139 -1.496 665 HH12 ARG 79 HH12 ARG 79 -10.194 33.163 -2.559 666 HH21 ARG 79 HH21 ARG 79 -7.925 32.911 -5.212 667 HH22 ARG 79 HH22 ARG 79 -9.417 33.605 -4.667 668 H VAL 80 H VAL 80 -4.546 30.867 2.981 669 HA VAL 80 HA VAL 80 -4.100 28.137 3.731 670 HB VAL 80 HB VAL 80 -3.312 30.625 5.316 671 HG11 VAL 80 HG11 VAL 80 -1.471 29.236 6.187 672 HG12 VAL 80 HG12 VAL 80 -2.066 27.851 5.265 673 HG13 VAL 80 HG13 VAL 80 -3.042 28.529 6.572 674 HG21 VAL 80 HG21 VAL 80 -2.510 30.882 3.003 675 HG22 VAL 80 HG22 VAL 80 -1.741 29.294 3.072 676 HG23 VAL 80 HG23 VAL 80 -1.156 30.604 4.103 677 H PHE 81 H PHE 81 -4.675 27.067 5.720 678 HA PHE 81 HA PHE 81 -7.333 27.462 6.523 679 HB2 PHE 81 HB2 PHE 81 -7.078 25.595 8.028 680 HB3 PHE 81 HB3 PHE 81 -6.224 25.257 6.536 681 HD1 PHE 81 HD1 PHE 81 -3.767 25.071 6.488 682 HD2 PHE 81 HD2 PHE 81 -5.865 25.762 10.153 683 HE1 PHE 81 HE1 PHE 81 -1.787 24.361 7.767 684 HE2 PHE 81 HE2 PHE 81 -3.876 25.064 11.420 685 HZ PHE 81 HZ PHE 81 -1.836 24.361 10.228 686 H LEU 82 H LEU 82 -4.357 28.532 8.047 687 HA LEU 82 HA LEU 82 -5.983 30.057 10.009 688 HB2 LEU 82 HB2 LEU 82 -4.292 29.916 11.640 689 HB3 LEU 82 HB3 LEU 82 -4.415 28.291 11.006 690 HG LEU 82 HG LEU 82 -2.205 30.279 10.304 691 HD11 LEU 82 HD11 LEU 82 -0.725 28.895 11.683 692 HD12 LEU 82 HD12 LEU 82 -2.092 27.883 12.161 693 HD13 LEU 82 HD13 LEU 82 -2.038 29.582 12.640 694 HD21 LEU 82 HD21 LEU 82 -2.586 28.689 8.486 695 HD22 LEU 82 HD22 LEU 82 -2.428 27.337 9.608 696 HD23 LEU 82 HD23 LEU 82 -1.045 28.384 9.283 697 H THR 83 H THR 83 -4.824 32.165 10.670 698 HA THR 83 HA THR 83 -3.566 33.421 8.300 699 HB THR 83 HB THR 83 -5.646 34.555 8.975 700 HG1 THR 83 HG1 THR 83 -4.785 36.623 9.032 701 HG21 THR 83 HG21 THR 83 -5.805 35.783 11.120 702 HG22 THR 83 HG22 THR 83 -4.291 35.043 11.647 703 HG23 THR 83 HG23 THR 83 -5.716 34.038 11.368 704 H LYS 84 H LYS 84 -2.114 35.361 9.058 705 HA LYS 84 HA LYS 84 0.229 34.292 10.162 706 HB2 LYS 84 HB2 LYS 84 0.096 36.189 8.537 707 HB3 LYS 84 HB3 LYS 84 -0.545 37.214 9.815 708 HG2 LYS 84 HG2 LYS 84 1.583 36.940 11.070 709 HG3 LYS 84 HG3 LYS 84 2.227 35.971 9.740 710 HD2 LYS 84 HD2 LYS 84 1.352 38.890 9.572 711 HD3 LYS 84 HD3 LYS 84 3.022 38.325 9.643 712 HE2 LYS 84 HE2 LYS 84 2.782 37.236 7.464 713 HE3 LYS 84 HE3 LYS 84 1.068 37.652 7.408 714 HZ1 LYS 84 HZ1 LYS 84 1.669 39.991 7.361 715 HZ2 LYS 84 HZ2 LYS 84 2.395 39.162 6.076 716 HZ3 LYS 84 HZ3 LYS 84 3.313 39.594 7.426 717 H ASP 85 H ASP 85 -2.406 36.119 11.648 718 HA ASP 85 HA ASP 85 -1.200 36.712 14.160 719 HB2 ASP 85 HB2 ASP 85 -4.150 36.283 13.502 720 HB3 ASP 85 HB3 ASP 85 -3.538 37.008 14.983 721 H GLU 86 H GLU 86 -3.163 33.999 13.015 722 HA GLU 86 HA GLU 86 -3.261 32.543 15.441 723 HB2 GLU 86 HB2 GLU 86 -3.443 31.446 12.612 724 HB3 GLU 86 HB3 GLU 86 -3.974 30.625 14.081 725 HG2 GLU 86 HG2 GLU 86 -5.154 33.119 12.851 726 HG3 GLU 86 HG3 GLU 86 -5.876 31.518 12.883 727 H LEU 87 H LEU 87 -0.936 32.613 12.791 728 HA LEU 87 HA LEU 87 0.719 30.434 13.526 729 HB2 LEU 87 HB2 LEU 87 0.981 31.407 11.331 730 HB3 LEU 87 HB3 LEU 87 1.246 33.007 12.001 731 HG LEU 87 HG LEU 87 3.420 32.101 13.012 732 HD11 LEU 87 HD11 LEU 87 2.969 29.719 12.885 733 HD12 LEU 87 HD12 LEU 87 4.442 30.130 12.012 734 HD13 LEU 87 HD13 LEU 87 2.957 29.789 11.118 735 HD21 LEU 87 HD21 LEU 87 4.721 32.492 11.040 736 HD22 LEU 87 HD22 LEU 87 3.338 33.583 11.013 737 HD23 LEU 87 HD23 LEU 87 3.353 32.146 9.987 738 H LYS 88 H LYS 88 1.003 33.944 14.261 739 HA LYS 88 HA LYS 88 3.466 33.647 15.644 740 HB2 LYS 88 HB2 LYS 88 3.192 36.067 16.276 741 HB3 LYS 88 HB3 LYS 88 3.107 35.731 14.561 742 HG2 LYS 88 HG2 LYS 88 1.370 37.213 14.708 743 HG3 LYS 88 HG3 LYS 88 0.492 35.731 15.016 744 HD2 LYS 88 HD2 LYS 88 -0.284 37.306 16.622 745 HD3 LYS 88 HD3 LYS 88 0.761 36.183 17.499 746 HE2 LYS 88 HE2 LYS 88 2.608 37.802 17.376 747 HE3 LYS 88 HE3 LYS 88 1.584 38.911 16.468 748 HZ1 LYS 88 HZ1 LYS 88 1.677 39.533 18.779 749 HZ2 LYS 88 HZ2 LYS 88 1.132 38.008 19.260 750 HZ3 LYS 88 HZ3 LYS 88 0.109 39.038 18.391 751 H GLU 89 H GLU 89 0.096 33.858 16.821 752 HA GLU 89 HA GLU 89 0.741 33.827 19.602 753 HB2 GLU 89 HB2 GLU 89 -1.560 33.082 20.031 754 HB3 GLU 89 HB3 GLU 89 -1.549 34.405 18.869 755 HG2 GLU 89 HG2 GLU 89 -2.145 32.993 17.070 756 HG3 GLU 89 HG3 GLU 89 -1.677 31.535 17.936 757 H TYR 90 H TYR 90 0.236 31.285 17.194 758 HA TYR 90 HA TYR 90 0.193 29.024 18.865 759 HB2 TYR 90 HB2 TYR 90 -0.601 28.904 16.573 760 HB3 TYR 90 HB3 TYR 90 0.968 29.371 15.936 761 HD1 TYR 90 HD1 TYR 90 -0.713 26.619 17.871 762 HD2 TYR 90 HD2 TYR 90 2.464 27.697 15.220 763 HE1 TYR 90 HE1 TYR 90 -0.118 24.250 17.624 764 HE2 TYR 90 HE2 TYR 90 3.067 25.314 14.977 765 HH TYR 90 HH TYR 90 2.779 23.185 16.316 766 H MET 91 H MET 91 2.893 30.731 17.309 767 HA MET 91 HA MET 91 4.929 28.868 18.125 768 HB2 MET 91 HB2 MET 91 5.137 31.718 17.070 769 HB3 MET 91 HB3 MET 91 6.522 30.674 17.359 770 HG2 MET 91 HG2 MET 91 5.599 29.060 15.690 771 HG3 MET 91 HG3 MET 91 4.305 30.208 15.347 772 HE1 MET 91 HE1 MET 91 6.332 33.215 13.786 773 HE2 MET 91 HE2 MET 91 5.933 33.029 15.493 774 HE3 MET 91 HE3 MET 91 4.736 32.627 14.258 775 H LYS 92 H LYS 92 3.638 31.907 19.452 776 HA LYS 92 HA LYS 92 5.439 32.088 21.671 777 HB2 LYS 92 HB2 LYS 92 2.619 33.219 21.404 778 HB3 LYS 92 HB3 LYS 92 3.768 33.653 22.667 779 HG2 LYS 92 HG2 LYS 92 4.082 34.201 19.699 780 HG3 LYS 92 HG3 LYS 92 3.626 35.384 20.924 781 HD2 LYS 92 HD2 LYS 92 6.286 33.897 20.841 782 HD3 LYS 92 HD3 LYS 92 6.026 35.516 20.190 783 HE2 LYS 92 HE2 LYS 92 5.515 36.364 22.432 784 HE3 LYS 92 HE3 LYS 92 5.656 34.738 23.107 785 HZ1 LYS 92 HZ1 LYS 92 7.978 34.706 22.462 786 HZ2 LYS 92 HZ2 LYS 92 7.659 36.034 23.458 787 HZ3 LYS 92 HZ3 LYS 92 7.846 36.257 21.796 788 H SER 93 H SER 93 2.554 30.215 21.041 789 HA SER 93 HA SER 93 1.965 29.466 23.738 790 HB2 SER 93 HB2 SER 93 1.157 28.182 21.101 791 HB3 SER 93 HB3 SER 93 0.504 27.720 22.677 792 HG SER 93 HG SER 93 0.441 30.417 21.941 793 H GLN 94 H GLN 94 4.265 28.357 21.373 794 HA GLN 94 HA GLN 94 4.666 25.731 22.511 795 HB2 GLN 94 HB2 GLN 94 6.471 27.228 20.554 796 HB3 GLN 94 HB3 GLN 94 6.505 25.498 20.896 797 HG2 GLN 94 HG2 GLN 94 4.306 27.041 19.499 798 HG3 GLN 94 HG3 GLN 94 5.426 25.900 18.766 799 HE21 GLN 94 HE21 GLN 94 2.433 25.994 18.980 800 HE22 GLN 94 HE22 GLN 94 1.989 24.436 19.587 801 H GLU 95 H GLU 95 6.084 28.904 22.959 802 HA GLU 95 HA GLU 95 8.360 27.906 24.484 803 HB2 GLU 95 HB2 GLU 95 9.031 30.263 24.700 804 HB3 GLU 95 HB3 GLU 95 8.719 29.839 23.024 805 HG2 GLU 95 HG2 GLU 95 6.533 30.981 23.142 806 HG3 GLU 95 HG3 GLU 95 6.846 31.405 24.825 807 H ARG 96 H ARG 96 5.177 29.332 25.120 808 HA ARG 96 HA ARG 96 5.720 29.658 27.969 809 HB2 ARG 96 HB2 ARG 96 3.446 30.523 28.159 810 HB3 ARG 96 HB3 ARG 96 4.272 31.295 26.811 811 HG2 ARG 96 HG2 ARG 96 3.069 29.847 25.233 812 HG3 ARG 96 HG3 ARG 96 2.263 29.037 26.574 813 HD2 ARG 96 HD2 ARG 96 1.983 31.993 25.917 814 HD3 ARG 96 HD3 ARG 96 0.845 30.740 25.427 815 HE ARG 96 HE ARG 96 0.302 30.369 27.736 816 HH11 ARG 96 HH11 ARG 96 2.160 33.318 27.185 817 HH12 ARG 96 HH12 ARG 96 1.603 34.065 28.649 818 HH21 ARG 96 HH21 ARG 96 -0.402 31.368 29.631 819 HH22 ARG 96 HH22 ARG 96 0.162 32.954 30.039 820 H TRP 97 H TRP 97 4.440 27.152 25.913 821 HA TRP 97 HA TRP 97 3.730 25.545 28.317 822 HB2 TRP 97 HB2 TRP 97 2.390 25.406 25.579 823 HB3 TRP 97 HB3 TRP 97 2.034 24.348 26.941 824 HD1 TRP 97 HD1 TRP 97 0.629 27.253 25.314 825 HE1 TRP 97 HE1 TRP 97 -0.894 28.610 26.901 826 HE3 TRP 97 HE3 TRP 97 2.054 25.218 29.808 827 HZ2 TRP 97 HZ2 TRP 97 -1.421 28.792 29.669 828 HZ3 TRP 97 HZ3 TRP 97 0.986 26.037 31.871 829 HH2 TRP 97 HH2 TRP 97 -0.719 27.790 31.804 830 H GLY 98 H GLY 98 6.269 25.819 26.887 831 HA2 GLY 98 HA2 GLY 98 6.993 23.042 26.835 832 HA3 GLY 98 HA3 GLY 98 7.016 23.765 25.227 833 H ARG 99 H ARG 99 9.289 23.017 25.571 834 HA ARG 99 HA ARG 99 10.993 24.802 27.164 835 HB2 ARG 99 HB2 ARG 99 12.784 23.093 26.594 836 HB3 ARG 99 HB3 ARG 99 11.436 22.473 27.531 837 HG2 ARG 99 HG2 ARG 99 11.663 20.750 26.015 838 HG3 ARG 99 HG3 ARG 99 10.507 21.750 25.142 839 HD2 ARG 99 HD2 ARG 99 12.185 21.007 23.588 840 HD3 ARG 99 HD3 ARG 99 12.434 22.736 23.853 841 HE ARG 99 HE ARG 99 14.044 20.613 25.163 842 HH11 ARG 99 HH11 ARG 99 13.902 23.821 23.732 843 HH12 ARG 99 HH12 ARG 99 15.614 24.055 23.815 844 HH21 ARG 99 HH21 ARG 99 16.268 20.947 25.267 845 HH22 ARG 99 HH22 ARG 99 16.953 22.432 24.690 846 H ARG 100 H ARG 100 9.601 25.595 24.664 847 HA ARG 100 HA ARG 100 9.864 27.085 23.011 848 HB2 ARG 100 HB2 ARG 100 12.815 27.211 23.756 849 HB3 ARG 100 HB3 ARG 100 12.031 28.268 22.601 850 HG2 ARG 100 HG2 ARG 100 12.147 29.622 24.454 851 HG3 ARG 100 HG3 ARG 100 10.525 28.961 24.620 852 HD2 ARG 100 HD2 ARG 100 11.693 28.990 26.775 853 HD3 ARG 100 HD3 ARG 100 11.350 27.336 26.270 854 HE ARG 100 HE ARG 100 13.927 27.976 25.373 855 HH11 ARG 100 HH11 ARG 100 12.326 27.512 28.473 856 HH12 ARG 100 HH12 ARG 100 13.767 26.942 29.245 857 HH21 ARG 100 HH21 ARG 100 15.792 27.236 26.419 858 HH22 ARG 100 HH22 ARG 100 15.727 26.806 28.099 859 H ARG 101 H ARG 101 11.338 24.070 22.905 860 HA ARG 101 HA ARG 101 12.350 22.691 21.464 861 HB2 ARG 101 HB2 ARG 101 11.378 24.589 19.293 862 HB3 ARG 101 HB3 ARG 101 12.086 23.001 19.000 863 HG2 ARG 101 HG2 ARG 101 10.178 21.972 20.284 864 HG3 ARG 101 HG3 ARG 101 9.463 23.580 20.435 865 HD2 ARG 101 HD2 ARG 101 9.967 22.051 17.854 866 HD3 ARG 101 HD3 ARG 101 8.399 22.387 18.599 867 HE ARG 101 HE ARG 101 9.529 24.864 18.198 868 HH11 ARG 101 HH11 ARG 101 8.598 22.205 16.068 869 HH12 ARG 101 HH12 ARG 101 8.437 23.234 14.685 870 HH21 ARG 101 HH21 ARG 101 9.298 26.176 16.385 871 HH22 ARG 101 HH22 ARG 101 8.814 25.487 14.867 872 H GLU 102 H GLU 102 13.047 25.995 20.318 873 HA GLU 102 HA GLU 102 14.907 27.182 19.975 874 HB2 GLU 102 HB2 GLU 102 16.289 25.188 21.818 875 HB3 GLU 102 HB3 GLU 102 16.906 26.776 21.358 876 HG2 GLU 102 HG2 GLU 102 14.998 27.852 22.479 877 HG3 GLU 102 HG3 GLU 102 14.360 26.272 22.935 878 H SER 103 H SER 103 14.758 26.553 17.801 879 HA SER 103 HA SER 103 16.463 24.418 16.780 880 HB2 SER 103 HB2 SER 103 14.117 24.949 15.889 881 HB3 SER 103 HB3 SER 103 14.792 26.425 15.197 882 HG SER 103 HG SER 103 15.364 25.229 13.583 883 H LYS 104 H LYS 104 18.593 24.826 16.422 884 HA LYS 104 HA LYS 104 19.764 27.393 16.736 885 HB2 LYS 104 HB2 LYS 104 20.976 25.342 17.324 886 HB3 LYS 104 HB3 LYS 104 20.977 24.820 15.648 887 HG2 LYS 104 HG2 LYS 104 23.173 25.689 16.326 888 HG3 LYS 104 HG3 LYS 104 22.471 26.663 15.032 889 HD2 LYS 104 HD2 LYS 104 21.704 28.304 16.813 890 HD3 LYS 104 HD3 LYS 104 22.620 27.359 17.992 891 HE2 LYS 104 HE2 LYS 104 24.696 27.814 16.742 892 HE3 LYS 104 HE3 LYS 104 23.782 28.740 15.546 893 HZ1 LYS 104 HZ1 LYS 104 24.114 29.390 18.421 894 HZ2 LYS 104 HZ2 LYS 104 23.120 30.250 17.353 895 HZ3 LYS 104 HZ3 LYS 104 24.796 30.214 17.109 896 H LYS 105 H LYS 105 19.011 25.475 13.867 897 HA LYS 105 HA LYS 105 19.549 27.819 12.136 898 HB2 LYS 105 HB2 LYS 105 20.515 25.524 11.498 899 HB3 LYS 105 HB3 LYS 105 18.868 24.977 11.261 900 HG2 LYS 105 HG2 LYS 105 19.441 25.489 9.092 901 HG3 LYS 105 HG3 LYS 105 18.736 27.017 9.574 902 HD2 LYS 105 HD2 LYS 105 21.729 26.420 9.575 903 HD3 LYS 105 HD3 LYS 105 20.881 27.229 8.260 904 HE2 LYS 105 HE2 LYS 105 20.289 29.077 9.792 905 HE3 LYS 105 HE3 LYS 105 21.139 28.260 11.105 906 HZ1 LYS 105 HZ1 LYS 105 22.333 29.328 8.612 907 HZ2 LYS 105 HZ2 LYS 105 23.177 28.421 9.761 908 HZ3 LYS 105 HZ3 LYS 105 22.539 29.931 10.181 909 H LYS 106 H LYS 106 17.811 28.418 10.622 910 HA LYS 106 HA LYS 106 15.141 28.297 11.648 911 HB2 LYS 106 HB2 LYS 106 14.437 29.514 9.695 912 HB3 LYS 106 HB3 LYS 106 16.012 30.162 10.128 913 HG2 LYS 106 HG2 LYS 106 15.681 28.042 7.987 914 HG3 LYS 106 HG3 LYS 106 15.503 29.754 7.629 915 HD2 LYS 106 HD2 LYS 106 18.025 28.668 8.931 916 HD3 LYS 106 HD3 LYS 106 17.797 28.624 7.184 917 HE2 LYS 106 HE2 LYS 106 17.649 31.155 8.852 918 HE3 LYS 106 HE3 LYS 106 19.083 30.613 7.977 919 HZ1 LYS 106 HZ1 LYS 106 17.780 30.691 5.910 920 HZ2 LYS 106 HZ2 LYS 106 17.883 32.208 6.656 921 HZ3 LYS 106 HZ3 LYS 106 16.456 31.305 6.766 922 H LYS 107 H LYS 107 13.301 27.294 10.500 923 HA LYS 107 HA LYS 107 14.013 24.650 9.379 924 HB2 LYS 107 HB2 LYS 107 12.367 25.175 11.527 925 HB3 LYS 107 HB3 LYS 107 11.179 25.174 10.234 926 HG2 LYS 107 HG2 LYS 107 13.104 22.904 10.862 927 HG3 LYS 107 HG3 LYS 107 11.409 22.968 11.362 928 HD2 LYS 107 HD2 LYS 107 10.636 22.743 9.114 929 HD3 LYS 107 HD3 LYS 107 12.225 23.097 8.439 930 HE2 LYS 107 HE2 LYS 107 11.789 20.730 8.222 931 HE3 LYS 107 HE3 LYS 107 13.080 20.976 9.398 932 HZ1 LYS 107 HZ1 LYS 107 10.238 20.363 9.993 933 HZ2 LYS 107 HZ2 LYS 107 11.405 20.704 11.163 934 HZ3 LYS 107 HZ3 LYS 107 11.555 19.331 10.197 935 H LEU 108 H LEU 108 13.369 24.105 7.378 936 HA LEU 108 HA LEU 108 12.206 26.041 5.567 937 HB2 LEU 108 HB2 LEU 108 13.984 24.297 4.936 938 HB3 LEU 108 HB3 LEU 108 12.751 23.069 5.080 939 HG LEU 108 HG LEU 108 13.297 23.718 2.716 940 HD11 LEU 108 HD11 LEU 108 10.420 24.297 3.428 941 HD12 LEU 108 HD12 LEU 108 11.132 22.696 3.194 942 HD13 LEU 108 HD13 LEU 108 11.047 23.823 1.843 943 HD21 LEU 108 HD21 LEU 108 12.030 26.380 3.402 944 HD22 LEU 108 HD22 LEU 108 12.525 25.845 1.792 945 HD23 LEU 108 HD23 LEU 108 13.735 26.092 3.048 946 H TRP 109 H TRP 109 10.088 26.476 6.036 947 HA TRP 109 HA TRP 109 8.163 24.412 6.729 948 HB2 TRP 109 HB2 TRP 109 7.860 27.396 6.204 949 HB3 TRP 109 HB3 TRP 109 6.511 26.346 6.596 950 HD1 TRP 109 HD1 TRP 109 9.960 27.054 8.272 951 HE1 TRP 109 HE1 TRP 109 9.560 27.426 10.780 952 HE3 TRP 109 HE3 TRP 109 4.891 26.381 8.402 953 HZ2 TRP 109 HZ2 TRP 109 7.409 27.445 12.582 954 HZ3 TRP 109 HZ3 TRP 109 3.732 26.608 10.567 955 HH2 TRP 109 HH2 TRP 109 4.968 27.139 12.620 956 H MET 110 H MET 110 6.145 24.256 5.432 957 HA MET 110 HA MET 110 6.504 24.465 2.536 958 HB2 MET 110 HB2 MET 110 5.662 22.048 2.348 959 HB3 MET 110 HB3 MET 110 7.307 22.238 2.936 960 HG2 MET 110 HG2 MET 110 6.587 21.844 5.222 961 HG3 MET 110 HG3 MET 110 4.903 21.765 4.712 962 HE1 MET 110 HE1 MET 110 3.801 19.713 3.565 963 HE2 MET 110 HE2 MET 110 4.715 18.424 2.775 964 HE3 MET 110 HE3 MET 110 4.816 20.075 2.163 965 H ALA 111 H ALA 111 4.638 24.718 1.421 966 HA ALA 111 HA ALA 111 2.092 24.923 2.919 967 HB1 ALA 111 HB1 ALA 111 2.939 27.144 2.324 968 HB2 ALA 111 HB2 ALA 111 1.504 26.775 1.373 969 HB3 ALA 111 HB3 ALA 111 3.102 26.664 0.633 970 H ILE 112 H ILE 112 1.070 23.096 2.339 971 HA ILE 112 HA ILE 112 1.239 21.932 -0.313 972 HB ILE 112 HB ILE 112 -0.676 21.143 1.938 973 HG12 ILE 112 HG12 ILE 112 2.125 20.045 1.427 974 HG13 ILE 112 HG13 ILE 112 1.688 21.115 2.757 975 HG21 ILE 112 HG21 ILE 112 0.413 19.536 -0.406 976 HG22 ILE 112 HG22 ILE 112 -1.211 20.227 -0.299 977 HG23 ILE 112 HG23 ILE 112 -0.717 18.953 0.818 978 HD11 ILE 112 HD11 ILE 112 1.862 18.835 3.507 979 HD12 ILE 112 HD12 ILE 112 0.675 18.307 2.317 980 HD13 ILE 112 HD13 ILE 112 0.189 19.375 3.639 981 H GLU 113 H GLU 113 -0.076 22.569 -1.965 982 HA GLU 113 HA GLU 113 -2.326 24.376 -1.443 983 HB2 GLU 113 HB2 GLU 113 -0.510 24.425 -3.394 984 HB3 GLU 113 HB3 GLU 113 -1.557 23.261 -4.168 985 HG2 GLU 113 HG2 GLU 113 -2.275 26.107 -3.407 986 HG3 GLU 113 HG3 GLU 113 -1.898 25.519 -5.024 987 H LEU 114 H LEU 114 -4.518 23.755 -1.669 988 HA LEU 114 HA LEU 114 -5.070 20.872 -2.084 989 HB2 LEU 114 HB2 LEU 114 -5.846 22.626 0.241 990 HB3 LEU 114 HB3 LEU 114 -7.047 21.482 -0.310 991 HG LEU 114 HG LEU 114 -5.872 20.510 1.543 992 HD11 LEU 114 HD11 LEU 114 -5.014 18.441 0.561 993 HD12 LEU 114 HD12 LEU 114 -4.983 19.197 -1.032 994 HD13 LEU 114 HD13 LEU 114 -6.514 18.965 -0.187 995 HD21 LEU 114 HD21 LEU 114 -3.798 21.767 1.536 996 HD22 LEU 114 HD22 LEU 114 -3.278 20.968 0.049 997 HD23 LEU 114 HD23 LEU 114 -3.447 20.033 1.535 998 H GLU 115 H GLU 115 -6.652 20.414 -3.473 999 HA GLU 115 HA GLU 115 -8.756 22.402 -4.099 1000 HB2 GLU 115 HB2 GLU 115 -8.688 21.891 -6.445 1001 HB3 GLU 115 HB3 GLU 115 -7.037 22.270 -5.973 1002 HG2 GLU 115 HG2 GLU 115 -6.397 19.949 -6.046 1003 HG3 GLU 115 HG3 GLU 115 -8.074 19.433 -6.224 1004 H ASP 116 H ASP 116 -10.621 21.326 -5.251 1005 HA ASP 116 HA ASP 116 -12.369 19.881 -5.290 1006 HB2 ASP 116 HB2 ASP 116 -10.719 18.909 -6.933 1007 HB3 ASP 116 HB3 ASP 116 -10.158 17.821 -5.663 1008 H VAL 117 H VAL 117 -12.062 20.547 -2.787 1009 HA VAL 117 HA VAL 117 -11.524 18.378 -0.994 1010 HB VAL 117 HB VAL 117 -12.889 21.025 -0.327 1011 HG11 VAL 117 HG11 VAL 117 -12.102 20.572 1.977 1012 HG12 VAL 117 HG12 VAL 117 -11.427 19.029 1.448 1013 HG13 VAL 117 HG13 VAL 117 -13.171 19.291 1.401 1014 HG21 VAL 117 HG21 VAL 117 -10.645 21.851 0.329 1015 HG22 VAL 117 HG22 VAL 117 -10.695 21.453 -1.389 1016 HG23 VAL 117 HG23 VAL 117 -9.913 20.353 -0.253 1017 H LYS 118 H LYS 118 -12.828 16.698 -1.166 1018 HA LYS 118 HA LYS 118 -15.685 16.830 -1.557 1019 HB2 LYS 118 HB2 LYS 118 -13.747 14.903 -2.077 1020 HB3 LYS 118 HB3 LYS 118 -14.479 14.245 -0.629 1021 HG2 LYS 118 HG2 LYS 118 -15.587 13.255 -2.504 1022 HG3 LYS 118 HG3 LYS 118 -16.718 14.389 -1.765 1023 HD2 LYS 118 HD2 LYS 118 -16.792 14.561 -4.216 1024 HD3 LYS 118 HD3 LYS 118 -16.204 16.066 -3.506 1025 HE2 LYS 118 HE2 LYS 118 -13.873 15.396 -4.043 1026 HE3 LYS 118 HE3 LYS 118 -14.471 13.898 -4.763 1027 HZ1 LYS 118 HZ1 LYS 118 -13.966 15.696 -6.365 1028 HZ2 LYS 118 HZ2 LYS 118 -15.233 16.606 -5.707 1029 HZ3 LYS 118 HZ3 LYS 118 -15.558 15.127 -6.459 1030 H LYS 119 H LYS 119 -17.281 16.239 -0.012 1031 HA LYS 119 HA LYS 119 -16.439 16.359 2.826 1032 HB2 LYS 119 HB2 LYS 119 -18.570 17.777 1.372 1033 HB3 LYS 119 HB3 LYS 119 -19.234 16.903 2.739 1034 HG2 LYS 119 HG2 LYS 119 -17.011 18.964 2.864 1035 HG3 LYS 119 HG3 LYS 119 -18.690 19.217 3.334 1036 HD2 LYS 119 HD2 LYS 119 -16.654 17.395 4.674 1037 HD3 LYS 119 HD3 LYS 119 -17.358 18.870 5.331 1038 HE2 LYS 119 HE2 LYS 119 -19.592 17.712 5.353 1039 HE3 LYS 119 HE3 LYS 119 -18.786 16.242 4.823 1040 HZ1 LYS 119 HZ1 LYS 119 -17.476 16.248 6.809 1041 HZ2 LYS 119 HZ2 LYS 119 -19.121 16.265 7.201 1042 HZ3 LYS 119 HZ3 LYS 119 -18.204 17.683 7.337 1043 H TYR 120 H TYR 120 -16.393 14.398 3.651 1044 HA TYR 120 HA TYR 120 -18.277 12.295 2.975 1045 HB2 TYR 120 HB2 TYR 120 -15.853 12.437 4.796 1046 HB3 TYR 120 HB3 TYR 120 -16.982 11.092 4.918 1047 HD1 TYR 120 HD1 TYR 120 -15.477 12.932 1.982 1048 HD2 TYR 120 HD2 TYR 120 -16.040 9.176 3.949 1049 HE1 TYR 120 HE1 TYR 120 -14.320 11.790 0.138 1050 HE2 TYR 120 HE2 TYR 120 -14.880 8.044 2.110 1051 HH TYR 120 HH TYR 120 -13.092 9.666 -0.250 1052 H ASP 121 H ASP 121 -20.167 13.411 3.573 1053 HA ASP 121 HA ASP 121 -20.864 13.780 6.361 1054 HB2 ASP 121 HB2 ASP 121 -22.618 13.605 3.862 1055 HB3 ASP 121 HB3 ASP 121 -23.185 14.085 5.461 1056 H LYS 122 H LYS 122 -20.564 11.193 4.186 1057 HA LYS 122 HA LYS 122 -22.408 9.340 5.403 1058 HB2 LYS 122 HB2 LYS 122 -21.299 7.694 3.853 1059 HB3 LYS 122 HB3 LYS 122 -21.931 9.118 3.035 1060 HG2 LYS 122 HG2 LYS 122 -19.621 10.070 2.980 1061 HG3 LYS 122 HG3 LYS 122 -19.020 8.590 3.729 1062 HD2 LYS 122 HD2 LYS 122 -18.625 8.540 1.318 1063 HD3 LYS 122 HD3 LYS 122 -19.774 7.283 1.774 1064 HE2 LYS 122 HE2 LYS 122 -21.634 8.665 0.951 1065 HE3 LYS 122 HE3 LYS 122 -20.514 9.971 0.557 1066 HZ1 LYS 122 HZ1 LYS 122 -21.071 8.695 -1.398 1067 HZ2 LYS 122 HZ2 LYS 122 -20.542 7.265 -0.671 1068 HZ3 LYS 122 HZ3 LYS 122 -19.435 8.490 -1.033 1069 HA PRO 123 HA PRO 123 -19.584 8.180 8.689 1070 HB2 PRO 123 HB2 PRO 123 -20.948 6.121 9.781 1071 HB3 PRO 123 HB3 PRO 123 -21.599 7.766 9.806 1072 HG2 PRO 123 HG2 PRO 123 -22.266 5.492 7.935 1073 HG3 PRO 123 HG3 PRO 123 -23.367 6.611 8.770 1074 HD2 PRO 123 HD2 PRO 123 -22.564 6.938 6.141 1075 HD3 PRO 123 HD3 PRO 123 -23.062 8.280 7.191 1076 H ILE 124 H ILE 124 -17.905 7.584 7.052 1077 HA ILE 124 HA ILE 124 -17.523 4.683 6.673 1078 HB ILE 124 HB ILE 124 -16.096 7.060 5.401 1079 HG12 ILE 124 HG12 ILE 124 -18.030 4.968 4.308 1080 HG13 ILE 124 HG13 ILE 124 -18.309 6.701 4.451 1081 HG21 ILE 124 HG21 ILE 124 -14.829 5.442 4.008 1082 HG22 ILE 124 HG22 ILE 124 -15.506 4.106 4.940 1083 HG23 ILE 124 HG23 ILE 124 -14.435 5.272 5.719 1084 HD11 ILE 124 HD11 ILE 124 -16.346 5.369 2.578 1085 HD12 ILE 124 HD12 ILE 124 -16.633 7.107 2.716 1086 HD13 ILE 124 HD13 ILE 124 -17.919 6.044 2.153 1087 H LYS 125 H LYS 125 -15.955 3.562 7.603 1088 HA LYS 125 HA LYS 125 -14.588 4.506 9.923 1089 HB2 LYS 125 HB2 LYS 125 -14.921 1.906 8.484 1090 HB3 LYS 125 HB3 LYS 125 -13.419 2.050 9.374 1091 HG2 LYS 125 HG2 LYS 125 -15.213 0.936 10.660 1092 HG3 LYS 125 HG3 LYS 125 -14.572 2.375 11.454 1093 HD2 LYS 125 HD2 LYS 125 -16.544 3.668 10.712 1094 HD3 LYS 125 HD3 LYS 125 -17.181 2.235 9.891 1095 HE2 LYS 125 HE2 LYS 125 -17.404 1.071 12.021 1096 HE3 LYS 125 HE3 LYS 125 -16.636 2.415 12.876 1097 HZ1 LYS 125 HZ1 LYS 125 -19.252 2.477 11.476 1098 HZ2 LYS 125 HZ2 LYS 125 -18.504 3.818 12.180 1099 HZ3 LYS 125 HZ3 LYS 125 -18.991 2.521 13.148 1100 HA PRO 126 HA PRO 126 -10.559 5.526 8.005 1101 HB2 PRO 126 HB2 PRO 126 -8.922 5.142 10.166 1102 HB3 PRO 126 HB3 PRO 126 -9.963 6.565 10.003 1103 HG2 PRO 126 HG2 PRO 126 -10.461 4.024 11.563 1104 HG3 PRO 126 HG3 PRO 126 -10.677 5.710 12.084 1105 HD2 PRO 126 HD2 PRO 126 -12.767 4.206 11.241 1106 HD3 PRO 126 HD3 PRO 126 -12.688 5.952 10.903 1107 H LYS 127 H LYS 127 -8.818 4.348 7.135 1108 HA LYS 127 HA LYS 127 -8.895 1.497 7.089 1109 HB2 LYS 127 HB2 LYS 127 -8.030 3.002 5.224 1110 HB3 LYS 127 HB3 LYS 127 -6.589 3.299 6.186 1111 HG2 LYS 127 HG2 LYS 127 -7.386 0.470 5.467 1112 HG3 LYS 127 HG3 LYS 127 -6.575 1.479 4.272 1113 HD2 LYS 127 HD2 LYS 127 -4.607 1.682 5.689 1114 HD3 LYS 127 HD3 LYS 127 -5.429 0.885 7.032 1115 HE2 LYS 127 HE2 LYS 127 -3.853 -0.636 5.874 1116 HE3 LYS 127 HE3 LYS 127 -5.517 -1.211 5.785 1117 HZ1 LYS 127 HZ1 LYS 127 -4.088 0.233 3.619 1118 HZ2 LYS 127 HZ2 LYS 127 -5.662 -0.373 3.539 1119 HZ3 LYS 127 HZ3 LYS 127 -4.358 -1.435 3.676 1120 H ARG 128 H ARG 128 -7.058 3.898 8.865 1121 HA ARG 128 HA ARG 128 -6.349 1.990 10.939 1122 HB2 ARG 128 HB2 ARG 128 -3.943 2.538 10.920 1123 HB3 ARG 128 HB3 ARG 128 -4.427 1.796 9.398 1124 HG2 ARG 128 HG2 ARG 128 -4.427 4.001 8.293 1125 HG3 ARG 128 HG3 ARG 128 -4.020 4.779 9.828 1126 HD2 ARG 128 HD2 ARG 128 -2.265 2.769 8.353 1127 HD3 ARG 128 HD3 ARG 128 -2.044 4.522 8.350 1128 HE ARG 128 HE ARG 128 -1.672 4.375 10.782 1129 HH11 ARG 128 HH11 ARG 128 -1.196 1.430 8.924 1130 HH12 ARG 128 HH12 ARG 128 -0.086 0.744 10.062 1131 HH21 ARG 128 HH21 ARG 128 -0.221 3.481 12.262 1132 HH22 ARG 128 HH22 ARG 128 0.475 1.920 11.964 1133 H LEU 129 H LEU 129 -5.249 3.150 12.782 1134 HA LEU 129 HA LEU 129 -6.716 5.449 13.574 1135 HB2 LEU 129 HB2 LEU 129 -5.510 5.403 15.646 1136 HB3 LEU 129 HB3 LEU 129 -5.827 3.738 15.199 1137 HG LEU 129 HG LEU 129 -3.130 5.121 14.837 1138 HD11 LEU 129 HD11 LEU 129 -3.991 3.247 17.062 1139 HD12 LEU 129 HD12 LEU 129 -3.655 4.976 17.209 1140 HD13 LEU 129 HD13 LEU 129 -2.356 3.863 16.792 1141 HD21 LEU 129 HD21 LEU 129 -2.210 2.864 14.539 1142 HD22 LEU 129 HD22 LEU 129 -3.405 3.237 13.301 1143 HD23 LEU 129 HD23 LEU 129 -3.833 2.173 14.643 1144 H VAL 130 H VAL 130 -6.218 7.589 13.435 1145 HA VAL 130 HA VAL 130 -3.623 8.372 12.232 1146 HB VAL 130 HB VAL 130 -6.234 9.878 11.781 1147 HG11 VAL 130 HG11 VAL 130 -4.991 10.973 9.930 1148 HG12 VAL 130 HG12 VAL 130 -3.536 10.072 10.380 1149 HG13 VAL 130 HG13 VAL 130 -4.226 11.251 11.497 1150 HG21 VAL 130 HG21 VAL 130 -6.470 7.638 10.769 1151 HG22 VAL 130 HG22 VAL 130 -4.960 7.866 9.881 1152 HG23 VAL 130 HG23 VAL 130 -6.358 8.886 9.523 1153 HA PRO 131 HA PRO 131 -3.610 10.663 16.249 1154 HB2 PRO 131 HB2 PRO 131 -0.916 10.747 16.558 1155 HB3 PRO 131 HB3 PRO 131 -1.830 9.263 16.868 1156 HG2 PRO 131 HG2 PRO 131 -0.293 10.055 14.388 1157 HG3 PRO 131 HG3 PRO 131 -0.247 8.520 15.285 1158 HD2 PRO 131 HD2 PRO 131 -1.758 8.843 13.038 1159 HD3 PRO 131 HD3 PRO 131 -2.252 7.767 14.363 1160 H VAL 132 H VAL 132 -2.003 12.614 16.837 1161 HA VAL 132 HA VAL 132 -2.841 14.837 15.398 1162 HB VAL 132 HB VAL 132 -2.186 15.035 17.729 1163 HG11 VAL 132 HG11 VAL 132 -0.391 13.365 17.827 1164 HG12 VAL 132 HG12 VAL 132 0.154 14.893 18.520 1165 HG13 VAL 132 HG13 VAL 132 0.675 14.424 16.900 1166 HG21 VAL 132 HG21 VAL 132 -2.002 17.102 16.396 1167 HG22 VAL 132 HG22 VAL 132 -0.315 16.738 16.033 1168 HG23 VAL 132 HG23 VAL 132 -0.805 17.087 17.692 1169 H GLY 133 H GLY 133 0.242 13.078 15.141 1170 HA2 GLY 133 HA2 GLY 133 1.530 14.909 13.330 1171 HA3 GLY 133 HA3 GLY 133 2.066 13.289 13.747 1172 H GLY 134 H GLY 134 -0.827 12.471 12.884 1173 HA2 GLY 134 HA2 GLY 134 -2.035 11.971 10.989 1174 HA3 GLY 134 HA3 GLY 134 -0.937 12.956 10.038 1175 H GLN 135 H GLN 135 -1.951 10.461 9.196 1176 HA GLN 135 HA GLN 135 0.465 8.724 9.141 1177 HB2 GLN 135 HB2 GLN 135 -2.434 7.946 8.543 1178 HB3 GLN 135 HB3 GLN 135 -1.049 6.856 8.512 1179 HG2 GLN 135 HG2 GLN 135 -2.132 8.272 10.961 1180 HG3 GLN 135 HG3 GLN 135 -2.440 6.591 10.525 1181 HE21 GLN 135 HE21 GLN 135 -0.056 8.866 11.697 1182 HE22 GLN 135 HE22 GLN 135 1.062 7.698 12.284 1183 H TYR 136 H TYR 136 1.201 8.055 7.104 1184 HA TYR 136 HA TYR 136 0.215 9.482 4.767 1185 HB2 TYR 136 HB2 TYR 136 2.650 7.828 5.344 1186 HB3 TYR 136 HB3 TYR 136 2.057 7.772 3.687 1187 HD1 TYR 136 HD1 TYR 136 1.560 10.062 2.542 1188 HD2 TYR 136 HD2 TYR 136 4.079 9.667 5.978 1189 HE1 TYR 136 HE1 TYR 136 2.601 12.221 2.034 1190 HE2 TYR 136 HE2 TYR 136 5.119 11.836 5.448 1191 HH TYR 136 HH TYR 136 5.447 13.292 3.568 1192 H LEU 137 H LEU 137 -1.482 8.803 3.745 1193 HA LEU 137 HA LEU 137 -2.550 6.141 3.951 1194 HB2 LEU 137 HB2 LEU 137 -3.723 8.554 3.488 1195 HB3 LEU 137 HB3 LEU 137 -3.525 8.043 1.826 1196 HG LEU 137 HG LEU 137 -5.144 6.628 3.988 1197 HD11 LEU 137 HD11 LEU 137 -7.072 7.176 2.579 1198 HD12 LEU 137 HD12 LEU 137 -6.013 8.030 1.452 1199 HD13 LEU 137 HD13 LEU 137 -6.211 8.624 3.103 1200 HD21 LEU 137 HD21 LEU 137 -5.868 5.018 2.270 1201 HD22 LEU 137 HD22 LEU 137 -4.131 4.914 2.545 1202 HD23 LEU 137 HD23 LEU 137 -4.745 5.734 1.109 1203 H ARG 138 H ARG 138 -2.043 4.487 2.634 1204 HA ARG 138 HA ARG 138 -0.756 4.973 0.036 1205 HB2 ARG 138 HB2 ARG 138 1.004 3.368 0.446 1206 HB3 ARG 138 HB3 ARG 138 1.053 4.563 1.720 1207 HG2 ARG 138 HG2 ARG 138 -0.078 1.758 1.996 1208 HG3 ARG 138 HG3 ARG 138 1.544 2.257 2.492 1209 HD2 ARG 138 HD2 ARG 138 0.512 3.895 4.077 1210 HD3 ARG 138 HD3 ARG 138 -1.078 3.261 3.648 1211 HE ARG 138 HE ARG 138 -0.046 1.025 4.460 1212 HH11 ARG 138 HH11 ARG 138 0.711 4.164 5.874 1213 HH12 ARG 138 HH12 ARG 138 0.944 3.524 7.468 1214 HH21 ARG 138 HH21 ARG 138 0.258 0.209 6.573 1215 HH22 ARG 138 HH22 ARG 138 0.692 1.286 7.860 1216 H GLU 139 H GLU 139 -1.707 3.823 -1.545 1217 HA GLU 139 HA GLU 139 -3.317 1.444 -0.788 1218 HB2 GLU 139 HB2 GLU 139 -4.696 3.613 -0.749 1219 HB3 GLU 139 HB3 GLU 139 -4.407 3.725 -2.477 1220 HG2 GLU 139 HG2 GLU 139 -6.577 2.785 -2.137 1221 HG3 GLU 139 HG3 GLU 139 -5.510 1.547 -2.807 Start of MODEL 4 1 H MET 1 H MET 1 2.421 -0.476 -2.469 2 HA MET 1 HA MET 1 1.044 0.714 -0.902 3 HB2 MET 1 HB2 MET 1 2.718 -0.724 1.204 4 HB3 MET 1 HB3 MET 1 1.601 0.592 1.541 5 HG2 MET 1 HG2 MET 1 0.577 -1.530 2.103 6 HG3 MET 1 HG3 MET 1 -0.275 -0.795 0.743 7 HE1 MET 1 HE1 MET 1 -0.642 -4.570 -0.156 8 HE2 MET 1 HE2 MET 1 -1.471 -3.028 0.073 9 HE3 MET 1 HE3 MET 1 -0.739 -3.853 1.451 10 H SER 2 H SER 2 4.378 0.130 -1.461 11 HA SER 2 HA SER 2 5.534 2.421 -0.220 12 HB2 SER 2 HB2 SER 2 6.609 0.771 -2.545 13 HB3 SER 2 HB3 SER 2 7.547 1.838 -1.489 14 HG SER 2 HG SER 2 7.061 0.471 0.240 15 H LYS 3 H LYS 3 3.603 2.161 -3.003 16 HA LYS 3 HA LYS 3 4.625 4.381 -4.519 17 HB2 LYS 3 HB2 LYS 3 2.475 4.176 -5.800 18 HB3 LYS 3 HB3 LYS 3 3.378 2.669 -5.698 19 HG2 LYS 3 HG2 LYS 3 1.871 1.751 -4.082 20 HG3 LYS 3 HG3 LYS 3 1.077 3.306 -3.820 21 HD2 LYS 3 HD2 LYS 3 1.016 1.854 -6.498 22 HD3 LYS 3 HD3 LYS 3 -0.193 1.589 -5.240 23 HE2 LYS 3 HE2 LYS 3 -0.749 4.019 -5.297 24 HE3 LYS 3 HE3 LYS 3 0.405 4.231 -6.618 25 HZ1 LYS 3 HZ1 LYS 3 -1.972 2.457 -6.699 26 HZ2 LYS 3 HZ2 LYS 3 -0.910 2.765 -7.976 27 HZ3 LYS 3 HZ3 LYS 3 -1.894 4.004 -7.378 28 H ILE 4 H ILE 4 2.688 4.166 -1.683 29 HA ILE 4 HA ILE 4 1.423 5.574 -0.446 30 HB ILE 4 HB ILE 4 2.547 7.912 -2.078 31 HG12 ILE 4 HG12 ILE 4 4.462 6.514 -1.395 32 HG13 ILE 4 HG13 ILE 4 4.463 8.001 -0.454 33 HG21 ILE 4 HG21 ILE 4 1.585 7.801 0.815 34 HG22 ILE 4 HG22 ILE 4 0.842 8.686 -0.518 35 HG23 ILE 4 HG23 ILE 4 2.416 9.183 0.094 36 HD11 ILE 4 HD11 ILE 4 3.567 5.275 0.477 37 HD12 ILE 4 HD12 ILE 4 3.476 6.753 1.441 38 HD13 ILE 4 HD13 ILE 4 5.042 6.126 0.931 39 H VAL 5 H VAL 5 -0.408 7.502 -0.851 40 HA VAL 5 HA VAL 5 -1.111 8.001 -3.607 41 HB VAL 5 HB VAL 5 -3.673 7.853 -3.098 42 HG11 VAL 5 HG11 VAL 5 -2.188 5.254 -3.593 43 HG12 VAL 5 HG12 VAL 5 -2.577 6.473 -4.809 44 HG13 VAL 5 HG13 VAL 5 -3.877 5.599 -3.999 45 HG21 VAL 5 HG21 VAL 5 -3.528 7.343 -0.702 46 HG22 VAL 5 HG22 VAL 5 -2.715 5.819 -1.056 47 HG23 VAL 5 HG23 VAL 5 -4.388 6.063 -1.561 48 H GLY 6 H GLY 6 -1.451 8.662 -0.184 49 HA2 GLY 6 HA2 GLY 6 -1.494 11.503 -0.583 50 HA3 GLY 6 HA3 GLY 6 -3.040 10.859 -0.044 51 H VAL 7 H VAL 7 -2.530 12.362 1.750 52 HA VAL 7 HA VAL 7 -1.465 10.766 3.985 53 HB VAL 7 HB VAL 7 0.289 12.477 3.329 54 HG11 VAL 7 HG11 VAL 7 -1.716 14.554 4.266 55 HG12 VAL 7 HG12 VAL 7 -1.180 14.304 2.607 56 HG13 VAL 7 HG13 VAL 7 -0.031 14.853 3.825 57 HG21 VAL 7 HG21 VAL 7 0.251 11.589 5.619 58 HG22 VAL 7 HG22 VAL 7 -0.868 12.858 6.117 59 HG23 VAL 7 HG23 VAL 7 0.773 13.276 5.618 60 H THR 8 H THR 8 -2.605 11.057 5.911 61 HA THR 8 HA THR 8 -5.103 12.622 5.788 62 HB THR 8 HB THR 8 -5.710 10.292 5.673 63 HG1 THR 8 HG1 THR 8 -6.941 11.619 7.144 64 HG21 THR 8 HG21 THR 8 -5.064 8.607 7.360 65 HG22 THR 8 HG22 THR 8 -4.018 9.790 8.148 66 HG23 THR 8 HG23 THR 8 -3.652 9.239 6.511 67 H TYR 9 H TYR 9 -5.483 14.014 7.402 68 HA TYR 9 HA TYR 9 -3.961 13.930 9.913 69 HB2 TYR 9 HB2 TYR 9 -4.082 16.198 7.931 70 HB3 TYR 9 HB3 TYR 9 -4.195 16.638 9.624 71 HD1 TYR 9 HD1 TYR 9 -1.956 15.101 7.058 72 HD2 TYR 9 HD2 TYR 9 -2.263 16.586 11.059 73 HE1 TYR 9 HE1 TYR 9 0.497 15.079 7.264 74 HE2 TYR 9 HE2 TYR 9 0.182 16.561 11.258 75 HH TYR 9 HH TYR 9 2.095 15.232 10.144 76 HA PRO 10 HA PRO 10 -8.098 14.644 11.680 77 HB2 PRO 10 HB2 PRO 10 -6.575 15.723 14.028 78 HB3 PRO 10 HB3 PRO 10 -7.759 14.412 13.963 79 HG2 PRO 10 HG2 PRO 10 -5.139 13.910 14.282 80 HG3 PRO 10 HG3 PRO 10 -6.173 12.826 13.325 81 HD2 PRO 10 HD2 PRO 10 -4.232 14.928 12.358 82 HD3 PRO 10 HD3 PRO 10 -4.534 13.298 11.728 83 H ILE 11 H ILE 11 -5.471 17.029 11.885 84 HA ILE 11 HA ILE 11 -5.317 19.265 12.101 85 HB ILE 11 HB ILE 11 -7.802 19.364 10.330 86 HG12 ILE 11 HG12 ILE 11 -4.855 19.230 9.498 87 HG13 ILE 11 HG13 ILE 11 -6.008 17.906 9.363 88 HG21 ILE 11 HG21 ILE 11 -6.952 21.577 9.585 89 HG22 ILE 11 HG22 ILE 11 -5.597 21.440 10.707 90 HG23 ILE 11 HG23 ILE 11 -7.245 21.561 11.326 91 HD11 ILE 11 HD11 ILE 11 -5.640 18.958 7.230 92 HD12 ILE 11 HD12 ILE 11 -6.127 20.523 7.877 93 HD13 ILE 11 HD13 ILE 11 -7.304 19.212 7.752 94 HA PRO 12 HA PRO 12 -8.435 19.324 15.588 95 HB2 PRO 12 HB2 PRO 12 -6.114 20.138 17.259 96 HB3 PRO 12 HB3 PRO 12 -7.215 18.771 17.467 97 HG2 PRO 12 HG2 PRO 12 -4.662 18.399 16.697 98 HG3 PRO 12 HG3 PRO 12 -5.972 17.380 16.059 99 HD2 PRO 12 HD2 PRO 12 -4.641 19.779 14.769 100 HD3 PRO 12 HD3 PRO 12 -4.991 18.183 14.062 101 H LYS 13 H LYS 13 -6.651 21.702 13.992 102 HA LYS 13 HA LYS 13 -7.350 24.024 15.498 103 HB2 LYS 13 HB2 LYS 13 -6.219 23.520 12.772 104 HB3 LYS 13 HB3 LYS 13 -7.140 25.008 12.913 105 HG2 LYS 13 HG2 LYS 13 -4.754 24.259 14.640 106 HG3 LYS 13 HG3 LYS 13 -4.716 25.356 13.253 107 HD2 LYS 13 HD2 LYS 13 -6.280 26.884 14.425 108 HD3 LYS 13 HD3 LYS 13 -6.330 25.789 15.810 109 HE2 LYS 13 HE2 LYS 13 -3.875 26.160 16.138 110 HE3 LYS 13 HE3 LYS 13 -3.898 27.326 14.809 111 HZ1 LYS 13 HZ1 LYS 13 -5.406 28.700 16.058 112 HZ2 LYS 13 HZ2 LYS 13 -4.051 28.377 17.001 113 HZ3 LYS 13 HZ3 LYS 13 -5.497 27.563 17.302 114 H ARG 14 H ARG 14 -9.055 25.349 15.345 115 HA ARG 14 HA ARG 14 -11.623 24.583 14.590 116 HB2 ARG 14 HB2 ARG 14 -12.114 27.101 14.879 117 HB3 ARG 14 HB3 ARG 14 -11.395 26.261 16.247 118 HG2 ARG 14 HG2 ARG 14 -9.148 27.159 15.550 119 HG3 ARG 14 HG3 ARG 14 -9.955 28.108 14.303 120 HD2 ARG 14 HD2 ARG 14 -11.092 29.447 15.944 121 HD3 ARG 14 HD3 ARG 14 -10.651 28.340 17.251 122 HE ARG 14 HE ARG 14 -8.611 29.940 15.789 123 HH11 ARG 14 HH11 ARG 14 -10.040 28.919 18.852 124 HH12 ARG 14 HH12 ARG 14 -8.812 29.698 19.796 125 HH21 ARG 14 HH21 ARG 14 -7.028 30.934 17.089 126 HH22 ARG 14 HH22 ARG 14 -7.137 30.820 18.812 127 H PHE 15 H PHE 15 -9.115 25.544 12.556 128 HA PHE 15 HA PHE 15 -10.828 26.519 10.381 129 HB2 PHE 15 HB2 PHE 15 -7.803 26.480 10.746 130 HB3 PHE 15 HB3 PHE 15 -8.621 27.095 9.311 131 HD1 PHE 15 HD1 PHE 15 -10.244 29.044 9.563 132 HD2 PHE 15 HD2 PHE 15 -7.545 27.885 12.662 133 HE1 PHE 15 HE1 PHE 15 -10.534 31.234 10.630 134 HE2 PHE 15 HE2 PHE 15 -7.849 30.069 13.721 135 HZ PHE 15 HZ PHE 15 -9.340 31.747 12.720 136 H MET 16 H MET 16 -10.423 23.580 11.350 137 HA MET 16 HA MET 16 -9.542 22.091 9.095 138 HB2 MET 16 HB2 MET 16 -10.907 20.232 10.027 139 HB3 MET 16 HB3 MET 16 -9.935 21.003 11.273 140 HG2 MET 16 HG2 MET 16 -11.883 22.183 12.122 141 HG3 MET 16 HG3 MET 16 -12.877 21.552 10.806 142 HE1 MET 16 HE1 MET 16 -14.340 19.652 13.903 143 HE2 MET 16 HE2 MET 16 -14.719 20.648 12.498 144 HE3 MET 16 HE3 MET 16 -13.788 21.326 13.835 145 H ASP 17 H ASP 17 -12.466 23.842 9.818 146 HA ASP 17 HA ASP 17 -14.245 22.823 7.863 147 HB2 ASP 17 HB2 ASP 17 -14.172 25.570 9.190 148 HB3 ASP 17 HB3 ASP 17 -15.544 24.908 8.297 149 H ARG 18 H ARG 18 -11.616 25.112 7.683 150 HA ARG 18 HA ARG 18 -12.466 26.885 5.701 151 HB2 ARG 18 HB2 ARG 18 -9.708 26.044 6.604 152 HB3 ARG 18 HB3 ARG 18 -9.901 27.180 5.275 153 HG2 ARG 18 HG2 ARG 18 -10.889 27.571 8.115 154 HG3 ARG 18 HG3 ARG 18 -9.494 28.354 7.368 155 HD2 ARG 18 HD2 ARG 18 -11.114 29.344 5.666 156 HD3 ARG 18 HD3 ARG 18 -12.429 28.743 6.684 157 HE ARG 18 HE ARG 18 -10.382 30.705 7.580 158 HH11 ARG 18 HH11 ARG 18 -13.723 29.585 7.606 159 HH12 ARG 18 HH12 ARG 18 -14.277 30.900 8.586 160 HH21 ARG 18 HH21 ARG 18 -11.128 32.424 8.849 161 HH22 ARG 18 HH22 ARG 18 -12.805 32.522 9.278 162 H PHE 19 H PHE 19 -10.979 23.724 5.304 163 HA PHE 19 HA PHE 19 -10.330 23.939 2.544 164 HB2 PHE 19 HB2 PHE 19 -10.953 21.443 4.180 165 HB3 PHE 19 HB3 PHE 19 -10.106 21.469 2.638 166 HD1 PHE 19 HD1 PHE 19 -9.844 22.425 6.231 167 HD2 PHE 19 HD2 PHE 19 -7.738 21.935 2.541 168 HE1 PHE 19 HE1 PHE 19 -7.704 22.634 7.420 169 HE2 PHE 19 HE2 PHE 19 -5.601 22.139 3.743 170 HZ PHE 19 HZ PHE 19 -5.586 22.497 6.176 171 H PHE 20 H PHE 20 -13.248 23.134 4.271 172 HA PHE 20 HA PHE 20 -14.752 22.215 1.918 173 HB2 PHE 20 HB2 PHE 20 -15.734 22.552 4.789 174 HB3 PHE 20 HB3 PHE 20 -16.459 21.574 3.522 175 HD1 PHE 20 HD1 PHE 20 -14.914 19.667 2.546 176 HD2 PHE 20 HD2 PHE 20 -14.338 21.478 6.372 177 HE1 PHE 20 HE1 PHE 20 -13.642 17.706 3.283 178 HE2 PHE 20 HE2 PHE 20 -13.049 19.510 7.100 179 HZ PHE 20 HZ PHE 20 -12.705 17.621 5.559 180 H LYS 21 H LYS 21 -14.201 25.027 3.812 181 HA LYS 21 HA LYS 21 -16.699 26.393 3.482 182 HB2 LYS 21 HB2 LYS 21 -15.329 26.760 5.451 183 HB3 LYS 21 HB3 LYS 21 -13.948 27.235 4.485 184 HG2 LYS 21 HG2 LYS 21 -16.443 28.913 4.356 185 HG3 LYS 21 HG3 LYS 21 -15.434 29.012 5.796 186 HD2 LYS 21 HD2 LYS 21 -13.479 29.653 4.366 187 HD3 LYS 21 HD3 LYS 21 -14.521 29.578 2.941 188 HE2 LYS 21 HE2 LYS 21 -14.897 31.464 5.295 189 HE3 LYS 21 HE3 LYS 21 -14.228 31.902 3.720 190 HZ1 LYS 21 HZ1 LYS 21 -16.989 30.918 4.234 191 HZ2 LYS 21 HZ2 LYS 21 -16.351 31.270 2.709 192 HZ3 LYS 21 HZ3 LYS 21 -16.544 32.504 3.846 193 H LYS 22 H LYS 22 -13.424 26.906 2.156 194 HA LYS 22 HA LYS 22 -14.434 28.845 0.185 195 HB2 LYS 22 HB2 LYS 22 -12.063 29.408 -0.164 196 HB3 LYS 22 HB3 LYS 22 -12.481 29.467 1.546 197 HG2 LYS 22 HG2 LYS 22 -11.543 27.047 1.646 198 HG3 LYS 22 HG3 LYS 22 -10.825 27.405 0.080 199 HD2 LYS 22 HD2 LYS 22 -9.197 27.771 1.842 200 HD3 LYS 22 HD3 LYS 22 -9.603 29.325 1.101 201 HE2 LYS 22 HE2 LYS 22 -10.992 29.909 3.021 202 HE3 LYS 22 HE3 LYS 22 -10.820 28.283 3.685 203 HZ1 LYS 22 HZ1 LYS 22 -8.524 28.634 4.093 204 HZ2 LYS 22 HZ2 LYS 22 -9.359 29.967 4.734 205 HZ3 LYS 22 HZ3 LYS 22 -8.531 30.111 3.273 206 H GLY 23 H GLY 23 -13.629 25.531 0.368 207 HA2 GLY 23 HA2 GLY 23 -14.127 23.952 -1.283 208 HA3 GLY 23 HA3 GLY 23 -14.065 25.202 -2.514 209 H LYS 24 H LYS 24 -11.426 26.172 -1.538 210 HA LYS 24 HA LYS 24 -9.575 23.976 -1.990 211 HB2 LYS 24 HB2 LYS 24 -8.414 25.035 -3.879 212 HB3 LYS 24 HB3 LYS 24 -10.077 24.681 -4.308 213 HG2 LYS 24 HG2 LYS 24 -9.083 27.433 -3.498 214 HG3 LYS 24 HG3 LYS 24 -9.178 26.876 -5.169 215 HD2 LYS 24 HD2 LYS 24 -11.623 26.664 -4.983 216 HD3 LYS 24 HD3 LYS 24 -11.556 27.108 -3.276 217 HE2 LYS 24 HE2 LYS 24 -12.270 29.023 -4.630 218 HE3 LYS 24 HE3 LYS 24 -10.701 29.348 -3.893 219 HZ1 LYS 24 HZ1 LYS 24 -11.169 28.512 -6.700 220 HZ2 LYS 24 HZ2 LYS 24 -9.652 28.760 -6.005 221 HZ3 LYS 24 HZ3 LYS 24 -10.727 30.054 -6.179 222 H ASP 25 H ASP 25 -7.936 24.218 -0.633 223 HA ASP 25 HA ASP 25 -7.511 26.819 0.726 224 HB2 ASP 25 HB2 ASP 25 -9.009 25.194 1.966 225 HB3 ASP 25 HB3 ASP 25 -7.665 24.073 2.032 226 H VAL 26 H VAL 26 -5.413 26.491 2.246 227 HA VAL 26 HA VAL 26 -3.323 24.921 0.881 228 HB VAL 26 HB VAL 26 -3.069 27.852 1.735 229 HG11 VAL 26 HG11 VAL 26 -0.696 27.718 0.990 230 HG12 VAL 26 HG12 VAL 26 -0.875 25.975 0.767 231 HG13 VAL 26 HG13 VAL 26 -1.022 26.678 2.379 232 HG21 VAL 26 HG21 VAL 26 -4.120 27.581 -0.471 233 HG22 VAL 26 HG22 VAL 26 -2.781 26.566 -1.013 234 HG23 VAL 26 HG23 VAL 26 -2.505 28.270 -0.646 235 H PHE 27 H PHE 27 -2.747 23.457 2.379 236 HA PHE 27 HA PHE 27 -2.847 24.073 5.257 237 HB2 PHE 27 HB2 PHE 27 -3.862 21.931 4.445 238 HB3 PHE 27 HB3 PHE 27 -2.291 21.416 3.847 239 HD1 PHE 27 HD1 PHE 27 -4.038 22.456 6.995 240 HD2 PHE 27 HD2 PHE 27 -0.877 20.151 5.278 241 HE1 PHE 27 HE1 PHE 27 -3.595 21.436 9.182 242 HE2 PHE 27 HE2 PHE 27 -0.449 19.129 7.470 243 HZ PHE 27 HZ PHE 27 -1.798 19.770 9.424 244 H VAL 28 H VAL 28 -1.032 24.710 6.288 245 HA VAL 28 HA VAL 28 1.580 24.369 4.966 246 HB VAL 28 HB VAL 28 2.393 26.149 6.553 247 HG11 VAL 28 HG11 VAL 28 1.259 28.033 5.389 248 HG12 VAL 28 HG12 VAL 28 0.038 26.909 4.784 249 HG13 VAL 28 HG13 VAL 28 1.722 26.740 4.276 250 HG21 VAL 28 HG21 VAL 28 0.731 27.517 7.790 251 HG22 VAL 28 HG22 VAL 28 0.751 25.853 8.376 252 HG23 VAL 28 HG23 VAL 28 -0.556 26.396 7.315 253 H LYS 29 H LYS 29 3.207 23.296 5.833 254 HA LYS 29 HA LYS 29 3.065 22.083 8.517 255 HB2 LYS 29 HB2 LYS 29 3.878 20.818 5.864 256 HB3 LYS 29 HB3 LYS 29 4.450 20.156 7.395 257 HG2 LYS 29 HG2 LYS 29 1.492 20.493 6.857 258 HG3 LYS 29 HG3 LYS 29 2.378 19.101 6.241 259 HD2 LYS 29 HD2 LYS 29 1.387 18.380 8.282 260 HD3 LYS 29 HD3 LYS 29 3.092 18.615 8.643 261 HE2 LYS 29 HE2 LYS 29 2.512 20.825 9.677 262 HE3 LYS 29 HE3 LYS 29 0.807 20.488 9.376 263 HZ1 LYS 29 HZ1 LYS 29 2.656 18.972 11.132 264 HZ2 LYS 29 HZ2 LYS 29 1.083 18.477 10.765 265 HZ3 LYS 29 HZ3 LYS 29 1.339 19.917 11.617 266 HA PRO 30 HA PRO 30 7.363 23.783 8.685 267 HB2 PRO 30 HB2 PRO 30 7.947 23.048 11.243 268 HB3 PRO 30 HB3 PRO 30 6.900 24.431 10.888 269 HG2 PRO 30 HG2 PRO 30 6.133 21.616 11.660 270 HG3 PRO 30 HG3 PRO 30 5.484 23.156 12.267 271 HD2 PRO 30 HD2 PRO 30 4.218 21.672 10.338 272 HD3 PRO 30 HD3 PRO 30 4.092 23.443 10.423 273 H ALA 31 H ALA 31 7.181 21.717 7.090 274 HA ALA 31 HA ALA 31 7.741 19.652 6.340 275 HB1 ALA 31 HB1 ALA 31 9.876 20.851 6.213 276 HB2 ALA 31 HB2 ALA 31 10.131 19.131 6.507 277 HB3 ALA 31 HB3 ALA 31 10.303 20.286 7.828 278 H THR 32 H THR 32 6.230 19.474 8.777 279 HA THR 32 HA THR 32 7.150 17.486 10.576 280 HB THR 32 HB THR 32 4.238 17.933 9.765 281 HG1 THR 32 HG1 THR 32 5.907 19.451 11.497 282 HG21 THR 32 HG21 THR 32 5.446 17.047 12.419 283 HG22 THR 32 HG22 THR 32 4.557 16.018 11.293 284 HG23 THR 32 HG23 THR 32 3.733 17.343 12.115 285 H VAL 33 H VAL 33 5.767 17.367 7.403 286 HA VAL 33 HA VAL 33 5.454 14.466 7.311 287 HB VAL 33 HB VAL 33 4.648 14.885 4.963 288 HG11 VAL 33 HG11 VAL 33 3.219 16.530 7.094 289 HG12 VAL 33 HG12 VAL 33 3.014 14.802 6.797 290 HG13 VAL 33 HG13 VAL 33 2.506 15.968 5.577 291 HG21 VAL 33 HG21 VAL 33 4.241 17.211 4.197 292 HG22 VAL 33 HG22 VAL 33 5.959 16.914 4.462 293 HG23 VAL 33 HG23 VAL 33 5.033 17.832 5.651 294 H TRP 34 H TRP 34 6.610 13.143 5.891 295 HA TRP 34 HA TRP 34 9.349 13.870 5.291 296 HB2 TRP 34 HB2 TRP 34 8.646 11.606 6.214 297 HB3 TRP 34 HB3 TRP 34 7.851 11.275 4.680 298 HD1 TRP 34 HD1 TRP 34 9.303 9.831 3.109 299 HE1 TRP 34 HE1 TRP 34 11.811 9.414 2.758 300 HE3 TRP 34 HE3 TRP 34 11.179 13.093 6.589 301 HZ2 TRP 34 HZ2 TRP 34 14.256 10.331 3.798 302 HZ3 TRP 34 HZ3 TRP 34 13.624 13.262 6.840 303 HH2 TRP 34 HH2 TRP 34 15.134 11.906 5.472 304 H LYS 35 H LYS 35 10.094 12.924 2.963 305 HA LYS 35 HA LYS 35 9.074 14.736 1.025 306 HB2 LYS 35 HB2 LYS 35 11.044 12.455 0.590 307 HB3 LYS 35 HB3 LYS 35 10.799 13.831 -0.480 308 HG2 LYS 35 HG2 LYS 35 12.024 13.841 2.298 309 HG3 LYS 35 HG3 LYS 35 12.842 14.155 0.763 310 HD2 LYS 35 HD2 LYS 35 10.775 15.916 2.144 311 HD3 LYS 35 HD3 LYS 35 12.494 16.246 1.958 312 HE2 LYS 35 HE2 LYS 35 10.413 16.176 -0.258 313 HE3 LYS 35 HE3 LYS 35 11.225 17.599 0.392 314 HZ1 LYS 35 HZ1 LYS 35 12.183 16.901 -1.708 315 HZ2 LYS 35 HZ2 LYS 35 12.548 15.377 -1.073 316 HZ3 LYS 35 HZ3 LYS 35 13.316 16.753 -0.463 317 H GLU 36 H GLU 36 7.662 11.888 1.920 318 HA GLU 36 HA GLU 36 6.780 10.733 -0.507 319 HB2 GLU 36 HB2 GLU 36 5.085 10.954 2.011 320 HB3 GLU 36 HB3 GLU 36 5.022 9.689 0.784 321 HG2 GLU 36 HG2 GLU 36 7.260 10.172 2.786 322 HG3 GLU 36 HG3 GLU 36 6.038 8.906 2.873 323 H LEU 37 H LEU 37 5.874 13.634 1.199 324 HA LEU 37 HA LEU 37 3.496 14.310 -0.159 325 HB2 LEU 37 HB2 LEU 37 5.308 15.582 1.746 326 HB3 LEU 37 HB3 LEU 37 4.838 16.744 0.529 327 HG LEU 37 HG LEU 37 3.371 16.876 2.484 328 HD11 LEU 37 HD11 LEU 37 1.897 15.794 0.067 329 HD12 LEU 37 HD12 LEU 37 2.447 17.458 0.298 330 HD13 LEU 37 HD13 LEU 37 1.216 16.786 1.361 331 HD21 LEU 37 HD21 LEU 37 2.561 14.014 1.880 332 HD22 LEU 37 HD22 LEU 37 1.865 15.062 3.118 333 HD23 LEU 37 HD23 LEU 37 3.543 14.546 3.247 334 H LYS 38 H LYS 38 3.348 14.433 -2.309 335 HA LYS 38 HA LYS 38 5.195 16.194 -3.785 336 HB2 LYS 38 HB2 LYS 38 5.357 14.660 -5.647 337 HB3 LYS 38 HB3 LYS 38 5.803 13.788 -4.200 338 HG2 LYS 38 HG2 LYS 38 4.504 12.179 -5.219 339 HG3 LYS 38 HG3 LYS 38 3.258 12.981 -4.263 340 HD2 LYS 38 HD2 LYS 38 2.470 12.562 -6.559 341 HD3 LYS 38 HD3 LYS 38 2.562 14.288 -6.239 342 HE2 LYS 38 HE2 LYS 38 4.722 14.393 -7.451 343 HE3 LYS 38 HE3 LYS 38 4.606 12.663 -7.791 344 HZ1 LYS 38 HZ1 LYS 38 2.615 13.077 -9.070 345 HZ2 LYS 38 HZ2 LYS 38 3.878 14.038 -9.653 346 HZ3 LYS 38 HZ3 LYS 38 2.670 14.724 -8.694 347 HA PRO 39 HA PRO 39 1.347 18.011 -5.231 348 HB2 PRO 39 HB2 PRO 39 2.094 19.045 -7.668 349 HB3 PRO 39 HB3 PRO 39 2.571 19.776 -6.128 350 HG2 PRO 39 HG2 PRO 39 4.149 17.971 -7.950 351 HG3 PRO 39 HG3 PRO 39 4.686 19.415 -7.067 352 HD2 PRO 39 HD2 PRO 39 5.184 16.861 -6.197 353 HD3 PRO 39 HD3 PRO 39 4.996 18.239 -5.082 354 H GLY 40 H GLY 40 -0.058 16.343 -5.547 355 HA2 GLY 40 HA2 GLY 40 -1.429 15.586 -7.569 356 HA3 GLY 40 HA3 GLY 40 0.033 14.731 -8.038 357 H MET 41 H MET 41 -1.227 15.122 -4.753 358 HA MET 41 HA MET 41 -1.759 12.211 -4.590 359 HB2 MET 41 HB2 MET 41 -0.604 14.033 -2.441 360 HB3 MET 41 HB3 MET 41 -1.131 12.382 -2.160 361 HG2 MET 41 HG2 MET 41 0.595 11.823 -4.078 362 HG3 MET 41 HG3 MET 41 1.298 13.370 -3.595 363 HE1 MET 41 HE1 MET 41 0.256 13.055 -0.344 364 HE2 MET 41 HE2 MET 41 1.751 13.855 -0.836 365 HE3 MET 41 HE3 MET 41 1.797 12.540 0.341 366 H LYS 42 H LYS 42 -2.998 12.043 -2.185 367 HA LYS 42 HA LYS 42 -5.413 13.755 -2.332 368 HB2 LYS 42 HB2 LYS 42 -5.386 11.259 -0.629 369 HB3 LYS 42 HB3 LYS 42 -6.703 11.966 -1.560 370 HG2 LYS 42 HG2 LYS 42 -5.601 11.091 -3.639 371 HG3 LYS 42 HG3 LYS 42 -4.383 10.332 -2.617 372 HD2 LYS 42 HD2 LYS 42 -6.083 8.687 -3.298 373 HD3 LYS 42 HD3 LYS 42 -6.100 8.932 -1.551 374 HE2 LYS 42 HE2 LYS 42 -8.083 10.403 -1.771 375 HE3 LYS 42 HE3 LYS 42 -8.059 10.174 -3.520 376 HZ1 LYS 42 HZ1 LYS 42 -9.686 8.759 -2.447 377 HZ2 LYS 42 HZ2 LYS 42 -8.481 8.036 -1.500 378 HZ3 LYS 42 HZ3 LYS 42 -8.479 7.825 -3.180 379 H PHE 43 H PHE 43 -6.224 14.589 -0.288 380 HA PHE 43 HA PHE 43 -4.578 14.103 2.113 381 HB2 PHE 43 HB2 PHE 43 -4.201 16.435 1.029 382 HB3 PHE 43 HB3 PHE 43 -5.824 16.817 1.564 383 HD1 PHE 43 HD1 PHE 43 -6.192 16.167 4.226 384 HD2 PHE 43 HD2 PHE 43 -2.473 17.200 2.387 385 HE1 PHE 43 HE1 PHE 43 -5.302 16.872 6.401 386 HE2 PHE 43 HE2 PHE 43 -1.597 17.901 4.572 387 HZ PHE 43 HZ PHE 43 -3.010 17.742 6.575 388 H VAL 44 H VAL 44 -5.947 12.871 3.260 389 HA VAL 44 HA VAL 44 -8.831 13.354 3.082 390 HB VAL 44 HB VAL 44 -7.360 10.992 4.327 391 HG11 VAL 44 HG11 VAL 44 -10.294 11.339 3.596 392 HG12 VAL 44 HG12 VAL 44 -9.634 11.293 5.230 393 HG13 VAL 44 HG13 VAL 44 -9.557 9.855 4.212 394 HG21 VAL 44 HG21 VAL 44 -6.882 11.125 1.920 395 HG22 VAL 44 HG22 VAL 44 -8.601 11.293 1.555 396 HG23 VAL 44 HG23 VAL 44 -7.986 9.784 2.230 397 H PHE 45 H PHE 45 -9.844 14.401 4.592 398 HA PHE 45 HA PHE 45 -8.477 15.276 7.004 399 HB2 PHE 45 HB2 PHE 45 -11.257 16.024 5.986 400 HB3 PHE 45 HB3 PHE 45 -10.331 16.857 7.237 401 HD1 PHE 45 HD1 PHE 45 -8.032 17.841 6.538 402 HD2 PHE 45 HD2 PHE 45 -11.052 16.735 3.731 403 HE1 PHE 45 HE1 PHE 45 -6.953 19.227 4.824 404 HE2 PHE 45 HE2 PHE 45 -9.960 18.116 2.027 405 HZ PHE 45 HZ PHE 45 -7.912 19.361 2.566 406 H TYR 46 H TYR 46 -8.441 13.679 8.460 407 HA TYR 46 HA TYR 46 -10.687 12.059 9.237 408 HB2 TYR 46 HB2 TYR 46 -8.275 11.403 9.572 409 HB3 TYR 46 HB3 TYR 46 -8.091 12.718 10.729 410 HD1 TYR 46 HD1 TYR 46 -10.851 10.200 10.340 411 HD2 TYR 46 HD2 TYR 46 -7.682 11.648 12.808 412 HE1 TYR 46 HE1 TYR 46 -11.516 8.643 12.111 413 HE2 TYR 46 HE2 TYR 46 -8.352 10.081 14.582 414 HH TYR 46 HH TYR 46 -10.336 8.847 15.294 415 H GLN 47 H GLN 47 -12.223 12.573 10.871 416 HA GLN 47 HA GLN 47 -12.665 15.385 11.171 417 HB2 GLN 47 HB2 GLN 47 -14.460 13.613 10.891 418 HB3 GLN 47 HB3 GLN 47 -14.187 13.153 12.570 419 HG2 GLN 47 HG2 GLN 47 -14.856 15.393 13.312 420 HG3 GLN 47 HG3 GLN 47 -15.060 15.909 11.641 421 HE21 GLN 47 HE21 GLN 47 -16.789 15.000 10.414 422 HE22 GLN 47 HE22 GLN 47 -18.180 14.347 11.198 423 H SER 48 H SER 48 -12.095 12.812 13.581 424 HA SER 48 HA SER 48 -10.454 14.437 15.274 425 HB2 SER 48 HB2 SER 48 -11.963 14.373 17.289 426 HB3 SER 48 HB3 SER 48 -12.635 15.365 15.995 427 HG SER 48 HG SER 48 -13.444 12.785 15.760 428 H HIS 49 H HIS 49 -9.603 13.152 17.110 429 HA HIS 49 HA HIS 49 -9.489 10.287 16.405 430 HB2 HIS 49 HB2 HIS 49 -7.447 10.214 17.797 431 HB3 HIS 49 HB3 HIS 49 -7.342 11.483 16.585 432 HD1 HIS 49 HD1 HIS 49 -7.739 10.936 20.279 433 HD2 HIS 49 HD2 HIS 49 -6.997 14.057 17.632 434 HE1 HIS 49 HE1 HIS 49 -7.064 12.878 21.706 435 HE2 HIS 49 HE2 HIS 49 -6.682 14.777 20.096 436 H GLU 50 H GLU 50 -11.837 11.292 17.670 437 HA GLU 50 HA GLU 50 -11.847 10.208 20.415 438 HB2 GLU 50 HB2 GLU 50 -12.750 12.525 19.950 439 HB3 GLU 50 HB3 GLU 50 -13.972 11.818 18.909 440 HG2 GLU 50 HG2 GLU 50 -14.942 12.396 21.050 441 HG3 GLU 50 HG3 GLU 50 -14.952 10.647 20.852 442 H ASP 51 H ASP 51 -11.495 8.366 18.351 443 HA ASP 51 HA ASP 51 -12.223 6.623 17.119 444 HB2 ASP 51 HB2 ASP 51 -12.796 5.737 19.391 445 HB3 ASP 51 HB3 ASP 51 -14.407 6.415 19.239 446 H THR 52 H THR 52 -12.688 8.056 15.386 447 HA THR 52 HA THR 52 -15.549 8.578 14.836 448 HB THR 52 HB THR 52 -13.401 10.670 14.256 449 HG1 THR 52 HG1 THR 52 -14.807 10.237 16.691 450 HG21 THR 52 HG21 THR 52 -15.275 12.260 14.385 451 HG22 THR 52 HG22 THR 52 -16.390 10.948 14.773 452 HG23 THR 52 HG23 THR 52 -15.615 11.010 13.186 453 H GLY 53 H GLY 53 -15.763 9.347 12.437 454 HA2 GLY 53 HA2 GLY 53 -13.930 7.834 10.672 455 HA3 GLY 53 HA3 GLY 53 -15.539 8.416 10.253 456 H PHE 54 H PHE 54 -14.415 9.241 8.336 457 HA PHE 54 HA PHE 54 -12.686 11.561 8.616 458 HB2 PHE 54 HB2 PHE 54 -13.998 10.369 6.131 459 HB3 PHE 54 HB3 PHE 54 -12.765 11.628 6.132 460 HD1 PHE 54 HD1 PHE 54 -10.752 10.681 8.002 461 HD2 PHE 54 HD2 PHE 54 -13.053 8.450 5.166 462 HE1 PHE 54 HE1 PHE 54 -8.957 9.005 7.859 463 HE2 PHE 54 HE2 PHE 54 -11.250 6.776 5.033 464 HZ PHE 54 HZ PHE 54 -9.205 7.055 6.376 465 H VAL 55 H VAL 55 -13.259 13.688 8.234 466 HA VAL 55 HA VAL 55 -16.100 14.398 8.028 467 HB VAL 55 HB VAL 55 -14.734 15.611 9.652 468 HG11 VAL 55 HG11 VAL 55 -12.537 15.511 8.587 469 HG12 VAL 55 HG12 VAL 55 -12.936 17.176 9.013 470 HG13 VAL 55 HG13 VAL 55 -13.069 16.637 7.337 471 HG21 VAL 55 HG21 VAL 55 -15.606 17.466 7.421 472 HG22 VAL 55 HG22 VAL 55 -15.341 17.925 9.107 473 HG23 VAL 55 HG23 VAL 55 -16.638 16.806 8.691 474 H GLY 56 H GLY 56 -13.242 14.141 6.065 475 HA2 GLY 56 HA2 GLY 56 -14.626 14.172 3.633 476 HA3 GLY 56 HA3 GLY 56 -13.975 15.790 3.882 477 H GLU 57 H GLU 57 -12.885 15.165 1.845 478 HA GLU 57 HA GLU 57 -10.126 14.598 2.482 479 HB2 GLU 57 HB2 GLU 57 -9.728 12.950 0.724 480 HB3 GLU 57 HB3 GLU 57 -10.889 12.325 1.887 481 HG2 GLU 57 HG2 GLU 57 -12.720 12.692 0.338 482 HG3 GLU 57 HG3 GLU 57 -11.639 13.502 -0.801 483 H ALA 58 H ALA 58 -8.857 14.800 0.227 484 HA ALA 58 HA ALA 58 -9.905 16.712 -1.654 485 HB1 ALA 58 HB1 ALA 58 -7.823 17.660 0.348 486 HB2 ALA 58 HB2 ALA 58 -9.490 18.225 0.245 487 HB3 ALA 58 HB3 ALA 58 -8.365 18.560 -1.074 488 H ARG 59 H ARG 59 -7.673 17.734 -2.743 489 HA ARG 59 HA ARG 59 -5.851 15.472 -3.273 490 HB2 ARG 59 HB2 ARG 59 -6.952 17.473 -5.296 491 HB3 ARG 59 HB3 ARG 59 -5.718 16.259 -5.643 492 HG2 ARG 59 HG2 ARG 59 -8.557 15.658 -4.740 493 HG3 ARG 59 HG3 ARG 59 -7.999 15.611 -6.419 494 HD2 ARG 59 HD2 ARG 59 -6.506 13.755 -5.903 495 HD3 ARG 59 HD3 ARG 59 -6.890 13.867 -4.180 496 HE ARG 59 HE ARG 59 -8.603 12.806 -6.322 497 HH11 ARG 59 HH11 ARG 59 -8.250 13.512 -2.894 498 HH12 ARG 59 HH12 ARG 59 -9.612 12.541 -2.436 499 HH21 ARG 59 HH21 ARG 59 -10.376 11.525 -5.693 500 HH22 ARG 59 HH22 ARG 59 -10.801 11.411 -4.014 501 H ILE 60 H ILE 60 -3.868 15.921 -2.743 502 HA ILE 60 HA ILE 60 -2.846 18.518 -2.140 503 HB ILE 60 HB ILE 60 -1.652 15.742 -2.283 504 HG12 ILE 60 HG12 ILE 60 -1.672 17.684 0.059 505 HG13 ILE 60 HG13 ILE 60 -3.033 16.632 -0.278 506 HG21 ILE 60 HG21 ILE 60 -0.021 18.272 -1.838 507 HG22 ILE 60 HG22 ILE 60 0.163 17.107 -3.151 508 HG23 ILE 60 HG23 ILE 60 0.548 16.634 -1.498 509 HD11 ILE 60 HD11 ILE 60 -1.582 15.734 1.436 510 HD12 ILE 60 HD12 ILE 60 -0.223 15.734 0.318 511 HD13 ILE 60 HD13 ILE 60 -1.607 14.682 0.024 512 H LYS 61 H LYS 61 -1.688 19.824 -3.293 513 HA LYS 61 HA LYS 61 -0.763 19.269 -6.023 514 HB2 LYS 61 HB2 LYS 61 -2.654 21.516 -5.175 515 HB3 LYS 61 HB3 LYS 61 -1.913 21.413 -6.758 516 HG2 LYS 61 HG2 LYS 61 -3.824 19.363 -5.604 517 HG3 LYS 61 HG3 LYS 61 -4.285 20.669 -6.693 518 HD2 LYS 61 HD2 LYS 61 -2.317 18.447 -7.405 519 HD3 LYS 61 HD3 LYS 61 -4.036 18.432 -7.809 520 HE2 LYS 61 HE2 LYS 61 -3.685 20.570 -9.085 521 HE3 LYS 61 HE3 LYS 61 -1.951 20.396 -8.800 522 HZ1 LYS 61 HZ1 LYS 61 -2.080 18.238 -9.952 523 HZ2 LYS 61 HZ2 LYS 61 -2.495 19.543 -10.937 524 HZ3 LYS 61 HZ3 LYS 61 -3.703 18.548 -10.310 525 H ARG 62 H ARG 62 -0.107 22.043 -6.501 526 HA ARG 62 HA ARG 62 2.527 21.936 -6.053 527 HB2 ARG 62 HB2 ARG 62 2.662 24.295 -6.647 528 HB3 ARG 62 HB3 ARG 62 1.385 23.515 -7.571 529 HG2 ARG 62 HG2 ARG 62 -0.231 24.480 -5.797 530 HG3 ARG 62 HG3 ARG 62 1.118 25.496 -5.288 531 HD2 ARG 62 HD2 ARG 62 -0.186 26.794 -6.813 532 HD3 ARG 62 HD3 ARG 62 1.257 26.302 -7.708 533 HE ARG 62 HE ARG 62 -0.944 24.483 -8.025 534 HH11 ARG 62 HH11 ARG 62 0.437 27.457 -9.295 535 HH12 ARG 62 HH12 ARG 62 -0.437 27.351 -10.786 536 HH21 ARG 62 HH21 ARG 62 -2.063 24.364 -9.977 537 HH22 ARG 62 HH22 ARG 62 -1.857 25.606 -11.170 538 H VAL 63 H VAL 63 3.866 21.907 -4.369 539 HA VAL 63 HA VAL 63 3.081 23.137 -1.810 540 HB VAL 63 HB VAL 63 4.816 21.748 -0.741 541 HG11 VAL 63 HG11 VAL 63 2.545 20.822 -0.964 542 HG12 VAL 63 HG12 VAL 63 3.750 19.536 -1.039 543 HG13 VAL 63 HG13 VAL 63 2.969 20.103 -2.518 544 HG21 VAL 63 HG21 VAL 63 5.386 20.584 -3.505 545 HG22 VAL 63 HG22 VAL 63 6.045 19.975 -1.982 546 HG23 VAL 63 HG23 VAL 63 6.483 21.584 -2.555 547 H VAL 64 H VAL 64 3.821 25.110 -1.401 548 HA VAL 64 HA VAL 64 6.165 26.204 -2.773 549 HB VAL 64 HB VAL 64 4.015 27.489 -1.036 550 HG11 VAL 64 HG11 VAL 64 5.001 29.694 -1.608 551 HG12 VAL 64 HG12 VAL 64 6.375 28.883 -2.365 552 HG13 VAL 64 HG13 VAL 64 6.100 28.723 -0.627 553 HG21 VAL 64 HG21 VAL 64 4.624 27.751 -4.009 554 HG22 VAL 64 HG22 VAL 64 3.334 28.585 -3.139 555 HG23 VAL 64 HG23 VAL 64 3.291 26.830 -3.303 556 H LEU 65 H LEU 65 8.072 25.953 -1.870 557 HA LEU 65 HA LEU 65 8.364 25.278 0.960 558 HB2 LEU 65 HB2 LEU 65 10.471 25.357 -1.245 559 HB3 LEU 65 HB3 LEU 65 10.645 24.622 0.344 560 HG LEU 65 HG LEU 65 8.841 23.646 -1.914 561 HD11 LEU 65 HD11 LEU 65 11.331 22.383 -0.726 562 HD12 LEU 65 HD12 LEU 65 11.200 23.158 -2.307 563 HD13 LEU 65 HD13 LEU 65 10.301 21.679 -1.979 564 HD21 LEU 65 HD21 LEU 65 8.301 21.718 -0.475 565 HD22 LEU 65 HD22 LEU 65 7.729 23.229 0.219 566 HD23 LEU 65 HD23 LEU 65 9.181 22.460 0.865 567 H SER 66 H SER 66 8.955 26.766 2.421 568 HA SER 66 HA SER 66 10.782 28.945 1.824 569 HB2 SER 66 HB2 SER 66 8.652 30.029 1.293 570 HB3 SER 66 HB3 SER 66 7.941 29.467 2.806 571 HG SER 66 HG SER 66 9.991 31.375 2.438 572 H GLU 67 H GLU 67 12.022 29.443 3.570 573 HA GLU 67 HA GLU 67 11.836 27.938 6.012 574 HB2 GLU 67 HB2 GLU 67 13.688 30.081 4.969 575 HB3 GLU 67 HB3 GLU 67 13.820 29.536 6.637 576 HG2 GLU 67 HG2 GLU 67 14.527 27.383 6.014 577 HG3 GLU 67 HG3 GLU 67 13.918 27.544 4.376 578 H ASN 68 H ASN 68 10.400 30.848 4.956 579 HA ASN 68 HA ASN 68 9.784 31.697 7.734 580 HB2 ASN 68 HB2 ASN 68 9.533 33.327 5.175 581 HB3 ASN 68 HB3 ASN 68 9.186 33.904 6.797 582 HD21 ASN 68 HD21 ASN 68 11.142 34.798 4.722 583 HD22 ASN 68 HD22 ASN 68 12.670 34.826 5.526 584 HA PRO 69 HA PRO 69 5.681 29.945 6.691 585 HB2 PRO 69 HB2 PRO 69 4.475 30.525 9.097 586 HB3 PRO 69 HB3 PRO 69 5.571 29.161 8.866 587 HG2 PRO 69 HG2 PRO 69 6.171 31.894 9.995 588 HG3 PRO 69 HG3 PRO 69 6.637 30.299 10.628 589 HD2 PRO 69 HD2 PRO 69 8.373 31.802 9.216 590 HD3 PRO 69 HD3 PRO 69 8.347 30.028 9.053 591 H MET 70 H MET 70 6.539 33.198 7.263 592 HA MET 70 HA MET 70 3.863 34.352 7.289 593 HB2 MET 70 HB2 MET 70 6.626 35.628 7.219 594 HB3 MET 70 HB3 MET 70 5.117 36.516 7.406 595 HG2 MET 70 HG2 MET 70 4.714 35.550 9.557 596 HG3 MET 70 HG3 MET 70 6.008 34.370 9.346 597 HE1 MET 70 HE1 MET 70 8.394 36.135 8.123 598 HE2 MET 70 HE2 MET 70 8.613 34.969 9.430 599 HE3 MET 70 HE3 MET 70 9.227 36.614 9.602 600 H GLN 71 H GLN 71 6.307 33.561 4.954 601 HA GLN 71 HA GLN 71 5.514 35.372 2.889 602 HB2 GLN 71 HB2 GLN 71 7.057 32.758 2.587 603 HB3 GLN 71 HB3 GLN 71 6.947 34.056 1.397 604 HG2 GLN 71 HG2 GLN 71 8.036 35.569 3.136 605 HG3 GLN 71 HG3 GLN 71 8.349 34.115 4.079 606 HE21 GLN 71 HE21 GLN 71 10.289 35.950 3.030 607 HE22 GLN 71 HE22 GLN 71 11.308 35.074 1.947 608 H PHE 72 H PHE 72 4.263 32.363 4.035 609 HA PHE 72 HA PHE 72 2.714 31.669 1.720 610 HB2 PHE 72 HB2 PHE 72 2.249 30.878 4.624 611 HB3 PHE 72 HB3 PHE 72 1.580 30.074 3.205 612 HD1 PHE 72 HD1 PHE 72 4.111 30.057 1.484 613 HD2 PHE 72 HD2 PHE 72 3.446 29.084 5.595 614 HE1 PHE 72 HE1 PHE 72 6.027 28.522 1.440 615 HE2 PHE 72 HE2 PHE 72 5.358 27.553 5.531 616 HZ PHE 72 HZ PHE 72 6.653 27.268 3.459 617 H PHE 73 H PHE 73 2.306 33.897 4.377 618 HA PHE 73 HA PHE 73 -0.569 34.165 4.035 619 HB2 PHE 73 HB2 PHE 73 1.375 35.630 5.855 620 HB3 PHE 73 HB3 PHE 73 -0.368 35.887 5.856 621 HD1 PHE 73 HD1 PHE 73 -1.625 33.351 5.792 622 HD2 PHE 73 HD2 PHE 73 2.039 34.387 7.737 623 HE1 PHE 73 HE1 PHE 73 -1.924 31.491 7.365 624 HE2 PHE 73 HE2 PHE 73 1.713 32.515 9.294 625 HZ PHE 73 HZ PHE 73 -0.255 31.068 9.116 626 H GLU 74 H GLU 74 2.356 35.905 3.040 627 HA GLU 74 HA GLU 74 0.859 38.113 1.896 628 HB2 GLU 74 HB2 GLU 74 2.955 38.860 0.914 629 HB3 GLU 74 HB3 GLU 74 3.223 38.385 2.587 630 HG2 GLU 74 HG2 GLU 74 4.108 36.189 1.755 631 HG3 GLU 74 HG3 GLU 74 3.969 36.806 0.107 632 H THR 75 H THR 75 2.012 34.980 0.759 633 HA THR 75 HA THR 75 1.453 35.482 -2.032 634 HB THR 75 HB THR 75 2.127 32.889 -0.584 635 HG1 THR 75 HG1 THR 75 3.737 34.624 -0.633 636 HG21 THR 75 HG21 THR 75 2.124 33.463 -3.570 637 HG22 THR 75 HG22 THR 75 1.015 32.379 -2.727 638 HG23 THR 75 HG23 THR 75 2.734 31.990 -2.811 639 H PHE 76 H PHE 76 0.008 33.283 0.426 640 HA PHE 76 HA PHE 76 -2.446 33.028 -1.208 641 HB2 PHE 76 HB2 PHE 76 -1.670 31.340 1.197 642 HB3 PHE 76 HB3 PHE 76 -2.918 30.998 0.012 643 HD1 PHE 76 HD1 PHE 76 -2.173 30.534 -2.410 644 HD2 PHE 76 HD2 PHE 76 0.519 30.468 0.912 645 HE1 PHE 76 HE1 PHE 76 -0.597 29.166 -3.708 646 HE2 PHE 76 HE2 PHE 76 2.091 29.098 -0.400 647 HZ PHE 76 HZ PHE 76 1.523 28.446 -2.707 648 H GLY 77 H GLY 77 -1.695 32.978 2.304 649 HA2 GLY 77 HA2 GLY 77 -2.549 34.071 4.121 650 HA3 GLY 77 HA3 GLY 77 -3.130 35.317 3.028 651 H ASP 78 H ASP 78 -5.140 35.022 2.001 652 HA ASP 78 HA ASP 78 -7.308 34.197 3.559 653 HB2 ASP 78 HB2 ASP 78 -7.599 35.844 1.795 654 HB3 ASP 78 HB3 ASP 78 -7.045 34.714 0.572 655 H ARG 79 H ARG 79 -5.475 32.471 1.094 656 HA ARG 79 HA ARG 79 -7.291 30.235 0.912 657 HB2 ARG 79 HB2 ARG 79 -4.476 30.588 -0.195 658 HB3 ARG 79 HB3 ARG 79 -5.533 29.223 -0.555 659 HG2 ARG 79 HG2 ARG 79 -5.998 32.132 -1.281 660 HG3 ARG 79 HG3 ARG 79 -5.589 30.814 -2.389 661 HD2 ARG 79 HD2 ARG 79 -7.769 29.696 -1.702 662 HD3 ARG 79 HD3 ARG 79 -8.176 31.182 -0.831 663 HE ARG 79 HE ARG 79 -7.547 31.349 -3.705 664 HH11 ARG 79 HH11 ARG 79 -9.972 31.680 -1.165 665 HH12 ARG 79 HH12 ARG 79 -11.197 32.247 -2.253 666 HH21 ARG 79 HH21 ARG 79 -9.174 32.082 -5.103 667 HH22 ARG 79 HH22 ARG 79 -10.742 32.484 -4.477 668 H VAL 80 H VAL 80 -4.373 30.972 2.781 669 HA VAL 80 HA VAL 80 -3.773 28.308 3.611 670 HB VAL 80 HB VAL 80 -3.201 30.869 5.182 671 HG11 VAL 80 HG11 VAL 80 -1.830 28.154 5.315 672 HG12 VAL 80 HG12 VAL 80 -2.913 28.831 6.534 673 HG13 VAL 80 HG13 VAL 80 -1.357 29.598 6.216 674 HG21 VAL 80 HG21 VAL 80 -0.965 30.873 4.104 675 HG22 VAL 80 HG22 VAL 80 -2.265 31.089 2.930 676 HG23 VAL 80 HG23 VAL 80 -1.463 29.524 3.077 677 H PHE 81 H PHE 81 -4.501 27.128 5.448 678 HA PHE 81 HA PHE 81 -7.188 27.448 6.092 679 HB2 PHE 81 HB2 PHE 81 -7.005 25.538 7.520 680 HB3 PHE 81 HB3 PHE 81 -5.912 25.286 6.173 681 HD1 PHE 81 HD1 PHE 81 -3.425 25.484 6.523 682 HD2 PHE 81 HD2 PHE 81 -6.194 25.488 9.786 683 HE1 PHE 81 HE1 PHE 81 -1.610 24.893 8.077 684 HE2 PHE 81 HE2 PHE 81 -4.369 24.896 11.327 685 HZ PHE 81 HZ PHE 81 -2.078 24.601 10.476 686 H LEU 82 H LEU 82 -4.343 28.310 8.031 687 HA LEU 82 HA LEU 82 -6.100 29.728 9.946 688 HB2 LEU 82 HB2 LEU 82 -4.544 29.392 11.638 689 HB3 LEU 82 HB3 LEU 82 -4.427 27.897 10.745 690 HG LEU 82 HG LEU 82 -2.423 30.192 10.633 691 HD11 LEU 82 HD11 LEU 82 -2.386 29.011 12.779 692 HD12 LEU 82 HD12 LEU 82 -0.913 28.719 11.858 693 HD13 LEU 82 HD13 LEU 82 -2.162 27.470 11.942 694 HD21 LEU 82 HD21 LEU 82 -0.972 28.683 9.363 695 HD22 LEU 82 HD22 LEU 82 -2.469 29.012 8.496 696 HD23 LEU 82 HD23 LEU 82 -2.251 27.467 9.319 697 H THR 83 H THR 83 -5.230 31.851 10.759 698 HA THR 83 HA THR 83 -3.990 33.399 8.569 699 HB THR 83 HB THR 83 -6.205 34.183 9.464 700 HG1 THR 83 HG1 THR 83 -5.177 36.432 9.998 701 HG21 THR 83 HG21 THR 83 -4.642 34.850 11.992 702 HG22 THR 83 HG22 THR 83 -5.925 33.646 11.855 703 HG23 THR 83 HG23 THR 83 -6.296 35.357 11.640 704 H LYS 84 H LYS 84 -2.721 35.457 9.716 705 HA LYS 84 HA LYS 84 -0.285 34.256 10.592 706 HB2 LYS 84 HB2 LYS 84 -0.428 36.304 9.155 707 HB3 LYS 84 HB3 LYS 84 -1.019 37.208 10.544 708 HG2 LYS 84 HG2 LYS 84 1.116 36.797 11.728 709 HG3 LYS 84 HG3 LYS 84 1.716 35.888 10.337 710 HD2 LYS 84 HD2 LYS 84 0.940 38.838 10.336 711 HD3 LYS 84 HD3 LYS 84 2.594 38.217 10.395 712 HE2 LYS 84 HE2 LYS 84 2.304 37.201 8.171 713 HE3 LYS 84 HE3 LYS 84 0.631 37.764 8.116 714 HZ1 LYS 84 HZ1 LYS 84 1.428 40.032 8.181 715 HZ2 LYS 84 HZ2 LYS 84 2.107 39.202 6.878 716 HZ3 LYS 84 HZ3 LYS 84 3.031 39.500 8.258 717 H ASP 85 H ASP 85 -2.925 35.879 12.282 718 HA ASP 85 HA ASP 85 -1.656 36.085 14.835 719 HB2 ASP 85 HB2 ASP 85 -4.501 36.318 13.891 720 HB3 ASP 85 HB3 ASP 85 -4.230 36.067 15.607 721 H GLU 86 H GLU 86 -3.368 33.529 13.221 722 HA GLU 86 HA GLU 86 -3.474 31.748 15.468 723 HB2 GLU 86 HB2 GLU 86 -3.716 31.220 12.489 724 HB3 GLU 86 HB3 GLU 86 -4.061 30.038 13.755 725 HG2 GLU 86 HG2 GLU 86 -5.510 32.672 13.368 726 HG3 GLU 86 HG3 GLU 86 -6.097 31.098 12.836 727 H LEU 87 H LEU 87 -1.132 32.484 12.948 728 HA LEU 87 HA LEU 87 0.636 30.290 13.397 729 HB2 LEU 87 HB2 LEU 87 0.799 31.610 11.331 730 HB3 LEU 87 HB3 LEU 87 1.177 33.059 12.252 731 HG LEU 87 HG LEU 87 3.290 31.894 13.057 732 HD11 LEU 87 HD11 LEU 87 4.155 29.983 11.812 733 HD12 LEU 87 HD12 LEU 87 2.639 29.855 10.918 734 HD13 LEU 87 HD13 LEU 87 2.666 29.580 12.663 735 HD21 LEU 87 HD21 LEU 87 4.599 32.441 11.143 736 HD22 LEU 87 HD22 LEU 87 3.270 33.594 11.221 737 HD23 LEU 87 HD23 LEU 87 3.223 32.267 10.057 738 H LYS 88 H LYS 88 0.518 33.641 14.710 739 HA LYS 88 HA LYS 88 2.969 33.434 16.134 740 HB2 LYS 88 HB2 LYS 88 2.238 35.534 17.366 741 HB3 LYS 88 HB3 LYS 88 2.279 35.652 15.614 742 HG2 LYS 88 HG2 LYS 88 0.319 36.764 16.067 743 HG3 LYS 88 HG3 LYS 88 -0.276 35.148 15.781 744 HD2 LYS 88 HD2 LYS 88 -1.468 35.656 17.691 745 HD3 LYS 88 HD3 LYS 88 -0.051 34.904 18.423 746 HE2 LYS 88 HE2 LYS 88 -0.424 36.886 19.654 747 HE3 LYS 88 HE3 LYS 88 0.923 37.250 18.586 748 HZ1 LYS 88 HZ1 LYS 88 -0.533 38.413 17.110 749 HZ2 LYS 88 HZ2 LYS 88 -0.756 39.028 18.669 750 HZ3 LYS 88 HZ3 LYS 88 -1.896 37.972 18.009 751 H GLU 89 H GLU 89 -0.427 32.868 17.145 752 HA GLU 89 HA GLU 89 0.225 32.306 19.872 753 HB2 GLU 89 HB2 GLU 89 -2.021 31.371 20.110 754 HB3 GLU 89 HB3 GLU 89 -2.086 32.892 19.232 755 HG2 GLU 89 HG2 GLU 89 -2.375 31.693 17.119 756 HG3 GLU 89 HG3 GLU 89 -2.212 30.147 17.952 757 H TYR 90 H TYR 90 0.057 30.320 16.949 758 HA TYR 90 HA TYR 90 0.346 27.751 18.078 759 HB2 TYR 90 HB2 TYR 90 -0.320 28.032 15.754 760 HB3 TYR 90 HB3 TYR 90 1.177 28.867 15.369 761 HD1 TYR 90 HD1 TYR 90 -0.009 25.520 16.643 762 HD2 TYR 90 HD2 TYR 90 2.880 27.643 14.311 763 HE1 TYR 90 HE1 TYR 90 0.992 23.385 15.939 764 HE2 TYR 90 HE2 TYR 90 3.885 25.506 13.607 765 HH TYR 90 HH TYR 90 4.023 23.152 14.476 766 H MET 91 H MET 91 2.794 30.131 17.054 767 HA MET 91 HA MET 91 5.045 28.399 17.585 768 HB2 MET 91 HB2 MET 91 4.910 31.361 16.899 769 HB3 MET 91 HB3 MET 91 6.413 30.462 17.074 770 HG2 MET 91 HG2 MET 91 5.680 28.961 15.216 771 HG3 MET 91 HG3 MET 91 4.262 29.986 14.992 772 HE1 MET 91 HE1 MET 91 4.445 32.588 14.304 773 HE2 MET 91 HE2 MET 91 5.959 33.380 13.873 774 HE3 MET 91 HE3 MET 91 5.646 32.935 15.549 775 H LYS 92 H LYS 92 3.435 31.078 19.295 776 HA LYS 92 HA LYS 92 5.267 31.168 21.499 777 HB2 LYS 92 HB2 LYS 92 2.368 32.102 21.371 778 HB3 LYS 92 HB3 LYS 92 3.449 32.397 22.728 779 HG2 LYS 92 HG2 LYS 92 3.742 33.496 19.913 780 HG3 LYS 92 HG3 LYS 92 3.217 34.385 21.333 781 HD2 LYS 92 HD2 LYS 92 5.408 35.086 21.330 782 HD3 LYS 92 HD3 LYS 92 5.654 33.594 22.231 783 HE2 LYS 92 HE2 LYS 92 6.332 32.455 20.127 784 HE3 LYS 92 HE3 LYS 92 6.082 33.957 19.237 785 HZ1 LYS 92 HZ1 LYS 92 7.808 34.985 20.594 786 HZ2 LYS 92 HZ2 LYS 92 8.400 33.636 19.769 787 HZ3 LYS 92 HZ3 LYS 92 8.053 33.524 21.417 788 H SER 93 H SER 93 2.585 29.122 20.649 789 HA SER 93 HA SER 93 2.181 27.890 23.183 790 HB2 SER 93 HB2 SER 93 0.497 27.701 21.418 791 HB3 SER 93 HB3 SER 93 1.629 26.847 20.375 792 HG SER 93 HG SER 93 -0.033 25.814 22.132 793 H GLN 94 H GLN 94 4.556 27.454 20.629 794 HA GLN 94 HA GLN 94 5.329 24.795 21.435 795 HB2 GLN 94 HB2 GLN 94 6.795 26.699 19.554 796 HB3 GLN 94 HB3 GLN 94 7.090 24.971 19.718 797 HG2 GLN 94 HG2 GLN 94 4.666 26.334 18.518 798 HG3 GLN 94 HG3 GLN 94 5.868 25.343 17.695 799 HE21 GLN 94 HE21 GLN 94 3.016 25.333 19.685 800 HE22 GLN 94 HE22 GLN 94 2.696 23.638 19.584 801 H GLU 95 H GLU 95 6.143 27.918 22.587 802 HA GLU 95 HA GLU 95 8.716 27.014 23.727 803 HB2 GLU 95 HB2 GLU 95 9.090 29.423 24.280 804 HB3 GLU 95 HB3 GLU 95 8.874 29.132 22.560 805 HG2 GLU 95 HG2 GLU 95 6.588 29.968 22.655 806 HG3 GLU 95 HG3 GLU 95 6.699 30.157 24.402 807 H ARG 96 H ARG 96 5.428 27.898 24.691 808 HA ARG 96 HA ARG 96 6.225 27.893 27.551 809 HB2 ARG 96 HB2 ARG 96 4.302 29.236 28.040 810 HB3 ARG 96 HB3 ARG 96 5.079 29.934 26.625 811 HG2 ARG 96 HG2 ARG 96 3.354 28.749 25.205 812 HG3 ARG 96 HG3 ARG 96 2.529 28.302 26.700 813 HD2 ARG 96 HD2 ARG 96 3.015 31.103 25.635 814 HD3 ARG 96 HD3 ARG 96 1.465 30.270 25.775 815 HE ARG 96 HE ARG 96 2.635 30.445 28.332 816 HH11 ARG 96 HH11 ARG 96 1.089 32.535 25.968 817 HH12 ARG 96 HH12 ARG 96 0.669 33.743 27.136 818 HH21 ARG 96 HH21 ARG 96 2.091 32.046 29.839 819 HH22 ARG 96 HH22 ARG 96 1.225 33.458 29.328 820 H TRP 97 H TRP 97 4.384 26.077 25.221 821 HA TRP 97 HA TRP 97 3.497 24.222 27.371 822 HB2 TRP 97 HB2 TRP 97 2.259 24.340 24.586 823 HB3 TRP 97 HB3 TRP 97 1.648 23.492 26.001 824 HD1 TRP 97 HD1 TRP 97 1.133 26.543 24.084 825 HE1 TRP 97 HE1 TRP 97 -0.300 28.253 25.381 826 HE3 TRP 97 HE3 TRP 97 1.351 24.428 28.743 827 HZ2 TRP 97 HZ2 TRP 97 -1.204 28.652 28.015 828 HZ3 TRP 97 HZ3 TRP 97 0.168 25.536 30.599 829 HH2 TRP 97 HH2 TRP 97 -1.085 27.607 30.242 830 H GLY 98 H GLY 98 5.148 24.603 24.296 831 HA2 GLY 98 HA2 GLY 98 5.754 21.742 24.017 832 HA3 GLY 98 HA3 GLY 98 6.135 23.022 22.873 833 H ARG 99 H ARG 99 6.833 23.412 26.248 834 HA ARG 99 HA ARG 99 8.617 23.394 27.583 835 HB2 ARG 99 HB2 ARG 99 10.016 21.756 25.434 836 HB3 ARG 99 HB3 ARG 99 10.637 22.035 27.061 837 HG2 ARG 99 HG2 ARG 99 8.687 20.846 28.008 838 HG3 ARG 99 HG3 ARG 99 8.065 20.560 26.381 839 HD2 ARG 99 HD2 ARG 99 9.210 18.566 27.262 840 HD3 ARG 99 HD3 ARG 99 10.043 19.211 25.846 841 HE ARG 99 HE ARG 99 11.827 19.877 27.181 842 HH11 ARG 99 HH11 ARG 99 9.321 18.473 29.207 843 HH12 ARG 99 HH12 ARG 99 10.371 18.311 30.576 844 HH21 ARG 99 HH21 ARG 99 13.176 19.652 28.994 845 HH22 ARG 99 HH22 ARG 99 12.547 18.950 30.452 846 H ARG 100 H ARG 100 10.537 24.505 28.014 847 HA ARG 100 HA ARG 100 10.832 26.930 26.484 848 HB2 ARG 100 HB2 ARG 100 12.323 27.632 28.349 849 HB3 ARG 100 HB3 ARG 100 10.776 27.020 28.927 850 HG2 ARG 100 HG2 ARG 100 11.851 24.863 29.497 851 HG3 ARG 100 HG3 ARG 100 13.400 25.491 28.930 852 HD2 ARG 100 HD2 ARG 100 13.428 27.160 30.685 853 HD3 ARG 100 HD3 ARG 100 11.786 26.737 31.181 854 HE ARG 100 HE ARG 100 13.296 24.420 31.419 855 HH11 ARG 100 HH11 ARG 100 13.442 27.632 32.861 856 HH12 ARG 100 HH12 ARG 100 13.974 27.038 34.399 857 HH21 ARG 100 HH21 ARG 100 13.988 23.665 33.460 858 HH22 ARG 100 HH22 ARG 100 14.296 24.801 34.732 859 H ARG 101 H ARG 101 13.312 27.760 26.598 860 HA ARG 101 HA ARG 101 15.365 27.829 25.715 861 HB2 ARG 101 HB2 ARG 101 15.510 25.464 26.987 862 HB3 ARG 101 HB3 ARG 101 15.607 24.837 25.351 863 HG2 ARG 101 HG2 ARG 101 17.520 26.852 26.593 864 HG3 ARG 101 HG3 ARG 101 17.825 25.124 26.421 865 HD2 ARG 101 HD2 ARG 101 17.781 25.357 23.969 866 HD3 ARG 101 HD3 ARG 101 17.435 27.085 24.127 867 HE ARG 101 HE ARG 101 19.838 26.293 25.506 868 HH11 ARG 101 HH11 ARG 101 18.591 27.267 22.371 869 HH12 ARG 101 HH12 ARG 101 20.144 27.740 21.771 870 HH21 ARG 101 HH21 ARG 101 21.869 26.969 24.715 871 HH22 ARG 101 HH22 ARG 101 21.994 27.591 23.102 872 H GLU 102 H GLU 102 14.747 28.863 23.884 873 HA GLU 102 HA GLU 102 13.799 27.461 21.511 874 HB2 GLU 102 HB2 GLU 102 13.460 30.083 22.544 875 HB3 GLU 102 HB3 GLU 102 14.503 30.328 21.157 876 HG2 GLU 102 HG2 GLU 102 11.869 28.824 20.988 877 HG3 GLU 102 HG3 GLU 102 11.982 30.574 20.797 878 H SER 103 H SER 103 15.067 28.677 19.399 879 HA SER 103 HA SER 103 17.940 28.156 19.638 880 HB2 SER 103 HB2 SER 103 17.823 26.552 17.695 881 HB3 SER 103 HB3 SER 103 17.002 25.949 19.132 882 HG SER 103 HG SER 103 15.102 27.139 17.947 883 H LYS 104 H LYS 104 19.182 29.088 18.001 884 HA LYS 104 HA LYS 104 18.176 31.320 16.524 885 HB2 LYS 104 HB2 LYS 104 20.828 29.835 16.295 886 HB3 LYS 104 HB3 LYS 104 20.482 31.390 15.540 887 HG2 LYS 104 HG2 LYS 104 20.578 30.833 18.526 888 HG3 LYS 104 HG3 LYS 104 21.835 31.635 17.576 889 HD2 LYS 104 HD2 LYS 104 20.205 33.460 17.040 890 HD3 LYS 104 HD3 LYS 104 19.010 32.667 18.073 891 HE2 LYS 104 HE2 LYS 104 20.528 32.968 20.020 892 HE3 LYS 104 HE3 LYS 104 21.690 33.787 18.971 893 HZ1 LYS 104 HZ1 LYS 104 20.004 35.478 18.521 894 HZ2 LYS 104 HZ2 LYS 104 20.364 35.375 20.169 895 HZ3 LYS 104 HZ3 LYS 104 18.934 34.702 19.576 896 H LYS 105 H LYS 105 18.441 27.950 15.872 897 HA LYS 105 HA LYS 105 18.645 27.967 13.035 898 HB2 LYS 105 HB2 LYS 105 19.095 26.003 14.681 899 HB3 LYS 105 HB3 LYS 105 17.361 25.755 14.684 900 HG2 LYS 105 HG2 LYS 105 17.915 24.249 13.041 901 HG3 LYS 105 HG3 LYS 105 17.717 25.664 12.020 902 HD2 LYS 105 HD2 LYS 105 20.389 24.712 13.138 903 HD3 LYS 105 HD3 LYS 105 19.793 24.298 11.532 904 HE2 LYS 105 HE2 LYS 105 19.935 26.595 10.814 905 HE3 LYS 105 HE3 LYS 105 20.235 27.157 12.456 906 HZ1 LYS 105 HZ1 LYS 105 22.250 27.116 11.173 907 HZ2 LYS 105 HZ2 LYS 105 22.061 25.465 10.856 908 HZ3 LYS 105 HZ3 LYS 105 22.337 25.997 12.439 909 H LYS 106 H LYS 106 16.976 27.435 11.497 910 HA LYS 106 HA LYS 106 14.223 28.228 12.282 911 HB2 LYS 106 HB2 LYS 106 13.856 29.160 10.084 912 HB3 LYS 106 HB3 LYS 106 15.344 29.857 10.699 913 HG2 LYS 106 HG2 LYS 106 15.508 27.448 8.889 914 HG3 LYS 106 HG3 LYS 106 15.133 29.015 8.178 915 HD2 LYS 106 HD2 LYS 106 17.583 28.519 9.915 916 HD3 LYS 106 HD3 LYS 106 17.582 28.332 8.155 917 HE2 LYS 106 HE2 LYS 106 16.945 30.905 9.655 918 HE3 LYS 106 HE3 LYS 106 18.463 30.536 8.832 919 HZ1 LYS 106 HZ1 LYS 106 15.792 30.833 7.555 920 HZ2 LYS 106 HZ2 LYS 106 17.188 30.326 6.745 921 HZ3 LYS 106 HZ3 LYS 106 17.113 31.882 7.405 922 H LYS 107 H LYS 107 12.796 27.375 10.153 923 HA LYS 107 HA LYS 107 13.496 24.572 9.626 924 HB2 LYS 107 HB2 LYS 107 11.513 25.254 11.504 925 HB3 LYS 107 HB3 LYS 107 10.573 24.956 10.049 926 HG2 LYS 107 HG2 LYS 107 12.545 23.039 11.335 927 HG3 LYS 107 HG3 LYS 107 10.785 22.931 11.437 928 HD2 LYS 107 HD2 LYS 107 10.611 22.394 9.093 929 HD3 LYS 107 HD3 LYS 107 12.300 22.810 8.805 930 HE2 LYS 107 HE2 LYS 107 11.993 20.384 8.834 931 HE3 LYS 107 HE3 LYS 107 13.028 20.909 10.162 932 HZ1 LYS 107 HZ1 LYS 107 11.429 19.254 10.880 933 HZ2 LYS 107 HZ2 LYS 107 10.146 20.228 10.374 934 HZ3 LYS 107 HZ3 LYS 107 11.131 20.729 11.652 935 H LEU 108 H LEU 108 12.963 23.881 7.623 936 HA LEU 108 HA LEU 108 11.966 25.701 5.612 937 HB2 LEU 108 HB2 LEU 108 13.696 23.754 5.306 938 HB3 LEU 108 HB3 LEU 108 12.314 22.684 5.299 939 HG LEU 108 HG LEU 108 13.143 23.157 3.016 940 HD11 LEU 108 HD11 LEU 108 10.399 24.361 3.410 941 HD12 LEU 108 HD12 LEU 108 10.767 22.640 3.266 942 HD13 LEU 108 HD13 LEU 108 11.069 23.714 1.904 943 HD21 LEU 108 HD21 LEU 108 12.418 26.048 3.544 944 HD22 LEU 108 HD22 LEU 108 12.961 25.372 2.005 945 HD23 LEU 108 HD23 LEU 108 14.049 25.390 3.390 946 H TRP 109 H TRP 109 9.882 26.261 6.108 947 HA TRP 109 HA TRP 109 7.796 24.311 6.650 948 HB2 TRP 109 HB2 TRP 109 7.668 27.302 6.076 949 HB3 TRP 109 HB3 TRP 109 6.278 26.314 6.482 950 HD1 TRP 109 HD1 TRP 109 9.706 27.113 8.150 951 HE1 TRP 109 HE1 TRP 109 9.295 27.532 10.648 952 HE3 TRP 109 HE3 TRP 109 4.654 26.272 8.307 953 HZ2 TRP 109 HZ2 TRP 109 7.143 27.529 12.452 954 HZ3 TRP 109 HZ3 TRP 109 3.490 26.522 10.468 955 HH2 TRP 109 HH2 TRP 109 4.712 27.149 12.504 956 H MET 110 H MET 110 5.885 24.193 5.202 957 HA MET 110 HA MET 110 6.348 24.665 2.357 958 HB2 MET 110 HB2 MET 110 5.639 22.207 1.920 959 HB3 MET 110 HB3 MET 110 7.287 22.497 2.451 960 HG2 MET 110 HG2 MET 110 6.774 21.761 4.685 961 HG3 MET 110 HG3 MET 110 5.056 21.645 4.309 962 HE1 MET 110 HE1 MET 110 4.850 20.233 1.546 963 HE2 MET 110 HE2 MET 110 3.952 19.753 2.994 964 HE3 MET 110 HE3 MET 110 4.816 18.539 2.045 965 H ALA 111 H ALA 111 4.553 25.207 1.332 966 HA ALA 111 HA ALA 111 1.975 25.136 2.765 967 HB1 ALA 111 HB1 ALA 111 2.811 27.375 2.279 968 HB2 ALA 111 HB2 ALA 111 1.377 27.053 1.307 969 HB3 ALA 111 HB3 ALA 111 2.980 26.979 0.568 970 H ILE 112 H ILE 112 0.983 23.338 2.123 971 HA ILE 112 HA ILE 112 1.208 22.186 -0.525 972 HB ILE 112 HB ILE 112 -0.674 21.384 1.749 973 HG12 ILE 112 HG12 ILE 112 2.124 20.251 1.252 974 HG13 ILE 112 HG13 ILE 112 1.745 21.435 2.501 975 HG21 ILE 112 HG21 ILE 112 0.377 19.759 -0.593 976 HG22 ILE 112 HG22 ILE 112 -1.259 20.399 -0.419 977 HG23 ILE 112 HG23 ILE 112 -0.675 19.159 0.692 978 HD11 ILE 112 HD11 ILE 112 0.618 18.635 2.333 979 HD12 ILE 112 HD12 ILE 112 0.261 19.823 3.590 980 HD13 ILE 112 HD13 ILE 112 1.896 19.189 3.414 981 H GLU 113 H GLU 113 -0.202 22.656 -2.231 982 HA GLU 113 HA GLU 113 -2.553 24.304 -1.700 983 HB2 GLU 113 HB2 GLU 113 -1.347 24.802 -3.756 984 HB3 GLU 113 HB3 GLU 113 -1.498 23.140 -4.314 985 HG2 GLU 113 HG2 GLU 113 -3.944 23.405 -4.502 986 HG3 GLU 113 HG3 GLU 113 -3.820 25.060 -3.901 987 H LEU 114 H LEU 114 -4.437 23.474 -1.199 988 HA LEU 114 HA LEU 114 -5.140 20.698 -1.842 989 HB2 LEU 114 HB2 LEU 114 -5.974 22.595 0.365 990 HB3 LEU 114 HB3 LEU 114 -7.078 21.318 -0.109 991 HG LEU 114 HG LEU 114 -5.829 20.572 1.812 992 HD11 LEU 114 HD11 LEU 114 -4.804 18.525 0.912 993 HD12 LEU 114 HD12 LEU 114 -4.912 19.191 -0.716 994 HD13 LEU 114 HD13 LEU 114 -6.378 18.876 0.217 995 HD21 LEU 114 HD21 LEU 114 -3.281 21.084 0.247 996 HD22 LEU 114 HD22 LEU 114 -3.382 20.269 1.811 997 HD23 LEU 114 HD23 LEU 114 -3.836 21.972 1.671 998 H GLU 115 H GLU 115 -6.620 20.337 -3.348 999 HA GLU 115 HA GLU 115 -8.784 22.267 -3.932 1000 HB2 GLU 115 HB2 GLU 115 -8.486 22.065 -6.323 1001 HB3 GLU 115 HB3 GLU 115 -6.902 22.486 -5.659 1002 HG2 GLU 115 HG2 GLU 115 -6.156 20.182 -5.850 1003 HG3 GLU 115 HG3 GLU 115 -7.754 19.670 -6.396 1004 H ASP 116 H ASP 116 -10.467 21.067 -5.376 1005 HA ASP 116 HA ASP 116 -11.984 19.402 -5.720 1006 HB2 ASP 116 HB2 ASP 116 -9.952 18.502 -6.939 1007 HB3 ASP 116 HB3 ASP 116 -9.532 17.586 -5.498 1008 H VAL 117 H VAL 117 -11.802 20.316 -3.099 1009 HA VAL 117 HA VAL 117 -11.372 18.228 -1.194 1010 HB VAL 117 HB VAL 117 -12.721 20.918 -0.700 1011 HG11 VAL 117 HG11 VAL 117 -12.010 20.579 1.648 1012 HG12 VAL 117 HG12 VAL 117 -11.353 18.996 1.223 1013 HG13 VAL 117 HG13 VAL 117 -13.088 19.293 1.106 1014 HG21 VAL 117 HG21 VAL 117 -10.495 21.751 0.011 1015 HG22 VAL 117 HG22 VAL 117 -10.489 21.291 -1.691 1016 HG23 VAL 117 HG23 VAL 117 -9.755 20.228 -0.491 1017 H LYS 118 H LYS 118 -12.704 16.566 -1.196 1018 HA LYS 118 HA LYS 118 -15.571 16.747 -1.584 1019 HB2 LYS 118 HB2 LYS 118 -13.613 14.716 -1.982 1020 HB3 LYS 118 HB3 LYS 118 -14.596 14.110 -0.668 1021 HG2 LYS 118 HG2 LYS 118 -15.454 13.271 -2.768 1022 HG3 LYS 118 HG3 LYS 118 -16.628 14.389 -2.067 1023 HD2 LYS 118 HD2 LYS 118 -16.424 14.771 -4.480 1024 HD3 LYS 118 HD3 LYS 118 -15.855 16.180 -3.583 1025 HE2 LYS 118 HE2 LYS 118 -13.504 15.417 -3.922 1026 HE3 LYS 118 HE3 LYS 118 -14.091 14.046 -4.868 1027 HZ1 LYS 118 HZ1 LYS 118 -13.376 15.813 -6.300 1028 HZ2 LYS 118 HZ2 LYS 118 -14.405 16.921 -5.542 1029 HZ3 LYS 118 HZ3 LYS 118 -15.054 15.642 -6.441 1030 H LYS 119 H LYS 119 -17.059 15.800 -0.066 1031 HA LYS 119 HA LYS 119 -16.328 16.173 2.783 1032 HB2 LYS 119 HB2 LYS 119 -18.653 17.174 1.183 1033 HB3 LYS 119 HB3 LYS 119 -19.074 16.537 2.762 1034 HG2 LYS 119 HG2 LYS 119 -16.989 18.696 2.314 1035 HG3 LYS 119 HG3 LYS 119 -18.671 19.029 2.705 1036 HD2 LYS 119 HD2 LYS 119 -16.600 17.630 4.439 1037 HD3 LYS 119 HD3 LYS 119 -17.388 19.177 4.743 1038 HE2 LYS 119 HE2 LYS 119 -19.572 17.903 4.973 1039 HE3 LYS 119 HE3 LYS 119 -18.633 16.411 4.872 1040 HZ1 LYS 119 HZ1 LYS 119 -19.060 17.023 7.149 1041 HZ2 LYS 119 HZ2 LYS 119 -18.283 18.507 6.922 1042 HZ3 LYS 119 HZ3 LYS 119 -17.406 17.067 6.806 1043 H TYR 120 H TYR 120 -16.366 14.377 3.913 1044 HA TYR 120 HA TYR 120 -18.144 12.123 3.266 1045 HB2 TYR 120 HB2 TYR 120 -15.668 12.395 5.003 1046 HB3 TYR 120 HB3 TYR 120 -16.799 11.076 5.294 1047 HD1 TYR 120 HD1 TYR 120 -15.077 12.668 2.335 1048 HD2 TYR 120 HD2 TYR 120 -16.261 9.043 4.269 1049 HE1 TYR 120 HE1 TYR 120 -14.024 11.355 0.542 1050 HE2 TYR 120 HE2 TYR 120 -15.213 7.741 2.473 1051 HH TYR 120 HH TYR 120 -13.092 9.071 0.213 1052 H ASP 121 H ASP 121 -19.970 13.369 3.802 1053 HA ASP 121 HA ASP 121 -20.637 14.291 6.408 1054 HB2 ASP 121 HB2 ASP 121 -22.540 13.270 4.240 1055 HB3 ASP 121 HB3 ASP 121 -22.943 14.365 5.560 1056 H LYS 122 H LYS 122 -20.585 11.213 4.852 1057 HA LYS 122 HA LYS 122 -21.917 9.704 6.918 1058 HB2 LYS 122 HB2 LYS 122 -21.161 7.748 5.543 1059 HB3 LYS 122 HB3 LYS 122 -22.039 8.949 4.602 1060 HG2 LYS 122 HG2 LYS 122 -19.772 9.855 3.856 1061 HG3 LYS 122 HG3 LYS 122 -19.048 8.436 4.612 1062 HD2 LYS 122 HD2 LYS 122 -19.302 8.027 2.232 1063 HD3 LYS 122 HD3 LYS 122 -20.405 6.975 3.121 1064 HE2 LYS 122 HE2 LYS 122 -22.286 8.463 2.584 1065 HE3 LYS 122 HE3 LYS 122 -21.195 9.583 1.766 1066 HZ1 LYS 122 HZ1 LYS 122 -22.400 8.131 0.233 1067 HZ2 LYS 122 HZ2 LYS 122 -21.677 6.773 0.937 1068 HZ3 LYS 122 HZ3 LYS 122 -20.725 7.910 0.124 1069 HA PRO 123 HA PRO 123 -18.155 9.361 9.401 1070 HB2 PRO 123 HB2 PRO 123 -19.053 7.735 11.350 1071 HB3 PRO 123 HB3 PRO 123 -19.758 9.344 11.120 1072 HG2 PRO 123 HG2 PRO 123 -20.815 6.659 10.229 1073 HG3 PRO 123 HG3 PRO 123 -21.690 8.010 10.984 1074 HD2 PRO 123 HD2 PRO 123 -21.622 7.517 8.233 1075 HD3 PRO 123 HD3 PRO 123 -21.977 9.097 8.963 1076 H ILE 124 H ILE 124 -17.408 8.113 7.230 1077 HA ILE 124 HA ILE 124 -16.968 5.268 7.547 1078 HB ILE 124 HB ILE 124 -15.773 7.246 5.557 1079 HG12 ILE 124 HG12 ILE 124 -17.927 5.093 5.292 1080 HG13 ILE 124 HG13 ILE 124 -18.154 6.835 5.166 1081 HG21 ILE 124 HG21 ILE 124 -14.134 5.433 5.936 1082 HG22 ILE 124 HG22 ILE 124 -14.833 5.310 4.324 1083 HG23 ILE 124 HG23 ILE 124 -15.374 4.221 5.604 1084 HD11 ILE 124 HD11 ILE 124 -16.628 5.091 3.238 1085 HD12 ILE 124 HD12 ILE 124 -16.811 6.843 3.113 1086 HD13 ILE 124 HD13 ILE 124 -18.224 5.797 2.990 1087 H LYS 125 H LYS 125 -15.586 4.451 8.914 1088 HA LYS 125 HA LYS 125 -13.617 5.983 10.315 1089 HB2 LYS 125 HB2 LYS 125 -14.336 3.021 10.375 1090 HB3 LYS 125 HB3 LYS 125 -12.991 3.659 11.304 1091 HG2 LYS 125 HG2 LYS 125 -14.827 3.488 12.806 1092 HG3 LYS 125 HG3 LYS 125 -14.615 5.209 12.467 1093 HD2 LYS 125 HD2 LYS 125 -16.488 5.069 10.815 1094 HD3 LYS 125 HD3 LYS 125 -16.709 3.369 11.243 1095 HE2 LYS 125 HE2 LYS 125 -17.251 4.035 13.564 1096 HE3 LYS 125 HE3 LYS 125 -17.028 5.733 13.127 1097 HZ1 LYS 125 HZ1 LYS 125 -18.826 5.453 11.489 1098 HZ2 LYS 125 HZ2 LYS 125 -19.337 5.196 13.082 1099 HZ3 LYS 125 HZ3 LYS 125 -19.082 3.878 12.057 1100 HA PRO 126 HA PRO 126 -10.076 5.222 7.628 1101 HB2 PRO 126 HB2 PRO 126 -8.032 5.486 9.436 1102 HB3 PRO 126 HB3 PRO 126 -8.953 6.870 8.830 1103 HG2 PRO 126 HG2 PRO 126 -9.323 5.330 11.404 1104 HG3 PRO 126 HG3 PRO 126 -9.259 7.092 11.162 1105 HD2 PRO 126 HD2 PRO 126 -11.613 5.794 11.418 1106 HD3 PRO 126 HD3 PRO 126 -11.448 7.179 10.314 1107 H LYS 127 H LYS 127 -8.566 3.593 7.148 1108 HA LYS 127 HA LYS 127 -9.059 0.957 8.097 1109 HB2 LYS 127 HB2 LYS 127 -8.022 1.950 5.776 1110 HB3 LYS 127 HB3 LYS 127 -6.512 1.538 6.571 1111 HG2 LYS 127 HG2 LYS 127 -8.796 -0.372 5.937 1112 HG3 LYS 127 HG3 LYS 127 -7.280 -0.234 5.044 1113 HD2 LYS 127 HD2 LYS 127 -6.048 -1.005 7.071 1114 HD3 LYS 127 HD3 LYS 127 -7.583 -1.166 7.930 1115 HE2 LYS 127 HE2 LYS 127 -8.311 -2.859 6.254 1116 HE3 LYS 127 HE3 LYS 127 -6.733 -2.731 5.468 1117 HZ1 LYS 127 HZ1 LYS 127 -5.719 -3.459 7.551 1118 HZ2 LYS 127 HZ2 LYS 127 -6.786 -4.615 6.938 1119 HZ3 LYS 127 HZ3 LYS 127 -7.247 -3.648 8.247 1120 H ARG 128 H ARG 128 -6.775 3.457 8.916 1121 HA ARG 128 HA ARG 128 -5.499 1.791 11.007 1122 HB2 ARG 128 HB2 ARG 128 -3.333 2.754 10.481 1123 HB3 ARG 128 HB3 ARG 128 -4.008 2.108 8.989 1124 HG2 ARG 128 HG2 ARG 128 -4.856 4.645 8.705 1125 HG3 ARG 128 HG3 ARG 128 -3.493 4.966 9.780 1126 HD2 ARG 128 HD2 ARG 128 -2.710 5.217 7.515 1127 HD3 ARG 128 HD3 ARG 128 -2.027 3.702 8.120 1128 HE ARG 128 HE ARG 128 -4.382 3.902 6.317 1129 HH11 ARG 128 HH11 ARG 128 -1.505 2.136 7.329 1130 HH12 ARG 128 HH12 ARG 128 -1.731 0.890 6.143 1131 HH21 ARG 128 HH21 ARG 128 -4.650 2.255 4.783 1132 HH22 ARG 128 HH22 ARG 128 -3.499 0.959 4.702 1133 H LEU 129 H LEU 129 -4.509 3.139 12.718 1134 HA LEU 129 HA LEU 129 -6.449 5.065 13.656 1135 HB2 LEU 129 HB2 LEU 129 -5.194 3.230 15.028 1136 HB3 LEU 129 HB3 LEU 129 -3.837 4.332 15.045 1137 HG LEU 129 HG LEU 129 -5.227 4.346 17.139 1138 HD11 LEU 129 HD11 LEU 129 -5.317 6.740 17.492 1139 HD12 LEU 129 HD12 LEU 129 -5.198 7.035 15.754 1140 HD13 LEU 129 HD13 LEU 129 -3.847 6.300 16.622 1141 HD21 LEU 129 HD21 LEU 129 -7.410 3.961 16.096 1142 HD22 LEU 129 HD22 LEU 129 -7.375 5.584 15.400 1143 HD23 LEU 129 HD23 LEU 129 -7.439 5.374 17.153 1144 H VAL 130 H VAL 130 -6.314 7.210 13.282 1145 HA VAL 130 HA VAL 130 -3.728 8.374 12.426 1146 HB VAL 130 HB VAL 130 -6.472 9.602 11.911 1147 HG11 VAL 130 HG11 VAL 130 -5.272 10.945 10.186 1148 HG12 VAL 130 HG12 VAL 130 -3.746 10.194 10.673 1149 HG13 VAL 130 HG13 VAL 130 -4.626 11.218 11.809 1150 HG21 VAL 130 HG21 VAL 130 -6.393 7.410 10.779 1151 HG22 VAL 130 HG22 VAL 130 -4.875 7.853 9.993 1152 HG23 VAL 130 HG23 VAL 130 -6.359 8.726 9.603 1153 HA PRO 131 HA PRO 131 -4.201 10.680 16.400 1154 HB2 PRO 131 HB2 PRO 131 -1.590 10.797 17.046 1155 HB3 PRO 131 HB3 PRO 131 -2.501 9.291 17.251 1156 HG2 PRO 131 HG2 PRO 131 -0.647 10.095 15.003 1157 HG3 PRO 131 HG3 PRO 131 -0.715 8.561 15.899 1158 HD2 PRO 131 HD2 PRO 131 -1.921 8.937 13.445 1159 HD3 PRO 131 HD3 PRO 131 -2.498 7.761 14.647 1160 H VAL 132 H VAL 132 -2.743 12.722 17.035 1161 HA VAL 132 HA VAL 132 -3.428 14.780 15.277 1162 HB VAL 132 HB VAL 132 -3.187 15.116 17.700 1163 HG11 VAL 132 HG11 VAL 132 -0.181 14.840 17.312 1164 HG12 VAL 132 HG12 VAL 132 -1.231 13.686 18.136 1165 HG13 VAL 132 HG13 VAL 132 -0.994 15.296 18.813 1166 HG21 VAL 132 HG21 VAL 132 -3.060 17.114 16.253 1167 HG22 VAL 132 HG22 VAL 132 -1.306 16.956 16.162 1168 HG23 VAL 132 HG23 VAL 132 -2.079 17.325 17.705 1169 H GLY 133 H GLY 133 -0.410 12.993 15.545 1170 HA2 GLY 133 HA2 GLY 133 1.306 14.717 14.072 1171 HA3 GLY 133 HA3 GLY 133 1.566 13.009 14.385 1172 H GLY 134 H GLY 134 -1.159 12.512 13.052 1173 HA2 GLY 134 HA2 GLY 134 -2.115 12.280 10.969 1174 HA3 GLY 134 HA3 GLY 134 -0.831 13.259 10.275 1175 H GLN 135 H GLN 135 -2.080 10.612 9.493 1176 HA GLN 135 HA GLN 135 0.353 8.907 9.370 1177 HB2 GLN 135 HB2 GLN 135 -2.563 8.098 8.933 1178 HB3 GLN 135 HB3 GLN 135 -1.174 7.015 8.847 1179 HG2 GLN 135 HG2 GLN 135 -2.221 8.437 11.307 1180 HG3 GLN 135 HG3 GLN 135 -2.357 6.719 10.937 1181 HE21 GLN 135 HE21 GLN 135 -0.255 9.255 12.070 1182 HE22 GLN 135 HE22 GLN 135 1.024 8.233 12.609 1183 H TYR 136 H TYR 136 0.847 7.921 7.316 1184 HA TYR 136 HA TYR 136 -0.040 9.410 4.970 1185 HB2 TYR 136 HB2 TYR 136 2.122 7.341 5.429 1186 HB3 TYR 136 HB3 TYR 136 1.568 7.678 3.792 1187 HD1 TYR 136 HD1 TYR 136 1.563 10.167 3.046 1188 HD2 TYR 136 HD2 TYR 136 3.851 8.728 6.357 1189 HE1 TYR 136 HE1 TYR 136 3.021 12.133 2.892 1190 HE2 TYR 136 HE2 TYR 136 5.316 10.703 6.200 1191 HH TYR 136 HH TYR 136 4.558 13.407 4.191 1192 H LEU 137 H LEU 137 -1.593 8.779 3.662 1193 HA LEU 137 HA LEU 137 -2.802 6.120 3.897 1194 HB2 LEU 137 HB2 LEU 137 -4.044 8.506 3.584 1195 HB3 LEU 137 HB3 LEU 137 -3.773 8.157 1.882 1196 HG LEU 137 HG LEU 137 -5.301 6.338 3.809 1197 HD11 LEU 137 HD11 LEU 137 -6.401 8.205 1.695 1198 HD12 LEU 137 HD12 LEU 137 -6.517 8.419 3.444 1199 HD13 LEU 137 HD13 LEU 137 -7.336 7.065 2.670 1200 HD21 LEU 137 HD21 LEU 137 -4.290 5.072 1.956 1201 HD22 LEU 137 HD22 LEU 137 -5.052 6.150 0.786 1202 HD23 LEU 137 HD23 LEU 137 -6.045 5.115 1.816 1203 H ARG 138 H ARG 138 -2.228 4.559 2.520 1204 HA ARG 138 HA ARG 138 -0.964 5.209 -0.054 1205 HB2 ARG 138 HB2 ARG 138 0.770 3.527 0.260 1206 HB3 ARG 138 HB3 ARG 138 0.886 4.742 1.519 1207 HG2 ARG 138 HG2 ARG 138 -0.464 2.073 1.963 1208 HG3 ARG 138 HG3 ARG 138 1.273 2.294 2.163 1209 HD2 ARG 138 HD2 ARG 138 0.769 4.088 3.867 1210 HD3 ARG 138 HD3 ARG 138 -0.937 3.638 3.744 1211 HE ARG 138 HE ARG 138 -0.393 1.468 4.600 1212 HH11 ARG 138 HH11 ARG 138 2.195 3.825 4.985 1213 HH12 ARG 138 HH12 ARG 138 3.040 2.859 6.150 1214 HH21 ARG 138 HH21 ARG 138 0.733 0.232 6.116 1215 HH22 ARG 138 HH22 ARG 138 2.212 0.830 6.795 1216 H GLU 139 H GLU 139 -1.408 3.753 -1.717 1217 HA GLU 139 HA GLU 139 -3.449 1.685 -1.078 1218 HB2 GLU 139 HB2 GLU 139 -3.710 3.742 -2.852 1219 HB3 GLU 139 HB3 GLU 139 -3.000 2.553 -3.931 1220 HG2 GLU 139 HG2 GLU 139 -5.564 2.248 -2.333 1221 HG3 GLU 139 HG3 GLU 139 -5.447 2.557 -4.065 Start of MODEL 5 1 H MET 1 H MET 1 0.453 -0.988 -0.123 2 HA MET 1 HA MET 1 2.797 -0.970 -0.622 3 HB2 MET 1 HB2 MET 1 1.118 -1.748 -2.291 4 HB3 MET 1 HB3 MET 1 1.037 -0.134 -2.967 5 HG2 MET 1 HG2 MET 1 3.366 -0.307 -3.703 6 HG3 MET 1 HG3 MET 1 3.483 -1.918 -2.992 7 HE1 MET 1 HE1 MET 1 2.212 -4.065 -3.955 8 HE2 MET 1 HE2 MET 1 1.032 -3.984 -5.263 9 HE3 MET 1 HE3 MET 1 0.679 -3.225 -3.710 10 H SER 2 H SER 2 4.597 0.126 -1.744 11 HA SER 2 HA SER 2 5.022 2.756 -0.831 12 HB2 SER 2 HB2 SER 2 6.623 1.180 -2.882 13 HB3 SER 2 HB3 SER 2 7.199 2.586 -1.980 14 HG SER 2 HG SER 2 6.274 0.884 -0.193 15 H LYS 3 H LYS 3 3.348 1.811 -3.630 16 HA LYS 3 HA LYS 3 3.802 3.927 -5.407 17 HB2 LYS 3 HB2 LYS 3 1.532 3.446 -6.270 18 HB3 LYS 3 HB3 LYS 3 2.466 1.975 -6.019 19 HG2 LYS 3 HG2 LYS 3 1.246 1.565 -3.897 20 HG3 LYS 3 HG3 LYS 3 0.288 3.029 -4.161 21 HD2 LYS 3 HD2 LYS 3 0.335 0.625 -6.037 22 HD3 LYS 3 HD3 LYS 3 -0.887 0.901 -4.792 23 HE2 LYS 3 HE2 LYS 3 -1.497 3.052 -5.918 24 HE3 LYS 3 HE3 LYS 3 -0.336 2.674 -7.200 25 HZ1 LYS 3 HZ1 LYS 3 -1.607 0.741 -7.779 26 HZ2 LYS 3 HZ2 LYS 3 -2.635 2.078 -7.754 27 HZ3 LYS 3 HZ3 LYS 3 -2.654 0.972 -6.471 28 H ILE 4 H ILE 4 2.105 3.880 -2.340 29 HA ILE 4 HA ILE 4 1.074 5.403 -1.042 30 HB ILE 4 HB ILE 4 2.318 7.567 -2.818 31 HG12 ILE 4 HG12 ILE 4 4.078 5.995 -2.073 32 HG13 ILE 4 HG13 ILE 4 4.276 7.544 -1.266 33 HG21 ILE 4 HG21 ILE 4 0.691 8.538 -1.249 34 HG22 ILE 4 HG22 ILE 4 2.325 9.003 -0.777 35 HG23 ILE 4 HG23 ILE 4 1.477 7.731 0.110 36 HD11 ILE 4 HD11 ILE 4 3.263 6.594 0.767 37 HD12 ILE 4 HD12 ILE 4 4.690 5.699 0.247 38 HD13 ILE 4 HD13 ILE 4 3.084 5.043 -0.060 39 H VAL 5 H VAL 5 -0.680 7.334 -1.206 40 HA VAL 5 HA VAL 5 -1.661 7.915 -3.881 41 HB VAL 5 HB VAL 5 -4.134 7.930 -2.989 42 HG11 VAL 5 HG11 VAL 5 -2.828 5.275 -3.685 43 HG12 VAL 5 HG12 VAL 5 -3.434 6.482 -4.827 44 HG13 VAL 5 HG13 VAL 5 -4.562 5.629 -3.771 45 HG21 VAL 5 HG21 VAL 5 -3.633 7.409 -0.630 46 HG22 VAL 5 HG22 VAL 5 -2.990 5.835 -1.104 47 HG23 VAL 5 HG23 VAL 5 -4.704 6.195 -1.336 48 H GLY 6 H GLY 6 -1.661 8.560 -0.409 49 HA2 GLY 6 HA2 GLY 6 -1.429 11.395 -0.763 50 HA3 GLY 6 HA3 GLY 6 -3.034 10.917 -0.220 51 H VAL 7 H VAL 7 -2.398 12.306 1.597 52 HA VAL 7 HA VAL 7 -1.323 10.640 3.787 53 HB VAL 7 HB VAL 7 0.493 12.216 3.148 54 HG11 VAL 7 HG11 VAL 7 0.269 14.657 3.435 55 HG12 VAL 7 HG12 VAL 7 -1.446 14.463 3.799 56 HG13 VAL 7 HG13 VAL 7 -0.834 14.049 2.197 57 HG21 VAL 7 HG21 VAL 7 0.343 11.547 5.515 58 HG22 VAL 7 HG22 VAL 7 -0.725 12.913 5.854 59 HG23 VAL 7 HG23 VAL 7 0.950 13.201 5.377 60 H THR 8 H THR 8 -2.450 10.859 5.706 61 HA THR 8 HA THR 8 -4.835 12.608 5.700 62 HB THR 8 HB THR 8 -5.568 10.302 5.592 63 HG1 THR 8 HG1 THR 8 -6.798 11.611 6.969 64 HG21 THR 8 HG21 THR 8 -3.895 9.748 8.073 65 HG22 THR 8 HG22 THR 8 -3.574 9.136 6.448 66 HG23 THR 8 HG23 THR 8 -5.020 8.616 7.317 67 H TYR 9 H TYR 9 -5.232 13.866 7.437 68 HA TYR 9 HA TYR 9 -3.480 13.705 9.815 69 HB2 TYR 9 HB2 TYR 9 -3.839 16.051 7.967 70 HB3 TYR 9 HB3 TYR 9 -3.865 16.427 9.682 71 HD1 TYR 9 HD1 TYR 9 -1.743 15.206 6.900 72 HD2 TYR 9 HD2 TYR 9 -1.866 16.201 11.057 73 HE1 TYR 9 HE1 TYR 9 0.713 15.202 6.980 74 HE2 TYR 9 HE2 TYR 9 0.586 16.197 11.133 75 HH TYR 9 HH TYR 9 2.458 15.038 9.777 76 HA PRO 10 HA PRO 10 -7.394 13.987 11.974 77 HB2 PRO 10 HB2 PRO 10 -6.550 14.549 14.483 78 HB3 PRO 10 HB3 PRO 10 -6.207 12.983 13.728 79 HG2 PRO 10 HG2 PRO 10 -4.411 15.415 13.912 80 HG3 PRO 10 HG3 PRO 10 -4.037 13.725 14.314 81 HD2 PRO 10 HD2 PRO 10 -3.346 14.817 11.932 82 HD3 PRO 10 HD3 PRO 10 -3.812 13.108 12.076 83 H ILE 11 H ILE 11 -5.273 16.602 11.508 84 HA ILE 11 HA ILE 11 -5.256 18.820 11.738 85 HB ILE 11 HB ILE 11 -8.288 18.686 11.431 86 HG12 ILE 11 HG12 ILE 11 -7.185 17.355 9.631 87 HG13 ILE 11 HG13 ILE 11 -7.960 18.797 8.987 88 HG21 ILE 11 HG21 ILE 11 -8.054 20.930 10.396 89 HG22 ILE 11 HG22 ILE 11 -6.318 20.896 10.714 90 HG23 ILE 11 HG23 ILE 11 -7.459 20.919 12.059 91 HD11 ILE 11 HD11 ILE 11 -5.825 18.373 7.919 92 HD12 ILE 11 HD12 ILE 11 -4.998 18.451 9.474 93 HD13 ILE 11 HD13 ILE 11 -5.777 19.893 8.812 94 HA PRO 12 HA PRO 12 -6.270 18.865 16.265 95 HB2 PRO 12 HB2 PRO 12 -3.909 19.838 17.166 96 HB3 PRO 12 HB3 PRO 12 -4.064 18.153 16.641 97 HG2 PRO 12 HG2 PRO 12 -2.983 20.521 15.105 98 HG3 PRO 12 HG3 PRO 12 -2.286 18.895 15.275 99 HD2 PRO 12 HD2 PRO 12 -3.754 19.661 13.083 100 HD3 PRO 12 HD3 PRO 12 -3.695 17.982 13.662 101 H LYS 13 H LYS 13 -6.751 20.961 14.107 102 HA LYS 13 HA LYS 13 -7.049 23.347 15.801 103 HB2 LYS 13 HB2 LYS 13 -6.217 23.272 12.853 104 HB3 LYS 13 HB3 LYS 13 -6.576 24.732 13.758 105 HG2 LYS 13 HG2 LYS 13 -4.369 22.988 14.809 106 HG3 LYS 13 HG3 LYS 13 -4.066 23.857 13.311 107 HD2 LYS 13 HD2 LYS 13 -3.217 25.177 15.145 108 HD3 LYS 13 HD3 LYS 13 -4.622 25.998 14.468 109 HE2 LYS 13 HE2 LYS 13 -4.678 26.152 16.889 110 HE3 LYS 13 HE3 LYS 13 -5.995 25.113 16.350 111 HZ1 LYS 13 HZ1 LYS 13 -4.591 23.185 16.911 112 HZ2 LYS 13 HZ2 LYS 13 -4.940 24.152 18.246 113 HZ3 LYS 13 HZ3 LYS 13 -3.411 24.231 17.528 114 H ARG 14 H ARG 14 -8.887 24.678 15.090 115 HA ARG 14 HA ARG 14 -11.202 23.207 14.223 116 HB2 ARG 14 HB2 ARG 14 -11.209 25.065 15.920 117 HB3 ARG 14 HB3 ARG 14 -10.835 26.202 14.631 118 HG2 ARG 14 HG2 ARG 14 -13.053 25.363 13.542 119 HG3 ARG 14 HG3 ARG 14 -13.404 24.678 15.132 120 HD2 ARG 14 HD2 ARG 14 -12.840 27.597 14.518 121 HD3 ARG 14 HD3 ARG 14 -14.425 26.898 14.864 122 HE ARG 14 HE ARG 14 -12.529 26.439 16.974 123 HH11 ARG 14 HH11 ARG 14 -14.758 28.843 15.703 124 HH12 ARG 14 HH12 ARG 14 -14.935 29.650 17.225 125 HH21 ARG 14 HH21 ARG 14 -12.761 27.533 18.959 126 HH22 ARG 14 HH22 ARG 14 -13.803 28.917 19.065 127 H PHE 15 H PHE 15 -8.726 24.760 12.569 128 HA PHE 15 HA PHE 15 -10.100 26.108 10.474 129 HB2 PHE 15 HB2 PHE 15 -7.206 25.209 10.619 130 HB3 PHE 15 HB3 PHE 15 -7.863 26.392 9.496 131 HD1 PHE 15 HD1 PHE 15 -9.201 28.401 10.769 132 HD2 PHE 15 HD2 PHE 15 -6.023 26.082 12.437 133 HE1 PHE 15 HE1 PHE 15 -8.688 30.212 12.338 134 HE2 PHE 15 HE2 PHE 15 -5.521 27.901 14.005 135 HZ PHE 15 HZ PHE 15 -6.850 29.969 13.955 136 H MET 16 H MET 16 -9.892 22.794 10.872 137 HA MET 16 HA MET 16 -9.690 21.811 8.253 138 HB2 MET 16 HB2 MET 16 -11.408 20.063 9.021 139 HB3 MET 16 HB3 MET 16 -9.942 20.193 9.978 140 HG2 MET 16 HG2 MET 16 -11.760 19.905 11.494 141 HG3 MET 16 HG3 MET 16 -11.234 21.583 11.640 142 HE1 MET 16 HE1 MET 16 -13.982 20.774 12.899 143 HE2 MET 16 HE2 MET 16 -15.057 22.026 12.278 144 HE3 MET 16 HE3 MET 16 -13.431 22.449 12.819 145 H ASP 17 H ASP 17 -12.233 23.572 9.851 146 HA ASP 17 HA ASP 17 -14.412 23.552 8.187 147 HB2 ASP 17 HB2 ASP 17 -14.416 24.715 10.323 148 HB3 ASP 17 HB3 ASP 17 -13.161 25.819 9.782 149 H ARG 18 H ARG 18 -11.467 25.461 7.826 150 HA ARG 18 HA ARG 18 -12.166 27.265 5.828 151 HB2 ARG 18 HB2 ARG 18 -9.529 25.964 6.571 152 HB3 ARG 18 HB3 ARG 18 -9.630 27.175 5.297 153 HG2 ARG 18 HG2 ARG 18 -10.408 27.615 8.199 154 HG3 ARG 18 HG3 ARG 18 -8.907 28.143 7.429 155 HD2 ARG 18 HD2 ARG 18 -10.699 29.285 5.721 156 HD3 ARG 18 HD3 ARG 18 -11.665 29.267 7.194 157 HE ARG 18 HE ARG 18 -10.403 30.988 7.987 158 HH11 ARG 18 HH11 ARG 18 -8.503 29.326 5.545 159 HH12 ARG 18 HH12 ARG 18 -7.283 30.553 5.481 160 HH21 ARG 18 HH21 ARG 18 -8.791 32.613 7.873 161 HH22 ARG 18 HH22 ARG 18 -7.438 32.413 6.807 162 H PHE 19 H PHE 19 -10.771 24.020 5.478 163 HA PHE 19 HA PHE 19 -10.472 24.062 2.650 164 HB2 PHE 19 HB2 PHE 19 -10.715 21.631 4.485 165 HB3 PHE 19 HB3 PHE 19 -10.053 21.630 2.852 166 HD1 PHE 19 HD1 PHE 19 -9.420 22.615 6.368 167 HD2 PHE 19 HD2 PHE 19 -7.773 22.386 2.429 168 HE1 PHE 19 HE1 PHE 19 -7.170 22.976 7.283 169 HE2 PHE 19 HE2 PHE 19 -5.528 22.758 3.350 170 HZ PHE 19 HZ PHE 19 -5.222 23.050 5.777 171 H PHE 20 H PHE 20 -13.146 23.290 4.791 172 HA PHE 20 HA PHE 20 -14.727 21.992 2.683 173 HB2 PHE 20 HB2 PHE 20 -15.405 22.549 5.605 174 HB3 PHE 20 HB3 PHE 20 -16.376 21.581 4.499 175 HD1 PHE 20 HD1 PHE 20 -14.623 19.771 3.184 176 HD2 PHE 20 HD2 PHE 20 -14.363 21.179 7.206 177 HE1 PHE 20 HE1 PHE 20 -13.364 17.759 3.806 178 HE2 PHE 20 HE2 PHE 20 -13.100 19.162 7.821 179 HZ PHE 20 HZ PHE 20 -12.601 17.452 6.121 180 H LYS 21 H LYS 21 -14.306 25.134 4.040 181 HA LYS 21 HA LYS 21 -16.966 26.153 3.559 182 HB2 LYS 21 HB2 LYS 21 -15.631 27.099 5.364 183 HB3 LYS 21 HB3 LYS 21 -14.320 27.499 4.272 184 HG2 LYS 21 HG2 LYS 21 -16.988 28.809 3.779 185 HG3 LYS 21 HG3 LYS 21 -16.060 29.337 5.185 186 HD2 LYS 21 HD2 LYS 21 -14.104 29.793 3.642 187 HD3 LYS 21 HD3 LYS 21 -15.149 29.407 2.274 188 HE2 LYS 21 HE2 LYS 21 -15.606 31.671 4.255 189 HE3 LYS 21 HE3 LYS 21 -14.956 31.847 2.625 190 HZ1 LYS 21 HZ1 LYS 21 -17.055 30.974 1.759 191 HZ2 LYS 21 HZ2 LYS 21 -17.279 32.388 2.649 192 HZ3 LYS 21 HZ3 LYS 21 -17.683 30.896 3.329 193 H LYS 22 H LYS 22 -13.766 26.793 2.103 194 HA LYS 22 HA LYS 22 -15.018 28.096 -0.225 195 HB2 LYS 22 HB2 LYS 22 -12.724 28.872 -0.720 196 HB3 LYS 22 HB3 LYS 22 -13.190 29.258 0.934 197 HG2 LYS 22 HG2 LYS 22 -11.946 27.095 1.607 198 HG3 LYS 22 HG3 LYS 22 -11.268 27.125 -0.019 199 HD2 LYS 22 HD2 LYS 22 -9.689 28.132 1.507 200 HD3 LYS 22 HD3 LYS 22 -10.328 29.403 0.459 201 HE2 LYS 22 HE2 LYS 22 -11.807 30.168 2.257 202 HE3 LYS 22 HE3 LYS 22 -11.295 28.830 3.290 203 HZ1 LYS 22 HZ1 LYS 22 -10.158 30.835 3.896 204 HZ2 LYS 22 HZ2 LYS 22 -9.592 31.059 2.324 205 HZ3 LYS 22 HZ3 LYS 22 -9.039 29.744 3.242 206 H GLY 23 H GLY 23 -13.867 25.031 0.641 207 HA2 GLY 23 HA2 GLY 23 -13.857 23.067 -0.539 208 HA3 GLY 23 HA3 GLY 23 -14.336 23.950 -1.978 209 H LYS 24 H LYS 24 -11.584 25.366 -0.695 210 HA LYS 24 HA LYS 24 -9.501 23.733 -1.708 211 HB2 LYS 24 HB2 LYS 24 -8.850 25.230 -3.652 212 HB3 LYS 24 HB3 LYS 24 -10.297 24.260 -3.911 213 HG2 LYS 24 HG2 LYS 24 -11.709 26.235 -3.410 214 HG3 LYS 24 HG3 LYS 24 -10.249 27.208 -3.188 215 HD2 LYS 24 HD2 LYS 24 -9.610 26.751 -5.551 216 HD3 LYS 24 HD3 LYS 24 -11.106 25.831 -5.764 217 HE2 LYS 24 HE2 LYS 24 -12.427 27.855 -5.307 218 HE3 LYS 24 HE3 LYS 24 -10.944 28.776 -5.037 219 HZ1 LYS 24 HZ1 LYS 24 -10.323 28.381 -7.329 220 HZ2 LYS 24 HZ2 LYS 24 -11.840 29.125 -7.247 221 HZ3 LYS 24 HZ3 LYS 24 -11.723 27.474 -7.585 222 H ASP 25 H ASP 25 -8.234 24.191 -0.032 223 HA ASP 25 HA ASP 25 -7.566 26.997 0.666 224 HB2 ASP 25 HB2 ASP 25 -9.334 25.973 2.164 225 HB3 ASP 25 HB3 ASP 25 -8.190 24.726 2.611 226 H VAL 26 H VAL 26 -5.561 26.405 2.598 227 HA VAL 26 HA VAL 26 -3.614 24.722 1.149 228 HB VAL 26 HB VAL 26 -3.129 27.606 2.063 229 HG11 VAL 26 HG11 VAL 26 -0.791 27.348 1.243 230 HG12 VAL 26 HG12 VAL 26 -1.085 25.629 0.966 231 HG13 VAL 26 HG13 VAL 26 -1.131 26.278 2.606 232 HG21 VAL 26 HG21 VAL 26 -2.994 26.387 -0.721 233 HG22 VAL 26 HG22 VAL 26 -2.606 28.062 -0.313 234 HG23 VAL 26 HG23 VAL 26 -4.257 27.465 -0.118 235 H PHE 27 H PHE 27 -2.912 23.249 2.542 236 HA PHE 27 HA PHE 27 -2.890 23.716 5.431 237 HB2 PHE 27 HB2 PHE 27 -3.787 21.551 4.567 238 HB3 PHE 27 HB3 PHE 27 -2.222 21.189 3.848 239 HD1 PHE 27 HD1 PHE 27 -3.958 21.762 7.095 240 HD2 PHE 27 HD2 PHE 27 -0.491 20.167 5.164 241 HE1 PHE 27 HE1 PHE 27 -3.245 20.743 9.205 242 HE2 PHE 27 HE2 PHE 27 0.210 19.145 7.280 243 HZ PHE 27 HZ PHE 27 -1.165 19.424 9.307 244 H VAL 28 H VAL 28 -1.137 24.870 6.087 245 HA VAL 28 HA VAL 28 1.506 24.399 4.922 246 HB VAL 28 HB VAL 28 2.319 26.196 6.461 247 HG11 VAL 28 HG11 VAL 28 1.623 26.773 4.196 248 HG12 VAL 28 HG12 VAL 28 1.179 28.075 5.300 249 HG13 VAL 28 HG13 VAL 28 -0.057 26.955 4.718 250 HG21 VAL 28 HG21 VAL 28 -0.608 26.494 7.281 251 HG22 VAL 28 HG22 VAL 28 0.704 27.595 7.722 252 HG23 VAL 28 HG23 VAL 28 0.709 25.936 8.320 253 H LYS 29 H LYS 29 3.215 23.567 6.022 254 HA LYS 29 HA LYS 29 2.796 22.159 8.559 255 HB2 LYS 29 HB2 LYS 29 2.364 20.602 6.602 256 HB3 LYS 29 HB3 LYS 29 3.997 20.904 6.034 257 HG2 LYS 29 HG2 LYS 29 4.337 18.904 7.126 258 HG3 LYS 29 HG3 LYS 29 4.663 20.004 8.461 259 HD2 LYS 29 HD2 LYS 29 2.015 18.565 7.961 260 HD3 LYS 29 HD3 LYS 29 3.235 18.066 9.127 261 HE2 LYS 29 HE2 LYS 29 2.879 20.197 10.369 262 HE3 LYS 29 HE3 LYS 29 1.625 20.643 9.214 263 HZ1 LYS 29 HZ1 LYS 29 1.593 18.361 11.097 264 HZ2 LYS 29 HZ2 LYS 29 0.435 18.611 9.892 265 HZ3 LYS 29 HZ3 LYS 29 0.616 19.741 11.137 266 HA PRO 30 HA PRO 30 7.040 23.911 8.994 267 HB2 PRO 30 HB2 PRO 30 7.455 23.247 11.605 268 HB3 PRO 30 HB3 PRO 30 6.390 24.583 11.144 269 HG2 PRO 30 HG2 PRO 30 5.658 21.752 11.905 270 HG3 PRO 30 HG3 PRO 30 4.924 23.278 12.447 271 HD2 PRO 30 HD2 PRO 30 3.835 21.752 10.455 272 HD3 PRO 30 HD3 PRO 30 3.674 23.521 10.496 273 H ALA 31 H ALA 31 7.122 21.867 7.429 274 HA ALA 31 HA ALA 31 7.772 19.797 6.771 275 HB1 ALA 31 HB1 ALA 31 10.279 20.697 8.209 276 HB2 ALA 31 HB2 ALA 31 9.785 21.194 6.590 277 HB3 ALA 31 HB3 ALA 31 10.194 19.505 6.910 278 H THR 32 H THR 32 6.484 18.299 7.843 279 HA THR 32 HA THR 32 7.741 16.813 10.085 280 HB THR 32 HB THR 32 4.741 17.305 9.759 281 HG1 THR 32 HG1 THR 32 6.742 18.728 11.046 282 HG21 THR 32 HG21 THR 32 4.552 16.388 12.051 283 HG22 THR 32 HG22 THR 32 6.281 16.034 12.056 284 HG23 THR 32 HG23 THR 32 5.208 15.185 10.938 285 H VAL 33 H VAL 33 5.747 16.784 7.202 286 HA VAL 33 HA VAL 33 5.709 13.911 6.890 287 HB VAL 33 HB VAL 33 4.811 14.429 4.588 288 HG11 VAL 33 HG11 VAL 33 2.637 15.346 5.342 289 HG12 VAL 33 HG12 VAL 33 3.370 15.846 6.868 290 HG13 VAL 33 HG13 VAL 33 3.246 14.131 6.468 291 HG21 VAL 33 HG21 VAL 33 5.971 16.565 4.175 292 HG22 VAL 33 HG22 VAL 33 5.056 17.337 5.470 293 HG23 VAL 33 HG23 VAL 33 4.226 16.778 4.017 294 H TRP 34 H TRP 34 6.880 12.730 5.390 295 HA TRP 34 HA TRP 34 9.574 13.664 4.779 296 HB2 TRP 34 HB2 TRP 34 8.302 10.915 4.418 297 HB3 TRP 34 HB3 TRP 34 10.015 11.284 4.263 298 HD1 TRP 34 HD1 TRP 34 7.286 10.758 6.902 299 HE1 TRP 34 HE1 TRP 34 8.399 10.440 9.191 300 HE3 TRP 34 HE3 TRP 34 12.122 11.910 5.645 301 HZ2 TRP 34 HZ2 TRP 34 10.962 10.645 10.333 302 HZ3 TRP 34 HZ3 TRP 34 13.846 11.822 7.404 303 HH2 TRP 34 HH2 TRP 34 13.276 11.202 9.703 304 H LYS 35 H LYS 35 10.065 11.979 2.498 305 HA LYS 35 HA LYS 35 9.577 13.946 0.493 306 HB2 LYS 35 HB2 LYS 35 10.844 11.193 0.273 307 HB3 LYS 35 HB3 LYS 35 10.906 12.433 -0.978 308 HG2 LYS 35 HG2 LYS 35 12.182 13.904 0.536 309 HG3 LYS 35 HG3 LYS 35 12.112 12.670 1.799 310 HD2 LYS 35 HD2 LYS 35 14.288 12.614 0.661 311 HD3 LYS 35 HD3 LYS 35 13.402 11.118 0.360 312 HE2 LYS 35 HE2 LYS 35 14.506 11.921 -1.689 313 HE3 LYS 35 HE3 LYS 35 12.754 11.955 -1.876 314 HZ1 LYS 35 HZ1 LYS 35 14.395 14.314 -1.151 315 HZ2 LYS 35 HZ2 LYS 35 12.750 14.306 -1.544 316 HZ3 LYS 35 HZ3 LYS 35 13.909 13.948 -2.722 317 H GLU 36 H GLU 36 7.481 11.497 1.428 318 HA GLU 36 HA GLU 36 6.481 10.503 -1.041 319 HB2 GLU 36 HB2 GLU 36 5.172 10.838 1.681 320 HB3 GLU 36 HB3 GLU 36 4.310 10.140 0.320 321 HG2 GLU 36 HG2 GLU 36 5.180 8.421 1.837 322 HG3 GLU 36 HG3 GLU 36 5.851 8.280 0.214 323 H LEU 37 H LEU 37 5.950 13.506 0.692 324 HA LEU 37 HA LEU 37 3.563 14.320 -0.577 325 HB2 LEU 37 HB2 LEU 37 5.437 15.477 1.344 326 HB3 LEU 37 HB3 LEU 37 4.940 16.695 0.191 327 HG LEU 37 HG LEU 37 3.505 16.740 2.175 328 HD11 LEU 37 HD11 LEU 37 1.989 15.731 -0.252 329 HD12 LEU 37 HD12 LEU 37 2.534 17.393 0.020 330 HD13 LEU 37 HD13 LEU 37 1.329 16.677 1.088 331 HD21 LEU 37 HD21 LEU 37 2.715 13.892 1.470 332 HD22 LEU 37 HD22 LEU 37 2.019 14.888 2.753 333 HD23 LEU 37 HD23 LEU 37 3.705 14.388 2.846 334 H LYS 38 H LYS 38 3.265 14.750 -2.617 335 HA LYS 38 HA LYS 38 5.030 16.588 -4.040 336 HB2 LYS 38 HB2 LYS 38 5.224 15.239 -6.017 337 HB3 LYS 38 HB3 LYS 38 5.718 14.241 -4.669 338 HG2 LYS 38 HG2 LYS 38 4.455 12.693 -5.807 339 HG3 LYS 38 HG3 LYS 38 3.185 13.385 -4.798 340 HD2 LYS 38 HD2 LYS 38 2.420 13.141 -7.125 341 HD3 LYS 38 HD3 LYS 38 2.474 14.839 -6.670 342 HE2 LYS 38 HE2 LYS 38 4.601 15.106 -7.886 343 HE3 LYS 38 HE3 LYS 38 4.592 13.391 -8.303 344 HZ1 LYS 38 HZ1 LYS 38 3.802 14.831 -10.102 345 HZ2 LYS 38 HZ2 LYS 38 2.511 15.338 -9.136 346 HZ3 LYS 38 HZ3 LYS 38 2.626 13.719 -9.610 347 HA PRO 39 HA PRO 39 1.051 18.347 -5.163 348 HB2 PRO 39 HB2 PRO 39 1.662 19.618 -7.532 349 HB3 PRO 39 HB3 PRO 39 2.150 20.237 -5.948 350 HG2 PRO 39 HG2 PRO 39 3.753 18.655 -7.945 351 HG3 PRO 39 HG3 PRO 39 4.246 20.065 -6.984 352 HD2 PRO 39 HD2 PRO 39 4.925 17.515 -6.293 353 HD3 PRO 39 HD3 PRO 39 4.640 18.782 -5.072 354 H GLY 40 H GLY 40 -0.300 16.650 -5.570 355 HA2 GLY 40 HA2 GLY 40 -1.617 16.044 -7.749 356 HA3 GLY 40 HA3 GLY 40 -0.158 15.122 -8.088 357 H MET 41 H MET 41 -0.522 15.040 -4.787 358 HA MET 41 HA MET 41 -1.734 12.369 -4.827 359 HB2 MET 41 HB2 MET 41 -0.412 13.918 -2.560 360 HB3 MET 41 HB3 MET 41 -1.039 12.281 -2.422 361 HG2 MET 41 HG2 MET 41 0.609 11.767 -4.394 362 HG3 MET 41 HG3 MET 41 1.408 13.248 -3.861 363 HE1 MET 41 HE1 MET 41 1.933 13.549 -1.072 364 HE2 MET 41 HE2 MET 41 1.990 12.157 0.009 365 HE3 MET 41 HE3 MET 41 0.437 12.752 -0.575 366 H LYS 42 H LYS 42 -2.978 12.118 -2.422 367 HA LYS 42 HA LYS 42 -5.219 14.068 -2.439 368 HB2 LYS 42 HB2 LYS 42 -5.533 11.571 -0.813 369 HB3 LYS 42 HB3 LYS 42 -6.688 12.396 -1.844 370 HG2 LYS 42 HG2 LYS 42 -5.542 11.347 -3.826 371 HG3 LYS 42 HG3 LYS 42 -4.518 10.463 -2.692 372 HD2 LYS 42 HD2 LYS 42 -6.442 9.082 -3.495 373 HD3 LYS 42 HD3 LYS 42 -6.453 9.311 -1.743 374 HE2 LYS 42 HE2 LYS 42 -8.159 11.103 -2.000 375 HE3 LYS 42 HE3 LYS 42 -8.149 10.852 -3.744 376 HZ1 LYS 42 HZ1 LYS 42 -10.006 9.776 -2.594 377 HZ2 LYS 42 HZ2 LYS 42 -8.912 8.788 -1.758 378 HZ3 LYS 42 HZ3 LYS 42 -9.037 8.677 -3.438 379 H PHE 43 H PHE 43 -6.046 14.752 -0.348 380 HA PHE 43 HA PHE 43 -4.380 14.098 2.021 381 HB2 PHE 43 HB2 PHE 43 -3.874 16.427 1.083 382 HB3 PHE 43 HB3 PHE 43 -5.511 16.876 1.514 383 HD1 PHE 43 HD1 PHE 43 -6.157 16.555 4.067 384 HD2 PHE 43 HD2 PHE 43 -2.136 16.758 2.627 385 HE1 PHE 43 HE1 PHE 43 -5.385 17.212 6.302 386 HE2 PHE 43 HE2 PHE 43 -1.379 17.417 4.864 387 HZ PHE 43 HZ PHE 43 -2.997 17.648 6.700 388 H VAL 44 H VAL 44 -5.772 12.858 3.127 389 HA VAL 44 HA VAL 44 -8.641 13.405 3.058 390 HB VAL 44 HB VAL 44 -7.137 11.037 4.244 391 HG11 VAL 44 HG11 VAL 44 -10.124 11.415 3.781 392 HG12 VAL 44 HG12 VAL 44 -9.323 11.386 5.354 393 HG13 VAL 44 HG13 VAL 44 -9.351 9.933 4.353 394 HG21 VAL 44 HG21 VAL 44 -7.984 9.818 2.235 395 HG22 VAL 44 HG22 VAL 44 -6.896 11.134 1.798 396 HG23 VAL 44 HG23 VAL 44 -8.640 11.331 1.608 397 H PHE 45 H PHE 45 -9.577 14.543 4.567 398 HA PHE 45 HA PHE 45 -8.193 15.363 6.978 399 HB2 PHE 45 HB2 PHE 45 -10.978 16.085 5.949 400 HB3 PHE 45 HB3 PHE 45 -10.158 16.849 7.312 401 HD1 PHE 45 HD1 PHE 45 -8.015 18.138 6.896 402 HD2 PHE 45 HD2 PHE 45 -10.510 16.782 3.701 403 HE1 PHE 45 HE1 PHE 45 -6.893 19.681 5.355 404 HE2 PHE 45 HE2 PHE 45 -9.387 18.333 2.183 405 HZ PHE 45 HZ PHE 45 -7.576 19.776 2.995 406 H TYR 46 H TYR 46 -8.106 13.779 8.419 407 HA TYR 46 HA TYR 46 -10.348 12.180 9.300 408 HB2 TYR 46 HB2 TYR 46 -7.947 11.426 9.387 409 HB3 TYR 46 HB3 TYR 46 -7.590 12.710 10.522 410 HD1 TYR 46 HD1 TYR 46 -8.404 12.528 12.901 411 HD2 TYR 46 HD2 TYR 46 -8.983 9.355 10.107 412 HE1 TYR 46 HE1 TYR 46 -8.792 10.968 14.754 413 HE2 TYR 46 HE2 TYR 46 -9.373 7.801 11.953 414 HH TYR 46 HH TYR 46 -9.936 8.791 15.125 415 H GLN 47 H GLN 47 -11.917 13.046 10.645 416 HA GLN 47 HA GLN 47 -11.532 15.509 12.091 417 HB2 GLN 47 HB2 GLN 47 -13.780 14.789 11.260 418 HB3 GLN 47 HB3 GLN 47 -13.765 13.439 12.385 419 HG2 GLN 47 HG2 GLN 47 -15.156 15.315 13.188 420 HG3 GLN 47 HG3 GLN 47 -13.817 14.980 14.283 421 HE21 GLN 47 HE21 GLN 47 -12.175 16.536 14.538 422 HE22 GLN 47 HE22 GLN 47 -12.328 18.149 13.933 423 H SER 48 H SER 48 -10.389 15.647 13.901 424 HA SER 48 HA SER 48 -9.010 13.564 15.091 425 HB2 SER 48 HB2 SER 48 -8.500 15.358 16.901 426 HB3 SER 48 HB3 SER 48 -8.063 15.723 15.233 427 HG SER 48 HG SER 48 -9.272 17.411 15.420 428 H HIS 49 H HIS 49 -10.601 11.969 15.570 429 HA HIS 49 HA HIS 49 -10.822 11.421 18.247 430 HB2 HIS 49 HB2 HIS 49 -13.182 11.541 18.832 431 HB3 HIS 49 HB3 HIS 49 -12.686 13.141 18.311 432 HD1 HIS 49 HD1 HIS 49 -15.296 10.722 17.831 433 HD2 HIS 49 HD2 HIS 49 -13.499 13.627 15.467 434 HE1 HIS 49 HE1 HIS 49 -16.928 11.184 15.985 435 HE2 HIS 49 HE2 HIS 49 -15.906 13.080 14.690 436 H GLU 50 H GLU 50 -12.413 9.467 18.597 437 HA GLU 50 HA GLU 50 -11.717 7.446 16.665 438 HB2 GLU 50 HB2 GLU 50 -12.774 5.906 18.270 439 HB3 GLU 50 HB3 GLU 50 -11.722 7.039 19.119 440 HG2 GLU 50 HG2 GLU 50 -13.725 8.404 19.715 441 HG3 GLU 50 HG3 GLU 50 -14.750 7.199 18.935 442 H ASP 51 H ASP 51 -13.578 5.734 16.284 443 HA ASP 51 HA ASP 51 -15.381 5.030 15.191 444 HB2 ASP 51 HB2 ASP 51 -16.650 5.725 17.143 445 HB3 ASP 51 HB3 ASP 51 -16.736 7.385 16.558 446 H THR 52 H THR 52 -16.299 8.473 14.818 447 HA THR 52 HA THR 52 -17.245 8.206 12.218 448 HB THR 52 HB THR 52 -16.199 10.759 13.523 449 HG1 THR 52 HG1 THR 52 -18.421 9.162 14.006 450 HG21 THR 52 HG21 THR 52 -16.700 11.087 11.119 451 HG22 THR 52 HG22 THR 52 -17.891 11.919 12.126 452 HG23 THR 52 HG23 THR 52 -18.301 10.389 11.347 453 H GLY 53 H GLY 53 -14.056 9.157 13.343 454 HA2 GLY 53 HA2 GLY 53 -12.001 8.891 12.396 455 HA3 GLY 53 HA3 GLY 53 -12.771 8.000 11.099 456 H PHE 54 H PHE 54 -13.524 9.141 9.254 457 HA PHE 54 HA PHE 54 -11.866 11.522 8.699 458 HB2 PHE 54 HB2 PHE 54 -13.112 9.505 6.787 459 HB3 PHE 54 HB3 PHE 54 -12.048 10.831 6.332 460 HD1 PHE 54 HD1 PHE 54 -9.675 10.817 7.581 461 HD2 PHE 54 HD2 PHE 54 -12.138 7.371 7.023 462 HE1 PHE 54 HE1 PHE 54 -7.706 9.366 7.792 463 HE2 PHE 54 HE2 PHE 54 -10.159 5.932 7.237 464 HZ PHE 54 HZ PHE 54 -7.941 6.924 7.623 465 H VAL 55 H VAL 55 -12.828 13.424 8.430 466 HA VAL 55 HA VAL 55 -15.717 13.713 8.167 467 HB VAL 55 HB VAL 55 -14.704 15.204 9.735 468 HG11 VAL 55 HG11 VAL 55 -12.924 16.839 9.213 469 HG12 VAL 55 HG12 VAL 55 -12.818 16.190 7.574 470 HG13 VAL 55 HG13 VAL 55 -12.379 15.177 8.952 471 HG21 VAL 55 HG21 VAL 55 -15.344 17.443 8.968 472 HG22 VAL 55 HG22 VAL 55 -16.520 16.238 8.440 473 HG23 VAL 55 HG23 VAL 55 -15.345 16.879 7.293 474 H GLY 56 H GLY 56 -12.831 14.114 6.176 475 HA2 GLY 56 HA2 GLY 56 -14.338 14.059 3.731 476 HA3 GLY 56 HA3 GLY 56 -13.721 15.675 4.074 477 H GLU 57 H GLU 57 -12.689 15.118 1.940 478 HA GLU 57 HA GLU 57 -9.899 14.488 2.449 479 HB2 GLU 57 HB2 GLU 57 -9.606 13.034 0.526 480 HB3 GLU 57 HB3 GLU 57 -10.816 12.321 1.583 481 HG2 GLU 57 HG2 GLU 57 -12.584 12.792 0.096 482 HG3 GLU 57 HG3 GLU 57 -11.651 14.001 -0.785 483 H ALA 58 H ALA 58 -8.710 14.928 0.201 484 HA ALA 58 HA ALA 58 -9.876 16.885 -1.536 485 HB1 ALA 58 HB1 ALA 58 -7.798 17.806 0.475 486 HB2 ALA 58 HB2 ALA 58 -9.470 18.354 0.357 487 HB3 ALA 58 HB3 ALA 58 -8.325 18.741 -0.930 488 H ARG 59 H ARG 59 -7.706 18.059 -2.589 489 HA ARG 59 HA ARG 59 -5.973 15.854 -3.549 490 HB2 ARG 59 HB2 ARG 59 -7.276 18.127 -5.131 491 HB3 ARG 59 HB3 ARG 59 -6.128 16.961 -5.794 492 HG2 ARG 59 HG2 ARG 59 -8.781 16.152 -4.553 493 HG3 ARG 59 HG3 ARG 59 -8.587 16.504 -6.283 494 HD2 ARG 59 HD2 ARG 59 -7.183 14.317 -4.694 495 HD3 ARG 59 HD3 ARG 59 -8.456 14.092 -5.901 496 HE ARG 59 HE ARG 59 -6.691 15.303 -7.414 497 HH11 ARG 59 HH11 ARG 59 -6.056 12.744 -5.102 498 HH12 ARG 59 HH12 ARG 59 -4.609 12.230 -5.898 499 HH21 ARG 59 HH21 ARG 59 -4.818 14.619 -8.438 500 HH22 ARG 59 HH22 ARG 59 -3.903 13.296 -7.795 501 H ILE 60 H ILE 60 -3.951 16.279 -3.074 502 HA ILE 60 HA ILE 60 -2.910 18.800 -2.238 503 HB ILE 60 HB ILE 60 -1.701 16.065 -2.719 504 HG12 ILE 60 HG12 ILE 60 -1.740 17.740 -0.180 505 HG13 ILE 60 HG13 ILE 60 -3.040 16.642 -0.596 506 HG21 ILE 60 HG21 ILE 60 0.508 16.870 -1.902 507 HG22 ILE 60 HG22 ILE 60 -0.077 18.531 -2.007 508 HG23 ILE 60 HG23 ILE 60 0.074 17.557 -3.468 509 HD11 ILE 60 HD11 ILE 60 -0.161 15.876 -0.137 510 HD12 ILE 60 HD12 ILE 60 -1.483 14.767 -0.503 511 HD13 ILE 60 HD13 ILE 60 -1.486 15.680 1.005 512 H LYS 61 H LYS 61 -1.876 20.260 -3.305 513 HA LYS 61 HA LYS 61 -0.928 19.967 -6.065 514 HB2 LYS 61 HB2 LYS 61 -2.877 22.102 -5.057 515 HB3 LYS 61 HB3 LYS 61 -2.070 22.184 -6.610 516 HG2 LYS 61 HG2 LYS 61 -4.031 20.047 -5.745 517 HG3 LYS 61 HG3 LYS 61 -4.393 21.408 -6.806 518 HD2 LYS 61 HD2 LYS 61 -2.371 19.215 -7.429 519 HD3 LYS 61 HD3 LYS 61 -4.036 19.240 -8.012 520 HE2 LYS 61 HE2 LYS 61 -1.923 21.329 -8.627 521 HE3 LYS 61 HE3 LYS 61 -2.464 20.058 -9.726 522 HZ1 LYS 61 HZ1 LYS 61 -3.527 22.204 -10.162 523 HZ2 LYS 61 HZ2 LYS 61 -4.204 22.195 -8.615 524 HZ3 LYS 61 HZ3 LYS 61 -4.654 21.021 -9.740 525 H ARG 62 H ARG 62 -0.393 22.919 -6.158 526 HA ARG 62 HA ARG 62 2.272 22.630 -5.959 527 HB2 ARG 62 HB2 ARG 62 2.524 24.937 -6.386 528 HB3 ARG 62 HB3 ARG 62 0.941 24.542 -7.031 529 HG2 ARG 62 HG2 ARG 62 -0.061 25.497 -4.905 530 HG3 ARG 62 HG3 ARG 62 1.558 26.042 -4.465 531 HD2 ARG 62 HD2 ARG 62 0.531 27.932 -5.445 532 HD3 ARG 62 HD3 ARG 62 1.565 27.290 -6.724 533 HE ARG 62 HE ARG 62 -0.967 26.149 -7.003 534 HH11 ARG 62 HH11 ARG 62 0.536 29.290 -7.437 535 HH12 ARG 62 HH12 ARG 62 -0.733 29.881 -8.460 536 HH21 ARG 62 HH21 ARG 62 -2.626 26.944 -8.300 537 HH22 ARG 62 HH22 ARG 62 -2.521 28.549 -8.954 538 H VAL 63 H VAL 63 3.644 22.177 -4.382 539 HA VAL 63 HA VAL 63 3.128 23.082 -1.633 540 HB VAL 63 HB VAL 63 4.848 21.455 -0.907 541 HG11 VAL 63 HG11 VAL 63 2.707 20.223 -2.685 542 HG12 VAL 63 HG12 VAL 63 2.503 20.742 -1.009 543 HG13 VAL 63 HG13 VAL 63 3.571 19.390 -1.387 544 HG21 VAL 63 HG21 VAL 63 5.058 20.615 -3.842 545 HG22 VAL 63 HG22 VAL 63 5.801 19.771 -2.478 546 HG23 VAL 63 HG23 VAL 63 6.327 21.400 -2.899 547 H VAL 64 H VAL 64 3.869 25.043 -1.247 548 HA VAL 64 HA VAL 64 6.232 26.146 -2.580 549 HB VAL 64 HB VAL 64 4.265 27.455 -0.641 550 HG11 VAL 64 HG11 VAL 64 6.415 28.748 -2.368 551 HG12 VAL 64 HG12 VAL 64 6.427 28.625 -0.606 552 HG13 VAL 64 HG13 VAL 64 5.211 29.618 -1.411 553 HG21 VAL 64 HG21 VAL 64 3.145 26.794 -2.737 554 HG22 VAL 64 HG22 VAL 64 4.371 27.648 -3.679 555 HG23 VAL 64 HG23 VAL 64 3.278 28.552 -2.628 556 H LEU 65 H LEU 65 8.100 25.577 -1.668 557 HA LEU 65 HA LEU 65 8.369 25.022 1.186 558 HB2 LEU 65 HB2 LEU 65 10.506 24.882 -0.993 559 HB3 LEU 65 HB3 LEU 65 10.570 24.143 0.603 560 HG LEU 65 HG LEU 65 8.702 23.314 -1.667 561 HD11 LEU 65 HD11 LEU 65 10.049 21.265 -1.806 562 HD12 LEU 65 HD12 LEU 65 11.158 21.893 -0.582 563 HD13 LEU 65 HD13 LEU 65 11.017 22.698 -2.147 564 HD21 LEU 65 HD21 LEU 65 9.063 22.055 1.076 565 HD22 LEU 65 HD22 LEU 65 8.090 21.395 -0.243 566 HD23 LEU 65 HD23 LEU 65 7.640 22.926 0.499 567 H SER 66 H SER 66 8.948 26.622 2.541 568 HA SER 66 HA SER 66 11.008 28.562 1.852 569 HB2 SER 66 HB2 SER 66 8.933 29.717 1.144 570 HB3 SER 66 HB3 SER 66 8.215 29.459 2.736 571 HG SER 66 HG SER 66 10.165 31.257 1.918 572 H GLU 67 H GLU 67 12.239 29.028 3.580 573 HA GLU 67 HA GLU 67 11.889 27.748 6.119 574 HB2 GLU 67 HB2 GLU 67 13.863 29.717 4.964 575 HB3 GLU 67 HB3 GLU 67 13.943 29.300 6.671 576 HG2 GLU 67 HG2 GLU 67 14.612 27.112 6.248 577 HG3 GLU 67 HG3 GLU 67 13.953 27.095 4.619 578 H ASN 68 H ASN 68 10.619 30.647 4.850 579 HA ASN 68 HA ASN 68 9.967 31.674 7.549 580 HB2 ASN 68 HB2 ASN 68 9.776 33.124 4.871 581 HB3 ASN 68 HB3 ASN 68 9.352 33.808 6.432 582 HD21 ASN 68 HD21 ASN 68 11.355 34.678 4.468 583 HD22 ASN 68 HD22 ASN 68 12.852 34.749 5.325 584 HA PRO 69 HA PRO 69 5.873 29.909 6.606 585 HB2 PRO 69 HB2 PRO 69 4.590 30.866 8.863 586 HB3 PRO 69 HB3 PRO 69 5.617 29.427 8.860 587 HG2 PRO 69 HG2 PRO 69 6.322 32.246 9.662 588 HG3 PRO 69 HG3 PRO 69 6.691 30.722 10.501 589 HD2 PRO 69 HD2 PRO 69 8.542 31.956 8.984 590 HD3 PRO 69 HD3 PRO 69 8.433 30.181 9.028 591 H MET 70 H MET 70 6.763 33.248 6.979 592 HA MET 70 HA MET 70 4.140 34.432 6.927 593 HB2 MET 70 HB2 MET 70 6.904 35.629 6.540 594 HB3 MET 70 HB3 MET 70 5.429 36.578 6.682 595 HG2 MET 70 HG2 MET 70 5.112 35.909 8.957 596 HG3 MET 70 HG3 MET 70 6.364 34.670 8.840 597 HE1 MET 70 HE1 MET 70 8.952 35.170 8.702 598 HE2 MET 70 HE2 MET 70 9.642 36.793 8.639 599 HE3 MET 70 HE3 MET 70 8.708 36.179 7.274 600 H GLN 71 H GLN 71 6.485 33.498 4.543 601 HA GLN 71 HA GLN 71 5.749 34.882 2.263 602 HB2 GLN 71 HB2 GLN 71 6.729 32.031 2.641 603 HB3 GLN 71 HB3 GLN 71 6.493 32.716 1.040 604 HG2 GLN 71 HG2 GLN 71 8.326 33.970 3.100 605 HG3 GLN 71 HG3 GLN 71 8.860 32.741 1.955 606 HE21 GLN 71 HE21 GLN 71 10.328 34.157 0.993 607 HE22 GLN 71 HE22 GLN 71 9.830 35.442 -0.048 608 H PHE 72 H PHE 72 4.129 32.186 3.806 609 HA PHE 72 HA PHE 72 2.394 31.559 1.585 610 HB2 PHE 72 HB2 PHE 72 2.014 30.703 4.482 611 HB3 PHE 72 HB3 PHE 72 1.469 29.870 3.027 612 HD1 PHE 72 HD1 PHE 72 4.038 29.963 1.400 613 HD2 PHE 72 HD2 PHE 72 3.345 29.055 5.526 614 HE1 PHE 72 HE1 PHE 72 6.073 28.584 1.446 615 HE2 PHE 72 HE2 PHE 72 5.366 27.681 5.543 616 HZ PHE 72 HZ PHE 72 6.737 27.439 3.517 617 H PHE 73 H PHE 73 2.225 33.544 4.484 618 HA PHE 73 HA PHE 73 -0.656 33.918 4.411 619 HB2 PHE 73 HB2 PHE 73 1.484 35.256 6.123 620 HB3 PHE 73 HB3 PHE 73 -0.256 35.394 6.374 621 HD1 PHE 73 HD1 PHE 73 -1.577 33.257 6.923 622 HD2 PHE 73 HD2 PHE 73 2.679 33.420 7.053 623 HE1 PHE 73 HE1 PHE 73 -1.520 31.220 8.288 624 HE2 PHE 73 HE2 PHE 73 2.713 31.377 8.405 625 HZ PHE 73 HZ PHE 73 0.614 30.270 9.019 626 H GLU 74 H GLU 74 2.102 35.502 3.019 627 HA GLU 74 HA GLU 74 0.536 37.890 2.322 628 HB2 GLU 74 HB2 GLU 74 2.602 38.760 1.344 629 HB3 GLU 74 HB3 GLU 74 2.874 38.210 2.991 630 HG2 GLU 74 HG2 GLU 74 3.862 36.113 2.081 631 HG3 GLU 74 HG3 GLU 74 3.669 36.758 0.448 632 H THR 75 H THR 75 1.744 34.919 0.815 633 HA THR 75 HA THR 75 1.125 35.726 -1.884 634 HB THR 75 HB THR 75 1.830 32.982 -0.751 635 HG1 THR 75 HG1 THR 75 3.427 34.744 -0.697 636 HG21 THR 75 HG21 THR 75 2.344 32.320 -3.092 637 HG22 THR 75 HG22 THR 75 1.704 33.861 -3.670 638 HG23 THR 75 HG23 THR 75 0.630 32.692 -2.894 639 H PHE 76 H PHE 76 -0.287 33.402 0.422 640 HA PHE 76 HA PHE 76 -2.720 33.116 -1.224 641 HB2 PHE 76 HB2 PHE 76 -1.812 31.475 1.180 642 HB3 PHE 76 HB3 PHE 76 -3.178 31.115 0.145 643 HD1 PHE 76 HD1 PHE 76 -2.645 30.738 -2.399 644 HD2 PHE 76 HD2 PHE 76 0.260 30.447 0.728 645 HE1 PHE 76 HE1 PHE 76 -1.226 29.340 -3.841 646 HE2 PHE 76 HE2 PHE 76 1.677 29.055 -0.720 647 HZ PHE 76 HZ PHE 76 0.935 28.497 -3.006 648 H GLY 77 H GLY 77 -1.768 33.519 2.211 649 HA2 GLY 77 HA2 GLY 77 -2.612 34.734 3.950 650 HA3 GLY 77 HA3 GLY 77 -3.499 35.699 2.780 651 H ASP 78 H ASP 78 -5.601 35.065 2.173 652 HA ASP 78 HA ASP 78 -7.302 33.965 4.118 653 HB2 ASP 78 HB2 ASP 78 -8.247 35.419 2.428 654 HB3 ASP 78 HB3 ASP 78 -7.672 34.384 1.124 655 H ARG 79 H ARG 79 -5.776 32.495 1.257 656 HA ARG 79 HA ARG 79 -7.233 30.049 1.386 657 HB2 ARG 79 HB2 ARG 79 -4.613 30.634 -0.037 658 HB3 ARG 79 HB3 ARG 79 -5.569 29.178 -0.262 659 HG2 ARG 79 HG2 ARG 79 -6.379 32.006 -0.982 660 HG3 ARG 79 HG3 ARG 79 -5.939 30.712 -2.103 661 HD2 ARG 79 HD2 ARG 79 -7.920 29.397 -1.175 662 HD3 ARG 79 HD3 ARG 79 -8.405 30.875 -0.330 663 HE ARG 79 HE ARG 79 -8.120 30.693 -3.268 664 HH11 ARG 79 HH11 ARG 79 -9.932 31.893 -0.496 665 HH12 ARG 79 HH12 ARG 79 -11.185 32.575 -1.483 666 HH21 ARG 79 HH21 ARG 79 -9.745 31.597 -4.517 667 HH22 ARG 79 HH22 ARG 79 -11.082 32.391 -3.753 668 H VAL 80 H VAL 80 -4.415 31.123 3.181 669 HA VAL 80 HA VAL 80 -3.607 28.414 3.900 670 HB VAL 80 HB VAL 80 -2.867 31.038 5.273 671 HG11 VAL 80 HG11 VAL 80 -0.945 29.772 6.177 672 HG12 VAL 80 HG12 VAL 80 -1.567 28.298 5.431 673 HG13 VAL 80 HG13 VAL 80 -2.485 29.093 6.714 674 HG21 VAL 80 HG21 VAL 80 -2.162 31.110 2.926 675 HG22 VAL 80 HG22 VAL 80 -1.358 29.547 3.096 676 HG23 VAL 80 HG23 VAL 80 -0.755 30.951 3.982 677 H PHE 81 H PHE 81 -4.355 27.246 5.658 678 HA PHE 81 HA PHE 81 -6.960 27.649 6.447 679 HB2 PHE 81 HB2 PHE 81 -6.744 25.774 7.971 680 HB3 PHE 81 HB3 PHE 81 -5.899 25.451 6.475 681 HD1 PHE 81 HD1 PHE 81 -5.462 26.052 10.104 682 HD2 PHE 81 HD2 PHE 81 -3.492 25.060 6.452 683 HE1 PHE 81 HE1 PHE 81 -3.522 25.259 11.376 684 HE2 PHE 81 HE2 PHE 81 -1.547 24.279 7.733 685 HZ PHE 81 HZ PHE 81 -1.554 24.378 10.187 686 H LEU 82 H LEU 82 -4.091 28.564 8.223 687 HA LEU 82 HA LEU 82 -5.779 30.142 10.075 688 HB2 LEU 82 HB2 LEU 82 -4.120 29.999 11.736 689 HB3 LEU 82 HB3 LEU 82 -4.227 28.380 11.095 690 HG LEU 82 HG LEU 82 -1.996 30.371 10.492 691 HD11 LEU 82 HD11 LEU 82 -1.929 29.587 12.805 692 HD12 LEU 82 HD12 LEU 82 -0.581 28.932 11.880 693 HD13 LEU 82 HD13 LEU 82 -1.967 27.905 12.261 694 HD21 LEU 82 HD21 LEU 82 -0.809 28.501 9.441 695 HD22 LEU 82 HD22 LEU 82 -2.318 28.851 8.604 696 HD23 LEU 82 HD23 LEU 82 -2.214 27.457 9.679 697 H THR 83 H THR 83 -4.955 32.354 10.539 698 HA THR 83 HA THR 83 -3.495 33.515 8.240 699 HB THR 83 HB THR 83 -5.627 34.637 8.764 700 HG1 THR 83 HG1 THR 83 -4.624 36.809 9.161 701 HG21 THR 83 HG21 THR 83 -5.889 35.975 10.830 702 HG22 THR 83 HG22 THR 83 -4.390 35.286 11.462 703 HG23 THR 83 HG23 THR 83 -5.790 34.248 11.175 704 H LYS 84 H LYS 84 -2.067 35.490 8.996 705 HA LYS 84 HA LYS 84 0.210 34.356 10.190 706 HB2 LYS 84 HB2 LYS 84 0.136 36.247 8.511 707 HB3 LYS 84 HB3 LYS 84 -0.353 37.317 9.820 708 HG2 LYS 84 HG2 LYS 84 1.793 36.809 10.990 709 HG3 LYS 84 HG3 LYS 84 2.275 35.807 9.622 710 HD2 LYS 84 HD2 LYS 84 1.730 38.804 9.566 711 HD3 LYS 84 HD3 LYS 84 3.316 38.034 9.474 712 HE2 LYS 84 HE2 LYS 84 2.785 37.085 7.295 713 HE3 LYS 84 HE3 LYS 84 1.117 37.650 7.408 714 HZ1 LYS 84 HZ1 LYS 84 2.462 39.072 6.003 715 HZ2 LYS 84 HZ2 LYS 84 3.514 39.391 7.282 716 HZ3 LYS 84 HZ3 LYS 84 1.910 39.920 7.359 717 H ASP 85 H ASP 85 -2.405 36.250 11.545 718 HA ASP 85 HA ASP 85 -1.329 36.830 14.100 719 HB2 ASP 85 HB2 ASP 85 -4.247 36.202 13.564 720 HB3 ASP 85 HB3 ASP 85 -3.582 37.136 14.892 721 H GLU 86 H GLU 86 -3.405 34.164 12.976 722 HA GLU 86 HA GLU 86 -3.461 32.691 15.374 723 HB2 GLU 86 HB2 GLU 86 -3.724 31.542 12.578 724 HB3 GLU 86 HB3 GLU 86 -4.352 30.844 14.069 725 HG2 GLU 86 HG2 GLU 86 -5.299 33.381 12.709 726 HG3 GLU 86 HG3 GLU 86 -6.134 31.836 12.719 727 H LEU 87 H LEU 87 -1.133 32.805 12.752 728 HA LEU 87 HA LEU 87 0.447 30.532 13.324 729 HB2 LEU 87 HB2 LEU 87 0.746 31.670 11.211 730 HB3 LEU 87 HB3 LEU 87 1.094 33.192 12.008 731 HG LEU 87 HG LEU 87 3.216 32.057 12.948 732 HD11 LEU 87 HD11 LEU 87 2.616 30.008 10.804 733 HD12 LEU 87 HD12 LEU 87 2.628 29.737 12.551 734 HD13 LEU 87 HD13 LEU 87 4.122 30.154 11.718 735 HD21 LEU 87 HD21 LEU 87 3.119 32.483 9.951 736 HD22 LEU 87 HD22 LEU 87 4.545 32.544 10.984 737 HD23 LEU 87 HD23 LEU 87 3.282 33.756 11.164 738 H LYS 88 H LYS 88 0.958 33.989 14.240 739 HA LYS 88 HA LYS 88 3.355 33.487 15.626 740 HB2 LYS 88 HB2 LYS 88 3.034 35.837 16.633 741 HB3 LYS 88 HB3 LYS 88 3.181 35.695 14.896 742 HG2 LYS 88 HG2 LYS 88 1.513 37.300 15.205 743 HG3 LYS 88 HG3 LYS 88 0.633 35.828 14.818 744 HD2 LYS 88 HD2 LYS 88 -0.168 35.560 17.004 745 HD3 LYS 88 HD3 LYS 88 1.079 36.598 17.711 746 HE2 LYS 88 HE2 LYS 88 0.047 38.545 16.802 747 HE3 LYS 88 HE3 LYS 88 -1.100 37.594 15.860 748 HZ1 LYS 88 HZ1 LYS 88 -2.107 38.502 17.869 749 HZ2 LYS 88 HZ2 LYS 88 -0.989 37.669 18.828 750 HZ3 LYS 88 HZ3 LYS 88 -2.105 36.810 17.890 751 H GLU 89 H GLU 89 0.035 33.637 16.826 752 HA GLU 89 HA GLU 89 0.804 33.342 19.611 753 HB2 GLU 89 HB2 GLU 89 -1.636 33.229 20.039 754 HB3 GLU 89 HB3 GLU 89 -1.183 34.617 19.056 755 HG2 GLU 89 HG2 GLU 89 -1.876 33.246 17.019 756 HG3 GLU 89 HG3 GLU 89 -2.571 32.082 18.150 757 H TYR 90 H TYR 90 -0.021 31.167 16.981 758 HA TYR 90 HA TYR 90 -0.391 28.780 18.503 759 HB2 TYR 90 HB2 TYR 90 -1.097 28.799 16.187 760 HB3 TYR 90 HB3 TYR 90 0.504 29.263 15.631 761 HD1 TYR 90 HD1 TYR 90 -1.237 26.435 17.427 762 HD2 TYR 90 HD2 TYR 90 1.922 27.592 14.782 763 HE1 TYR 90 HE1 TYR 90 -0.688 24.068 17.047 764 HE2 TYR 90 HE2 TYR 90 2.479 25.223 14.408 765 HH TYR 90 HH TYR 90 0.430 22.650 15.451 766 H MET 91 H MET 91 2.462 30.307 17.006 767 HA MET 91 HA MET 91 4.341 28.290 17.727 768 HB2 MET 91 HB2 MET 91 4.775 31.208 16.963 769 HB3 MET 91 HB3 MET 91 6.073 30.037 17.162 770 HG2 MET 91 HG2 MET 91 5.057 28.678 15.320 771 HG3 MET 91 HG3 MET 91 3.880 29.967 15.071 772 HE1 MET 91 HE1 MET 91 4.605 32.477 14.335 773 HE2 MET 91 HE2 MET 91 6.262 32.926 13.927 774 HE3 MET 91 HE3 MET 91 5.831 32.575 15.602 775 H LYS 92 H LYS 92 3.337 31.363 19.247 776 HA LYS 92 HA LYS 92 5.114 31.294 21.461 777 HB2 LYS 92 HB2 LYS 92 2.351 32.567 21.318 778 HB3 LYS 92 HB3 LYS 92 3.500 32.818 22.622 779 HG2 LYS 92 HG2 LYS 92 3.676 33.789 19.766 780 HG3 LYS 92 HG3 LYS 92 3.560 34.745 21.233 781 HD2 LYS 92 HD2 LYS 92 5.816 35.022 20.942 782 HD3 LYS 92 HD3 LYS 92 5.935 33.435 21.702 783 HE2 LYS 92 HE2 LYS 92 5.993 32.381 19.451 784 HE3 LYS 92 HE3 LYS 92 5.884 33.978 18.706 785 HZ1 LYS 92 HZ1 LYS 92 8.148 33.193 18.766 786 HZ2 LYS 92 HZ2 LYS 92 8.089 33.013 20.443 787 HZ3 LYS 92 HZ3 LYS 92 7.987 34.555 19.753 788 H SER 93 H SER 93 1.906 29.904 20.918 789 HA SER 93 HA SER 93 1.381 28.922 23.508 790 HB2 SER 93 HB2 SER 93 -0.326 29.074 21.685 791 HB3 SER 93 HB3 SER 93 0.465 27.740 20.849 792 HG SER 93 HG SER 93 -0.812 27.688 23.382 793 H GLN 94 H GLN 94 3.058 27.435 20.722 794 HA GLN 94 HA GLN 94 3.455 24.883 21.875 795 HB2 GLN 94 HB2 GLN 94 5.073 26.275 19.700 796 HB3 GLN 94 HB3 GLN 94 5.182 24.563 20.096 797 HG2 GLN 94 HG2 GLN 94 2.771 26.004 18.940 798 HG3 GLN 94 HG3 GLN 94 3.831 24.883 18.096 799 HE21 GLN 94 HE21 GLN 94 1.229 25.182 20.412 800 HE22 GLN 94 HE22 GLN 94 0.803 23.510 20.457 801 H GLU 95 H GLU 95 5.455 27.841 21.900 802 HA GLU 95 HA GLU 95 7.646 26.480 23.278 803 HB2 GLU 95 HB2 GLU 95 8.903 28.549 22.954 804 HB3 GLU 95 HB3 GLU 95 8.148 28.045 21.445 805 HG2 GLU 95 HG2 GLU 95 6.316 29.714 21.886 806 HG3 GLU 95 HG3 GLU 95 7.240 30.288 23.274 807 H ARG 96 H ARG 96 4.797 27.977 24.379 808 HA ARG 96 HA ARG 96 6.071 28.741 26.944 809 HB2 ARG 96 HB2 ARG 96 3.984 29.779 27.591 810 HB3 ARG 96 HB3 ARG 96 4.403 30.332 25.975 811 HG2 ARG 96 HG2 ARG 96 2.750 28.777 25.012 812 HG3 ARG 96 HG3 ARG 96 2.332 28.210 26.628 813 HD2 ARG 96 HD2 ARG 96 0.669 29.813 25.834 814 HD3 ARG 96 HD3 ARG 96 1.539 30.483 27.214 815 HE ARG 96 HE ARG 96 1.865 31.280 24.382 816 HH11 ARG 96 HH11 ARG 96 2.409 31.990 27.781 817 HH12 ARG 96 HH12 ARG 96 2.838 33.645 27.493 818 HH21 ARG 96 HH21 ARG 96 2.414 33.475 24.017 819 HH22 ARG 96 HH22 ARG 96 2.842 34.488 25.355 820 H TRP 97 H TRP 97 3.916 26.333 25.519 821 HA TRP 97 HA TRP 97 3.386 25.091 28.123 822 HB2 TRP 97 HB2 TRP 97 2.339 24.425 25.335 823 HB3 TRP 97 HB3 TRP 97 1.892 23.550 26.799 824 HD1 TRP 97 HD1 TRP 97 0.510 26.133 24.671 825 HE1 TRP 97 HE1 TRP 97 -1.186 27.616 25.902 826 HE3 TRP 97 HE3 TRP 97 1.608 24.819 29.513 827 HZ2 TRP 97 HZ2 TRP 97 -1.973 28.156 28.548 828 HZ3 TRP 97 HZ3 TRP 97 0.319 25.868 31.332 829 HH2 TRP 97 HH2 TRP 97 -1.436 27.504 30.859 830 H GLY 98 H GLY 98 5.538 24.671 25.411 831 HA2 GLY 98 HA2 GLY 98 7.483 23.241 26.502 832 HA3 GLY 98 HA3 GLY 98 6.313 21.953 26.253 833 H ARG 99 H ARG 99 8.655 24.005 24.774 834 HA ARG 99 HA ARG 99 7.936 23.595 22.029 835 HB2 ARG 99 HB2 ARG 99 9.291 25.546 22.935 836 HB3 ARG 99 HB3 ARG 99 10.642 24.444 23.147 837 HG2 ARG 99 HG2 ARG 99 10.942 25.717 21.108 838 HG3 ARG 99 HG3 ARG 99 10.658 24.025 20.686 839 HD2 ARG 99 HD2 ARG 99 8.348 24.520 20.085 840 HD3 ARG 99 HD3 ARG 99 8.509 26.184 20.654 841 HE ARG 99 HE ARG 99 9.817 25.035 18.256 842 HH11 ARG 99 HH11 ARG 99 8.672 27.861 20.011 843 HH12 ARG 99 HH12 ARG 99 9.045 28.961 18.731 844 HH21 ARG 99 HH21 ARG 99 10.283 26.488 16.575 845 HH22 ARG 99 HH22 ARG 99 9.955 28.177 16.779 846 H ARG 100 H ARG 100 10.186 22.100 24.286 847 HA ARG 100 HA ARG 100 11.229 20.137 24.447 848 HB2 ARG 100 HB2 ARG 100 9.121 19.049 23.929 849 HB3 ARG 100 HB3 ARG 100 9.358 19.310 22.204 850 HG2 ARG 100 HG2 ARG 100 11.291 17.757 22.238 851 HG3 ARG 100 HG3 ARG 100 11.036 17.486 23.963 852 HD2 ARG 100 HD2 ARG 100 8.995 16.844 21.808 853 HD3 ARG 100 HD3 ARG 100 10.132 15.676 22.490 854 HE ARG 100 HE ARG 100 8.323 17.104 24.314 855 HH11 ARG 100 HH11 ARG 100 9.091 14.083 22.687 856 HH12 ARG 100 HH12 ARG 100 8.152 13.123 23.786 857 HH21 ARG 100 HH21 ARG 100 7.089 15.835 25.722 858 HH22 ARG 100 HH22 ARG 100 7.012 14.116 25.500 859 H ARG 101 H ARG 101 10.847 20.062 20.889 860 HA ARG 101 HA ARG 101 13.687 19.480 20.600 861 HB2 ARG 101 HB2 ARG 101 11.871 18.219 19.338 862 HB3 ARG 101 HB3 ARG 101 11.551 19.688 18.430 863 HG2 ARG 101 HG2 ARG 101 12.936 18.236 17.085 864 HG3 ARG 101 HG3 ARG 101 13.901 19.633 17.568 865 HD2 ARG 101 HD2 ARG 101 15.018 18.304 19.296 866 HD3 ARG 101 HD3 ARG 101 13.982 16.917 18.941 867 HE ARG 101 HE ARG 101 15.347 17.690 16.596 868 HH11 ARG 101 HH11 ARG 101 16.104 16.193 19.690 869 HH12 ARG 101 HH12 ARG 101 17.383 15.225 19.035 870 HH21 ARG 101 HH21 ARG 101 17.019 16.432 15.764 871 HH22 ARG 101 HH22 ARG 101 17.911 15.369 16.806 872 H GLU 102 H GLU 102 14.949 21.216 20.707 873 HA GLU 102 HA GLU 102 14.177 23.881 20.022 874 HB2 GLU 102 HB2 GLU 102 16.953 22.757 20.616 875 HB3 GLU 102 HB3 GLU 102 16.495 24.461 20.631 876 HG2 GLU 102 HG2 GLU 102 15.006 24.074 22.538 877 HG3 GLU 102 HG3 GLU 102 15.367 22.347 22.498 878 H SER 103 H SER 103 13.554 23.765 17.829 879 HA SER 103 HA SER 103 15.387 23.085 15.721 880 HB2 SER 103 HB2 SER 103 12.844 24.768 15.571 881 HB3 SER 103 HB3 SER 103 13.689 24.030 14.209 882 HG SER 103 HG SER 103 13.155 22.150 16.043 883 H LYS 104 H LYS 104 17.255 24.213 16.245 884 HA LYS 104 HA LYS 104 17.361 26.967 16.947 885 HB2 LYS 104 HB2 LYS 104 19.044 25.105 17.547 886 HB3 LYS 104 HB3 LYS 104 19.689 25.280 15.923 887 HG2 LYS 104 HG2 LYS 104 21.085 26.513 17.463 888 HG3 LYS 104 HG3 LYS 104 20.225 27.673 16.440 889 HD2 LYS 104 HD2 LYS 104 18.597 28.084 18.260 890 HD3 LYS 104 HD3 LYS 104 19.402 26.879 19.269 891 HE2 LYS 104 HE2 LYS 104 20.065 29.113 19.969 892 HE3 LYS 104 HE3 LYS 104 21.453 28.283 19.271 893 HZ1 LYS 104 HZ1 LYS 104 21.326 30.551 18.505 894 HZ2 LYS 104 HZ2 LYS 104 19.767 30.307 17.905 895 HZ3 LYS 104 HZ3 LYS 104 21.073 29.497 17.211 896 H LYS 105 H LYS 105 18.488 28.647 15.723 897 HA LYS 105 HA LYS 105 18.696 30.065 14.052 898 HB2 LYS 105 HB2 LYS 105 20.331 28.421 13.268 899 HB3 LYS 105 HB3 LYS 105 19.076 27.561 12.387 900 HG2 LYS 105 HG2 LYS 105 18.794 29.384 10.865 901 HG3 LYS 105 HG3 LYS 105 19.855 30.416 11.808 902 HD2 LYS 105 HD2 LYS 105 20.711 27.838 10.477 903 HD3 LYS 105 HD3 LYS 105 20.921 29.430 9.747 904 HE2 LYS 105 HE2 LYS 105 22.377 30.069 11.687 905 HE3 LYS 105 HE3 LYS 105 22.200 28.433 12.323 906 HZ1 LYS 105 HZ1 LYS 105 23.439 29.171 9.728 907 HZ2 LYS 105 HZ2 LYS 105 23.249 27.597 10.310 908 HZ3 LYS 105 HZ3 LYS 105 24.255 28.678 11.127 909 H LYS 106 H LYS 106 17.134 27.809 11.800 910 HA LYS 106 HA LYS 106 14.489 29.042 12.285 911 HB2 LYS 106 HB2 LYS 106 14.043 29.542 9.993 912 HB3 LYS 106 HB3 LYS 106 15.625 30.225 10.322 913 HG2 LYS 106 HG2 LYS 106 15.330 27.505 9.017 914 HG3 LYS 106 HG3 LYS 106 15.227 28.986 8.068 915 HD2 LYS 106 HD2 LYS 106 17.604 28.244 9.811 916 HD3 LYS 106 HD3 LYS 106 17.492 27.887 8.082 917 HE2 LYS 106 HE2 LYS 106 17.454 30.659 9.338 918 HE3 LYS 106 HE3 LYS 106 18.802 29.922 8.470 919 HZ1 LYS 106 HZ1 LYS 106 17.589 31.433 7.050 920 HZ2 LYS 106 HZ2 LYS 106 16.152 30.576 7.300 921 HZ3 LYS 106 HZ3 LYS 106 17.440 29.853 6.478 922 H LYS 107 H LYS 107 12.932 27.858 10.495 923 HA LYS 107 HA LYS 107 13.468 24.959 10.381 924 HB2 LYS 107 HB2 LYS 107 11.896 25.449 12.300 925 HB3 LYS 107 HB3 LYS 107 10.797 26.228 11.172 926 HG2 LYS 107 HG2 LYS 107 9.969 24.014 11.615 927 HG3 LYS 107 HG3 LYS 107 10.564 24.059 9.951 928 HD2 LYS 107 HD2 LYS 107 12.810 23.135 11.051 929 HD3 LYS 107 HD3 LYS 107 11.733 22.662 12.369 930 HE2 LYS 107 HE2 LYS 107 10.344 21.417 10.671 931 HE3 LYS 107 HE3 LYS 107 11.574 21.804 9.466 932 HZ1 LYS 107 HZ1 LYS 107 11.895 19.608 10.359 933 HZ2 LYS 107 HZ2 LYS 107 11.973 20.209 11.933 934 HZ3 LYS 107 HZ3 LYS 107 13.187 20.597 10.816 935 H LEU 108 H LEU 108 12.741 24.007 8.519 936 HA LEU 108 HA LEU 108 11.940 25.671 6.279 937 HB2 LEU 108 HB2 LEU 108 13.522 23.623 6.160 938 HB3 LEU 108 HB3 LEU 108 12.104 22.621 6.339 939 HG LEU 108 HG LEU 108 12.954 22.792 3.983 940 HD11 LEU 108 HD11 LEU 108 10.603 22.206 4.361 941 HD12 LEU 108 HD12 LEU 108 10.844 23.080 2.849 942 HD13 LEU 108 HD13 LEU 108 10.164 23.915 4.250 943 HD21 LEU 108 HD21 LEU 108 12.623 24.830 2.672 944 HD22 LEU 108 HD22 LEU 108 13.746 25.096 4.001 945 HD23 LEU 108 HD23 LEU 108 12.087 25.693 4.119 946 H TRP 109 H TRP 109 9.877 26.192 5.952 947 HA TRP 109 HA TRP 109 7.667 24.458 6.890 948 HB2 TRP 109 HB2 TRP 109 7.726 27.427 6.181 949 HB3 TRP 109 HB3 TRP 109 6.253 26.536 6.538 950 HD1 TRP 109 HD1 TRP 109 9.612 27.308 8.366 951 HE1 TRP 109 HE1 TRP 109 9.081 27.712 10.844 952 HE3 TRP 109 HE3 TRP 109 4.577 26.408 8.272 953 HZ2 TRP 109 HZ2 TRP 109 6.838 27.659 12.549 954 HZ3 TRP 109 HZ3 TRP 109 3.305 26.608 10.376 955 HH2 TRP 109 HH2 TRP 109 4.414 27.223 12.473 956 H MET 110 H MET 110 5.831 24.265 5.412 957 HA MET 110 HA MET 110 6.346 24.655 2.556 958 HB2 MET 110 HB2 MET 110 5.666 22.189 2.162 959 HB3 MET 110 HB3 MET 110 7.287 22.487 2.767 960 HG2 MET 110 HG2 MET 110 6.629 21.850 5.014 961 HG3 MET 110 HG3 MET 110 4.951 21.666 4.507 962 HE1 MET 110 HE1 MET 110 4.025 19.699 3.145 963 HE2 MET 110 HE2 MET 110 5.006 18.468 2.340 964 HE3 MET 110 HE3 MET 110 5.053 20.140 1.774 965 H ALA 111 H ALA 111 4.564 25.196 1.495 966 HA ALA 111 HA ALA 111 1.958 25.134 2.880 967 HB1 ALA 111 HB1 ALA 111 2.746 27.352 2.264 968 HB2 ALA 111 HB2 ALA 111 1.341 26.937 1.283 969 HB3 ALA 111 HB3 ALA 111 2.966 26.857 0.585 970 H ILE 112 H ILE 112 1.043 23.233 2.324 971 HA ILE 112 HA ILE 112 1.156 22.124 -0.366 972 HB ILE 112 HB ILE 112 -0.557 21.202 1.989 973 HG12 ILE 112 HG12 ILE 112 2.226 20.168 1.285 974 HG13 ILE 112 HG13 ILE 112 1.873 21.254 2.627 975 HG21 ILE 112 HG21 ILE 112 0.372 19.693 -0.476 976 HG22 ILE 112 HG22 ILE 112 -1.261 20.295 -0.180 977 HG23 ILE 112 HG23 ILE 112 -0.595 19.022 0.842 978 HD11 ILE 112 HD11 ILE 112 0.834 18.430 2.316 979 HD12 ILE 112 HD12 ILE 112 0.469 19.521 3.658 980 HD13 ILE 112 HD13 ILE 112 2.122 18.967 3.396 981 H GLU 113 H GLU 113 -0.250 22.868 -1.936 982 HA GLU 113 HA GLU 113 -2.564 24.474 -1.159 983 HB2 GLU 113 HB2 GLU 113 -1.276 25.248 -3.065 984 HB3 GLU 113 HB3 GLU 113 -1.448 23.699 -3.885 985 HG2 GLU 113 HG2 GLU 113 -3.871 24.085 -4.117 986 HG3 GLU 113 HG3 GLU 113 -3.715 25.629 -3.275 987 H LEU 114 H LEU 114 -4.339 23.418 -0.538 988 HA LEU 114 HA LEU 114 -5.106 20.866 -1.735 989 HB2 LEU 114 HB2 LEU 114 -6.027 22.416 0.703 990 HB3 LEU 114 HB3 LEU 114 -7.079 21.185 0.019 991 HG LEU 114 HG LEU 114 -5.827 20.184 1.826 992 HD11 LEU 114 HD11 LEU 114 -4.831 19.268 -0.882 993 HD12 LEU 114 HD12 LEU 114 -6.278 18.740 -0.022 994 HD13 LEU 114 HD13 LEU 114 -4.696 18.356 0.616 995 HD21 LEU 114 HD21 LEU 114 -3.282 21.037 0.409 996 HD22 LEU 114 HD22 LEU 114 -3.370 19.969 1.813 997 HD23 LEU 114 HD23 LEU 114 -3.882 21.655 1.953 998 H GLU 115 H GLU 115 -6.674 20.616 -3.180 999 HA GLU 115 HA GLU 115 -8.780 22.644 -3.511 1000 HB2 GLU 115 HB2 GLU 115 -8.639 22.624 -5.914 1001 HB3 GLU 115 HB3 GLU 115 -7.018 22.980 -5.308 1002 HG2 GLU 115 HG2 GLU 115 -6.230 20.788 -5.826 1003 HG3 GLU 115 HG3 GLU 115 -7.862 20.188 -6.127 1004 H ASP 116 H ASP 116 -10.625 21.744 -4.773 1005 HA ASP 116 HA ASP 116 -12.317 20.266 -5.036 1006 HB2 ASP 116 HB2 ASP 116 -10.707 19.486 -6.808 1007 HB3 ASP 116 HB3 ASP 116 -10.060 18.310 -5.667 1008 H VAL 117 H VAL 117 -11.855 20.704 -2.487 1009 HA VAL 117 HA VAL 117 -11.304 18.418 -0.898 1010 HB VAL 117 HB VAL 117 -12.730 20.982 -0.071 1011 HG11 VAL 117 HG11 VAL 117 -12.030 20.381 2.227 1012 HG12 VAL 117 HG12 VAL 117 -11.357 18.863 1.625 1013 HG13 VAL 117 HG13 VAL 117 -13.096 19.155 1.535 1014 HG21 VAL 117 HG21 VAL 117 -9.763 20.306 0.126 1015 HG22 VAL 117 HG22 VAL 117 -10.533 21.781 0.710 1016 HG23 VAL 117 HG23 VAL 117 -10.476 21.442 -1.022 1017 H LYS 118 H LYS 118 -12.552 16.701 -0.928 1018 HA LYS 118 HA LYS 118 -15.399 16.861 -1.571 1019 HB2 LYS 118 HB2 LYS 118 -13.523 15.220 -2.587 1020 HB3 LYS 118 HB3 LYS 118 -13.937 14.238 -1.196 1021 HG2 LYS 118 HG2 LYS 118 -15.249 13.466 -3.058 1022 HG3 LYS 118 HG3 LYS 118 -16.340 14.288 -1.933 1023 HD2 LYS 118 HD2 LYS 118 -16.815 14.904 -4.296 1024 HD3 LYS 118 HD3 LYS 118 -16.325 16.306 -3.336 1025 HE2 LYS 118 HE2 LYS 118 -14.013 16.082 -4.259 1026 HE3 LYS 118 HE3 LYS 118 -14.557 14.735 -5.259 1027 HZ1 LYS 118 HZ1 LYS 118 -15.570 17.514 -5.407 1028 HZ2 LYS 118 HZ2 LYS 118 -16.050 16.228 -6.392 1029 HZ3 LYS 118 HZ3 LYS 118 -14.465 16.808 -6.471 1030 H LYS 119 H LYS 119 -16.617 17.216 0.190 1031 HA LYS 119 HA LYS 119 -16.031 16.304 2.831 1032 HB2 LYS 119 HB2 LYS 119 -18.153 17.888 1.542 1033 HB3 LYS 119 HB3 LYS 119 -18.838 16.797 2.726 1034 HG2 LYS 119 HG2 LYS 119 -16.670 18.848 3.273 1035 HG3 LYS 119 HG3 LYS 119 -18.381 19.024 3.666 1036 HD2 LYS 119 HD2 LYS 119 -16.428 17.007 4.860 1037 HD3 LYS 119 HD3 LYS 119 -17.122 18.411 5.670 1038 HE2 LYS 119 HE2 LYS 119 -19.417 17.305 5.312 1039 HE3 LYS 119 HE3 LYS 119 -18.525 15.862 4.833 1040 HZ1 LYS 119 HZ1 LYS 119 -17.505 15.776 6.975 1041 HZ2 LYS 119 HZ2 LYS 119 -19.182 15.816 7.149 1042 HZ3 LYS 119 HZ3 LYS 119 -18.271 17.206 7.448 1043 H TYR 120 H TYR 120 -16.217 14.245 3.560 1044 HA TYR 120 HA TYR 120 -17.736 12.212 2.225 1045 HB2 TYR 120 HB2 TYR 120 -16.518 12.254 5.018 1046 HB3 TYR 120 HB3 TYR 120 -17.275 10.842 4.289 1047 HD1 TYR 120 HD1 TYR 120 -16.000 11.479 1.415 1048 HD2 TYR 120 HD2 TYR 120 -14.423 11.070 5.370 1049 HE1 TYR 120 HE1 TYR 120 -13.841 10.752 0.490 1050 HE2 TYR 120 HE2 TYR 120 -12.275 10.357 4.437 1051 HH TYR 120 HH TYR 120 -11.498 10.644 1.143 1052 H ASP 121 H ASP 121 -19.841 12.860 2.042 1053 HA ASP 121 HA ASP 121 -21.502 13.890 4.086 1054 HB2 ASP 121 HB2 ASP 121 -22.229 12.317 1.574 1055 HB3 ASP 121 HB3 ASP 121 -23.395 13.165 2.582 1056 H LYS 122 H LYS 122 -20.699 10.618 3.076 1057 HA LYS 122 HA LYS 122 -22.183 9.360 5.247 1058 HB2 LYS 122 HB2 LYS 122 -21.170 7.258 4.397 1059 HB3 LYS 122 HB3 LYS 122 -21.979 8.159 3.122 1060 HG2 LYS 122 HG2 LYS 122 -19.792 8.973 2.292 1061 HG3 LYS 122 HG3 LYS 122 -18.976 8.090 3.582 1062 HD2 LYS 122 HD2 LYS 122 -18.822 6.824 1.505 1063 HD3 LYS 122 HD3 LYS 122 -19.840 5.953 2.654 1064 HE2 LYS 122 HE2 LYS 122 -21.864 6.778 1.483 1065 HE3 LYS 122 HE3 LYS 122 -20.847 7.661 0.340 1066 HZ1 LYS 122 HZ1 LYS 122 -19.935 5.584 -0.421 1067 HZ2 LYS 122 HZ2 LYS 122 -21.621 5.542 -0.537 1068 HZ3 LYS 122 HZ3 LYS 122 -20.838 4.720 0.714 1069 HA PRO 123 HA PRO 123 -18.620 9.789 8.055 1070 HB2 PRO 123 HB2 PRO 123 -19.433 8.149 10.074 1071 HB3 PRO 123 HB3 PRO 123 -20.168 9.733 9.792 1072 HG2 PRO 123 HG2 PRO 123 -21.169 7.009 8.970 1073 HG3 PRO 123 HG3 PRO 123 -22.075 8.359 9.686 1074 HD2 PRO 123 HD2 PRO 123 -22.087 7.821 6.998 1075 HD3 PRO 123 HD3 PRO 123 -22.285 9.463 7.651 1076 H ILE 124 H ILE 124 -16.847 8.887 7.085 1077 HA ILE 124 HA ILE 124 -16.703 6.000 6.608 1078 HB ILE 124 HB ILE 124 -14.839 8.241 5.726 1079 HG12 ILE 124 HG12 ILE 124 -16.895 6.511 4.277 1080 HG13 ILE 124 HG13 ILE 124 -16.922 8.260 4.477 1081 HG21 ILE 124 HG21 ILE 124 -13.609 6.539 4.397 1082 HG22 ILE 124 HG22 ILE 124 -14.584 5.262 5.126 1083 HG23 ILE 124 HG23 ILE 124 -13.488 6.215 6.127 1084 HD11 ILE 124 HD11 ILE 124 -16.357 7.657 2.216 1085 HD12 ILE 124 HD12 ILE 124 -15.007 6.672 2.777 1086 HD13 ILE 124 HD13 ILE 124 -14.969 8.426 2.988 1087 H LYS 125 H LYS 125 -16.150 4.846 8.218 1088 HA LYS 125 HA LYS 125 -14.555 5.661 10.455 1089 HB2 LYS 125 HB2 LYS 125 -15.849 3.017 9.660 1090 HB3 LYS 125 HB3 LYS 125 -14.796 3.128 11.063 1091 HG2 LYS 125 HG2 LYS 125 -17.064 3.255 11.832 1092 HG3 LYS 125 HG3 LYS 125 -16.330 4.839 12.040 1093 HD2 LYS 125 HD2 LYS 125 -17.465 5.232 9.612 1094 HD3 LYS 125 HD3 LYS 125 -18.542 3.971 10.210 1095 HE2 LYS 125 HE2 LYS 125 -17.967 6.627 11.563 1096 HE3 LYS 125 HE3 LYS 125 -19.435 6.202 10.689 1097 HZ1 LYS 125 HZ1 LYS 125 -19.670 6.052 13.111 1098 HZ2 LYS 125 HZ2 LYS 125 -18.493 4.841 13.156 1099 HZ3 LYS 125 HZ3 LYS 125 -19.951 4.571 12.348 1100 HA PRO 126 HA PRO 126 -10.668 4.366 8.639 1101 HB2 PRO 126 HB2 PRO 126 -9.013 4.890 10.681 1102 HB3 PRO 126 HB3 PRO 126 -9.921 6.193 9.902 1103 HG2 PRO 126 HG2 PRO 126 -10.452 4.817 12.521 1104 HG3 PRO 126 HG3 PRO 126 -10.622 6.533 12.094 1105 HD2 PRO 126 HD2 PRO 126 -12.717 4.644 12.147 1106 HD3 PRO 126 HD3 PRO 126 -12.775 6.233 11.359 1107 H LYS 127 H LYS 127 -8.843 2.856 8.994 1108 HA LYS 127 HA LYS 127 -9.632 0.353 10.295 1109 HB2 LYS 127 HB2 LYS 127 -7.252 1.054 8.519 1110 HB3 LYS 127 HB3 LYS 127 -7.405 -0.500 9.323 1111 HG2 LYS 127 HG2 LYS 127 -8.136 -0.830 7.088 1112 HG3 LYS 127 HG3 LYS 127 -9.587 -0.841 8.094 1113 HD2 LYS 127 HD2 LYS 127 -10.062 1.504 7.421 1114 HD3 LYS 127 HD3 LYS 127 -8.605 1.515 6.424 1115 HE2 LYS 127 HE2 LYS 127 -9.568 -0.300 5.028 1116 HE3 LYS 127 HE3 LYS 127 -11.031 -0.276 6.017 1117 HZ1 LYS 127 HZ1 LYS 127 -11.393 2.018 5.321 1118 HZ2 LYS 127 HZ2 LYS 127 -11.317 0.977 3.992 1119 HZ3 LYS 127 HZ3 LYS 127 -10.001 1.965 4.364 1120 H ARG 128 H ARG 128 -7.504 3.068 10.785 1121 HA ARG 128 HA ARG 128 -6.777 2.101 13.461 1122 HB2 ARG 128 HB2 ARG 128 -4.402 2.604 13.178 1123 HB3 ARG 128 HB3 ARG 128 -4.886 1.438 11.948 1124 HG2 ARG 128 HG2 ARG 128 -4.974 3.238 10.256 1125 HG3 ARG 128 HG3 ARG 128 -4.527 4.430 11.487 1126 HD2 ARG 128 HD2 ARG 128 -2.788 2.069 10.678 1127 HD3 ARG 128 HD3 ARG 128 -2.630 3.699 10.018 1128 HE ARG 128 HE ARG 128 -2.167 4.451 12.337 1129 HH11 ARG 128 HH11 ARG 128 -1.604 1.064 11.617 1130 HH12 ARG 128 HH12 ARG 128 -0.305 0.924 12.753 1131 HH21 ARG 128 HH21 ARG 128 -0.451 4.259 13.788 1132 HH22 ARG 128 HH22 ARG 128 0.360 2.737 13.957 1133 H LEU 129 H LEU 129 -5.796 3.803 14.747 1134 HA LEU 129 HA LEU 129 -7.170 6.308 14.587 1135 HB2 LEU 129 HB2 LEU 129 -6.271 4.881 16.675 1136 HB3 LEU 129 HB3 LEU 129 -4.806 5.801 16.425 1137 HG LEU 129 HG LEU 129 -6.194 6.748 18.219 1138 HD11 LEU 129 HD11 LEU 129 -4.786 8.304 16.982 1139 HD12 LEU 129 HD12 LEU 129 -6.251 9.079 17.575 1140 HD13 LEU 129 HD13 LEU 129 -6.115 8.641 15.868 1141 HD21 LEU 129 HD21 LEU 129 -8.387 7.745 17.792 1142 HD22 LEU 129 HD22 LEU 129 -8.390 6.022 17.419 1143 HD23 LEU 129 HD23 LEU 129 -8.320 7.204 16.110 1144 H VAL 130 H VAL 130 -6.426 8.177 13.680 1145 HA VAL 130 HA VAL 130 -3.656 8.318 12.654 1146 HB VAL 130 HB VAL 130 -6.038 10.109 11.988 1147 HG11 VAL 130 HG11 VAL 130 -3.899 11.325 11.758 1148 HG12 VAL 130 HG12 VAL 130 -4.623 11.034 10.177 1149 HG13 VAL 130 HG13 VAL 130 -3.265 10.044 10.720 1150 HG21 VAL 130 HG21 VAL 130 -4.755 7.901 10.325 1151 HG22 VAL 130 HG22 VAL 130 -6.047 8.978 9.781 1152 HG23 VAL 130 HG23 VAL 130 -6.347 7.834 11.091 1153 HA PRO 131 HA PRO 131 -3.193 10.877 16.508 1154 HB2 PRO 131 HB2 PRO 131 -0.451 10.750 16.594 1155 HB3 PRO 131 HB3 PRO 131 -1.484 9.430 17.165 1156 HG2 PRO 131 HG2 PRO 131 -0.136 9.736 14.472 1157 HG3 PRO 131 HG3 PRO 131 -0.139 8.328 15.557 1158 HD2 PRO 131 HD2 PRO 131 -1.816 8.436 13.459 1159 HD3 PRO 131 HD3 PRO 131 -2.357 7.745 15.011 1160 H VAL 132 H VAL 132 -1.637 12.839 16.929 1161 HA VAL 132 HA VAL 132 -2.334 14.862 15.142 1162 HB VAL 132 HB VAL 132 -0.792 16.339 16.456 1163 HG11 VAL 132 HG11 VAL 132 -1.999 16.141 18.608 1164 HG12 VAL 132 HG12 VAL 132 -2.577 14.542 18.138 1165 HG13 VAL 132 HG13 VAL 132 -3.097 15.969 17.235 1166 HG21 VAL 132 HG21 VAL 132 1.035 14.733 16.910 1167 HG22 VAL 132 HG22 VAL 132 -0.040 13.787 17.942 1168 HG23 VAL 132 HG23 VAL 132 0.426 15.422 18.419 1169 H GLY 133 H GLY 133 0.608 12.930 15.233 1170 HA2 GLY 133 HA2 GLY 133 2.213 14.487 13.462 1171 HA3 GLY 133 HA3 GLY 133 2.437 12.790 13.853 1172 H GLY 134 H GLY 134 -0.388 12.272 12.927 1173 HA2 GLY 134 HA2 GLY 134 -1.672 12.033 11.029 1174 HA3 GLY 134 HA3 GLY 134 -0.440 12.841 10.076 1175 H GLN 135 H GLN 135 -1.794 10.510 9.250 1176 HA GLN 135 HA GLN 135 0.344 8.441 9.225 1177 HB2 GLN 135 HB2 GLN 135 -2.668 8.090 8.796 1178 HB3 GLN 135 HB3 GLN 135 -1.478 6.814 8.577 1179 HG2 GLN 135 HG2 GLN 135 -2.168 8.197 11.185 1180 HG3 GLN 135 HG3 GLN 135 -2.641 6.567 10.702 1181 HE21 GLN 135 HE21 GLN 135 -0.072 8.565 11.895 1182 HE22 GLN 135 HE22 GLN 135 1.036 7.294 12.268 1183 H TYR 136 H TYR 136 0.816 7.467 7.197 1184 HA TYR 136 HA TYR 136 0.158 9.037 4.815 1185 HB2 TYR 136 HB2 TYR 136 2.146 6.821 5.386 1186 HB3 TYR 136 HB3 TYR 136 1.668 7.131 3.720 1187 HD1 TYR 136 HD1 TYR 136 1.595 9.862 3.230 1188 HD2 TYR 136 HD2 TYR 136 4.217 7.848 5.951 1189 HE1 TYR 136 HE1 TYR 136 3.212 11.693 3.030 1190 HE2 TYR 136 HE2 TYR 136 5.835 9.688 5.738 1191 HH TYR 136 HH TYR 136 6.367 11.414 3.930 1192 H LEU 137 H LEU 137 -1.514 8.558 3.566 1193 HA LEU 137 HA LEU 137 -2.811 5.933 3.697 1194 HB2 LEU 137 HB2 LEU 137 -3.941 8.403 3.474 1195 HB3 LEU 137 HB3 LEU 137 -3.761 8.045 1.767 1196 HG LEU 137 HG LEU 137 -5.391 6.469 3.807 1197 HD11 LEU 137 HD11 LEU 137 -6.462 8.523 3.082 1198 HD12 LEU 137 HD12 LEU 137 -7.322 7.123 2.448 1199 HD13 LEU 137 HD13 LEU 137 -6.266 8.064 1.387 1200 HD21 LEU 137 HD21 LEU 137 -4.397 4.853 2.252 1201 HD22 LEU 137 HD22 LEU 137 -4.991 5.780 0.874 1202 HD23 LEU 137 HD23 LEU 137 -6.131 4.998 1.971 1203 H ARG 138 H ARG 138 -2.010 4.413 2.407 1204 HA ARG 138 HA ARG 138 -1.001 5.134 -0.268 1205 HB2 ARG 138 HB2 ARG 138 0.838 3.609 -0.136 1206 HB3 ARG 138 HB3 ARG 138 0.932 4.647 1.271 1207 HG2 ARG 138 HG2 ARG 138 -0.097 1.789 1.279 1208 HG3 ARG 138 HG3 ARG 138 1.550 2.277 1.696 1209 HD2 ARG 138 HD2 ARG 138 0.606 3.678 3.563 1210 HD3 ARG 138 HD3 ARG 138 -0.991 3.013 3.189 1211 HE ARG 138 HE ARG 138 1.236 1.191 3.842 1212 HH11 ARG 138 HH11 ARG 138 -1.920 2.487 4.725 1213 HH12 ARG 138 HH12 ARG 138 -2.130 1.381 6.040 1214 HH21 ARG 138 HH21 ARG 138 0.924 -0.261 5.555 1215 HH22 ARG 138 HH22 ARG 138 -0.530 -0.190 6.498 1216 H GLU 139 H GLU 139 -1.615 3.775 -1.927 1217 HA GLU 139 HA GLU 139 -3.941 2.157 -1.426 1218 HB2 GLU 139 HB2 GLU 139 -3.331 3.558 -3.535 1219 HB3 GLU 139 HB3 GLU 139 -2.373 2.180 -4.030 1220 HG2 GLU 139 HG2 GLU 139 -5.344 2.071 -3.443 1221 HG3 GLU 139 HG3 GLU 139 -4.678 2.358 -5.044 Start of MODEL 6 1 H MET 1 H MET 1 -0.780 0.769 -0.425 2 HA MET 1 HA MET 1 1.223 -1.151 0.597 3 HB2 MET 1 HB2 MET 1 -0.438 -1.999 -1.151 4 HB3 MET 1 HB3 MET 1 0.233 -0.807 -2.252 5 HG2 MET 1 HG2 MET 1 1.163 -3.088 -2.607 6 HG3 MET 1 HG3 MET 1 2.411 -1.909 -2.174 7 HE1 MET 1 HE1 MET 1 3.082 -4.993 -1.931 8 HE2 MET 1 HE2 MET 1 3.809 -5.064 -0.324 9 HE3 MET 1 HE3 MET 1 4.189 -3.724 -1.408 10 H SER 2 H SER 2 3.289 -0.917 -0.686 11 HA SER 2 HA SER 2 4.671 1.245 0.052 12 HB2 SER 2 HB2 SER 2 5.233 -0.425 -2.430 13 HB3 SER 2 HB3 SER 2 6.428 0.515 -1.534 14 HG SER 2 HG SER 2 6.660 -1.269 -0.454 15 H LYS 3 H LYS 3 2.805 1.168 -2.926 16 HA LYS 3 HA LYS 3 4.056 3.206 -4.416 17 HB2 LYS 3 HB2 LYS 3 1.906 3.310 -5.694 18 HB3 LYS 3 HB3 LYS 3 2.550 1.685 -5.516 19 HG2 LYS 3 HG2 LYS 3 0.886 1.064 -3.928 20 HG3 LYS 3 HG3 LYS 3 0.391 2.738 -3.656 21 HD2 LYS 3 HD2 LYS 3 0.052 1.292 -6.321 22 HD3 LYS 3 HD3 LYS 3 -1.198 1.350 -5.075 23 HE2 LYS 3 HE2 LYS 3 -1.288 3.800 -5.243 24 HE3 LYS 3 HE3 LYS 3 0.018 3.791 -6.427 25 HZ1 LYS 3 HZ1 LYS 3 -2.620 2.497 -6.820 26 HZ2 LYS 3 HZ2 LYS 3 -1.390 2.659 -7.974 27 HZ3 LYS 3 HZ3 LYS 3 -2.201 4.027 -7.397 28 H ILE 4 H ILE 4 2.218 3.623 -1.556 29 HA ILE 4 HA ILE 4 1.292 5.352 -0.433 30 HB ILE 4 HB ILE 4 2.633 7.215 -2.462 31 HG12 ILE 4 HG12 ILE 4 4.298 5.684 -1.422 32 HG13 ILE 4 HG13 ILE 4 4.553 7.343 -0.900 33 HG21 ILE 4 HG21 ILE 4 1.728 7.835 0.389 34 HG22 ILE 4 HG22 ILE 4 1.017 8.474 -1.095 35 HG23 ILE 4 HG23 ILE 4 2.657 8.927 -0.648 36 HD11 ILE 4 HD11 ILE 4 3.236 5.154 0.704 37 HD12 ILE 4 HD12 ILE 4 3.463 6.821 1.241 38 HD13 ILE 4 HD13 ILE 4 4.861 5.797 0.924 39 H VAL 5 H VAL 5 -0.380 7.358 -0.877 40 HA VAL 5 HA VAL 5 -1.296 7.707 -3.590 41 HB VAL 5 HB VAL 5 -3.811 7.756 -2.844 42 HG11 VAL 5 HG11 VAL 5 -2.566 5.015 -3.239 43 HG12 VAL 5 HG12 VAL 5 -2.936 6.165 -4.530 44 HG13 VAL 5 HG13 VAL 5 -4.243 5.480 -3.561 45 HG21 VAL 5 HG21 VAL 5 -2.779 5.815 -0.748 46 HG22 VAL 5 HG22 VAL 5 -4.479 6.120 -1.120 47 HG23 VAL 5 HG23 VAL 5 -3.480 7.407 -0.439 48 H GLY 6 H GLY 6 -1.647 8.473 -0.145 49 HA2 GLY 6 HA2 GLY 6 -1.074 11.249 -0.561 50 HA3 GLY 6 HA3 GLY 6 -2.766 10.953 -0.167 51 H VAL 7 H VAL 7 -2.241 12.313 1.673 52 HA VAL 7 HA VAL 7 -1.283 10.699 3.972 53 HB VAL 7 HB VAL 7 0.302 12.571 3.381 54 HG11 VAL 7 HG11 VAL 7 -1.979 14.442 4.118 55 HG12 VAL 7 HG12 VAL 7 -1.306 14.214 2.502 56 HG13 VAL 7 HG13 VAL 7 -0.314 14.924 3.776 57 HG21 VAL 7 HG21 VAL 7 0.576 13.483 5.673 58 HG22 VAL 7 HG22 VAL 7 0.242 11.750 5.704 59 HG23 VAL 7 HG23 VAL 7 -1.036 12.901 6.098 60 H THR 8 H THR 8 -2.441 11.132 5.978 61 HA THR 8 HA THR 8 -5.045 12.491 5.717 62 HB THR 8 HB THR 8 -5.541 10.117 5.621 63 HG1 THR 8 HG1 THR 8 -7.007 11.321 6.845 64 HG21 THR 8 HG21 THR 8 -4.963 8.535 7.431 65 HG22 THR 8 HG22 THR 8 -4.016 9.790 8.234 66 HG23 THR 8 HG23 THR 8 -3.516 9.181 6.654 67 H TYR 9 H TYR 9 -5.713 13.675 7.465 68 HA TYR 9 HA TYR 9 -4.005 13.869 9.847 69 HB2 TYR 9 HB2 TYR 9 -4.216 15.965 7.710 70 HB3 TYR 9 HB3 TYR 9 -4.382 16.572 9.348 71 HD1 TYR 9 HD1 TYR 9 -2.515 16.221 11.002 72 HD2 TYR 9 HD2 TYR 9 -2.019 15.356 6.844 73 HE1 TYR 9 HE1 TYR 9 -0.079 16.294 11.279 74 HE2 TYR 9 HE2 TYR 9 0.425 15.426 7.126 75 HH TYR 9 HH TYR 9 1.938 15.291 10.090 76 HA PRO 10 HA PRO 10 -8.023 14.841 11.790 77 HB2 PRO 10 HB2 PRO 10 -7.112 15.506 14.271 78 HB3 PRO 10 HB3 PRO 10 -7.146 13.830 13.712 79 HG2 PRO 10 HG2 PRO 10 -4.820 15.761 13.737 80 HG3 PRO 10 HG3 PRO 10 -4.869 14.077 14.302 81 HD2 PRO 10 HD2 PRO 10 -3.882 14.740 11.866 82 HD3 PRO 10 HD3 PRO 10 -4.752 13.213 12.139 83 H ILE 11 H ILE 11 -5.411 16.899 11.118 84 HA ILE 11 HA ILE 11 -4.991 19.067 10.881 85 HB ILE 11 HB ILE 11 -7.982 19.523 11.298 86 HG12 ILE 11 HG12 ILE 11 -7.489 18.082 9.336 87 HG13 ILE 11 HG13 ILE 11 -8.125 19.643 8.831 88 HG21 ILE 11 HG21 ILE 11 -7.664 21.722 10.207 89 HG22 ILE 11 HG22 ILE 11 -5.919 21.453 10.156 90 HG23 ILE 11 HG23 ILE 11 -6.741 21.614 11.710 91 HD11 ILE 11 HD11 ILE 11 -5.222 18.807 8.755 92 HD12 ILE 11 HD12 ILE 11 -5.862 20.368 8.232 93 HD13 ILE 11 HD13 ILE 11 -6.328 18.895 7.385 94 HA PRO 12 HA PRO 12 -4.041 19.729 15.216 95 HB2 PRO 12 HB2 PRO 12 -2.411 21.929 15.039 96 HB3 PRO 12 HB3 PRO 12 -1.908 20.315 14.509 97 HG2 PRO 12 HG2 PRO 12 -3.015 22.593 12.847 98 HG3 PRO 12 HG3 PRO 12 -1.585 21.583 12.535 99 HD2 PRO 12 HD2 PRO 12 -3.937 21.078 11.310 100 HD3 PRO 12 HD3 PRO 12 -2.868 19.753 11.821 101 H LYS 13 H LYS 13 -5.964 21.880 13.440 102 HA LYS 13 HA LYS 13 -7.009 23.158 15.889 103 HB2 LYS 13 HB2 LYS 13 -6.317 24.565 13.262 104 HB3 LYS 13 HB3 LYS 13 -7.400 25.267 14.465 105 HG2 LYS 13 HG2 LYS 13 -5.595 25.301 16.125 106 HG3 LYS 13 HG3 LYS 13 -4.497 24.515 14.983 107 HD2 LYS 13 HD2 LYS 13 -4.574 26.478 13.514 108 HD3 LYS 13 HD3 LYS 13 -5.770 27.254 14.561 109 HE2 LYS 13 HE2 LYS 13 -2.927 26.537 15.386 110 HE3 LYS 13 HE3 LYS 13 -3.473 28.146 14.914 111 HZ1 LYS 13 HZ1 LYS 13 -5.040 28.057 16.805 112 HZ2 LYS 13 HZ2 LYS 13 -3.423 27.994 17.280 113 HZ3 LYS 13 HZ3 LYS 13 -4.363 26.587 17.281 114 H ARG 14 H ARG 14 -9.231 24.162 15.390 115 HA ARG 14 HA ARG 14 -10.959 22.139 14.272 116 HB2 ARG 14 HB2 ARG 14 -11.297 23.681 16.358 117 HB3 ARG 14 HB3 ARG 14 -11.812 24.907 15.220 118 HG2 ARG 14 HG2 ARG 14 -13.181 22.201 15.380 119 HG3 ARG 14 HG3 ARG 14 -13.591 23.514 16.480 120 HD2 ARG 14 HD2 ARG 14 -13.877 23.520 13.462 121 HD3 ARG 14 HD3 ARG 14 -15.180 23.460 14.650 122 HE ARG 14 HE ARG 14 -14.167 25.753 15.360 123 HH11 ARG 14 HH11 ARG 14 -14.410 24.612 12.043 124 HH12 ARG 14 HH12 ARG 14 -14.553 26.213 11.390 125 HH21 ARG 14 HH21 ARG 14 -14.332 27.834 14.485 126 HH22 ARG 14 HH22 ARG 14 -14.511 28.037 12.775 127 H PHE 15 H PHE 15 -9.214 24.584 12.850 128 HA PHE 15 HA PHE 15 -11.053 25.571 10.881 129 HB2 PHE 15 HB2 PHE 15 -8.018 25.737 11.087 130 HB3 PHE 15 HB3 PHE 15 -8.989 26.622 9.915 131 HD1 PHE 15 HD1 PHE 15 -11.085 27.940 11.108 132 HD2 PHE 15 HD2 PHE 15 -7.338 27.012 12.950 133 HE1 PHE 15 HE1 PHE 15 -11.420 29.767 12.721 134 HE2 PHE 15 HE2 PHE 15 -7.681 28.832 14.562 135 HZ PHE 15 HZ PHE 15 -9.723 30.215 14.454 136 H MET 16 H MET 16 -10.413 22.516 11.001 137 HA MET 16 HA MET 16 -9.664 21.663 8.437 138 HB2 MET 16 HB2 MET 16 -11.088 19.681 8.871 139 HB3 MET 16 HB3 MET 16 -10.145 20.095 10.298 140 HG2 MET 16 HG2 MET 16 -12.113 21.120 11.338 141 HG3 MET 16 HG3 MET 16 -13.068 20.797 9.890 142 HE1 MET 16 HE1 MET 16 -14.964 19.595 11.245 143 HE2 MET 16 HE2 MET 16 -14.103 19.931 12.750 144 HE3 MET 16 HE3 MET 16 -14.675 18.298 12.408 145 H ASP 17 H ASP 17 -12.578 23.191 9.640 146 HA ASP 17 HA ASP 17 -14.330 22.730 7.472 147 HB2 ASP 17 HB2 ASP 17 -14.314 24.943 9.557 148 HB3 ASP 17 HB3 ASP 17 -15.630 24.695 8.413 149 H ARG 18 H ARG 18 -11.717 25.002 7.806 150 HA ARG 18 HA ARG 18 -12.406 27.024 5.972 151 HB2 ARG 18 HB2 ARG 18 -9.690 25.815 6.642 152 HB3 ARG 18 HB3 ARG 18 -9.887 27.254 5.638 153 HG2 ARG 18 HG2 ARG 18 -10.758 26.992 8.535 154 HG3 ARG 18 HG3 ARG 18 -9.292 27.789 7.963 155 HD2 ARG 18 HD2 ARG 18 -10.802 29.328 6.604 156 HD3 ARG 18 HD3 ARG 18 -12.165 28.639 7.504 157 HE ARG 18 HE ARG 18 -10.072 29.593 9.222 158 HH11 ARG 18 HH11 ARG 18 -12.874 30.686 7.398 159 HH12 ARG 18 HH12 ARG 18 -13.085 32.112 8.353 160 HH21 ARG 18 HH21 ARG 18 -10.335 31.463 10.440 161 HH22 ARG 18 HH22 ARG 18 -11.626 32.561 10.091 162 H PHE 19 H PHE 19 -10.865 23.892 5.453 163 HA PHE 19 HA PHE 19 -10.326 24.147 2.689 164 HB2 PHE 19 HB2 PHE 19 -10.829 21.612 4.313 165 HB3 PHE 19 HB3 PHE 19 -10.048 21.675 2.740 166 HD1 PHE 19 HD1 PHE 19 -9.628 22.614 6.330 167 HD2 PHE 19 HD2 PHE 19 -7.694 22.087 2.557 168 HE1 PHE 19 HE1 PHE 19 -7.440 22.733 7.432 169 HE2 PHE 19 HE2 PHE 19 -5.508 22.219 3.665 170 HZ PHE 19 HZ PHE 19 -5.377 22.541 6.103 171 H PHE 20 H PHE 20 -13.209 23.205 4.470 172 HA PHE 20 HA PHE 20 -14.666 22.219 2.114 173 HB2 PHE 20 HB2 PHE 20 -15.564 22.488 5.021 174 HB3 PHE 20 HB3 PHE 20 -16.406 21.599 3.751 175 HD1 PHE 20 HD1 PHE 20 -14.765 19.808 2.496 176 HD2 PHE 20 HD2 PHE 20 -14.333 21.161 6.525 177 HE1 PHE 20 HE1 PHE 20 -13.480 17.788 3.040 178 HE2 PHE 20 HE2 PHE 20 -13.041 19.138 7.058 179 HZ PHE 20 HZ PHE 20 -12.614 17.451 5.317 180 H LYS 21 H LYS 21 -14.259 25.120 3.897 181 HA LYS 21 HA LYS 21 -16.780 26.408 3.443 182 HB2 LYS 21 HB2 LYS 21 -15.279 26.978 5.336 183 HB3 LYS 21 HB3 LYS 21 -14.027 27.513 4.228 184 HG2 LYS 21 HG2 LYS 21 -16.723 28.887 4.274 185 HG3 LYS 21 HG3 LYS 21 -15.516 29.260 5.504 186 HD2 LYS 21 HD2 LYS 21 -13.915 29.953 3.729 187 HD3 LYS 21 HD3 LYS 21 -15.120 29.575 2.492 188 HE2 LYS 21 HE2 LYS 21 -16.629 31.296 3.457 189 HE3 LYS 21 HE3 LYS 21 -15.387 31.699 4.648 190 HZ1 LYS 21 HZ1 LYS 21 -15.381 33.215 2.774 191 HZ2 LYS 21 HZ2 LYS 21 -15.099 31.937 1.703 192 HZ3 LYS 21 HZ3 LYS 21 -13.933 32.351 2.851 193 H LYS 22 H LYS 22 -13.583 26.492 1.908 194 HA LYS 22 HA LYS 22 -14.552 28.371 -0.177 195 HB2 LYS 22 HB2 LYS 22 -12.169 28.967 -0.448 196 HB3 LYS 22 HB3 LYS 22 -12.714 29.189 1.213 197 HG2 LYS 22 HG2 LYS 22 -11.716 26.835 1.652 198 HG3 LYS 22 HG3 LYS 22 -10.916 27.026 0.095 199 HD2 LYS 22 HD2 LYS 22 -9.377 27.653 1.833 200 HD3 LYS 22 HD3 LYS 22 -9.832 29.123 0.965 201 HE2 LYS 22 HE2 LYS 22 -11.274 29.798 2.806 202 HE3 LYS 22 HE3 LYS 22 -11.077 28.236 3.598 203 HZ1 LYS 22 HZ1 LYS 22 -8.706 28.708 3.846 204 HZ2 LYS 22 HZ2 LYS 22 -9.674 29.853 4.638 205 HZ3 LYS 22 HZ3 LYS 22 -8.936 30.237 3.169 206 H GLY 23 H GLY 23 -13.516 25.102 0.281 207 HA2 GLY 23 HA2 GLY 23 -13.646 23.336 -1.202 208 HA3 GLY 23 HA3 GLY 23 -14.029 24.454 -2.499 209 H LYS 24 H LYS 24 -11.324 25.720 -1.223 210 HA LYS 24 HA LYS 24 -9.257 23.987 -2.160 211 HB2 LYS 24 HB2 LYS 24 -8.394 25.542 -3.942 212 HB3 LYS 24 HB3 LYS 24 -9.892 24.728 -4.368 213 HG2 LYS 24 HG2 LYS 24 -11.174 26.777 -3.890 214 HG3 LYS 24 HG3 LYS 24 -9.697 27.606 -3.393 215 HD2 LYS 24 HD2 LYS 24 -10.326 26.565 -6.186 216 HD3 LYS 24 HD3 LYS 24 -10.329 28.255 -5.674 217 HE2 LYS 24 HE2 LYS 24 -7.883 28.055 -5.162 218 HE3 LYS 24 HE3 LYS 24 -7.915 26.410 -5.802 219 HZ1 LYS 24 HZ1 LYS 24 -8.593 27.314 -7.943 220 HZ2 LYS 24 HZ2 LYS 24 -7.125 27.973 -7.431 221 HZ3 LYS 24 HZ3 LYS 24 -8.540 28.882 -7.313 222 H ASP 25 H ASP 25 -7.847 24.281 -0.602 223 HA ASP 25 HA ASP 25 -7.502 26.913 0.730 224 HB2 ASP 25 HB2 ASP 25 -9.032 25.269 1.922 225 HB3 ASP 25 HB3 ASP 25 -7.674 24.166 2.048 226 H VAL 26 H VAL 26 -5.432 26.643 2.282 227 HA VAL 26 HA VAL 26 -3.345 24.986 0.991 228 HB VAL 26 HB VAL 26 -3.056 27.895 1.878 229 HG11 VAL 26 HG11 VAL 26 -0.627 27.694 1.336 230 HG12 VAL 26 HG12 VAL 26 -0.830 25.951 1.131 231 HG13 VAL 26 HG13 VAL 26 -1.091 26.692 2.713 232 HG21 VAL 26 HG21 VAL 26 -2.551 26.557 -0.812 233 HG22 VAL 26 HG22 VAL 26 -2.271 28.265 -0.451 234 HG23 VAL 26 HG23 VAL 26 -3.911 27.610 -0.413 235 H PHE 27 H PHE 27 -2.978 23.433 2.441 236 HA PHE 27 HA PHE 27 -2.972 23.891 5.323 237 HB2 PHE 27 HB2 PHE 27 -3.832 21.720 4.455 238 HB3 PHE 27 HB3 PHE 27 -2.272 21.379 3.722 239 HD1 PHE 27 HD1 PHE 27 -3.996 21.853 7.001 240 HD2 PHE 27 HD2 PHE 27 -0.530 20.339 5.010 241 HE1 PHE 27 HE1 PHE 27 -3.277 20.757 9.077 242 HE2 PHE 27 HE2 PHE 27 0.183 19.248 7.088 243 HZ PHE 27 HZ PHE 27 -1.187 19.449 9.126 244 H VAL 28 H VAL 28 -1.239 24.900 6.147 245 HA VAL 28 HA VAL 28 1.419 24.571 4.954 246 HB VAL 28 HB VAL 28 2.134 26.301 6.655 247 HG11 VAL 28 HG11 VAL 28 -0.158 27.061 4.784 248 HG12 VAL 28 HG12 VAL 28 1.559 26.949 4.360 249 HG13 VAL 28 HG13 VAL 28 1.007 28.192 5.485 250 HG21 VAL 28 HG21 VAL 28 0.367 27.588 7.850 251 HG22 VAL 28 HG22 VAL 28 0.421 25.910 8.387 252 HG23 VAL 28 HG23 VAL 28 -0.858 26.439 7.286 253 H LYS 29 H LYS 29 3.104 23.646 5.948 254 HA LYS 29 HA LYS 29 2.739 22.073 8.406 255 HB2 LYS 29 HB2 LYS 29 2.218 20.676 6.356 256 HB3 LYS 29 HB3 LYS 29 3.830 21.008 5.744 257 HG2 LYS 29 HG2 LYS 29 4.155 18.916 6.643 258 HG3 LYS 29 HG3 LYS 29 4.609 19.903 8.030 259 HD2 LYS 29 HD2 LYS 29 1.832 18.689 7.645 260 HD3 LYS 29 HD3 LYS 29 3.131 17.886 8.525 261 HE2 LYS 29 HE2 LYS 29 3.174 19.777 10.139 262 HE3 LYS 29 HE3 LYS 29 1.840 20.536 9.267 263 HZ1 LYS 29 HZ1 LYS 29 1.158 19.291 11.243 264 HZ2 LYS 29 HZ2 LYS 29 1.717 17.861 10.531 265 HZ3 LYS 29 HZ3 LYS 29 0.437 18.715 9.829 266 HA PRO 30 HA PRO 30 7.018 23.791 8.818 267 HB2 PRO 30 HB2 PRO 30 7.570 22.820 11.322 268 HB3 PRO 30 HB3 PRO 30 6.541 24.237 11.057 269 HG2 PRO 30 HG2 PRO 30 5.735 21.363 11.540 270 HG3 PRO 30 HG3 PRO 30 5.092 22.840 12.291 271 HD2 PRO 30 HD2 PRO 30 3.811 21.611 10.237 272 HD3 PRO 30 HD3 PRO 30 3.783 23.379 10.418 273 H ALA 31 H ALA 31 7.040 21.899 7.036 274 HA ALA 31 HA ALA 31 7.987 20.095 6.049 275 HB1 ALA 31 HB1 ALA 31 9.922 21.575 6.364 276 HB2 ALA 31 HB2 ALA 31 10.402 19.880 6.433 277 HB3 ALA 31 HB3 ALA 31 10.266 20.817 7.923 278 H THR 32 H THR 32 6.464 19.425 8.566 279 HA THR 32 HA THR 32 7.756 17.419 10.082 280 HB THR 32 HB THR 32 4.754 17.745 9.648 281 HG1 THR 32 HG1 THR 32 6.603 19.250 11.139 282 HG21 THR 32 HG21 THR 32 5.319 15.676 10.867 283 HG22 THR 32 HG22 THR 32 4.545 16.841 11.942 284 HG23 THR 32 HG23 THR 32 6.292 16.601 12.013 285 H VAL 33 H VAL 33 5.557 17.246 7.313 286 HA VAL 33 HA VAL 33 5.599 14.399 7.017 287 HB VAL 33 HB VAL 33 4.539 14.860 4.771 288 HG11 VAL 33 HG11 VAL 33 3.108 14.588 6.753 289 HG12 VAL 33 HG12 VAL 33 2.415 15.783 5.656 290 HG13 VAL 33 HG13 VAL 33 3.249 16.311 7.120 291 HG21 VAL 33 HG21 VAL 33 3.908 17.191 4.186 292 HG22 VAL 33 HG22 VAL 33 5.659 16.988 4.237 293 HG23 VAL 33 HG23 VAL 33 4.827 17.786 5.573 294 H TRP 34 H TRP 34 6.608 13.201 5.362 295 HA TRP 34 HA TRP 34 9.327 14.043 4.784 296 HB2 TRP 34 HB2 TRP 34 7.854 11.417 4.316 297 HB3 TRP 34 HB3 TRP 34 9.557 11.671 3.944 298 HD1 TRP 34 HD1 TRP 34 10.743 12.964 6.455 299 HE1 TRP 34 HE1 TRP 34 10.769 11.770 8.723 300 HE3 TRP 34 HE3 TRP 34 6.968 9.597 5.671 301 HZ2 TRP 34 HZ2 TRP 34 9.396 9.704 10.033 302 HZ3 TRP 34 HZ3 TRP 34 6.384 8.042 7.490 303 HH2 TRP 34 HH2 TRP 34 7.578 8.094 9.629 304 H LYS 35 H LYS 35 10.023 12.872 2.509 305 HA LYS 35 HA LYS 35 9.309 14.748 0.501 306 HB2 LYS 35 HB2 LYS 35 11.530 13.330 0.985 307 HB3 LYS 35 HB3 LYS 35 10.807 12.188 -0.130 308 HG2 LYS 35 HG2 LYS 35 11.218 15.083 -0.901 309 HG3 LYS 35 HG3 LYS 35 12.533 13.913 -1.011 310 HD2 LYS 35 HD2 LYS 35 11.148 12.532 -2.556 311 HD3 LYS 35 HD3 LYS 35 9.865 13.742 -2.471 312 HE2 LYS 35 HE2 LYS 35 11.372 15.422 -3.457 313 HE3 LYS 35 HE3 LYS 35 12.671 14.228 -3.516 314 HZ1 LYS 35 HZ1 LYS 35 11.341 12.913 -5.044 315 HZ2 LYS 35 HZ2 LYS 35 11.581 14.471 -5.652 316 HZ3 LYS 35 HZ3 LYS 35 10.091 14.053 -4.975 317 H GLU 36 H GLU 36 7.759 11.891 1.450 318 HA GLU 36 HA GLU 36 6.619 10.872 -0.915 319 HB2 GLU 36 HB2 GLU 36 5.173 10.983 1.773 320 HB3 GLU 36 HB3 GLU 36 4.986 9.780 0.496 321 HG2 GLU 36 HG2 GLU 36 7.345 10.143 2.375 322 HG3 GLU 36 HG3 GLU 36 6.199 8.805 2.346 323 H LEU 37 H LEU 37 5.972 13.797 0.865 324 HA LEU 37 HA LEU 37 3.345 14.320 -0.153 325 HB2 LEU 37 HB2 LEU 37 4.923 15.378 1.920 326 HB3 LEU 37 HB3 LEU 37 4.869 16.691 0.771 327 HG LEU 37 HG LEU 37 3.108 17.057 2.334 328 HD11 LEU 37 HD11 LEU 37 1.783 15.941 -0.145 329 HD12 LEU 37 HD12 LEU 37 2.522 17.543 0.000 330 HD13 LEU 37 HD13 LEU 37 1.121 17.130 0.983 331 HD21 LEU 37 HD21 LEU 37 2.111 14.245 1.811 332 HD22 LEU 37 HD22 LEU 37 1.364 15.446 2.870 333 HD23 LEU 37 HD23 LEU 37 2.956 14.803 3.258 334 H LYS 38 H LYS 38 3.416 14.191 -2.410 335 HA LYS 38 HA LYS 38 4.981 16.272 -3.843 336 HB2 LYS 38 HB2 LYS 38 5.102 14.820 -5.780 337 HB3 LYS 38 HB3 LYS 38 5.683 13.940 -4.384 338 HG2 LYS 38 HG2 LYS 38 4.424 12.311 -5.449 339 HG3 LYS 38 HG3 LYS 38 3.247 12.941 -4.301 340 HD2 LYS 38 HD2 LYS 38 2.136 12.645 -6.426 341 HD3 LYS 38 HD3 LYS 38 2.309 14.373 -6.166 342 HE2 LYS 38 HE2 LYS 38 2.852 13.920 -8.467 343 HE3 LYS 38 HE3 LYS 38 4.360 14.305 -7.629 344 HZ1 LYS 38 HZ1 LYS 38 4.857 11.969 -7.473 345 HZ2 LYS 38 HZ2 LYS 38 4.585 12.383 -9.088 346 HZ3 LYS 38 HZ3 LYS 38 3.394 11.556 -8.212 347 HA PRO 39 HA PRO 39 1.071 18.009 -5.238 348 HB2 PRO 39 HB2 PRO 39 1.769 19.163 -7.620 349 HB3 PRO 39 HB3 PRO 39 2.305 19.812 -6.060 350 HG2 PRO 39 HG2 PRO 39 3.801 18.043 -7.994 351 HG3 PRO 39 HG3 PRO 39 4.375 19.482 -7.129 352 HD2 PRO 39 HD2 PRO 39 4.922 16.941 -6.285 353 HD3 PRO 39 HD3 PRO 39 4.737 18.306 -5.150 354 H GLY 40 H GLY 40 -0.275 16.275 -5.589 355 HA2 GLY 40 HA2 GLY 40 -1.419 15.522 -7.877 356 HA3 GLY 40 HA3 GLY 40 0.020 14.501 -7.905 357 H MET 41 H MET 41 -0.290 14.612 -4.788 358 HA MET 41 HA MET 41 -1.671 12.091 -4.554 359 HB2 MET 41 HB2 MET 41 -0.454 13.888 -2.413 360 HB3 MET 41 HB3 MET 41 -1.102 12.283 -2.121 361 HG2 MET 41 HG2 MET 41 0.668 11.533 -3.919 362 HG3 MET 41 HG3 MET 41 1.438 13.068 -3.508 363 HE1 MET 41 HE1 MET 41 1.729 13.711 -0.771 364 HE2 MET 41 HE2 MET 41 1.761 12.470 0.482 365 HE3 MET 41 HE3 MET 41 0.229 12.936 -0.259 366 H LYS 42 H LYS 42 -3.100 11.878 -2.472 367 HA LYS 42 HA LYS 42 -5.235 13.932 -2.451 368 HB2 LYS 42 HB2 LYS 42 -6.557 12.078 -1.252 369 HB3 LYS 42 HB3 LYS 42 -6.247 11.859 -2.968 370 HG2 LYS 42 HG2 LYS 42 -4.525 10.223 -2.505 371 HG3 LYS 42 HG3 LYS 42 -4.603 10.568 -0.781 372 HD2 LYS 42 HD2 LYS 42 -5.751 8.422 -1.489 373 HD3 LYS 42 HD3 LYS 42 -6.765 9.544 -0.568 374 HE2 LYS 42 HE2 LYS 42 -7.895 10.265 -2.607 375 HE3 LYS 42 HE3 LYS 42 -6.796 9.310 -3.600 376 HZ1 LYS 42 HZ1 LYS 42 -8.875 8.177 -3.336 377 HZ2 LYS 42 HZ2 LYS 42 -8.770 8.266 -1.651 378 HZ3 LYS 42 HZ3 LYS 42 -7.673 7.315 -2.517 379 H PHE 43 H PHE 43 -6.193 14.435 -0.377 380 HA PHE 43 HA PHE 43 -4.534 13.966 2.023 381 HB2 PHE 43 HB2 PHE 43 -4.095 16.258 0.927 382 HB3 PHE 43 HB3 PHE 43 -5.742 16.684 1.347 383 HD1 PHE 43 HD1 PHE 43 -6.277 16.224 4.011 384 HD2 PHE 43 HD2 PHE 43 -2.427 17.043 2.345 385 HE1 PHE 43 HE1 PHE 43 -5.510 17.067 6.184 386 HE2 PHE 43 HE2 PHE 43 -1.669 17.878 4.524 387 HZ PHE 43 HZ PHE 43 -3.206 17.893 6.444 388 H VAL 44 H VAL 44 -6.003 12.586 2.931 389 HA VAL 44 HA VAL 44 -8.854 13.188 2.894 390 HB VAL 44 HB VAL 44 -7.344 10.793 4.030 391 HG11 VAL 44 HG11 VAL 44 -9.566 9.700 4.169 392 HG12 VAL 44 HG12 VAL 44 -10.342 11.204 3.667 393 HG13 VAL 44 HG13 VAL 44 -9.488 11.123 5.210 394 HG21 VAL 44 HG21 VAL 44 -8.933 11.110 1.440 395 HG22 VAL 44 HG22 VAL 44 -8.226 9.603 2.026 396 HG23 VAL 44 HG23 VAL 44 -7.178 10.946 1.568 397 H PHE 45 H PHE 45 -9.793 14.313 4.424 398 HA PHE 45 HA PHE 45 -8.406 15.106 6.840 399 HB2 PHE 45 HB2 PHE 45 -11.166 15.854 5.765 400 HB3 PHE 45 HB3 PHE 45 -10.392 16.585 7.175 401 HD1 PHE 45 HD1 PHE 45 -8.352 17.983 6.898 402 HD2 PHE 45 HD2 PHE 45 -10.481 16.476 3.523 403 HE1 PHE 45 HE1 PHE 45 -7.171 19.558 5.441 404 HE2 PHE 45 HE2 PHE 45 -9.303 18.055 2.085 405 HZ PHE 45 HZ PHE 45 -7.646 19.594 3.027 406 H TYR 46 H TYR 46 -8.288 13.484 8.230 407 HA TYR 46 HA TYR 46 -10.469 11.849 9.146 408 HB2 TYR 46 HB2 TYR 46 -8.227 10.959 9.315 409 HB3 TYR 46 HB3 TYR 46 -7.624 12.411 10.097 410 HD1 TYR 46 HD1 TYR 46 -9.796 9.386 10.678 411 HD2 TYR 46 HD2 TYR 46 -7.572 12.558 12.479 412 HE1 TYR 46 HE1 TYR 46 -10.084 8.363 12.898 413 HE2 TYR 46 HE2 TYR 46 -7.872 11.534 14.681 414 HH TYR 46 HH TYR 46 -8.962 8.371 15.090 415 H GLN 47 H GLN 47 -11.311 11.953 11.321 416 HA GLN 47 HA GLN 47 -12.173 12.782 13.204 417 HB2 GLN 47 HB2 GLN 47 -9.914 13.502 13.795 418 HB3 GLN 47 HB3 GLN 47 -10.096 14.978 12.856 419 HG2 GLN 47 HG2 GLN 47 -11.797 15.790 14.433 420 HG3 GLN 47 HG3 GLN 47 -11.665 14.290 15.357 421 HE21 GLN 47 HE21 GLN 47 -9.963 17.238 14.421 422 HE22 GLN 47 HE22 GLN 47 -8.792 17.189 15.690 423 H SER 48 H SER 48 -14.223 13.120 12.420 424 HA SER 48 HA SER 48 -15.015 15.755 11.381 425 HB2 SER 48 HB2 SER 48 -15.934 13.632 10.376 426 HB3 SER 48 HB3 SER 48 -16.705 13.266 11.919 427 HG SER 48 HG SER 48 -17.830 15.324 11.647 428 H HIS 49 H HIS 49 -13.929 15.762 13.947 429 HA HIS 49 HA HIS 49 -14.122 16.149 16.135 430 HB2 HIS 49 HB2 HIS 49 -15.203 18.222 15.379 431 HB3 HIS 49 HB3 HIS 49 -16.765 17.415 15.317 432 HD1 HIS 49 HD1 HIS 49 -18.186 17.931 17.282 433 HD2 HIS 49 HD2 HIS 49 -14.145 18.096 18.230 434 HE1 HIS 49 HE1 HIS 49 -18.095 18.615 19.695 435 HE2 HIS 49 HE2 HIS 49 -15.643 18.606 20.277 436 H GLU 50 H GLU 50 -17.637 15.607 15.721 437 HA GLU 50 HA GLU 50 -17.475 12.924 16.897 438 HB2 GLU 50 HB2 GLU 50 -19.151 15.166 18.130 439 HB3 GLU 50 HB3 GLU 50 -19.326 13.458 18.531 440 HG2 GLU 50 HG2 GLU 50 -17.008 13.434 19.408 441 HG3 GLU 50 HG3 GLU 50 -16.845 15.146 19.010 442 H ASP 51 H ASP 51 -17.989 12.534 14.637 443 HA ASP 51 HA ASP 51 -20.851 12.216 14.242 444 HB2 ASP 51 HB2 ASP 51 -20.611 14.340 13.098 445 HB3 ASP 51 HB3 ASP 51 -19.134 13.820 12.291 446 H THR 52 H THR 52 -17.857 11.994 12.316 447 HA THR 52 HA THR 52 -18.058 9.074 12.182 448 HB THR 52 HB THR 52 -19.336 9.853 10.227 449 HG1 THR 52 HG1 THR 52 -18.279 8.006 9.770 450 HG21 THR 52 HG21 THR 52 -18.274 11.081 8.374 451 HG22 THR 52 HG22 THR 52 -16.813 11.298 9.343 452 HG23 THR 52 HG23 THR 52 -18.328 12.057 9.845 453 H GLY 53 H GLY 53 -16.075 8.253 10.831 454 HA2 GLY 53 HA2 GLY 53 -13.779 8.980 12.334 455 HA3 GLY 53 HA3 GLY 53 -13.835 7.840 11.001 456 H PHE 54 H PHE 54 -14.763 9.657 9.006 457 HA PHE 54 HA PHE 54 -12.508 11.573 8.728 458 HB2 PHE 54 HB2 PHE 54 -13.642 9.758 6.552 459 HB3 PHE 54 HB3 PHE 54 -12.445 11.016 6.291 460 HD1 PHE 54 HD1 PHE 54 -10.145 10.764 7.355 461 HD2 PHE 54 HD2 PHE 54 -12.965 7.558 7.231 462 HE1 PHE 54 HE1 PHE 54 -8.331 9.150 7.735 463 HE2 PHE 54 HE2 PHE 54 -11.145 5.953 7.604 464 HZ PHE 54 HZ PHE 54 -8.827 6.742 7.861 465 H VAL 55 H VAL 55 -13.179 13.594 8.338 466 HA VAL 55 HA VAL 55 -15.970 14.210 7.936 467 HB VAL 55 HB VAL 55 -14.760 15.598 9.464 468 HG11 VAL 55 HG11 VAL 55 -12.870 16.383 7.230 469 HG12 VAL 55 HG12 VAL 55 -12.481 15.358 8.614 470 HG13 VAL 55 HG13 VAL 55 -12.871 17.061 8.864 471 HG21 VAL 55 HG21 VAL 55 -15.362 17.271 7.008 472 HG22 VAL 55 HG22 VAL 55 -15.254 17.868 8.668 473 HG23 VAL 55 HG23 VAL 55 -16.537 16.743 8.216 474 H GLY 56 H GLY 56 -13.058 14.184 5.930 475 HA2 GLY 56 HA2 GLY 56 -14.531 14.086 3.504 476 HA3 GLY 56 HA3 GLY 56 -13.943 15.727 3.756 477 H GLU 57 H GLU 57 -12.788 15.319 1.751 478 HA GLU 57 HA GLU 57 -10.047 14.572 2.294 479 HB2 GLU 57 HB2 GLU 57 -9.732 13.081 0.440 480 HB3 GLU 57 HB3 GLU 57 -11.103 12.458 1.351 481 HG2 GLU 57 HG2 GLU 57 -12.662 13.309 -0.303 482 HG3 GLU 57 HG3 GLU 57 -11.364 14.135 -1.163 483 H ALA 58 H ALA 58 -8.751 15.072 0.152 484 HA ALA 58 HA ALA 58 -9.825 17.011 -1.681 485 HB1 ALA 58 HB1 ALA 58 -8.272 18.859 -1.058 486 HB2 ALA 58 HB2 ALA 58 -7.782 17.935 0.370 487 HB3 ALA 58 HB3 ALA 58 -9.442 18.506 0.217 488 H ARG 59 H ARG 59 -7.593 18.069 -2.772 489 HA ARG 59 HA ARG 59 -5.781 15.796 -3.328 490 HB2 ARG 59 HB2 ARG 59 -6.987 17.701 -5.384 491 HB3 ARG 59 HB3 ARG 59 -5.808 16.428 -5.725 492 HG2 ARG 59 HG2 ARG 59 -8.603 15.987 -4.615 493 HG3 ARG 59 HG3 ARG 59 -8.135 15.771 -6.305 494 HD2 ARG 59 HD2 ARG 59 -6.922 13.804 -5.845 495 HD3 ARG 59 HD3 ARG 59 -6.676 14.215 -4.148 496 HE ARG 59 HE ARG 59 -8.613 13.157 -3.635 497 HH11 ARG 59 HH11 ARG 59 -8.781 13.884 -7.081 498 HH12 ARG 59 HH12 ARG 59 -10.232 12.967 -7.310 499 HH21 ARG 59 HH21 ARG 59 -10.486 11.971 -3.963 500 HH22 ARG 59 HH22 ARG 59 -11.201 11.895 -5.537 501 H ILE 60 H ILE 60 -3.758 16.257 -3.119 502 HA ILE 60 HA ILE 60 -2.778 18.810 -2.290 503 HB ILE 60 HB ILE 60 -1.553 16.072 -2.734 504 HG12 ILE 60 HG12 ILE 60 -1.621 17.664 -0.143 505 HG13 ILE 60 HG13 ILE 60 -3.026 16.748 -0.654 506 HG21 ILE 60 HG21 ILE 60 0.232 17.588 -3.394 507 HG22 ILE 60 HG22 ILE 60 0.609 16.881 -1.825 508 HG23 ILE 60 HG23 ILE 60 0.017 18.538 -1.921 509 HD11 ILE 60 HD11 ILE 60 -1.652 15.553 0.963 510 HD12 ILE 60 HD12 ILE 60 -0.283 15.595 -0.147 511 HD13 ILE 60 HD13 ILE 60 -1.742 14.692 -0.572 512 H LYS 61 H LYS 61 -1.870 20.318 -3.435 513 HA LYS 61 HA LYS 61 -0.694 19.864 -6.114 514 HB2 LYS 61 HB2 LYS 61 -2.412 22.227 -5.220 515 HB3 LYS 61 HB3 LYS 61 -1.598 22.121 -6.770 516 HG2 LYS 61 HG2 LYS 61 -3.715 20.166 -5.847 517 HG3 LYS 61 HG3 LYS 61 -4.072 21.631 -6.763 518 HD2 LYS 61 HD2 LYS 61 -2.258 19.383 -7.735 519 HD3 LYS 61 HD3 LYS 61 -3.966 19.554 -8.155 520 HE2 LYS 61 HE2 LYS 61 -3.446 21.781 -9.169 521 HE3 LYS 61 HE3 LYS 61 -1.732 21.494 -8.841 522 HZ1 LYS 61 HZ1 LYS 61 -3.505 19.889 -10.593 523 HZ2 LYS 61 HZ2 LYS 61 -1.903 19.486 -10.223 524 HZ3 LYS 61 HZ3 LYS 61 -2.243 20.900 -11.078 525 H ARG 62 H ARG 62 0.130 22.672 -6.292 526 HA ARG 62 HA ARG 62 2.732 22.225 -5.799 527 HB2 ARG 62 HB2 ARG 62 3.164 24.526 -6.329 528 HB3 ARG 62 HB3 ARG 62 1.731 24.046 -7.225 529 HG2 ARG 62 HG2 ARG 62 0.384 25.178 -5.319 530 HG3 ARG 62 HG3 ARG 62 1.922 25.889 -4.825 531 HD2 ARG 62 HD2 ARG 62 0.853 27.520 -6.193 532 HD3 ARG 62 HD3 ARG 62 2.102 26.807 -7.223 533 HE ARG 62 HE ARG 62 -0.304 25.392 -7.569 534 HH11 ARG 62 HH11 ARG 62 0.985 28.568 -8.358 535 HH12 ARG 62 HH12 ARG 62 -0.074 28.783 -9.710 536 HH21 ARG 62 HH21 ARG 62 -1.696 25.705 -9.267 537 HH22 ARG 62 HH22 ARG 62 -1.608 27.145 -10.225 538 H VAL 63 H VAL 63 3.811 21.747 -3.996 539 HA VAL 63 HA VAL 63 3.210 22.996 -1.436 540 HB VAL 63 HB VAL 63 4.952 21.534 -0.472 541 HG11 VAL 63 HG11 VAL 63 3.036 20.022 -2.295 542 HG12 VAL 63 HG12 VAL 63 2.670 20.652 -0.687 543 HG13 VAL 63 HG13 VAL 63 3.846 19.352 -0.874 544 HG21 VAL 63 HG21 VAL 63 6.587 21.417 -2.328 545 HG22 VAL 63 HG22 VAL 63 5.449 20.486 -3.300 546 HG23 VAL 63 HG23 VAL 63 6.122 19.791 -1.822 547 H VAL 64 H VAL 64 3.866 24.993 -1.156 548 HA VAL 64 HA VAL 64 6.116 26.154 -2.611 549 HB VAL 64 HB VAL 64 3.957 27.361 -0.831 550 HG11 VAL 64 HG11 VAL 64 6.161 28.854 -2.305 551 HG12 VAL 64 HG12 VAL 64 5.969 28.741 -0.553 552 HG13 VAL 64 HG13 VAL 64 4.770 29.604 -1.518 553 HG21 VAL 64 HG21 VAL 64 4.401 27.556 -3.833 554 HG22 VAL 64 HG22 VAL 64 3.115 28.357 -2.928 555 HG23 VAL 64 HG23 VAL 64 3.152 26.595 -3.028 556 H LEU 65 H LEU 65 8.051 25.922 -1.726 557 HA LEU 65 HA LEU 65 8.387 25.353 1.108 558 HB2 LEU 65 HB2 LEU 65 10.503 25.457 -1.092 559 HB3 LEU 65 HB3 LEU 65 10.679 24.745 0.510 560 HG LEU 65 HG LEU 65 8.864 23.696 -1.712 561 HD11 LEU 65 HD11 LEU 65 11.479 22.546 -0.682 562 HD12 LEU 65 HD12 LEU 65 11.224 23.340 -2.238 563 HD13 LEU 65 HD13 LEU 65 10.416 21.813 -1.891 564 HD21 LEU 65 HD21 LEU 65 8.500 21.727 -0.272 565 HD22 LEU 65 HD22 LEU 65 7.893 23.200 0.474 566 HD23 LEU 65 HD23 LEU 65 9.415 22.497 1.029 567 H SER 66 H SER 66 8.686 26.971 2.452 568 HA SER 66 HA SER 66 10.673 29.026 1.960 569 HB2 SER 66 HB2 SER 66 8.566 30.116 1.197 570 HB3 SER 66 HB3 SER 66 7.821 29.783 2.761 571 HG SER 66 HG SER 66 9.466 31.799 2.052 572 H GLU 67 H GLU 67 11.844 29.279 3.782 573 HA GLU 67 HA GLU 67 11.255 27.833 6.167 574 HB2 GLU 67 HB2 GLU 67 13.406 29.868 5.517 575 HB3 GLU 67 HB3 GLU 67 13.299 29.048 7.072 576 HG2 GLU 67 HG2 GLU 67 13.436 26.860 5.767 577 HG3 GLU 67 HG3 GLU 67 13.862 27.828 4.363 578 H ASN 68 H ASN 68 10.095 30.848 5.106 579 HA ASN 68 HA ASN 68 9.317 31.622 7.851 580 HB2 ASN 68 HB2 ASN 68 8.944 33.220 5.285 581 HB3 ASN 68 HB3 ASN 68 8.562 33.760 6.913 582 HD21 ASN 68 HD21 ASN 68 11.106 33.142 4.633 583 HD22 ASN 68 HD22 ASN 68 12.364 33.935 5.510 584 HA PRO 69 HA PRO 69 5.262 29.797 6.771 585 HB2 PRO 69 HB2 PRO 69 4.084 30.269 9.202 586 HB3 PRO 69 HB3 PRO 69 5.198 28.929 8.917 587 HG2 PRO 69 HG2 PRO 69 5.760 31.624 10.149 588 HG3 PRO 69 HG3 PRO 69 6.269 30.016 10.708 589 HD2 PRO 69 HD2 PRO 69 7.930 31.648 9.322 590 HD3 PRO 69 HD3 PRO 69 7.989 29.876 9.142 591 H MET 70 H MET 70 6.123 33.025 7.603 592 HA MET 70 HA MET 70 3.475 34.216 7.517 593 HB2 MET 70 HB2 MET 70 6.246 35.472 7.532 594 HB3 MET 70 HB3 MET 70 4.735 36.355 7.743 595 HG2 MET 70 HG2 MET 70 4.336 35.361 9.865 596 HG3 MET 70 HG3 MET 70 5.570 34.123 9.611 597 HE1 MET 70 HE1 MET 70 8.883 36.238 9.863 598 HE2 MET 70 HE2 MET 70 7.994 35.903 8.381 599 HE3 MET 70 HE3 MET 70 8.202 34.632 9.588 600 H GLN 71 H GLN 71 6.109 33.545 5.358 601 HA GLN 71 HA GLN 71 5.603 35.185 3.186 602 HB2 GLN 71 HB2 GLN 71 7.449 33.236 3.784 603 HB3 GLN 71 HB3 GLN 71 6.482 32.362 2.608 604 HG2 GLN 71 HG2 GLN 71 7.756 35.062 2.107 605 HG3 GLN 71 HG3 GLN 71 8.503 33.524 1.692 606 HE21 GLN 71 HE21 GLN 71 7.626 35.821 0.034 607 HE22 GLN 71 HE22 GLN 71 6.618 35.125 -1.183 608 H PHE 72 H PHE 72 3.949 32.292 4.256 609 HA PHE 72 HA PHE 72 2.513 31.788 1.812 610 HB2 PHE 72 HB2 PHE 72 1.895 30.760 4.607 611 HB3 PHE 72 HB3 PHE 72 1.384 30.045 3.078 612 HD1 PHE 72 HD1 PHE 72 3.989 30.183 1.542 613 HD2 PHE 72 HD2 PHE 72 3.167 29.018 5.572 614 HE1 PHE 72 HE1 PHE 72 5.982 28.751 1.545 615 HE2 PHE 72 HE2 PHE 72 5.155 27.592 5.556 616 HZ PHE 72 HZ PHE 72 6.568 27.451 3.548 617 H PHE 73 H PHE 73 2.014 33.916 4.510 618 HA PHE 73 HA PHE 73 -0.862 34.209 4.080 619 HB2 PHE 73 HB2 PHE 73 1.036 35.707 5.944 620 HB3 PHE 73 HB3 PHE 73 -0.720 35.856 5.948 621 HD1 PHE 73 HD1 PHE 73 -1.695 33.116 5.746 622 HD2 PHE 73 HD2 PHE 73 1.649 34.616 7.950 623 HE1 PHE 73 HE1 PHE 73 -1.850 31.219 7.292 624 HE2 PHE 73 HE2 PHE 73 1.466 32.709 9.476 625 HZ PHE 73 HZ PHE 73 -0.269 31.007 9.159 626 H GLU 74 H GLU 74 2.142 36.014 3.380 627 HA GLU 74 HA GLU 74 0.752 38.213 2.103 628 HB2 GLU 74 HB2 GLU 74 2.956 38.964 1.317 629 HB3 GLU 74 HB3 GLU 74 3.013 38.561 3.029 630 HG2 GLU 74 HG2 GLU 74 4.150 36.472 2.564 631 HG3 GLU 74 HG3 GLU 74 3.951 36.703 0.824 632 H THR 75 H THR 75 1.923 35.075 1.078 633 HA THR 75 HA THR 75 1.701 35.613 -1.760 634 HB THR 75 HB THR 75 2.261 33.040 -0.222 635 HG1 THR 75 HG1 THR 75 4.207 33.816 -0.264 636 HG21 THR 75 HG21 THR 75 1.248 32.441 -2.404 637 HG22 THR 75 HG22 THR 75 2.968 32.047 -2.372 638 HG23 THR 75 HG23 THR 75 2.411 33.483 -3.230 639 H PHE 76 H PHE 76 -0.193 33.835 0.699 640 HA PHE 76 HA PHE 76 -2.344 33.371 -1.307 641 HB2 PHE 76 HB2 PHE 76 -1.763 31.729 1.198 642 HB3 PHE 76 HB3 PHE 76 -3.015 31.401 0.015 643 HD1 PHE 76 HD1 PHE 76 -2.151 31.047 -2.478 644 HD2 PHE 76 HD2 PHE 76 0.245 30.562 1.029 645 HE1 PHE 76 HE1 PHE 76 -0.610 29.589 -3.722 646 HE2 PHE 76 HE2 PHE 76 1.778 29.106 -0.220 647 HZ PHE 76 HZ PHE 76 1.349 28.618 -2.596 648 H GLY 77 H GLY 77 -2.039 33.452 2.280 649 HA2 GLY 77 HA2 GLY 77 -3.158 34.618 3.906 650 HA3 GLY 77 HA3 GLY 77 -3.796 35.687 2.665 651 H ASP 78 H ASP 78 -5.680 34.979 1.464 652 HA ASP 78 HA ASP 78 -7.745 34.035 3.200 653 HB2 ASP 78 HB2 ASP 78 -7.817 34.635 0.211 654 HB3 ASP 78 HB3 ASP 78 -9.241 34.283 1.183 655 H ARG 79 H ARG 79 -5.736 32.469 0.844 656 HA ARG 79 HA ARG 79 -7.335 30.127 0.437 657 HB2 ARG 79 HB2 ARG 79 -4.354 30.598 0.027 658 HB3 ARG 79 HB3 ARG 79 -5.161 29.098 -0.404 659 HG2 ARG 79 HG2 ARG 79 -5.822 31.815 -1.575 660 HG3 ARG 79 HG3 ARG 79 -4.774 30.609 -2.337 661 HD2 ARG 79 HD2 ARG 79 -6.671 29.018 -2.407 662 HD3 ARG 79 HD3 ARG 79 -7.718 30.236 -1.660 663 HE ARG 79 HE ARG 79 -6.405 30.923 -4.199 664 HH11 ARG 79 HH11 ARG 79 -9.374 30.028 -2.555 665 HH12 ARG 79 HH12 ARG 79 -10.392 30.433 -3.898 666 HH21 ARG 79 HH21 ARG 79 -7.735 31.442 -5.967 667 HH22 ARG 79 HH22 ARG 79 -9.456 31.241 -5.849 668 H VAL 80 H VAL 80 -4.840 31.018 2.810 669 HA VAL 80 HA VAL 80 -4.217 28.334 3.613 670 HB VAL 80 HB VAL 80 -3.638 30.865 5.226 671 HG11 VAL 80 HG11 VAL 80 -2.142 28.219 5.081 672 HG12 VAL 80 HG12 VAL 80 -3.175 28.757 6.412 673 HG13 VAL 80 HG13 VAL 80 -1.679 29.622 6.050 674 HG21 VAL 80 HG21 VAL 80 -1.969 29.753 2.934 675 HG22 VAL 80 HG22 VAL 80 -1.487 31.069 4.012 676 HG23 VAL 80 HG23 VAL 80 -2.867 31.274 2.929 677 H PHE 81 H PHE 81 -4.768 27.251 5.589 678 HA PHE 81 HA PHE 81 -7.490 27.559 6.355 679 HB2 PHE 81 HB2 PHE 81 -7.276 25.561 7.617 680 HB3 PHE 81 HB3 PHE 81 -6.259 25.366 6.203 681 HD1 PHE 81 HD1 PHE 81 -3.788 25.305 6.415 682 HD2 PHE 81 HD2 PHE 81 -6.311 25.539 9.864 683 HE1 PHE 81 HE1 PHE 81 -1.924 24.572 7.840 684 HE2 PHE 81 HE2 PHE 81 -4.442 24.802 11.280 685 HZ PHE 81 HZ PHE 81 -2.243 24.322 10.272 686 H LEU 82 H LEU 82 -4.664 28.933 7.647 687 HA LEU 82 HA LEU 82 -6.185 30.054 9.897 688 HB2 LEU 82 HB2 LEU 82 -4.583 29.575 11.529 689 HB3 LEU 82 HB3 LEU 82 -4.691 28.078 10.640 690 HG LEU 82 HG LEU 82 -2.429 30.116 10.388 691 HD11 LEU 82 HD11 LEU 82 -2.421 27.395 11.735 692 HD12 LEU 82 HD12 LEU 82 -2.379 28.961 12.552 693 HD13 LEU 82 HD13 LEU 82 -1.029 28.467 11.534 694 HD21 LEU 82 HD21 LEU 82 -1.269 28.427 9.062 695 HD22 LEU 82 HD22 LEU 82 -2.771 28.924 8.289 696 HD23 LEU 82 HD23 LEU 82 -2.686 27.374 9.130 697 H THR 83 H THR 83 -5.018 32.020 10.808 698 HA THR 83 HA THR 83 -3.597 33.461 8.639 699 HB THR 83 HB THR 83 -5.820 34.466 9.274 700 HG1 THR 83 HG1 THR 83 -4.702 36.632 9.872 701 HG21 THR 83 HG21 THR 83 -4.469 35.079 11.925 702 HG22 THR 83 HG22 THR 83 -5.823 33.976 11.690 703 HG23 THR 83 HG23 THR 83 -6.035 35.700 11.393 704 H LYS 84 H LYS 84 -2.324 35.425 9.832 705 HA LYS 84 HA LYS 84 -0.062 34.182 10.943 706 HB2 LYS 84 HB2 LYS 84 -0.058 36.308 9.617 707 HB3 LYS 84 HB3 LYS 84 -0.775 37.134 10.992 708 HG2 LYS 84 HG2 LYS 84 1.232 36.683 12.342 709 HG3 LYS 84 HG3 LYS 84 1.961 35.808 10.990 710 HD2 LYS 84 HD2 LYS 84 1.193 38.760 10.974 711 HD3 LYS 84 HD3 LYS 84 2.829 38.142 11.216 712 HE2 LYS 84 HE2 LYS 84 2.831 37.193 8.945 713 HE3 LYS 84 HE3 LYS 84 1.159 37.707 8.706 714 HZ1 LYS 84 HZ1 LYS 84 2.743 39.215 7.671 715 HZ2 LYS 84 HZ2 LYS 84 3.460 39.526 9.165 716 HZ3 LYS 84 HZ3 LYS 84 1.862 40.001 8.880 717 H ASP 85 H ASP 85 -2.855 35.689 12.461 718 HA ASP 85 HA ASP 85 -1.955 35.870 15.137 719 HB2 ASP 85 HB2 ASP 85 -4.772 35.341 14.078 720 HB3 ASP 85 HB3 ASP 85 -4.397 35.688 15.765 721 H GLU 86 H GLU 86 -3.633 33.174 13.440 722 HA GLU 86 HA GLU 86 -3.520 31.387 15.659 723 HB2 GLU 86 HB2 GLU 86 -3.941 30.869 12.711 724 HB3 GLU 86 HB3 GLU 86 -3.906 29.570 13.889 725 HG2 GLU 86 HG2 GLU 86 -6.164 29.925 13.664 726 HG3 GLU 86 HG3 GLU 86 -5.800 30.887 15.090 727 H LEU 87 H LEU 87 -1.252 32.126 13.098 728 HA LEU 87 HA LEU 87 0.540 29.934 13.483 729 HB2 LEU 87 HB2 LEU 87 0.646 31.240 11.431 730 HB3 LEU 87 HB3 LEU 87 0.944 32.720 12.329 731 HG LEU 87 HG LEU 87 3.135 31.686 13.125 732 HD11 LEU 87 HD11 LEU 87 2.634 29.339 12.728 733 HD12 LEU 87 HD12 LEU 87 4.092 29.832 11.874 734 HD13 LEU 87 HD13 LEU 87 2.584 29.622 10.982 735 HD21 LEU 87 HD21 LEU 87 2.971 32.089 10.133 736 HD22 LEU 87 HD22 LEU 87 4.374 32.308 11.178 737 HD23 LEU 87 HD23 LEU 87 2.998 33.393 11.324 738 H LYS 88 H LYS 88 0.463 33.278 14.795 739 HA LYS 88 HA LYS 88 3.004 33.037 16.072 740 HB2 LYS 88 HB2 LYS 88 2.460 35.230 17.192 741 HB3 LYS 88 HB3 LYS 88 2.406 35.245 15.442 742 HG2 LYS 88 HG2 LYS 88 0.566 36.547 16.016 743 HG3 LYS 88 HG3 LYS 88 -0.140 34.979 15.705 744 HD2 LYS 88 HD2 LYS 88 -1.188 35.962 17.664 745 HD3 LYS 88 HD3 LYS 88 -0.262 34.537 18.144 746 HE2 LYS 88 HE2 LYS 88 0.118 36.318 19.740 747 HE3 LYS 88 HE3 LYS 88 1.591 36.021 18.821 748 HZ1 LYS 88 HZ1 LYS 88 1.078 38.397 19.116 749 HZ2 LYS 88 HZ2 LYS 88 -0.332 38.192 18.210 750 HZ3 LYS 88 HZ3 LYS 88 1.175 37.939 17.493 751 H GLU 89 H GLU 89 -0.334 32.621 17.201 752 HA GLU 89 HA GLU 89 0.279 32.240 19.964 753 HB2 GLU 89 HB2 GLU 89 -1.944 31.266 20.214 754 HB3 GLU 89 HB3 GLU 89 -2.067 32.652 19.135 755 HG2 GLU 89 HG2 GLU 89 -2.289 31.243 17.206 756 HG3 GLU 89 HG3 GLU 89 -1.840 29.809 18.111 757 H TYR 90 H TYR 90 0.169 30.100 17.153 758 HA TYR 90 HA TYR 90 0.486 27.612 18.464 759 HB2 TYR 90 HB2 TYR 90 -0.347 27.772 16.171 760 HB3 TYR 90 HB3 TYR 90 1.154 28.504 15.621 761 HD1 TYR 90 HD1 TYR 90 -0.100 25.341 17.246 762 HD2 TYR 90 HD2 TYR 90 2.739 27.118 14.584 763 HE1 TYR 90 HE1 TYR 90 0.758 23.109 16.680 764 HE2 TYR 90 HE2 TYR 90 3.615 24.875 14.022 765 HH TYR 90 HH TYR 90 2.015 21.957 15.032 766 H MET 91 H MET 91 2.876 29.836 17.013 767 HA MET 91 HA MET 91 5.170 28.217 17.581 768 HB2 MET 91 HB2 MET 91 4.970 31.173 16.881 769 HB3 MET 91 HB3 MET 91 6.485 30.284 16.997 770 HG2 MET 91 HG2 MET 91 5.693 28.789 15.155 771 HG3 MET 91 HG3 MET 91 4.258 29.804 14.995 772 HE1 MET 91 HE1 MET 91 5.644 32.760 15.538 773 HE2 MET 91 HE2 MET 91 4.390 32.411 14.348 774 HE3 MET 91 HE3 MET 91 5.874 33.227 13.853 775 H LYS 92 H LYS 92 3.581 30.927 19.234 776 HA LYS 92 HA LYS 92 5.378 31.241 21.391 777 HB2 LYS 92 HB2 LYS 92 2.409 31.824 21.118 778 HB3 LYS 92 HB3 LYS 92 3.245 32.095 22.642 779 HG2 LYS 92 HG2 LYS 92 3.951 33.416 19.997 780 HG3 LYS 92 HG3 LYS 92 3.002 34.162 21.285 781 HD2 LYS 92 HD2 LYS 92 5.942 33.341 21.414 782 HD3 LYS 92 HD3 LYS 92 5.304 34.988 21.366 783 HE2 LYS 92 HE2 LYS 92 4.199 34.572 23.578 784 HE3 LYS 92 HE3 LYS 92 4.950 32.969 23.606 785 HZ1 LYS 92 HZ1 LYS 92 7.097 33.967 23.653 786 HZ2 LYS 92 HZ2 LYS 92 6.159 34.634 24.893 787 HZ3 LYS 92 HZ3 LYS 92 6.447 35.517 23.487 788 H SER 93 H SER 93 2.597 29.102 20.904 789 HA SER 93 HA SER 93 2.307 28.047 23.486 790 HB2 SER 93 HB2 SER 93 0.633 27.796 21.635 791 HB3 SER 93 HB3 SER 93 1.710 26.654 20.833 792 HG SER 93 HG SER 93 1.269 25.172 22.309 793 H GLN 94 H GLN 94 4.553 27.222 20.910 794 HA GLN 94 HA GLN 94 5.509 24.767 22.053 795 HB2 GLN 94 HB2 GLN 94 7.090 26.519 20.124 796 HB3 GLN 94 HB3 GLN 94 7.186 24.773 20.337 797 HG2 GLN 94 HG2 GLN 94 5.037 26.385 18.943 798 HG3 GLN 94 HG3 GLN 94 6.093 25.161 18.249 799 HE21 GLN 94 HE21 GLN 94 3.221 25.325 18.094 800 HE22 GLN 94 HE22 GLN 94 2.580 23.899 18.825 801 H GLU 95 H GLU 95 6.738 28.116 21.919 802 HA GLU 95 HA GLU 95 9.117 27.467 23.433 803 HB2 GLU 95 HB2 GLU 95 9.787 29.811 23.003 804 HB3 GLU 95 HB3 GLU 95 9.348 28.954 21.544 805 HG2 GLU 95 HG2 GLU 95 8.359 30.992 21.138 806 HG3 GLU 95 HG3 GLU 95 7.008 30.133 21.864 807 H ARG 96 H ARG 96 6.013 28.247 24.468 808 HA ARG 96 HA ARG 96 6.994 29.624 26.907 809 HB2 ARG 96 HB2 ARG 96 4.795 30.488 27.270 810 HB3 ARG 96 HB3 ARG 96 5.168 30.749 25.571 811 HG2 ARG 96 HG2 ARG 96 3.755 28.792 24.972 812 HG3 ARG 96 HG3 ARG 96 3.369 28.557 26.680 813 HD2 ARG 96 HD2 ARG 96 2.657 30.988 24.990 814 HD3 ARG 96 HD3 ARG 96 1.546 29.723 25.537 815 HE ARG 96 HE ARG 96 2.842 30.878 27.767 816 HH11 ARG 96 HH11 ARG 96 0.345 31.655 25.434 817 HH12 ARG 96 HH12 ARG 96 -0.435 32.782 26.486 818 HH21 ARG 96 HH21 ARG 96 1.811 32.361 29.112 819 HH22 ARG 96 HH22 ARG 96 0.396 33.192 28.551 820 H TRP 97 H TRP 97 5.534 26.643 25.793 821 HA TRP 97 HA TRP 97 4.910 25.832 28.562 822 HB2 TRP 97 HB2 TRP 97 4.017 24.573 25.931 823 HB3 TRP 97 HB3 TRP 97 3.604 23.958 27.526 824 HD1 TRP 97 HD1 TRP 97 1.942 25.742 24.927 825 HE1 TRP 97 HE1 TRP 97 0.104 27.308 25.777 826 HE3 TRP 97 HE3 TRP 97 3.231 25.929 29.898 827 HZ2 TRP 97 HZ2 TRP 97 -0.709 28.467 28.195 828 HZ3 TRP 97 HZ3 TRP 97 1.844 27.292 31.409 829 HH2 TRP 97 HH2 TRP 97 -0.089 28.535 30.572 830 H GLY 98 H GLY 98 5.988 23.894 25.727 831 HA2 GLY 98 HA2 GLY 98 7.576 22.245 27.605 832 HA3 GLY 98 HA3 GLY 98 6.916 21.723 26.074 833 H ARG 99 H ARG 99 7.870 22.656 24.113 834 HA ARG 99 HA ARG 99 10.764 22.473 24.276 835 HB2 ARG 99 HB2 ARG 99 10.592 22.488 21.705 836 HB3 ARG 99 HB3 ARG 99 9.858 21.135 22.559 837 HG2 ARG 99 HG2 ARG 99 7.627 22.267 22.323 838 HG3 ARG 99 HG3 ARG 99 8.403 23.498 21.323 839 HD2 ARG 99 HD2 ARG 99 8.964 21.847 19.634 840 HD3 ARG 99 HD3 ARG 99 8.422 20.525 20.675 841 HE ARG 99 HE ARG 99 6.389 22.485 20.080 842 HH11 ARG 99 HH11 ARG 99 7.818 19.460 19.029 843 HH12 ARG 99 HH12 ARG 99 6.429 18.990 18.106 844 HH21 ARG 99 HH21 ARG 99 4.574 21.856 18.881 845 HH22 ARG 99 HH22 ARG 99 4.600 20.365 18.006 846 H ARG 100 H ARG 100 11.220 24.381 25.356 847 HA ARG 100 HA ARG 100 10.584 26.966 24.135 848 HB2 ARG 100 HB2 ARG 100 11.980 26.401 26.788 849 HB3 ARG 100 HB3 ARG 100 11.281 27.933 26.258 850 HG2 ARG 100 HG2 ARG 100 9.016 26.664 26.187 851 HG3 ARG 100 HG3 ARG 100 9.833 25.398 27.108 852 HD2 ARG 100 HD2 ARG 100 9.490 28.299 27.953 853 HD3 ARG 100 HD3 ARG 100 8.572 26.924 28.564 854 HE ARG 100 HE ARG 100 11.058 26.185 29.182 855 HH11 ARG 100 HH11 ARG 100 9.460 29.269 29.694 856 HH12 ARG 100 HH12 ARG 100 10.356 29.628 31.131 857 HH21 ARG 100 HH21 ARG 100 12.197 26.650 31.093 858 HH22 ARG 100 HH22 ARG 100 11.891 28.140 31.931 859 H ARG 101 H ARG 101 12.295 28.623 24.065 860 HA ARG 101 HA ARG 101 14.273 29.544 23.518 861 HB2 ARG 101 HB2 ARG 101 15.190 28.503 25.509 862 HB3 ARG 101 HB3 ARG 101 15.419 26.978 24.667 863 HG2 ARG 101 HG2 ARG 101 17.168 28.056 23.246 864 HG3 ARG 101 HG3 ARG 101 16.952 29.554 24.161 865 HD2 ARG 101 HD2 ARG 101 17.685 28.485 26.203 866 HD3 ARG 101 HD3 ARG 101 17.727 26.905 25.418 867 HE ARG 101 HE ARG 101 19.503 28.193 23.935 868 HH11 ARG 101 HH11 ARG 101 19.147 28.290 27.424 869 HH12 ARG 101 HH12 ARG 101 20.851 28.443 27.707 870 HH21 ARG 101 HH21 ARG 101 21.725 28.356 24.334 871 HH22 ARG 101 HH22 ARG 101 22.304 28.482 25.961 872 H GLU 102 H GLU 102 13.837 29.674 21.351 873 HA GLU 102 HA GLU 102 15.674 28.437 19.547 874 HB2 GLU 102 HB2 GLU 102 13.888 26.638 19.683 875 HB3 GLU 102 HB3 GLU 102 12.704 27.801 19.108 876 HG2 GLU 102 HG2 GLU 102 13.375 26.383 17.270 877 HG3 GLU 102 HG3 GLU 102 13.984 28.015 16.980 878 H SER 103 H SER 103 16.259 30.352 18.598 879 HA SER 103 HA SER 103 14.249 32.157 17.454 880 HB2 SER 103 HB2 SER 103 16.235 33.137 19.556 881 HB3 SER 103 HB3 SER 103 15.081 34.138 18.672 882 HG SER 103 HG SER 103 13.484 32.537 19.647 883 H LYS 104 H LYS 104 17.646 31.239 17.810 884 HA LYS 104 HA LYS 104 18.809 33.263 16.157 885 HB2 LYS 104 HB2 LYS 104 19.852 30.527 17.044 886 HB3 LYS 104 HB3 LYS 104 20.793 31.592 16.012 887 HG2 LYS 104 HG2 LYS 104 21.583 31.830 18.269 888 HG3 LYS 104 HG3 LYS 104 20.766 33.327 17.803 889 HD2 LYS 104 HD2 LYS 104 18.752 32.608 19.067 890 HD3 LYS 104 HD3 LYS 104 19.569 31.109 19.522 891 HE2 LYS 104 HE2 LYS 104 21.237 32.381 20.798 892 HE3 LYS 104 HE3 LYS 104 20.497 33.904 20.288 893 HZ1 LYS 104 HZ1 LYS 104 18.477 33.266 21.439 894 HZ2 LYS 104 HZ2 LYS 104 19.788 33.267 22.500 895 HZ3 LYS 104 HZ3 LYS 104 19.177 31.803 21.924 896 H LYS 105 H LYS 105 18.081 29.828 15.532 897 HA LYS 105 HA LYS 105 18.391 30.282 12.630 898 HB2 LYS 105 HB2 LYS 105 19.353 28.221 14.376 899 HB3 LYS 105 HB3 LYS 105 18.127 27.457 13.384 900 HG2 LYS 105 HG2 LYS 105 19.287 27.941 11.363 901 HG3 LYS 105 HG3 LYS 105 20.367 29.080 12.159 902 HD2 LYS 105 HD2 LYS 105 20.302 26.066 12.609 903 HD3 LYS 105 HD3 LYS 105 21.509 26.936 11.654 904 HE2 LYS 105 HE2 LYS 105 22.181 28.172 13.735 905 HE3 LYS 105 HE3 LYS 105 21.044 27.184 14.655 906 HZ1 LYS 105 HZ1 LYS 105 23.370 26.155 13.125 907 HZ2 LYS 105 HZ2 LYS 105 22.302 25.231 14.057 908 HZ3 LYS 105 HZ3 LYS 105 23.301 26.368 14.802 909 H LYS 106 H LYS 106 16.878 29.215 11.197 910 HA LYS 106 HA LYS 106 14.123 29.154 12.306 911 HB2 LYS 106 HB2 LYS 106 13.277 30.074 10.272 912 HB3 LYS 106 HB3 LYS 106 14.647 31.071 10.729 913 HG2 LYS 106 HG2 LYS 106 14.843 28.872 8.647 914 HG3 LYS 106 HG3 LYS 106 14.359 30.515 8.245 915 HD2 LYS 106 HD2 LYS 106 17.020 29.787 9.535 916 HD3 LYS 106 HD3 LYS 106 16.779 29.973 7.798 917 HE2 LYS 106 HE2 LYS 106 16.073 32.348 8.199 918 HE3 LYS 106 HE3 LYS 106 16.454 32.141 9.912 919 HZ1 LYS 106 HZ1 LYS 106 18.270 33.174 8.754 920 HZ2 LYS 106 HZ2 LYS 106 18.358 31.902 7.649 921 HZ3 LYS 106 HZ3 LYS 106 18.745 31.636 9.273 922 H LYS 107 H LYS 107 12.656 27.949 10.444 923 HA LYS 107 HA LYS 107 13.923 25.341 9.868 924 HB2 LYS 107 HB2 LYS 107 12.574 25.345 12.042 925 HB3 LYS 107 HB3 LYS 107 11.147 25.701 11.087 926 HG2 LYS 107 HG2 LYS 107 10.918 23.430 11.308 927 HG3 LYS 107 HG3 LYS 107 11.831 23.474 9.804 928 HD2 LYS 107 HD2 LYS 107 13.084 23.042 12.553 929 HD3 LYS 107 HD3 LYS 107 12.566 21.733 11.497 930 HE2 LYS 107 HE2 LYS 107 14.850 21.824 11.074 931 HE3 LYS 107 HE3 LYS 107 14.219 22.825 9.772 932 HZ1 LYS 107 HZ1 LYS 107 15.338 23.844 12.325 933 HZ2 LYS 107 HZ2 LYS 107 14.817 24.786 11.029 934 HZ3 LYS 107 HZ3 LYS 107 16.157 23.785 10.851 935 H LEU 108 H LEU 108 12.987 24.198 8.119 936 HA LEU 108 HA LEU 108 11.856 25.778 6.013 937 HB2 LEU 108 HB2 LEU 108 13.423 23.691 5.856 938 HB3 LEU 108 HB3 LEU 108 11.984 22.731 6.086 939 HG LEU 108 HG LEU 108 12.730 22.861 3.710 940 HD11 LEU 108 HD11 LEU 108 10.024 24.143 4.089 941 HD12 LEU 108 HD12 LEU 108 10.371 22.415 4.177 942 HD13 LEU 108 HD13 LEU 108 10.593 23.276 2.655 943 HD21 LEU 108 HD21 LEU 108 12.049 25.812 3.858 944 HD22 LEU 108 HD22 LEU 108 12.485 24.914 2.399 945 HD23 LEU 108 HD23 LEU 108 13.663 25.115 3.692 946 H TRP 109 H TRP 109 9.740 26.234 5.748 947 HA TRP 109 HA TRP 109 7.665 24.354 6.734 948 HB2 TRP 109 HB2 TRP 109 7.413 27.361 6.234 949 HB3 TRP 109 HB3 TRP 109 6.091 26.301 6.697 950 HD1 TRP 109 HD1 TRP 109 9.544 27.285 8.203 951 HE1 TRP 109 HE1 TRP 109 9.258 27.621 10.727 952 HE3 TRP 109 HE3 TRP 109 4.577 26.122 8.622 953 HZ2 TRP 109 HZ2 TRP 109 7.220 27.443 12.653 954 HZ3 TRP 109 HZ3 TRP 109 3.527 26.254 10.854 955 HH2 TRP 109 HH2 TRP 109 4.824 26.911 12.833 956 H MET 110 H MET 110 5.745 24.268 5.293 957 HA MET 110 HA MET 110 6.250 24.771 2.458 958 HB2 MET 110 HB2 MET 110 5.604 22.316 1.958 959 HB3 MET 110 HB3 MET 110 7.221 22.595 2.588 960 HG2 MET 110 HG2 MET 110 6.555 21.855 4.795 961 HG3 MET 110 HG3 MET 110 4.875 21.704 4.285 962 HE1 MET 110 HE1 MET 110 3.929 19.803 2.862 963 HE2 MET 110 HE2 MET 110 4.889 18.588 2.012 964 HE3 MET 110 HE3 MET 110 4.951 20.277 1.498 965 H ALA 111 H ALA 111 4.489 25.310 1.423 966 HA ALA 111 HA ALA 111 1.897 25.247 2.828 967 HB1 ALA 111 HB1 ALA 111 2.939 27.040 0.605 968 HB2 ALA 111 HB2 ALA 111 2.734 27.468 2.303 969 HB3 ALA 111 HB3 ALA 111 1.320 27.129 1.310 970 H ILE 112 H ILE 112 0.935 23.410 2.206 971 HA ILE 112 HA ILE 112 1.166 22.271 -0.453 972 HB ILE 112 HB ILE 112 -0.664 21.375 1.829 973 HG12 ILE 112 HG12 ILE 112 2.187 20.388 1.329 974 HG13 ILE 112 HG13 ILE 112 1.735 21.521 2.601 975 HG21 ILE 112 HG21 ILE 112 -0.562 19.158 0.739 976 HG22 ILE 112 HG22 ILE 112 0.452 19.828 -0.540 977 HG23 ILE 112 HG23 ILE 112 -1.210 20.387 -0.348 978 HD11 ILE 112 HD11 ILE 112 0.769 18.665 2.364 979 HD12 ILE 112 HD12 ILE 112 0.336 19.803 3.644 980 HD13 ILE 112 HD13 ILE 112 2.006 19.270 3.465 981 H GLU 113 H GLU 113 -0.181 22.883 -2.103 982 HA GLU 113 HA GLU 113 -2.480 24.599 -1.545 983 HB2 GLU 113 HB2 GLU 113 -1.014 25.188 -3.419 984 HB3 GLU 113 HB3 GLU 113 -1.267 23.612 -4.162 985 HG2 GLU 113 HG2 GLU 113 -3.629 24.167 -4.580 986 HG3 GLU 113 HG3 GLU 113 -3.416 25.727 -3.780 987 H LEU 114 H LEU 114 -4.090 23.374 -0.638 988 HA LEU 114 HA LEU 114 -4.964 20.851 -1.788 989 HB2 LEU 114 HB2 LEU 114 -5.832 22.530 0.584 990 HB3 LEU 114 HB3 LEU 114 -6.926 21.303 -0.031 991 HG LEU 114 HG LEU 114 -5.678 20.377 1.827 992 HD11 LEU 114 HD11 LEU 114 -6.221 18.838 0.057 993 HD12 LEU 114 HD12 LEU 114 -4.665 18.414 0.741 994 HD13 LEU 114 HD13 LEU 114 -4.743 19.230 -0.820 995 HD21 LEU 114 HD21 LEU 114 -3.692 21.798 1.792 996 HD22 LEU 114 HD22 LEU 114 -3.140 21.027 0.301 997 HD23 LEU 114 HD23 LEU 114 -3.239 20.090 1.795 998 H GLU 115 H GLU 115 -6.544 20.579 -3.262 999 HA GLU 115 HA GLU 115 -8.471 22.733 -3.827 1000 HB2 GLU 115 HB2 GLU 115 -8.036 22.723 -6.192 1001 HB3 GLU 115 HB3 GLU 115 -6.480 22.922 -5.399 1002 HG2 GLU 115 HG2 GLU 115 -5.909 21.415 -7.034 1003 HG3 GLU 115 HG3 GLU 115 -6.297 20.307 -5.721 1004 H ASP 116 H ASP 116 -10.311 21.977 -5.077 1005 HA ASP 116 HA ASP 116 -12.172 20.690 -5.226 1006 HB2 ASP 116 HB2 ASP 116 -10.722 19.674 -7.030 1007 HB3 ASP 116 HB3 ASP 116 -10.185 18.466 -5.866 1008 H VAL 117 H VAL 117 -11.654 21.117 -2.694 1009 HA VAL 117 HA VAL 117 -11.136 18.804 -1.119 1010 HB VAL 117 HB VAL 117 -12.364 21.414 -0.144 1011 HG11 VAL 117 HG11 VAL 117 -11.472 20.720 2.043 1012 HG12 VAL 117 HG12 VAL 117 -10.824 19.239 1.339 1013 HG13 VAL 117 HG13 VAL 117 -12.571 19.492 1.420 1014 HG21 VAL 117 HG21 VAL 117 -9.422 20.643 -0.342 1015 HG22 VAL 117 HG22 VAL 117 -10.053 22.100 0.429 1016 HG23 VAL 117 HG23 VAL 117 -10.234 21.875 -1.313 1017 H LYS 118 H LYS 118 -12.498 17.205 -1.212 1018 HA LYS 118 HA LYS 118 -15.354 17.553 -1.616 1019 HB2 LYS 118 HB2 LYS 118 -13.608 15.817 -2.706 1020 HB3 LYS 118 HB3 LYS 118 -14.017 14.858 -1.295 1021 HG2 LYS 118 HG2 LYS 118 -15.357 14.209 -3.225 1022 HG3 LYS 118 HG3 LYS 118 -16.382 14.865 -1.946 1023 HD2 LYS 118 HD2 LYS 118 -17.025 15.627 -4.252 1024 HD3 LYS 118 HD3 LYS 118 -16.664 16.954 -3.148 1025 HE2 LYS 118 HE2 LYS 118 -15.725 17.306 -5.427 1026 HE3 LYS 118 HE3 LYS 118 -14.477 17.272 -4.186 1027 HZ1 LYS 118 HZ1 LYS 118 -13.945 15.014 -4.809 1028 HZ2 LYS 118 HZ2 LYS 118 -13.856 16.017 -6.169 1029 HZ3 LYS 118 HZ3 LYS 118 -15.190 15.002 -5.956 1030 H LYS 119 H LYS 119 -16.933 16.545 -0.250 1031 HA LYS 119 HA LYS 119 -16.130 16.229 2.582 1032 HB2 LYS 119 HB2 LYS 119 -18.511 17.439 1.223 1033 HB3 LYS 119 HB3 LYS 119 -18.878 16.516 2.668 1034 HG2 LYS 119 HG2 LYS 119 -16.828 18.754 2.615 1035 HG3 LYS 119 HG3 LYS 119 -18.525 19.015 3.006 1036 HD2 LYS 119 HD2 LYS 119 -16.525 17.293 4.549 1037 HD3 LYS 119 HD3 LYS 119 -17.223 18.829 5.069 1038 HE2 LYS 119 HE2 LYS 119 -19.493 17.709 5.065 1039 HE3 LYS 119 HE3 LYS 119 -18.675 16.186 4.721 1040 HZ1 LYS 119 HZ1 LYS 119 -19.173 16.458 7.055 1041 HZ2 LYS 119 HZ2 LYS 119 -18.209 17.850 7.114 1042 HZ3 LYS 119 HZ3 LYS 119 -17.507 16.347 6.779 1043 H TYR 120 H TYR 120 -16.495 14.332 3.612 1044 HA TYR 120 HA TYR 120 -17.789 12.121 2.219 1045 HB2 TYR 120 HB2 TYR 120 -16.383 12.288 4.910 1046 HB3 TYR 120 HB3 TYR 120 -17.220 10.837 4.358 1047 HD1 TYR 120 HD1 TYR 120 -16.302 11.245 1.328 1048 HD2 TYR 120 HD2 TYR 120 -14.233 11.160 5.052 1049 HE1 TYR 120 HE1 TYR 120 -14.263 10.490 0.179 1050 HE2 TYR 120 HE2 TYR 120 -12.204 10.395 3.915 1051 HH TYR 120 HH TYR 120 -11.869 10.398 0.497 1052 H ASP 121 H ASP 121 -19.785 13.045 2.019 1053 HA ASP 121 HA ASP 121 -21.622 13.770 4.004 1054 HB2 ASP 121 HB2 ASP 121 -22.037 14.213 1.649 1055 HB3 ASP 121 HB3 ASP 121 -21.926 12.505 1.240 1056 H LYS 122 H LYS 122 -20.692 10.653 2.664 1057 HA LYS 122 HA LYS 122 -22.487 9.071 4.302 1058 HB2 LYS 122 HB2 LYS 122 -21.362 7.147 3.212 1059 HB3 LYS 122 HB3 LYS 122 -21.911 8.340 2.041 1060 HG2 LYS 122 HG2 LYS 122 -19.530 9.233 1.967 1061 HG3 LYS 122 HG3 LYS 122 -19.055 7.857 2.967 1062 HD2 LYS 122 HD2 LYS 122 -18.589 7.387 0.607 1063 HD3 LYS 122 HD3 LYS 122 -19.855 6.306 1.201 1064 HE2 LYS 122 HE2 LYS 122 -21.577 7.736 0.136 1065 HE3 LYS 122 HE3 LYS 122 -20.321 8.833 -0.443 1066 HZ1 LYS 122 HZ1 LYS 122 -19.430 7.037 -1.779 1067 HZ2 LYS 122 HZ2 LYS 122 -21.055 7.312 -2.155 1068 HZ3 LYS 122 HZ3 LYS 122 -20.617 5.981 -1.212 1069 HA PRO 123 HA PRO 123 -19.610 8.640 7.758 1070 HB2 PRO 123 HB2 PRO 123 -20.599 6.420 8.975 1071 HB3 PRO 123 HB3 PRO 123 -21.484 7.953 8.960 1072 HG2 PRO 123 HG2 PRO 123 -21.861 5.528 7.204 1073 HG3 PRO 123 HG3 PRO 123 -23.091 6.521 8.014 1074 HD2 PRO 123 HD2 PRO 123 -22.434 6.822 5.369 1075 HD3 PRO 123 HD3 PRO 123 -23.035 8.160 6.373 1076 H ILE 124 H ILE 124 -17.518 8.120 7.277 1077 HA ILE 124 HA ILE 124 -16.857 5.322 6.523 1078 HB ILE 124 HB ILE 124 -15.129 7.799 6.007 1079 HG12 ILE 124 HG12 ILE 124 -16.920 6.230 4.090 1080 HG13 ILE 124 HG13 ILE 124 -17.100 7.917 4.550 1081 HG21 ILE 124 HG21 ILE 124 -13.733 6.273 4.638 1082 HG22 ILE 124 HG22 ILE 124 -14.772 4.916 5.073 1083 HG23 ILE 124 HG23 ILE 124 -13.813 5.725 6.315 1084 HD11 ILE 124 HD11 ILE 124 -16.227 7.735 2.320 1085 HD12 ILE 124 HD12 ILE 124 -14.891 6.729 2.872 1086 HD13 ILE 124 HD13 ILE 124 -14.986 8.421 3.368 1087 H LYS 125 H LYS 125 -15.581 4.211 7.853 1088 HA LYS 125 HA LYS 125 -14.823 5.385 10.439 1089 HB2 LYS 125 HB2 LYS 125 -14.813 3.134 11.341 1090 HB3 LYS 125 HB3 LYS 125 -16.309 3.358 10.463 1091 HG2 LYS 125 HG2 LYS 125 -14.213 2.094 8.802 1092 HG3 LYS 125 HG3 LYS 125 -14.563 1.178 10.260 1093 HD2 LYS 125 HD2 LYS 125 -15.963 0.281 8.531 1094 HD3 LYS 125 HD3 LYS 125 -17.016 1.199 9.604 1095 HE2 LYS 125 HE2 LYS 125 -17.139 3.023 8.010 1096 HE3 LYS 125 HE3 LYS 125 -15.917 2.279 6.982 1097 HZ1 LYS 125 HZ1 LYS 125 -18.049 1.902 6.049 1098 HZ2 LYS 125 HZ2 LYS 125 -18.660 1.287 7.497 1099 HZ3 LYS 125 HZ3 LYS 125 -17.488 0.421 6.641 1100 HA PRO 126 HA PRO 126 -10.516 4.993 9.207 1101 HB2 PRO 126 HB2 PRO 126 -9.522 5.203 11.918 1102 HB3 PRO 126 HB3 PRO 126 -9.657 6.480 10.709 1103 HG2 PRO 126 HG2 PRO 126 -11.166 6.326 13.042 1104 HG3 PRO 126 HG3 PRO 126 -11.581 7.300 11.621 1105 HD2 PRO 126 HD2 PRO 126 -12.653 4.621 12.472 1106 HD3 PRO 126 HD3 PRO 126 -13.483 5.987 11.688 1107 H LYS 127 H LYS 127 -9.352 3.251 8.735 1108 HA LYS 127 HA LYS 127 -9.570 0.705 9.965 1109 HB2 LYS 127 HB2 LYS 127 -8.863 1.075 7.594 1110 HB3 LYS 127 HB3 LYS 127 -7.366 1.804 8.153 1111 HG2 LYS 127 HG2 LYS 127 -6.924 -0.460 7.431 1112 HG3 LYS 127 HG3 LYS 127 -6.712 -0.365 9.183 1113 HD2 LYS 127 HD2 LYS 127 -9.017 -1.337 9.466 1114 HD3 LYS 127 HD3 LYS 127 -9.130 -1.502 7.710 1115 HE2 LYS 127 HE2 LYS 127 -7.182 -3.044 7.751 1116 HE3 LYS 127 HE3 LYS 127 -7.102 -2.888 9.508 1117 HZ1 LYS 127 HZ1 LYS 127 -9.300 -3.867 9.653 1118 HZ2 LYS 127 HZ2 LYS 127 -8.247 -4.895 8.825 1119 HZ3 LYS 127 HZ3 LYS 127 -9.393 -3.993 7.974 1120 H ARG 128 H ARG 128 -7.676 3.502 10.687 1121 HA ARG 128 HA ARG 128 -6.332 2.234 12.952 1122 HB2 ARG 128 HB2 ARG 128 -4.116 3.101 12.325 1123 HB3 ARG 128 HB3 ARG 128 -4.714 2.008 11.080 1124 HG2 ARG 128 HG2 ARG 128 -5.315 3.905 9.647 1125 HG3 ARG 128 HG3 ARG 128 -4.827 5.039 10.916 1126 HD2 ARG 128 HD2 ARG 128 -3.122 4.778 9.108 1127 HD3 ARG 128 HD3 ARG 128 -2.514 4.383 10.719 1128 HE ARG 128 HE ARG 128 -3.460 2.144 9.091 1129 HH11 ARG 128 HH11 ARG 128 -0.678 3.977 10.238 1130 HH12 ARG 128 HH12 ARG 128 0.448 2.718 9.857 1131 HH21 ARG 128 HH21 ARG 128 -1.979 0.519 8.620 1132 HH22 ARG 128 HH22 ARG 128 -0.291 0.751 8.935 1133 H LEU 129 H LEU 129 -5.278 3.865 14.326 1134 HA LEU 129 HA LEU 129 -6.820 6.291 14.605 1135 HB2 LEU 129 HB2 LEU 129 -5.713 6.659 16.674 1136 HB3 LEU 129 HB3 LEU 129 -6.008 4.937 16.594 1137 HG LEU 129 HG LEU 129 -3.296 6.241 16.074 1138 HD11 LEU 129 HD11 LEU 129 -2.634 5.423 18.286 1139 HD12 LEU 129 HD12 LEU 129 -4.272 4.830 18.579 1140 HD13 LEU 129 HD13 LEU 129 -3.975 6.562 18.401 1141 HD21 LEU 129 HD21 LEU 129 -3.499 4.085 14.933 1142 HD22 LEU 129 HD22 LEU 129 -3.994 3.306 16.439 1143 HD23 LEU 129 HD23 LEU 129 -2.365 3.973 16.281 1144 H VAL 130 H VAL 130 -6.187 8.322 14.017 1145 HA VAL 130 HA VAL 130 -3.539 8.666 12.731 1146 HB VAL 130 HB VAL 130 -6.050 10.275 12.116 1147 HG11 VAL 130 HG11 VAL 130 -3.350 10.199 10.712 1148 HG12 VAL 130 HG12 VAL 130 -4.002 11.534 11.667 1149 HG13 VAL 130 HG13 VAL 130 -4.769 11.091 10.142 1150 HG21 VAL 130 HG21 VAL 130 -6.385 7.945 11.372 1151 HG22 VAL 130 HG22 VAL 130 -4.862 7.993 10.478 1152 HG23 VAL 130 HG23 VAL 130 -6.210 9.022 9.984 1153 HA PRO 131 HA PRO 131 -3.190 11.298 16.476 1154 HB2 PRO 131 HB2 PRO 131 -0.490 11.416 16.584 1155 HB3 PRO 131 HB3 PRO 131 -1.351 9.914 16.963 1156 HG2 PRO 131 HG2 PRO 131 -0.031 10.733 14.362 1157 HG3 PRO 131 HG3 PRO 131 0.142 9.209 15.265 1158 HD2 PRO 131 HD2 PRO 131 -1.563 9.449 13.151 1159 HD3 PRO 131 HD3 PRO 131 -1.913 8.383 14.531 1160 H VAL 132 H VAL 132 -1.641 13.312 16.914 1161 HA VAL 132 HA VAL 132 -2.341 15.446 15.201 1162 HB VAL 132 HB VAL 132 -0.142 15.354 17.331 1163 HG11 VAL 132 HG11 VAL 132 -0.341 17.836 17.423 1164 HG12 VAL 132 HG12 VAL 132 -1.477 17.795 16.073 1165 HG13 VAL 132 HG13 VAL 132 0.195 17.289 15.832 1166 HG21 VAL 132 HG21 VAL 132 -3.051 16.252 17.568 1167 HG22 VAL 132 HG22 VAL 132 -1.843 16.340 18.852 1168 HG23 VAL 132 HG23 VAL 132 -2.366 14.769 18.243 1169 H GLY 133 H GLY 133 0.567 13.474 15.427 1170 HA2 GLY 133 HA2 GLY 133 2.173 14.789 13.489 1171 HA3 GLY 133 HA3 GLY 133 2.344 13.127 14.033 1172 H GLY 134 H GLY 134 -0.471 12.532 13.223 1173 HA2 GLY 134 HA2 GLY 134 -1.817 12.134 11.399 1174 HA3 GLY 134 HA3 GLY 134 -0.668 12.957 10.358 1175 H GLN 135 H GLN 135 -1.858 10.692 9.470 1176 HA GLN 135 HA GLN 135 0.292 8.632 9.485 1177 HB2 GLN 135 HB2 GLN 135 -2.709 8.252 8.999 1178 HB3 GLN 135 HB3 GLN 135 -1.503 6.992 8.767 1179 HG2 GLN 135 HG2 GLN 135 -2.181 8.328 11.403 1180 HG3 GLN 135 HG3 GLN 135 -2.747 6.745 10.873 1181 HE21 GLN 135 HE21 GLN 135 -0.021 8.573 12.010 1182 HE22 GLN 135 HE22 GLN 135 0.982 7.229 12.400 1183 H TYR 136 H TYR 136 0.898 7.800 7.447 1184 HA TYR 136 HA TYR 136 0.048 9.305 5.082 1185 HB2 TYR 136 HB2 TYR 136 2.326 7.404 5.660 1186 HB3 TYR 136 HB3 TYR 136 1.760 7.520 3.997 1187 HD1 TYR 136 HD1 TYR 136 1.595 9.885 2.947 1188 HD2 TYR 136 HD2 TYR 136 3.888 9.061 6.462 1189 HE1 TYR 136 HE1 TYR 136 2.905 11.924 2.564 1190 HE2 TYR 136 HE2 TYR 136 5.198 11.110 6.079 1191 HH TYR 136 HH TYR 136 4.298 13.487 3.783 1192 H LEU 137 H LEU 137 -1.456 8.631 3.741 1193 HA LEU 137 HA LEU 137 -2.683 5.996 4.021 1194 HB2 LEU 137 HB2 LEU 137 -3.838 8.422 3.626 1195 HB3 LEU 137 HB3 LEU 137 -3.602 7.991 1.945 1196 HG LEU 137 HG LEU 137 -5.272 6.463 3.994 1197 HD11 LEU 137 HD11 LEU 137 -6.328 8.508 3.211 1198 HD12 LEU 137 HD12 LEU 137 -7.177 7.095 2.586 1199 HD13 LEU 137 HD13 LEU 137 -6.099 8.015 1.530 1200 HD21 LEU 137 HD21 LEU 137 -5.976 4.964 2.172 1201 HD22 LEU 137 HD22 LEU 137 -4.248 4.827 2.474 1202 HD23 LEU 137 HD23 LEU 137 -4.825 5.734 1.076 1203 H ARG 138 H ARG 138 -1.861 4.378 2.835 1204 HA ARG 138 HA ARG 138 -0.874 4.910 0.109 1205 HB2 ARG 138 HB2 ARG 138 0.927 3.303 0.357 1206 HB3 ARG 138 HB3 ARG 138 1.102 4.534 1.576 1207 HG2 ARG 138 HG2 ARG 138 -0.131 1.842 2.167 1208 HG3 ARG 138 HG3 ARG 138 1.613 2.101 2.215 1209 HD2 ARG 138 HD2 ARG 138 -0.317 3.753 3.890 1210 HD3 ARG 138 HD3 ARG 138 0.411 2.245 4.459 1211 HE ARG 138 HE ARG 138 2.425 4.000 3.498 1212 HH11 ARG 138 HH11 ARG 138 0.273 3.675 6.275 1213 HH12 ARG 138 HH12 ARG 138 1.394 4.422 7.361 1214 HH21 ARG 138 HH21 ARG 138 3.859 4.931 4.928 1215 HH22 ARG 138 HH22 ARG 138 3.440 5.127 6.599 1216 H GLU 139 H GLU 139 -2.080 3.847 -1.366 1217 HA GLU 139 HA GLU 139 -3.988 1.828 -0.276 1218 HB2 GLU 139 HB2 GLU 139 -4.850 3.959 -1.385 1219 HB3 GLU 139 HB3 GLU 139 -4.218 3.344 -2.903 1220 HG2 GLU 139 HG2 GLU 139 -6.566 2.876 -2.836 1221 HG3 GLU 139 HG3 GLU 139 -5.700 1.349 -2.679 Start of MODEL 7 1 H MET 1 H MET 1 2.114 -1.730 -1.066 2 HA MET 1 HA MET 1 2.901 -0.362 -2.870 3 HB2 MET 1 HB2 MET 1 0.540 0.736 -1.291 4 HB3 MET 1 HB3 MET 1 0.917 1.250 -2.934 5 HG2 MET 1 HG2 MET 1 0.213 -1.568 -2.072 6 HG3 MET 1 HG3 MET 1 -0.835 -0.441 -2.940 7 HE1 MET 1 HE1 MET 1 -1.268 -2.297 -4.891 8 HE2 MET 1 HE2 MET 1 -0.264 -3.416 -3.967 9 HE3 MET 1 HE3 MET 1 0.050 -3.161 -5.683 10 H SER 2 H SER 2 4.689 0.807 -3.017 11 HA SER 2 HA SER 2 5.433 2.939 -1.222 12 HB2 SER 2 HB2 SER 2 6.691 2.126 -3.885 13 HB3 SER 2 HB3 SER 2 7.452 3.096 -2.617 14 HG SER 2 HG SER 2 7.949 0.743 -2.731 15 H LYS 3 H LYS 3 3.483 2.713 -4.003 16 HA LYS 3 HA LYS 3 3.832 5.191 -5.281 17 HB2 LYS 3 HB2 LYS 3 1.524 4.836 -6.170 18 HB3 LYS 3 HB3 LYS 3 2.538 3.410 -6.335 19 HG2 LYS 3 HG2 LYS 3 1.423 2.274 -4.552 20 HG3 LYS 3 HG3 LYS 3 0.590 3.739 -4.030 21 HD2 LYS 3 HD2 LYS 3 0.110 2.368 -6.707 22 HD3 LYS 3 HD3 LYS 3 -0.857 2.076 -5.259 23 HE2 LYS 3 HE2 LYS 3 -1.422 4.532 -5.223 24 HE3 LYS 3 HE3 LYS 3 -0.592 4.699 -6.775 25 HZ1 LYS 3 HZ1 LYS 3 -2.963 4.453 -7.062 26 HZ2 LYS 3 HZ2 LYS 3 -2.953 2.987 -6.218 27 HZ3 LYS 3 HZ3 LYS 3 -2.167 3.108 -7.714 28 H ILE 4 H ILE 4 2.340 4.434 -2.238 29 HA ILE 4 HA ILE 4 1.101 5.517 -0.694 30 HB ILE 4 HB ILE 4 2.014 8.132 -2.018 31 HG12 ILE 4 HG12 ILE 4 3.987 6.681 -1.601 32 HG13 ILE 4 HG13 ILE 4 4.014 8.086 -0.543 33 HG21 ILE 4 HG21 ILE 4 0.361 8.625 -0.298 34 HG22 ILE 4 HG22 ILE 4 1.944 9.087 0.318 35 HG23 ILE 4 HG23 ILE 4 1.186 7.591 0.868 36 HD11 ILE 4 HD11 ILE 4 3.174 6.670 1.303 37 HD12 ILE 4 HD12 ILE 4 4.711 6.112 0.645 38 HD13 ILE 4 HD13 ILE 4 3.220 5.276 0.218 39 H VAL 5 H VAL 5 -0.855 7.501 -0.773 40 HA VAL 5 HA VAL 5 -1.706 8.069 -3.501 41 HB VAL 5 HB VAL 5 -4.197 8.043 -2.774 42 HG11 VAL 5 HG11 VAL 5 -4.578 5.730 -3.485 43 HG12 VAL 5 HG12 VAL 5 -2.865 5.357 -3.238 44 HG13 VAL 5 HG13 VAL 5 -3.348 6.517 -4.477 45 HG21 VAL 5 HG21 VAL 5 -3.197 6.066 -0.698 46 HG22 VAL 5 HG22 VAL 5 -4.890 6.388 -1.088 47 HG23 VAL 5 HG23 VAL 5 -3.894 7.655 -0.372 48 H GLY 6 H GLY 6 -2.001 8.663 -0.021 49 HA2 GLY 6 HA2 GLY 6 -1.375 11.432 -0.322 50 HA3 GLY 6 HA3 GLY 6 -3.071 11.176 0.076 51 H VAL 7 H VAL 7 -2.493 12.438 1.962 52 HA VAL 7 HA VAL 7 -1.657 10.677 4.180 53 HB VAL 7 HB VAL 7 0.128 12.408 3.730 54 HG11 VAL 7 HG11 VAL 7 -1.264 14.278 2.946 55 HG12 VAL 7 HG12 VAL 7 -0.235 14.776 4.288 56 HG13 VAL 7 HG13 VAL 7 -1.951 14.465 4.563 57 HG21 VAL 7 HG21 VAL 7 0.422 13.121 6.088 58 HG22 VAL 7 HG22 VAL 7 -0.084 11.434 5.976 59 HG23 VAL 7 HG23 VAL 7 -1.254 12.675 6.430 60 H THR 8 H THR 8 -2.863 10.960 6.093 61 HA THR 8 HA THR 8 -5.273 12.639 5.926 62 HB THR 8 HB THR 8 -6.037 10.355 5.665 63 HG1 THR 8 HG1 THR 8 -7.357 11.605 6.983 64 HG21 THR 8 HG21 THR 8 -4.133 9.115 6.610 65 HG22 THR 8 HG22 THR 8 -5.650 8.587 7.341 66 HG23 THR 8 HG23 THR 8 -4.567 9.659 8.231 67 H TYR 9 H TYR 9 -5.676 13.903 7.651 68 HA TYR 9 HA TYR 9 -4.013 13.664 10.079 69 HB2 TYR 9 HB2 TYR 9 -4.328 16.037 8.250 70 HB3 TYR 9 HB3 TYR 9 -4.336 16.375 9.972 71 HD1 TYR 9 HD1 TYR 9 -2.251 15.054 7.180 72 HD2 TYR 9 HD2 TYR 9 -2.322 16.263 11.280 73 HE1 TYR 9 HE1 TYR 9 0.210 15.068 7.226 74 HE2 TYR 9 HE2 TYR 9 0.129 16.278 11.320 75 HH TYR 9 HH TYR 9 1.987 15.090 10.008 76 HA PRO 10 HA PRO 10 -7.933 14.060 12.334 77 HB2 PRO 10 HB2 PRO 10 -6.244 15.561 14.323 78 HB3 PRO 10 HB3 PRO 10 -7.317 14.179 14.579 79 HG2 PRO 10 HG2 PRO 10 -4.659 13.861 14.573 80 HG3 PRO 10 HG3 PRO 10 -5.720 12.635 13.849 81 HD2 PRO 10 HD2 PRO 10 -4.044 14.734 12.488 82 HD3 PRO 10 HD3 PRO 10 -4.356 13.052 12.013 83 H ILE 11 H ILE 11 -5.712 16.709 11.772 84 HA ILE 11 HA ILE 11 -5.863 18.864 11.199 85 HB ILE 11 HB ILE 11 -8.832 18.326 10.756 86 HG12 ILE 11 HG12 ILE 11 -7.333 16.995 9.267 87 HG13 ILE 11 HG13 ILE 11 -8.272 18.172 8.358 88 HG21 ILE 11 HG21 ILE 11 -8.496 20.731 11.090 89 HG22 ILE 11 HG22 ILE 11 -8.865 20.404 9.397 90 HG23 ILE 11 HG23 ILE 11 -7.203 20.745 9.885 91 HD11 ILE 11 HD11 ILE 11 -5.376 18.479 9.156 92 HD12 ILE 11 HD12 ILE 11 -6.320 19.627 8.200 93 HD13 ILE 11 HD13 ILE 11 -5.979 18.019 7.565 94 HA PRO 12 HA PRO 12 -6.643 20.908 15.223 95 HB2 PRO 12 HB2 PRO 12 -6.523 23.536 14.151 96 HB3 PRO 12 HB3 PRO 12 -5.167 22.618 14.813 97 HG2 PRO 12 HG2 PRO 12 -6.033 22.934 11.949 98 HG3 PRO 12 HG3 PRO 12 -4.392 22.912 12.629 99 HD2 PRO 12 HD2 PRO 12 -5.342 20.767 11.368 100 HD3 PRO 12 HD3 PRO 12 -4.386 20.560 12.857 101 H LYS 13 H LYS 13 -8.489 21.597 16.228 102 HA LYS 13 HA LYS 13 -10.927 21.056 14.895 103 HB2 LYS 13 HB2 LYS 13 -12.013 21.436 17.053 104 HB3 LYS 13 HB3 LYS 13 -10.555 20.474 17.257 105 HG2 LYS 13 HG2 LYS 13 -9.341 22.449 18.086 106 HG3 LYS 13 HG3 LYS 13 -10.779 23.448 17.848 107 HD2 LYS 13 HD2 LYS 13 -10.513 21.107 19.784 108 HD3 LYS 13 HD3 LYS 13 -10.533 22.817 20.218 109 HE2 LYS 13 HE2 LYS 13 -12.868 22.973 19.323 110 HE3 LYS 13 HE3 LYS 13 -12.835 21.239 19.000 111 HZ1 LYS 13 HZ1 LYS 13 -12.586 22.521 21.671 112 HZ2 LYS 13 HZ2 LYS 13 -12.518 20.855 21.374 113 HZ3 LYS 13 HZ3 LYS 13 -13.945 21.711 21.068 114 H ARG 14 H ARG 14 -9.304 24.048 15.615 115 HA ARG 14 HA ARG 14 -11.437 25.899 15.263 116 HB2 ARG 14 HB2 ARG 14 -8.477 26.270 14.621 117 HB3 ARG 14 HB3 ARG 14 -9.652 27.564 14.810 118 HG2 ARG 14 HG2 ARG 14 -9.862 27.038 17.205 119 HG3 ARG 14 HG3 ARG 14 -8.735 25.686 17.016 120 HD2 ARG 14 HD2 ARG 14 -6.987 27.294 16.250 121 HD3 ARG 14 HD3 ARG 14 -8.105 28.628 16.547 122 HE ARG 14 HE ARG 14 -7.899 27.226 18.934 123 HH11 ARG 14 HH11 ARG 14 -5.732 29.060 16.838 124 HH12 ARG 14 HH12 ARG 14 -4.695 29.540 18.140 125 HH21 ARG 14 HH21 ARG 14 -6.495 27.863 20.619 126 HH22 ARG 14 HH22 ARG 14 -5.118 28.852 20.262 127 H PHE 15 H PHE 15 -9.395 24.100 13.037 128 HA PHE 15 HA PHE 15 -10.128 25.853 10.760 129 HB2 PHE 15 HB2 PHE 15 -7.557 24.249 11.094 130 HB3 PHE 15 HB3 PHE 15 -7.902 25.465 9.867 131 HD1 PHE 15 HD1 PHE 15 -8.770 27.823 11.090 132 HD2 PHE 15 HD2 PHE 15 -6.019 24.976 12.680 133 HE1 PHE 15 HE1 PHE 15 -7.787 29.557 12.530 134 HE2 PHE 15 HE2 PHE 15 -5.042 26.708 14.114 135 HZ PHE 15 HZ PHE 15 -5.927 28.996 14.037 136 H MET 16 H MET 16 -11.148 23.059 11.858 137 HA MET 16 HA MET 16 -10.630 21.085 9.910 138 HB2 MET 16 HB2 MET 16 -11.661 20.569 12.102 139 HB3 MET 16 HB3 MET 16 -13.115 21.447 11.645 140 HG2 MET 16 HG2 MET 16 -13.463 19.785 9.794 141 HG3 MET 16 HG3 MET 16 -12.082 18.876 10.405 142 HE1 MET 16 HE1 MET 16 -14.855 20.765 12.537 143 HE2 MET 16 HE2 MET 16 -16.028 19.469 12.761 144 HE3 MET 16 HE3 MET 16 -15.742 20.130 11.150 145 H ASP 17 H ASP 17 -13.038 23.653 10.064 146 HA ASP 17 HA ASP 17 -14.618 22.720 7.834 147 HB2 ASP 17 HB2 ASP 17 -16.065 24.588 8.306 148 HB3 ASP 17 HB3 ASP 17 -15.560 23.920 9.854 149 H ARG 18 H ARG 18 -11.798 24.697 8.111 150 HA ARG 18 HA ARG 18 -12.199 26.801 6.319 151 HB2 ARG 18 HB2 ARG 18 -9.630 25.246 6.821 152 HB3 ARG 18 HB3 ARG 18 -9.712 26.798 5.992 153 HG2 ARG 18 HG2 ARG 18 -10.396 26.265 8.891 154 HG3 ARG 18 HG3 ARG 18 -8.959 27.073 8.275 155 HD2 ARG 18 HD2 ARG 18 -10.109 28.986 8.684 156 HD3 ARG 18 HD3 ARG 18 -10.959 28.634 7.180 157 HE ARG 18 HE ARG 18 -12.500 27.320 8.902 158 HH11 ARG 18 HH11 ARG 18 -11.197 30.592 9.158 159 HH12 ARG 18 HH12 ARG 18 -12.464 31.131 10.203 160 HH21 ARG 18 HH21 ARG 18 -14.119 28.057 10.283 161 HH22 ARG 18 HH22 ARG 18 -14.111 29.696 10.861 162 H PHE 19 H PHE 19 -10.958 23.572 5.633 163 HA PHE 19 HA PHE 19 -10.376 23.922 2.881 164 HB2 PHE 19 HB2 PHE 19 -10.998 21.317 4.353 165 HB3 PHE 19 HB3 PHE 19 -10.099 21.470 2.849 166 HD1 PHE 19 HD1 PHE 19 -9.950 21.948 6.520 167 HD2 PHE 19 HD2 PHE 19 -7.747 22.115 2.856 168 HE1 PHE 19 HE1 PHE 19 -7.842 22.060 7.784 169 HE2 PHE 19 HE2 PHE 19 -5.647 22.218 4.131 170 HZ PHE 19 HZ PHE 19 -5.698 22.198 6.586 171 H PHE 20 H PHE 20 -13.281 23.062 4.635 172 HA PHE 20 HA PHE 20 -14.750 22.156 2.253 173 HB2 PHE 20 HB2 PHE 20 -15.685 22.318 5.155 174 HB3 PHE 20 HB3 PHE 20 -16.479 21.454 3.841 175 HD1 PHE 20 HD1 PHE 20 -14.903 19.656 2.625 176 HD2 PHE 20 HD2 PHE 20 -14.389 21.042 6.631 177 HE1 PHE 20 HE1 PHE 20 -13.668 17.612 3.175 178 HE2 PHE 20 HE2 PHE 20 -13.150 18.990 7.173 179 HZ PHE 20 HZ PHE 20 -12.790 17.274 5.448 180 H LYS 21 H LYS 21 -14.209 25.006 3.983 181 HA LYS 21 HA LYS 21 -16.773 26.285 3.626 182 HB2 LYS 21 HB2 LYS 21 -15.321 26.822 5.542 183 HB3 LYS 21 HB3 LYS 21 -14.035 27.343 4.470 184 HG2 LYS 21 HG2 LYS 21 -16.687 28.782 4.386 185 HG3 LYS 21 HG3 LYS 21 -15.588 29.091 5.730 186 HD2 LYS 21 HD2 LYS 21 -13.813 29.748 4.102 187 HD3 LYS 21 HD3 LYS 21 -14.948 29.485 2.774 188 HE2 LYS 21 HE2 LYS 21 -15.273 31.533 5.000 189 HE3 LYS 21 HE3 LYS 21 -14.757 31.879 3.349 190 HZ1 LYS 21 HZ1 LYS 21 -17.399 30.763 4.131 191 HZ2 LYS 21 HZ2 LYS 21 -16.903 31.101 2.551 192 HZ3 LYS 21 HZ3 LYS 21 -17.099 32.361 3.664 193 H LYS 22 H LYS 22 -13.511 26.591 2.222 194 HA LYS 22 HA LYS 22 -14.591 28.241 0.007 195 HB2 LYS 22 HB2 LYS 22 -12.214 28.882 -0.354 196 HB3 LYS 22 HB3 LYS 22 -12.792 29.251 1.267 197 HG2 LYS 22 HG2 LYS 22 -11.704 26.951 1.920 198 HG3 LYS 22 HG3 LYS 22 -10.835 27.119 0.394 199 HD2 LYS 22 HD2 LYS 22 -9.458 27.969 2.207 200 HD3 LYS 22 HD3 LYS 22 -9.946 29.321 1.176 201 HE2 LYS 22 HE2 LYS 22 -11.749 29.853 2.827 202 HE3 LYS 22 HE3 LYS 22 -11.155 28.546 3.855 203 HZ1 LYS 22 HZ1 LYS 22 -10.306 30.640 4.591 204 HZ2 LYS 22 HZ2 LYS 22 -9.661 30.987 3.067 205 HZ3 LYS 22 HZ3 LYS 22 -9.029 29.712 3.988 206 H GLY 23 H GLY 23 -13.463 25.063 0.641 207 HA2 GLY 23 HA2 GLY 23 -13.245 23.213 -0.689 208 HA3 GLY 23 HA3 GLY 23 -13.919 24.143 -2.014 209 H LYS 24 H LYS 24 -11.162 25.551 -0.604 210 HA LYS 24 HA LYS 24 -9.121 24.350 -2.185 211 HB2 LYS 24 HB2 LYS 24 -8.728 26.347 -3.679 212 HB3 LYS 24 HB3 LYS 24 -10.189 25.442 -4.046 213 HG2 LYS 24 HG2 LYS 24 -11.507 27.177 -2.795 214 HG3 LYS 24 HG3 LYS 24 -10.018 28.108 -2.605 215 HD2 LYS 24 HD2 LYS 24 -9.814 28.230 -5.087 216 HD3 LYS 24 HD3 LYS 24 -11.338 27.348 -5.240 217 HE2 LYS 24 HE2 LYS 24 -12.495 29.198 -4.050 218 HE3 LYS 24 HE3 LYS 24 -10.965 30.080 -3.963 219 HZ1 LYS 24 HZ1 LYS 24 -12.402 29.295 -6.441 220 HZ2 LYS 24 HZ2 LYS 24 -10.906 30.086 -6.393 221 HZ3 LYS 24 HZ3 LYS 24 -12.292 30.854 -5.799 222 H ASP 25 H ASP 25 -7.827 24.335 -0.417 223 HA ASP 25 HA ASP 25 -7.340 26.849 1.088 224 HB2 ASP 25 HB2 ASP 25 -9.048 25.208 2.125 225 HB3 ASP 25 HB3 ASP 25 -7.707 24.099 2.352 226 H VAL 26 H VAL 26 -5.362 26.132 2.784 227 HA VAL 26 HA VAL 26 -3.277 24.653 1.326 228 HB VAL 26 HB VAL 26 -2.993 27.579 2.178 229 HG11 VAL 26 HG11 VAL 26 -0.755 25.703 1.304 230 HG12 VAL 26 HG12 VAL 26 -0.960 26.413 2.908 231 HG13 VAL 26 HG13 VAL 26 -0.596 27.449 1.528 232 HG21 VAL 26 HG21 VAL 26 -3.957 27.299 -0.061 233 HG22 VAL 26 HG22 VAL 26 -2.605 26.269 -0.540 234 HG23 VAL 26 HG23 VAL 26 -2.329 27.975 -0.177 235 H PHE 27 H PHE 27 -2.447 23.263 2.750 236 HA PHE 27 HA PHE 27 -2.600 23.802 5.654 237 HB2 PHE 27 HB2 PHE 27 -3.647 21.690 4.734 238 HB3 PHE 27 HB3 PHE 27 -2.051 21.156 4.227 239 HD1 PHE 27 HD1 PHE 27 -4.126 21.997 7.194 240 HD2 PHE 27 HD2 PHE 27 -0.575 20.072 5.798 241 HE1 PHE 27 HE1 PHE 27 -3.840 20.946 9.389 242 HE2 PHE 27 HE2 PHE 27 -0.306 19.013 7.999 243 HZ PHE 27 HZ PHE 27 -1.931 19.444 9.795 244 H VAL 28 H VAL 28 -0.743 24.610 6.535 245 HA VAL 28 HA VAL 28 1.828 24.171 5.176 246 HB VAL 28 HB VAL 28 2.737 25.951 6.680 247 HG11 VAL 28 HG11 VAL 28 0.243 26.757 5.131 248 HG12 VAL 28 HG12 VAL 28 1.863 26.544 4.462 249 HG13 VAL 28 HG13 VAL 28 1.552 27.846 5.610 250 HG21 VAL 28 HG21 VAL 28 1.203 27.323 8.060 251 HG22 VAL 28 HG22 VAL 28 1.242 25.652 8.625 252 HG23 VAL 28 HG23 VAL 28 -0.136 26.227 7.676 253 H LYS 29 H LYS 29 3.550 23.177 6.063 254 HA LYS 29 HA LYS 29 3.414 21.916 8.730 255 HB2 LYS 29 HB2 LYS 29 4.162 20.611 6.066 256 HB3 LYS 29 HB3 LYS 29 4.660 19.920 7.609 257 HG2 LYS 29 HG2 LYS 29 1.733 20.469 7.160 258 HG3 LYS 29 HG3 LYS 29 2.475 19.097 6.343 259 HD2 LYS 29 HD2 LYS 29 1.448 18.338 8.405 260 HD3 LYS 29 HD3 LYS 29 3.198 18.183 8.536 261 HE2 LYS 29 HE2 LYS 29 2.235 18.993 10.632 262 HE3 LYS 29 HE3 LYS 29 3.263 20.232 9.920 263 HZ1 LYS 29 HZ1 LYS 29 0.296 20.146 9.855 264 HZ2 LYS 29 HZ2 LYS 29 1.233 21.309 9.062 265 HZ3 LYS 29 HZ3 LYS 29 1.255 21.208 10.750 266 HA PRO 30 HA PRO 30 7.640 23.751 8.816 267 HB2 PRO 30 HB2 PRO 30 8.199 23.283 11.443 268 HB3 PRO 30 HB3 PRO 30 7.105 24.575 10.929 269 HG2 PRO 30 HG2 PRO 30 6.441 21.835 11.985 270 HG3 PRO 30 HG3 PRO 30 5.691 23.397 12.376 271 HD2 PRO 30 HD2 PRO 30 4.602 21.602 10.594 272 HD3 PRO 30 HD3 PRO 30 4.331 23.354 10.499 273 H ALA 31 H ALA 31 7.963 21.799 7.332 274 HA ALA 31 HA ALA 31 9.118 20.008 6.582 275 HB1 ALA 31 HB1 ALA 31 11.405 19.742 7.450 276 HB2 ALA 31 HB2 ALA 31 10.991 20.708 8.870 277 HB3 ALA 31 HB3 ALA 31 10.991 21.448 7.269 278 H THR 32 H THR 32 7.066 19.431 8.609 279 HA THR 32 HA THR 32 7.959 17.504 10.522 280 HB THR 32 HB THR 32 5.111 18.091 9.600 281 HG1 THR 32 HG1 THR 32 6.908 19.641 10.924 282 HG21 THR 32 HG21 THR 32 4.445 17.367 11.858 283 HG22 THR 32 HG22 THR 32 6.126 17.014 12.261 284 HG23 THR 32 HG23 THR 32 5.297 16.062 11.027 285 H VAL 33 H VAL 33 6.070 17.324 7.542 286 HA VAL 33 HA VAL 33 5.741 14.483 7.533 287 HB VAL 33 HB VAL 33 4.825 14.879 5.180 288 HG11 VAL 33 HG11 VAL 33 3.567 16.521 7.412 289 HG12 VAL 33 HG12 VAL 33 3.306 14.801 7.106 290 HG13 VAL 33 HG13 VAL 33 2.754 15.997 5.934 291 HG21 VAL 33 HG21 VAL 33 6.133 16.890 4.615 292 HG22 VAL 33 HG22 VAL 33 5.292 17.808 5.866 293 HG23 VAL 33 HG23 VAL 33 4.403 17.206 4.464 294 H TRP 34 H TRP 34 6.647 12.984 6.174 295 HA TRP 34 HA TRP 34 9.361 13.321 5.321 296 HB2 TRP 34 HB2 TRP 34 7.391 11.025 4.926 297 HB3 TRP 34 HB3 TRP 34 9.090 10.955 4.469 298 HD1 TRP 34 HD1 TRP 34 6.834 10.960 7.595 299 HE1 TRP 34 HE1 TRP 34 8.218 10.132 9.599 300 HE3 TRP 34 HE3 TRP 34 11.468 10.797 5.399 301 HZ2 TRP 34 HZ2 TRP 34 10.902 9.515 10.193 302 HZ3 TRP 34 HZ3 TRP 34 13.393 10.080 6.765 303 HH2 TRP 34 HH2 TRP 34 13.114 9.451 9.113 304 H LYS 35 H LYS 35 9.836 12.204 3.047 305 HA LYS 35 HA LYS 35 9.264 14.186 1.117 306 HB2 LYS 35 HB2 LYS 35 11.390 12.883 1.345 307 HB3 LYS 35 HB3 LYS 35 10.552 11.462 0.745 308 HG2 LYS 35 HG2 LYS 35 10.183 12.646 -1.429 309 HG3 LYS 35 HG3 LYS 35 11.109 14.016 -0.810 310 HD2 LYS 35 HD2 LYS 35 12.165 11.180 -1.182 311 HD3 LYS 35 HD3 LYS 35 12.485 12.538 -2.266 312 HE2 LYS 35 HE2 LYS 35 13.740 13.690 -0.539 313 HE3 LYS 35 HE3 LYS 35 13.281 12.485 0.669 314 HZ1 LYS 35 HZ1 LYS 35 14.985 12.018 -1.712 315 HZ2 LYS 35 HZ2 LYS 35 14.509 10.827 -0.618 316 HZ3 LYS 35 HZ3 LYS 35 15.507 12.093 -0.106 317 H GLU 36 H GLU 36 7.363 11.546 2.000 318 HA GLU 36 HA GLU 36 6.326 10.567 -0.424 319 HB2 GLU 36 HB2 GLU 36 4.604 10.778 2.070 320 HB3 GLU 36 HB3 GLU 36 4.606 9.517 0.840 321 HG2 GLU 36 HG2 GLU 36 6.577 9.963 3.095 322 HG3 GLU 36 HG3 GLU 36 5.538 8.572 2.814 323 H LEU 37 H LEU 37 5.685 13.511 1.327 324 HA LEU 37 HA LEU 37 3.277 14.313 0.082 325 HB2 LEU 37 HB2 LEU 37 5.220 15.483 1.924 326 HB3 LEU 37 HB3 LEU 37 4.756 16.675 0.736 327 HG LEU 37 HG LEU 37 3.381 16.878 2.740 328 HD11 LEU 37 HD11 LEU 37 1.173 16.873 1.733 329 HD12 LEU 37 HD12 LEU 37 1.741 15.844 0.415 330 HD13 LEU 37 HD13 LEU 37 2.378 17.482 0.600 331 HD21 LEU 37 HD21 LEU 37 1.831 15.145 3.471 332 HD22 LEU 37 HD22 LEU 37 3.490 14.555 3.525 333 HD23 LEU 37 HD23 LEU 37 2.418 14.048 2.215 334 H LYS 38 H LYS 38 3.390 13.936 -2.164 335 HA LYS 38 HA LYS 38 5.112 15.831 -3.661 336 HB2 LYS 38 HB2 LYS 38 5.087 14.372 -5.562 337 HB3 LYS 38 HB3 LYS 38 5.514 13.410 -4.169 338 HG2 LYS 38 HG2 LYS 38 4.095 11.963 -5.263 339 HG3 LYS 38 HG3 LYS 38 2.966 12.748 -4.164 340 HD2 LYS 38 HD2 LYS 38 2.015 12.517 -6.426 341 HD3 LYS 38 HD3 LYS 38 2.176 14.210 -5.986 342 HE2 LYS 38 HE2 LYS 38 4.194 14.397 -7.371 343 HE3 LYS 38 HE3 LYS 38 4.110 12.675 -7.757 344 HZ1 LYS 38 HZ1 LYS 38 2.098 14.729 -8.504 345 HZ2 LYS 38 HZ2 LYS 38 1.986 13.080 -8.860 346 HZ3 LYS 38 HZ3 LYS 38 3.221 14.010 -9.541 347 HA PRO 39 HA PRO 39 1.370 17.957 -4.900 348 HB2 PRO 39 HB2 PRO 39 2.216 19.177 -7.208 349 HB3 PRO 39 HB3 PRO 39 2.696 19.724 -5.597 350 HG2 PRO 39 HG2 PRO 39 4.226 18.090 -7.585 351 HG3 PRO 39 HG3 PRO 39 4.810 19.350 -6.485 352 HD2 PRO 39 HD2 PRO 39 5.083 16.627 -6.032 353 HD3 PRO 39 HD3 PRO 39 5.087 17.856 -4.741 354 H GLY 40 H GLY 40 -0.081 16.395 -5.366 355 HA2 GLY 40 HA2 GLY 40 -1.341 15.842 -7.608 356 HA3 GLY 40 HA3 GLY 40 0.048 14.783 -7.827 357 H MET 41 H MET 41 -0.415 14.849 -4.577 358 HA MET 41 HA MET 41 -1.780 12.285 -4.498 359 HB2 MET 41 HB2 MET 41 -0.570 14.005 -2.290 360 HB3 MET 41 HB3 MET 41 -1.305 12.435 -2.019 361 HG2 MET 41 HG2 MET 41 0.465 11.584 -3.743 362 HG3 MET 41 HG3 MET 41 1.297 13.090 -3.356 363 HE1 MET 41 HE1 MET 41 0.074 13.117 -0.138 364 HE2 MET 41 HE2 MET 41 1.646 13.763 -0.614 365 HE3 MET 41 HE3 MET 41 1.540 12.545 0.657 366 H LYS 42 H LYS 42 -3.179 12.206 -2.265 367 HA LYS 42 HA LYS 42 -5.262 14.302 -2.334 368 HB2 LYS 42 HB2 LYS 42 -6.707 12.478 -1.214 369 HB3 LYS 42 HB3 LYS 42 -6.415 12.333 -2.941 370 HG2 LYS 42 HG2 LYS 42 -4.787 10.578 -2.558 371 HG3 LYS 42 HG3 LYS 42 -4.880 10.810 -0.813 372 HD2 LYS 42 HD2 LYS 42 -6.157 8.805 -1.684 373 HD3 LYS 42 HD3 LYS 42 -7.123 9.940 -0.728 374 HE2 LYS 42 HE2 LYS 42 -8.077 10.893 -2.780 375 HE3 LYS 42 HE3 LYS 42 -7.064 9.840 -3.768 376 HZ1 LYS 42 HZ1 LYS 42 -9.197 8.988 -1.898 377 HZ2 LYS 42 HZ2 LYS 42 -8.204 7.938 -2.770 378 HZ3 LYS 42 HZ3 LYS 42 -9.277 8.957 -3.585 379 H PHE 43 H PHE 43 -6.298 14.707 -0.242 380 HA PHE 43 HA PHE 43 -4.684 14.089 2.143 381 HB2 PHE 43 HB2 PHE 43 -4.280 16.472 1.140 382 HB3 PHE 43 HB3 PHE 43 -5.881 16.852 1.737 383 HD1 PHE 43 HD1 PHE 43 -5.923 15.583 4.422 384 HD2 PHE 43 HD2 PHE 43 -2.763 17.668 2.430 385 HE1 PHE 43 HE1 PHE 43 -4.974 16.230 6.589 386 HE2 PHE 43 HE2 PHE 43 -1.822 18.301 4.606 387 HZ PHE 43 HZ PHE 43 -2.924 17.589 6.682 388 H VAL 44 H VAL 44 -6.141 12.727 3.043 389 HA VAL 44 HA VAL 44 -8.980 13.329 3.067 390 HB VAL 44 HB VAL 44 -7.463 11.013 4.348 391 HG11 VAL 44 HG11 VAL 44 -10.449 11.403 3.901 392 HG12 VAL 44 HG12 VAL 44 -9.622 11.399 5.462 393 HG13 VAL 44 HG13 VAL 44 -9.693 9.922 4.499 394 HG21 VAL 44 HG21 VAL 44 -8.982 11.161 1.707 395 HG22 VAL 44 HG22 VAL 44 -8.293 9.694 2.406 396 HG23 VAL 44 HG23 VAL 44 -7.231 11.006 1.897 397 H PHE 45 H PHE 45 -9.835 14.595 4.532 398 HA PHE 45 HA PHE 45 -8.434 15.327 6.973 399 HB2 PHE 45 HB2 PHE 45 -11.173 16.266 6.003 400 HB3 PHE 45 HB3 PHE 45 -10.149 17.037 7.217 401 HD1 PHE 45 HD1 PHE 45 -7.682 17.629 6.329 402 HD2 PHE 45 HD2 PHE 45 -11.121 17.184 3.840 403 HE1 PHE 45 HE1 PHE 45 -6.578 18.933 4.571 404 HE2 PHE 45 HE2 PHE 45 -10.007 18.481 2.087 405 HZ PHE 45 HZ PHE 45 -7.737 19.358 2.447 406 H TYR 46 H TYR 46 -8.586 13.941 8.605 407 HA TYR 46 HA TYR 46 -10.820 12.242 9.148 408 HB2 TYR 46 HB2 TYR 46 -8.548 11.610 9.881 409 HB3 TYR 46 HB3 TYR 46 -8.434 13.048 10.884 410 HD1 TYR 46 HD1 TYR 46 -10.119 9.736 10.553 411 HD2 TYR 46 HD2 TYR 46 -9.400 13.084 13.113 412 HE1 TYR 46 HE1 TYR 46 -11.107 8.517 12.443 413 HE2 TYR 46 HE2 TYR 46 -10.389 11.858 14.996 414 HH TYR 46 HH TYR 46 -11.032 8.544 14.914 415 H GLN 47 H GLN 47 -12.351 12.483 10.796 416 HA GLN 47 HA GLN 47 -13.489 15.069 11.004 417 HB2 GLN 47 HB2 GLN 47 -14.732 12.860 10.921 418 HB3 GLN 47 HB3 GLN 47 -14.193 12.545 12.565 419 HG2 GLN 47 HG2 GLN 47 -15.457 14.527 13.342 420 HG3 GLN 47 HG3 GLN 47 -16.013 14.810 11.690 421 HE21 GLN 47 HE21 GLN 47 -18.190 14.521 12.206 422 HE22 GLN 47 HE22 GLN 47 -18.865 12.985 12.619 423 H SER 48 H SER 48 -12.502 16.605 12.237 424 HA SER 48 HA SER 48 -11.052 16.078 14.670 425 HB2 SER 48 HB2 SER 48 -10.464 17.967 13.126 426 HB3 SER 48 HB3 SER 48 -11.979 18.760 13.554 427 HG SER 48 HG SER 48 -9.696 18.965 14.795 428 H HIS 49 H HIS 49 -12.662 14.950 15.769 429 HA HIS 49 HA HIS 49 -14.347 16.178 17.649 430 HB2 HIS 49 HB2 HIS 49 -15.675 15.316 15.073 431 HB3 HIS 49 HB3 HIS 49 -16.522 14.969 16.569 432 HD1 HIS 49 HD1 HIS 49 -16.005 17.606 14.117 433 HD2 HIS 49 HD2 HIS 49 -17.122 17.371 18.111 434 HE1 HIS 49 HE1 HIS 49 -17.088 19.810 14.641 435 HE2 HIS 49 HE2 HIS 49 -17.870 19.594 17.029 436 H GLU 50 H GLU 50 -13.412 13.435 15.671 437 HA GLU 50 HA GLU 50 -13.142 11.211 15.987 438 HB2 GLU 50 HB2 GLU 50 -12.988 12.061 18.902 439 HB3 GLU 50 HB3 GLU 50 -12.569 10.447 18.330 440 HG2 GLU 50 HG2 GLU 50 -10.707 11.301 17.060 441 HG3 GLU 50 HG3 GLU 50 -11.199 12.973 17.353 442 H ASP 51 H ASP 51 -15.786 12.295 15.825 443 HA ASP 51 HA ASP 51 -17.616 11.114 17.657 444 HB2 ASP 51 HB2 ASP 51 -18.036 13.191 16.247 445 HB3 ASP 51 HB3 ASP 51 -18.161 12.157 14.833 446 H THR 52 H THR 52 -16.760 10.358 14.258 447 HA THR 52 HA THR 52 -17.259 7.503 14.721 448 HB THR 52 HB THR 52 -19.353 8.271 13.709 449 HG1 THR 52 HG1 THR 52 -17.868 6.324 12.793 450 HG21 THR 52 HG21 THR 52 -18.591 10.285 12.504 451 HG22 THR 52 HG22 THR 52 -19.465 9.199 11.420 452 HG23 THR 52 HG23 THR 52 -17.703 9.274 11.358 453 H GLY 53 H GLY 53 -15.849 10.024 12.659 454 HA2 GLY 53 HA2 GLY 53 -13.397 9.688 12.287 455 HA3 GLY 53 HA3 GLY 53 -13.807 8.074 11.709 456 H PHE 54 H PHE 54 -12.665 10.681 10.533 457 HA PHE 54 HA PHE 54 -12.453 11.720 8.580 458 HB2 PHE 54 HB2 PHE 54 -14.106 9.404 7.508 459 HB3 PHE 54 HB3 PHE 54 -13.284 10.591 6.501 460 HD1 PHE 54 HD1 PHE 54 -10.663 10.936 7.744 461 HD2 PHE 54 HD2 PHE 54 -12.953 7.360 7.243 462 HE1 PHE 54 HE1 PHE 54 -8.594 9.600 7.780 463 HE2 PHE 54 HE2 PHE 54 -10.883 6.043 7.268 464 HZ PHE 54 HZ PHE 54 -8.703 7.155 7.533 465 H VAL 55 H VAL 55 -13.295 13.357 7.398 466 HA VAL 55 HA VAL 55 -16.174 13.978 7.693 467 HB VAL 55 HB VAL 55 -15.051 15.310 9.348 468 HG11 VAL 55 HG11 VAL 55 -13.211 16.890 8.872 469 HG12 VAL 55 HG12 VAL 55 -13.156 16.316 7.203 470 HG13 VAL 55 HG13 VAL 55 -12.744 15.221 8.523 471 HG21 VAL 55 HG21 VAL 55 -15.609 17.602 8.682 472 HG22 VAL 55 HG22 VAL 55 -16.844 16.469 8.131 473 HG23 VAL 55 HG23 VAL 55 -15.663 17.111 6.987 474 H GLY 56 H GLY 56 -13.225 14.230 5.807 475 HA2 GLY 56 HA2 GLY 56 -14.587 14.089 3.328 476 HA3 GLY 56 HA3 GLY 56 -14.097 15.759 3.628 477 H GLU 57 H GLU 57 -12.887 15.246 1.604 478 HA GLU 57 HA GLU 57 -10.112 14.676 2.288 479 HB2 GLU 57 HB2 GLU 57 -9.704 13.176 0.421 480 HB3 GLU 57 HB3 GLU 57 -10.978 12.501 1.425 481 HG2 GLU 57 HG2 GLU 57 -12.670 13.240 -0.206 482 HG3 GLU 57 HG3 GLU 57 -11.396 13.934 -1.212 483 H ALA 58 H ALA 58 -8.775 15.136 0.188 484 HA ALA 58 HA ALA 58 -9.800 17.104 -1.656 485 HB1 ALA 58 HB1 ALA 58 -8.246 18.917 -0.984 486 HB2 ALA 58 HB2 ALA 58 -7.760 17.965 0.424 487 HB3 ALA 58 HB3 ALA 58 -9.415 18.555 0.289 488 H ARG 59 H ARG 59 -7.500 18.140 -2.651 489 HA ARG 59 HA ARG 59 -5.777 15.825 -3.264 490 HB2 ARG 59 HB2 ARG 59 -6.845 17.935 -5.178 491 HB3 ARG 59 HB3 ARG 59 -5.582 16.773 -5.593 492 HG2 ARG 59 HG2 ARG 59 -8.405 16.053 -4.729 493 HG3 ARG 59 HG3 ARG 59 -7.840 16.107 -6.407 494 HD2 ARG 59 HD2 ARG 59 -6.280 14.288 -5.974 495 HD3 ARG 59 HD3 ARG 59 -6.672 14.303 -4.252 496 HE ARG 59 HE ARG 59 -8.202 13.116 -6.407 497 HH11 ARG 59 HH11 ARG 59 -8.388 14.301 -3.110 498 HH12 ARG 59 HH12 ARG 59 -9.730 13.288 -2.697 499 HH21 ARG 59 HH21 ARG 59 -9.986 11.803 -5.837 500 HH22 ARG 59 HH22 ARG 59 -10.623 11.890 -4.222 501 H ILE 60 H ILE 60 -3.832 16.167 -2.581 502 HA ILE 60 HA ILE 60 -2.697 18.686 -1.905 503 HB ILE 60 HB ILE 60 -1.589 15.871 -2.140 504 HG12 ILE 60 HG12 ILE 60 -1.678 17.643 0.327 505 HG13 ILE 60 HG13 ILE 60 -3.070 16.695 -0.156 506 HG21 ILE 60 HG21 ILE 60 0.050 18.337 -1.451 507 HG22 ILE 60 HG22 ILE 60 0.281 17.264 -2.834 508 HG23 ILE 60 HG23 ILE 60 0.582 16.672 -1.201 509 HD11 ILE 60 HD11 ILE 60 -1.771 14.646 0.094 510 HD12 ILE 60 HD12 ILE 60 -1.765 15.601 1.576 511 HD13 ILE 60 HD13 ILE 60 -0.344 15.592 0.535 512 H LYS 61 H LYS 61 -1.558 19.992 -3.071 513 HA LYS 61 HA LYS 61 -0.677 19.385 -5.802 514 HB2 LYS 61 HB2 LYS 61 -2.323 21.809 -4.933 515 HB3 LYS 61 HB3 LYS 61 -1.673 21.573 -6.543 516 HG2 LYS 61 HG2 LYS 61 -3.813 19.910 -5.185 517 HG3 LYS 61 HG3 LYS 61 -4.056 21.085 -6.480 518 HD2 LYS 61 HD2 LYS 61 -2.467 18.494 -6.722 519 HD3 LYS 61 HD3 LYS 61 -4.129 18.727 -7.267 520 HE2 LYS 61 HE2 LYS 61 -1.705 20.214 -8.331 521 HE3 LYS 61 HE3 LYS 61 -2.519 18.867 -9.126 522 HZ1 LYS 61 HZ1 LYS 61 -3.227 20.981 -10.040 523 HZ2 LYS 61 HZ2 LYS 61 -3.741 21.504 -8.517 524 HZ3 LYS 61 HZ3 LYS 61 -4.527 20.211 -9.269 525 H ARG 62 H ARG 62 0.280 21.858 -6.442 526 HA ARG 62 HA ARG 62 2.855 21.806 -5.898 527 HB2 ARG 62 HB2 ARG 62 2.956 24.266 -6.463 528 HB3 ARG 62 HB3 ARG 62 1.936 23.312 -7.536 529 HG2 ARG 62 HG2 ARG 62 -0.071 24.084 -6.276 530 HG3 ARG 62 HG3 ARG 62 0.965 25.110 -5.282 531 HD2 ARG 62 HD2 ARG 62 1.666 26.301 -7.398 532 HD3 ARG 62 HD3 ARG 62 0.472 25.337 -8.277 533 HE ARG 62 HE ARG 62 -0.094 27.383 -6.227 534 HH11 ARG 62 HH11 ARG 62 -1.332 25.254 -8.730 535 HH12 ARG 62 HH12 ARG 62 -2.859 26.066 -8.825 536 HH21 ARG 62 HH21 ARG 62 -2.093 28.417 -6.350 537 HH22 ARG 62 HH22 ARG 62 -3.290 27.862 -7.469 538 H VAL 63 H VAL 63 4.001 21.621 -4.088 539 HA VAL 63 HA VAL 63 3.185 22.990 -1.636 540 HB VAL 63 HB VAL 63 4.863 21.603 -0.461 541 HG11 VAL 63 HG11 VAL 63 3.768 19.404 -0.757 542 HG12 VAL 63 HG12 VAL 63 3.038 19.959 -2.263 543 HG13 VAL 63 HG13 VAL 63 2.584 20.716 -0.734 544 HG21 VAL 63 HG21 VAL 63 6.105 19.790 -1.620 545 HG22 VAL 63 HG22 VAL 63 6.586 21.377 -2.221 546 HG23 VAL 63 HG23 VAL 63 5.501 20.369 -3.180 547 H VAL 64 H VAL 64 3.966 24.921 -1.151 548 HA VAL 64 HA VAL 64 6.245 26.065 -2.602 549 HB VAL 64 HB VAL 64 4.293 27.371 -0.645 550 HG11 VAL 64 HG11 VAL 64 6.386 28.643 -0.745 551 HG12 VAL 64 HG12 VAL 64 5.093 29.539 -1.544 552 HG13 VAL 64 HG13 VAL 64 6.301 28.691 -2.510 553 HG21 VAL 64 HG21 VAL 64 3.171 28.328 -2.626 554 HG22 VAL 64 HG22 VAL 64 3.116 26.563 -2.650 555 HG23 VAL 64 HG23 VAL 64 4.258 27.428 -3.686 556 H LEU 65 H LEU 65 8.176 25.618 -1.718 557 HA LEU 65 HA LEU 65 8.508 25.138 1.135 558 HB2 LEU 65 HB2 LEU 65 10.622 25.133 -1.069 559 HB3 LEU 65 HB3 LEU 65 10.808 24.495 0.561 560 HG LEU 65 HG LEU 65 8.976 23.351 -1.595 561 HD11 LEU 65 HD11 LEU 65 11.329 22.962 -2.124 562 HD12 LEU 65 HD12 LEU 65 10.526 21.456 -1.691 563 HD13 LEU 65 HD13 LEU 65 11.597 22.249 -0.532 564 HD21 LEU 65 HD21 LEU 65 8.023 22.969 0.615 565 HD22 LEU 65 HD22 LEU 65 9.547 22.295 1.196 566 HD23 LEU 65 HD23 LEU 65 8.626 21.457 -0.057 567 H SER 66 H SER 66 8.875 26.807 2.460 568 HA SER 66 HA SER 66 10.923 28.782 1.876 569 HB2 SER 66 HB2 SER 66 8.910 29.952 1.057 570 HB3 SER 66 HB3 SER 66 8.093 29.669 2.598 571 HG SER 66 HG SER 66 10.083 31.481 1.934 572 H GLU 67 H GLU 67 12.079 29.203 3.679 573 HA GLU 67 HA GLU 67 11.509 27.964 6.181 574 HB2 GLU 67 HB2 GLU 67 13.558 30.039 5.365 575 HB3 GLU 67 HB3 GLU 67 13.492 29.355 6.984 576 HG2 GLU 67 HG2 GLU 67 13.872 27.114 6.027 577 HG3 GLU 67 HG3 GLU 67 13.981 27.818 4.422 578 H ASN 68 H ASN 68 10.391 30.885 4.784 579 HA ASN 68 HA ASN 68 9.503 31.969 7.389 580 HB2 ASN 68 HB2 ASN 68 9.080 33.266 4.670 581 HB3 ASN 68 HB3 ASN 68 8.981 34.021 6.252 582 HD21 ASN 68 HD21 ASN 68 11.061 33.013 3.680 583 HD22 ASN 68 HD22 ASN 68 12.514 33.729 4.280 584 HA PRO 69 HA PRO 69 5.481 30.078 6.200 585 HB2 PRO 69 HB2 PRO 69 4.253 30.421 8.622 586 HB3 PRO 69 HB3 PRO 69 5.372 29.094 8.291 587 HG2 PRO 69 HG2 PRO 69 5.891 31.702 9.706 588 HG3 PRO 69 HG3 PRO 69 6.427 30.067 10.144 589 HD2 PRO 69 HD2 PRO 69 8.051 31.863 8.879 590 HD3 PRO 69 HD3 PRO 69 8.194 30.105 8.642 591 H MET 70 H MET 70 6.376 33.272 7.031 592 HA MET 70 HA MET 70 3.750 34.488 6.960 593 HB2 MET 70 HB2 MET 70 6.521 35.741 6.942 594 HB3 MET 70 HB3 MET 70 5.019 36.661 6.988 595 HG2 MET 70 HG2 MET 70 5.859 36.558 9.220 596 HG3 MET 70 HG3 MET 70 4.460 35.493 9.147 597 HE1 MET 70 HE1 MET 70 8.837 33.999 9.291 598 HE2 MET 70 HE2 MET 70 8.390 35.702 9.395 599 HE3 MET 70 HE3 MET 70 8.174 34.821 7.879 600 H GLN 71 H GLN 71 6.250 33.705 4.656 601 HA GLN 71 HA GLN 71 5.378 35.412 2.547 602 HB2 GLN 71 HB2 GLN 71 6.959 32.817 2.361 603 HB3 GLN 71 HB3 GLN 71 6.716 33.950 1.033 604 HG2 GLN 71 HG2 GLN 71 7.864 35.701 2.486 605 HG3 GLN 71 HG3 GLN 71 8.294 34.389 3.576 606 HE21 GLN 71 HE21 GLN 71 10.087 36.135 2.175 607 HE22 GLN 71 HE22 GLN 71 11.070 35.148 1.154 608 H PHE 72 H PHE 72 4.199 32.420 3.825 609 HA PHE 72 HA PHE 72 2.601 31.654 1.564 610 HB2 PHE 72 HB2 PHE 72 2.263 30.855 4.484 611 HB3 PHE 72 HB3 PHE 72 1.582 30.025 3.088 612 HD1 PHE 72 HD1 PHE 72 4.269 30.284 1.408 613 HD2 PHE 72 HD2 PHE 72 3.349 28.868 5.335 614 HE1 PHE 72 HE1 PHE 72 6.218 28.789 1.338 615 HE2 PHE 72 HE2 PHE 72 5.297 27.383 5.248 616 HZ PHE 72 HZ PHE 72 6.737 27.342 3.258 617 H PHE 73 H PHE 73 2.223 33.932 4.192 618 HA PHE 73 HA PHE 73 -0.672 34.122 3.919 619 HB2 PHE 73 HB2 PHE 73 1.254 35.794 5.574 620 HB3 PHE 73 HB3 PHE 73 -0.504 35.927 5.628 621 HD1 PHE 73 HD1 PHE 73 -1.536 33.262 5.742 622 HD2 PHE 73 HD2 PHE 73 2.025 34.798 7.528 623 HE1 PHE 73 HE1 PHE 73 -1.623 31.503 7.450 624 HE2 PHE 73 HE2 PHE 73 1.915 33.045 9.217 625 HZ PHE 73 HZ PHE 73 0.104 31.385 9.192 626 H GLU 74 H GLU 74 2.184 35.956 2.864 627 HA GLU 74 HA GLU 74 0.627 38.100 1.720 628 HB2 GLU 74 HB2 GLU 74 2.692 38.899 0.742 629 HB3 GLU 74 HB3 GLU 74 3.001 38.396 2.400 630 HG2 GLU 74 HG2 GLU 74 4.001 36.308 1.603 631 HG3 GLU 74 HG3 GLU 74 3.652 36.751 -0.064 632 H THR 75 H THR 75 1.802 34.991 0.574 633 HA THR 75 HA THR 75 1.073 35.393 -2.183 634 HB THR 75 HB THR 75 1.806 32.870 -0.636 635 HG1 THR 75 HG1 THR 75 3.732 33.667 -0.921 636 HG21 THR 75 HG21 THR 75 0.468 32.206 -2.593 637 HG22 THR 75 HG22 THR 75 2.166 31.793 -2.848 638 HG23 THR 75 HG23 THR 75 1.476 33.209 -3.640 639 H PHE 76 H PHE 76 -0.231 33.320 0.443 640 HA PHE 76 HA PHE 76 -2.758 32.950 -1.039 641 HB2 PHE 76 HB2 PHE 76 -1.721 31.398 1.371 642 HB3 PHE 76 HB3 PHE 76 -3.133 31.001 0.407 643 HD1 PHE 76 HD1 PHE 76 -2.689 30.497 -2.142 644 HD2 PHE 76 HD2 PHE 76 0.324 30.347 0.894 645 HE1 PHE 76 HE1 PHE 76 -1.328 29.011 -3.556 646 HE2 PHE 76 HE2 PHE 76 1.682 28.868 -0.531 647 HZ PHE 76 HZ PHE 76 0.856 28.197 -2.756 648 H GLY 77 H GLY 77 -1.831 33.111 2.432 649 HA2 GLY 77 HA2 GLY 77 -2.596 34.388 4.184 650 HA3 GLY 77 HA3 GLY 77 -3.466 35.398 3.046 651 H ASP 78 H ASP 78 -5.547 34.756 2.354 652 HA ASP 78 HA ASP 78 -7.297 33.709 4.284 653 HB2 ASP 78 HB2 ASP 78 -8.148 35.165 2.511 654 HB3 ASP 78 HB3 ASP 78 -7.651 34.023 1.272 655 H ARG 79 H ARG 79 -5.836 32.220 1.416 656 HA ARG 79 HA ARG 79 -7.257 29.791 1.457 657 HB2 ARG 79 HB2 ARG 79 -4.525 30.362 0.246 658 HB3 ARG 79 HB3 ARG 79 -5.512 28.951 -0.112 659 HG2 ARG 79 HG2 ARG 79 -6.214 31.838 -0.740 660 HG3 ARG 79 HG3 ARG 79 -5.663 30.623 -1.897 661 HD2 ARG 79 HD2 ARG 79 -7.702 29.286 -1.426 662 HD3 ARG 79 HD3 ARG 79 -8.261 30.543 -0.314 663 HE ARG 79 HE ARG 79 -7.802 31.018 -3.210 664 HH11 ARG 79 HH11 ARG 79 -9.820 31.460 -0.354 665 HH12 ARG 79 HH12 ARG 79 -10.991 32.421 -1.195 666 HH21 ARG 79 HH21 ARG 79 -9.335 32.277 -4.283 667 HH22 ARG 79 HH22 ARG 79 -10.720 32.877 -3.432 668 H VAL 80 H VAL 80 -4.341 30.795 3.202 669 HA VAL 80 HA VAL 80 -3.527 28.163 3.993 670 HB VAL 80 HB VAL 80 -2.965 30.756 5.495 671 HG11 VAL 80 HG11 VAL 80 -1.446 28.122 5.483 672 HG12 VAL 80 HG12 VAL 80 -2.458 28.727 6.797 673 HG13 VAL 80 HG13 VAL 80 -0.976 29.583 6.360 674 HG21 VAL 80 HG21 VAL 80 -1.342 29.514 3.243 675 HG22 VAL 80 HG22 VAL 80 -0.842 30.896 4.223 676 HG23 VAL 80 HG23 VAL 80 -2.249 31.028 3.165 677 H PHE 81 H PHE 81 -4.138 26.959 5.800 678 HA PHE 81 HA PHE 81 -6.802 27.136 6.554 679 HB2 PHE 81 HB2 PHE 81 -6.475 25.185 7.898 680 HB3 PHE 81 HB3 PHE 81 -5.429 25.039 6.499 681 HD1 PHE 81 HD1 PHE 81 -2.963 25.145 6.751 682 HD2 PHE 81 HD2 PHE 81 -5.536 25.290 10.149 683 HE1 PHE 81 HE1 PHE 81 -1.083 24.546 8.217 684 HE2 PHE 81 HE2 PHE 81 -3.647 24.710 11.609 685 HZ PHE 81 HZ PHE 81 -1.416 24.335 10.641 686 H LEU 82 H LEU 82 -4.021 28.462 8.119 687 HA LEU 82 HA LEU 82 -5.746 29.680 10.188 688 HB2 LEU 82 HB2 LEU 82 -4.094 29.468 11.839 689 HB3 LEU 82 HB3 LEU 82 -4.094 27.911 11.049 690 HG LEU 82 HG LEU 82 -1.986 30.089 10.700 691 HD11 LEU 82 HD11 LEU 82 -0.499 28.581 11.933 692 HD12 LEU 82 HD12 LEU 82 -1.824 27.436 12.165 693 HD13 LEU 82 HD13 LEU 82 -1.898 29.039 12.906 694 HD21 LEU 82 HD21 LEU 82 -0.675 28.441 9.453 695 HD22 LEU 82 HD22 LEU 82 -2.197 28.782 8.638 696 HD23 LEU 82 HD23 LEU 82 -2.004 27.281 9.544 697 H THR 83 H THR 83 -5.139 31.883 10.789 698 HA THR 83 HA THR 83 -3.864 33.356 8.581 699 HB THR 83 HB THR 83 -6.077 34.179 9.421 700 HG1 THR 83 HG1 THR 83 -5.159 36.438 9.891 701 HG21 THR 83 HG21 THR 83 -6.178 35.421 11.568 702 HG22 THR 83 HG22 THR 83 -4.556 34.850 11.963 703 HG23 THR 83 HG23 THR 83 -5.883 33.697 11.810 704 H LYS 84 H LYS 84 -2.561 35.431 9.529 705 HA LYS 84 HA LYS 84 -0.149 34.352 10.517 706 HB2 LYS 84 HB2 LYS 84 -0.287 36.357 9.046 707 HB3 LYS 84 HB3 LYS 84 -0.962 37.278 10.383 708 HG2 LYS 84 HG2 LYS 84 1.121 37.072 11.643 709 HG3 LYS 84 HG3 LYS 84 1.808 36.022 10.399 710 HD2 LYS 84 HD2 LYS 84 1.005 38.938 10.002 711 HD3 LYS 84 HD3 LYS 84 2.656 38.360 10.247 712 HE2 LYS 84 HE2 LYS 84 2.531 37.077 8.145 713 HE3 LYS 84 HE3 LYS 84 0.862 37.601 7.910 714 HZ1 LYS 84 HZ1 LYS 84 1.629 39.876 7.744 715 HZ2 LYS 84 HZ2 LYS 84 2.414 38.905 6.605 716 HZ3 LYS 84 HZ3 LYS 84 3.227 39.389 8.004 717 H ASP 85 H ASP 85 -2.778 36.076 12.140 718 HA ASP 85 HA ASP 85 -1.646 36.418 14.719 719 HB2 ASP 85 HB2 ASP 85 -4.564 35.843 14.018 720 HB3 ASP 85 HB3 ASP 85 -3.987 36.526 15.529 721 H GLU 86 H GLU 86 -3.490 33.713 13.318 722 HA GLU 86 HA GLU 86 -3.495 32.026 15.592 723 HB2 GLU 86 HB2 GLU 86 -3.710 31.281 12.653 724 HB3 GLU 86 HB3 GLU 86 -4.089 30.208 14.001 725 HG2 GLU 86 HG2 GLU 86 -5.530 32.778 13.309 726 HG3 GLU 86 HG3 GLU 86 -6.101 31.150 12.959 727 H LEU 87 H LEU 87 -1.209 32.433 12.925 728 HA LEU 87 HA LEU 87 0.427 30.169 13.473 729 HB2 LEU 87 HB2 LEU 87 0.551 31.281 11.285 730 HB3 LEU 87 HB3 LEU 87 1.097 32.770 12.045 731 HG LEU 87 HG LEU 87 3.135 31.410 12.888 732 HD11 LEU 87 HD11 LEU 87 3.801 29.452 11.621 733 HD12 LEU 87 HD12 LEU 87 2.263 29.460 10.752 734 HD13 LEU 87 HD13 LEU 87 2.296 29.169 12.496 735 HD21 LEU 87 HD21 LEU 87 3.009 31.831 9.904 736 HD22 LEU 87 HD22 LEU 87 4.432 31.847 10.946 737 HD23 LEU 87 HD23 LEU 87 3.226 33.120 11.091 738 H LYS 88 H LYS 88 0.634 33.610 14.430 739 HA LYS 88 HA LYS 88 3.212 33.339 15.604 740 HB2 LYS 88 HB2 LYS 88 2.871 35.655 16.493 741 HB3 LYS 88 HB3 LYS 88 2.647 35.495 14.764 742 HG2 LYS 88 HG2 LYS 88 0.920 36.925 15.325 743 HG3 LYS 88 HG3 LYS 88 0.118 35.370 15.325 744 HD2 LYS 88 HD2 LYS 88 -0.642 36.683 17.224 745 HD3 LYS 88 HD3 LYS 88 0.270 35.284 17.799 746 HE2 LYS 88 HE2 LYS 88 0.914 37.251 19.061 747 HE3 LYS 88 HE3 LYS 88 2.255 36.725 18.049 748 HZ1 LYS 88 HZ1 LYS 88 0.421 38.987 17.501 749 HZ2 LYS 88 HZ2 LYS 88 1.613 38.444 16.435 750 HZ3 LYS 88 HZ3 LYS 88 2.052 39.096 17.931 751 H GLU 89 H GLU 89 -0.072 33.168 16.940 752 HA GLU 89 HA GLU 89 0.767 32.949 19.676 753 HB2 GLU 89 HB2 GLU 89 -1.508 32.246 20.196 754 HB3 GLU 89 HB3 GLU 89 -1.555 33.603 19.076 755 HG2 GLU 89 HG2 GLU 89 -2.075 32.105 17.220 756 HG3 GLU 89 HG3 GLU 89 -1.909 30.700 18.269 757 H TYR 90 H TYR 90 0.288 30.639 17.059 758 HA TYR 90 HA TYR 90 0.561 28.213 18.511 759 HB2 TYR 90 HB2 TYR 90 -0.347 28.146 16.278 760 HB3 TYR 90 HB3 TYR 90 1.052 28.964 15.604 761 HD1 TYR 90 HD1 TYR 90 0.101 25.748 17.326 762 HD2 TYR 90 HD2 TYR 90 2.733 27.682 14.560 763 HE1 TYR 90 HE1 TYR 90 1.101 23.576 16.750 764 HE2 TYR 90 HE2 TYR 90 3.730 25.505 13.985 765 HH TYR 90 HH TYR 90 3.990 23.243 15.105 766 H MET 91 H MET 91 2.957 30.302 16.894 767 HA MET 91 HA MET 91 5.207 28.582 17.471 768 HB2 MET 91 HB2 MET 91 5.120 31.436 16.411 769 HB3 MET 91 HB3 MET 91 6.576 30.457 16.521 770 HG2 MET 91 HG2 MET 91 5.523 28.815 14.951 771 HG3 MET 91 HG3 MET 91 4.176 29.938 14.755 772 HE1 MET 91 HE1 MET 91 6.053 33.037 13.124 773 HE2 MET 91 HE2 MET 91 5.885 32.779 14.859 774 HE3 MET 91 HE3 MET 91 4.523 32.458 13.784 775 H LYS 92 H LYS 92 3.798 31.507 18.869 776 HA LYS 92 HA LYS 92 5.737 32.004 20.867 777 HB2 LYS 92 HB2 LYS 92 2.809 32.750 20.641 778 HB3 LYS 92 HB3 LYS 92 3.694 33.095 22.120 779 HG2 LYS 92 HG2 LYS 92 4.468 34.116 19.369 780 HG3 LYS 92 HG3 LYS 92 3.547 35.036 20.561 781 HD2 LYS 92 HD2 LYS 92 6.411 34.028 20.884 782 HD3 LYS 92 HD3 LYS 92 5.922 35.692 20.560 783 HE2 LYS 92 HE2 LYS 92 4.725 35.734 22.751 784 HE3 LYS 92 HE3 LYS 92 5.305 34.093 23.068 785 HZ1 LYS 92 HZ1 LYS 92 6.631 35.862 24.122 786 HZ2 LYS 92 HZ2 LYS 92 7.086 36.412 22.591 787 HZ3 LYS 92 HZ3 LYS 92 7.533 34.861 23.101 788 H SER 93 H SER 93 2.939 29.856 20.718 789 HA SER 93 HA SER 93 2.777 28.996 23.370 790 HB2 SER 93 HB2 SER 93 1.110 28.391 21.646 791 HB3 SER 93 HB3 SER 93 2.296 27.384 20.825 792 HG SER 93 HG SER 93 0.683 26.754 22.856 793 H GLN 94 H GLN 94 4.861 27.879 20.730 794 HA GLN 94 HA GLN 94 5.899 25.588 22.048 795 HB2 GLN 94 HB2 GLN 94 7.249 27.101 19.777 796 HB3 GLN 94 HB3 GLN 94 7.426 25.397 20.183 797 HG2 GLN 94 HG2 GLN 94 4.989 26.755 18.985 798 HG3 GLN 94 HG3 GLN 94 6.081 25.633 18.181 799 HE21 GLN 94 HE21 GLN 94 3.388 25.955 20.348 800 HE22 GLN 94 HE22 GLN 94 2.999 24.277 20.470 801 H GLU 95 H GLU 95 6.817 28.971 22.150 802 HA GLU 95 HA GLU 95 9.395 28.354 23.424 803 HB2 GLU 95 HB2 GLU 95 10.026 30.689 22.924 804 HB3 GLU 95 HB3 GLU 95 9.578 29.790 21.492 805 HG2 GLU 95 HG2 GLU 95 8.453 31.684 20.980 806 HG3 GLU 95 HG3 GLU 95 7.202 30.966 21.980 807 H ARG 96 H ARG 96 6.251 29.612 24.228 808 HA ARG 96 HA ARG 96 7.148 30.932 26.677 809 HB2 ARG 96 HB2 ARG 96 4.828 31.514 27.076 810 HB3 ARG 96 HB3 ARG 96 5.199 31.824 25.381 811 HG2 ARG 96 HG2 ARG 96 4.112 29.601 24.835 812 HG3 ARG 96 HG3 ARG 96 3.593 29.512 26.519 813 HD2 ARG 96 HD2 ARG 96 2.847 31.714 24.561 814 HD3 ARG 96 HD3 ARG 96 1.821 30.345 25.005 815 HE ARG 96 HE ARG 96 2.735 32.042 27.194 816 HH11 ARG 96 HH11 ARG 96 0.130 31.315 24.957 817 HH12 ARG 96 HH12 ARG 96 -1.075 32.110 25.912 818 HH21 ARG 96 HH21 ARG 96 1.151 33.089 28.439 819 HH22 ARG 96 HH22 ARG 96 -0.495 33.116 27.891 820 H TRP 97 H TRP 97 5.690 27.863 25.725 821 HA TRP 97 HA TRP 97 5.264 26.980 28.450 822 HB2 TRP 97 HB2 TRP 97 5.002 25.528 25.785 823 HB3 TRP 97 HB3 TRP 97 4.691 24.758 27.339 824 HD1 TRP 97 HD1 TRP 97 2.878 26.534 24.680 825 HE1 TRP 97 HE1 TRP 97 0.565 27.295 25.472 826 HE3 TRP 97 HE3 TRP 97 3.469 25.865 29.719 827 HZ2 TRP 97 HZ2 TRP 97 -0.838 27.571 27.882 828 HZ3 TRP 97 HZ3 TRP 97 1.576 26.391 31.205 829 HH2 TRP 97 HH2 TRP 97 -0.536 27.229 30.297 830 H GLY 98 H GLY 98 7.985 27.158 26.427 831 HA2 GLY 98 HA2 GLY 98 9.730 26.599 28.472 832 HA3 GLY 98 HA3 GLY 98 9.525 25.049 27.664 833 H ARG 99 H ARG 99 10.343 24.748 25.627 834 HA ARG 99 HA ARG 99 11.939 24.769 24.055 835 HB2 ARG 99 HB2 ARG 99 10.357 26.595 23.224 836 HB3 ARG 99 HB3 ARG 99 11.506 27.766 23.844 837 HG2 ARG 99 HG2 ARG 99 11.861 27.511 21.476 838 HG3 ARG 99 HG3 ARG 99 13.243 26.816 22.328 839 HD2 ARG 99 HD2 ARG 99 12.281 24.547 22.010 840 HD3 ARG 99 HD3 ARG 99 10.923 25.254 21.124 841 HE ARG 99 HE ARG 99 13.061 26.181 19.768 842 HH11 ARG 99 HH11 ARG 99 12.118 22.899 20.652 843 HH12 ARG 99 HH12 ARG 99 12.929 22.189 19.293 844 HH21 ARG 99 HH21 ARG 99 14.139 25.232 18.035 845 HH22 ARG 99 HH22 ARG 99 14.094 23.511 17.817 846 H ARG 100 H ARG 100 13.551 24.184 25.587 847 HA ARG 100 HA ARG 100 15.242 26.115 26.879 848 HB2 ARG 100 HB2 ARG 100 15.426 23.100 26.522 849 HB3 ARG 100 HB3 ARG 100 16.688 24.019 27.340 850 HG2 ARG 100 HG2 ARG 100 13.776 23.907 28.193 851 HG3 ARG 100 HG3 ARG 100 15.095 22.989 28.931 852 HD2 ARG 100 HD2 ARG 100 16.180 25.064 29.643 853 HD3 ARG 100 HD3 ARG 100 14.952 26.026 28.814 854 HE ARG 100 HE ARG 100 13.645 24.375 30.661 855 HH11 ARG 100 HH11 ARG 100 15.955 27.032 30.763 856 HH12 ARG 100 HH12 ARG 100 15.335 27.661 32.255 857 HH21 ARG 100 HH21 ARG 100 12.857 25.201 32.614 858 HH22 ARG 100 HH22 ARG 100 13.581 26.613 33.314 859 H ARG 101 H ARG 101 15.328 24.423 23.816 860 HA ARG 101 HA ARG 101 18.040 25.174 23.145 861 HB2 ARG 101 HB2 ARG 101 15.774 24.102 21.396 862 HB3 ARG 101 HB3 ARG 101 17.454 24.288 20.886 863 HG2 ARG 101 HG2 ARG 101 18.141 22.665 22.656 864 HG3 ARG 101 HG3 ARG 101 16.442 22.441 23.080 865 HD2 ARG 101 HD2 ARG 101 15.985 21.541 20.845 866 HD3 ARG 101 HD3 ARG 101 17.670 21.820 20.369 867 HE ARG 101 HE ARG 101 17.092 20.074 22.680 868 HH11 ARG 101 HH11 ARG 101 18.278 20.325 19.382 869 HH12 ARG 101 HH12 ARG 101 19.014 18.760 19.398 870 HH21 ARG 101 HH21 ARG 101 18.045 18.017 22.687 871 HH22 ARG 101 HH22 ARG 101 18.884 17.445 21.283 872 H GLU 102 H GLU 102 18.689 26.925 21.981 873 HA GLU 102 HA GLU 102 17.172 29.279 22.422 874 HB2 GLU 102 HB2 GLU 102 19.668 29.133 20.678 875 HB3 GLU 102 HB3 GLU 102 19.043 30.524 21.551 876 HG2 GLU 102 HG2 GLU 102 20.869 29.892 22.840 877 HG3 GLU 102 HG3 GLU 102 19.527 29.145 23.703 878 H SER 103 H SER 103 17.624 27.254 19.638 879 HA SER 103 HA SER 103 16.856 27.194 17.537 880 HB2 SER 103 HB2 SER 103 14.722 29.126 18.525 881 HB3 SER 103 HB3 SER 103 14.622 28.116 17.078 882 HG SER 103 HG SER 103 15.011 27.075 19.689 883 H LYS 104 H LYS 104 19.015 28.611 17.746 884 HA LYS 104 HA LYS 104 19.002 31.304 16.926 885 HB2 LYS 104 HB2 LYS 104 20.941 30.160 18.016 886 HB3 LYS 104 HB3 LYS 104 21.198 29.223 16.551 887 HG2 LYS 104 HG2 LYS 104 22.792 31.060 16.678 888 HG3 LYS 104 HG3 LYS 104 21.705 31.289 15.303 889 HD2 LYS 104 HD2 LYS 104 20.350 32.870 16.720 890 HD3 LYS 104 HD3 LYS 104 21.557 32.700 17.998 891 HE2 LYS 104 HE2 LYS 104 23.269 33.665 16.523 892 HE3 LYS 104 HE3 LYS 104 22.095 33.777 15.208 893 HZ1 LYS 104 HZ1 LYS 104 21.994 35.223 17.798 894 HZ2 LYS 104 HZ2 LYS 104 20.783 35.279 16.618 895 HZ3 LYS 104 HZ3 LYS 104 22.323 35.889 16.280 896 H LYS 105 H LYS 105 19.003 28.271 15.138 897 HA LYS 105 HA LYS 105 18.883 29.671 12.556 898 HB2 LYS 105 HB2 LYS 105 20.343 27.591 12.867 899 HB3 LYS 105 HB3 LYS 105 18.862 26.662 13.049 900 HG2 LYS 105 HG2 LYS 105 19.775 26.491 10.767 901 HG3 LYS 105 HG3 LYS 105 18.178 27.222 10.772 902 HD2 LYS 105 HD2 LYS 105 19.689 28.378 9.202 903 HD3 LYS 105 HD3 LYS 105 19.163 29.454 10.496 904 HE2 LYS 105 HE2 LYS 105 21.369 28.981 11.653 905 HE3 LYS 105 HE3 LYS 105 21.878 28.122 10.195 906 HZ1 LYS 105 HZ1 LYS 105 22.623 30.439 10.261 907 HZ2 LYS 105 HZ2 LYS 105 21.018 30.961 10.283 908 HZ3 LYS 105 HZ3 LYS 105 21.618 30.138 8.936 909 H LYS 106 H LYS 106 17.135 29.069 11.081 910 HA LYS 106 HA LYS 106 14.519 29.200 12.406 911 HB2 LYS 106 HB2 LYS 106 13.663 29.940 10.225 912 HB3 LYS 106 HB3 LYS 106 15.082 30.888 10.645 913 HG2 LYS 106 HG2 LYS 106 15.429 28.463 8.891 914 HG3 LYS 106 HG3 LYS 106 14.723 29.909 8.187 915 HD2 LYS 106 HD2 LYS 106 17.361 30.070 9.671 916 HD3 LYS 106 HD3 LYS 106 17.308 29.495 8.005 917 HE2 LYS 106 HE2 LYS 106 16.259 32.190 8.948 918 HE3 LYS 106 HE3 LYS 106 17.816 31.917 8.157 919 HZ1 LYS 106 HZ1 LYS 106 16.208 32.640 6.542 920 HZ2 LYS 106 HZ2 LYS 106 15.132 31.414 6.979 921 HZ3 LYS 106 HZ3 LYS 106 16.596 31.022 6.229 922 H LYS 107 H LYS 107 12.852 28.101 10.424 923 HA LYS 107 HA LYS 107 13.750 25.327 10.016 924 HB2 LYS 107 HB2 LYS 107 12.241 25.558 12.082 925 HB3 LYS 107 HB3 LYS 107 10.957 26.048 10.998 926 HG2 LYS 107 HG2 LYS 107 10.449 23.811 11.277 927 HG3 LYS 107 HG3 LYS 107 11.434 23.724 9.818 928 HD2 LYS 107 HD2 LYS 107 12.475 23.236 12.642 929 HD3 LYS 107 HD3 LYS 107 11.947 21.951 11.559 930 HE2 LYS 107 HE2 LYS 107 13.776 22.439 10.027 931 HE3 LYS 107 HE3 LYS 107 14.233 23.863 10.958 932 HZ1 LYS 107 HZ1 LYS 107 14.371 21.064 11.917 933 HZ2 LYS 107 HZ2 LYS 107 14.809 22.433 12.804 934 HZ3 LYS 107 HZ3 LYS 107 15.681 22.011 11.418 935 H LEU 108 H LEU 108 13.014 24.376 8.170 936 HA LEU 108 HA LEU 108 11.936 26.040 6.068 937 HB2 LEU 108 HB2 LEU 108 13.703 24.182 5.780 938 HB3 LEU 108 HB3 LEU 108 12.413 23.026 5.985 939 HG LEU 108 HG LEU 108 13.119 23.367 3.598 940 HD11 LEU 108 HD11 LEU 108 10.935 23.449 2.577 941 HD12 LEU 108 HD12 LEU 108 10.239 24.147 4.042 942 HD13 LEU 108 HD13 LEU 108 10.878 22.501 4.066 943 HD21 LEU 108 HD21 LEU 108 11.940 26.141 3.883 944 HD22 LEU 108 HD22 LEU 108 12.494 25.394 2.381 945 HD23 LEU 108 HD23 LEU 108 13.647 25.745 3.667 946 H TRP 109 H TRP 109 9.817 26.504 6.115 947 HA TRP 109 HA TRP 109 7.808 24.490 6.879 948 HB2 TRP 109 HB2 TRP 109 7.540 27.461 6.226 949 HB3 TRP 109 HB3 TRP 109 6.186 26.411 6.626 950 HD1 TRP 109 HD1 TRP 109 9.519 27.510 8.333 951 HE1 TRP 109 HE1 TRP 109 9.052 27.836 10.834 952 HE3 TRP 109 HE3 TRP 109 4.594 26.114 8.440 953 HZ2 TRP 109 HZ2 TRP 109 6.907 27.556 12.627 954 HZ3 TRP 109 HZ3 TRP 109 3.402 26.181 10.598 955 HH2 TRP 109 HH2 TRP 109 4.537 26.892 12.651 956 H MET 110 H MET 110 6.117 23.950 5.405 957 HA MET 110 HA MET 110 6.509 24.622 2.558 958 HB2 MET 110 HB2 MET 110 5.790 22.169 2.086 959 HB3 MET 110 HB3 MET 110 7.439 22.453 2.613 960 HG2 MET 110 HG2 MET 110 6.932 21.696 4.841 961 HG3 MET 110 HG3 MET 110 5.216 21.566 4.459 962 HE1 MET 110 HE1 MET 110 5.015 18.479 2.159 963 HE2 MET 110 HE2 MET 110 4.978 20.189 1.719 964 HE3 MET 110 HE3 MET 110 4.128 19.628 3.169 965 H ALA 111 H ALA 111 4.722 25.242 1.584 966 HA ALA 111 HA ALA 111 2.148 25.164 2.995 967 HB1 ALA 111 HB1 ALA 111 2.944 27.365 2.283 968 HB2 ALA 111 HB2 ALA 111 1.498 26.930 1.372 969 HB3 ALA 111 HB3 ALA 111 3.091 26.808 0.616 970 H ILE 112 H ILE 112 1.196 23.261 2.525 971 HA ILE 112 HA ILE 112 1.355 21.961 -0.054 972 HB ILE 112 HB ILE 112 -0.488 21.324 2.301 973 HG12 ILE 112 HG12 ILE 112 2.223 20.056 1.712 974 HG13 ILE 112 HG13 ILE 112 1.970 21.312 2.920 975 HG21 ILE 112 HG21 ILE 112 -1.202 20.278 0.197 976 HG22 ILE 112 HG22 ILE 112 -0.610 19.063 1.329 977 HG23 ILE 112 HG23 ILE 112 0.406 19.578 -0.018 978 HD11 ILE 112 HD11 ILE 112 0.724 18.559 2.948 979 HD12 ILE 112 HD12 ILE 112 0.475 19.819 4.159 980 HD13 ILE 112 HD13 ILE 112 2.076 19.114 3.934 981 H GLU 113 H GLU 113 0.055 22.508 -1.745 982 HA GLU 113 HA GLU 113 -2.198 24.317 -1.379 983 HB2 GLU 113 HB2 GLU 113 -0.439 24.179 -3.360 984 HB3 GLU 113 HB3 GLU 113 -1.474 22.915 -3.979 985 HG2 GLU 113 HG2 GLU 113 -2.193 25.827 -3.563 986 HG3 GLU 113 HG3 GLU 113 -1.918 25.008 -5.098 987 H LEU 114 H LEU 114 -4.351 23.683 -1.318 988 HA LEU 114 HA LEU 114 -5.006 20.827 -1.743 989 HB2 LEU 114 HB2 LEU 114 -5.765 22.631 0.563 990 HB3 LEU 114 HB3 LEU 114 -6.923 21.424 0.046 991 HG LEU 114 HG LEU 114 -5.750 20.477 1.875 992 HD11 LEU 114 HD11 LEU 114 -6.165 18.925 0.078 993 HD12 LEU 114 HD12 LEU 114 -4.672 18.512 0.909 994 HD13 LEU 114 HD13 LEU 114 -4.609 19.303 -0.665 995 HD21 LEU 114 HD21 LEU 114 -3.130 21.181 0.531 996 HD22 LEU 114 HD22 LEU 114 -3.301 20.215 1.999 997 HD23 LEU 114 HD23 LEU 114 -3.798 21.912 1.992 998 H GLU 115 H GLU 115 -6.330 20.595 -3.400 999 HA GLU 115 HA GLU 115 -8.492 22.574 -3.912 1000 HB2 GLU 115 HB2 GLU 115 -8.258 22.233 -6.292 1001 HB3 GLU 115 HB3 GLU 115 -6.644 22.604 -5.670 1002 HG2 GLU 115 HG2 GLU 115 -6.015 20.256 -5.758 1003 HG3 GLU 115 HG3 GLU 115 -7.655 19.803 -6.229 1004 H ASP 116 H ASP 116 -10.270 21.487 -5.296 1005 HA ASP 116 HA ASP 116 -11.895 19.933 -5.628 1006 HB2 ASP 116 HB2 ASP 116 -9.964 18.980 -6.961 1007 HB3 ASP 116 HB3 ASP 116 -9.560 17.968 -5.583 1008 H VAL 117 H VAL 117 -11.501 20.706 -2.954 1009 HA VAL 117 HA VAL 117 -11.334 18.540 -1.143 1010 HB VAL 117 HB VAL 117 -12.674 21.231 -0.634 1011 HG11 VAL 117 HG11 VAL 117 -11.543 19.163 1.288 1012 HG12 VAL 117 HG12 VAL 117 -13.250 19.543 1.047 1013 HG13 VAL 117 HG13 VAL 117 -12.171 20.747 1.749 1014 HG21 VAL 117 HG21 VAL 117 -9.763 20.450 -0.159 1015 HG22 VAL 117 HG22 VAL 117 -10.509 21.987 0.281 1016 HG23 VAL 117 HG23 VAL 117 -10.337 21.547 -1.419 1017 H LYS 118 H LYS 118 -12.739 16.944 -1.010 1018 HA LYS 118 HA LYS 118 -15.550 17.315 -1.800 1019 HB2 LYS 118 HB2 LYS 118 -13.738 15.749 -3.053 1020 HB3 LYS 118 HB3 LYS 118 -14.243 14.598 -1.825 1021 HG2 LYS 118 HG2 LYS 118 -15.500 14.267 -3.885 1022 HG3 LYS 118 HG3 LYS 118 -16.576 14.804 -2.590 1023 HD2 LYS 118 HD2 LYS 118 -17.004 15.882 -4.845 1024 HD3 LYS 118 HD3 LYS 118 -16.752 17.013 -3.517 1025 HE2 LYS 118 HE2 LYS 118 -15.603 17.760 -5.564 1026 HE3 LYS 118 HE3 LYS 118 -14.444 17.415 -4.284 1027 HZ1 LYS 118 HZ1 LYS 118 -14.035 15.251 -5.355 1028 HZ2 LYS 118 HZ2 LYS 118 -13.643 16.554 -6.355 1029 HZ3 LYS 118 HZ3 LYS 118 -15.075 15.689 -6.617 1030 H LYS 119 H LYS 119 -16.847 17.371 -0.076 1031 HA LYS 119 HA LYS 119 -16.303 16.300 2.487 1032 HB2 LYS 119 HB2 LYS 119 -18.608 17.657 1.157 1033 HB3 LYS 119 HB3 LYS 119 -19.034 16.672 2.540 1034 HG2 LYS 119 HG2 LYS 119 -16.950 18.873 2.641 1035 HG3 LYS 119 HG3 LYS 119 -18.656 19.123 3.012 1036 HD2 LYS 119 HD2 LYS 119 -16.724 17.286 4.494 1037 HD3 LYS 119 HD3 LYS 119 -17.377 18.821 5.077 1038 HE2 LYS 119 HE2 LYS 119 -19.690 17.759 4.924 1039 HE3 LYS 119 HE3 LYS 119 -18.874 16.227 4.612 1040 HZ1 LYS 119 HZ1 LYS 119 -19.486 16.522 6.929 1041 HZ2 LYS 119 HZ2 LYS 119 -18.478 17.880 7.031 1042 HZ3 LYS 119 HZ3 LYS 119 -17.819 16.350 6.722 1043 H TYR 120 H TYR 120 -16.860 14.402 3.453 1044 HA TYR 120 HA TYR 120 -17.956 12.229 1.872 1045 HB2 TYR 120 HB2 TYR 120 -17.041 12.341 4.777 1046 HB3 TYR 120 HB3 TYR 120 -17.670 10.886 4.001 1047 HD1 TYR 120 HD1 TYR 120 -16.214 11.508 1.253 1048 HD2 TYR 120 HD2 TYR 120 -14.892 11.307 5.314 1049 HE1 TYR 120 HE1 TYR 120 -13.965 10.893 0.496 1050 HE2 TYR 120 HE2 TYR 120 -12.644 10.679 4.551 1051 HH TYR 120 HH TYR 120 -11.708 10.833 1.226 1052 H ASP 121 H ASP 121 -20.068 12.154 1.556 1053 HA ASP 121 HA ASP 121 -22.077 13.220 3.307 1054 HB2 ASP 121 HB2 ASP 121 -22.374 13.052 0.829 1055 HB3 ASP 121 HB3 ASP 121 -22.333 11.297 0.946 1056 H LYS 122 H LYS 122 -20.434 10.207 2.936 1057 HA LYS 122 HA LYS 122 -22.300 8.711 4.673 1058 HB2 LYS 122 HB2 LYS 122 -21.206 6.688 3.677 1059 HB3 LYS 122 HB3 LYS 122 -21.976 7.714 2.473 1060 HG2 LYS 122 HG2 LYS 122 -19.634 8.710 2.054 1061 HG3 LYS 122 HG3 LYS 122 -19.010 7.372 3.017 1062 HD2 LYS 122 HD2 LYS 122 -18.857 6.833 0.641 1063 HD3 LYS 122 HD3 LYS 122 -20.031 5.764 1.417 1064 HE2 LYS 122 HE2 LYS 122 -21.873 7.194 0.558 1065 HE3 LYS 122 HE3 LYS 122 -20.686 8.236 -0.230 1066 HZ1 LYS 122 HZ1 LYS 122 -21.155 5.371 -0.831 1067 HZ2 LYS 122 HZ2 LYS 122 -20.003 6.357 -1.577 1068 HZ3 LYS 122 HZ3 LYS 122 -21.650 6.682 -1.776 1069 HA PRO 123 HA PRO 123 -19.060 8.746 7.832 1070 HB2 PRO 123 HB2 PRO 123 -19.939 6.791 9.490 1071 HB3 PRO 123 HB3 PRO 123 -20.813 8.318 9.308 1072 HG2 PRO 123 HG2 PRO 123 -21.393 5.641 8.052 1073 HG3 PRO 123 HG3 PRO 123 -22.523 6.805 8.773 1074 HD2 PRO 123 HD2 PRO 123 -22.076 6.589 6.049 1075 HD3 PRO 123 HD3 PRO 123 -22.637 8.076 6.840 1076 H ILE 124 H ILE 124 -17.188 8.123 6.798 1077 HA ILE 124 HA ILE 124 -16.738 5.362 6.001 1078 HB ILE 124 HB ILE 124 -14.904 7.786 5.759 1079 HG12 ILE 124 HG12 ILE 124 -16.777 6.412 3.778 1080 HG13 ILE 124 HG13 ILE 124 -16.879 8.068 4.364 1081 HG21 ILE 124 HG21 ILE 124 -14.568 5.017 4.538 1082 HG22 ILE 124 HG22 ILE 124 -13.592 5.690 5.846 1083 HG23 ILE 124 HG23 ILE 124 -13.529 6.413 4.240 1084 HD11 ILE 124 HD11 ILE 124 -14.793 6.922 2.518 1085 HD12 ILE 124 HD12 ILE 124 -14.782 8.568 3.157 1086 HD13 ILE 124 HD13 ILE 124 -16.095 8.040 2.108 1087 H LYS 125 H LYS 125 -15.823 3.894 7.209 1088 HA LYS 125 HA LYS 125 -14.884 4.392 9.873 1089 HB2 LYS 125 HB2 LYS 125 -14.879 1.850 8.187 1090 HB3 LYS 125 HB3 LYS 125 -14.586 1.913 9.925 1091 HG2 LYS 125 HG2 LYS 125 -16.866 2.600 10.355 1092 HG3 LYS 125 HG3 LYS 125 -17.174 2.834 8.633 1093 HD2 LYS 125 HD2 LYS 125 -18.203 0.753 9.387 1094 HD3 LYS 125 HD3 LYS 125 -16.898 0.415 8.248 1095 HE2 LYS 125 HE2 LYS 125 -15.406 -0.168 10.135 1096 HE3 LYS 125 HE3 LYS 125 -16.712 0.170 11.276 1097 HZ1 LYS 125 HZ1 LYS 125 -16.785 -1.906 9.156 1098 HZ2 LYS 125 HZ2 LYS 125 -17.993 -1.608 10.301 1099 HZ3 LYS 125 HZ3 LYS 125 -16.484 -2.194 10.794 1100 HA PRO 126 HA PRO 126 -10.507 4.812 8.598 1101 HB2 PRO 126 HB2 PRO 126 -9.436 4.888 11.151 1102 HB3 PRO 126 HB3 PRO 126 -10.133 6.291 10.329 1103 HG2 PRO 126 HG2 PRO 126 -11.377 4.487 12.388 1104 HG3 PRO 126 HG3 PRO 126 -11.480 6.254 12.234 1105 HD2 PRO 126 HD2 PRO 126 -13.488 4.603 11.420 1106 HD3 PRO 126 HD3 PRO 126 -13.145 6.149 10.612 1107 H LYS 127 H LYS 127 -9.207 3.207 8.011 1108 HA LYS 127 HA LYS 127 -9.658 0.489 8.848 1109 HB2 LYS 127 HB2 LYS 127 -7.724 1.724 6.846 1110 HB3 LYS 127 HB3 LYS 127 -7.681 0.011 7.235 1111 HG2 LYS 127 HG2 LYS 127 -8.937 0.315 5.188 1112 HG3 LYS 127 HG3 LYS 127 -10.032 -0.221 6.466 1113 HD2 LYS 127 HD2 LYS 127 -10.701 2.216 6.774 1114 HD3 LYS 127 HD3 LYS 127 -9.752 2.597 5.335 1115 HE2 LYS 127 HE2 LYS 127 -11.209 1.176 3.970 1116 HE3 LYS 127 HE3 LYS 127 -12.099 0.661 5.405 1117 HZ1 LYS 127 HZ1 LYS 127 -13.315 2.360 4.240 1118 HZ2 LYS 127 HZ2 LYS 127 -11.995 3.416 4.304 1119 HZ3 LYS 127 HZ3 LYS 127 -12.791 2.975 5.728 1120 H ARG 128 H ARG 128 -7.423 3.008 9.671 1121 HA ARG 128 HA ARG 128 -6.547 1.472 11.972 1122 HB2 ARG 128 HB2 ARG 128 -4.177 1.744 11.681 1123 HB3 ARG 128 HB3 ARG 128 -4.786 1.058 10.180 1124 HG2 ARG 128 HG2 ARG 128 -4.717 3.352 9.160 1125 HG3 ARG 128 HG3 ARG 128 -3.979 3.951 10.652 1126 HD2 ARG 128 HD2 ARG 128 -2.135 2.221 10.288 1127 HD3 ARG 128 HD3 ARG 128 -2.828 1.928 8.689 1128 HE ARG 128 HE ARG 128 -1.530 4.408 9.618 1129 HH11 ARG 128 HH11 ARG 128 -2.833 2.597 6.894 1130 HH12 ARG 128 HH12 ARG 128 -1.957 3.527 5.723 1131 HH21 ARG 128 HH21 ARG 128 -0.356 5.563 8.074 1132 HH22 ARG 128 HH22 ARG 128 -0.551 5.192 6.396 1133 H LEU 129 H LEU 129 -5.599 2.861 13.616 1134 HA LEU 129 HA LEU 129 -7.027 5.251 14.007 1135 HB2 LEU 129 HB2 LEU 129 -5.837 5.529 16.077 1136 HB3 LEU 129 HB3 LEU 129 -6.183 3.825 15.876 1137 HG LEU 129 HG LEU 129 -3.450 5.058 15.323 1138 HD11 LEU 129 HD11 LEU 129 -3.993 5.370 17.681 1139 HD12 LEU 129 HD12 LEU 129 -2.725 4.165 17.490 1140 HD13 LEU 129 HD13 LEU 129 -4.379 3.655 17.850 1141 HD21 LEU 129 HD21 LEU 129 -2.606 2.751 15.451 1142 HD22 LEU 129 HD22 LEU 129 -3.789 2.927 14.159 1143 HD23 LEU 129 HD23 LEU 129 -4.252 2.148 15.675 1144 H VAL 130 H VAL 130 -6.446 7.419 13.905 1145 HA VAL 130 HA VAL 130 -3.968 8.081 12.415 1146 HB VAL 130 HB VAL 130 -6.570 9.686 12.366 1147 HG11 VAL 130 HG11 VAL 130 -4.023 9.952 10.711 1148 HG12 VAL 130 HG12 VAL 130 -4.590 11.075 11.952 1149 HG13 VAL 130 HG13 VAL 130 -5.507 10.886 10.456 1150 HG21 VAL 130 HG21 VAL 130 -6.915 8.833 10.073 1151 HG22 VAL 130 HG22 VAL 130 -6.904 7.513 11.243 1152 HG23 VAL 130 HG23 VAL 130 -5.485 7.806 10.233 1153 HA PRO 131 HA PRO 131 -3.258 10.294 16.445 1154 HB2 PRO 131 HB2 PRO 131 -0.422 10.134 15.523 1155 HB3 PRO 131 HB3 PRO 131 -1.129 9.636 17.065 1156 HG2 PRO 131 HG2 PRO 131 -0.321 7.817 15.261 1157 HG3 PRO 131 HG3 PRO 131 -1.777 7.547 16.247 1158 HD2 PRO 131 HD2 PRO 131 -1.581 8.510 13.384 1159 HD3 PRO 131 HD3 PRO 131 -2.657 7.276 14.082 1160 H VAL 132 H VAL 132 -1.909 12.349 16.815 1161 HA VAL 132 HA VAL 132 -2.798 14.347 15.039 1162 HB VAL 132 HB VAL 132 -1.545 15.935 16.485 1163 HG11 VAL 132 HG11 VAL 132 -3.109 13.839 18.034 1164 HG12 VAL 132 HG12 VAL 132 -3.792 15.218 17.172 1165 HG13 VAL 132 HG13 VAL 132 -2.774 15.482 18.589 1166 HG21 VAL 132 HG21 VAL 132 -0.278 15.124 18.461 1167 HG22 VAL 132 HG22 VAL 132 0.471 14.583 16.957 1168 HG23 VAL 132 HG23 VAL 132 -0.496 13.460 17.915 1169 H GLY 133 H GLY 133 0.147 12.522 15.080 1170 HA2 GLY 133 HA2 GLY 133 1.768 14.235 13.452 1171 HA3 GLY 133 HA3 GLY 133 2.011 12.518 13.738 1172 H GLY 134 H GLY 134 -0.849 12.090 12.762 1173 HA2 GLY 134 HA2 GLY 134 -2.096 11.911 10.832 1174 HA3 GLY 134 HA3 GLY 134 -0.866 12.792 9.945 1175 H GLN 135 H GLN 135 -2.268 10.343 9.154 1176 HA GLN 135 HA GLN 135 -0.094 8.320 9.089 1177 HB2 GLN 135 HB2 GLN 135 -3.099 7.971 8.663 1178 HB3 GLN 135 HB3 GLN 135 -1.910 6.686 8.465 1179 HG2 GLN 135 HG2 GLN 135 -2.551 8.148 11.029 1180 HG3 GLN 135 HG3 GLN 135 -3.062 6.515 10.608 1181 HE21 GLN 135 HE21 GLN 135 -0.419 8.518 11.640 1182 HE22 GLN 135 HE22 GLN 135 0.659 7.243 12.047 1183 H TYR 136 H TYR 136 0.854 7.896 7.190 1184 HA TYR 136 HA TYR 136 0.036 9.137 4.733 1185 HB2 TYR 136 HB2 TYR 136 2.266 7.220 5.454 1186 HB3 TYR 136 HB3 TYR 136 1.885 7.524 3.759 1187 HD1 TYR 136 HD1 TYR 136 1.398 10.254 3.403 1188 HD2 TYR 136 HD2 TYR 136 4.150 8.499 6.171 1189 HE1 TYR 136 HE1 TYR 136 2.715 12.315 3.404 1190 HE2 TYR 136 HE2 TYR 136 5.466 10.586 6.166 1191 HH TYR 136 HH TYR 136 5.789 12.530 4.458 1192 H LEU 137 H LEU 137 -1.844 8.516 3.966 1193 HA LEU 137 HA LEU 137 -2.867 5.841 3.901 1194 HB2 LEU 137 HB2 LEU 137 -4.029 8.280 3.698 1195 HB3 LEU 137 HB3 LEU 137 -3.822 7.975 1.990 1196 HG LEU 137 HG LEU 137 -5.512 6.387 3.957 1197 HD11 LEU 137 HD11 LEU 137 -7.398 7.109 2.550 1198 HD12 LEU 137 HD12 LEU 137 -6.290 8.050 1.545 1199 HD13 LEU 137 HD13 LEU 137 -6.521 8.475 3.243 1200 HD21 LEU 137 HD21 LEU 137 -5.074 5.717 1.022 1201 HD22 LEU 137 HD22 LEU 137 -6.230 4.939 2.104 1202 HD23 LEU 137 HD23 LEU 137 -4.502 4.774 2.398 1203 H ARG 138 H ARG 138 -2.033 4.283 2.543 1204 HA ARG 138 HA ARG 138 -1.072 5.066 -0.143 1205 HB2 ARG 138 HB2 ARG 138 0.703 3.443 -0.112 1206 HB3 ARG 138 HB3 ARG 138 0.852 4.380 1.358 1207 HG2 ARG 138 HG2 ARG 138 -0.371 1.602 1.241 1208 HG3 ARG 138 HG3 ARG 138 1.333 1.919 1.578 1209 HD2 ARG 138 HD2 ARG 138 -0.986 2.945 3.257 1210 HD3 ARG 138 HD3 ARG 138 -0.041 1.497 3.622 1211 HE ARG 138 HE ARG 138 1.447 3.994 3.348 1212 HH11 ARG 138 HH11 ARG 138 0.006 1.680 5.593 1213 HH12 ARG 138 HH12 ARG 138 0.877 2.305 6.956 1214 HH21 ARG 138 HH21 ARG 138 2.574 4.771 5.153 1215 HH22 ARG 138 HH22 ARG 138 2.320 4.057 6.713 1216 H GLU 139 H GLU 139 -2.073 4.030 -1.836 1217 HA GLU 139 HA GLU 139 -3.572 1.552 -1.316 1218 HB2 GLU 139 HB2 GLU 139 -5.104 3.436 -0.669 1219 HB3 GLU 139 HB3 GLU 139 -4.958 4.098 -2.290 1220 HG2 GLU 139 HG2 GLU 139 -7.051 2.922 -2.096 1221 HG3 GLU 139 HG3 GLU 139 -5.995 2.066 -3.217 Start of MODEL 8 1 H MET 1 H MET 1 1.840 -0.778 1.102 2 HA MET 1 HA MET 1 3.890 -0.627 -0.118 3 HB2 MET 1 HB2 MET 1 1.749 -1.396 -1.204 4 HB3 MET 1 HB3 MET 1 1.493 0.233 -1.786 5 HG2 MET 1 HG2 MET 1 3.547 0.069 -3.147 6 HG3 MET 1 HG3 MET 1 3.765 -1.594 -2.594 7 HE1 MET 1 HE1 MET 1 3.915 -2.224 -5.257 8 HE2 MET 1 HE2 MET 1 3.532 -0.572 -5.743 9 HE3 MET 1 HE3 MET 1 2.599 -1.922 -6.390 10 H SER 2 H SER 2 5.213 0.604 -1.652 11 HA SER 2 HA SER 2 5.657 3.273 -0.731 12 HB2 SER 2 HB2 SER 2 6.993 1.749 -3.007 13 HB3 SER 2 HB3 SER 2 7.624 3.193 -2.213 14 HG SER 2 HG SER 2 7.903 0.648 -1.500 15 H LYS 3 H LYS 3 3.604 2.111 -3.210 16 HA LYS 3 HA LYS 3 3.774 4.185 -5.138 17 HB2 LYS 3 HB2 LYS 3 1.493 3.520 -5.836 18 HB3 LYS 3 HB3 LYS 3 2.530 2.116 -5.607 19 HG2 LYS 3 HG2 LYS 3 1.464 1.549 -3.534 20 HG3 LYS 3 HG3 LYS 3 0.576 3.078 -3.484 21 HD2 LYS 3 HD2 LYS 3 0.175 0.971 -5.648 22 HD3 LYS 3 HD3 LYS 3 -0.774 1.034 -4.160 23 HE2 LYS 3 HE2 LYS 3 -1.497 3.357 -4.781 24 HE3 LYS 3 HE3 LYS 3 -0.646 3.176 -6.318 25 HZ1 LYS 3 HZ1 LYS 3 -2.808 1.352 -5.417 26 HZ2 LYS 3 HZ2 LYS 3 -2.120 1.456 -6.961 27 HZ3 LYS 3 HZ3 LYS 3 -3.076 2.718 -6.372 28 H ILE 4 H ILE 4 2.367 4.106 -1.955 29 HA ILE 4 HA ILE 4 1.248 5.541 -0.632 30 HB ILE 4 HB ILE 4 2.153 7.756 -2.550 31 HG12 ILE 4 HG12 ILE 4 4.099 6.374 -1.910 32 HG13 ILE 4 HG13 ILE 4 4.209 7.955 -1.151 33 HG21 ILE 4 HG21 ILE 4 1.478 7.898 0.422 34 HG22 ILE 4 HG22 ILE 4 0.580 8.649 -0.900 35 HG23 ILE 4 HG23 ILE 4 2.200 9.216 -0.508 36 HD11 ILE 4 HD11 ILE 4 3.371 5.375 0.182 37 HD12 ILE 4 HD12 ILE 4 3.412 6.957 0.970 38 HD13 ILE 4 HD13 ILE 4 4.903 6.226 0.377 39 H VAL 5 H VAL 5 -0.673 7.396 -0.845 40 HA VAL 5 HA VAL 5 -1.824 7.617 -3.516 41 HB VAL 5 HB VAL 5 -4.225 7.630 -2.517 42 HG11 VAL 5 HG11 VAL 5 -3.520 5.895 -4.087 43 HG12 VAL 5 HG12 VAL 5 -4.591 5.222 -2.858 44 HG13 VAL 5 HG13 VAL 5 -2.845 4.934 -2.764 45 HG21 VAL 5 HG21 VAL 5 -2.939 5.956 -0.332 46 HG22 VAL 5 HG22 VAL 5 -4.673 6.209 -0.558 47 HG23 VAL 5 HG23 VAL 5 -3.632 7.567 -0.126 48 H GLY 6 H GLY 6 -1.870 8.591 -0.102 49 HA2 GLY 6 HA2 GLY 6 -1.380 11.352 -0.700 50 HA3 GLY 6 HA3 GLY 6 -3.034 11.049 -0.166 51 H VAL 7 H VAL 7 -2.335 12.530 1.571 52 HA VAL 7 HA VAL 7 -1.300 10.925 3.846 53 HB VAL 7 HB VAL 7 0.225 12.849 3.186 54 HG11 VAL 7 HG11 VAL 7 -0.394 15.165 3.746 55 HG12 VAL 7 HG12 VAL 7 -2.027 14.643 4.157 56 HG13 VAL 7 HG13 VAL 7 -1.454 14.509 2.493 57 HG21 VAL 7 HG21 VAL 7 -0.956 13.010 5.983 58 HG22 VAL 7 HG22 VAL 7 0.613 13.659 5.495 59 HG23 VAL 7 HG23 VAL 7 0.326 11.917 5.452 60 H THR 8 H THR 8 -2.516 11.039 5.745 61 HA THR 8 HA THR 8 -5.117 12.440 5.599 62 HB THR 8 HB THR 8 -5.567 10.067 5.440 63 HG1 THR 8 HG1 THR 8 -6.948 11.316 6.816 64 HG21 THR 8 HG21 THR 8 -3.967 9.676 7.997 65 HG22 THR 8 HG22 THR 8 -3.502 9.129 6.384 66 HG23 THR 8 HG23 THR 8 -4.917 8.433 7.174 67 H TYR 9 H TYR 9 -5.594 13.784 7.195 68 HA TYR 9 HA TYR 9 -4.074 13.761 9.727 69 HB2 TYR 9 HB2 TYR 9 -4.385 16.051 7.781 70 HB3 TYR 9 HB3 TYR 9 -4.451 16.442 9.491 71 HD1 TYR 9 HD1 TYR 9 -2.485 16.157 10.925 72 HD2 TYR 9 HD2 TYR 9 -2.248 15.354 6.734 73 HE1 TYR 9 HE1 TYR 9 -0.043 16.233 11.053 74 HE2 TYR 9 HE2 TYR 9 0.208 15.433 6.865 75 HH TYR 9 HH TYR 9 1.899 15.174 9.659 76 HA PRO 10 HA PRO 10 -8.211 14.062 11.472 77 HB2 PRO 10 HB2 PRO 10 -7.578 14.853 14.018 78 HB3 PRO 10 HB3 PRO 10 -7.290 13.211 13.431 79 HG2 PRO 10 HG2 PRO 10 -5.341 15.507 13.631 80 HG3 PRO 10 HG3 PRO 10 -5.124 13.816 14.129 81 HD2 PRO 10 HD2 PRO 10 -4.149 14.751 11.784 82 HD3 PRO 10 HD3 PRO 10 -4.751 13.086 11.948 83 H ILE 11 H ILE 11 -6.050 16.692 11.101 84 HA ILE 11 HA ILE 11 -6.010 18.905 11.517 85 HB ILE 11 HB ILE 11 -8.928 18.949 10.647 86 HG12 ILE 11 HG12 ILE 11 -7.658 17.513 9.045 87 HG13 ILE 11 HG13 ILE 11 -8.214 18.999 8.289 88 HG21 ILE 11 HG21 ILE 11 -8.037 21.110 11.396 89 HG22 ILE 11 HG22 ILE 11 -8.333 21.151 9.657 90 HG23 ILE 11 HG23 ILE 11 -6.686 20.970 10.267 91 HD11 ILE 11 HD11 ILE 11 -5.396 18.455 9.239 92 HD12 ILE 11 HD12 ILE 11 -5.958 19.925 8.436 93 HD13 ILE 11 HD13 ILE 11 -5.974 18.387 7.574 94 HA PRO 12 HA PRO 12 -8.180 18.404 15.645 95 HB2 PRO 12 HB2 PRO 12 -6.049 18.177 17.266 96 HB3 PRO 12 HB3 PRO 12 -6.491 16.837 16.194 97 HG2 PRO 12 HG2 PRO 12 -4.332 18.915 15.849 98 HG3 PRO 12 HG3 PRO 12 -4.260 17.165 15.553 99 HD2 PRO 12 HD2 PRO 12 -4.714 19.095 13.577 100 HD3 PRO 12 HD3 PRO 12 -5.133 17.375 13.428 101 H LYS 13 H LYS 13 -8.328 20.741 14.438 102 HA LYS 13 HA LYS 13 -7.528 22.805 16.330 103 HB2 LYS 13 HB2 LYS 13 -5.804 22.318 14.205 104 HB3 LYS 13 HB3 LYS 13 -6.873 23.500 13.472 105 HG2 LYS 13 HG2 LYS 13 -5.018 24.702 14.346 106 HG3 LYS 13 HG3 LYS 13 -6.372 25.035 15.434 107 HD2 LYS 13 HD2 LYS 13 -5.488 23.319 17.018 108 HD3 LYS 13 HD3 LYS 13 -4.130 23.028 15.926 109 HE2 LYS 13 HE2 LYS 13 -3.409 24.487 17.730 110 HE3 LYS 13 HE3 LYS 13 -3.423 25.411 16.228 111 HZ1 LYS 13 HZ1 LYS 13 -4.369 26.631 18.105 112 HZ2 LYS 13 HZ2 LYS 13 -5.576 25.460 18.287 113 HZ3 LYS 13 HZ3 LYS 13 -5.516 26.402 16.883 114 H ARG 14 H ARG 14 -8.560 24.909 15.703 115 HA ARG 14 HA ARG 14 -11.315 24.760 15.208 116 HB2 ARG 14 HB2 ARG 14 -10.106 26.603 16.406 117 HB3 ARG 14 HB3 ARG 14 -9.451 27.150 14.866 118 HG2 ARG 14 HG2 ARG 14 -11.861 27.542 14.115 119 HG3 ARG 14 HG3 ARG 14 -12.345 27.222 15.786 120 HD2 ARG 14 HD2 ARG 14 -10.532 29.461 14.805 121 HD3 ARG 14 HD3 ARG 14 -12.174 29.625 15.430 122 HE ARG 14 HE ARG 14 -11.176 28.680 17.586 123 HH11 ARG 14 HH11 ARG 14 -9.366 30.751 15.398 124 HH12 ARG 14 HH12 ARG 14 -8.309 31.347 16.635 125 HH21 ARG 14 HH21 ARG 14 -9.819 29.489 19.202 126 HH22 ARG 14 HH22 ARG 14 -8.589 30.647 18.808 127 H PHE 15 H PHE 15 -8.688 24.893 12.994 128 HA PHE 15 HA PHE 15 -10.029 26.296 10.838 129 HB2 PHE 15 HB2 PHE 15 -7.275 25.014 10.816 130 HB3 PHE 15 HB3 PHE 15 -7.867 26.312 9.779 131 HD1 PHE 15 HD1 PHE 15 -8.901 28.383 11.349 132 HD2 PHE 15 HD2 PHE 15 -5.716 25.731 12.395 133 HE1 PHE 15 HE1 PHE 15 -8.046 30.032 12.960 134 HE2 PHE 15 HE2 PHE 15 -4.870 27.386 13.999 135 HZ PHE 15 HZ PHE 15 -6.036 29.528 14.286 136 H MET 16 H MET 16 -10.535 23.324 11.779 137 HA MET 16 HA MET 16 -10.262 21.575 9.618 138 HB2 MET 16 HB2 MET 16 -12.298 20.417 10.660 139 HB3 MET 16 HB3 MET 16 -10.940 20.698 11.742 140 HG2 MET 16 HG2 MET 16 -12.108 22.733 12.601 141 HG3 MET 16 HG3 MET 16 -13.502 22.299 11.611 142 HE1 MET 16 HE1 MET 16 -13.108 22.710 14.958 143 HE2 MET 16 HE2 MET 16 -14.308 21.540 15.504 144 HE3 MET 16 HE3 MET 16 -14.686 22.627 14.168 145 H ASP 17 H ASP 17 -12.632 24.141 10.162 146 HA ASP 17 HA ASP 17 -14.520 23.351 8.160 147 HB2 ASP 17 HB2 ASP 17 -14.109 26.055 9.494 148 HB3 ASP 17 HB3 ASP 17 -15.517 25.604 8.530 149 H ARG 18 H ARG 18 -11.544 25.093 8.000 150 HA ARG 18 HA ARG 18 -11.962 27.050 6.065 151 HB2 ARG 18 HB2 ARG 18 -9.460 25.419 6.647 152 HB3 ARG 18 HB3 ARG 18 -9.477 26.844 5.612 153 HG2 ARG 18 HG2 ARG 18 -10.202 26.816 8.551 154 HG3 ARG 18 HG3 ARG 18 -8.649 27.303 7.879 155 HD2 ARG 18 HD2 ARG 18 -9.753 29.343 8.248 156 HD3 ARG 18 HD3 ARG 18 -9.994 29.053 6.528 157 HE ARG 18 HE ARG 18 -12.240 28.939 6.893 158 HH11 ARG 18 HH11 ARG 18 -10.643 28.629 10.017 159 HH12 ARG 18 HH12 ARG 18 -12.129 28.550 10.907 160 HH21 ARG 18 HH21 ARG 18 -14.190 28.822 8.098 161 HH22 ARG 18 HH22 ARG 18 -14.117 28.656 9.823 162 H PHE 19 H PHE 19 -10.803 23.753 5.548 163 HA PHE 19 HA PHE 19 -10.322 23.897 2.777 164 HB2 PHE 19 HB2 PHE 19 -11.075 21.416 4.388 165 HB3 PHE 19 HB3 PHE 19 -10.211 21.433 2.856 166 HD1 PHE 19 HD1 PHE 19 -9.924 22.103 6.497 167 HD2 PHE 19 HD2 PHE 19 -7.819 21.896 2.776 168 HE1 PHE 19 HE1 PHE 19 -7.779 22.129 7.701 169 HE2 PHE 19 HE2 PHE 19 -5.684 21.919 3.991 170 HZ PHE 19 HZ PHE 19 -5.663 22.045 6.447 171 H PHE 20 H PHE 20 -13.252 23.325 4.605 172 HA PHE 20 HA PHE 20 -14.804 22.402 2.276 173 HB2 PHE 20 HB2 PHE 20 -15.688 22.594 5.192 174 HB3 PHE 20 HB3 PHE 20 -16.480 21.701 3.897 175 HD1 PHE 20 HD1 PHE 20 -15.138 19.768 2.795 176 HD2 PHE 20 HD2 PHE 20 -14.066 21.494 6.552 177 HE1 PHE 20 HE1 PHE 20 -13.792 17.782 3.325 178 HE2 PHE 20 HE2 PHE 20 -12.725 19.500 7.073 179 HZ PHE 20 HZ PHE 20 -12.587 17.645 5.461 180 H LYS 21 H LYS 21 -14.140 25.243 4.017 181 HA LYS 21 HA LYS 21 -16.617 26.677 3.605 182 HB2 LYS 21 HB2 LYS 21 -15.147 27.160 5.524 183 HB3 LYS 21 HB3 LYS 21 -13.816 27.564 4.458 184 HG2 LYS 21 HG2 LYS 21 -16.361 29.190 4.336 185 HG3 LYS 21 HG3 LYS 21 -15.227 29.450 5.662 186 HD2 LYS 21 HD2 LYS 21 -13.424 29.917 3.959 187 HD3 LYS 21 HD3 LYS 21 -14.641 29.772 2.686 188 HE2 LYS 21 HE2 LYS 21 -14.626 31.835 4.918 189 HE3 LYS 21 HE3 LYS 21 -14.235 32.132 3.225 190 HZ1 LYS 21 HZ1 LYS 21 -16.477 32.824 3.723 191 HZ2 LYS 21 HZ2 LYS 21 -16.879 31.284 4.282 192 HZ3 LYS 21 HZ3 LYS 21 -16.516 31.522 2.646 193 H LYS 22 H LYS 22 -13.303 26.922 2.314 194 HA LYS 22 HA LYS 22 -14.182 28.785 0.215 195 HB2 LYS 22 HB2 LYS 22 -11.776 29.250 -0.063 196 HB3 LYS 22 HB3 LYS 22 -12.252 29.397 1.627 197 HG2 LYS 22 HG2 LYS 22 -11.391 26.955 1.874 198 HG3 LYS 22 HG3 LYS 22 -10.621 27.211 0.311 199 HD2 LYS 22 HD2 LYS 22 -8.990 27.630 2.028 200 HD3 LYS 22 HD3 LYS 22 -9.398 29.183 1.301 201 HE2 LYS 22 HE2 LYS 22 -10.768 29.773 3.220 202 HE3 LYS 22 HE3 LYS 22 -10.607 28.150 3.895 203 HZ1 LYS 22 HZ1 LYS 22 -8.347 30.024 3.490 204 HZ2 LYS 22 HZ2 LYS 22 -8.278 28.520 4.253 205 HZ3 LYS 22 HZ3 LYS 22 -9.148 29.790 4.959 206 H GLY 23 H GLY 23 -13.352 25.446 0.576 207 HA2 GLY 23 HA2 GLY 23 -13.495 23.718 -0.954 208 HA3 GLY 23 HA3 GLY 23 -13.841 24.881 -2.220 209 H LYS 24 H LYS 24 -11.148 26.176 -1.083 210 HA LYS 24 HA LYS 24 -9.161 24.367 -2.153 211 HB2 LYS 24 HB2 LYS 24 -8.295 26.426 -3.642 212 HB3 LYS 24 HB3 LYS 24 -9.418 25.235 -4.255 213 HG2 LYS 24 HG2 LYS 24 -10.156 27.376 -4.993 214 HG3 LYS 24 HG3 LYS 24 -11.302 26.808 -3.778 215 HD2 LYS 24 HD2 LYS 24 -10.362 28.320 -2.115 216 HD3 LYS 24 HD3 LYS 24 -9.062 28.787 -3.216 217 HE2 LYS 24 HE2 LYS 24 -10.799 30.522 -3.116 218 HE3 LYS 24 HE3 LYS 24 -10.701 29.829 -4.733 219 HZ1 LYS 24 HZ1 LYS 24 -12.731 29.142 -2.675 220 HZ2 LYS 24 HZ2 LYS 24 -12.648 28.489 -4.232 221 HZ3 LYS 24 HZ3 LYS 24 -12.978 30.133 -4.020 222 H ASP 25 H ASP 25 -8.156 24.296 -0.230 223 HA ASP 25 HA ASP 25 -7.389 26.797 1.151 224 HB2 ASP 25 HB2 ASP 25 -8.816 25.049 2.334 225 HB3 ASP 25 HB3 ASP 25 -7.430 23.967 2.266 226 H VAL 26 H VAL 26 -5.226 26.455 2.479 227 HA VAL 26 HA VAL 26 -3.215 24.892 0.991 228 HB VAL 26 HB VAL 26 -2.892 27.784 1.925 229 HG11 VAL 26 HG11 VAL 26 -0.550 27.663 1.107 230 HG12 VAL 26 HG12 VAL 26 -0.747 25.932 0.816 231 HG13 VAL 26 HG13 VAL 26 -0.832 26.565 2.461 232 HG21 VAL 26 HG21 VAL 26 -4.012 27.587 -0.254 233 HG22 VAL 26 HG22 VAL 26 -2.694 26.585 -0.864 234 HG23 VAL 26 HG23 VAL 26 -2.398 28.277 -0.450 235 H PHE 27 H PHE 27 -2.614 23.372 2.403 236 HA PHE 27 HA PHE 27 -2.711 23.797 5.294 237 HB2 PHE 27 HB2 PHE 27 -3.689 21.718 4.338 238 HB3 PHE 27 HB3 PHE 27 -2.119 21.267 3.688 239 HD1 PHE 27 HD1 PHE 27 -3.987 21.848 6.858 240 HD2 PHE 27 HD2 PHE 27 -0.534 20.089 5.062 241 HE1 PHE 27 HE1 PHE 27 -3.498 20.671 8.952 242 HE2 PHE 27 HE2 PHE 27 -0.051 18.912 7.163 243 HZ PHE 27 HZ PHE 27 -1.530 19.198 9.110 244 H VAL 28 H VAL 28 -0.941 24.678 6.206 245 HA VAL 28 HA VAL 28 1.731 24.242 5.070 246 HB VAL 28 HB VAL 28 2.480 26.073 6.616 247 HG11 VAL 28 HG11 VAL 28 1.366 27.920 5.361 248 HG12 VAL 28 HG12 VAL 28 0.158 26.777 4.767 249 HG13 VAL 28 HG13 VAL 28 1.850 26.596 4.297 250 HG21 VAL 28 HG21 VAL 28 -0.491 26.348 7.280 251 HG22 VAL 28 HG22 VAL 28 0.782 27.481 7.759 252 HG23 VAL 28 HG23 VAL 28 0.783 25.837 8.395 253 H LYS 29 H LYS 29 3.355 23.235 6.106 254 HA LYS 29 HA LYS 29 3.153 22.514 8.945 255 HB2 LYS 29 HB2 LYS 29 3.682 20.613 6.638 256 HB3 LYS 29 HB3 LYS 29 4.561 20.339 8.144 257 HG2 LYS 29 HG2 LYS 29 1.562 20.249 7.712 258 HG3 LYS 29 HG3 LYS 29 2.636 18.944 8.237 259 HD2 LYS 29 HD2 LYS 29 3.101 20.369 10.334 260 HD3 LYS 29 HD3 LYS 29 1.771 21.404 9.813 261 HE2 LYS 29 HE2 LYS 29 0.874 19.912 11.436 262 HE3 LYS 29 HE3 LYS 29 0.297 19.319 9.878 263 HZ1 LYS 29 HZ1 LYS 29 2.000 17.635 9.908 264 HZ2 LYS 29 HZ2 LYS 29 1.102 17.548 11.339 265 HZ3 LYS 29 HZ3 LYS 29 2.643 18.247 11.347 266 HA PRO 30 HA PRO 30 7.484 23.992 8.930 267 HB2 PRO 30 HB2 PRO 30 7.860 22.866 11.612 268 HB3 PRO 30 HB3 PRO 30 7.698 24.560 11.149 269 HG2 PRO 30 HG2 PRO 30 5.798 23.170 12.592 270 HG3 PRO 30 HG3 PRO 30 5.444 24.598 11.603 271 HD2 PRO 30 HD2 PRO 30 5.011 21.689 10.960 272 HD3 PRO 30 HD3 PRO 30 3.989 23.106 10.586 273 H ALA 31 H ALA 31 7.230 21.807 7.401 274 HA ALA 31 HA ALA 31 7.901 19.793 6.664 275 HB1 ALA 31 HB1 ALA 31 10.056 20.976 6.567 276 HB2 ALA 31 HB2 ALA 31 10.294 19.260 6.909 277 HB3 ALA 31 HB3 ALA 31 10.431 20.448 8.208 278 H THR 32 H THR 32 6.234 18.759 7.951 279 HA THR 32 HA THR 32 7.167 17.135 10.236 280 HB THR 32 HB THR 32 4.332 17.520 9.174 281 HG1 THR 32 HG1 THR 32 5.892 19.008 10.902 282 HG21 THR 32 HG21 THR 32 5.296 16.253 11.770 283 HG22 THR 32 HG22 THR 32 4.580 15.389 10.405 284 HG23 THR 32 HG23 THR 32 3.611 16.542 11.327 285 H VAL 33 H VAL 33 5.487 16.890 7.131 286 HA VAL 33 HA VAL 33 5.630 14.005 7.021 287 HB VAL 33 HB VAL 33 4.554 14.277 4.764 288 HG11 VAL 33 HG11 VAL 33 3.142 15.742 7.029 289 HG12 VAL 33 HG12 VAL 33 3.143 13.997 6.759 290 HG13 VAL 33 HG13 VAL 33 2.362 15.066 5.594 291 HG21 VAL 33 HG21 VAL 33 3.744 16.516 4.073 292 HG22 VAL 33 HG22 VAL 33 5.504 16.446 4.124 293 HG23 VAL 33 HG23 VAL 33 4.618 17.246 5.424 294 H TRP 34 H TRP 34 6.721 12.819 5.451 295 HA TRP 34 HA TRP 34 9.404 13.718 4.904 296 HB2 TRP 34 HB2 TRP 34 7.956 11.066 4.562 297 HB3 TRP 34 HB3 TRP 34 9.623 11.296 4.050 298 HD1 TRP 34 HD1 TRP 34 7.488 11.217 7.271 299 HE1 TRP 34 HE1 TRP 34 9.044 10.715 9.253 300 HE3 TRP 34 HE3 TRP 34 11.997 11.410 4.843 301 HZ2 TRP 34 HZ2 TRP 34 11.809 10.443 9.743 302 HZ3 TRP 34 HZ3 TRP 34 14.056 11.016 6.143 303 HH2 TRP 34 HH2 TRP 34 13.958 10.542 8.544 304 H LYS 35 H LYS 35 9.942 12.157 2.576 305 HA LYS 35 HA LYS 35 9.698 14.237 0.647 306 HB2 LYS 35 HB2 LYS 35 10.695 11.398 0.200 307 HB3 LYS 35 HB3 LYS 35 11.100 12.823 -0.756 308 HG2 LYS 35 HG2 LYS 35 11.920 12.321 2.136 309 HG3 LYS 35 HG3 LYS 35 12.957 12.114 0.720 310 HD2 LYS 35 HD2 LYS 35 11.732 14.752 1.641 311 HD3 LYS 35 HD3 LYS 35 13.398 14.249 1.931 312 HE2 LYS 35 HE2 LYS 35 13.759 14.177 -0.545 313 HE3 LYS 35 HE3 LYS 35 12.115 14.780 -0.772 314 HZ1 LYS 35 HZ1 LYS 35 13.760 16.536 -0.897 315 HZ2 LYS 35 HZ2 LYS 35 14.282 16.193 0.670 316 HZ3 LYS 35 HZ3 LYS 35 12.719 16.778 0.414 317 H GLU 36 H GLU 36 7.630 11.624 1.376 318 HA GLU 36 HA GLU 36 6.773 10.823 -1.205 319 HB2 GLU 36 HB2 GLU 36 5.249 10.614 1.420 320 HB3 GLU 36 HB3 GLU 36 4.868 9.734 -0.061 321 HG2 GLU 36 HG2 GLU 36 7.302 9.410 1.720 322 HG3 GLU 36 HG3 GLU 36 6.007 8.248 1.442 323 H LEU 37 H LEU 37 5.873 13.575 0.758 324 HA LEU 37 HA LEU 37 3.351 14.137 -0.399 325 HB2 LEU 37 HB2 LEU 37 4.828 15.226 1.693 326 HB3 LEU 37 HB3 LEU 37 4.910 16.509 0.509 327 HG LEU 37 HG LEU 37 3.072 17.002 1.955 328 HD11 LEU 37 HD11 LEU 37 2.635 17.445 -0.421 329 HD12 LEU 37 HD12 LEU 37 1.165 17.102 0.487 330 HD13 LEU 37 HD13 LEU 37 1.851 15.864 -0.572 331 HD21 LEU 37 HD21 LEU 37 1.219 15.479 2.406 332 HD22 LEU 37 HD22 LEU 37 2.752 14.789 2.931 333 HD23 LEU 37 HD23 LEU 37 1.995 14.218 1.440 334 H LYS 38 H LYS 38 3.025 14.521 -2.494 335 HA LYS 38 HA LYS 38 4.777 16.302 -4.023 336 HB2 LYS 38 HB2 LYS 38 4.980 14.754 -5.885 337 HB3 LYS 38 HB3 LYS 38 5.558 13.970 -4.434 338 HG2 LYS 38 HG2 LYS 38 4.372 12.234 -5.416 339 HG3 LYS 38 HG3 LYS 38 3.143 12.906 -4.349 340 HD2 LYS 38 HD2 LYS 38 2.237 12.378 -6.602 341 HD3 LYS 38 HD3 LYS 38 2.101 14.089 -6.223 342 HE2 LYS 38 HE2 LYS 38 4.041 14.588 -7.629 343 HE3 LYS 38 HE3 LYS 38 4.286 12.869 -7.949 344 HZ1 LYS 38 HZ1 LYS 38 2.134 12.820 -9.056 345 HZ2 LYS 38 HZ2 LYS 38 3.166 13.949 -9.775 346 HZ3 LYS 38 HZ3 LYS 38 1.923 14.474 -8.759 347 HA PRO 39 HA PRO 39 0.864 17.905 -5.462 348 HB2 PRO 39 HB2 PRO 39 1.537 19.005 -7.872 349 HB3 PRO 39 HB3 PRO 39 2.065 19.696 -6.331 350 HG2 PRO 39 HG2 PRO 39 3.582 17.919 -8.231 351 HG3 PRO 39 HG3 PRO 39 4.136 19.374 -7.379 352 HD2 PRO 39 HD2 PRO 39 4.702 16.840 -6.514 353 HD3 PRO 39 HD3 PRO 39 4.529 18.221 -5.398 354 H GLY 40 H GLY 40 -0.448 16.149 -5.741 355 HA2 GLY 40 HA2 GLY 40 -1.627 15.357 -8.010 356 HA3 GLY 40 HA3 GLY 40 -0.197 14.332 -8.018 357 H MET 41 H MET 41 -0.485 14.534 -4.923 358 HA MET 41 HA MET 41 -1.795 12.006 -4.543 359 HB2 MET 41 HB2 MET 41 -0.597 14.027 -2.600 360 HB3 MET 41 HB3 MET 41 -1.198 12.447 -2.111 361 HG2 MET 41 HG2 MET 41 0.537 11.314 -3.264 362 HG3 MET 41 HG3 MET 41 0.966 12.748 -4.196 363 HE1 MET 41 HE1 MET 41 1.903 12.402 0.336 364 HE2 MET 41 HE2 MET 41 1.025 11.154 -0.546 365 HE3 MET 41 HE3 MET 41 0.272 12.725 -0.257 366 H LYS 42 H LYS 42 -3.337 11.791 -2.597 367 HA LYS 42 HA LYS 42 -5.430 13.883 -2.585 368 HB2 LYS 42 HB2 LYS 42 -6.761 12.125 -1.289 369 HB3 LYS 42 HB3 LYS 42 -6.510 11.832 -3.000 370 HG2 LYS 42 HG2 LYS 42 -4.950 10.089 -2.568 371 HG3 LYS 42 HG3 LYS 42 -4.770 10.556 -0.878 372 HD2 LYS 42 HD2 LYS 42 -6.169 8.458 -1.322 373 HD3 LYS 42 HD3 LYS 42 -6.916 9.688 -0.295 374 HE2 LYS 42 HE2 LYS 42 -8.218 10.504 -2.255 375 HE3 LYS 42 HE3 LYS 42 -7.497 9.239 -3.249 376 HZ1 LYS 42 HZ1 LYS 42 -9.628 8.516 -2.533 377 HZ2 LYS 42 HZ2 LYS 42 -9.313 8.920 -0.923 378 HZ3 LYS 42 HZ3 LYS 42 -8.498 7.622 -1.645 379 H PHE 43 H PHE 43 -6.415 14.368 -0.464 380 HA PHE 43 HA PHE 43 -4.702 13.929 1.888 381 HB2 PHE 43 HB2 PHE 43 -4.375 16.250 0.757 382 HB3 PHE 43 HB3 PHE 43 -5.985 16.632 1.336 383 HD1 PHE 43 HD1 PHE 43 -5.956 15.508 4.102 384 HD2 PHE 43 HD2 PHE 43 -2.911 17.602 1.953 385 HE1 PHE 43 HE1 PHE 43 -5.021 16.322 6.211 386 HE2 PHE 43 HE2 PHE 43 -1.981 18.403 4.072 387 HZ PHE 43 HZ PHE 43 -3.031 17.771 6.201 388 H VAL 44 H VAL 44 -6.089 12.565 2.932 389 HA VAL 44 HA VAL 44 -8.962 13.084 2.925 390 HB VAL 44 HB VAL 44 -7.479 10.744 4.199 391 HG11 VAL 44 HG11 VAL 44 -10.416 11.075 3.458 392 HG12 VAL 44 HG12 VAL 44 -9.761 11.093 5.097 393 HG13 VAL 44 HG13 VAL 44 -9.679 9.618 4.132 394 HG21 VAL 44 HG21 VAL 44 -7.028 10.812 1.774 395 HG22 VAL 44 HG22 VAL 44 -8.758 10.938 1.437 396 HG23 VAL 44 HG23 VAL 44 -8.104 9.467 2.162 397 H PHE 45 H PHE 45 -9.914 14.192 4.458 398 HA PHE 45 HA PHE 45 -8.483 15.001 6.867 399 HB2 PHE 45 HB2 PHE 45 -11.209 15.924 5.845 400 HB3 PHE 45 HB3 PHE 45 -10.248 16.686 7.111 401 HD1 PHE 45 HD1 PHE 45 -7.793 17.428 6.356 402 HD2 PHE 45 HD2 PHE 45 -11.067 16.815 3.681 403 HE1 PHE 45 HE1 PHE 45 -6.695 18.840 4.674 404 HE2 PHE 45 HE2 PHE 45 -9.961 18.224 2.013 405 HZ PHE 45 HZ PHE 45 -7.776 19.239 2.503 406 H TYR 46 H TYR 46 -8.580 13.517 8.426 407 HA TYR 46 HA TYR 46 -10.903 11.955 9.134 408 HB2 TYR 46 HB2 TYR 46 -8.643 11.041 9.416 409 HB3 TYR 46 HB3 TYR 46 -8.173 12.394 10.433 410 HD1 TYR 46 HD1 TYR 46 -11.025 9.905 10.478 411 HD2 TYR 46 HD2 TYR 46 -7.812 11.703 12.647 412 HE1 TYR 46 HE1 TYR 46 -11.616 8.589 12.469 413 HE2 TYR 46 HE2 TYR 46 -8.406 10.393 14.632 414 HH TYR 46 HH TYR 46 -10.320 9.221 15.570 415 H GLN 47 H GLN 47 -11.656 12.061 11.500 416 HA GLN 47 HA GLN 47 -12.702 13.003 13.228 417 HB2 GLN 47 HB2 GLN 47 -10.622 14.115 13.850 418 HB3 GLN 47 HB3 GLN 47 -10.911 15.400 12.686 419 HG2 GLN 47 HG2 GLN 47 -12.865 16.154 14.011 420 HG3 GLN 47 HG3 GLN 47 -12.565 14.861 15.175 421 HE21 GLN 47 HE21 GLN 47 -11.292 17.871 13.845 422 HE22 GLN 47 HE22 GLN 47 -10.245 18.232 15.169 423 H SER 48 H SER 48 -14.714 12.968 12.434 424 HA SER 48 HA SER 48 -15.783 14.221 10.215 425 HB2 SER 48 HB2 SER 48 -18.021 13.665 11.261 426 HB3 SER 48 HB3 SER 48 -16.878 12.317 11.262 427 HG SER 48 HG SER 48 -18.038 12.769 13.290 428 H HIS 49 H HIS 49 -15.597 15.308 13.478 429 HA HIS 49 HA HIS 49 -15.259 17.988 13.155 430 HB2 HIS 49 HB2 HIS 49 -17.582 18.224 12.310 431 HB3 HIS 49 HB3 HIS 49 -18.221 17.375 13.713 432 HD1 HIS 49 HD1 HIS 49 -18.732 18.769 15.754 433 HD2 HIS 49 HD2 HIS 49 -16.493 20.857 12.949 434 HE1 HIS 49 HE1 HIS 49 -18.583 21.114 16.633 435 HE2 HIS 49 HE2 HIS 49 -17.396 22.395 14.820 436 H GLU 50 H GLU 50 -16.714 15.385 14.948 437 HA GLU 50 HA GLU 50 -15.553 16.312 17.498 438 HB2 GLU 50 HB2 GLU 50 -17.932 16.992 17.438 439 HB3 GLU 50 HB3 GLU 50 -18.420 15.348 17.054 440 HG2 GLU 50 HG2 GLU 50 -18.846 15.890 19.401 441 HG3 GLU 50 HG3 GLU 50 -17.674 14.579 19.248 442 H ASP 51 H ASP 51 -17.263 13.630 15.826 443 HA ASP 51 HA ASP 51 -16.027 11.650 17.620 444 HB2 ASP 51 HB2 ASP 51 -18.478 11.575 17.279 445 HB3 ASP 51 HB3 ASP 51 -18.254 11.382 15.545 446 H THR 52 H THR 52 -15.304 9.581 16.670 447 HA THR 52 HA THR 52 -13.212 9.825 14.803 448 HB THR 52 HB THR 52 -13.095 7.315 14.987 449 HG1 THR 52 HG1 THR 52 -15.381 6.958 15.210 450 HG21 THR 52 HG21 THR 52 -12.629 7.202 17.411 451 HG22 THR 52 HG22 THR 52 -13.454 8.745 17.645 452 HG23 THR 52 HG23 THR 52 -11.965 8.677 16.698 453 H GLY 53 H GLY 53 -13.348 9.941 12.676 454 HA2 GLY 53 HA2 GLY 53 -14.352 8.312 10.787 455 HA3 GLY 53 HA3 GLY 53 -15.742 9.339 11.155 456 H PHE 54 H PHE 54 -14.505 9.393 8.607 457 HA PHE 54 HA PHE 54 -12.727 11.683 8.484 458 HB2 PHE 54 HB2 PHE 54 -14.012 10.077 6.237 459 HB3 PHE 54 HB3 PHE 54 -12.803 11.335 6.017 460 HD1 PHE 54 HD1 PHE 54 -10.630 10.871 7.687 461 HD2 PHE 54 HD2 PHE 54 -13.170 7.914 5.953 462 HE1 PHE 54 HE1 PHE 54 -8.817 9.223 7.846 463 HE2 PHE 54 HE2 PHE 54 -11.351 6.267 6.110 464 HZ PHE 54 HZ PHE 54 -9.174 6.920 7.053 465 H VAL 55 H VAL 55 -13.378 13.738 8.242 466 HA VAL 55 HA VAL 55 -16.148 14.462 7.880 467 HB VAL 55 HB VAL 55 -14.854 15.853 9.343 468 HG11 VAL 55 HG11 VAL 55 -12.904 17.199 8.655 469 HG12 VAL 55 HG12 VAL 55 -12.954 16.443 7.059 470 HG13 VAL 55 HG13 VAL 55 -12.606 15.466 8.486 471 HG21 VAL 55 HG21 VAL 55 -15.224 18.118 8.453 472 HG22 VAL 55 HG22 VAL 55 -16.582 17.052 8.090 473 HG23 VAL 55 HG23 VAL 55 -15.415 17.452 6.827 474 H GLY 56 H GLY 56 -13.238 14.330 5.888 475 HA2 GLY 56 HA2 GLY 56 -14.689 14.135 3.456 476 HA3 GLY 56 HA3 GLY 56 -14.080 15.777 3.646 477 H GLU 57 H GLU 57 -12.952 15.184 1.636 478 HA GLU 57 HA GLU 57 -10.192 14.744 2.341 479 HB2 GLU 57 HB2 GLU 57 -9.635 13.111 0.625 480 HB3 GLU 57 HB3 GLU 57 -10.826 12.428 1.722 481 HG2 GLU 57 HG2 GLU 57 -12.581 12.718 0.057 482 HG3 GLU 57 HG3 GLU 57 -11.454 13.549 -1.018 483 H ALA 58 H ALA 58 -8.872 15.039 0.134 484 HA ALA 58 HA ALA 58 -10.036 16.877 -1.767 485 HB1 ALA 58 HB1 ALA 58 -8.519 18.771 -1.220 486 HB2 ALA 58 HB2 ALA 58 -7.967 17.897 0.214 487 HB3 ALA 58 HB3 ALA 58 -9.644 18.427 0.098 488 H ARG 59 H ARG 59 -7.842 17.954 -2.905 489 HA ARG 59 HA ARG 59 -6.045 15.689 -3.494 490 HB2 ARG 59 HB2 ARG 59 -7.374 17.574 -5.480 491 HB3 ARG 59 HB3 ARG 59 -6.064 16.466 -5.898 492 HG2 ARG 59 HG2 ARG 59 -8.788 15.659 -4.815 493 HG3 ARG 59 HG3 ARG 59 -8.277 15.549 -6.506 494 HD2 ARG 59 HD2 ARG 59 -6.560 13.899 -5.887 495 HD3 ARG 59 HD3 ARG 59 -6.990 14.056 -4.181 496 HE ARG 59 HE ARG 59 -8.502 12.686 -6.284 497 HH11 ARG 59 HH11 ARG 59 -8.447 13.676 -2.899 498 HH12 ARG 59 HH12 ARG 59 -9.685 12.553 -2.444 499 HH21 ARG 59 HH21 ARG 59 -10.087 11.208 -5.635 500 HH22 ARG 59 HH22 ARG 59 -10.594 11.154 -3.975 501 H ILE 60 H ILE 60 -4.072 16.135 -3.097 502 HA ILE 60 HA ILE 60 -3.024 18.670 -2.416 503 HB ILE 60 HB ILE 60 -1.842 15.910 -2.792 504 HG12 ILE 60 HG12 ILE 60 -1.895 17.634 -0.288 505 HG13 ILE 60 HG13 ILE 60 -3.245 16.604 -0.723 506 HG21 ILE 60 HG21 ILE 60 -0.042 17.369 -3.541 507 HG22 ILE 60 HG22 ILE 60 0.348 16.711 -1.955 508 HG23 ILE 60 HG23 ILE 60 -0.215 18.375 -2.099 509 HD11 ILE 60 HD11 ILE 60 -1.815 14.639 -0.552 510 HD12 ILE 60 HD12 ILE 60 -1.788 15.581 0.938 511 HD13 ILE 60 HD13 ILE 60 -0.424 15.665 -0.177 512 H LYS 61 H LYS 61 -1.822 20.022 -3.476 513 HA LYS 61 HA LYS 61 -1.041 19.693 -6.281 514 HB2 LYS 61 HB2 LYS 61 -2.664 21.983 -5.079 515 HB3 LYS 61 HB3 LYS 61 -1.929 22.048 -6.674 516 HG2 LYS 61 HG2 LYS 61 -4.040 20.046 -5.824 517 HG3 LYS 61 HG3 LYS 61 -4.367 21.550 -6.691 518 HD2 LYS 61 HD2 LYS 61 -2.629 19.268 -7.739 519 HD3 LYS 61 HD3 LYS 61 -4.315 19.553 -8.181 520 HE2 LYS 61 HE2 LYS 61 -3.672 21.770 -9.119 521 HE3 LYS 61 HE3 LYS 61 -1.982 21.422 -8.737 522 HZ1 LYS 61 HZ1 LYS 61 -3.721 19.905 -10.600 523 HZ2 LYS 61 HZ2 LYS 61 -2.136 19.480 -10.202 524 HZ3 LYS 61 HZ3 LYS 61 -2.438 20.924 -11.026 525 H ARG 62 H ARG 62 0.017 22.192 -6.678 526 HA ARG 62 HA ARG 62 2.602 21.616 -6.067 527 HB2 ARG 62 HB2 ARG 62 3.199 23.820 -6.927 528 HB3 ARG 62 HB3 ARG 62 1.891 23.119 -7.872 529 HG2 ARG 62 HG2 ARG 62 0.267 24.565 -6.612 530 HG3 ARG 62 HG3 ARG 62 1.639 25.331 -5.797 531 HD2 ARG 62 HD2 ARG 62 2.526 25.906 -8.135 532 HD3 ARG 62 HD3 ARG 62 0.957 25.394 -8.760 533 HE ARG 62 HE ARG 62 1.570 27.792 -7.228 534 HH11 ARG 62 HH11 ARG 62 -1.048 25.776 -8.443 535 HH12 ARG 62 HH12 ARG 62 -2.183 27.082 -8.471 536 HH21 ARG 62 HH21 ARG 62 0.073 29.467 -7.262 537 HH22 ARG 62 HH22 ARG 62 -1.548 29.175 -7.811 538 H VAL 63 H VAL 63 3.921 21.744 -4.384 539 HA VAL 63 HA VAL 63 3.029 23.071 -1.933 540 HB VAL 63 HB VAL 63 4.719 21.714 -0.739 541 HG11 VAL 63 HG11 VAL 63 2.971 20.046 -2.597 542 HG12 VAL 63 HG12 VAL 63 2.467 20.775 -1.070 543 HG13 VAL 63 HG13 VAL 63 3.677 19.493 -1.073 544 HG21 VAL 63 HG21 VAL 63 6.007 19.921 -1.904 545 HG22 VAL 63 HG22 VAL 63 6.486 21.525 -2.454 546 HG23 VAL 63 HG23 VAL 63 5.437 20.529 -3.464 547 H VAL 64 H VAL 64 3.759 25.032 -1.442 548 HA VAL 64 HA VAL 64 6.116 26.193 -2.723 549 HB VAL 64 HB VAL 64 3.992 27.386 -0.884 550 HG11 VAL 64 HG11 VAL 64 6.264 28.837 -2.290 551 HG12 VAL 64 HG12 VAL 64 6.083 28.628 -0.545 552 HG13 VAL 64 HG13 VAL 64 4.926 29.616 -1.441 553 HG21 VAL 64 HG21 VAL 64 4.433 27.739 -3.873 554 HG22 VAL 64 HG22 VAL 64 3.191 28.546 -2.913 555 HG23 VAL 64 HG23 VAL 64 3.139 26.794 -3.122 556 H LEU 65 H LEU 65 8.011 25.777 -1.801 557 HA LEU 65 HA LEU 65 8.224 25.113 1.054 558 HB2 LEU 65 HB2 LEU 65 10.347 24.887 -1.121 559 HB3 LEU 65 HB3 LEU 65 10.401 24.180 0.491 560 HG LEU 65 HG LEU 65 8.505 23.363 -1.761 561 HD11 LEU 65 HD11 LEU 65 9.751 21.252 -1.797 562 HD12 LEU 65 HD12 LEU 65 10.870 21.871 -0.579 563 HD13 LEU 65 HD13 LEU 65 10.792 22.623 -2.175 564 HD21 LEU 65 HD21 LEU 65 7.392 23.100 0.396 565 HD22 LEU 65 HD22 LEU 65 8.766 22.191 1.034 566 HD23 LEU 65 HD23 LEU 65 7.793 21.523 -0.281 567 H SER 66 H SER 66 8.767 26.699 2.396 568 HA SER 66 HA SER 66 10.920 28.570 1.810 569 HB2 SER 66 HB2 SER 66 8.946 29.819 0.987 570 HB3 SER 66 HB3 SER 66 8.113 29.572 2.525 571 HG SER 66 HG SER 66 10.092 31.357 1.843 572 H GLU 67 H GLU 67 12.062 28.963 3.622 573 HA GLU 67 HA GLU 67 11.479 27.676 6.090 574 HB2 GLU 67 HB2 GLU 67 13.579 29.720 5.328 575 HB3 GLU 67 HB3 GLU 67 13.536 28.905 6.887 576 HG2 GLU 67 HG2 GLU 67 13.834 26.742 5.756 577 HG3 GLU 67 HG3 GLU 67 13.865 27.548 4.198 578 H ASN 68 H ASN 68 10.559 30.743 4.796 579 HA ASN 68 HA ASN 68 9.830 31.843 7.432 580 HB2 ASN 68 HB2 ASN 68 9.381 33.095 4.689 581 HB3 ASN 68 HB3 ASN 68 9.191 33.885 6.244 582 HD21 ASN 68 HD21 ASN 68 10.927 34.570 3.948 583 HD22 ASN 68 HD22 ASN 68 12.530 34.652 4.582 584 HA PRO 69 HA PRO 69 5.709 29.986 6.738 585 HB2 PRO 69 HB2 PRO 69 4.595 30.902 9.104 586 HB3 PRO 69 HB3 PRO 69 5.575 29.440 8.974 587 HG2 PRO 69 HG2 PRO 69 6.394 32.191 9.875 588 HG3 PRO 69 HG3 PRO 69 6.816 30.612 10.570 589 HD2 PRO 69 HD2 PRO 69 8.532 31.972 8.975 590 HD3 PRO 69 HD3 PRO 69 8.453 30.193 8.962 591 H MET 70 H MET 70 6.634 33.316 7.157 592 HA MET 70 HA MET 70 3.988 34.474 7.023 593 HB2 MET 70 HB2 MET 70 6.734 35.762 6.780 594 HB3 MET 70 HB3 MET 70 5.220 36.662 6.760 595 HG2 MET 70 HG2 MET 70 6.113 36.834 8.959 596 HG3 MET 70 HG3 MET 70 4.735 35.741 9.052 597 HE1 MET 70 HE1 MET 70 8.662 36.070 9.194 598 HE2 MET 70 HE2 MET 70 8.455 35.018 7.790 599 HE3 MET 70 HE3 MET 70 9.155 34.378 9.276 600 H GLN 71 H GLN 71 6.373 33.436 4.735 601 HA GLN 71 HA GLN 71 5.721 34.904 2.452 602 HB2 GLN 71 HB2 GLN 71 6.786 32.082 2.791 603 HB3 GLN 71 HB3 GLN 71 6.500 32.754 1.190 604 HG2 GLN 71 HG2 GLN 71 8.357 33.942 3.267 605 HG3 GLN 71 HG3 GLN 71 8.859 32.946 1.903 606 HE21 GLN 71 HE21 GLN 71 9.526 35.741 2.611 607 HE22 GLN 71 HE22 GLN 71 9.109 36.682 1.224 608 H PHE 72 H PHE 72 4.053 32.227 3.943 609 HA PHE 72 HA PHE 72 2.408 31.600 1.651 610 HB2 PHE 72 HB2 PHE 72 1.963 30.708 4.526 611 HB3 PHE 72 HB3 PHE 72 1.428 29.901 3.052 612 HD1 PHE 72 HD1 PHE 72 3.900 29.896 1.397 613 HD2 PHE 72 HD2 PHE 72 3.393 29.179 5.583 614 HE1 PHE 72 HE1 PHE 72 5.945 28.534 1.420 615 HE2 PHE 72 HE2 PHE 72 5.423 27.819 5.581 616 HZ PHE 72 HZ PHE 72 6.714 27.493 3.511 617 H PHE 73 H PHE 73 2.161 33.724 4.432 618 HA PHE 73 HA PHE 73 -0.734 34.082 4.199 619 HB2 PHE 73 HB2 PHE 73 1.287 35.467 6.018 620 HB3 PHE 73 HB3 PHE 73 -0.466 35.620 6.136 621 HD1 PHE 73 HD1 PHE 73 -1.798 33.353 6.422 622 HD2 PHE 73 HD2 PHE 73 2.354 33.805 7.322 623 HE1 PHE 73 HE1 PHE 73 -1.875 31.356 7.848 624 HE2 PHE 73 HE2 PHE 73 2.255 31.795 8.732 625 HZ PHE 73 HZ PHE 73 0.144 30.575 9.000 626 H GLU 74 H GLU 74 2.187 35.658 3.093 627 HA GLU 74 HA GLU 74 0.750 38.055 2.192 628 HB2 GLU 74 HB2 GLU 74 2.941 38.851 1.411 629 HB3 GLU 74 HB3 GLU 74 3.038 38.300 3.082 630 HG2 GLU 74 HG2 GLU 74 3.961 36.130 2.257 631 HG3 GLU 74 HG3 GLU 74 3.984 36.799 0.621 632 H THR 75 H THR 75 1.896 34.996 0.882 633 HA THR 75 HA THR 75 1.440 35.740 -1.879 634 HB THR 75 HB THR 75 1.972 33.000 -0.644 635 HG1 THR 75 HG1 THR 75 3.625 34.795 -0.661 636 HG21 THR 75 HG21 THR 75 2.537 32.252 -2.939 637 HG22 THR 75 HG22 THR 75 2.013 33.811 -3.578 638 HG23 THR 75 HG23 THR 75 0.840 32.725 -2.828 639 H PHE 76 H PHE 76 -0.046 33.397 0.382 640 HA PHE 76 HA PHE 76 -2.491 33.228 -1.250 641 HB2 PHE 76 HB2 PHE 76 -1.637 31.551 1.154 642 HB3 PHE 76 HB3 PHE 76 -3.009 31.233 0.107 643 HD1 PHE 76 HD1 PHE 76 -2.498 30.786 -2.412 644 HD2 PHE 76 HD2 PHE 76 0.447 30.540 0.683 645 HE1 PHE 76 HE1 PHE 76 -1.094 29.371 -3.852 646 HE2 PHE 76 HE2 PHE 76 1.846 29.129 -0.764 647 HZ PHE 76 HZ PHE 76 1.077 28.542 -3.033 648 H GLY 77 H GLY 77 -1.819 33.235 2.286 649 HA2 GLY 77 HA2 GLY 77 -2.717 34.435 4.026 650 HA3 GLY 77 HA3 GLY 77 -3.422 35.547 2.866 651 H ASP 78 H ASP 78 -5.395 34.873 1.785 652 HA ASP 78 HA ASP 78 -7.384 34.009 3.636 653 HB2 ASP 78 HB2 ASP 78 -8.988 34.451 1.869 654 HB3 ASP 78 HB3 ASP 78 -7.771 35.722 1.827 655 H ARG 79 H ARG 79 -5.492 32.367 1.253 656 HA ARG 79 HA ARG 79 -7.256 30.089 0.940 657 HB2 ARG 79 HB2 ARG 79 -4.357 30.429 0.071 658 HB3 ARG 79 HB3 ARG 79 -5.450 29.148 -0.448 659 HG2 ARG 79 HG2 ARG 79 -5.789 32.110 -1.026 660 HG3 ARG 79 HG3 ARG 79 -5.190 30.898 -2.163 661 HD2 ARG 79 HD2 ARG 79 -7.348 29.749 -2.136 662 HD3 ARG 79 HD3 ARG 79 -7.952 30.848 -0.894 663 HE ARG 79 HE ARG 79 -8.064 32.589 -2.466 664 HH11 ARG 79 HH11 ARG 79 -7.023 29.576 -4.000 665 HH12 ARG 79 HH12 ARG 79 -7.486 30.099 -5.590 666 HH21 ARG 79 HH21 ARG 79 -8.647 33.248 -4.537 667 HH22 ARG 79 HH22 ARG 79 -8.411 32.186 -5.894 668 H VAL 80 H VAL 80 -4.477 30.933 2.958 669 HA VAL 80 HA VAL 80 -3.789 28.264 3.758 670 HB VAL 80 HB VAL 80 -3.198 30.822 5.326 671 HG11 VAL 80 HG11 VAL 80 -1.706 28.167 5.242 672 HG12 VAL 80 HG12 VAL 80 -2.721 28.741 6.569 673 HG13 VAL 80 HG13 VAL 80 -1.228 29.594 6.170 674 HG21 VAL 80 HG21 VAL 80 -1.063 30.976 4.078 675 HG22 VAL 80 HG22 VAL 80 -2.457 31.154 3.008 676 HG23 VAL 80 HG23 VAL 80 -1.568 29.629 3.052 677 H PHE 81 H PHE 81 -4.316 27.157 5.737 678 HA PHE 81 HA PHE 81 -7.001 27.444 6.515 679 HB2 PHE 81 HB2 PHE 81 -6.693 25.572 8.009 680 HB3 PHE 81 HB3 PHE 81 -5.863 25.271 6.498 681 HD1 PHE 81 HD1 PHE 81 -5.384 25.937 10.104 682 HD2 PHE 81 HD2 PHE 81 -3.469 24.925 6.428 683 HE1 PHE 81 HE1 PHE 81 -3.388 25.231 11.343 684 HE2 PHE 81 HE2 PHE 81 -1.479 24.207 7.677 685 HZ PHE 81 HZ PHE 81 -1.431 24.360 10.126 686 H LEU 82 H LEU 82 -4.145 28.804 7.941 687 HA LEU 82 HA LEU 82 -5.843 30.071 10.021 688 HB2 LEU 82 HB2 LEU 82 -4.095 30.042 11.622 689 HB3 LEU 82 HB3 LEU 82 -4.187 28.416 10.983 690 HG LEU 82 HG LEU 82 -2.057 30.451 10.179 691 HD11 LEU 82 HD11 LEU 82 -1.829 28.163 12.158 692 HD12 LEU 82 HD12 LEU 82 -1.812 29.886 12.543 693 HD13 LEU 82 HD13 LEU 82 -0.501 29.185 11.596 694 HD21 LEU 82 HD21 LEU 82 -2.426 28.755 8.456 695 HD22 LEU 82 HD22 LEU 82 -2.202 27.468 9.642 696 HD23 LEU 82 HD23 LEU 82 -0.859 28.536 9.227 697 H THR 83 H THR 83 -4.676 32.152 10.861 698 HA THR 83 HA THR 83 -3.597 33.684 8.566 699 HB THR 83 HB THR 83 -5.717 34.610 9.489 700 HG1 THR 83 HG1 THR 83 -4.267 36.066 8.602 701 HG21 THR 83 HG21 THR 83 -5.501 33.948 11.843 702 HG22 THR 83 HG22 THR 83 -5.757 35.688 11.704 703 HG23 THR 83 HG23 THR 83 -4.144 35.056 12.043 704 H LYS 84 H LYS 84 -2.084 35.548 9.419 705 HA LYS 84 HA LYS 84 0.226 34.287 10.497 706 HB2 LYS 84 HB2 LYS 84 0.212 36.171 8.823 707 HB3 LYS 84 HB3 LYS 84 -0.270 37.260 10.120 708 HG2 LYS 84 HG2 LYS 84 1.869 36.703 11.310 709 HG3 LYS 84 HG3 LYS 84 2.347 35.731 9.916 710 HD2 LYS 84 HD2 LYS 84 1.785 38.725 9.921 711 HD3 LYS 84 HD3 LYS 84 3.379 37.972 9.829 712 HE2 LYS 84 HE2 LYS 84 2.902 37.081 7.627 713 HE3 LYS 84 HE3 LYS 84 1.209 37.572 7.734 714 HZ1 LYS 84 HZ1 LYS 84 3.520 39.419 7.697 715 HZ2 LYS 84 HZ2 LYS 84 1.893 39.868 7.747 716 HZ3 LYS 84 HZ3 LYS 84 2.520 39.086 6.386 717 H ASP 85 H ASP 85 -2.324 36.201 11.892 718 HA ASP 85 HA ASP 85 -1.140 36.786 14.420 719 HB2 ASP 85 HB2 ASP 85 -3.146 37.930 13.462 720 HB3 ASP 85 HB3 ASP 85 -4.077 36.483 13.748 721 H GLU 86 H GLU 86 -3.161 34.102 13.219 722 HA GLU 86 HA GLU 86 -3.199 32.628 15.653 723 HB2 GLU 86 HB2 GLU 86 -3.552 31.677 12.785 724 HB3 GLU 86 HB3 GLU 86 -3.818 30.663 14.205 725 HG2 GLU 86 HG2 GLU 86 -5.363 33.164 13.461 726 HG3 GLU 86 HG3 GLU 86 -5.934 31.506 13.325 727 H LEU 87 H LEU 87 -0.958 32.771 12.933 728 HA LEU 87 HA LEU 87 0.755 30.619 13.529 729 HB2 LEU 87 HB2 LEU 87 0.926 31.729 11.382 730 HB3 LEU 87 HB3 LEU 87 1.234 33.278 12.143 731 HG LEU 87 HG LEU 87 3.446 32.302 13.000 732 HD11 LEU 87 HD11 LEU 87 2.843 30.109 11.001 733 HD12 LEU 87 HD12 LEU 87 2.948 29.933 12.756 734 HD13 LEU 87 HD13 LEU 87 4.381 30.372 11.831 735 HD21 LEU 87 HD21 LEU 87 3.332 33.895 11.115 736 HD22 LEU 87 HD22 LEU 87 3.183 32.544 9.990 737 HD23 LEU 87 HD23 LEU 87 4.650 32.738 10.944 738 H LYS 88 H LYS 88 1.030 34.093 14.470 739 HA LYS 88 HA LYS 88 3.540 33.809 15.702 740 HB2 LYS 88 HB2 LYS 88 3.101 36.100 16.752 741 HB3 LYS 88 HB3 LYS 88 3.084 36.006 15.005 742 HG2 LYS 88 HG2 LYS 88 1.309 37.435 15.501 743 HG3 LYS 88 HG3 LYS 88 0.542 35.892 15.184 744 HD2 LYS 88 HD2 LYS 88 -0.089 35.563 17.383 745 HD3 LYS 88 HD3 LYS 88 1.205 36.570 18.037 746 HE2 LYS 88 HE2 LYS 88 0.055 38.525 17.609 747 HE3 LYS 88 HE3 LYS 88 -0.996 37.804 16.399 748 HZ1 LYS 88 HZ1 LYS 88 -2.128 36.570 18.149 749 HZ2 LYS 88 HZ2 LYS 88 -2.206 38.237 18.438 750 HZ3 LYS 88 HZ3 LYS 88 -1.131 37.277 19.318 751 H GLU 89 H GLU 89 0.264 33.702 17.115 752 HA GLU 89 HA GLU 89 1.277 33.383 19.814 753 HB2 GLU 89 HB2 GLU 89 -1.074 33.011 20.463 754 HB3 GLU 89 HB3 GLU 89 -0.877 34.468 19.491 755 HG2 GLU 89 HG2 GLU 89 -1.718 33.255 17.508 756 HG3 GLU 89 HG3 GLU 89 -1.925 31.800 18.486 757 H TYR 90 H TYR 90 0.306 31.213 17.208 758 HA TYR 90 HA TYR 90 0.090 28.783 18.645 759 HB2 TYR 90 HB2 TYR 90 -0.699 28.928 16.349 760 HB3 TYR 90 HB3 TYR 90 0.902 29.346 15.762 761 HD1 TYR 90 HD1 TYR 90 -0.969 26.549 17.446 762 HD2 TYR 90 HD2 TYR 90 2.289 27.641 14.901 763 HE1 TYR 90 HE1 TYR 90 -0.527 24.174 16.991 764 HE2 TYR 90 HE2 TYR 90 2.741 25.262 14.451 765 HH TYR 90 HH TYR 90 0.567 22.765 15.325 766 H MET 91 H MET 91 2.886 30.364 17.117 767 HA MET 91 HA MET 91 4.812 28.357 17.764 768 HB2 MET 91 HB2 MET 91 5.153 31.298 17.062 769 HB3 MET 91 HB3 MET 91 6.495 30.175 17.232 770 HG2 MET 91 HG2 MET 91 5.550 28.815 15.373 771 HG3 MET 91 HG3 MET 91 4.278 30.021 15.170 772 HE1 MET 91 HE1 MET 91 6.377 33.156 13.987 773 HE2 MET 91 HE2 MET 91 5.989 32.777 15.665 774 HE3 MET 91 HE3 MET 91 4.771 32.557 14.407 775 H LYS 92 H LYS 92 3.709 31.323 19.392 776 HA LYS 92 HA LYS 92 5.493 31.167 21.620 777 HB2 LYS 92 HB2 LYS 92 2.773 32.516 21.432 778 HB3 LYS 92 HB3 LYS 92 3.912 32.728 22.755 779 HG2 LYS 92 HG2 LYS 92 4.237 33.650 19.886 780 HG3 LYS 92 HG3 LYS 92 3.999 34.652 21.308 781 HD2 LYS 92 HD2 LYS 92 6.275 34.928 21.176 782 HD3 LYS 92 HD3 LYS 92 6.323 33.384 22.025 783 HE2 LYS 92 HE2 LYS 92 6.539 32.229 19.811 784 HE3 LYS 92 HE3 LYS 92 6.594 33.807 19.021 785 HZ1 LYS 92 HZ1 LYS 92 8.802 32.984 19.331 786 HZ2 LYS 92 HZ2 LYS 92 8.542 32.721 20.981 787 HZ3 LYS 92 HZ3 LYS 92 8.585 34.300 20.370 788 H SER 93 H SER 93 2.442 29.610 20.873 789 HA SER 93 HA SER 93 1.861 28.626 23.502 790 HB2 SER 93 HB2 SER 93 0.852 27.733 20.768 791 HB3 SER 93 HB3 SER 93 0.247 27.096 22.301 792 HG SER 93 HG SER 93 0.273 29.866 21.792 793 H GLN 94 H GLN 94 3.654 27.408 20.709 794 HA GLN 94 HA GLN 94 4.021 24.748 21.593 795 HB2 GLN 94 HB2 GLN 94 5.610 26.459 19.638 796 HB3 GLN 94 HB3 GLN 94 5.975 24.759 19.930 797 HG2 GLN 94 HG2 GLN 94 3.353 25.843 18.855 798 HG3 GLN 94 HG3 GLN 94 4.619 25.076 17.899 799 HE21 GLN 94 HE21 GLN 94 1.770 24.337 18.402 800 HE22 GLN 94 HE22 GLN 94 1.821 22.701 18.946 801 H GLU 95 H GLU 95 5.915 27.709 22.168 802 HA GLU 95 HA GLU 95 8.035 26.235 23.533 803 HB2 GLU 95 HB2 GLU 95 9.107 28.470 23.786 804 HB3 GLU 95 HB3 GLU 95 8.701 28.079 22.120 805 HG2 GLU 95 HG2 GLU 95 6.640 29.508 22.360 806 HG3 GLU 95 HG3 GLU 95 7.229 30.004 23.950 807 H ARG 96 H ARG 96 5.055 27.755 24.509 808 HA ARG 96 HA ARG 96 5.965 27.989 27.312 809 HB2 ARG 96 HB2 ARG 96 3.920 29.164 27.806 810 HB3 ARG 96 HB3 ARG 96 4.578 29.837 26.319 811 HG2 ARG 96 HG2 ARG 96 2.949 28.539 25.006 812 HG3 ARG 96 HG3 ARG 96 2.301 27.844 26.491 813 HD2 ARG 96 HD2 ARG 96 0.855 29.647 25.708 814 HD3 ARG 96 HD3 ARG 96 1.609 30.102 27.236 815 HE ARG 96 HE ARG 96 3.291 31.302 25.672 816 HH11 ARG 96 HH11 ARG 96 -0.151 31.065 25.009 817 HH12 ARG 96 HH12 ARG 96 -0.210 32.596 24.201 818 HH21 ARG 96 HH21 ARG 96 3.176 33.296 24.609 819 HH22 ARG 96 HH22 ARG 96 1.656 33.857 23.989 820 H TRP 97 H TRP 97 4.158 25.797 25.286 821 HA TRP 97 HA TRP 97 3.132 24.344 27.665 822 HB2 TRP 97 HB2 TRP 97 2.129 24.226 24.791 823 HB3 TRP 97 HB3 TRP 97 1.497 23.264 26.123 824 HD1 TRP 97 HD1 TRP 97 0.433 26.065 24.225 825 HE1 TRP 97 HE1 TRP 97 -1.079 27.665 25.538 826 HE3 TRP 97 HE3 TRP 97 1.474 24.481 28.997 827 HZ2 TRP 97 HZ2 TRP 97 -1.744 28.215 28.216 828 HZ3 TRP 97 HZ3 TRP 97 0.349 25.605 30.878 829 HH2 TRP 97 HH2 TRP 97 -1.228 27.436 30.490 830 H GLY 98 H GLY 98 5.073 24.000 24.731 831 HA2 GLY 98 HA2 GLY 98 5.578 21.140 25.426 832 HA3 GLY 98 HA3 GLY 98 5.358 21.695 23.776 833 H ARG 99 H ARG 99 7.018 22.706 22.719 834 HA ARG 99 HA ARG 99 9.627 21.796 23.552 835 HB2 ARG 99 HB2 ARG 99 10.272 22.375 21.216 836 HB3 ARG 99 HB3 ARG 99 8.830 21.371 21.278 837 HG2 ARG 99 HG2 ARG 99 7.541 23.655 21.087 838 HG3 ARG 99 HG3 ARG 99 9.085 24.282 20.515 839 HD2 ARG 99 HD2 ARG 99 7.933 23.712 18.543 840 HD3 ARG 99 HD3 ARG 99 9.009 22.332 18.797 841 HE ARG 99 HE ARG 99 6.207 22.282 19.735 842 HH11 ARG 99 HH11 ARG 99 8.731 20.792 17.797 843 HH12 ARG 99 HH12 ARG 99 7.745 19.438 17.363 844 HH21 ARG 99 HH21 ARG 99 4.944 20.528 19.154 845 HH22 ARG 99 HH22 ARG 99 5.594 19.282 18.133 846 H ARG 100 H ARG 100 9.842 23.278 25.390 847 HA ARG 100 HA ARG 100 10.059 26.112 25.062 848 HB2 ARG 100 HB2 ARG 100 9.500 25.002 27.264 849 HB3 ARG 100 HB3 ARG 100 11.155 24.404 27.344 850 HG2 ARG 100 HG2 ARG 100 11.819 26.938 27.141 851 HG3 ARG 100 HG3 ARG 100 10.143 27.248 27.594 852 HD2 ARG 100 HD2 ARG 100 12.217 25.734 29.219 853 HD3 ARG 100 HD3 ARG 100 11.609 27.359 29.546 854 HE ARG 100 HE ARG 100 9.619 25.229 29.522 855 HH11 ARG 100 HH11 ARG 100 11.682 27.276 31.506 856 HH12 ARG 100 HH12 ARG 100 10.867 26.868 32.979 857 HH21 ARG 100 HH21 ARG 100 8.573 24.692 31.465 858 HH22 ARG 100 HH22 ARG 100 9.111 25.400 32.961 859 H ARG 101 H ARG 101 11.798 27.308 24.471 860 HA ARG 101 HA ARG 101 13.892 28.090 24.199 861 HB2 ARG 101 HB2 ARG 101 14.095 27.036 26.567 862 HB3 ARG 101 HB3 ARG 101 14.960 25.722 25.782 863 HG2 ARG 101 HG2 ARG 101 16.723 27.276 25.075 864 HG3 ARG 101 HG3 ARG 101 15.830 28.638 25.758 865 HD2 ARG 101 HD2 ARG 101 16.089 27.726 28.006 866 HD3 ARG 101 HD3 ARG 101 16.867 26.277 27.365 867 HE ARG 101 HE ARG 101 18.446 28.312 26.474 868 HH11 ARG 101 HH11 ARG 101 17.319 27.441 29.682 869 HH12 ARG 101 HH12 ARG 101 18.773 27.964 30.463 870 HH21 ARG 101 HH21 ARG 101 20.338 29.008 27.515 871 HH22 ARG 101 HH22 ARG 101 20.486 28.855 29.237 872 H GLU 102 H GLU 102 16.308 27.137 23.442 873 HA GLU 102 HA GLU 102 17.454 26.545 21.601 874 HB2 GLU 102 HB2 GLU 102 15.767 24.039 21.945 875 HB3 GLU 102 HB3 GLU 102 16.969 24.175 20.672 876 HG2 GLU 102 HG2 GLU 102 18.016 22.983 22.423 877 HG3 GLU 102 HG3 GLU 102 18.707 24.602 22.446 878 H SER 103 H SER 103 15.114 28.151 21.230 879 HA SER 103 HA SER 103 14.217 27.463 18.490 880 HB2 SER 103 HB2 SER 103 12.989 29.466 20.455 881 HB3 SER 103 HB3 SER 103 12.308 28.939 18.914 882 HG SER 103 HG SER 103 12.866 27.170 21.055 883 H LYS 104 H LYS 104 16.311 28.196 17.663 884 HA LYS 104 HA LYS 104 16.625 31.153 17.560 885 HB2 LYS 104 HB2 LYS 104 18.413 30.009 18.916 886 HB3 LYS 104 HB3 LYS 104 18.855 29.067 17.501 887 HG2 LYS 104 HG2 LYS 104 20.429 30.877 17.731 888 HG3 LYS 104 HG3 LYS 104 19.430 31.198 16.311 889 HD2 LYS 104 HD2 LYS 104 19.725 33.263 17.581 890 HD3 LYS 104 HD3 LYS 104 18.037 32.755 17.670 891 HE2 LYS 104 HE2 LYS 104 18.499 31.764 19.921 892 HE3 LYS 104 HE3 LYS 104 20.144 32.394 19.834 893 HZ1 LYS 104 HZ1 LYS 104 17.693 34.059 19.724 894 HZ2 LYS 104 HZ2 LYS 104 19.290 34.612 19.797 895 HZ3 LYS 104 HZ3 LYS 104 18.618 33.792 21.114 896 H LYS 105 H LYS 105 17.848 28.240 15.880 897 HA LYS 105 HA LYS 105 18.027 29.564 13.348 898 HB2 LYS 105 HB2 LYS 105 19.583 27.746 14.074 899 HB3 LYS 105 HB3 LYS 105 18.254 26.594 14.015 900 HG2 LYS 105 HG2 LYS 105 18.084 26.789 11.612 901 HG3 LYS 105 HG3 LYS 105 19.207 28.153 11.584 902 HD2 LYS 105 HD2 LYS 105 19.919 25.306 12.412 903 HD3 LYS 105 HD3 LYS 105 20.272 26.024 10.838 904 HE2 LYS 105 HE2 LYS 105 21.745 27.683 11.899 905 HE3 LYS 105 HE3 LYS 105 21.342 27.051 13.496 906 HZ1 LYS 105 HZ1 LYS 105 22.784 25.590 11.351 907 HZ2 LYS 105 HZ2 LYS 105 22.347 24.936 12.846 908 HZ3 LYS 105 HZ3 LYS 105 23.452 26.210 12.778 909 H LYS 106 H LYS 106 16.798 29.140 11.475 910 HA LYS 106 HA LYS 106 13.982 28.976 11.919 911 HB2 LYS 106 HB2 LYS 106 13.730 29.581 9.650 912 HB3 LYS 106 HB3 LYS 106 15.225 30.365 10.131 913 HG2 LYS 106 HG2 LYS 106 15.190 27.699 8.679 914 HG3 LYS 106 HG3 LYS 106 15.149 29.233 7.821 915 HD2 LYS 106 HD2 LYS 106 17.365 28.509 9.774 916 HD3 LYS 106 HD3 LYS 106 17.427 28.097 8.054 917 HE2 LYS 106 HE2 LYS 106 17.216 30.906 9.203 918 HE3 LYS 106 HE3 LYS 106 18.663 30.170 8.509 919 HZ1 LYS 106 HZ1 LYS 106 16.139 30.790 7.067 920 HZ2 LYS 106 HZ2 LYS 106 17.451 29.970 6.387 921 HZ3 LYS 106 HZ3 LYS 106 17.625 31.578 6.890 922 H LYS 107 H LYS 107 12.648 27.626 10.236 923 HA LYS 107 HA LYS 107 13.769 24.971 9.712 924 HB2 LYS 107 HB2 LYS 107 12.348 24.924 11.838 925 HB3 LYS 107 HB3 LYS 107 10.970 25.381 10.856 926 HG2 LYS 107 HG2 LYS 107 10.723 23.065 11.110 927 HG3 LYS 107 HG3 LYS 107 11.433 23.211 9.503 928 HD2 LYS 107 HD2 LYS 107 13.055 22.623 12.012 929 HD3 LYS 107 HD3 LYS 107 12.370 21.353 11.004 930 HE2 LYS 107 HE2 LYS 107 13.751 22.164 9.098 931 HE3 LYS 107 HE3 LYS 107 14.442 23.402 10.140 932 HZ1 LYS 107 HZ1 LYS 107 15.888 21.497 9.921 933 HZ2 LYS 107 HZ2 LYS 107 14.694 20.486 10.559 934 HZ3 LYS 107 HZ3 LYS 107 15.383 21.690 11.523 935 H LEU 108 H LEU 108 12.938 23.989 7.865 936 HA LEU 108 HA LEU 108 11.877 25.717 5.835 937 HB2 LEU 108 HB2 LEU 108 13.526 23.755 5.512 938 HB3 LEU 108 HB3 LEU 108 12.162 22.684 5.690 939 HG LEU 108 HG LEU 108 12.886 23.009 3.321 940 HD11 LEU 108 HD11 LEU 108 10.579 22.335 3.761 941 HD12 LEU 108 HD12 LEU 108 10.727 23.296 2.292 942 HD13 LEU 108 HD13 LEU 108 10.085 24.031 3.765 943 HD21 LEU 108 HD21 LEU 108 13.625 25.324 3.429 944 HD22 LEU 108 HD22 LEU 108 11.959 25.873 3.644 945 HD23 LEU 108 HD23 LEU 108 12.450 25.099 2.133 946 H TRP 109 H TRP 109 9.817 26.373 6.209 947 HA TRP 109 HA TRP 109 7.687 24.501 6.859 948 HB2 TRP 109 HB2 TRP 109 7.657 27.468 6.167 949 HB3 TRP 109 HB3 TRP 109 6.207 26.539 6.511 950 HD1 TRP 109 HD1 TRP 109 9.555 27.272 8.334 951 HE1 TRP 109 HE1 TRP 109 9.044 27.665 10.808 952 HE3 TRP 109 HE3 TRP 109 4.503 26.507 8.245 953 HZ2 TRP 109 HZ2 TRP 109 6.808 27.691 12.518 954 HZ3 TRP 109 HZ3 TRP 109 3.240 26.751 10.348 955 HH2 TRP 109 HH2 TRP 109 4.373 27.337 12.445 956 H MET 110 H MET 110 5.860 24.240 5.416 957 HA MET 110 HA MET 110 6.407 24.453 2.542 958 HB2 MET 110 HB2 MET 110 5.688 21.963 2.369 959 HB3 MET 110 HB3 MET 110 7.319 22.302 2.922 960 HG2 MET 110 HG2 MET 110 6.762 21.794 5.189 961 HG3 MET 110 HG3 MET 110 5.038 21.743 4.828 962 HE1 MET 110 HE1 MET 110 4.657 18.487 2.783 963 HE2 MET 110 HE2 MET 110 4.772 20.155 2.221 964 HE3 MET 110 HE3 MET 110 3.822 19.771 3.664 965 H ALA 111 H ALA 111 4.618 24.881 1.416 966 HA ALA 111 HA ALA 111 2.019 24.945 2.825 967 HB1 ALA 111 HB1 ALA 111 1.465 26.823 1.319 968 HB2 ALA 111 HB2 ALA 111 3.067 26.716 0.587 969 HB3 ALA 111 HB3 ALA 111 2.898 27.160 2.286 970 H ILE 112 H ILE 112 1.036 23.113 2.214 971 HA ILE 112 HA ILE 112 1.200 22.006 -0.462 972 HB ILE 112 HB ILE 112 -0.675 21.141 1.794 973 HG12 ILE 112 HG12 ILE 112 2.134 20.060 1.277 974 HG13 ILE 112 HG13 ILE 112 1.711 21.156 2.589 975 HG21 ILE 112 HG21 ILE 112 0.411 19.581 -0.581 976 HG22 ILE 112 HG22 ILE 112 -1.223 20.236 -0.436 977 HG23 ILE 112 HG23 ILE 112 -0.686 18.960 0.657 978 HD11 ILE 112 HD11 ILE 112 0.645 18.353 2.221 979 HD12 ILE 112 HD12 ILE 112 0.226 19.456 3.537 980 HD13 ILE 112 HD13 ILE 112 1.879 18.868 3.369 981 H GLU 113 H GLU 113 -0.166 22.672 -2.108 982 HA GLU 113 HA GLU 113 -2.474 24.342 -1.464 983 HB2 GLU 113 HB2 GLU 113 -1.107 24.926 -3.432 984 HB3 GLU 113 HB3 GLU 113 -1.433 23.355 -4.157 985 HG2 GLU 113 HG2 GLU 113 -3.810 23.921 -4.383 986 HG3 GLU 113 HG3 GLU 113 -3.537 25.464 -3.570 987 H LEU 114 H LEU 114 -4.545 23.646 -1.395 988 HA LEU 114 HA LEU 114 -5.160 20.814 -1.968 989 HB2 LEU 114 HB2 LEU 114 -5.846 22.538 0.417 990 HB3 LEU 114 HB3 LEU 114 -7.040 21.365 -0.095 991 HG LEU 114 HG LEU 114 -5.760 20.395 1.689 992 HD11 LEU 114 HD11 LEU 114 -6.429 18.872 -0.053 993 HD12 LEU 114 HD12 LEU 114 -4.884 18.379 0.618 994 HD13 LEU 114 HD13 LEU 114 -4.941 19.173 -0.956 995 HD21 LEU 114 HD21 LEU 114 -3.254 20.959 0.084 996 HD22 LEU 114 HD22 LEU 114 -3.327 20.005 1.568 997 HD23 LEU 114 HD23 LEU 114 -3.728 21.727 1.603 998 H GLU 115 H GLU 115 -6.378 20.759 -3.764 999 HA GLU 115 HA GLU 115 -8.671 22.641 -4.038 1000 HB2 GLU 115 HB2 GLU 115 -8.600 22.316 -6.428 1001 HB3 GLU 115 HB3 GLU 115 -6.948 22.683 -5.925 1002 HG2 GLU 115 HG2 GLU 115 -6.240 20.431 -6.208 1003 HG3 GLU 115 HG3 GLU 115 -7.892 19.829 -6.286 1004 H ASP 116 H ASP 116 -10.508 21.537 -5.310 1005 HA ASP 116 HA ASP 116 -12.149 19.977 -5.513 1006 HB2 ASP 116 HB2 ASP 116 -10.402 19.023 -7.021 1007 HB3 ASP 116 HB3 ASP 116 -9.735 18.106 -5.678 1008 H VAL 117 H VAL 117 -11.945 20.750 -2.953 1009 HA VAL 117 HA VAL 117 -11.469 18.568 -1.149 1010 HB VAL 117 HB VAL 117 -12.855 21.200 -0.503 1011 HG11 VAL 117 HG11 VAL 117 -11.511 19.141 1.294 1012 HG12 VAL 117 HG12 VAL 117 -13.248 19.430 1.171 1013 HG13 VAL 117 HG13 VAL 117 -12.191 20.683 1.830 1014 HG21 VAL 117 HG21 VAL 117 -10.657 21.998 0.294 1015 HG22 VAL 117 HG22 VAL 117 -10.594 21.625 -1.431 1016 HG23 VAL 117 HG23 VAL 117 -9.897 20.503 -0.260 1017 H LYS 118 H LYS 118 -12.755 16.915 -1.256 1018 HA LYS 118 HA LYS 118 -15.602 16.993 -1.698 1019 HB2 LYS 118 HB2 LYS 118 -14.024 15.202 -2.582 1020 HB3 LYS 118 HB3 LYS 118 -13.816 14.645 -0.936 1021 HG2 LYS 118 HG2 LYS 118 -15.396 13.144 -1.695 1022 HG3 LYS 118 HG3 LYS 118 -16.445 14.364 -0.976 1023 HD2 LYS 118 HD2 LYS 118 -15.786 14.132 -3.945 1024 HD3 LYS 118 HD3 LYS 118 -17.261 13.538 -3.187 1025 HE2 LYS 118 HE2 LYS 118 -17.921 15.829 -2.633 1026 HE3 LYS 118 HE3 LYS 118 -16.411 16.450 -3.301 1027 HZ1 LYS 118 HZ1 LYS 118 -18.547 15.055 -4.812 1028 HZ2 LYS 118 HZ2 LYS 118 -17.081 15.599 -5.460 1029 HZ3 LYS 118 HZ3 LYS 118 -18.200 16.709 -4.854 1030 H LYS 119 H LYS 119 -17.150 16.147 -0.209 1031 HA LYS 119 HA LYS 119 -16.398 16.183 2.656 1032 HB2 LYS 119 HB2 LYS 119 -18.653 17.490 1.187 1033 HB3 LYS 119 HB3 LYS 119 -19.151 16.655 2.648 1034 HG2 LYS 119 HG2 LYS 119 -16.966 18.766 2.554 1035 HG3 LYS 119 HG3 LYS 119 -18.644 19.102 2.976 1036 HD2 LYS 119 HD2 LYS 119 -16.679 17.326 4.491 1037 HD3 LYS 119 HD3 LYS 119 -17.338 18.875 5.021 1038 HE2 LYS 119 HE2 LYS 119 -19.620 17.803 5.069 1039 HE3 LYS 119 HE3 LYS 119 -18.853 16.265 4.691 1040 HZ1 LYS 119 HZ1 LYS 119 -18.292 17.895 7.093 1041 HZ2 LYS 119 HZ2 LYS 119 -17.613 16.389 6.722 1042 HZ3 LYS 119 HZ3 LYS 119 -19.266 16.514 7.050 1043 H TYR 120 H TYR 120 -16.544 14.244 3.595 1044 HA TYR 120 HA TYR 120 -17.909 11.991 2.438 1045 HB2 TYR 120 HB2 TYR 120 -16.385 12.423 5.019 1046 HB3 TYR 120 HB3 TYR 120 -17.387 10.989 4.831 1047 HD1 TYR 120 HD1 TYR 120 -15.215 12.642 2.234 1048 HD2 TYR 120 HD2 TYR 120 -15.808 9.237 4.747 1049 HE1 TYR 120 HE1 TYR 120 -13.345 11.494 1.137 1050 HE2 TYR 120 HE2 TYR 120 -13.939 8.099 3.641 1051 HH TYR 120 HH TYR 120 -11.747 9.725 1.590 1052 H ASP 121 H ASP 121 -20.053 12.472 2.255 1053 HA ASP 121 HA ASP 121 -21.859 13.269 4.276 1054 HB2 ASP 121 HB2 ASP 121 -22.529 13.240 1.924 1055 HB3 ASP 121 HB3 ASP 121 -22.190 11.518 1.794 1056 H LYS 122 H LYS 122 -20.390 10.228 3.437 1057 HA LYS 122 HA LYS 122 -21.926 8.638 5.336 1058 HB2 LYS 122 HB2 LYS 122 -20.684 6.742 4.301 1059 HB3 LYS 122 HB3 LYS 122 -21.539 7.722 3.114 1060 HG2 LYS 122 HG2 LYS 122 -19.318 8.908 2.670 1061 HG3 LYS 122 HG3 LYS 122 -18.558 7.666 3.667 1062 HD2 LYS 122 HD2 LYS 122 -18.320 7.020 1.357 1063 HD3 LYS 122 HD3 LYS 122 -19.483 5.927 2.115 1064 HE2 LYS 122 HE2 LYS 122 -21.340 7.210 1.115 1065 HE3 LYS 122 HE3 LYS 122 -20.185 8.325 0.381 1066 HZ1 LYS 122 HZ1 LYS 122 -19.306 6.520 -0.922 1067 HZ2 LYS 122 HZ2 LYS 122 -20.973 6.652 -1.171 1068 HZ3 LYS 122 HZ3 LYS 122 -20.360 5.423 -0.186 1069 HA PRO 123 HA PRO 123 -18.601 9.069 8.390 1070 HB2 PRO 123 HB2 PRO 123 -19.617 7.542 10.358 1071 HB3 PRO 123 HB3 PRO 123 -20.456 9.014 9.839 1072 HG2 PRO 123 HG2 PRO 123 -21.040 6.145 9.113 1073 HG3 PRO 123 HG3 PRO 123 -22.176 7.431 9.566 1074 HD2 PRO 123 HD2 PRO 123 -21.596 6.698 6.930 1075 HD3 PRO 123 HD3 PRO 123 -22.252 8.276 7.414 1076 H ILE 124 H ILE 124 -17.175 7.907 6.745 1077 HA ILE 124 HA ILE 124 -16.550 5.106 7.295 1078 HB ILE 124 HB ILE 124 -15.105 7.131 5.516 1079 HG12 ILE 124 HG12 ILE 124 -16.992 4.856 4.755 1080 HG13 ILE 124 HG13 ILE 124 -17.405 6.568 4.727 1081 HG21 ILE 124 HG21 ILE 124 -14.665 4.122 5.720 1082 HG22 ILE 124 HG22 ILE 124 -13.539 5.373 6.250 1083 HG23 ILE 124 HG23 ILE 124 -13.906 5.187 4.534 1084 HD11 ILE 124 HD11 ILE 124 -15.787 6.953 2.960 1085 HD12 ILE 124 HD12 ILE 124 -16.916 5.678 2.506 1086 HD13 ILE 124 HD13 ILE 124 -15.283 5.259 3.020 1087 H LYS 125 H LYS 125 -15.018 4.433 8.684 1088 HA LYS 125 HA LYS 125 -13.348 6.398 10.130 1089 HB2 LYS 125 HB2 LYS 125 -14.138 3.532 10.840 1090 HB3 LYS 125 HB3 LYS 125 -12.971 4.470 11.757 1091 HG2 LYS 125 HG2 LYS 125 -15.004 4.597 12.972 1092 HG3 LYS 125 HG3 LYS 125 -14.808 6.169 12.191 1093 HD2 LYS 125 HD2 LYS 125 -16.409 5.486 10.428 1094 HD3 LYS 125 HD3 LYS 125 -16.585 3.907 11.198 1095 HE2 LYS 125 HE2 LYS 125 -17.494 5.055 13.226 1096 HE3 LYS 125 HE3 LYS 125 -17.402 6.592 12.358 1097 HZ1 LYS 125 HZ1 LYS 125 -18.919 5.689 10.708 1098 HZ2 LYS 125 HZ2 LYS 125 -19.609 5.656 12.249 1099 HZ3 LYS 125 HZ3 LYS 125 -19.019 4.232 11.559 1100 HA PRO 126 HA PRO 126 -9.702 4.729 8.096 1101 HB2 PRO 126 HB2 PRO 126 -7.964 5.033 10.435 1102 HB3 PRO 126 HB3 PRO 126 -8.033 6.027 8.980 1103 HG2 PRO 126 HG2 PRO 126 -8.841 6.890 11.472 1104 HG3 PRO 126 HG3 PRO 126 -9.434 7.565 9.943 1105 HD2 PRO 126 HD2 PRO 126 -10.756 5.585 11.782 1106 HD3 PRO 126 HD3 PRO 126 -11.473 6.922 10.853 1107 H LYS 127 H LYS 127 -7.827 3.143 8.513 1108 HA LYS 127 HA LYS 127 -8.911 0.678 9.700 1109 HB2 LYS 127 HB2 LYS 127 -6.655 1.165 7.703 1110 HB3 LYS 127 HB3 LYS 127 -6.982 -0.413 8.407 1111 HG2 LYS 127 HG2 LYS 127 -7.995 -0.341 6.219 1112 HG3 LYS 127 HG3 LYS 127 -9.277 -0.353 7.432 1113 HD2 LYS 127 HD2 LYS 127 -9.434 2.174 7.142 1114 HD3 LYS 127 HD3 LYS 127 -8.311 2.022 5.788 1115 HE2 LYS 127 HE2 LYS 127 -11.040 0.698 5.986 1116 HE3 LYS 127 HE3 LYS 127 -10.664 2.136 5.037 1117 HZ1 LYS 127 HZ1 LYS 127 -9.159 0.826 3.692 1118 HZ2 LYS 127 HZ2 LYS 127 -10.704 0.137 3.679 1119 HZ3 LYS 127 HZ3 LYS 127 -9.475 -0.553 4.613 1120 H ARG 128 H ARG 128 -7.146 3.171 10.739 1121 HA ARG 128 HA ARG 128 -6.224 1.852 13.097 1122 HB2 ARG 128 HB2 ARG 128 -3.837 2.458 12.928 1123 HB3 ARG 128 HB3 ARG 128 -4.281 1.366 11.621 1124 HG2 ARG 128 HG2 ARG 128 -4.396 3.289 10.059 1125 HG3 ARG 128 HG3 ARG 128 -3.933 4.376 11.375 1126 HD2 ARG 128 HD2 ARG 128 -2.244 2.097 10.268 1127 HD3 ARG 128 HD3 ARG 128 -2.005 3.815 9.941 1128 HE ARG 128 HE ARG 128 -1.344 4.144 12.211 1129 HH11 ARG 128 HH11 ARG 128 -1.682 0.735 11.389 1130 HH12 ARG 128 HH12 ARG 128 -0.686 0.204 12.704 1131 HH21 ARG 128 HH21 ARG 128 -0.042 3.415 13.926 1132 HH22 ARG 128 HH22 ARG 128 0.232 1.714 14.142 1133 H LEU 129 H LEU 129 -4.871 3.663 14.407 1134 HA LEU 129 HA LEU 129 -6.638 5.952 14.579 1135 HB2 LEU 129 HB2 LEU 129 -5.548 4.575 16.530 1136 HB3 LEU 129 HB3 LEU 129 -4.115 5.530 16.224 1137 HG LEU 129 HG LEU 129 -5.553 6.320 18.140 1138 HD11 LEU 129 HD11 LEU 129 -5.424 8.693 17.677 1139 HD12 LEU 129 HD12 LEU 129 -5.208 8.369 15.954 1140 HD13 LEU 129 HD13 LEU 129 -3.976 7.861 17.111 1141 HD21 LEU 129 HD21 LEU 129 -7.737 5.811 17.135 1142 HD22 LEU 129 HD22 LEU 129 -7.506 7.116 15.966 1143 HD23 LEU 129 HD23 LEU 129 -7.645 7.486 17.689 1144 H VAL 130 H VAL 130 -6.262 7.885 13.711 1145 HA VAL 130 HA VAL 130 -3.634 8.524 12.526 1146 HB VAL 130 HB VAL 130 -6.292 9.927 11.977 1147 HG11 VAL 130 HG11 VAL 130 -3.614 10.114 10.529 1148 HG12 VAL 130 HG12 VAL 130 -4.350 11.364 11.538 1149 HG13 VAL 130 HG13 VAL 130 -5.110 10.905 10.013 1150 HG21 VAL 130 HG21 VAL 130 -4.924 7.807 10.266 1151 HG22 VAL 130 HG22 VAL 130 -6.365 8.722 9.815 1152 HG23 VAL 130 HG23 VAL 130 -6.427 7.597 11.172 1153 HA PRO 131 HA PRO 131 -3.625 11.094 16.379 1154 HB2 PRO 131 HB2 PRO 131 -0.929 11.276 16.649 1155 HB3 PRO 131 HB3 PRO 131 -1.803 9.791 17.057 1156 HG2 PRO 131 HG2 PRO 131 -0.332 10.474 14.498 1157 HG3 PRO 131 HG3 PRO 131 -0.202 9.008 15.499 1158 HD2 PRO 131 HD2 PRO 131 -1.763 9.072 13.285 1159 HD3 PRO 131 HD3 PRO 131 -2.235 8.135 14.725 1160 H VAL 132 H VAL 132 -2.158 13.138 16.886 1161 HA VAL 132 HA VAL 132 -2.941 15.229 15.167 1162 HB VAL 132 HB VAL 132 -0.859 15.247 17.409 1163 HG11 VAL 132 HG11 VAL 132 -1.207 17.711 17.535 1164 HG12 VAL 132 HG12 VAL 132 -2.226 17.634 16.095 1165 HG13 VAL 132 HG13 VAL 132 -0.516 17.224 15.984 1166 HG21 VAL 132 HG21 VAL 132 -3.103 14.539 18.171 1167 HG22 VAL 132 HG22 VAL 132 -3.815 15.997 17.476 1168 HG23 VAL 132 HG23 VAL 132 -2.692 16.125 18.832 1169 H GLY 133 H GLY 133 0.109 13.489 15.470 1170 HA2 GLY 133 HA2 GLY 133 1.710 15.010 13.688 1171 HA3 GLY 133 HA3 GLY 133 1.972 13.333 14.147 1172 H GLY 134 H GLY 134 -0.744 12.591 13.155 1173 HA2 GLY 134 HA2 GLY 134 -1.967 12.203 11.244 1174 HA3 GLY 134 HA3 GLY 134 -0.832 13.161 10.311 1175 H GLN 135 H GLN 135 -1.834 10.837 9.273 1176 HA GLN 135 HA GLN 135 0.434 8.911 9.353 1177 HB2 GLN 135 HB2 GLN 135 -2.489 8.346 8.642 1178 HB3 GLN 135 HB3 GLN 135 -1.188 7.160 8.607 1179 HG2 GLN 135 HG2 GLN 135 -2.183 8.584 11.088 1180 HG3 GLN 135 HG3 GLN 135 -2.668 6.964 10.580 1181 HE21 GLN 135 HE21 GLN 135 -0.089 8.916 11.889 1182 HE22 GLN 135 HE22 GLN 135 0.878 7.609 12.457 1183 H TYR 136 H TYR 136 1.355 8.382 7.391 1184 HA TYR 136 HA TYR 136 0.506 9.704 4.947 1185 HB2 TYR 136 HB2 TYR 136 2.875 8.099 5.775 1186 HB3 TYR 136 HB3 TYR 136 2.350 7.743 4.138 1187 HD1 TYR 136 HD1 TYR 136 1.600 10.148 2.878 1188 HD2 TYR 136 HD2 TYR 136 4.682 9.636 5.804 1189 HE1 TYR 136 HE1 TYR 136 2.749 12.140 2.018 1190 HE2 TYR 136 HE2 TYR 136 5.827 11.632 4.934 1191 HH TYR 136 HH TYR 136 5.949 12.945 2.904 1192 H LEU 137 H LEU 137 -1.230 8.989 3.902 1193 HA LEU 137 HA LEU 137 -2.245 6.294 4.250 1194 HB2 LEU 137 HB2 LEU 137 -3.509 8.687 3.875 1195 HB3 LEU 137 HB3 LEU 137 -3.468 8.136 2.215 1196 HG LEU 137 HG LEU 137 -4.836 6.773 4.568 1197 HD11 LEU 137 HD11 LEU 137 -5.993 8.008 2.057 1198 HD12 LEU 137 HD12 LEU 137 -6.050 8.687 3.684 1199 HD13 LEU 137 HD13 LEU 137 -6.909 7.191 3.329 1200 HD21 LEU 137 HD21 LEU 137 -4.634 5.718 1.723 1201 HD22 LEU 137 HD22 LEU 137 -5.668 5.056 2.989 1202 HD23 LEU 137 HD23 LEU 137 -3.918 4.995 3.164 1203 H ARG 138 H ARG 138 -1.617 4.655 2.993 1204 HA ARG 138 HA ARG 138 -0.873 5.148 0.184 1205 HB2 ARG 138 HB2 ARG 138 0.940 3.503 0.277 1206 HB3 ARG 138 HB3 ARG 138 1.255 4.860 1.337 1207 HG2 ARG 138 HG2 ARG 138 0.277 2.144 2.296 1208 HG3 ARG 138 HG3 ARG 138 1.975 2.615 2.202 1209 HD2 ARG 138 HD2 ARG 138 1.354 4.607 3.718 1210 HD3 ARG 138 HD3 ARG 138 -0.167 3.758 4.014 1211 HE ARG 138 HE ARG 138 1.607 1.851 4.616 1212 HH11 ARG 138 HH11 ARG 138 1.483 5.216 5.662 1213 HH12 ARG 138 HH12 ARG 138 2.358 4.920 7.126 1214 HH21 ARG 138 HH21 ARG 138 2.758 1.488 6.535 1215 HH22 ARG 138 HH22 ARG 138 3.090 2.805 7.610 1216 H GLU 139 H GLU 139 -1.485 3.582 -1.285 1217 HA GLU 139 HA GLU 139 -3.517 1.696 -0.345 1218 HB2 GLU 139 HB2 GLU 139 -3.783 3.082 -2.452 1219 HB3 GLU 139 HB3 GLU 139 -2.512 2.117 -3.183 1220 HG2 GLU 139 HG2 GLU 139 -4.622 1.268 -3.929 1221 HG3 GLU 139 HG3 GLU 139 -3.900 0.078 -2.849 Start of MODEL 9 1 H MET 1 H MET 1 -0.058 0.081 -0.785 2 HA MET 1 HA MET 1 2.414 -1.504 -1.152 3 HB2 MET 1 HB2 MET 1 0.699 -0.002 -3.168 4 HB3 MET 1 HB3 MET 1 2.235 -0.758 -3.511 5 HG2 MET 1 HG2 MET 1 -0.324 -2.148 -2.721 6 HG3 MET 1 HG3 MET 1 0.435 -2.163 -4.312 7 HE1 MET 1 HE1 MET 1 3.485 -2.653 -3.787 8 HE2 MET 1 HE2 MET 1 2.565 -3.625 -4.935 9 HE3 MET 1 HE3 MET 1 3.584 -4.411 -3.729 10 H SER 2 H SER 2 4.287 -0.289 -1.629 11 HA SER 2 HA SER 2 4.615 2.071 -0.105 12 HB2 SER 2 HB2 SER 2 6.515 0.852 -2.151 13 HB3 SER 2 HB3 SER 2 6.956 1.973 -0.862 14 HG SER 2 HG SER 2 7.361 -0.238 -0.336 15 H LYS 3 H LYS 3 3.426 1.769 -3.255 16 HA LYS 3 HA LYS 3 4.356 4.004 -4.632 17 HB2 LYS 3 HB2 LYS 3 2.242 3.860 -5.933 18 HB3 LYS 3 HB3 LYS 3 2.991 2.284 -5.704 19 HG2 LYS 3 HG2 LYS 3 1.392 1.731 -3.938 20 HG3 LYS 3 HG3 LYS 3 0.661 3.335 -4.050 21 HD2 LYS 3 HD2 LYS 3 0.712 1.302 -6.315 22 HD3 LYS 3 HD3 LYS 3 -0.635 1.508 -5.195 23 HE2 LYS 3 HE2 LYS 3 -0.894 3.864 -5.971 24 HE3 LYS 3 HE3 LYS 3 0.419 3.610 -7.126 25 HZ1 LYS 3 HZ1 LYS 3 -0.892 1.961 -8.244 26 HZ2 LYS 3 HZ2 LYS 3 -1.800 3.380 -8.105 27 HZ3 LYS 3 HZ3 LYS 3 -2.120 2.073 -7.085 28 H ILE 4 H ILE 4 2.226 3.904 -1.884 29 HA ILE 4 HA ILE 4 1.126 5.425 -0.636 30 HB ILE 4 HB ILE 4 2.638 7.572 -2.212 31 HG12 ILE 4 HG12 ILE 4 4.183 5.918 -1.195 32 HG13 ILE 4 HG13 ILE 4 4.352 7.499 -0.445 33 HG21 ILE 4 HG21 ILE 4 0.848 8.638 -0.911 34 HG22 ILE 4 HG22 ILE 4 2.413 9.016 -0.188 35 HG23 ILE 4 HG23 ILE 4 1.368 7.799 0.551 36 HD11 ILE 4 HD11 ILE 4 4.479 5.681 1.168 37 HD12 ILE 4 HD12 ILE 4 2.858 5.152 0.726 38 HD13 ILE 4 HD13 ILE 4 3.095 6.724 1.497 39 H VAL 5 H VAL 5 -0.541 7.398 -0.924 40 HA VAL 5 HA VAL 5 -1.354 7.982 -3.660 41 HB VAL 5 HB VAL 5 -3.871 7.995 -2.932 42 HG11 VAL 5 HG11 VAL 5 -4.262 5.719 -3.758 43 HG12 VAL 5 HG12 VAL 5 -2.550 5.336 -3.539 44 HG13 VAL 5 HG13 VAL 5 -3.037 6.554 -4.719 45 HG21 VAL 5 HG21 VAL 5 -3.544 7.491 -0.549 46 HG22 VAL 5 HG22 VAL 5 -2.857 5.919 -0.959 47 HG23 VAL 5 HG23 VAL 5 -4.551 6.261 -1.317 48 H GLY 6 H GLY 6 -1.471 8.698 -0.176 49 HA2 GLY 6 HA2 GLY 6 -1.112 11.480 -0.633 50 HA3 GLY 6 HA3 GLY 6 -2.767 11.112 -0.141 51 H VAL 7 H VAL 7 -2.074 12.553 1.597 52 HA VAL 7 HA VAL 7 -1.096 10.941 3.886 53 HB VAL 7 HB VAL 7 0.302 13.018 3.271 54 HG11 VAL 7 HG11 VAL 7 -0.504 15.236 3.985 55 HG12 VAL 7 HG12 VAL 7 -2.086 14.552 4.361 56 HG13 VAL 7 HG13 VAL 7 -1.506 14.571 2.693 57 HG21 VAL 7 HG21 VAL 7 0.665 13.710 5.623 58 HG22 VAL 7 HG22 VAL 7 0.522 11.957 5.472 59 HG23 VAL 7 HG23 VAL 7 -0.834 12.902 6.091 60 H THR 8 H THR 8 -2.253 11.402 5.907 61 HA THR 8 HA THR 8 -4.899 12.655 5.621 62 HB THR 8 HB THR 8 -5.471 10.343 5.397 63 HG1 THR 8 HG1 THR 8 -6.806 11.507 6.849 64 HG21 THR 8 HG21 THR 8 -4.834 8.580 7.006 65 HG22 THR 8 HG22 THR 8 -3.818 9.734 7.873 66 HG23 THR 8 HG23 THR 8 -3.419 9.279 6.215 67 H TYR 9 H TYR 9 -5.464 13.934 7.262 68 HA TYR 9 HA TYR 9 -3.957 13.905 9.797 69 HB2 TYR 9 HB2 TYR 9 -4.088 16.160 7.816 70 HB3 TYR 9 HB3 TYR 9 -4.279 16.615 9.500 71 HD1 TYR 9 HD1 TYR 9 -1.894 15.274 6.989 72 HD2 TYR 9 HD2 TYR 9 -2.433 16.422 11.076 73 HE1 TYR 9 HE1 TYR 9 0.543 15.274 7.320 74 HE2 TYR 9 HE2 TYR 9 -0.001 16.423 11.397 75 HH TYR 9 HH TYR 9 1.989 15.227 10.290 76 HA PRO 10 HA PRO 10 -8.127 14.550 11.452 77 HB2 PRO 10 HB2 PRO 10 -7.508 14.903 14.060 78 HB3 PRO 10 HB3 PRO 10 -7.315 13.326 13.281 79 HG2 PRO 10 HG2 PRO 10 -5.217 15.442 13.799 80 HG3 PRO 10 HG3 PRO 10 -5.142 13.701 14.144 81 HD2 PRO 10 HD2 PRO 10 -4.026 14.795 11.915 82 HD3 PRO 10 HD3 PRO 10 -4.711 13.154 11.922 83 H ILE 11 H ILE 11 -5.588 16.796 11.323 84 HA ILE 11 HA ILE 11 -5.244 18.981 11.497 85 HB ILE 11 HB ILE 11 -8.272 19.314 11.423 86 HG12 ILE 11 HG12 ILE 11 -7.449 18.068 9.435 87 HG13 ILE 11 HG13 ILE 11 -8.021 19.666 8.977 88 HG21 ILE 11 HG21 ILE 11 -7.807 21.612 10.601 89 HG22 ILE 11 HG22 ILE 11 -6.081 21.342 10.844 90 HG23 ILE 11 HG23 ILE 11 -7.173 21.353 12.229 91 HD11 ILE 11 HD11 ILE 11 -5.136 18.838 9.292 92 HD12 ILE 11 HD12 ILE 11 -5.705 20.440 8.813 93 HD13 ILE 11 HD13 ILE 11 -6.012 19.049 7.777 94 HA PRO 12 HA PRO 12 -5.156 18.800 15.964 95 HB2 PRO 12 HB2 PRO 12 -3.459 20.883 16.503 96 HB3 PRO 12 HB3 PRO 12 -2.914 19.368 15.771 97 HG2 PRO 12 HG2 PRO 12 -3.626 21.975 14.410 98 HG3 PRO 12 HG3 PRO 12 -2.188 20.955 14.174 99 HD2 PRO 12 HD2 PRO 12 -4.279 20.834 12.472 100 HD3 PRO 12 HD3 PRO 12 -3.357 19.373 12.898 101 H LYS 13 H LYS 13 -6.463 21.527 14.314 102 HA LYS 13 HA LYS 13 -7.954 22.388 16.723 103 HB2 LYS 13 HB2 LYS 13 -6.726 24.280 14.655 104 HB3 LYS 13 HB3 LYS 13 -7.746 24.760 16.009 105 HG2 LYS 13 HG2 LYS 13 -6.001 23.918 17.590 106 HG3 LYS 13 HG3 LYS 13 -4.981 23.509 16.210 107 HD2 LYS 13 HD2 LYS 13 -4.219 25.613 17.146 108 HD3 LYS 13 HD3 LYS 13 -4.941 25.929 15.567 109 HE2 LYS 13 HE2 LYS 13 -7.022 26.685 16.685 110 HE3 LYS 13 HE3 LYS 13 -6.286 26.371 18.259 111 HZ1 LYS 13 HZ1 LYS 13 -4.622 28.046 17.787 112 HZ2 LYS 13 HZ2 LYS 13 -6.169 28.710 17.642 113 HZ3 LYS 13 HZ3 LYS 13 -5.284 28.325 16.258 114 H ARG 14 H ARG 14 -9.691 24.153 15.737 115 HA ARG 14 HA ARG 14 -11.589 22.586 14.289 116 HB2 ARG 14 HB2 ARG 14 -12.226 24.158 16.065 117 HB3 ARG 14 HB3 ARG 14 -11.571 25.509 15.159 118 HG2 ARG 14 HG2 ARG 14 -14.016 25.501 15.113 119 HG3 ARG 14 HG3 ARG 14 -13.356 25.295 13.490 120 HD2 ARG 14 HD2 ARG 14 -13.747 22.815 13.733 121 HD3 ARG 14 HD3 ARG 14 -14.568 23.153 15.261 122 HE ARG 14 HE ARG 14 -16.073 24.640 13.843 123 HH11 ARG 14 HH11 ARG 14 -14.585 21.730 12.563 124 HH12 ARG 14 HH12 ARG 14 -15.828 21.467 11.388 125 HH21 ARG 14 HH21 ARG 14 -17.677 24.316 12.274 126 HH22 ARG 14 HH22 ARG 14 -17.585 22.950 11.210 127 H PHE 15 H PHE 15 -8.960 24.018 13.016 128 HA PHE 15 HA PHE 15 -9.936 25.489 10.783 129 HB2 PHE 15 HB2 PHE 15 -7.217 24.294 11.418 130 HB3 PHE 15 HB3 PHE 15 -7.525 25.351 10.045 131 HD1 PHE 15 HD1 PHE 15 -9.172 27.492 11.150 132 HD2 PHE 15 HD2 PHE 15 -5.832 25.480 12.901 133 HE1 PHE 15 HE1 PHE 15 -8.657 29.491 12.478 134 HE2 PHE 15 HE2 PHE 15 -5.334 27.485 14.237 135 HZ PHE 15 HZ PHE 15 -6.742 29.491 14.021 136 H MET 16 H MET 16 -10.295 22.185 11.205 137 HA MET 16 HA MET 16 -9.641 21.229 8.592 138 HB2 MET 16 HB2 MET 16 -10.969 19.287 9.027 139 HB3 MET 16 HB3 MET 16 -10.242 19.723 10.561 140 HG2 MET 16 HG2 MET 16 -13.091 20.432 9.816 141 HG3 MET 16 HG3 MET 16 -12.642 18.963 10.673 142 HE1 MET 16 HE1 MET 16 -10.473 19.738 12.736 143 HE2 MET 16 HE2 MET 16 -11.933 18.856 13.194 144 HE3 MET 16 HE3 MET 16 -11.425 20.268 14.121 145 H ASP 17 H ASP 17 -12.317 22.987 9.943 146 HA ASP 17 HA ASP 17 -14.297 22.684 7.972 147 HB2 ASP 17 HB2 ASP 17 -14.723 23.556 10.260 148 HB3 ASP 17 HB3 ASP 17 -13.807 25.011 9.883 149 H ARG 18 H ARG 18 -11.515 24.784 8.155 150 HA ARG 18 HA ARG 18 -12.021 26.847 6.373 151 HB2 ARG 18 HB2 ARG 18 -9.445 25.296 6.841 152 HB3 ARG 18 HB3 ARG 18 -9.529 26.826 5.972 153 HG2 ARG 18 HG2 ARG 18 -10.410 26.519 8.857 154 HG3 ARG 18 HG3 ARG 18 -8.765 26.930 8.378 155 HD2 ARG 18 HD2 ARG 18 -9.791 28.903 7.091 156 HD3 ARG 18 HD3 ARG 18 -11.282 28.561 7.980 157 HE ARG 18 HE ARG 18 -9.036 28.751 9.726 158 HH11 ARG 18 HH11 ARG 18 -11.299 30.807 7.996 159 HH12 ARG 18 HH12 ARG 18 -11.016 32.164 9.034 160 HH21 ARG 18 HH21 ARG 18 -8.710 30.527 11.054 161 HH22 ARG 18 HH22 ARG 18 -9.558 32.006 10.758 162 H PHE 19 H PHE 19 -10.807 23.582 5.667 163 HA PHE 19 HA PHE 19 -10.302 23.970 2.898 164 HB2 PHE 19 HB2 PHE 19 -10.821 21.355 4.395 165 HB3 PHE 19 HB3 PHE 19 -10.069 21.499 2.813 166 HD1 PHE 19 HD1 PHE 19 -9.569 22.177 6.443 167 HD2 PHE 19 HD2 PHE 19 -7.719 21.952 2.599 168 HE1 PHE 19 HE1 PHE 19 -7.353 22.261 7.503 169 HE2 PHE 19 HE2 PHE 19 -5.506 22.035 3.666 170 HZ PHE 19 HZ PHE 19 -5.322 22.197 6.114 171 H PHE 20 H PHE 20 -13.149 23.037 4.731 172 HA PHE 20 HA PHE 20 -14.686 22.138 2.401 173 HB2 PHE 20 HB2 PHE 20 -15.631 22.468 5.284 174 HB3 PHE 20 HB3 PHE 20 -16.413 21.536 4.014 175 HD1 PHE 20 HD1 PHE 20 -14.651 19.731 2.888 176 HD2 PHE 20 HD2 PHE 20 -14.552 21.169 6.908 177 HE1 PHE 20 HE1 PHE 20 -13.420 17.720 3.581 178 HE2 PHE 20 HE2 PHE 20 -13.317 19.154 7.591 179 HZ PHE 20 HZ PHE 20 -12.747 17.431 5.929 180 H LYS 21 H LYS 21 -14.130 25.015 4.182 181 HA LYS 21 HA LYS 21 -16.634 26.370 3.743 182 HB2 LYS 21 HB2 LYS 21 -15.293 26.876 5.711 183 HB3 LYS 21 HB3 LYS 21 -13.897 27.283 4.732 184 HG2 LYS 21 HG2 LYS 21 -16.395 28.936 4.409 185 HG3 LYS 21 HG3 LYS 21 -15.434 29.149 5.872 186 HD2 LYS 21 HD2 LYS 21 -13.440 29.687 4.481 187 HD3 LYS 21 HD3 LYS 21 -14.406 29.480 3.018 188 HE2 LYS 21 HE2 LYS 21 -15.848 31.359 3.705 189 HE3 LYS 21 HE3 LYS 21 -14.890 31.564 5.174 190 HZ1 LYS 21 HZ1 LYS 21 -12.972 32.074 3.798 191 HZ2 LYS 21 HZ2 LYS 21 -14.248 33.130 3.459 192 HZ3 LYS 21 HZ3 LYS 21 -13.889 31.868 2.391 193 H LYS 22 H LYS 22 -13.322 26.747 2.453 194 HA LYS 22 HA LYS 22 -14.272 28.685 0.442 195 HB2 LYS 22 HB2 LYS 22 -11.881 29.259 0.202 196 HB3 LYS 22 HB3 LYS 22 -12.400 29.352 1.881 197 HG2 LYS 22 HG2 LYS 22 -11.446 26.960 2.118 198 HG3 LYS 22 HG3 LYS 22 -10.667 27.252 0.566 199 HD2 LYS 22 HD2 LYS 22 -9.078 27.714 2.302 200 HD3 LYS 22 HD3 LYS 22 -9.528 29.259 1.578 201 HE2 LYS 22 HE2 LYS 22 -10.871 29.831 3.496 202 HE3 LYS 22 HE3 LYS 22 -10.767 28.191 4.140 203 HZ1 LYS 22 HZ1 LYS 22 -8.407 28.479 4.484 204 HZ2 LYS 22 HZ2 LYS 22 -9.262 29.703 5.285 205 HZ3 LYS 22 HZ3 LYS 22 -8.463 30.040 3.842 206 H GLY 23 H GLY 23 -13.260 25.391 0.674 207 HA2 GLY 23 HA2 GLY 23 -13.321 23.718 -0.906 208 HA3 GLY 23 HA3 GLY 23 -13.704 24.906 -2.138 209 H LYS 24 H LYS 24 -11.275 26.519 -1.486 210 HA LYS 24 HA LYS 24 -9.069 24.763 -2.405 211 HB2 LYS 24 HB2 LYS 24 -9.428 27.703 -3.140 212 HB3 LYS 24 HB3 LYS 24 -8.190 26.601 -3.730 213 HG2 LYS 24 HG2 LYS 24 -11.149 26.488 -4.379 214 HG3 LYS 24 HG3 LYS 24 -9.864 27.075 -5.441 215 HD2 LYS 24 HD2 LYS 24 -8.844 24.722 -5.254 216 HD3 LYS 24 HD3 LYS 24 -10.363 24.228 -4.500 217 HE2 LYS 24 HE2 LYS 24 -10.443 23.674 -6.854 218 HE3 LYS 24 HE3 LYS 24 -11.563 25.009 -6.571 219 HZ1 LYS 24 HZ1 LYS 24 -9.875 26.542 -7.390 220 HZ2 LYS 24 HZ2 LYS 24 -10.229 25.367 -8.551 221 HZ3 LYS 24 HZ3 LYS 24 -8.804 25.258 -7.652 222 H ASP 25 H ASP 25 -8.101 24.512 -0.390 223 HA ASP 25 HA ASP 25 -7.424 26.934 1.188 224 HB2 ASP 25 HB2 ASP 25 -8.938 25.167 2.246 225 HB3 ASP 25 HB3 ASP 25 -7.567 24.075 2.205 226 H VAL 26 H VAL 26 -5.305 26.475 2.573 227 HA VAL 26 HA VAL 26 -3.314 24.853 1.115 228 HB VAL 26 HB VAL 26 -2.876 27.753 1.990 229 HG11 VAL 26 HG11 VAL 26 -0.528 27.514 1.189 230 HG12 VAL 26 HG12 VAL 26 -0.793 25.786 0.948 231 HG13 VAL 26 HG13 VAL 26 -0.867 26.471 2.573 232 HG21 VAL 26 HG21 VAL 26 -2.349 28.168 -0.397 233 HG22 VAL 26 HG22 VAL 26 -3.994 27.571 -0.186 234 HG23 VAL 26 HG23 VAL 26 -2.732 26.485 -0.773 235 H PHE 27 H PHE 27 -2.755 23.354 2.562 236 HA PHE 27 HA PHE 27 -2.808 23.812 5.434 237 HB2 PHE 27 HB2 PHE 27 -3.631 21.652 4.516 238 HB3 PHE 27 HB3 PHE 27 -2.038 21.320 3.850 239 HD1 PHE 27 HD1 PHE 27 -3.876 21.829 7.056 240 HD2 PHE 27 HD2 PHE 27 -0.369 20.251 5.199 241 HE1 PHE 27 HE1 PHE 27 -3.237 20.758 9.166 242 HE2 PHE 27 HE2 PHE 27 0.260 19.178 7.313 243 HZ PHE 27 HZ PHE 27 -1.172 19.423 9.302 244 H VAL 28 H VAL 28 -1.097 24.947 6.244 245 HA VAL 28 HA VAL 28 1.618 24.493 5.252 246 HB VAL 28 HB VAL 28 2.319 26.245 6.921 247 HG11 VAL 28 HG11 VAL 28 0.183 27.052 4.905 248 HG12 VAL 28 HG12 VAL 28 1.909 26.826 4.580 249 HG13 VAL 28 HG13 VAL 28 1.371 28.145 5.625 250 HG21 VAL 28 HG21 VAL 28 -0.682 26.581 7.389 251 HG22 VAL 28 HG22 VAL 28 0.579 27.675 7.976 252 HG23 VAL 28 HG23 VAL 28 0.504 26.017 8.571 253 H LYS 29 H LYS 29 3.200 23.530 6.336 254 HA LYS 29 HA LYS 29 2.722 22.186 8.904 255 HB2 LYS 29 HB2 LYS 29 2.169 20.657 6.952 256 HB3 LYS 29 HB3 LYS 29 3.816 20.851 6.382 257 HG2 LYS 29 HG2 LYS 29 4.025 18.846 7.458 258 HG3 LYS 29 HG3 LYS 29 4.429 19.922 8.793 259 HD2 LYS 29 HD2 LYS 29 1.654 18.761 8.316 260 HD3 LYS 29 HD3 LYS 29 2.856 18.015 9.361 261 HE2 LYS 29 HE2 LYS 29 2.815 20.017 10.820 262 HE3 LYS 29 HE3 LYS 29 1.607 20.754 9.765 263 HZ1 LYS 29 HZ1 LYS 29 0.094 18.973 10.290 264 HZ2 LYS 29 HZ2 LYS 29 0.621 19.710 11.720 265 HZ3 LYS 29 HZ3 LYS 29 1.257 18.214 11.251 266 HA PRO 30 HA PRO 30 7.105 23.645 9.271 267 HB2 PRO 30 HB2 PRO 30 7.641 22.613 11.764 268 HB3 PRO 30 HB3 PRO 30 6.715 24.100 11.512 269 HG2 PRO 30 HG2 PRO 30 5.714 21.305 12.044 270 HG3 PRO 30 HG3 PRO 30 5.171 22.841 12.753 271 HD2 PRO 30 HD2 PRO 30 3.819 21.626 10.729 272 HD3 PRO 30 HD3 PRO 30 3.873 23.397 10.889 273 H ALA 31 H ALA 31 6.921 21.715 7.491 274 HA ALA 31 HA ALA 31 7.757 19.889 6.462 275 HB1 ALA 31 HB1 ALA 31 10.177 19.603 6.643 276 HB2 ALA 31 HB2 ALA 31 10.197 20.527 8.149 277 HB3 ALA 31 HB3 ALA 31 9.754 21.316 6.634 278 H THR 32 H THR 32 6.298 19.250 8.945 279 HA THR 32 HA THR 32 7.519 17.052 10.300 280 HB THR 32 HB THR 32 4.517 17.547 10.044 281 HG1 THR 32 HG1 THR 32 6.307 18.792 11.883 282 HG21 THR 32 HG21 THR 32 6.156 16.425 12.347 283 HG22 THR 32 HG22 THR 32 5.158 15.469 11.247 284 HG23 THR 32 HG23 THR 32 4.406 16.646 12.327 285 H VAL 33 H VAL 33 5.607 17.368 7.366 286 HA VAL 33 HA VAL 33 5.293 14.496 6.975 287 HB VAL 33 HB VAL 33 4.626 16.725 4.998 288 HG11 VAL 33 HG11 VAL 33 4.750 14.524 3.950 289 HG12 VAL 33 HG12 VAL 33 3.071 15.056 4.030 290 HG13 VAL 33 HG13 VAL 33 3.663 13.851 5.169 291 HG21 VAL 33 HG21 VAL 33 3.384 17.117 7.093 292 HG22 VAL 33 HG22 VAL 33 2.770 15.466 7.054 293 HG23 VAL 33 HG23 VAL 33 2.295 16.613 5.800 294 H TRP 34 H TRP 34 6.262 13.357 5.231 295 HA TRP 34 HA TRP 34 9.043 14.006 4.800 296 HB2 TRP 34 HB2 TRP 34 7.367 11.651 3.822 297 HB3 TRP 34 HB3 TRP 34 9.116 11.770 3.685 298 HD1 TRP 34 HD1 TRP 34 9.394 12.901 6.829 299 HE1 TRP 34 HE1 TRP 34 9.285 11.123 8.677 300 HE3 TRP 34 HE3 TRP 34 7.109 9.143 4.224 301 HZ2 TRP 34 HZ2 TRP 34 8.353 8.488 9.014 302 HZ3 TRP 34 HZ3 TRP 34 6.641 7.017 5.380 303 HH2 TRP 34 HH2 TRP 34 7.253 6.695 7.731 304 H LYS 35 H LYS 35 9.765 13.107 2.422 305 HA LYS 35 HA LYS 35 9.007 15.104 0.520 306 HB2 LYS 35 HB2 LYS 35 11.299 13.751 0.918 307 HB3 LYS 35 HB3 LYS 35 10.610 12.663 -0.269 308 HG2 LYS 35 HG2 LYS 35 11.019 15.624 -0.754 309 HG3 LYS 35 HG3 LYS 35 12.234 14.400 -1.129 310 HD2 LYS 35 HD2 LYS 35 10.776 13.361 -2.765 311 HD3 LYS 35 HD3 LYS 35 9.430 14.394 -2.294 312 HE2 LYS 35 HE2 LYS 35 10.751 16.372 -3.068 313 HE3 LYS 35 HE3 LYS 35 11.972 15.253 -3.678 314 HZ1 LYS 35 HZ1 LYS 35 10.308 14.287 -5.132 315 HZ2 LYS 35 HZ2 LYS 35 10.436 15.950 -5.418 316 HZ3 LYS 35 HZ3 LYS 35 9.125 15.338 -4.534 317 H GLU 36 H GLU 36 7.724 12.007 1.320 318 HA GLU 36 HA GLU 36 6.568 11.019 -1.000 319 HB2 GLU 36 HB2 GLU 36 5.223 11.101 1.746 320 HB3 GLU 36 HB3 GLU 36 4.789 10.015 0.420 321 HG2 GLU 36 HG2 GLU 36 7.368 10.013 2.027 322 HG3 GLU 36 HG3 GLU 36 6.083 8.809 2.069 323 H LEU 37 H LEU 37 5.617 13.804 0.911 324 HA LEU 37 HA LEU 37 3.112 14.306 -0.309 325 HB2 LEU 37 HB2 LEU 37 4.357 15.283 1.922 326 HB3 LEU 37 HB3 LEU 37 4.608 16.628 0.832 327 HG LEU 37 HG LEU 37 2.596 17.005 2.149 328 HD11 LEU 37 HD11 LEU 37 1.826 16.319 -0.693 329 HD12 LEU 37 HD12 LEU 37 2.544 17.842 -0.145 330 HD13 LEU 37 HD13 LEU 37 0.939 17.371 0.414 331 HD21 LEU 37 HD21 LEU 37 1.510 14.434 0.988 332 HD22 LEU 37 HD22 LEU 37 0.684 15.533 2.095 333 HD23 LEU 37 HD23 LEU 37 2.098 14.639 2.635 334 H LYS 38 H LYS 38 3.060 14.495 -2.468 335 HA LYS 38 HA LYS 38 4.757 16.536 -3.782 336 HB2 LYS 38 HB2 LYS 38 4.953 15.125 -5.752 337 HB3 LYS 38 HB3 LYS 38 5.521 14.243 -4.354 338 HG2 LYS 38 HG2 LYS 38 4.314 12.583 -5.379 339 HG3 LYS 38 HG3 LYS 38 3.040 13.254 -4.365 340 HD2 LYS 38 HD2 LYS 38 2.117 12.908 -6.561 341 HD3 LYS 38 HD3 LYS 38 2.308 14.641 -6.361 342 HE2 LYS 38 HE2 LYS 38 3.030 14.003 -8.589 343 HE3 LYS 38 HE3 LYS 38 4.438 14.509 -7.652 344 HZ1 LYS 38 HZ1 LYS 38 4.928 12.166 -7.224 345 HZ2 LYS 38 HZ2 LYS 38 4.924 12.506 -8.881 346 HZ3 LYS 38 HZ3 LYS 38 3.609 11.705 -8.181 347 HA PRO 39 HA PRO 39 0.906 18.319 -5.214 348 HB2 PRO 39 HB2 PRO 39 1.680 19.551 -7.540 349 HB3 PRO 39 HB3 PRO 39 2.127 20.162 -5.940 350 HG2 PRO 39 HG2 PRO 39 3.749 18.511 -7.864 351 HG3 PRO 39 HG3 PRO 39 4.253 19.905 -6.888 352 HD2 PRO 39 HD2 PRO 39 4.786 17.314 -6.167 353 HD3 PRO 39 HD3 PRO 39 4.543 18.615 -4.969 354 H GLY 40 H GLY 40 -0.438 16.615 -5.662 355 HA2 GLY 40 HA2 GLY 40 -1.641 15.952 -7.879 356 HA3 GLY 40 HA3 GLY 40 -0.144 15.071 -8.166 357 H MET 41 H MET 41 -0.642 15.008 -4.897 358 HA MET 41 HA MET 41 -1.884 12.353 -4.944 359 HB2 MET 41 HB2 MET 41 -0.483 13.907 -2.729 360 HB3 MET 41 HB3 MET 41 -1.249 12.346 -2.481 361 HG2 MET 41 HG2 MET 41 0.334 11.550 -4.416 362 HG3 MET 41 HG3 MET 41 1.259 12.992 -3.995 363 HE1 MET 41 HE1 MET 41 1.820 12.176 -0.089 364 HE2 MET 41 HE2 MET 41 0.300 12.825 -0.698 365 HE3 MET 41 HE3 MET 41 1.832 13.465 -1.295 366 H LYS 42 H LYS 42 -3.184 12.084 -2.664 367 HA LYS 42 HA LYS 42 -5.302 14.149 -2.571 368 HB2 LYS 42 HB2 LYS 42 -6.581 12.223 -1.341 369 HB3 LYS 42 HB3 LYS 42 -6.481 12.208 -3.093 370 HG2 LYS 42 HG2 LYS 42 -4.840 10.455 -3.041 371 HG3 LYS 42 HG3 LYS 42 -4.639 10.622 -1.301 372 HD2 LYS 42 HD2 LYS 42 -6.029 8.622 -2.017 373 HD3 LYS 42 HD3 LYS 42 -6.816 9.700 -0.856 374 HE2 LYS 42 HE2 LYS 42 -8.088 10.757 -2.701 375 HE3 LYS 42 HE3 LYS 42 -7.305 9.687 -3.858 376 HZ1 LYS 42 HZ1 LYS 42 -8.353 7.808 -2.786 377 HZ2 LYS 42 HZ2 LYS 42 -9.528 8.940 -3.233 378 HZ3 LYS 42 HZ3 LYS 42 -9.045 8.816 -1.618 379 H PHE 43 H PHE 43 -6.239 14.580 -0.462 380 HA PHE 43 HA PHE 43 -4.526 14.008 1.890 381 HB2 PHE 43 HB2 PHE 43 -4.130 16.352 0.851 382 HB3 PHE 43 HB3 PHE 43 -5.748 16.755 1.377 383 HD1 PHE 43 HD1 PHE 43 -5.796 15.558 4.135 384 HD2 PHE 43 HD2 PHE 43 -2.713 17.721 2.104 385 HE1 PHE 43 HE1 PHE 43 -4.910 16.322 6.284 386 HE2 PHE 43 HE2 PHE 43 -1.837 18.481 4.270 387 HZ PHE 43 HZ PHE 43 -2.937 17.789 6.362 388 H VAL 44 H VAL 44 -5.964 12.637 2.846 389 HA VAL 44 HA VAL 44 -8.807 13.262 2.905 390 HB VAL 44 HB VAL 44 -7.332 10.832 4.007 391 HG11 VAL 44 HG11 VAL 44 -10.310 11.311 3.602 392 HG12 VAL 44 HG12 VAL 44 -9.479 11.186 5.156 393 HG13 VAL 44 HG13 VAL 44 -9.579 9.781 4.092 394 HG21 VAL 44 HG21 VAL 44 -7.126 10.995 1.549 395 HG22 VAL 44 HG22 VAL 44 -8.874 11.182 1.395 396 HG23 VAL 44 HG23 VAL 44 -8.199 9.663 1.988 397 H PHE 45 H PHE 45 -9.775 14.241 4.531 398 HA PHE 45 HA PHE 45 -8.251 15.000 6.904 399 HB2 PHE 45 HB2 PHE 45 -10.992 15.938 5.941 400 HB3 PHE 45 HB3 PHE 45 -10.074 16.631 7.281 401 HD1 PHE 45 HD1 PHE 45 -7.727 17.584 6.750 402 HD2 PHE 45 HD2 PHE 45 -10.645 16.771 3.734 403 HE1 PHE 45 HE1 PHE 45 -6.518 19.029 5.180 404 HE2 PHE 45 HE2 PHE 45 -9.428 18.220 2.181 405 HZ PHE 45 HZ PHE 45 -7.364 19.343 2.895 406 H TYR 46 H TYR 46 -8.316 13.629 8.532 407 HA TYR 46 HA TYR 46 -10.502 11.900 9.219 408 HB2 TYR 46 HB2 TYR 46 -8.036 11.480 9.754 409 HB3 TYR 46 HB3 TYR 46 -8.125 12.767 10.939 410 HD1 TYR 46 HD1 TYR 46 -9.544 12.434 13.031 411 HD2 TYR 46 HD2 TYR 46 -8.862 9.279 10.230 412 HE1 TYR 46 HE1 TYR 46 -10.285 10.785 14.699 413 HE2 TYR 46 HE2 TYR 46 -9.598 7.645 11.899 414 HH TYR 46 HH TYR 46 -11.196 8.527 14.767 415 H GLN 47 H GLN 47 -11.982 12.228 10.996 416 HA GLN 47 HA GLN 47 -12.687 15.012 11.434 417 HB2 GLN 47 HB2 GLN 47 -14.393 13.271 10.778 418 HB3 GLN 47 HB3 GLN 47 -14.164 12.508 12.349 419 HG2 GLN 47 HG2 GLN 47 -14.944 14.576 13.456 420 HG3 GLN 47 HG3 GLN 47 -15.186 15.329 11.879 421 HE21 GLN 47 HE21 GLN 47 -16.917 14.602 10.584 422 HE22 GLN 47 HE22 GLN 47 -18.228 13.702 11.244 423 H SER 48 H SER 48 -10.653 15.229 12.662 424 HA SER 48 HA SER 48 -9.351 15.415 14.473 425 HB2 SER 48 HB2 SER 48 -10.443 16.637 16.355 426 HB3 SER 48 HB3 SER 48 -10.864 17.279 14.770 427 HG SER 48 HG SER 48 -12.869 16.362 14.925 428 H HIS 49 H HIS 49 -12.173 14.236 16.304 429 HA HIS 49 HA HIS 49 -10.902 11.769 17.116 430 HB2 HIS 49 HB2 HIS 49 -11.084 12.420 19.623 431 HB3 HIS 49 HB3 HIS 49 -9.726 13.085 18.726 432 HD1 HIS 49 HD1 HIS 49 -9.793 15.643 18.180 433 HD2 HIS 49 HD2 HIS 49 -12.880 14.332 20.634 434 HE1 HIS 49 HE1 HIS 49 -10.836 17.726 19.124 435 HE2 HIS 49 HE2 HIS 49 -12.813 16.913 20.450 436 H GLU 50 H GLU 50 -12.731 10.820 16.202 437 HA GLU 50 HA GLU 50 -14.996 10.487 17.926 438 HB2 GLU 50 HB2 GLU 50 -15.446 12.705 16.597 439 HB3 GLU 50 HB3 GLU 50 -15.732 11.664 15.210 440 HG2 GLU 50 HG2 GLU 50 -17.603 10.601 16.315 441 HG3 GLU 50 HG3 GLU 50 -17.241 11.410 17.832 442 H ASP 51 H ASP 51 -16.704 9.017 16.767 443 HA ASP 51 HA ASP 51 -15.464 6.598 16.055 444 HB2 ASP 51 HB2 ASP 51 -18.384 7.391 15.629 445 HB3 ASP 51 HB3 ASP 51 -17.760 5.746 15.641 446 H THR 52 H THR 52 -17.326 8.888 14.063 447 HA THR 52 HA THR 52 -16.875 7.583 11.566 448 HB THR 52 HB THR 52 -17.663 9.827 10.601 449 HG1 THR 52 HG1 THR 52 -16.960 11.054 12.524 450 HG21 THR 52 HG21 THR 52 -19.464 8.563 12.700 451 HG22 THR 52 HG22 THR 52 -19.270 7.999 11.041 452 HG23 THR 52 HG23 THR 52 -19.995 9.575 11.354 453 H GLY 53 H GLY 53 -14.869 7.304 10.909 454 HA2 GLY 53 HA2 GLY 53 -12.624 8.652 11.871 455 HA3 GLY 53 HA3 GLY 53 -12.653 7.538 10.522 456 H PHE 54 H PHE 54 -14.165 8.865 8.652 457 HA PHE 54 HA PHE 54 -12.347 11.079 7.927 458 HB2 PHE 54 HB2 PHE 54 -14.361 9.568 6.217 459 HB3 PHE 54 HB3 PHE 54 -13.197 10.749 5.635 460 HD1 PHE 54 HD1 PHE 54 -10.708 9.882 7.044 461 HD2 PHE 54 HD2 PHE 54 -13.752 7.577 5.120 462 HE1 PHE 54 HE1 PHE 54 -9.080 8.100 6.574 463 HE2 PHE 54 HE2 PHE 54 -12.116 5.800 4.659 464 HZ PHE 54 HZ PHE 54 -9.779 6.062 5.381 465 H VAL 55 H VAL 55 -13.027 13.154 8.044 466 HA VAL 55 HA VAL 55 -15.901 13.813 8.075 467 HB VAL 55 HB VAL 55 -14.515 14.974 9.721 468 HG11 VAL 55 HG11 VAL 55 -12.975 16.199 7.420 469 HG12 VAL 55 HG12 VAL 55 -12.353 15.031 8.587 470 HG13 VAL 55 HG13 VAL 55 -12.808 16.650 9.121 471 HG21 VAL 55 HG21 VAL 55 -15.557 16.899 7.629 472 HG22 VAL 55 HG22 VAL 55 -15.215 17.302 9.314 473 HG23 VAL 55 HG23 VAL 55 -16.494 16.151 8.925 474 H GLY 56 H GLY 56 -13.026 14.027 6.065 475 HA2 GLY 56 HA2 GLY 56 -14.528 14.306 3.655 476 HA3 GLY 56 HA3 GLY 56 -13.792 15.843 4.109 477 H GLU 57 H GLU 57 -12.778 15.385 1.942 478 HA GLU 57 HA GLU 57 -10.030 14.739 2.472 479 HB2 GLU 57 HB2 GLU 57 -9.655 13.089 0.752 480 HB3 GLU 57 HB3 GLU 57 -10.912 12.483 1.820 481 HG2 GLU 57 HG2 GLU 57 -12.619 13.056 0.162 482 HG3 GLU 57 HG3 GLU 57 -11.380 13.728 -0.898 483 H ALA 58 H ALA 58 -8.807 15.035 0.171 484 HA ALA 58 HA ALA 58 -10.018 16.944 -1.618 485 HB1 ALA 58 HB1 ALA 58 -9.544 18.437 0.273 486 HB2 ALA 58 HB2 ALA 58 -8.487 18.825 -1.089 487 HB3 ALA 58 HB3 ALA 58 -7.861 17.912 0.288 488 H ARG 59 H ARG 59 -7.948 18.052 -2.843 489 HA ARG 59 HA ARG 59 -6.107 15.872 -3.624 490 HB2 ARG 59 HB2 ARG 59 -7.591 17.911 -5.326 491 HB3 ARG 59 HB3 ARG 59 -6.199 17.012 -5.936 492 HG2 ARG 59 HG2 ARG 59 -8.687 15.674 -4.812 493 HG3 ARG 59 HG3 ARG 59 -8.471 16.048 -6.530 494 HD2 ARG 59 HD2 ARG 59 -6.606 14.270 -4.880 495 HD3 ARG 59 HD3 ARG 59 -7.875 13.683 -5.968 496 HE ARG 59 HE ARG 59 -6.426 15.306 -7.580 497 HH11 ARG 59 HH11 ARG 59 -5.442 12.599 -5.552 498 HH12 ARG 59 HH12 ARG 59 -4.104 12.181 -6.568 499 HH21 ARG 59 HH21 ARG 59 -4.692 14.719 -8.895 500 HH22 ARG 59 HH22 ARG 59 -3.684 13.375 -8.458 501 H ILE 60 H ILE 60 -4.119 16.310 -3.170 502 HA ILE 60 HA ILE 60 -3.090 18.829 -2.353 503 HB ILE 60 HB ILE 60 -1.865 16.103 -2.851 504 HG12 ILE 60 HG12 ILE 60 -1.910 17.724 -0.279 505 HG13 ILE 60 HG13 ILE 60 -3.252 16.697 -0.737 506 HG21 ILE 60 HG21 ILE 60 0.321 16.907 -2.020 507 HG22 ILE 60 HG22 ILE 60 -0.275 18.566 -2.046 508 HG23 ILE 60 HG23 ILE 60 -0.114 17.666 -3.554 509 HD11 ILE 60 HD11 ILE 60 -1.784 14.747 -0.680 510 HD12 ILE 60 HD12 ILE 60 -1.771 15.615 0.854 511 HD13 ILE 60 HD13 ILE 60 -0.415 15.781 -0.258 512 H LYS 61 H LYS 61 -1.836 20.192 -3.335 513 HA LYS 61 HA LYS 61 -0.985 20.015 -6.123 514 HB2 LYS 61 HB2 LYS 61 -2.791 22.171 -4.930 515 HB3 LYS 61 HB3 LYS 61 -1.969 22.352 -6.472 516 HG2 LYS 61 HG2 LYS 61 -3.973 20.158 -5.868 517 HG3 LYS 61 HG3 LYS 61 -4.394 21.700 -6.615 518 HD2 LYS 61 HD2 LYS 61 -2.418 19.693 -7.798 519 HD3 LYS 61 HD3 LYS 61 -4.122 19.814 -8.247 520 HE2 LYS 61 HE2 LYS 61 -3.752 22.144 -8.993 521 HE3 LYS 61 HE3 LYS 61 -2.042 21.998 -8.581 522 HZ1 LYS 61 HZ1 LYS 61 -3.479 20.373 -10.605 523 HZ2 LYS 61 HZ2 LYS 61 -1.832 20.255 -10.230 524 HZ3 LYS 61 HZ3 LYS 61 -2.442 21.669 -10.931 525 H ARG 62 H ARG 62 -0.165 22.799 -6.187 526 HA ARG 62 HA ARG 62 2.452 22.463 -5.851 527 HB2 ARG 62 HB2 ARG 62 2.771 24.839 -6.054 528 HB3 ARG 62 HB3 ARG 62 1.311 24.427 -6.942 529 HG2 ARG 62 HG2 ARG 62 -0.010 25.220 -4.925 530 HG3 ARG 62 HG3 ARG 62 1.504 25.816 -4.247 531 HD2 ARG 62 HD2 ARG 62 0.457 27.684 -5.289 532 HD3 ARG 62 HD3 ARG 62 1.761 27.199 -6.382 533 HE ARG 62 HE ARG 62 -0.935 26.155 -6.872 534 HH11 ARG 62 HH11 ARG 62 1.633 28.328 -7.894 535 HH12 ARG 62 HH12 ARG 62 0.852 28.722 -9.390 536 HH21 ARG 62 HH21 ARG 62 -1.927 26.649 -8.819 537 HH22 ARG 62 HH22 ARG 62 -1.189 27.772 -9.914 538 H VAL 63 H VAL 63 3.901 22.119 -4.281 539 HA VAL 63 HA VAL 63 3.254 22.898 -1.503 540 HB VAL 63 HB VAL 63 4.840 21.142 -0.749 541 HG11 VAL 63 HG11 VAL 63 2.664 20.111 -2.616 542 HG12 VAL 63 HG12 VAL 63 2.454 20.602 -0.933 543 HG13 VAL 63 HG13 VAL 63 3.427 19.182 -1.319 544 HG21 VAL 63 HG21 VAL 63 5.081 20.374 -3.699 545 HG22 VAL 63 HG22 VAL 63 5.713 19.430 -2.344 546 HG23 VAL 63 HG23 VAL 63 6.370 21.030 -2.692 547 H VAL 64 H VAL 64 4.104 24.802 -1.029 548 HA VAL 64 HA VAL 64 6.565 25.780 -2.285 549 HB VAL 64 HB VAL 64 4.590 27.234 -0.469 550 HG11 VAL 64 HG11 VAL 64 5.632 29.320 -1.326 551 HG12 VAL 64 HG12 VAL 64 6.826 28.359 -2.200 552 HG13 VAL 64 HG13 VAL 64 6.789 28.325 -0.436 553 HG21 VAL 64 HG21 VAL 64 4.764 27.245 -3.509 554 HG22 VAL 64 HG22 VAL 64 3.689 28.258 -2.543 555 HG23 VAL 64 HG23 VAL 64 3.483 26.505 -2.542 556 H LEU 65 H LEU 65 8.445 25.400 -1.289 557 HA LEU 65 HA LEU 65 8.579 24.876 1.605 558 HB2 LEU 65 HB2 LEU 65 10.753 24.562 -0.513 559 HB3 LEU 65 HB3 LEU 65 10.795 23.944 1.133 560 HG LEU 65 HG LEU 65 8.850 22.985 -1.010 561 HD11 LEU 65 HD11 LEU 65 10.230 20.962 -1.190 562 HD12 LEU 65 HD12 LEU 65 11.417 21.655 -0.081 563 HD13 LEU 65 HD13 LEU 65 11.135 22.402 -1.655 564 HD21 LEU 65 HD21 LEU 65 8.401 21.115 0.530 565 HD22 LEU 65 HD22 LEU 65 7.987 22.665 1.256 566 HD23 LEU 65 HD23 LEU 65 9.472 21.837 1.735 567 H SER 66 H SER 66 9.112 26.554 2.888 568 HA SER 66 HA SER 66 11.263 28.388 2.209 569 HB2 SER 66 HB2 SER 66 9.278 29.571 1.291 570 HB3 SER 66 HB3 SER 66 8.473 29.463 2.861 571 HG SER 66 HG SER 66 10.847 30.891 2.215 572 H GLU 67 H GLU 67 12.329 29.109 3.956 573 HA GLU 67 HA GLU 67 12.055 27.845 6.482 574 HB2 GLU 67 HB2 GLU 67 13.776 30.098 5.431 575 HB3 GLU 67 HB3 GLU 67 13.895 29.573 7.105 576 HG2 GLU 67 HG2 GLU 67 14.736 27.453 6.505 577 HG3 GLU 67 HG3 GLU 67 14.238 27.617 4.830 578 H ASN 68 H ASN 68 10.865 30.902 5.219 579 HA ASN 68 HA ASN 68 9.789 31.638 7.869 580 HB2 ASN 68 HB2 ASN 68 9.609 33.148 5.237 581 HB3 ASN 68 HB3 ASN 68 8.956 33.709 6.765 582 HD21 ASN 68 HD21 ASN 68 10.891 35.016 5.068 583 HD22 ASN 68 HD22 ASN 68 12.321 35.228 6.017 584 HA PRO 69 HA PRO 69 5.912 29.575 6.580 585 HB2 PRO 69 HB2 PRO 69 4.515 30.206 8.880 586 HB3 PRO 69 HB3 PRO 69 5.619 28.836 8.747 587 HG2 PRO 69 HG2 PRO 69 6.140 31.571 9.902 588 HG3 PRO 69 HG3 PRO 69 6.582 29.978 10.557 589 HD2 PRO 69 HD2 PRO 69 8.381 31.509 9.254 590 HD3 PRO 69 HD3 PRO 69 8.388 29.733 9.092 591 H MET 70 H MET 70 6.629 32.848 7.336 592 HA MET 70 HA MET 70 4.015 34.007 7.137 593 HB2 MET 70 HB2 MET 70 6.800 35.237 7.092 594 HB3 MET 70 HB3 MET 70 5.307 36.166 7.180 595 HG2 MET 70 HG2 MET 70 4.794 35.283 9.351 596 HG3 MET 70 HG3 MET 70 6.090 34.093 9.246 597 HE1 MET 70 HE1 MET 70 8.581 35.731 8.154 598 HE2 MET 70 HE2 MET 70 8.665 34.651 9.547 599 HE3 MET 70 HE3 MET 70 9.298 36.295 9.662 600 H GLN 71 H GLN 71 6.535 33.170 4.896 601 HA GLN 71 HA GLN 71 5.913 34.799 2.690 602 HB2 GLN 71 HB2 GLN 71 7.082 31.986 2.747 603 HB3 GLN 71 HB3 GLN 71 7.054 33.019 1.318 604 HG2 GLN 71 HG2 GLN 71 8.499 33.659 3.905 605 HG3 GLN 71 HG3 GLN 71 9.252 32.972 2.472 606 HE21 GLN 71 HE21 GLN 71 7.801 34.673 0.574 607 HE22 GLN 71 HE22 GLN 71 8.464 36.257 0.741 608 H PHE 72 H PHE 72 4.322 31.998 3.981 609 HA PHE 72 HA PHE 72 2.800 31.349 1.599 610 HB2 PHE 72 HB2 PHE 72 2.316 30.381 4.442 611 HB3 PHE 72 HB3 PHE 72 1.826 29.593 2.943 612 HD1 PHE 72 HD1 PHE 72 4.517 29.895 1.442 613 HD2 PHE 72 HD2 PHE 72 3.558 28.614 5.405 614 HE1 PHE 72 HE1 PHE 72 6.555 28.524 1.508 615 HE2 PHE 72 HE2 PHE 72 5.585 27.249 5.447 616 HZ PHE 72 HZ PHE 72 7.090 27.197 3.505 617 H PHE 73 H PHE 73 2.431 33.392 4.392 618 HA PHE 73 HA PHE 73 -0.465 33.702 4.099 619 HB2 PHE 73 HB2 PHE 73 1.485 34.950 6.084 620 HB3 PHE 73 HB3 PHE 73 -0.265 35.169 6.115 621 HD1 PHE 73 HD1 PHE 73 -1.760 33.171 6.557 622 HD2 PHE 73 HD2 PHE 73 2.479 32.963 6.993 623 HE1 PHE 73 HE1 PHE 73 -1.984 31.122 7.882 624 HE2 PHE 73 HE2 PHE 73 2.238 30.913 8.319 625 HZ PHE 73 HZ PHE 73 0.006 29.987 8.761 626 H GLU 74 H GLU 74 2.424 35.292 2.999 627 HA GLU 74 HA GLU 74 0.947 37.689 2.154 628 HB2 GLU 74 HB2 GLU 74 3.062 38.462 1.181 629 HB3 GLU 74 HB3 GLU 74 3.319 37.930 2.841 630 HG2 GLU 74 HG2 GLU 74 4.257 35.819 2.047 631 HG3 GLU 74 HG3 GLU 74 3.951 36.287 0.374 632 H THR 75 H THR 75 2.079 34.615 0.799 633 HA THR 75 HA THR 75 1.444 35.270 -1.937 634 HB THR 75 HB THR 75 1.890 32.535 -0.660 635 HG1 THR 75 HG1 THR 75 3.953 32.956 -0.821 636 HG21 THR 75 HG21 THR 75 2.022 33.343 -3.588 637 HG22 THR 75 HG22 THR 75 0.769 32.336 -2.861 638 HG23 THR 75 HG23 THR 75 2.434 31.755 -2.938 639 H PHE 76 H PHE 76 -0.042 33.034 0.442 640 HA PHE 76 HA PHE 76 -2.483 32.829 -1.206 641 HB2 PHE 76 HB2 PHE 76 -1.610 31.120 1.165 642 HB3 PHE 76 HB3 PHE 76 -2.938 30.783 0.073 643 HD1 PHE 76 HD1 PHE 76 -2.312 30.441 -2.459 644 HD2 PHE 76 HD2 PHE 76 0.485 30.126 0.763 645 HE1 PHE 76 HE1 PHE 76 -0.827 29.079 -3.873 646 HE2 PHE 76 HE2 PHE 76 1.963 28.760 -0.656 647 HZ PHE 76 HZ PHE 76 1.308 28.236 -2.976 648 H GLY 77 H GLY 77 -1.626 32.949 2.287 649 HA2 GLY 77 HA2 GLY 77 -2.445 34.125 4.070 650 HA3 GLY 77 HA3 GLY 77 -3.191 35.235 2.938 651 H ASP 78 H ASP 78 -5.319 34.819 2.194 652 HA ASP 78 HA ASP 78 -7.111 33.759 4.160 653 HB2 ASP 78 HB2 ASP 78 -7.674 34.701 1.320 654 HB3 ASP 78 HB3 ASP 78 -8.922 34.275 2.485 655 H ARG 79 H ARG 79 -5.609 32.405 1.348 656 HA ARG 79 HA ARG 79 -7.378 30.168 1.021 657 HB2 ARG 79 HB2 ARG 79 -4.489 30.546 0.117 658 HB3 ARG 79 HB3 ARG 79 -5.502 29.180 -0.339 659 HG2 ARG 79 HG2 ARG 79 -6.057 32.087 -1.006 660 HG3 ARG 79 HG3 ARG 79 -5.391 30.883 -2.120 661 HD2 ARG 79 HD2 ARG 79 -7.437 29.580 -2.017 662 HD3 ARG 79 HD3 ARG 79 -8.105 30.637 -0.766 663 HE ARG 79 HE ARG 79 -7.449 32.079 -3.154 664 HH11 ARG 79 HH11 ARG 79 -9.921 29.968 -1.793 665 HH12 ARG 79 HH12 ARG 79 -11.197 30.636 -2.754 666 HH21 ARG 79 HH21 ARG 79 -9.125 32.939 -4.419 667 HH22 ARG 79 HH22 ARG 79 -10.740 32.323 -4.265 668 H VAL 80 H VAL 80 -4.485 30.794 2.965 669 HA VAL 80 HA VAL 80 -3.949 28.113 3.742 670 HB VAL 80 HB VAL 80 -3.286 30.614 5.365 671 HG11 VAL 80 HG11 VAL 80 -1.379 29.318 6.213 672 HG12 VAL 80 HG12 VAL 80 -1.876 27.922 5.252 673 HG13 VAL 80 HG13 VAL 80 -2.901 28.497 6.570 674 HG21 VAL 80 HG21 VAL 80 -1.132 30.719 4.146 675 HG22 VAL 80 HG22 VAL 80 -2.504 30.965 3.064 676 HG23 VAL 80 HG23 VAL 80 -1.668 29.410 3.085 677 H PHE 81 H PHE 81 -4.414 27.046 5.786 678 HA PHE 81 HA PHE 81 -7.115 27.290 6.567 679 HB2 PHE 81 HB2 PHE 81 -6.790 25.416 8.036 680 HB3 PHE 81 HB3 PHE 81 -5.913 25.126 6.547 681 HD1 PHE 81 HD1 PHE 81 -5.561 25.773 10.170 682 HD2 PHE 81 HD2 PHE 81 -3.484 24.888 6.554 683 HE1 PHE 81 HE1 PHE 81 -3.579 25.143 11.475 684 HE2 PHE 81 HE2 PHE 81 -1.504 24.251 7.866 685 HZ PHE 81 HZ PHE 81 -1.545 24.377 10.319 686 H LEU 82 H LEU 82 -4.545 29.120 7.648 687 HA LEU 82 HA LEU 82 -6.206 30.285 9.742 688 HB2 LEU 82 HB2 LEU 82 -4.561 30.226 11.478 689 HB3 LEU 82 HB3 LEU 82 -4.760 28.587 10.905 690 HG LEU 82 HG LEU 82 -2.380 30.401 10.277 691 HD11 LEU 82 HD11 LEU 82 -2.392 29.699 12.620 692 HD12 LEU 82 HD12 LEU 82 -1.082 28.916 11.743 693 HD13 LEU 82 HD13 LEU 82 -2.545 28.007 12.139 694 HD21 LEU 82 HD21 LEU 82 -2.777 28.830 8.439 695 HD22 LEU 82 HD22 LEU 82 -2.773 27.476 9.570 696 HD23 LEU 82 HD23 LEU 82 -1.305 28.423 9.318 697 H THR 83 H THR 83 -5.098 32.382 10.555 698 HA THR 83 HA THR 83 -3.932 33.818 8.257 699 HB THR 83 HB THR 83 -5.886 34.914 9.223 700 HG1 THR 83 HG1 THR 83 -4.636 36.913 10.067 701 HG21 THR 83 HG21 THR 83 -4.386 35.033 11.859 702 HG22 THR 83 HG22 THR 83 -5.774 33.996 11.524 703 HG23 THR 83 HG23 THR 83 -5.962 35.751 11.524 704 H LYS 84 H LYS 84 -2.237 35.553 8.971 705 HA LYS 84 HA LYS 84 0.024 34.152 9.974 706 HB2 LYS 84 HB2 LYS 84 0.159 36.026 8.301 707 HB3 LYS 84 HB3 LYS 84 -0.249 37.157 9.588 708 HG2 LYS 84 HG2 LYS 84 1.820 36.460 10.811 709 HG3 LYS 84 HG3 LYS 84 2.241 35.412 9.457 710 HD2 LYS 84 HD2 LYS 84 1.940 38.438 9.339 711 HD3 LYS 84 HD3 LYS 84 3.472 37.567 9.420 712 HE2 LYS 84 HE2 LYS 84 3.068 36.573 7.232 713 HE3 LYS 84 HE3 LYS 84 1.459 37.300 7.163 714 HZ1 LYS 84 HZ1 LYS 84 2.486 39.483 7.183 715 HZ2 LYS 84 HZ2 LYS 84 3.057 38.561 5.884 716 HZ3 LYS 84 HZ3 LYS 84 4.026 38.784 7.250 717 H ASP 85 H ASP 85 -2.333 36.293 11.458 718 HA ASP 85 HA ASP 85 -1.105 36.800 13.941 719 HB2 ASP 85 HB2 ASP 85 -4.068 36.219 13.567 720 HB3 ASP 85 HB3 ASP 85 -3.322 37.102 14.893 721 H GLU 86 H GLU 86 -3.314 34.182 12.971 722 HA GLU 86 HA GLU 86 -3.220 32.665 15.308 723 HB2 GLU 86 HB2 GLU 86 -3.874 31.929 12.448 724 HB3 GLU 86 HB3 GLU 86 -3.899 30.722 13.729 725 HG2 GLU 86 HG2 GLU 86 -5.574 33.240 13.639 726 HG3 GLU 86 HG3 GLU 86 -6.135 31.611 13.266 727 H LEU 87 H LEU 87 -1.062 32.704 12.520 728 HA LEU 87 HA LEU 87 0.525 30.447 13.118 729 HB2 LEU 87 HB2 LEU 87 0.743 31.482 10.952 730 HB3 LEU 87 HB3 LEU 87 1.132 33.039 11.661 731 HG LEU 87 HG LEU 87 3.285 31.952 12.553 732 HD11 LEU 87 HD11 LEU 87 2.659 29.618 12.337 733 HD12 LEU 87 HD12 LEU 87 4.124 29.965 11.423 734 HD13 LEU 87 HD13 LEU 87 2.586 29.771 10.577 735 HD21 LEU 87 HD21 LEU 87 3.278 33.542 10.677 736 HD22 LEU 87 HD22 LEU 87 3.049 32.209 9.545 737 HD23 LEU 87 HD23 LEU 87 4.524 32.308 10.503 738 H LYS 88 H LYS 88 1.094 33.926 13.910 739 HA LYS 88 HA LYS 88 3.561 33.435 15.184 740 HB2 LYS 88 HB2 LYS 88 3.404 35.840 16.011 741 HB3 LYS 88 HB3 LYS 88 3.353 35.597 14.279 742 HG2 LYS 88 HG2 LYS 88 1.789 37.284 14.697 743 HG3 LYS 88 HG3 LYS 88 0.832 35.834 14.449 744 HD2 LYS 88 HD2 LYS 88 0.242 35.665 16.707 745 HD3 LYS 88 HD3 LYS 88 1.578 36.689 17.247 746 HE2 LYS 88 HE2 LYS 88 0.500 38.633 16.364 747 HE3 LYS 88 HE3 LYS 88 -0.777 37.670 15.617 748 HZ1 LYS 88 HZ1 LYS 88 -0.276 37.851 18.544 749 HZ2 LYS 88 HZ2 LYS 88 -1.528 36.992 17.793 750 HZ3 LYS 88 HZ3 LYS 88 -1.496 38.683 17.714 751 H GLU 89 H GLU 89 0.300 33.697 16.493 752 HA GLU 89 HA GLU 89 1.185 33.553 19.262 753 HB2 GLU 89 HB2 GLU 89 -1.198 33.671 19.848 754 HB3 GLU 89 HB3 GLU 89 -0.763 34.928 18.695 755 HG2 GLU 89 HG2 GLU 89 -1.727 33.456 16.876 756 HG3 GLU 89 HG3 GLU 89 -2.324 32.387 18.144 757 H TYR 90 H TYR 90 0.118 31.293 16.799 758 HA TYR 90 HA TYR 90 -0.205 28.996 18.465 759 HB2 TYR 90 HB2 TYR 90 -0.962 28.847 16.171 760 HB3 TYR 90 HB3 TYR 90 0.616 29.299 15.540 761 HD1 TYR 90 HD1 TYR 90 -1.027 26.558 17.567 762 HD2 TYR 90 HD2 TYR 90 2.029 27.598 14.756 763 HE1 TYR 90 HE1 TYR 90 -0.423 24.182 17.338 764 HE2 TYR 90 HE2 TYR 90 2.635 25.220 14.534 765 HH TYR 90 HH TYR 90 2.428 23.125 15.977 766 H MET 91 H MET 91 2.587 30.425 16.775 767 HA MET 91 HA MET 91 4.510 28.500 17.615 768 HB2 MET 91 HB2 MET 91 4.887 31.325 16.543 769 HB3 MET 91 HB3 MET 91 6.207 30.197 16.827 770 HG2 MET 91 HG2 MET 91 5.105 28.624 15.191 771 HG3 MET 91 HG3 MET 91 3.965 29.913 14.815 772 HE1 MET 91 HE1 MET 91 5.995 32.502 14.977 773 HE2 MET 91 HE2 MET 91 4.749 32.293 13.745 774 HE3 MET 91 HE3 MET 91 6.413 32.630 13.269 775 H LYS 92 H LYS 92 3.369 31.584 18.983 776 HA LYS 92 HA LYS 92 5.153 31.768 21.162 777 HB2 LYS 92 HB2 LYS 92 2.215 32.592 21.064 778 HB3 LYS 92 HB3 LYS 92 3.295 32.962 22.402 779 HG2 LYS 92 HG2 LYS 92 3.444 34.020 19.574 780 HG3 LYS 92 HG3 LYS 92 3.041 34.915 21.029 781 HD2 LYS 92 HD2 LYS 92 5.231 35.570 20.981 782 HD3 LYS 92 HD3 LYS 92 5.567 33.987 21.679 783 HE2 LYS 92 HE2 LYS 92 5.963 33.097 19.378 784 HE3 LYS 92 HE3 LYS 92 5.688 34.716 18.727 785 HZ1 LYS 92 HZ1 LYS 92 7.574 35.503 20.033 786 HZ2 LYS 92 HZ2 LYS 92 8.036 34.266 18.978 787 HZ3 LYS 92 HZ3 LYS 92 7.839 33.940 20.623 788 H SER 93 H SER 93 1.988 30.170 20.880 789 HA SER 93 HA SER 93 1.813 29.093 23.455 790 HB2 SER 93 HB2 SER 93 -0.107 29.255 21.905 791 HB3 SER 93 HB3 SER 93 0.619 28.039 20.858 792 HG SER 93 HG SER 93 -0.687 27.751 23.296 793 H GLN 94 H GLN 94 3.472 27.875 20.581 794 HA GLN 94 HA GLN 94 4.027 25.250 21.557 795 HB2 GLN 94 HB2 GLN 94 5.424 26.859 19.374 796 HB3 GLN 94 HB3 GLN 94 5.689 25.145 19.677 797 HG2 GLN 94 HG2 GLN 94 3.125 26.438 18.695 798 HG3 GLN 94 HG3 GLN 94 4.238 25.443 17.761 799 HE21 GLN 94 HE21 GLN 94 1.717 25.442 20.172 800 HE22 GLN 94 HE22 GLN 94 1.436 23.736 20.168 801 H GLU 95 H GLU 95 5.846 28.331 21.554 802 HA GLU 95 HA GLU 95 8.254 27.081 22.617 803 HB2 GLU 95 HB2 GLU 95 9.297 29.273 22.382 804 HB3 GLU 95 HB3 GLU 95 8.415 28.877 20.914 805 HG2 GLU 95 HG2 GLU 95 6.562 30.350 21.652 806 HG3 GLU 95 HG3 GLU 95 7.486 30.772 23.091 807 H ARG 96 H ARG 96 5.480 28.681 23.967 808 HA ARG 96 HA ARG 96 6.945 29.509 26.387 809 HB2 ARG 96 HB2 ARG 96 5.177 31.012 26.876 810 HB3 ARG 96 HB3 ARG 96 5.377 31.105 25.134 811 HG2 ARG 96 HG2 ARG 96 3.409 29.443 24.992 812 HG3 ARG 96 HG3 ARG 96 3.138 29.795 26.699 813 HD2 ARG 96 HD2 ARG 96 2.998 31.738 24.363 814 HD3 ARG 96 HD3 ARG 96 1.659 31.169 25.365 815 HE ARG 96 HE ARG 96 3.627 32.505 26.930 816 HH11 ARG 96 HH11 ARG 96 0.862 33.110 24.841 817 HH12 ARG 96 HH12 ARG 96 0.661 34.741 25.385 818 HH21 ARG 96 HH21 ARG 96 3.359 34.636 27.615 819 HH22 ARG 96 HH22 ARG 96 2.088 35.608 26.958 820 H TRP 97 H TRP 97 4.212 27.400 25.408 821 HA TRP 97 HA TRP 97 3.851 26.450 28.166 822 HB2 TRP 97 HB2 TRP 97 2.348 25.623 25.644 823 HB3 TRP 97 HB3 TRP 97 1.921 25.188 27.295 824 HD1 TRP 97 HD1 TRP 97 0.737 27.386 24.749 825 HE1 TRP 97 HE1 TRP 97 -0.513 29.424 25.689 826 HE3 TRP 97 HE3 TRP 97 2.325 27.164 29.629 827 HZ2 TRP 97 HZ2 TRP 97 -0.794 30.764 28.138 828 HZ3 TRP 97 HZ3 TRP 97 1.505 28.871 31.205 829 HH2 TRP 97 HH2 TRP 97 -0.025 30.635 30.472 830 H GLY 98 H GLY 98 4.661 25.156 24.948 831 HA2 GLY 98 HA2 GLY 98 5.255 22.491 25.842 832 HA3 GLY 98 HA3 GLY 98 5.598 23.174 24.261 833 H ARG 99 H ARG 99 7.451 24.605 24.071 834 HA ARG 99 HA ARG 99 9.681 24.867 23.992 835 HB2 ARG 99 HB2 ARG 99 9.196 26.138 26.112 836 HB3 ARG 99 HB3 ARG 99 9.547 24.685 27.032 837 HG2 ARG 99 HG2 ARG 99 11.853 25.064 25.437 838 HG3 ARG 99 HG3 ARG 99 11.383 26.694 25.916 839 HD2 ARG 99 HD2 ARG 99 11.956 24.355 27.774 840 HD3 ARG 99 HD3 ARG 99 12.980 25.771 27.514 841 HE ARG 99 HE ARG 99 10.540 26.753 28.379 842 HH11 ARG 99 HH11 ARG 99 12.994 24.613 29.724 843 HH12 ARG 99 HH12 ARG 99 12.620 25.032 31.361 844 HH21 ARG 99 HH21 ARG 99 10.065 27.275 30.548 845 HH22 ARG 99 HH22 ARG 99 10.968 26.536 31.828 846 H ARG 100 H ARG 100 10.229 22.981 22.941 847 HA ARG 100 HA ARG 100 10.527 20.432 24.217 848 HB2 ARG 100 HB2 ARG 100 11.439 21.410 21.475 849 HB3 ARG 100 HB3 ARG 100 11.439 19.721 21.996 850 HG2 ARG 100 HG2 ARG 100 9.000 19.757 22.234 851 HG3 ARG 100 HG3 ARG 100 8.962 21.473 21.825 852 HD2 ARG 100 HD2 ARG 100 9.774 20.957 19.558 853 HD3 ARG 100 HD3 ARG 100 9.840 19.236 19.962 854 HE ARG 100 HE ARG 100 7.269 19.873 20.516 855 HH11 ARG 100 HH11 ARG 100 9.205 20.372 17.617 856 HH12 ARG 100 HH12 ARG 100 7.843 20.287 16.552 857 HH21 ARG 100 HH21 ARG 100 5.500 19.773 19.115 858 HH22 ARG 100 HH22 ARG 100 5.735 19.936 17.406 859 H ARG 101 H ARG 101 12.669 23.108 23.459 860 HA ARG 101 HA ARG 101 14.490 22.368 25.513 861 HB2 ARG 101 HB2 ARG 101 16.574 22.279 24.063 862 HB3 ARG 101 HB3 ARG 101 15.533 20.869 23.956 863 HG2 ARG 101 HG2 ARG 101 14.694 21.567 21.794 864 HG3 ARG 101 HG3 ARG 101 15.538 23.109 21.913 865 HD2 ARG 101 HD2 ARG 101 17.711 21.866 21.908 866 HD3 ARG 101 HD3 ARG 101 16.809 20.366 21.642 867 HE ARG 101 HE ARG 101 15.914 21.556 19.575 868 HH11 ARG 101 HH11 ARG 101 19.132 22.200 20.828 869 HH12 ARG 101 HH12 ARG 101 19.768 22.664 19.286 870 HH21 ARG 101 HH21 ARG 101 16.745 22.201 17.573 871 HH22 ARG 101 HH22 ARG 101 18.409 22.665 17.436 872 H GLU 102 H GLU 102 14.501 24.293 22.477 873 HA GLU 102 HA GLU 102 14.470 26.878 23.498 874 HB2 GLU 102 HB2 GLU 102 16.799 25.843 24.418 875 HB3 GLU 102 HB3 GLU 102 17.359 26.216 22.801 876 HG2 GLU 102 HG2 GLU 102 16.178 28.240 24.733 877 HG3 GLU 102 HG3 GLU 102 17.902 27.936 24.545 878 H SER 103 H SER 103 14.690 28.407 21.703 879 HA SER 103 HA SER 103 15.158 27.291 19.023 880 HB2 SER 103 HB2 SER 103 12.886 28.158 18.259 881 HB3 SER 103 HB3 SER 103 12.815 26.780 19.355 882 HG SER 103 HG SER 103 12.725 29.328 20.491 883 H LYS 104 H LYS 104 16.895 28.727 18.739 884 HA LYS 104 HA LYS 104 16.186 31.576 18.319 885 HB2 LYS 104 HB2 LYS 104 18.900 30.181 18.279 886 HB3 LYS 104 HB3 LYS 104 18.662 31.867 17.828 887 HG2 LYS 104 HG2 LYS 104 18.159 30.650 20.556 888 HG3 LYS 104 HG3 LYS 104 19.521 31.678 20.101 889 HD2 LYS 104 HD2 LYS 104 17.882 33.539 19.644 890 HD3 LYS 104 HD3 LYS 104 16.584 32.491 20.231 891 HE2 LYS 104 HE2 LYS 104 18.952 33.521 21.837 892 HE3 LYS 104 HE3 LYS 104 17.264 34.007 22.005 893 HZ1 LYS 104 HZ1 LYS 104 17.822 32.454 23.722 894 HZ2 LYS 104 HZ2 LYS 104 18.404 31.328 22.602 895 HZ3 LYS 104 HZ3 LYS 104 16.754 31.693 22.652 896 H LYS 105 H LYS 105 17.412 28.676 16.718 897 HA LYS 105 HA LYS 105 17.723 29.792 14.108 898 HB2 LYS 105 HB2 LYS 105 18.947 27.759 14.938 899 HB3 LYS 105 HB3 LYS 105 17.438 26.870 14.948 900 HG2 LYS 105 HG2 LYS 105 18.137 26.139 12.914 901 HG3 LYS 105 HG3 LYS 105 17.477 27.658 12.332 902 HD2 LYS 105 HD2 LYS 105 20.397 27.200 13.075 903 HD3 LYS 105 HD3 LYS 105 19.765 27.121 11.434 904 HE2 LYS 105 HE2 LYS 105 19.120 29.517 11.601 905 HE3 LYS 105 HE3 LYS 105 19.808 29.574 13.225 906 HZ1 LYS 105 HZ1 LYS 105 21.963 29.049 12.301 907 HZ2 LYS 105 HZ2 LYS 105 21.334 30.434 11.563 908 HZ3 LYS 105 HZ3 LYS 105 21.315 28.950 10.741 909 H LYS 106 H LYS 106 16.459 29.293 12.230 910 HA LYS 106 HA LYS 106 13.578 29.249 12.608 911 HB2 LYS 106 HB2 LYS 106 13.400 29.818 10.311 912 HB3 LYS 106 HB3 LYS 106 14.854 30.648 10.833 913 HG2 LYS 106 HG2 LYS 106 14.866 27.993 9.350 914 HG3 LYS 106 HG3 LYS 106 14.962 29.556 8.549 915 HD2 LYS 106 HD2 LYS 106 16.985 28.580 10.607 916 HD3 LYS 106 HD3 LYS 106 17.169 28.369 8.862 917 HE2 LYS 106 HE2 LYS 106 16.967 31.033 10.309 918 HE3 LYS 106 HE3 LYS 106 18.439 30.311 9.659 919 HZ1 LYS 106 HZ1 LYS 106 17.605 31.940 8.134 920 HZ2 LYS 106 HZ2 LYS 106 16.082 31.211 8.096 921 HZ3 LYS 106 HZ3 LYS 106 17.416 30.408 7.437 922 H LYS 107 H LYS 107 12.362 27.786 10.913 923 HA LYS 107 HA LYS 107 13.680 25.190 10.468 924 HB2 LYS 107 HB2 LYS 107 12.016 25.103 12.434 925 HB3 LYS 107 HB3 LYS 107 10.750 25.477 11.284 926 HG2 LYS 107 HG2 LYS 107 10.560 23.162 11.519 927 HG3 LYS 107 HG3 LYS 107 11.513 23.303 10.043 928 HD2 LYS 107 HD2 LYS 107 12.769 22.861 12.785 929 HD3 LYS 107 HD3 LYS 107 12.256 21.523 11.762 930 HE2 LYS 107 HE2 LYS 107 13.887 22.147 10.058 931 HE3 LYS 107 HE3 LYS 107 14.310 23.610 10.943 932 HZ1 LYS 107 HZ1 LYS 107 15.937 21.867 11.271 933 HZ2 LYS 107 HZ2 LYS 107 14.751 20.847 11.907 934 HZ3 LYS 107 HZ3 LYS 107 15.175 22.260 12.729 935 H LEU 108 H LEU 108 13.018 24.157 8.557 936 HA LEU 108 HA LEU 108 11.947 25.817 6.456 937 HB2 LEU 108 HB2 LEU 108 13.724 23.901 6.250 938 HB3 LEU 108 HB3 LEU 108 12.367 22.802 6.301 939 HG LEU 108 HG LEU 108 13.221 23.202 3.996 940 HD11 LEU 108 HD11 LEU 108 11.124 23.554 2.863 941 HD12 LEU 108 HD12 LEU 108 10.407 24.240 4.321 942 HD13 LEU 108 HD13 LEU 108 10.884 22.540 4.285 943 HD21 LEU 108 HD21 LEU 108 12.303 26.061 4.385 944 HD22 LEU 108 HD22 LEU 108 12.875 25.351 2.871 945 HD23 LEU 108 HD23 LEU 108 13.972 25.505 4.242 946 H TRP 109 H TRP 109 9.846 26.156 6.211 947 HA TRP 109 HA TRP 109 7.821 24.196 7.113 948 HB2 TRP 109 HB2 TRP 109 7.606 27.180 6.533 949 HB3 TRP 109 HB3 TRP 109 6.216 26.157 6.859 950 HD1 TRP 109 HD1 TRP 109 9.549 26.985 8.707 951 HE1 TRP 109 HE1 TRP 109 9.015 27.306 11.195 952 HE3 TRP 109 HE3 TRP 109 4.528 26.021 8.586 953 HZ2 TRP 109 HZ2 TRP 109 6.778 27.173 12.895 954 HZ3 TRP 109 HZ3 TRP 109 3.256 26.150 10.696 955 HH2 TRP 109 HH2 TRP 109 4.360 26.718 12.810 956 H MET 110 H MET 110 5.904 23.993 5.686 957 HA MET 110 HA MET 110 6.442 24.232 2.814 958 HB2 MET 110 HB2 MET 110 5.627 21.792 2.559 959 HB3 MET 110 HB3 MET 110 7.247 22.012 3.198 960 HG2 MET 110 HG2 MET 110 6.433 21.617 5.472 961 HG3 MET 110 HG3 MET 110 4.790 21.428 4.866 962 HE1 MET 110 HE1 MET 110 4.893 19.576 2.377 963 HE2 MET 110 HE2 MET 110 3.858 19.287 3.778 964 HE3 MET 110 HE3 MET 110 4.845 17.977 3.123 965 H ALA 111 H ALA 111 4.709 24.805 1.691 966 HA ALA 111 HA ALA 111 2.083 24.946 3.036 967 HB1 ALA 111 HB1 ALA 111 3.036 27.126 2.475 968 HB2 ALA 111 HB2 ALA 111 1.616 26.814 1.480 969 HB3 ALA 111 HB3 ALA 111 3.235 26.641 0.792 970 H ILE 112 H ILE 112 1.082 23.136 2.426 971 HA ILE 112 HA ILE 112 1.218 22.008 -0.249 972 HB ILE 112 HB ILE 112 -0.566 21.203 2.093 973 HG12 ILE 112 HG12 ILE 112 2.146 19.974 1.424 974 HG13 ILE 112 HG13 ILE 112 1.883 21.147 2.714 975 HG21 ILE 112 HG21 ILE 112 0.277 19.601 -0.341 976 HG22 ILE 112 HG22 ILE 112 -1.317 20.304 -0.061 977 HG23 ILE 112 HG23 ILE 112 -0.727 19.012 0.985 978 HD11 ILE 112 HD11 ILE 112 0.634 18.399 2.549 979 HD12 ILE 112 HD12 ILE 112 0.367 19.580 3.834 980 HD13 ILE 112 HD13 ILE 112 1.970 18.888 3.592 981 H GLU 113 H GLU 113 -0.172 22.757 -1.861 982 HA GLU 113 HA GLU 113 -2.479 24.387 -1.125 983 HB2 GLU 113 HB2 GLU 113 -1.135 25.044 -3.082 984 HB3 GLU 113 HB3 GLU 113 -1.473 23.511 -3.868 985 HG2 GLU 113 HG2 GLU 113 -3.847 24.095 -4.060 986 HG3 GLU 113 HG3 GLU 113 -3.568 25.594 -3.175 987 H LEU 114 H LEU 114 -4.535 23.697 -1.091 988 HA LEU 114 HA LEU 114 -5.185 20.922 -1.841 989 HB2 LEU 114 HB2 LEU 114 -5.946 22.533 0.598 990 HB3 LEU 114 HB3 LEU 114 -7.092 21.353 -0.004 991 HG LEU 114 HG LEU 114 -5.861 20.299 1.748 992 HD11 LEU 114 HD11 LEU 114 -6.342 18.867 -0.117 993 HD12 LEU 114 HD12 LEU 114 -4.802 18.416 0.591 994 HD13 LEU 114 HD13 LEU 114 -4.840 19.318 -0.922 995 HD21 LEU 114 HD21 LEU 114 -3.298 21.109 0.351 996 HD22 LEU 114 HD22 LEU 114 -3.402 20.027 1.741 997 HD23 LEU 114 HD23 LEU 114 -3.898 21.717 1.897 998 H GLU 115 H GLU 115 -6.829 20.633 -3.174 999 HA GLU 115 HA GLU 115 -8.758 22.791 -3.736 1000 HB2 GLU 115 HB2 GLU 115 -8.564 22.456 -6.128 1001 HB3 GLU 115 HB3 GLU 115 -6.951 22.791 -5.499 1002 HG2 GLU 115 HG2 GLU 115 -6.229 20.570 -5.804 1003 HG3 GLU 115 HG3 GLU 115 -7.874 19.949 -5.927 1004 H ASP 116 H ASP 116 -10.703 22.011 -4.797 1005 HA ASP 116 HA ASP 116 -12.439 20.619 -5.264 1006 HB2 ASP 116 HB2 ASP 116 -10.717 19.792 -6.902 1007 HB3 ASP 116 HB3 ASP 116 -10.207 18.590 -5.725 1008 H VAL 117 H VAL 117 -11.868 20.977 -2.577 1009 HA VAL 117 HA VAL 117 -11.400 18.627 -1.104 1010 HB VAL 117 HB VAL 117 -12.765 21.144 -0.072 1011 HG11 VAL 117 HG11 VAL 117 -12.969 19.231 1.465 1012 HG12 VAL 117 HG12 VAL 117 -11.888 20.452 2.131 1013 HG13 VAL 117 HG13 VAL 117 -11.220 18.983 1.413 1014 HG21 VAL 117 HG21 VAL 117 -10.613 21.720 -1.150 1015 HG22 VAL 117 HG22 VAL 117 -9.782 20.510 -0.172 1016 HG23 VAL 117 HG23 VAL 117 -10.514 21.918 0.602 1017 H LYS 118 H LYS 118 -12.630 16.937 -1.113 1018 HA LYS 118 HA LYS 118 -15.492 16.890 -1.454 1019 HB2 LYS 118 HB2 LYS 118 -13.387 15.095 -1.960 1020 HB3 LYS 118 HB3 LYS 118 -14.165 14.366 -0.573 1021 HG2 LYS 118 HG2 LYS 118 -15.059 13.392 -2.596 1022 HG3 LYS 118 HG3 LYS 118 -16.321 14.354 -1.819 1023 HD2 LYS 118 HD2 LYS 118 -16.325 14.712 -4.258 1024 HD3 LYS 118 HD3 LYS 118 -15.918 16.203 -3.406 1025 HE2 LYS 118 HE2 LYS 118 -13.493 15.737 -3.877 1026 HE3 LYS 118 HE3 LYS 118 -13.982 14.344 -4.846 1027 HZ1 LYS 118 HZ1 LYS 118 -15.228 15.861 -6.275 1028 HZ2 LYS 118 HZ2 LYS 118 -13.586 16.260 -6.227 1029 HZ3 LYS 118 HZ3 LYS 118 -14.703 17.183 -5.359 1030 H LYS 119 H LYS 119 -16.853 15.579 0.073 1031 HA LYS 119 HA LYS 119 -16.142 15.947 2.919 1032 HB2 LYS 119 HB2 LYS 119 -18.357 17.219 1.407 1033 HB3 LYS 119 HB3 LYS 119 -18.928 16.382 2.836 1034 HG2 LYS 119 HG2 LYS 119 -16.756 18.500 2.825 1035 HG3 LYS 119 HG3 LYS 119 -18.446 18.802 3.219 1036 HD2 LYS 119 HD2 LYS 119 -16.445 17.108 4.775 1037 HD3 LYS 119 HD3 LYS 119 -17.208 18.613 5.285 1038 HE2 LYS 119 HE2 LYS 119 -19.443 17.351 5.207 1039 HE3 LYS 119 HE3 LYS 119 -18.485 15.883 5.001 1040 HZ1 LYS 119 HZ1 LYS 119 -18.271 17.727 7.297 1041 HZ2 LYS 119 HZ2 LYS 119 -17.436 16.272 7.092 1042 HZ3 LYS 119 HZ3 LYS 119 -19.113 16.263 7.293 1043 H TYR 120 H TYR 120 -16.263 14.079 3.968 1044 HA TYR 120 HA TYR 120 -18.011 11.897 3.121 1045 HB2 TYR 120 HB2 TYR 120 -15.920 12.169 5.301 1046 HB3 TYR 120 HB3 TYR 120 -17.041 10.815 5.280 1047 HD1 TYR 120 HD1 TYR 120 -14.461 12.513 3.130 1048 HD2 TYR 120 HD2 TYR 120 -16.503 8.884 4.070 1049 HE1 TYR 120 HE1 TYR 120 -12.934 11.272 1.662 1050 HE2 TYR 120 HE2 TYR 120 -14.982 7.654 2.601 1051 HH TYR 120 HH TYR 120 -12.130 9.067 1.300 1052 H ASP 121 H ASP 121 -19.920 13.189 3.400 1053 HA ASP 121 HA ASP 121 -20.977 13.895 5.944 1054 HB2 ASP 121 HB2 ASP 121 -21.954 14.770 3.870 1055 HB3 ASP 121 HB3 ASP 121 -22.319 13.144 3.307 1056 H LYS 122 H LYS 122 -20.754 10.954 4.103 1057 HA LYS 122 HA LYS 122 -22.475 9.335 5.761 1058 HB2 LYS 122 HB2 LYS 122 -21.643 7.471 4.305 1059 HB3 LYS 122 HB3 LYS 122 -22.300 8.824 3.392 1060 HG2 LYS 122 HG2 LYS 122 -20.023 9.600 2.856 1061 HG3 LYS 122 HG3 LYS 122 -19.334 8.301 3.832 1062 HD2 LYS 122 HD2 LYS 122 -19.237 7.758 1.434 1063 HD3 LYS 122 HD3 LYS 122 -20.269 6.620 2.302 1064 HE2 LYS 122 HE2 LYS 122 -22.269 7.919 1.511 1065 HE3 LYS 122 HE3 LYS 122 -21.185 8.941 0.562 1066 HZ1 LYS 122 HZ1 LYS 122 -20.491 6.986 -0.675 1067 HZ2 LYS 122 HZ2 LYS 122 -22.167 7.191 -0.773 1068 HZ3 LYS 122 HZ3 LYS 122 -21.521 6.007 0.246 1069 HA PRO 123 HA PRO 123 -19.308 8.055 8.717 1070 HB2 PRO 123 HB2 PRO 123 -20.443 5.812 9.742 1071 HB3 PRO 123 HB3 PRO 123 -21.121 7.418 10.034 1072 HG2 PRO 123 HG2 PRO 123 -21.991 5.332 8.042 1073 HG3 PRO 123 HG3 PRO 123 -22.988 6.332 9.120 1074 HD2 PRO 123 HD2 PRO 123 -22.571 6.930 6.468 1075 HD3 PRO 123 HD3 PRO 123 -22.905 8.163 7.702 1076 H ILE 124 H ILE 124 -17.472 7.521 7.486 1077 HA ILE 124 HA ILE 124 -17.107 4.613 7.024 1078 HB ILE 124 HB ILE 124 -15.810 6.859 5.394 1079 HG12 ILE 124 HG12 ILE 124 -17.868 4.736 4.624 1080 HG13 ILE 124 HG13 ILE 124 -18.134 6.473 4.693 1081 HG21 ILE 124 HG21 ILE 124 -14.716 5.066 4.081 1082 HG22 ILE 124 HG22 ILE 124 -15.393 3.852 5.165 1083 HG23 ILE 124 HG23 ILE 124 -14.214 5.013 5.774 1084 HD11 ILE 124 HD11 ILE 124 -17.959 5.727 2.412 1085 HD12 ILE 124 HD12 ILE 124 -16.384 5.002 2.721 1086 HD13 ILE 124 HD13 ILE 124 -16.582 6.755 2.798 1087 H LYS 125 H LYS 125 -15.491 3.712 8.107 1088 HA LYS 125 HA LYS 125 -13.767 5.347 9.821 1089 HB2 LYS 125 HB2 LYS 125 -13.343 3.299 11.143 1090 HB3 LYS 125 HB3 LYS 125 -15.051 3.695 11.079 1091 HG2 LYS 125 HG2 LYS 125 -13.891 1.663 9.171 1092 HG3 LYS 125 HG3 LYS 125 -14.266 1.208 10.833 1093 HD2 LYS 125 HD2 LYS 125 -16.615 1.707 10.526 1094 HD3 LYS 125 HD3 LYS 125 -16.320 2.447 8.953 1095 HE2 LYS 125 HE2 LYS 125 -15.612 0.258 8.066 1096 HE3 LYS 125 HE3 LYS 125 -15.933 -0.482 9.637 1097 HZ1 LYS 125 HZ1 LYS 125 -17.772 -0.841 8.129 1098 HZ2 LYS 125 HZ2 LYS 125 -17.947 0.821 7.875 1099 HZ3 LYS 125 HZ3 LYS 125 -18.268 0.161 9.397 1100 HA PRO 126 HA PRO 126 -10.330 4.355 7.133 1101 HB2 PRO 126 HB2 PRO 126 -8.232 5.158 8.620 1102 HB3 PRO 126 HB3 PRO 126 -9.451 6.314 8.064 1103 HG2 PRO 126 HG2 PRO 126 -9.168 5.012 10.761 1104 HG3 PRO 126 HG3 PRO 126 -9.520 6.708 10.372 1105 HD2 PRO 126 HD2 PRO 126 -11.453 4.838 11.047 1106 HD3 PRO 126 HD3 PRO 126 -11.776 6.295 10.083 1107 H LYS 127 H LYS 127 -8.162 3.256 7.152 1108 HA LYS 127 HA LYS 127 -8.343 0.545 7.924 1109 HB2 LYS 127 HB2 LYS 127 -6.036 2.213 6.846 1110 HB3 LYS 127 HB3 LYS 127 -5.814 0.525 7.266 1111 HG2 LYS 127 HG2 LYS 127 -6.148 0.681 4.891 1112 HG3 LYS 127 HG3 LYS 127 -7.555 -0.107 5.606 1113 HD2 LYS 127 HD2 LYS 127 -8.810 2.040 5.452 1114 HD3 LYS 127 HD3 LYS 127 -7.398 2.803 4.716 1115 HE2 LYS 127 HE2 LYS 127 -7.556 1.255 2.800 1116 HE3 LYS 127 HE3 LYS 127 -8.948 0.464 3.544 1117 HZ1 LYS 127 HZ1 LYS 127 -9.655 2.027 1.881 1118 HZ2 LYS 127 HZ2 LYS 127 -8.815 3.284 2.630 1119 HZ3 LYS 127 HZ3 LYS 127 -10.143 2.580 3.401 1120 H ARG 128 H ARG 128 -6.868 3.354 9.431 1121 HA ARG 128 HA ARG 128 -6.633 2.019 11.983 1122 HB2 ARG 128 HB2 ARG 128 -4.242 2.368 12.312 1123 HB3 ARG 128 HB3 ARG 128 -4.471 1.416 10.848 1124 HG2 ARG 128 HG2 ARG 128 -4.181 3.551 9.509 1125 HG3 ARG 128 HG3 ARG 128 -3.751 4.366 11.019 1126 HD2 ARG 128 HD2 ARG 128 -1.874 2.702 11.293 1127 HD3 ARG 128 HD3 ARG 128 -2.270 2.057 9.697 1128 HE ARG 128 HE ARG 128 -0.997 4.602 10.321 1129 HH11 ARG 128 HH11 ARG 128 -2.363 2.600 7.764 1130 HH12 ARG 128 HH12 ARG 128 -1.543 3.469 6.511 1131 HH21 ARG 128 HH21 ARG 128 0.078 5.678 8.670 1132 HH22 ARG 128 HH22 ARG 128 -0.150 5.183 7.021 1133 H LEU 129 H LEU 129 -5.951 3.554 13.672 1134 HA LEU 129 HA LEU 129 -7.423 5.980 13.570 1135 HB2 LEU 129 HB2 LEU 129 -6.659 4.384 15.595 1136 HB3 LEU 129 HB3 LEU 129 -5.299 5.473 15.671 1137 HG LEU 129 HG LEU 129 -6.982 6.059 17.338 1138 HD11 LEU 129 HD11 LEU 129 -5.691 7.911 16.424 1139 HD12 LEU 129 HD12 LEU 129 -7.304 8.415 16.922 1140 HD13 LEU 129 HD13 LEU 129 -6.937 8.196 15.206 1141 HD21 LEU 129 HD21 LEU 129 -8.917 6.437 15.043 1142 HD22 LEU 129 HD22 LEU 129 -9.238 6.798 16.743 1143 HD23 LEU 129 HD23 LEU 129 -8.947 5.135 16.234 1144 H VAL 130 H VAL 130 -6.768 8.035 13.137 1145 HA VAL 130 HA VAL 130 -3.963 8.506 12.322 1146 HB VAL 130 HB VAL 130 -6.447 10.078 11.498 1147 HG11 VAL 130 HG11 VAL 130 -4.415 11.454 11.446 1148 HG12 VAL 130 HG12 VAL 130 -4.974 11.133 9.806 1149 HG13 VAL 130 HG13 VAL 130 -3.591 10.247 10.458 1150 HG21 VAL 130 HG21 VAL 130 -4.898 7.994 9.909 1151 HG22 VAL 130 HG22 VAL 130 -6.216 8.990 9.279 1152 HG23 VAL 130 HG23 VAL 130 -6.531 7.810 10.555 1153 HA PRO 131 HA PRO 131 -4.286 10.980 16.248 1154 HB2 PRO 131 HB2 PRO 131 -1.645 10.878 16.917 1155 HB3 PRO 131 HB3 PRO 131 -2.739 9.516 17.205 1156 HG2 PRO 131 HG2 PRO 131 -0.826 9.956 14.904 1157 HG3 PRO 131 HG3 PRO 131 -1.055 8.500 15.898 1158 HD2 PRO 131 HD2 PRO 131 -2.212 8.748 13.454 1159 HD3 PRO 131 HD3 PRO 131 -3.023 7.885 14.785 1160 H VAL 132 H VAL 132 -2.572 12.833 17.006 1161 HA VAL 132 HA VAL 132 -3.167 15.018 15.396 1162 HB VAL 132 HB VAL 132 -1.658 16.327 16.913 1163 HG11 VAL 132 HG11 VAL 132 -3.516 14.383 18.330 1164 HG12 VAL 132 HG12 VAL 132 -3.978 15.919 17.592 1165 HG13 VAL 132 HG13 VAL 132 -2.920 15.904 19.004 1166 HG21 VAL 132 HG21 VAL 132 -0.516 15.189 18.806 1167 HG22 VAL 132 HG22 VAL 132 0.141 14.671 17.251 1168 HG23 VAL 132 HG23 VAL 132 -0.970 13.621 18.132 1169 H GLY 133 H GLY 133 -0.246 13.058 15.410 1170 HA2 GLY 133 HA2 GLY 133 1.395 14.832 13.829 1171 HA3 GLY 133 HA3 GLY 133 1.736 13.159 14.245 1172 H GLY 134 H GLY 134 -1.061 12.540 13.078 1173 HA2 GLY 134 HA2 GLY 134 -2.138 12.210 11.067 1174 HA3 GLY 134 HA3 GLY 134 -0.895 13.138 10.249 1175 H GLN 135 H GLN 135 -2.121 10.613 9.446 1176 HA GLN 135 HA GLN 135 0.202 8.761 9.467 1177 HB2 GLN 135 HB2 GLN 135 -2.740 8.173 8.877 1178 HB3 GLN 135 HB3 GLN 135 -1.438 6.993 8.765 1179 HG2 GLN 135 HG2 GLN 135 -2.458 8.357 11.271 1180 HG3 GLN 135 HG3 GLN 135 -2.657 6.663 10.820 1181 HE21 GLN 135 HE21 GLN 135 -0.477 9.058 12.107 1182 HE22 GLN 135 HE22 GLN 135 0.750 7.963 12.613 1183 H TYR 136 H TYR 136 0.566 7.591 7.413 1184 HA TYR 136 HA TYR 136 0.018 9.228 5.031 1185 HB2 TYR 136 HB2 TYR 136 2.041 6.994 5.499 1186 HB3 TYR 136 HB3 TYR 136 1.755 7.739 3.923 1187 HD1 TYR 136 HD1 TYR 136 2.372 10.074 3.479 1188 HD2 TYR 136 HD2 TYR 136 3.201 8.242 7.267 1189 HE1 TYR 136 HE1 TYR 136 3.894 11.942 4.086 1190 HE2 TYR 136 HE2 TYR 136 4.702 10.089 7.859 1191 HH TYR 136 HH TYR 136 6.002 11.785 6.826 1192 H LEU 137 H LEU 137 -1.340 8.602 3.554 1193 HA LEU 137 HA LEU 137 -2.696 6.013 3.762 1194 HB2 LEU 137 HB2 LEU 137 -3.716 8.523 3.399 1195 HB3 LEU 137 HB3 LEU 137 -3.514 8.059 1.722 1196 HG LEU 137 HG LEU 137 -5.257 6.715 3.816 1197 HD11 LEU 137 HD11 LEU 137 -5.971 8.128 1.242 1198 HD12 LEU 137 HD12 LEU 137 -6.168 8.756 2.881 1199 HD13 LEU 137 HD13 LEU 137 -7.102 7.357 2.360 1200 HD21 LEU 137 HD21 LEU 137 -4.317 4.913 2.467 1201 HD22 LEU 137 HD22 LEU 137 -4.773 5.739 0.976 1202 HD23 LEU 137 HD23 LEU 137 -6.019 5.137 2.071 1203 H ARG 138 H ARG 138 -2.039 4.415 2.437 1204 HA ARG 138 HA ARG 138 -0.828 5.088 -0.178 1205 HB2 ARG 138 HB2 ARG 138 0.841 3.452 -0.004 1206 HB3 ARG 138 HB3 ARG 138 0.802 4.102 1.620 1207 HG2 ARG 138 HG2 ARG 138 -0.381 1.445 0.699 1208 HG3 ARG 138 HG3 ARG 138 1.110 1.685 1.611 1209 HD2 ARG 138 HD2 ARG 138 -0.094 2.538 3.537 1210 HD3 ARG 138 HD3 ARG 138 -1.624 2.477 2.657 1211 HE ARG 138 HE ARG 138 -1.269 0.006 2.560 1212 HH11 ARG 138 HH11 ARG 138 0.239 1.831 5.190 1213 HH12 ARG 138 HH12 ARG 138 0.202 0.487 6.285 1214 HH21 ARG 138 HH21 ARG 138 -1.312 -1.720 4.019 1215 HH22 ARG 138 HH22 ARG 138 -0.687 -1.516 5.623 1216 H GLU 139 H GLU 139 -1.462 3.782 -1.961 1217 HA GLU 139 HA GLU 139 -3.999 2.471 -1.775 1218 HB2 GLU 139 HB2 GLU 139 -3.027 3.592 -3.834 1219 HB3 GLU 139 HB3 GLU 139 -1.933 2.238 -4.016 1220 HG2 GLU 139 HG2 GLU 139 -4.943 1.901 -4.030 1221 HG3 GLU 139 HG3 GLU 139 -4.049 2.316 -5.486 Start of MODEL 10 1 H MET 1 H MET 1 -0.425 0.934 -0.614 2 HA MET 1 HA MET 1 1.888 -0.894 -0.607 3 HB2 MET 1 HB2 MET 1 -0.289 -1.525 -1.976 4 HB3 MET 1 HB3 MET 1 0.214 -0.237 -3.047 5 HG2 MET 1 HG2 MET 1 1.955 -2.629 -2.395 6 HG3 MET 1 HG3 MET 1 0.843 -2.581 -3.757 7 HE1 MET 1 HE1 MET 1 1.112 0.302 -4.983 8 HE2 MET 1 HE2 MET 1 1.208 -1.179 -5.939 9 HE3 MET 1 HE3 MET 1 2.445 0.070 -6.107 10 H SER 2 H SER 2 3.454 -0.130 -2.340 11 HA SER 2 HA SER 2 4.628 2.219 -1.528 12 HB2 SER 2 HB2 SER 2 5.071 0.774 -4.167 13 HB3 SER 2 HB3 SER 2 6.229 1.842 -3.362 14 HG SER 2 HG SER 2 5.674 0.111 -1.548 15 H LYS 3 H LYS 3 2.172 1.945 -4.022 16 HA LYS 3 HA LYS 3 2.814 4.192 -5.617 17 HB2 LYS 3 HB2 LYS 3 0.406 4.177 -6.327 18 HB3 LYS 3 HB3 LYS 3 1.203 2.613 -6.476 19 HG2 LYS 3 HG2 LYS 3 0.045 1.737 -4.588 20 HG3 LYS 3 HG3 LYS 3 -0.505 3.335 -4.082 21 HD2 LYS 3 HD2 LYS 3 -1.367 2.103 -6.730 22 HD3 LYS 3 HD3 LYS 3 -2.230 1.789 -5.221 23 HE2 LYS 3 HE2 LYS 3 -3.372 3.585 -6.327 24 HE3 LYS 3 HE3 LYS 3 -2.514 4.272 -4.959 25 HZ1 LYS 3 HZ1 LYS 3 -2.376 5.616 -6.980 26 HZ2 LYS 3 HZ2 LYS 3 -1.531 4.374 -7.747 27 HZ3 LYS 3 HZ3 LYS 3 -0.861 5.147 -6.403 28 H ILE 4 H ILE 4 1.592 4.085 -2.408 29 HA ILE 4 HA ILE 4 0.777 5.565 -0.912 30 HB ILE 4 HB ILE 4 1.775 7.784 -2.782 31 HG12 ILE 4 HG12 ILE 4 3.616 6.191 -2.348 32 HG13 ILE 4 HG13 ILE 4 3.930 7.712 -1.526 33 HG21 ILE 4 HG21 ILE 4 1.334 7.851 0.235 34 HG22 ILE 4 HG22 ILE 4 0.414 8.738 -0.981 35 HG23 ILE 4 HG23 ILE 4 2.106 9.141 -0.702 36 HD11 ILE 4 HD11 ILE 4 2.914 5.174 -0.249 37 HD12 ILE 4 HD12 ILE 4 3.214 6.698 0.594 38 HD13 ILE 4 HD13 ILE 4 4.550 5.822 -0.151 39 H VAL 5 H VAL 5 -0.962 7.627 -0.895 40 HA VAL 5 HA VAL 5 -2.190 8.149 -3.478 41 HB VAL 5 HB VAL 5 -4.567 8.271 -2.382 42 HG11 VAL 5 HG11 VAL 5 -3.466 5.511 -3.033 43 HG12 VAL 5 HG12 VAL 5 -4.038 6.697 -4.209 44 HG13 VAL 5 HG13 VAL 5 -5.170 5.988 -3.056 45 HG21 VAL 5 HG21 VAL 5 -5.064 6.631 -0.612 46 HG22 VAL 5 HG22 VAL 5 -3.897 7.831 -0.053 47 HG23 VAL 5 HG23 VAL 5 -3.351 6.217 -0.506 48 H GLY 6 H GLY 6 -2.041 8.826 0.002 49 HA2 GLY 6 HA2 GLY 6 -1.426 11.589 -0.376 50 HA3 GLY 6 HA3 GLY 6 -3.088 11.343 0.157 51 H VAL 7 H VAL 7 -2.368 12.607 1.981 52 HA VAL 7 HA VAL 7 -1.416 10.849 4.154 53 HB VAL 7 HB VAL 7 0.400 12.481 3.622 54 HG11 VAL 7 HG11 VAL 7 -1.564 14.674 4.380 55 HG12 VAL 7 HG12 VAL 7 -0.914 14.371 2.767 56 HG13 VAL 7 HG13 VAL 7 0.161 14.892 4.065 57 HG21 VAL 7 HG21 VAL 7 -0.890 12.971 6.336 58 HG22 VAL 7 HG22 VAL 7 0.797 13.292 5.928 59 HG23 VAL 7 HG23 VAL 7 0.190 11.636 5.923 60 H THR 8 H THR 8 -2.645 10.948 5.990 61 HA THR 8 HA THR 8 -5.056 12.647 5.959 62 HB THR 8 HB THR 8 -5.703 10.326 5.890 63 HG1 THR 8 HG1 THR 8 -6.826 11.772 7.393 64 HG21 THR 8 HG21 THR 8 -5.072 8.665 7.608 65 HG22 THR 8 HG22 THR 8 -3.978 9.839 8.347 66 HG23 THR 8 HG23 THR 8 -3.661 9.242 6.716 67 H TYR 9 H TYR 9 -5.371 14.077 7.566 68 HA TYR 9 HA TYR 9 -3.638 14.004 9.958 69 HB2 TYR 9 HB2 TYR 9 -3.966 16.232 7.982 70 HB3 TYR 9 HB3 TYR 9 -4.008 16.716 9.671 71 HD1 TYR 9 HD1 TYR 9 -2.047 16.322 11.141 72 HD2 TYR 9 HD2 TYR 9 -1.860 15.529 6.947 73 HE1 TYR 9 HE1 TYR 9 0.400 16.285 11.262 74 HE2 TYR 9 HE2 TYR 9 0.594 15.490 7.071 75 HH TYR 9 HH TYR 9 2.283 15.193 9.907 76 HA PRO 10 HA PRO 10 -7.479 14.335 12.184 77 HB2 PRO 10 HB2 PRO 10 -6.558 15.030 14.637 78 HB3 PRO 10 HB3 PRO 10 -6.237 13.435 13.939 79 HG2 PRO 10 HG2 PRO 10 -4.447 15.877 13.950 80 HG3 PRO 10 HG3 PRO 10 -4.053 14.212 14.429 81 HD2 PRO 10 HD2 PRO 10 -3.428 15.158 11.986 82 HD3 PRO 10 HD3 PRO 10 -3.936 13.469 12.220 83 H ILE 11 H ILE 11 -5.375 17.007 11.721 84 HA ILE 11 HA ILE 11 -5.389 19.223 11.960 85 HB ILE 11 HB ILE 11 -8.400 19.076 11.525 86 HG12 ILE 11 HG12 ILE 11 -7.232 17.770 9.766 87 HG13 ILE 11 HG13 ILE 11 -7.954 19.228 9.100 88 HG21 ILE 11 HG21 ILE 11 -7.619 21.306 12.205 89 HG22 ILE 11 HG22 ILE 11 -8.129 21.326 10.517 90 HG23 ILE 11 HG23 ILE 11 -6.410 21.298 10.917 91 HD11 ILE 11 HD11 ILE 11 -5.781 18.795 8.129 92 HD12 ILE 11 HD12 ILE 11 -5.026 18.821 9.721 93 HD13 ILE 11 HD13 ILE 11 -5.742 20.294 9.058 94 HA PRO 12 HA PRO 12 -6.533 19.259 16.452 95 HB2 PRO 12 HB2 PRO 12 -4.305 20.503 17.377 96 HB3 PRO 12 HB3 PRO 12 -4.291 18.794 16.915 97 HG2 PRO 12 HG2 PRO 12 -3.388 21.196 15.319 98 HG3 PRO 12 HG3 PRO 12 -2.559 19.644 15.558 99 HD2 PRO 12 HD2 PRO 12 -4.013 20.205 13.306 100 HD3 PRO 12 HD3 PRO 12 -3.848 18.559 13.954 101 H LYS 13 H LYS 13 -6.980 21.419 14.202 102 HA LYS 13 HA LYS 13 -7.531 23.731 15.962 103 HB2 LYS 13 HB2 LYS 13 -6.625 23.780 13.042 104 HB3 LYS 13 HB3 LYS 13 -7.137 25.197 13.959 105 HG2 LYS 13 HG2 LYS 13 -4.735 23.458 14.625 106 HG3 LYS 13 HG3 LYS 13 -4.670 25.000 13.766 107 HD2 LYS 13 HD2 LYS 13 -5.489 26.186 15.744 108 HD3 LYS 13 HD3 LYS 13 -5.736 24.664 16.606 109 HE2 LYS 13 HE2 LYS 13 -3.318 24.258 16.633 110 HE3 LYS 13 HE3 LYS 13 -3.035 25.713 15.673 111 HZ1 LYS 13 HZ1 LYS 13 -3.898 27.046 17.468 112 HZ2 LYS 13 HZ2 LYS 13 -2.636 26.072 18.038 113 HZ3 LYS 13 HZ3 LYS 13 -4.241 25.668 18.383 114 H ARG 14 H ARG 14 -9.410 24.898 15.493 115 HA ARG 14 HA ARG 14 -11.691 23.494 14.512 116 HB2 ARG 14 HB2 ARG 14 -11.982 24.997 16.328 117 HB3 ARG 14 HB3 ARG 14 -11.162 26.310 15.509 118 HG2 ARG 14 HG2 ARG 14 -13.728 25.388 14.271 119 HG3 ARG 14 HG3 ARG 14 -13.859 26.165 15.849 120 HD2 ARG 14 HD2 ARG 14 -12.610 28.124 14.965 121 HD3 ARG 14 HD3 ARG 14 -12.562 27.364 13.372 122 HE ARG 14 HE ARG 14 -15.126 27.416 13.600 123 HH11 ARG 14 HH11 ARG 14 -13.031 29.907 14.969 124 HH12 ARG 14 HH12 ARG 14 -14.205 31.162 14.753 125 HH21 ARG 14 HH21 ARG 14 -16.639 29.097 13.318 126 HH22 ARG 14 HH22 ARG 14 -16.238 30.707 13.824 127 H PHE 15 H PHE 15 -9.289 25.190 12.905 128 HA PHE 15 HA PHE 15 -10.795 26.278 10.696 129 HB2 PHE 15 HB2 PHE 15 -7.793 25.925 11.074 130 HB3 PHE 15 HB3 PHE 15 -8.568 26.929 9.851 131 HD1 PHE 15 HD1 PHE 15 -10.037 28.896 10.666 132 HD2 PHE 15 HD2 PHE 15 -7.284 26.847 13.218 133 HE1 PHE 15 HE1 PHE 15 -10.072 30.791 12.233 134 HE2 PHE 15 HE2 PHE 15 -7.329 28.746 14.782 135 HZ PHE 15 HZ PHE 15 -8.723 30.717 14.292 136 H MET 16 H MET 16 -10.642 23.225 11.309 137 HA MET 16 HA MET 16 -9.722 21.884 8.994 138 HB2 MET 16 HB2 MET 16 -10.412 20.739 11.101 139 HB3 MET 16 HB3 MET 16 -12.073 21.248 10.842 140 HG2 MET 16 HG2 MET 16 -12.069 19.884 8.721 141 HG3 MET 16 HG3 MET 16 -10.489 19.256 9.197 142 HE1 MET 16 HE1 MET 16 -10.863 19.038 12.405 143 HE2 MET 16 HE2 MET 16 -10.130 17.748 11.452 144 HE3 MET 16 HE3 MET 16 -11.442 17.380 12.571 145 H ASP 17 H ASP 17 -12.745 23.521 9.819 146 HA ASP 17 HA ASP 17 -14.326 22.711 7.620 147 HB2 ASP 17 HB2 ASP 17 -14.587 25.129 9.445 148 HB3 ASP 17 HB3 ASP 17 -15.824 24.632 8.293 149 H ARG 18 H ARG 18 -11.852 25.110 7.806 150 HA ARG 18 HA ARG 18 -12.400 27.057 5.928 151 HB2 ARG 18 HB2 ARG 18 -9.856 25.584 6.686 152 HB3 ARG 18 HB3 ARG 18 -9.807 26.836 5.448 153 HG2 ARG 18 HG2 ARG 18 -10.927 27.368 8.219 154 HG3 ARG 18 HG3 ARG 18 -9.206 27.531 7.839 155 HD2 ARG 18 HD2 ARG 18 -11.478 29.016 6.475 156 HD3 ARG 18 HD3 ARG 18 -10.344 29.701 7.652 157 HE ARG 18 HE ARG 18 -9.318 28.520 5.155 158 HH11 ARG 18 HH11 ARG 18 -9.726 31.433 7.088 159 HH12 ARG 18 HH12 ARG 18 -8.681 32.369 6.068 160 HH21 ARG 18 HH21 ARG 18 -7.990 29.739 3.876 161 HH22 ARG 18 HH22 ARG 18 -7.711 31.413 4.245 162 H PHE 19 H PHE 19 -11.040 23.866 5.285 163 HA PHE 19 HA PHE 19 -10.640 24.235 2.484 164 HB2 PHE 19 HB2 PHE 19 -10.791 21.636 4.078 165 HB3 PHE 19 HB3 PHE 19 -10.066 21.831 2.489 166 HD1 PHE 19 HD1 PHE 19 -9.676 22.708 6.093 167 HD2 PHE 19 HD2 PHE 19 -7.786 22.538 2.261 168 HE1 PHE 19 HE1 PHE 19 -7.494 23.121 7.145 169 HE2 PHE 19 HE2 PHE 19 -5.607 22.942 3.324 170 HZ PHE 19 HZ PHE 19 -5.460 23.241 5.761 171 H PHE 20 H PHE 20 -13.265 22.995 4.462 172 HA PHE 20 HA PHE 20 -14.793 21.832 2.258 173 HB2 PHE 20 HB2 PHE 20 -15.585 22.307 5.167 174 HB3 PHE 20 HB3 PHE 20 -16.440 21.293 4.010 175 HD1 PHE 20 HD1 PHE 20 -14.862 19.438 2.861 176 HD2 PHE 20 HD2 PHE 20 -14.179 21.182 6.697 177 HE1 PHE 20 HE1 PHE 20 -13.533 17.487 3.516 178 HE2 PHE 20 HE2 PHE 20 -12.840 19.223 7.335 179 HZ PHE 20 HZ PHE 20 -12.520 17.374 5.748 180 H LYS 21 H LYS 21 -14.486 24.837 3.904 181 HA LYS 21 HA LYS 21 -17.084 25.951 3.587 182 HB2 LYS 21 HB2 LYS 21 -15.336 26.619 5.291 183 HB3 LYS 21 HB3 LYS 21 -14.407 27.367 4.005 184 HG2 LYS 21 HG2 LYS 21 -17.228 28.266 4.616 185 HG3 LYS 21 HG3 LYS 21 -15.868 28.835 5.583 186 HD2 LYS 21 HD2 LYS 21 -14.809 29.757 3.507 187 HD3 LYS 21 HD3 LYS 21 -16.229 29.247 2.581 188 HE2 LYS 21 HE2 LYS 21 -17.649 30.709 4.024 189 HE3 LYS 21 HE3 LYS 21 -16.195 31.258 4.859 190 HZ1 LYS 21 HZ1 LYS 21 -16.956 32.790 3.132 191 HZ2 LYS 21 HZ2 LYS 21 -16.716 31.600 1.956 192 HZ3 LYS 21 HZ3 LYS 21 -15.400 32.210 2.824 193 H LYS 22 H LYS 22 -14.012 26.315 1.827 194 HA LYS 22 HA LYS 22 -15.388 27.851 -0.320 195 HB2 LYS 22 HB2 LYS 22 -13.094 28.670 -0.873 196 HB3 LYS 22 HB3 LYS 22 -13.611 29.074 0.762 197 HG2 LYS 22 HG2 LYS 22 -12.309 26.967 1.508 198 HG3 LYS 22 HG3 LYS 22 -11.591 26.987 -0.103 199 HD2 LYS 22 HD2 LYS 22 -10.107 28.086 1.467 200 HD3 LYS 22 HD3 LYS 22 -10.740 29.290 0.337 201 HE2 LYS 22 HE2 LYS 22 -12.397 29.976 2.075 202 HE3 LYS 22 HE3 LYS 22 -11.686 28.795 3.183 203 HZ1 LYS 22 HZ1 LYS 22 -10.267 31.103 1.975 204 HZ2 LYS 22 HZ2 LYS 22 -9.585 29.957 3.013 205 HZ3 LYS 22 HZ3 LYS 22 -10.805 30.985 3.575 206 H GLY 23 H GLY 23 -13.874 24.817 0.304 207 HA2 GLY 23 HA2 GLY 23 -13.861 22.929 -1.036 208 HA3 GLY 23 HA3 GLY 23 -14.380 23.893 -2.408 209 H LYS 24 H LYS 24 -11.831 25.594 -1.350 210 HA LYS 24 HA LYS 24 -9.601 23.923 -2.065 211 HB2 LYS 24 HB2 LYS 24 -8.786 25.360 -3.934 212 HB3 LYS 24 HB3 LYS 24 -10.265 24.501 -4.331 213 HG2 LYS 24 HG2 LYS 24 -11.588 26.505 -4.143 214 HG3 LYS 24 HG3 LYS 24 -10.245 27.406 -3.444 215 HD2 LYS 24 HD2 LYS 24 -10.427 26.370 -6.303 216 HD3 LYS 24 HD3 LYS 24 -10.581 28.052 -5.786 217 HE2 LYS 24 HE2 LYS 24 -8.086 26.326 -5.596 218 HE3 LYS 24 HE3 LYS 24 -8.357 27.660 -6.716 219 HZ1 LYS 24 HZ1 LYS 24 -6.987 28.390 -4.905 220 HZ2 LYS 24 HZ2 LYS 24 -8.106 27.853 -3.756 221 HZ3 LYS 24 HZ3 LYS 24 -8.494 29.155 -4.770 222 H ASP 25 H ASP 25 -8.178 24.426 -0.553 223 HA ASP 25 HA ASP 25 -7.776 27.192 0.400 224 HB2 ASP 25 HB2 ASP 25 -9.533 25.983 1.779 225 HB3 ASP 25 HB3 ASP 25 -8.332 24.783 2.202 226 H VAL 26 H VAL 26 -5.767 26.701 2.318 227 HA VAL 26 HA VAL 26 -3.786 24.908 1.029 228 HB VAL 26 HB VAL 26 -3.307 27.831 1.797 229 HG11 VAL 26 HG11 VAL 26 -1.179 25.785 1.034 230 HG12 VAL 26 HG12 VAL 26 -1.369 26.555 2.610 231 HG13 VAL 26 HG13 VAL 26 -0.911 27.523 1.210 232 HG21 VAL 26 HG21 VAL 26 -2.592 28.119 -0.552 233 HG22 VAL 26 HG22 VAL 26 -4.256 27.535 -0.452 234 HG23 VAL 26 HG23 VAL 26 -2.955 26.419 -0.872 235 H PHE 27 H PHE 27 -2.958 23.544 2.494 236 HA PHE 27 HA PHE 27 -3.077 24.129 5.384 237 HB2 PHE 27 HB2 PHE 27 -3.956 21.918 4.669 238 HB3 PHE 27 HB3 PHE 27 -2.423 21.537 3.899 239 HD1 PHE 27 HD1 PHE 27 -4.049 22.136 7.199 240 HD2 PHE 27 HD2 PHE 27 -0.619 20.578 5.174 241 HE1 PHE 27 HE1 PHE 27 -3.252 21.140 9.301 242 HE2 PHE 27 HE2 PHE 27 0.166 19.579 7.277 243 HZ PHE 27 HZ PHE 27 -1.146 19.858 9.344 244 H VAL 28 H VAL 28 -1.288 25.146 6.186 245 HA VAL 28 HA VAL 28 1.365 24.613 5.059 246 HB VAL 28 HB VAL 28 2.194 26.271 6.789 247 HG11 VAL 28 HG11 VAL 28 0.065 27.251 4.845 248 HG12 VAL 28 HG12 VAL 28 1.777 26.976 4.489 249 HG13 VAL 28 HG13 VAL 28 1.303 28.263 5.600 250 HG21 VAL 28 HG21 VAL 28 0.529 27.712 7.939 251 HG22 VAL 28 HG22 VAL 28 0.399 26.032 8.460 252 HG23 VAL 28 HG23 VAL 28 -0.785 26.694 7.324 253 H LYS 29 H LYS 29 3.063 23.795 6.262 254 HA LYS 29 HA LYS 29 2.442 22.049 8.538 255 HB2 LYS 29 HB2 LYS 29 2.156 20.738 6.440 256 HB3 LYS 29 HB3 LYS 29 3.766 21.193 5.915 257 HG2 LYS 29 HG2 LYS 29 4.059 19.014 6.676 258 HG3 LYS 29 HG3 LYS 29 4.604 19.969 8.050 259 HD2 LYS 29 HD2 LYS 29 1.778 18.849 7.862 260 HD3 LYS 29 HD3 LYS 29 3.114 17.911 8.523 261 HE2 LYS 29 HE2 LYS 29 3.445 19.671 10.264 262 HE3 LYS 29 HE3 LYS 29 2.056 20.542 9.615 263 HZ1 LYS 29 HZ1 LYS 29 1.981 17.797 10.729 264 HZ2 LYS 29 HZ2 LYS 29 0.656 18.688 10.172 265 HZ3 LYS 29 HZ3 LYS 29 1.500 19.197 11.544 266 HA PRO 30 HA PRO 30 6.563 23.883 9.631 267 HB2 PRO 30 HB2 PRO 30 6.478 23.165 12.273 268 HB3 PRO 30 HB3 PRO 30 5.636 24.586 11.644 269 HG2 PRO 30 HG2 PRO 30 4.544 21.815 12.175 270 HG3 PRO 30 HG3 PRO 30 3.865 23.388 12.655 271 HD2 PRO 30 HD2 PRO 30 2.940 22.084 10.486 272 HD3 PRO 30 HD3 PRO 30 3.081 23.854 10.492 273 H ALA 31 H ALA 31 6.973 21.878 8.114 274 HA ALA 31 HA ALA 31 8.184 20.052 7.559 275 HB1 ALA 31 HB1 ALA 31 9.942 21.626 8.260 276 HB2 ALA 31 HB2 ALA 31 10.421 19.955 8.543 277 HB3 ALA 31 HB3 ALA 31 9.896 20.963 9.894 278 H THR 32 H THR 32 6.461 18.531 8.212 279 HA THR 32 HA THR 32 7.381 16.694 10.362 280 HB THR 32 HB THR 32 4.473 17.165 9.566 281 HG1 THR 32 HG1 THR 32 6.090 18.414 11.395 282 HG21 THR 32 HG21 THR 32 4.851 14.853 10.348 283 HG22 THR 32 HG22 THR 32 3.916 15.771 11.527 284 HG23 THR 32 HG23 THR 32 5.630 15.467 11.814 285 H VAL 33 H VAL 33 5.236 16.836 7.517 286 HA VAL 33 HA VAL 33 5.575 14.124 6.787 287 HB VAL 33 HB VAL 33 4.542 14.825 4.577 288 HG11 VAL 33 HG11 VAL 33 3.045 15.666 7.091 289 HG12 VAL 33 HG12 VAL 33 3.136 14.033 6.430 290 HG13 VAL 33 HG13 VAL 33 2.307 15.301 5.528 291 HG21 VAL 33 HG21 VAL 33 5.377 17.130 4.448 292 HG22 VAL 33 HG22 VAL 33 4.448 17.572 5.881 293 HG23 VAL 33 HG23 VAL 33 3.612 17.121 4.393 294 H TRP 34 H TRP 34 6.941 13.144 5.476 295 HA TRP 34 HA TRP 34 9.437 14.474 4.772 296 HB2 TRP 34 HB2 TRP 34 9.188 12.292 6.126 297 HB3 TRP 34 HB3 TRP 34 8.746 11.507 4.620 298 HD1 TRP 34 HD1 TRP 34 11.697 13.997 5.190 299 HE1 TRP 34 HE1 TRP 34 13.883 12.792 4.582 300 HE3 TRP 34 HE3 TRP 34 9.820 9.334 4.197 301 HZ2 TRP 34 HZ2 TRP 34 14.714 10.236 3.781 302 HZ3 TRP 34 HZ3 TRP 34 11.389 7.561 3.513 303 HH2 TRP 34 HH2 TRP 34 13.786 8.007 3.311 304 H LYS 35 H LYS 35 10.016 12.450 2.610 305 HA LYS 35 HA LYS 35 9.487 14.301 0.507 306 HB2 LYS 35 HB2 LYS 35 10.895 12.764 -0.861 307 HB3 LYS 35 HB3 LYS 35 11.642 13.199 0.671 308 HG2 LYS 35 HG2 LYS 35 11.070 11.027 1.621 309 HG3 LYS 35 HG3 LYS 35 10.178 10.591 0.167 310 HD2 LYS 35 HD2 LYS 35 12.387 9.502 0.235 311 HD3 LYS 35 HD3 LYS 35 12.253 10.594 -1.147 312 HE2 LYS 35 HE2 LYS 35 13.571 12.291 0.044 313 HE3 LYS 35 HE3 LYS 35 13.638 11.263 1.478 314 HZ1 LYS 35 HZ1 LYS 35 14.813 10.619 -1.167 315 HZ2 LYS 35 HZ2 LYS 35 14.876 9.637 0.205 316 HZ3 LYS 35 HZ3 LYS 35 15.665 11.133 0.199 317 H GLU 36 H GLU 36 7.471 11.873 1.600 318 HA GLU 36 HA GLU 36 6.465 10.706 -0.812 319 HB2 GLU 36 HB2 GLU 36 5.145 11.071 1.914 320 HB3 GLU 36 HB3 GLU 36 4.428 10.134 0.606 321 HG2 GLU 36 HG2 GLU 36 5.479 8.693 2.274 322 HG3 GLU 36 HG3 GLU 36 6.264 8.532 0.709 323 H LEU 37 H LEU 37 5.866 13.705 0.871 324 HA LEU 37 HA LEU 37 3.443 14.463 -0.390 325 HB2 LEU 37 HB2 LEU 37 5.339 15.681 1.487 326 HB3 LEU 37 HB3 LEU 37 4.803 16.863 0.319 327 HG LEU 37 HG LEU 37 3.439 16.881 2.384 328 HD11 LEU 37 HD11 LEU 37 1.878 16.037 -0.073 329 HD12 LEU 37 HD12 LEU 37 2.481 17.663 0.276 330 HD13 LEU 37 HD13 LEU 37 1.255 16.940 1.313 331 HD21 LEU 37 HD21 LEU 37 2.527 14.104 1.559 332 HD22 LEU 37 HD22 LEU 37 1.923 15.055 2.922 333 HD23 LEU 37 HD23 LEU 37 3.586 14.479 2.920 334 H LYS 38 H LYS 38 3.115 14.973 -2.399 335 HA LYS 38 HA LYS 38 5.018 16.493 -4.007 336 HB2 LYS 38 HB2 LYS 38 4.924 14.912 -5.893 337 HB3 LYS 38 HB3 LYS 38 5.601 14.145 -4.474 338 HG2 LYS 38 HG2 LYS 38 4.237 12.457 -5.247 339 HG3 LYS 38 HG3 LYS 38 3.131 13.249 -4.121 340 HD2 LYS 38 HD2 LYS 38 1.930 12.762 -6.152 341 HD3 LYS 38 HD3 LYS 38 2.156 14.504 -6.072 342 HE2 LYS 38 HE2 LYS 38 2.555 13.750 -8.338 343 HE3 LYS 38 HE3 LYS 38 4.087 14.274 -7.634 344 HZ1 LYS 38 HZ1 LYS 38 4.641 11.963 -7.204 345 HZ2 LYS 38 HZ2 LYS 38 4.334 12.204 -8.850 346 HZ3 LYS 38 HZ3 LYS 38 3.170 11.458 -7.872 347 HA PRO 39 HA PRO 39 1.201 18.396 -5.407 348 HB2 PRO 39 HB2 PRO 39 1.851 19.352 -7.885 349 HB3 PRO 39 HB3 PRO 39 2.524 20.047 -6.404 350 HG2 PRO 39 HG2 PRO 39 3.771 18.076 -8.314 351 HG3 PRO 39 HG3 PRO 39 4.501 19.498 -7.542 352 HD2 PRO 39 HD2 PRO 39 4.865 16.938 -6.613 353 HD3 PRO 39 HD3 PRO 39 4.902 18.370 -5.549 354 H GLY 40 H GLY 40 -0.036 16.433 -5.439 355 HA2 GLY 40 HA2 GLY 40 -1.682 15.773 -7.388 356 HA3 GLY 40 HA3 GLY 40 -0.260 14.901 -7.955 357 H MET 41 H MET 41 -1.385 15.395 -4.637 358 HA MET 41 HA MET 41 -1.877 12.483 -4.296 359 HB2 MET 41 HB2 MET 41 -0.789 14.505 -2.279 360 HB3 MET 41 HB3 MET 41 -1.214 12.844 -1.885 361 HG2 MET 41 HG2 MET 41 0.589 11.992 -3.210 362 HG3 MET 41 HG3 MET 41 0.902 13.579 -3.915 363 HE1 MET 41 HE1 MET 41 1.194 11.356 -0.655 364 HE2 MET 41 HE2 MET 41 0.184 12.686 -0.081 365 HE3 MET 41 HE3 MET 41 1.839 12.523 0.502 366 H LYS 42 H LYS 42 -3.185 12.422 -1.967 367 HA LYS 42 HA LYS 42 -5.340 14.446 -2.015 368 HB2 LYS 42 HB2 LYS 42 -6.768 12.678 -0.874 369 HB3 LYS 42 HB3 LYS 42 -6.467 12.451 -2.588 370 HG2 LYS 42 HG2 LYS 42 -4.908 10.678 -2.150 371 HG3 LYS 42 HG3 LYS 42 -4.924 11.013 -0.420 372 HD2 LYS 42 HD2 LYS 42 -6.296 9.007 -1.057 373 HD3 LYS 42 HD3 LYS 42 -7.232 10.254 -0.228 374 HE2 LYS 42 HE2 LYS 42 -8.140 11.030 -2.374 375 HE3 LYS 42 HE3 LYS 42 -7.159 9.856 -3.244 376 HZ1 LYS 42 HZ1 LYS 42 -9.391 9.284 -1.364 377 HZ2 LYS 42 HZ2 LYS 42 -8.403 8.100 -2.053 378 HZ3 LYS 42 HZ3 LYS 42 -9.386 9.055 -3.041 379 H PHE 43 H PHE 43 -6.325 14.838 0.104 380 HA PHE 43 HA PHE 43 -4.564 14.346 2.424 381 HB2 PHE 43 HB2 PHE 43 -4.217 16.664 1.359 382 HB3 PHE 43 HB3 PHE 43 -5.849 17.052 1.861 383 HD1 PHE 43 HD1 PHE 43 -6.362 16.931 4.411 384 HD2 PHE 43 HD2 PHE 43 -2.397 17.008 2.820 385 HE1 PHE 43 HE1 PHE 43 -5.503 17.716 6.573 386 HE2 PHE 43 HE2 PHE 43 -1.550 17.795 4.985 387 HZ PHE 43 HZ PHE 43 -3.099 18.150 6.860 388 H VAL 44 H VAL 44 -5.951 12.924 3.390 389 HA VAL 44 HA VAL 44 -8.812 13.429 3.472 390 HB VAL 44 HB VAL 44 -7.164 11.130 4.602 391 HG11 VAL 44 HG11 VAL 44 -10.193 11.437 4.495 392 HG12 VAL 44 HG12 VAL 44 -9.202 11.420 5.957 393 HG13 VAL 44 HG13 VAL 44 -9.332 9.968 4.965 394 HG21 VAL 44 HG21 VAL 44 -8.178 9.850 2.717 395 HG22 VAL 44 HG22 VAL 44 -7.199 11.197 2.140 396 HG23 VAL 44 HG23 VAL 44 -8.960 11.324 2.143 397 H PHE 45 H PHE 45 -9.716 14.614 4.946 398 HA PHE 45 HA PHE 45 -8.345 15.475 7.336 399 HB2 PHE 45 HB2 PHE 45 -11.128 16.108 6.256 400 HB3 PHE 45 HB3 PHE 45 -10.412 16.859 7.685 401 HD1 PHE 45 HD1 PHE 45 -8.433 18.332 7.469 402 HD2 PHE 45 HD2 PHE 45 -10.397 16.770 4.015 403 HE1 PHE 45 HE1 PHE 45 -7.266 19.963 6.060 404 HE2 PHE 45 HE2 PHE 45 -9.232 18.407 2.626 405 HZ PHE 45 HZ PHE 45 -7.665 19.997 3.635 406 H TYR 46 H TYR 46 -8.105 13.804 8.648 407 HA TYR 46 HA TYR 46 -10.204 12.126 9.680 408 HB2 TYR 46 HB2 TYR 46 -7.799 11.463 9.608 409 HB3 TYR 46 HB3 TYR 46 -7.396 12.775 10.699 410 HD1 TYR 46 HD1 TYR 46 -8.907 9.420 10.440 411 HD2 TYR 46 HD2 TYR 46 -7.816 12.555 13.118 412 HE1 TYR 46 HE1 TYR 46 -9.121 7.883 12.341 413 HE2 TYR 46 HE2 TYR 46 -8.032 11.014 15.016 414 HH TYR 46 HH TYR 46 -9.376 8.847 15.471 415 H GLN 47 H GLN 47 -10.782 12.247 12.068 416 HA GLN 47 HA GLN 47 -10.797 14.984 13.153 417 HB2 GLN 47 HB2 GLN 47 -12.944 14.325 11.790 418 HB3 GLN 47 HB3 GLN 47 -13.327 13.301 13.167 419 HG2 GLN 47 HG2 GLN 47 -13.407 15.227 14.637 420 HG3 GLN 47 HG3 GLN 47 -12.842 16.287 13.345 421 HE21 GLN 47 HE21 GLN 47 -14.606 17.627 13.268 422 HE22 GLN 47 HE22 GLN 47 -16.187 17.114 12.808 423 H SER 48 H SER 48 -9.609 14.645 14.934 424 HA SER 48 HA SER 48 -9.785 12.162 16.482 425 HB2 SER 48 HB2 SER 48 -7.730 13.057 17.606 426 HB3 SER 48 HB3 SER 48 -7.554 12.971 15.853 427 HG SER 48 HG SER 48 -8.121 15.276 17.413 428 H HIS 49 H HIS 49 -12.125 13.309 16.865 429 HA HIS 49 HA HIS 49 -12.160 13.985 19.664 430 HB2 HIS 49 HB2 HIS 49 -11.653 16.245 18.594 431 HB3 HIS 49 HB3 HIS 49 -13.199 16.139 17.760 432 HD1 HIS 49 HD1 HIS 49 -14.707 17.782 18.915 433 HD2 HIS 49 HD2 HIS 49 -12.426 15.612 21.629 434 HE1 HIS 49 HE1 HIS 49 -15.449 18.551 21.191 435 HE2 HIS 49 HE2 HIS 49 -14.144 17.138 22.810 436 H GLU 50 H GLU 50 -13.613 12.501 20.164 437 HA GLU 50 HA GLU 50 -15.590 11.510 20.577 438 HB2 GLU 50 HB2 GLU 50 -16.818 13.728 18.899 439 HB3 GLU 50 HB3 GLU 50 -17.738 12.586 19.878 440 HG2 GLU 50 HG2 GLU 50 -16.677 13.454 21.919 441 HG3 GLU 50 HG3 GLU 50 -15.699 14.563 20.961 442 H ASP 51 H ASP 51 -16.163 12.611 17.224 443 HA ASP 51 HA ASP 51 -16.990 10.118 16.163 444 HB2 ASP 51 HB2 ASP 51 -17.452 12.356 15.100 445 HB3 ASP 51 HB3 ASP 51 -15.745 12.507 14.707 446 H THR 52 H THR 52 -15.824 8.560 14.966 447 HA THR 52 HA THR 52 -13.294 7.834 15.892 448 HB THR 52 HB THR 52 -13.290 6.154 13.988 449 HG1 THR 52 HG1 THR 52 -15.734 7.483 13.319 450 HG21 THR 52 HG21 THR 52 -14.429 5.583 16.110 451 HG22 THR 52 HG22 THR 52 -15.286 4.902 14.725 452 HG23 THR 52 HG23 THR 52 -15.911 6.345 15.529 453 H GLY 53 H GLY 53 -14.199 9.399 12.830 454 HA2 GLY 53 HA2 GLY 53 -12.371 11.164 12.292 455 HA3 GLY 53 HA3 GLY 53 -11.365 9.735 12.074 456 H PHE 54 H PHE 54 -11.207 10.864 9.924 457 HA PHE 54 HA PHE 54 -11.620 11.161 7.738 458 HB2 PHE 54 HB2 PHE 54 -12.914 8.452 8.195 459 HB3 PHE 54 HB3 PHE 54 -12.916 9.196 6.602 460 HD1 PHE 54 HD1 PHE 54 -10.024 9.501 8.942 461 HD2 PHE 54 HD2 PHE 54 -11.592 7.457 5.523 462 HE1 PHE 54 HE1 PHE 54 -7.801 8.552 8.484 463 HE2 PHE 54 HE2 PHE 54 -9.360 6.519 5.073 464 HZ PHE 54 HZ PHE 54 -7.464 7.061 6.548 465 H VAL 55 H VAL 55 -12.866 13.016 8.603 466 HA VAL 55 HA VAL 55 -15.765 12.949 8.297 467 HB VAL 55 HB VAL 55 -14.613 14.181 10.169 468 HG11 VAL 55 HG11 VAL 55 -13.741 16.148 8.025 469 HG12 VAL 55 HG12 VAL 55 -12.686 15.094 8.967 470 HG13 VAL 55 HG13 VAL 55 -13.579 16.386 9.769 471 HG21 VAL 55 HG21 VAL 55 -16.081 16.165 10.135 472 HG22 VAL 55 HG22 VAL 55 -16.938 14.712 9.616 473 HG23 VAL 55 HG23 VAL 55 -16.406 15.899 8.420 474 H GLY 56 H GLY 56 -12.984 13.623 6.400 475 HA2 GLY 56 HA2 GLY 56 -14.450 13.835 3.991 476 HA3 GLY 56 HA3 GLY 56 -13.922 15.446 4.477 477 H GLU 57 H GLU 57 -12.853 15.057 2.275 478 HA GLU 57 HA GLU 57 -10.033 14.564 2.808 479 HB2 GLU 57 HB2 GLU 57 -9.618 13.175 0.895 480 HB3 GLU 57 HB3 GLU 57 -10.904 12.404 1.814 481 HG2 GLU 57 HG2 GLU 57 -12.563 13.042 0.210 482 HG3 GLU 57 HG3 GLU 57 -11.459 14.154 -0.596 483 H ALA 58 H ALA 58 -8.792 15.166 0.698 484 HA ALA 58 HA ALA 58 -9.990 17.087 -1.100 485 HB1 ALA 58 HB1 ALA 58 -9.526 18.548 0.800 486 HB2 ALA 58 HB2 ALA 58 -8.408 18.919 -0.515 487 HB3 ALA 58 HB3 ALA 58 -7.860 17.973 0.874 488 H ARG 59 H ARG 59 -7.708 18.169 -2.222 489 HA ARG 59 HA ARG 59 -6.018 15.855 -2.957 490 HB2 ARG 59 HB2 ARG 59 -7.339 17.817 -4.882 491 HB3 ARG 59 HB3 ARG 59 -6.144 16.602 -5.350 492 HG2 ARG 59 HG2 ARG 59 -8.857 16.020 -4.110 493 HG3 ARG 59 HG3 ARG 59 -8.471 15.882 -5.827 494 HD2 ARG 59 HD2 ARG 59 -7.053 14.011 -5.469 495 HD3 ARG 59 HD3 ARG 59 -6.927 14.321 -3.740 496 HE ARG 59 HE ARG 59 -9.153 13.522 -3.440 497 HH11 ARG 59 HH11 ARG 59 -7.894 12.910 -6.685 498 HH12 ARG 59 HH12 ARG 59 -9.011 11.624 -6.996 499 HH21 ARG 59 HH21 ARG 59 -10.572 11.844 -3.845 500 HH22 ARG 59 HH22 ARG 59 -10.540 11.008 -5.366 501 H ILE 60 H ILE 60 -3.989 16.266 -2.624 502 HA ILE 60 HA ILE 60 -2.939 18.831 -1.942 503 HB ILE 60 HB ILE 60 -1.766 16.058 -2.222 504 HG12 ILE 60 HG12 ILE 60 -1.833 17.860 0.228 505 HG13 ILE 60 HG13 ILE 60 -3.169 16.801 -0.182 506 HG21 ILE 60 HG21 ILE 60 0.427 16.879 -1.398 507 HG22 ILE 60 HG22 ILE 60 -0.130 18.540 -1.609 508 HG23 ILE 60 HG23 ILE 60 0.040 17.482 -3.010 509 HD11 ILE 60 HD11 ILE 60 -0.345 15.919 0.406 510 HD12 ILE 60 HD12 ILE 60 -1.712 14.862 0.036 511 HD13 ILE 60 HD13 ILE 60 -1.719 15.836 1.507 512 H LYS 61 H LYS 61 -1.778 20.183 -3.064 513 HA LYS 61 HA LYS 61 -0.983 19.742 -5.863 514 HB2 LYS 61 HB2 LYS 61 -2.441 22.195 -4.767 515 HB3 LYS 61 HB3 LYS 61 -1.916 21.977 -6.428 516 HG2 LYS 61 HG2 LYS 61 -4.039 20.349 -5.009 517 HG3 LYS 61 HG3 LYS 61 -4.332 21.662 -6.151 518 HD2 LYS 61 HD2 LYS 61 -2.894 19.058 -6.829 519 HD3 LYS 61 HD3 LYS 61 -4.601 19.382 -7.145 520 HE2 LYS 61 HE2 LYS 61 -3.843 21.366 -8.554 521 HE3 LYS 61 HE3 LYS 61 -2.198 20.742 -8.396 522 HZ1 LYS 61 HZ1 LYS 61 -3.180 19.978 -10.425 523 HZ2 LYS 61 HZ2 LYS 61 -4.520 19.356 -9.604 524 HZ3 LYS 61 HZ3 LYS 61 -2.997 18.654 -9.385 525 H ARG 62 H ARG 62 0.137 22.062 -6.427 526 HA ARG 62 HA ARG 62 2.684 22.010 -5.858 527 HB2 ARG 62 HB2 ARG 62 2.788 24.522 -6.269 528 HB3 ARG 62 HB3 ARG 62 1.856 23.597 -7.443 529 HG2 ARG 62 HG2 ARG 62 -0.234 24.289 -6.389 530 HG3 ARG 62 HG3 ARG 62 0.651 25.140 -5.124 531 HD2 ARG 62 HD2 ARG 62 1.498 26.749 -6.756 532 HD3 ARG 62 HD3 ARG 62 0.735 25.855 -8.079 533 HE ARG 62 HE ARG 62 -1.337 26.389 -6.410 534 HH11 ARG 62 HH11 ARG 62 1.046 28.514 -7.873 535 HH12 ARG 62 HH12 ARG 62 -0.060 29.836 -8.020 536 HH21 ARG 62 HH21 ARG 62 -2.732 28.100 -6.560 537 HH22 ARG 62 HH22 ARG 62 -2.217 29.601 -7.253 538 H VAL 63 H VAL 63 3.901 21.847 -4.118 539 HA VAL 63 HA VAL 63 3.140 23.131 -1.586 540 HB VAL 63 HB VAL 63 4.806 21.642 -0.498 541 HG11 VAL 63 HG11 VAL 63 2.474 20.872 -0.699 542 HG12 VAL 63 HG12 VAL 63 3.585 19.506 -0.797 543 HG13 VAL 63 HG13 VAL 63 2.830 20.135 -2.264 544 HG21 VAL 63 HG21 VAL 63 5.264 20.453 -3.269 545 HG22 VAL 63 HG22 VAL 63 5.902 19.800 -1.756 546 HG23 VAL 63 HG23 VAL 63 6.434 21.379 -2.331 547 H VAL 64 H VAL 64 4.000 25.061 -1.123 548 HA VAL 64 HA VAL 64 6.431 26.029 -2.445 549 HB VAL 64 HB VAL 64 4.494 27.448 -0.557 550 HG11 VAL 64 HG11 VAL 64 6.719 28.492 -0.415 551 HG12 VAL 64 HG12 VAL 64 5.599 29.557 -1.267 552 HG13 VAL 64 HG13 VAL 64 6.791 28.627 -2.176 553 HG21 VAL 64 HG21 VAL 64 3.678 28.609 -2.589 554 HG22 VAL 64 HG22 VAL 64 3.428 26.863 -2.687 555 HG23 VAL 64 HG23 VAL 64 4.750 27.617 -3.582 556 H LEU 65 H LEU 65 8.259 25.347 -1.518 557 HA LEU 65 HA LEU 65 8.510 24.914 1.352 558 HB2 LEU 65 HB2 LEU 65 10.625 24.660 -0.842 559 HB3 LEU 65 HB3 LEU 65 10.759 24.069 0.807 560 HG LEU 65 HG LEU 65 8.853 22.993 -1.318 561 HD11 LEU 65 HD11 LEU 65 11.374 21.739 -0.184 562 HD12 LEU 65 HD12 LEU 65 11.166 22.394 -1.810 563 HD13 LEU 65 HD13 LEU 65 10.251 20.973 -1.314 564 HD21 LEU 65 HD21 LEU 65 9.315 22.003 1.518 565 HD22 LEU 65 HD22 LEU 65 8.349 21.184 0.285 566 HD23 LEU 65 HD23 LEU 65 7.850 22.761 0.888 567 H SER 66 H SER 66 9.006 26.599 2.621 568 HA SER 66 HA SER 66 11.025 28.572 1.868 569 HB2 SER 66 HB2 SER 66 8.225 29.428 2.734 570 HB3 SER 66 HB3 SER 66 9.585 30.500 2.474 571 HG SER 66 HG SER 66 9.471 29.309 0.244 572 H GLU 67 H GLU 67 12.177 29.244 3.584 573 HA GLU 67 HA GLU 67 12.081 27.891 6.069 574 HB2 GLU 67 HB2 GLU 67 13.599 30.351 5.156 575 HB3 GLU 67 HB3 GLU 67 13.918 29.509 6.665 576 HG2 GLU 67 HG2 GLU 67 14.845 27.657 5.605 577 HG3 GLU 67 HG3 GLU 67 14.051 27.984 4.080 578 H ASN 68 H ASN 68 11.003 31.126 5.066 579 HA ASN 68 HA ASN 68 10.020 31.759 7.755 580 HB2 ASN 68 HB2 ASN 68 9.696 33.344 5.181 581 HB3 ASN 68 HB3 ASN 68 9.229 33.893 6.780 582 HD21 ASN 68 HD21 ASN 68 11.057 35.138 4.913 583 HD22 ASN 68 HD22 ASN 68 12.577 35.256 5.725 584 HA PRO 69 HA PRO 69 6.013 29.813 6.713 585 HB2 PRO 69 HB2 PRO 69 4.712 30.643 9.011 586 HB3 PRO 69 HB3 PRO 69 5.759 29.224 8.936 587 HG2 PRO 69 HG2 PRO 69 6.420 32.010 9.882 588 HG3 PRO 69 HG3 PRO 69 6.819 30.451 10.638 589 HD2 PRO 69 HD2 PRO 69 8.645 31.796 9.192 590 HD3 PRO 69 HD3 PRO 69 8.557 30.016 9.123 591 H MET 70 H MET 70 6.816 33.102 7.333 592 HA MET 70 HA MET 70 4.220 34.293 7.044 593 HB2 MET 70 HB2 MET 70 7.004 35.528 7.007 594 HB3 MET 70 HB3 MET 70 5.496 36.424 7.152 595 HG2 MET 70 HG2 MET 70 5.078 35.565 9.330 596 HG3 MET 70 HG3 MET 70 6.309 34.311 9.161 597 HE1 MET 70 HE1 MET 70 8.950 34.791 9.237 598 HE2 MET 70 HE2 MET 70 9.626 36.418 9.335 599 HE3 MET 70 HE3 MET 70 8.761 35.909 7.886 600 H GLN 71 H GLN 71 6.717 33.256 4.874 601 HA GLN 71 HA GLN 71 6.223 34.843 2.603 602 HB2 GLN 71 HB2 GLN 71 7.130 31.940 2.768 603 HB3 GLN 71 HB3 GLN 71 7.128 32.884 1.278 604 HG2 GLN 71 HG2 GLN 71 8.756 33.466 3.757 605 HG3 GLN 71 HG3 GLN 71 9.361 32.743 2.274 606 HE21 GLN 71 HE21 GLN 71 7.886 34.568 0.494 607 HE22 GLN 71 HE22 GLN 71 8.662 36.104 0.630 608 H PHE 72 H PHE 72 4.521 32.129 3.974 609 HA PHE 72 HA PHE 72 2.890 31.537 1.672 610 HB2 PHE 72 HB2 PHE 72 2.347 30.671 4.542 611 HB3 PHE 72 HB3 PHE 72 1.841 29.869 3.055 612 HD1 PHE 72 HD1 PHE 72 4.543 29.988 1.583 613 HD2 PHE 72 HD2 PHE 72 3.499 28.883 5.580 614 HE1 PHE 72 HE1 PHE 72 6.533 28.554 1.718 615 HE2 PHE 72 HE2 PHE 72 5.476 27.442 5.686 616 HZ PHE 72 HZ PHE 72 6.991 27.272 3.761 617 H PHE 73 H PHE 73 2.677 33.676 4.427 618 HA PHE 73 HA PHE 73 -0.213 34.087 4.151 619 HB2 PHE 73 HB2 PHE 73 1.787 35.222 6.153 620 HB3 PHE 73 HB3 PHE 73 0.046 35.494 6.202 621 HD1 PHE 73 HD1 PHE 73 -1.458 33.304 6.227 622 HD2 PHE 73 HD2 PHE 73 2.658 33.397 7.373 623 HE1 PHE 73 HE1 PHE 73 -1.744 31.217 7.475 624 HE2 PHE 73 HE2 PHE 73 2.348 31.298 8.605 625 HZ PHE 73 HZ PHE 73 0.150 30.200 8.651 626 H GLU 74 H GLU 74 2.761 35.657 3.200 627 HA GLU 74 HA GLU 74 1.416 38.132 2.431 628 HB2 GLU 74 HB2 GLU 74 3.585 38.823 1.491 629 HB3 GLU 74 HB3 GLU 74 3.780 38.235 3.140 630 HG2 GLU 74 HG2 GLU 74 4.546 36.045 2.214 631 HG3 GLU 74 HG3 GLU 74 4.463 36.736 0.589 632 H THR 75 H THR 75 2.470 35.097 0.932 633 HA THR 75 HA THR 75 1.860 35.926 -1.772 634 HB THR 75 HB THR 75 2.573 33.192 -0.622 635 HG1 THR 75 HG1 THR 75 4.043 35.300 -1.021 636 HG21 THR 75 HG21 THR 75 2.391 34.006 -3.557 637 HG22 THR 75 HG22 THR 75 1.310 32.874 -2.738 638 HG23 THR 75 HG23 THR 75 3.013 32.469 -2.949 639 H PHE 76 H PHE 76 0.473 33.428 0.418 640 HA PHE 76 HA PHE 76 -1.944 33.205 -1.241 641 HB2 PHE 76 HB2 PHE 76 -0.966 31.543 1.123 642 HB3 PHE 76 HB3 PHE 76 -2.426 31.211 0.209 643 HD1 PHE 76 HD1 PHE 76 -2.241 30.543 -2.217 644 HD2 PHE 76 HD2 PHE 76 1.162 30.779 0.360 645 HE1 PHE 76 HE1 PHE 76 -0.963 29.127 -3.769 646 HE2 PHE 76 HE2 PHE 76 2.436 29.369 -1.199 647 HZ PHE 76 HZ PHE 76 1.374 28.537 -3.265 648 H GLY 77 H GLY 77 -1.302 33.268 2.300 649 HA2 GLY 77 HA2 GLY 77 -2.209 34.467 4.031 650 HA3 GLY 77 HA3 GLY 77 -2.879 35.588 2.860 651 H ASP 78 H ASP 78 -4.968 35.239 2.036 652 HA ASP 78 HA ASP 78 -6.854 34.038 3.862 653 HB2 ASP 78 HB2 ASP 78 -7.244 35.420 1.175 654 HB3 ASP 78 HB3 ASP 78 -8.581 34.826 2.155 655 H ARG 79 H ARG 79 -5.118 32.814 1.204 656 HA ARG 79 HA ARG 79 -6.917 30.649 0.532 657 HB2 ARG 79 HB2 ARG 79 -3.911 30.838 0.083 658 HB3 ARG 79 HB3 ARG 79 -4.996 29.689 -0.684 659 HG2 ARG 79 HG2 ARG 79 -5.164 32.692 -1.071 660 HG3 ARG 79 HG3 ARG 79 -4.254 31.612 -2.131 661 HD2 ARG 79 HD2 ARG 79 -6.350 30.400 -2.671 662 HD3 ARG 79 HD3 ARG 79 -7.247 31.507 -1.627 663 HE ARG 79 HE ARG 79 -7.069 33.173 -3.219 664 HH11 ARG 79 HH11 ARG 79 -5.063 30.456 -4.226 665 HH12 ARG 79 HH12 ARG 79 -4.900 31.031 -5.851 666 HH21 ARG 79 HH21 ARG 79 -6.839 33.917 -5.359 667 HH22 ARG 79 HH22 ARG 79 -5.898 33.002 -6.493 668 H VAL 80 H VAL 80 -4.262 31.172 2.819 669 HA VAL 80 HA VAL 80 -3.922 28.403 3.562 670 HB VAL 80 HB VAL 80 -2.974 30.876 5.080 671 HG11 VAL 80 HG11 VAL 80 -1.244 29.411 6.012 672 HG12 VAL 80 HG12 VAL 80 -1.902 28.036 5.118 673 HG13 VAL 80 HG13 VAL 80 -2.857 28.799 6.392 674 HG21 VAL 80 HG21 VAL 80 -1.486 29.387 2.884 675 HG22 VAL 80 HG22 VAL 80 -0.823 30.685 3.881 676 HG23 VAL 80 HG23 VAL 80 -2.153 31.019 2.770 677 H PHE 81 H PHE 81 -4.664 27.350 5.442 678 HA PHE 81 HA PHE 81 -7.299 27.848 6.157 679 HB2 PHE 81 HB2 PHE 81 -7.192 25.914 7.557 680 HB3 PHE 81 HB3 PHE 81 -6.144 25.623 6.183 681 HD1 PHE 81 HD1 PHE 81 -3.663 25.546 6.475 682 HD2 PHE 81 HD2 PHE 81 -6.297 25.932 9.822 683 HE1 PHE 81 HE1 PHE 81 -1.863 24.823 7.992 684 HE2 PHE 81 HE2 PHE 81 -4.489 25.222 11.330 685 HZ PHE 81 HZ PHE 81 -2.269 24.667 10.416 686 H LEU 82 H LEU 82 -4.497 29.092 7.617 687 HA LEU 82 HA LEU 82 -6.110 30.514 9.624 688 HB2 LEU 82 HB2 LEU 82 -4.583 30.105 11.363 689 HB3 LEU 82 HB3 LEU 82 -4.755 28.547 10.602 690 HG LEU 82 HG LEU 82 -2.357 30.414 10.293 691 HD11 LEU 82 HD11 LEU 82 -2.578 27.797 11.815 692 HD12 LEU 82 HD12 LEU 82 -2.469 29.410 12.524 693 HD13 LEU 82 HD13 LEU 82 -1.115 28.765 11.604 694 HD21 LEU 82 HD21 LEU 82 -1.246 28.594 9.128 695 HD22 LEU 82 HD22 LEU 82 -2.694 29.092 8.260 696 HD23 LEU 82 HD23 LEU 82 -2.708 27.607 9.215 697 H THR 83 H THR 83 -4.833 32.541 10.379 698 HA THR 83 HA THR 83 -3.234 33.591 8.104 699 HB THR 83 HB THR 83 -5.370 34.840 8.650 700 HG1 THR 83 HG1 THR 83 -4.009 36.944 8.872 701 HG21 THR 83 HG21 THR 83 -5.368 36.392 10.552 702 HG22 THR 83 HG22 THR 83 -3.837 35.727 11.112 703 HG23 THR 83 HG23 THR 83 -5.281 34.723 11.120 704 H LYS 84 H LYS 84 -1.825 35.603 9.166 705 HA LYS 84 HA LYS 84 0.351 34.242 10.351 706 HB2 LYS 84 HB2 LYS 84 0.472 36.257 8.820 707 HB3 LYS 84 HB3 LYS 84 -0.047 37.249 10.178 708 HG2 LYS 84 HG2 LYS 84 1.992 36.487 11.434 709 HG3 LYS 84 HG3 LYS 84 2.516 35.636 9.982 710 HD2 LYS 84 HD2 LYS 84 2.094 38.636 10.268 711 HD3 LYS 84 HD3 LYS 84 3.650 37.805 10.178 712 HE2 LYS 84 HE2 LYS 84 3.149 37.092 7.875 713 HE3 LYS 84 HE3 LYS 84 1.566 37.871 7.965 714 HZ1 LYS 84 HZ1 LYS 84 2.654 39.999 8.208 715 HZ2 LYS 84 HZ2 LYS 84 3.197 39.226 6.804 716 HZ3 LYS 84 HZ3 LYS 84 4.175 39.265 8.181 717 H ASP 85 H ASP 85 -2.265 36.089 11.728 718 HA ASP 85 HA ASP 85 -1.198 36.384 14.386 719 HB2 ASP 85 HB2 ASP 85 -3.042 37.795 13.407 720 HB3 ASP 85 HB3 ASP 85 -4.102 36.408 13.530 721 H GLU 86 H GLU 86 -3.306 33.895 12.838 722 HA GLU 86 HA GLU 86 -3.376 32.266 15.208 723 HB2 GLU 86 HB2 GLU 86 -3.961 31.583 12.316 724 HB3 GLU 86 HB3 GLU 86 -4.045 30.398 13.607 725 HG2 GLU 86 HG2 GLU 86 -6.251 31.023 13.315 726 HG3 GLU 86 HG3 GLU 86 -5.757 31.959 14.719 727 H LEU 87 H LEU 87 -1.097 32.704 12.616 728 HA LEU 87 HA LEU 87 0.483 30.356 12.972 729 HB2 LEU 87 HB2 LEU 87 0.732 31.715 10.954 730 HB3 LEU 87 HB3 LEU 87 1.182 33.117 11.908 731 HG LEU 87 HG LEU 87 3.241 31.758 12.669 732 HD11 LEU 87 HD11 LEU 87 2.493 30.027 10.302 733 HD12 LEU 87 HD12 LEU 87 2.500 29.542 12.001 734 HD13 LEU 87 HD13 LEU 87 4.010 29.969 11.203 735 HD21 LEU 87 HD21 LEU 87 4.557 32.402 10.724 736 HD22 LEU 87 HD22 LEU 87 3.394 33.661 11.128 737 HD23 LEU 87 HD23 LEU 87 3.094 32.589 9.759 738 H LYS 88 H LYS 88 0.728 33.680 14.271 739 HA LYS 88 HA LYS 88 3.127 33.232 15.697 740 HB2 LYS 88 HB2 LYS 88 2.656 35.413 16.846 741 HB3 LYS 88 HB3 LYS 88 2.618 35.487 15.096 742 HG2 LYS 88 HG2 LYS 88 0.755 36.769 15.557 743 HG3 LYS 88 HG3 LYS 88 0.032 35.191 15.437 744 HD2 LYS 88 HD2 LYS 88 -0.901 36.390 17.332 745 HD3 LYS 88 HD3 LYS 88 -0.016 34.966 17.880 746 HE2 LYS 88 HE2 LYS 88 0.459 36.853 19.317 747 HE3 LYS 88 HE3 LYS 88 1.906 36.404 18.422 748 HZ1 LYS 88 HZ1 LYS 88 1.421 38.233 16.877 749 HZ2 LYS 88 HZ2 LYS 88 1.666 38.784 18.457 750 HZ3 LYS 88 HZ3 LYS 88 0.100 38.684 17.832 751 H GLU 89 H GLU 89 -0.312 33.054 16.737 752 HA GLU 89 HA GLU 89 0.285 32.472 19.462 753 HB2 GLU 89 HB2 GLU 89 -1.985 31.641 19.712 754 HB3 GLU 89 HB3 GLU 89 -2.013 33.109 18.741 755 HG2 GLU 89 HG2 GLU 89 -2.426 31.885 16.734 756 HG3 GLU 89 HG3 GLU 89 -2.060 30.349 17.504 757 H TYR 90 H TYR 90 -0.011 30.437 16.572 758 HA TYR 90 HA TYR 90 -0.025 27.890 17.801 759 HB2 TYR 90 HB2 TYR 90 -0.791 28.138 15.515 760 HB3 TYR 90 HB3 TYR 90 0.751 28.802 14.998 761 HD1 TYR 90 HD1 TYR 90 -0.764 25.669 16.395 762 HD2 TYR 90 HD2 TYR 90 2.344 27.374 14.008 763 HE1 TYR 90 HE1 TYR 90 -0.015 23.414 15.777 764 HE2 TYR 90 HE2 TYR 90 3.108 25.106 13.387 765 HH TYR 90 HH TYR 90 2.931 22.732 14.488 766 H MET 91 H MET 91 2.660 29.786 16.401 767 HA MET 91 HA MET 91 4.702 27.834 16.812 768 HB2 MET 91 HB2 MET 91 4.981 30.841 16.393 769 HB3 MET 91 HB3 MET 91 6.297 29.677 16.290 770 HG2 MET 91 HG2 MET 91 5.177 28.620 14.358 771 HG3 MET 91 HG3 MET 91 3.907 29.841 14.442 772 HE1 MET 91 HE1 MET 91 5.855 32.437 15.277 773 HE2 MET 91 HE2 MET 91 4.481 32.536 14.173 774 HE3 MET 91 HE3 MET 91 6.064 33.124 13.665 775 H LYS 92 H LYS 92 3.668 30.730 18.580 776 HA LYS 92 HA LYS 92 5.726 30.570 20.552 777 HB2 LYS 92 HB2 LYS 92 3.134 32.159 20.585 778 HB3 LYS 92 HB3 LYS 92 4.447 32.352 21.741 779 HG2 LYS 92 HG2 LYS 92 4.632 32.877 18.757 780 HG3 LYS 92 HG3 LYS 92 4.426 34.113 19.997 781 HD2 LYS 92 HD2 LYS 92 6.822 32.252 19.770 782 HD3 LYS 92 HD3 LYS 92 6.765 33.906 19.159 783 HE2 LYS 92 HE2 LYS 92 6.473 33.092 22.068 784 HE3 LYS 92 HE3 LYS 92 7.922 33.766 21.324 785 HZ1 LYS 92 HZ1 LYS 92 5.312 35.175 21.481 786 HZ2 LYS 92 HZ2 LYS 92 6.773 35.806 20.906 787 HZ3 LYS 92 HZ3 LYS 92 6.608 35.416 22.543 788 H SER 93 H SER 93 2.492 29.157 20.263 789 HA SER 93 HA SER 93 2.100 28.424 22.977 790 HB2 SER 93 HB2 SER 93 1.063 27.159 20.414 791 HB3 SER 93 HB3 SER 93 0.625 26.544 22.012 792 HG SER 93 HG SER 93 0.313 29.280 21.520 793 H GLN 94 H GLN 94 4.004 27.007 20.393 794 HA GLN 94 HA GLN 94 4.500 24.468 21.583 795 HB2 GLN 94 HB2 GLN 94 6.318 25.851 19.566 796 HB3 GLN 94 HB3 GLN 94 6.152 24.120 19.848 797 HG2 GLN 94 HG2 GLN 94 4.120 25.969 18.566 798 HG3 GLN 94 HG3 GLN 94 5.080 24.737 17.759 799 HE21 GLN 94 HE21 GLN 94 2.156 25.131 17.923 800 HE22 GLN 94 HE22 GLN 94 1.515 23.644 18.525 801 H GLU 95 H GLU 95 5.877 27.611 22.119 802 HA GLU 95 HA GLU 95 8.185 26.463 23.568 803 HB2 GLU 95 HB2 GLU 95 9.358 28.590 23.070 804 HB3 GLU 95 HB3 GLU 95 8.916 27.694 21.634 805 HG2 GLU 95 HG2 GLU 95 8.336 29.774 20.918 806 HG3 GLU 95 HG3 GLU 95 6.813 29.336 21.673 807 H ARG 96 H ARG 96 5.298 28.363 23.989 808 HA ARG 96 HA ARG 96 6.239 29.494 26.546 809 HB2 ARG 96 HB2 ARG 96 4.211 30.777 26.659 810 HB3 ARG 96 HB3 ARG 96 4.816 30.909 25.014 811 HG2 ARG 96 HG2 ARG 96 3.118 29.176 24.332 812 HG3 ARG 96 HG3 ARG 96 2.470 29.229 25.974 813 HD2 ARG 96 HD2 ARG 96 2.601 31.579 24.039 814 HD3 ARG 96 HD3 ARG 96 1.160 30.623 24.400 815 HE ARG 96 HE ARG 96 1.661 31.418 26.822 816 HH11 ARG 96 HH11 ARG 96 2.129 33.418 23.964 817 HH12 ARG 96 HH12 ARG 96 1.758 34.893 24.796 818 HH21 ARG 96 HH21 ARG 96 1.217 33.353 27.903 819 HH22 ARG 96 HH22 ARG 96 1.233 34.853 27.036 820 H TRP 97 H TRP 97 4.147 26.970 25.302 821 HA TRP 97 HA TRP 97 3.669 25.967 28.039 822 HB2 TRP 97 HB2 TRP 97 2.527 24.935 25.399 823 HB3 TRP 97 HB3 TRP 97 2.048 24.428 27.019 824 HD1 TRP 97 HD1 TRP 97 0.957 26.684 24.339 825 HE1 TRP 97 HE1 TRP 97 -0.725 28.418 25.200 826 HE3 TRP 97 HE3 TRP 97 1.652 26.098 29.394 827 HZ2 TRP 97 HZ2 TRP 97 -1.646 29.415 27.653 828 HZ3 TRP 97 HZ3 TRP 97 0.313 27.491 30.925 829 HH2 TRP 97 HH2 TRP 97 -1.304 29.118 30.072 830 H GLY 98 H GLY 98 6.028 25.893 25.824 831 HA2 GLY 98 HA2 GLY 98 6.971 23.194 26.580 832 HA3 GLY 98 HA3 GLY 98 7.057 23.744 24.907 833 H ARG 99 H ARG 99 9.208 24.095 24.506 834 HA ARG 99 HA ARG 99 10.876 25.361 26.605 835 HB2 ARG 99 HB2 ARG 99 11.705 23.551 24.287 836 HB3 ARG 99 HB3 ARG 99 12.805 24.256 25.473 837 HG2 ARG 99 HG2 ARG 99 10.600 22.241 26.043 838 HG3 ARG 99 HG3 ARG 99 12.332 21.904 25.997 839 HD2 ARG 99 HD2 ARG 99 12.696 23.344 27.944 840 HD3 ARG 99 HD3 ARG 99 10.992 23.797 27.965 841 HE ARG 99 HE ARG 99 10.435 21.570 28.650 842 HH11 ARG 99 HH11 ARG 99 13.911 22.163 28.719 843 HH12 ARG 99 HH12 ARG 99 14.208 20.940 29.907 844 HH21 ARG 99 HH21 ARG 99 10.861 19.971 30.221 845 HH22 ARG 99 HH22 ARG 99 12.489 19.699 30.753 846 H ARG 100 H ARG 100 11.280 27.442 26.237 847 HA ARG 100 HA ARG 100 10.969 28.680 23.649 848 HB2 ARG 100 HB2 ARG 100 10.182 29.827 25.671 849 HB3 ARG 100 HB3 ARG 100 11.812 29.843 26.335 850 HG2 ARG 100 HG2 ARG 100 12.555 31.463 24.713 851 HG3 ARG 100 HG3 ARG 100 11.084 31.269 23.754 852 HD2 ARG 100 HD2 ARG 100 11.214 32.452 26.555 853 HD3 ARG 100 HD3 ARG 100 11.049 33.369 25.053 854 HE ARG 100 HE ARG 100 8.918 32.128 24.709 855 HH11 ARG 100 HH11 ARG 100 10.098 32.594 27.979 856 HH12 ARG 100 HH12 ARG 100 8.527 32.439 28.696 857 HH21 ARG 100 HH21 ARG 100 6.894 31.859 25.620 858 HH22 ARG 100 HH22 ARG 100 6.682 32.006 27.340 859 H ARG 101 H ARG 101 12.610 27.301 22.695 860 HA ARG 101 HA ARG 101 14.945 28.644 21.971 861 HB2 ARG 101 HB2 ARG 101 15.290 26.804 24.287 862 HB3 ARG 101 HB3 ARG 101 16.374 26.427 22.963 863 HG2 ARG 101 HG2 ARG 101 17.366 28.633 23.040 864 HG3 ARG 101 HG3 ARG 101 16.169 29.181 24.215 865 HD2 ARG 101 HD2 ARG 101 18.288 27.051 24.685 866 HD3 ARG 101 HD3 ARG 101 18.313 28.705 25.310 867 HE ARG 101 HE ARG 101 15.921 27.485 26.134 868 HH11 ARG 101 HH11 ARG 101 19.367 27.181 26.783 869 HH12 ARG 101 HH12 ARG 101 19.123 26.606 28.401 870 HH21 ARG 101 HH21 ARG 101 15.633 26.719 28.244 871 HH22 ARG 101 HH22 ARG 101 17.008 26.351 29.232 872 H GLU 102 H GLU 102 12.630 27.271 20.922 873 HA GLU 102 HA GLU 102 13.184 24.774 19.700 874 HB2 GLU 102 HB2 GLU 102 11.369 27.028 18.667 875 HB3 GLU 102 HB3 GLU 102 11.315 25.344 18.156 876 HG2 GLU 102 HG2 GLU 102 10.728 26.302 20.972 877 HG3 GLU 102 HG3 GLU 102 9.500 26.011 19.744 878 H SER 103 H SER 103 15.223 24.709 18.737 879 HA SER 103 HA SER 103 16.972 25.039 17.335 880 HB2 SER 103 HB2 SER 103 15.217 24.781 15.532 881 HB3 SER 103 HB3 SER 103 15.006 26.533 15.534 882 HG SER 103 HG SER 103 16.583 26.557 14.158 883 H LYS 104 H LYS 104 18.069 27.076 15.942 884 HA LYS 104 HA LYS 104 17.678 29.623 17.414 885 HB2 LYS 104 HB2 LYS 104 19.822 28.325 18.090 886 HB3 LYS 104 HB3 LYS 104 20.419 28.656 16.473 887 HG2 LYS 104 HG2 LYS 104 19.601 30.855 18.404 888 HG3 LYS 104 HG3 LYS 104 21.228 30.176 18.369 889 HD2 LYS 104 HD2 LYS 104 21.543 30.936 16.065 890 HD3 LYS 104 HD3 LYS 104 19.875 31.511 15.986 891 HE2 LYS 104 HE2 LYS 104 20.367 33.184 17.732 892 HE3 LYS 104 HE3 LYS 104 22.033 32.600 17.827 893 HZ1 LYS 104 HZ1 LYS 104 21.845 34.578 16.455 894 HZ2 LYS 104 HZ2 LYS 104 20.766 33.788 15.418 895 HZ3 LYS 104 HZ3 LYS 104 22.367 33.254 15.539 896 H LYS 105 H LYS 105 19.109 28.033 14.584 897 HA LYS 105 HA LYS 105 18.785 30.289 12.808 898 HB2 LYS 105 HB2 LYS 105 20.678 28.730 12.553 899 HB3 LYS 105 HB3 LYS 105 19.577 27.377 12.333 900 HG2 LYS 105 HG2 LYS 105 18.872 28.198 10.185 901 HG3 LYS 105 HG3 LYS 105 19.723 29.724 10.417 902 HD2 LYS 105 HD2 LYS 105 21.124 27.026 10.250 903 HD3 LYS 105 HD3 LYS 105 20.847 28.065 8.851 904 HE2 LYS 105 HE2 LYS 105 22.181 29.855 9.927 905 HE3 LYS 105 HE3 LYS 105 22.463 28.806 11.317 906 HZ1 LYS 105 HZ1 LYS 105 24.332 28.790 9.823 907 HZ2 LYS 105 HZ2 LYS 105 23.364 28.284 8.537 908 HZ3 LYS 105 HZ3 LYS 105 23.616 27.259 9.862 909 H LYS 106 H LYS 106 17.464 30.063 10.759 910 HA LYS 106 HA LYS 106 14.748 29.667 11.275 911 HB2 LYS 106 HB2 LYS 106 14.318 30.208 8.987 912 HB3 LYS 106 HB3 LYS 106 15.730 31.142 9.453 913 HG2 LYS 106 HG2 LYS 106 15.961 28.509 7.981 914 HG3 LYS 106 HG3 LYS 106 15.714 30.027 7.134 915 HD2 LYS 106 HD2 LYS 106 18.046 29.551 9.004 916 HD3 LYS 106 HD3 LYS 106 18.100 29.174 7.282 917 HE2 LYS 106 HE2 LYS 106 17.562 31.928 8.451 918 HE3 LYS 106 HE3 LYS 106 19.105 31.377 7.796 919 HZ1 LYS 106 HZ1 LYS 106 17.942 32.631 6.132 920 HZ2 LYS 106 HZ2 LYS 106 16.561 31.673 6.287 921 HZ3 LYS 106 HZ3 LYS 106 17.979 31.009 5.648 922 H LYS 107 H LYS 107 13.227 28.250 10.029 923 HA LYS 107 HA LYS 107 14.262 25.497 9.741 924 HB2 LYS 107 HB2 LYS 107 12.874 26.196 11.951 925 HB3 LYS 107 HB3 LYS 107 11.500 25.968 10.894 926 HG2 LYS 107 HG2 LYS 107 11.607 23.882 11.827 927 HG3 LYS 107 HG3 LYS 107 12.661 23.601 10.439 928 HD2 LYS 107 HD2 LYS 107 13.641 24.368 13.224 929 HD3 LYS 107 HD3 LYS 107 13.512 22.705 12.660 930 HE2 LYS 107 HE2 LYS 107 15.247 24.801 11.309 931 HE3 LYS 107 HE3 LYS 107 15.827 23.712 12.567 932 HZ1 LYS 107 HZ1 LYS 107 15.286 21.838 11.161 933 HZ2 LYS 107 HZ2 LYS 107 16.339 22.895 10.363 934 HZ3 LYS 107 HZ3 LYS 107 14.700 22.869 9.952 935 H LEU 108 H LEU 108 13.145 24.193 8.239 936 HA LEU 108 HA LEU 108 12.091 25.739 6.017 937 HB2 LEU 108 HB2 LEU 108 13.817 23.694 5.987 938 HB3 LEU 108 HB3 LEU 108 12.369 22.719 5.932 939 HG LEU 108 HG LEU 108 13.325 23.047 3.689 940 HD11 LEU 108 HD11 LEU 108 10.916 22.742 3.815 941 HD12 LEU 108 HD12 LEU 108 11.350 23.793 2.472 942 HD13 LEU 108 HD13 LEU 108 10.675 24.487 3.953 943 HD21 LEU 108 HD21 LEU 108 12.838 26.011 4.096 944 HD22 LEU 108 HD22 LEU 108 13.432 25.237 2.621 945 HD23 LEU 108 HD23 LEU 108 14.410 25.207 4.088 946 H TRP 109 H TRP 109 10.046 26.352 6.463 947 HA TRP 109 HA TRP 109 7.945 24.447 7.168 948 HB2 TRP 109 HB2 TRP 109 7.913 27.427 6.521 949 HB3 TRP 109 HB3 TRP 109 6.462 26.498 6.865 950 HD1 TRP 109 HD1 TRP 109 9.855 27.103 8.696 951 HE1 TRP 109 HE1 TRP 109 9.355 27.480 11.178 952 HE3 TRP 109 HE3 TRP 109 4.776 26.517 8.590 953 HZ2 TRP 109 HZ2 TRP 109 7.107 27.538 12.890 954 HZ3 TRP 109 HZ3 TRP 109 3.516 26.761 10.695 955 HH2 TRP 109 HH2 TRP 109 4.660 27.261 12.804 956 H MET 110 H MET 110 6.023 24.222 5.733 957 HA MET 110 HA MET 110 6.500 24.668 2.863 958 HB2 MET 110 HB2 MET 110 5.786 22.272 2.388 959 HB3 MET 110 HB3 MET 110 7.366 22.447 3.139 960 HG2 MET 110 HG2 MET 110 6.477 21.798 5.294 961 HG3 MET 110 HG3 MET 110 4.846 21.719 4.631 962 HE1 MET 110 HE1 MET 110 3.968 19.877 3.068 963 HE2 MET 110 HE2 MET 110 4.947 18.590 2.355 964 HE3 MET 110 HE3 MET 110 5.176 20.263 1.834 965 H ALA 111 H ALA 111 4.721 25.091 1.679 966 HA ALA 111 HA ALA 111 2.102 25.199 3.059 967 HB1 ALA 111 HB1 ALA 111 1.558 27.029 1.471 968 HB2 ALA 111 HB2 ALA 111 3.184 26.899 0.781 969 HB3 ALA 111 HB3 ALA 111 2.971 27.398 2.457 970 H ILE 112 H ILE 112 1.121 23.353 2.486 971 HA ILE 112 HA ILE 112 1.235 22.185 -0.169 972 HB ILE 112 HB ILE 112 -0.573 21.429 2.179 973 HG12 ILE 112 HG12 ILE 112 2.155 20.215 1.545 974 HG13 ILE 112 HG13 ILE 112 1.852 21.370 2.840 975 HG21 ILE 112 HG21 ILE 112 0.297 19.795 -0.225 976 HG22 ILE 112 HG22 ILE 112 -1.303 20.493 0.038 977 HG23 ILE 112 HG23 ILE 112 -0.712 19.219 1.104 978 HD11 ILE 112 HD11 ILE 112 0.657 18.599 2.631 979 HD12 ILE 112 HD12 ILE 112 0.347 19.761 3.924 980 HD13 ILE 112 HD13 ILE 112 1.968 19.104 3.698 981 H GLU 113 H GLU 113 -0.146 22.910 -1.822 982 HA GLU 113 HA GLU 113 -2.495 24.498 -1.110 983 HB2 GLU 113 HB2 GLU 113 -1.318 25.198 -3.141 984 HB3 GLU 113 HB3 GLU 113 -1.479 23.593 -3.846 985 HG2 GLU 113 HG2 GLU 113 -3.900 23.850 -4.014 986 HG3 GLU 113 HG3 GLU 113 -3.827 25.394 -3.171 987 H LEU 114 H LEU 114 -4.587 23.796 -1.157 988 HA LEU 114 HA LEU 114 -5.137 20.959 -1.753 989 HB2 LEU 114 HB2 LEU 114 -6.005 22.697 0.558 990 HB3 LEU 114 HB3 LEU 114 -7.118 21.468 -0.005 991 HG LEU 114 HG LEU 114 -5.919 20.561 1.862 992 HD11 LEU 114 HD11 LEU 114 -4.840 18.599 0.854 993 HD12 LEU 114 HD12 LEU 114 -4.881 19.391 -0.719 994 HD13 LEU 114 HD13 LEU 114 -6.384 18.992 0.115 995 HD21 LEU 114 HD21 LEU 114 -3.325 21.219 0.439 996 HD22 LEU 114 HD22 LEU 114 -3.469 20.291 1.934 997 HD23 LEU 114 HD23 LEU 114 -3.942 21.995 1.900 998 H GLU 115 H GLU 115 -6.599 20.613 -3.273 999 HA GLU 115 HA GLU 115 -8.748 22.570 -3.837 1000 HB2 GLU 115 HB2 GLU 115 -8.595 22.110 -6.201 1001 HB3 GLU 115 HB3 GLU 115 -6.964 22.520 -5.662 1002 HG2 GLU 115 HG2 GLU 115 -6.252 20.241 -5.768 1003 HG3 GLU 115 HG3 GLU 115 -7.903 19.652 -5.950 1004 H ASP 116 H ASP 116 -10.595 21.418 -4.986 1005 HA ASP 116 HA ASP 116 -12.205 19.835 -5.123 1006 HB2 ASP 116 HB2 ASP 116 -10.505 18.983 -6.745 1007 HB3 ASP 116 HB3 ASP 116 -9.803 17.989 -5.472 1008 H VAL 117 H VAL 117 -12.199 20.488 -2.682 1009 HA VAL 117 HA VAL 117 -11.504 18.353 -0.845 1010 HB VAL 117 HB VAL 117 -12.900 20.980 -0.186 1011 HG11 VAL 117 HG11 VAL 117 -11.280 19.070 1.538 1012 HG12 VAL 117 HG12 VAL 117 -13.040 19.205 1.540 1013 HG13 VAL 117 HG13 VAL 117 -12.051 20.564 2.082 1014 HG21 VAL 117 HG21 VAL 117 -10.677 21.895 0.373 1015 HG22 VAL 117 HG22 VAL 117 -10.752 21.457 -1.336 1016 HG23 VAL 117 HG23 VAL 117 -9.905 20.413 -0.196 1017 H LYS 118 H LYS 118 -12.835 16.731 -0.462 1018 HA LYS 118 HA LYS 118 -15.745 16.933 -0.936 1019 HB2 LYS 118 HB2 LYS 118 -14.457 15.204 -2.185 1020 HB3 LYS 118 HB3 LYS 118 -13.926 14.500 -0.674 1021 HG2 LYS 118 HG2 LYS 118 -15.623 13.065 -1.435 1022 HG3 LYS 118 HG3 LYS 118 -16.395 14.017 -0.175 1023 HD2 LYS 118 HD2 LYS 118 -16.676 14.652 -3.145 1024 HD3 LYS 118 HD3 LYS 118 -17.769 13.567 -2.296 1025 HE2 LYS 118 HE2 LYS 118 -18.400 15.448 -0.780 1026 HE3 LYS 118 HE3 LYS 118 -17.365 16.520 -1.721 1027 HZ1 LYS 118 HZ1 LYS 118 -19.727 15.058 -2.755 1028 HZ2 LYS 118 HZ2 LYS 118 -18.744 16.101 -3.652 1029 HZ3 LYS 118 HZ3 LYS 118 -19.671 16.703 -2.371 1030 H LYS 119 H LYS 119 -17.205 16.188 0.627 1031 HA LYS 119 HA LYS 119 -16.253 15.735 3.383 1032 HB2 LYS 119 HB2 LYS 119 -18.885 16.705 2.210 1033 HB3 LYS 119 HB3 LYS 119 -18.823 16.070 3.851 1034 HG2 LYS 119 HG2 LYS 119 -17.052 18.346 2.909 1035 HG3 LYS 119 HG3 LYS 119 -18.641 18.621 3.602 1036 HD2 LYS 119 HD2 LYS 119 -16.325 17.213 4.988 1037 HD3 LYS 119 HD3 LYS 119 -16.824 18.875 5.265 1038 HE2 LYS 119 HE2 LYS 119 -19.066 17.977 6.037 1039 HE3 LYS 119 HE3 LYS 119 -18.362 16.361 5.935 1040 HZ1 LYS 119 HZ1 LYS 119 -16.669 17.046 7.501 1041 HZ2 LYS 119 HZ2 LYS 119 -18.214 17.223 8.159 1042 HZ3 LYS 119 HZ3 LYS 119 -17.363 18.582 7.618 1043 H TYR 120 H TYR 120 -16.712 13.827 4.434 1044 HA TYR 120 HA TYR 120 -17.663 11.583 2.776 1045 HB2 TYR 120 HB2 TYR 120 -16.218 11.670 5.446 1046 HB3 TYR 120 HB3 TYR 120 -16.903 10.185 4.797 1047 HD1 TYR 120 HD1 TYR 120 -15.921 11.418 1.829 1048 HD2 TYR 120 HD2 TYR 120 -14.108 10.256 5.515 1049 HE1 TYR 120 HE1 TYR 120 -13.822 10.921 0.649 1050 HE2 TYR 120 HE2 TYR 120 -12.015 9.772 4.345 1051 HH TYR 120 HH TYR 120 -11.465 10.676 1.074 1052 H ASP 121 H ASP 121 -19.815 12.664 2.854 1053 HA ASP 121 HA ASP 121 -21.461 12.475 5.196 1054 HB2 ASP 121 HB2 ASP 121 -21.989 13.954 3.205 1055 HB3 ASP 121 HB3 ASP 121 -22.337 12.510 2.263 1056 H LYS 122 H LYS 122 -20.452 10.308 2.672 1057 HA LYS 122 HA LYS 122 -22.117 8.081 3.442 1058 HB2 LYS 122 HB2 LYS 122 -20.652 6.778 1.907 1059 HB3 LYS 122 HB3 LYS 122 -21.282 8.231 1.144 1060 HG2 LYS 122 HG2 LYS 122 -19.112 9.363 1.477 1061 HG3 LYS 122 HG3 LYS 122 -18.486 7.929 2.284 1062 HD2 LYS 122 HD2 LYS 122 -17.609 7.829 0.087 1063 HD3 LYS 122 HD3 LYS 122 -18.924 6.658 0.102 1064 HE2 LYS 122 HE2 LYS 122 -19.115 9.475 -1.028 1065 HE3 LYS 122 HE3 LYS 122 -18.829 8.026 -1.986 1066 HZ1 LYS 122 HZ1 LYS 122 -21.276 8.700 -0.448 1067 HZ2 LYS 122 HZ2 LYS 122 -21.003 7.200 -1.180 1068 HZ3 LYS 122 HZ3 LYS 122 -21.110 8.593 -2.129 1069 HA PRO 123 HA PRO 123 -19.652 6.791 6.958 1070 HB2 PRO 123 HB2 PRO 123 -20.223 4.119 7.107 1071 HB3 PRO 123 HB3 PRO 123 -21.403 5.373 7.512 1072 HG2 PRO 123 HG2 PRO 123 -21.094 3.819 4.946 1073 HG3 PRO 123 HG3 PRO 123 -22.576 4.182 5.858 1074 HD2 PRO 123 HD2 PRO 123 -21.844 5.618 3.664 1075 HD3 PRO 123 HD3 PRO 123 -22.708 6.361 5.029 1076 H ILE 124 H ILE 124 -17.595 7.273 5.965 1077 HA ILE 124 HA ILE 124 -16.043 4.866 5.187 1078 HB ILE 124 HB ILE 124 -15.299 7.809 4.826 1079 HG12 ILE 124 HG12 ILE 124 -16.140 5.659 2.843 1080 HG13 ILE 124 HG13 ILE 124 -16.980 7.159 3.200 1081 HG21 ILE 124 HG21 ILE 124 -13.288 6.465 5.323 1082 HG22 ILE 124 HG22 ILE 124 -13.276 7.017 3.650 1083 HG23 ILE 124 HG23 ILE 124 -13.699 5.343 4.020 1084 HD11 ILE 124 HD11 ILE 124 -14.340 6.864 1.772 1085 HD12 ILE 124 HD12 ILE 124 -15.113 8.399 2.172 1086 HD13 ILE 124 HD13 ILE 124 -15.898 7.281 1.060 1087 H LYS 125 H LYS 125 -14.835 3.998 6.693 1088 HA LYS 125 HA LYS 125 -14.459 5.368 9.268 1089 HB2 LYS 125 HB2 LYS 125 -14.361 2.415 8.514 1090 HB3 LYS 125 HB3 LYS 125 -13.881 3.009 10.096 1091 HG2 LYS 125 HG2 LYS 125 -16.099 2.185 10.334 1092 HG3 LYS 125 HG3 LYS 125 -16.216 3.944 10.370 1093 HD2 LYS 125 HD2 LYS 125 -16.961 3.931 8.000 1094 HD3 LYS 125 HD3 LYS 125 -16.833 2.170 7.972 1095 HE2 LYS 125 HE2 LYS 125 -18.701 3.761 9.769 1096 HE3 LYS 125 HE3 LYS 125 -19.171 2.944 8.278 1097 HZ1 LYS 125 HZ1 LYS 125 -18.116 1.633 10.731 1098 HZ2 LYS 125 HZ2 LYS 125 -18.498 0.835 9.290 1099 HZ3 LYS 125 HZ3 LYS 125 -19.718 1.595 10.182 1100 HA PRO 126 HA PRO 126 -9.953 5.615 8.536 1101 HB2 PRO 126 HB2 PRO 126 -9.173 5.690 11.204 1102 HB3 PRO 126 HB3 PRO 126 -9.714 7.099 10.285 1103 HG2 PRO 126 HG2 PRO 126 -11.269 5.362 12.184 1104 HG3 PRO 126 HG3 PRO 126 -11.274 7.131 12.027 1105 HD2 PRO 126 HD2 PRO 126 -13.253 5.614 10.991 1106 HD3 PRO 126 HD3 PRO 126 -12.691 7.086 10.162 1107 H LYS 127 H LYS 127 -8.523 4.016 8.222 1108 HA LYS 127 HA LYS 127 -9.131 1.290 8.871 1109 HB2 LYS 127 HB2 LYS 127 -6.701 2.536 7.501 1110 HB3 LYS 127 HB3 LYS 127 -6.926 0.805 7.684 1111 HG2 LYS 127 HG2 LYS 127 -7.577 1.324 5.458 1112 HG3 LYS 127 HG3 LYS 127 -9.070 1.024 6.346 1113 HD2 LYS 127 HD2 LYS 127 -9.400 3.499 6.549 1114 HD3 LYS 127 HD3 LYS 127 -7.936 3.756 5.596 1115 HE2 LYS 127 HE2 LYS 127 -9.902 3.996 4.168 1116 HE3 LYS 127 HE3 LYS 127 -9.005 2.559 3.685 1117 HZ1 LYS 127 HZ1 LYS 127 -10.603 1.216 4.965 1118 HZ2 LYS 127 HZ2 LYS 127 -11.354 2.089 3.731 1119 HZ3 LYS 127 HZ3 LYS 127 -11.488 2.611 5.336 1120 H ARG 128 H ARG 128 -7.115 3.756 10.236 1121 HA ARG 128 HA ARG 128 -6.726 2.243 12.668 1122 HB2 ARG 128 HB2 ARG 128 -4.278 2.509 12.777 1123 HB3 ARG 128 HB3 ARG 128 -4.718 1.570 11.355 1124 HG2 ARG 128 HG2 ARG 128 -4.397 3.553 9.922 1125 HG3 ARG 128 HG3 ARG 128 -3.982 4.522 11.341 1126 HD2 ARG 128 HD2 ARG 128 -2.002 3.112 11.737 1127 HD3 ARG 128 HD3 ARG 128 -2.424 2.103 10.350 1128 HE ARG 128 HE ARG 128 -1.770 4.976 10.107 1129 HH11 ARG 128 HH11 ARG 128 -1.286 1.673 8.980 1130 HH12 ARG 128 HH12 ARG 128 -0.234 2.154 7.689 1131 HH21 ARG 128 HH21 ARG 128 -0.384 5.570 8.423 1132 HH22 ARG 128 HH22 ARG 128 0.268 4.361 7.373 1133 H LEU 129 H LEU 129 -5.508 3.718 14.293 1134 HA LEU 129 HA LEU 129 -6.806 6.237 14.481 1135 HB2 LEU 129 HB2 LEU 129 -5.665 6.574 16.547 1136 HB3 LEU 129 HB3 LEU 129 -6.045 4.866 16.469 1137 HG LEU 129 HG LEU 129 -3.284 6.025 15.888 1138 HD11 LEU 129 HD11 LEU 129 -4.280 4.747 18.452 1139 HD12 LEU 129 HD12 LEU 129 -3.866 6.448 18.211 1140 HD13 LEU 129 HD13 LEU 129 -2.612 5.218 18.100 1141 HD21 LEU 129 HD21 LEU 129 -2.465 3.721 16.137 1142 HD22 LEU 129 HD22 LEU 129 -3.618 3.851 14.812 1143 HD23 LEU 129 HD23 LEU 129 -4.122 3.140 16.348 1144 H VAL 130 H VAL 130 -6.031 8.307 14.179 1145 HA VAL 130 HA VAL 130 -3.381 8.658 12.903 1146 HB VAL 130 HB VAL 130 -5.914 10.217 12.237 1147 HG11 VAL 130 HG11 VAL 130 -4.599 11.284 10.435 1148 HG12 VAL 130 HG12 VAL 130 -3.153 10.429 10.983 1149 HG13 VAL 130 HG13 VAL 130 -3.917 11.630 12.028 1150 HG21 VAL 130 HG21 VAL 130 -6.028 7.934 11.316 1151 HG22 VAL 130 HG22 VAL 130 -4.462 8.158 10.533 1152 HG23 VAL 130 HG23 VAL 130 -5.849 9.122 10.021 1153 HA PRO 131 HA PRO 131 -3.212 11.310 16.675 1154 HB2 PRO 131 HB2 PRO 131 -0.517 11.269 16.993 1155 HB3 PRO 131 HB3 PRO 131 -1.517 9.875 17.435 1156 HG2 PRO 131 HG2 PRO 131 0.078 10.337 14.909 1157 HG3 PRO 131 HG3 PRO 131 0.009 8.885 15.932 1158 HD2 PRO 131 HD2 PRO 131 -1.458 9.130 13.638 1159 HD3 PRO 131 HD3 PRO 131 -2.024 8.186 15.033 1160 H VAL 132 H VAL 132 -1.521 13.251 17.077 1161 HA VAL 132 HA VAL 132 -2.274 15.312 15.354 1162 HB VAL 132 HB VAL 132 -1.651 15.627 17.740 1163 HG11 VAL 132 HG11 VAL 132 0.710 15.829 18.453 1164 HG12 VAL 132 HG12 VAL 132 1.241 15.314 16.851 1165 HG13 VAL 132 HG13 VAL 132 0.341 14.199 17.881 1166 HG21 VAL 132 HG21 VAL 132 -0.111 17.436 15.839 1167 HG22 VAL 132 HG22 VAL 132 -0.533 17.834 17.505 1168 HG23 VAL 132 HG23 VAL 132 -1.806 17.606 16.303 1169 H GLY 133 H GLY 133 0.611 13.310 15.272 1170 HA2 GLY 133 HA2 GLY 133 2.149 14.881 13.414 1171 HA3 GLY 133 HA3 GLY 133 2.451 13.219 13.895 1172 H GLY 134 H GLY 134 -0.467 12.688 13.045 1173 HA2 GLY 134 HA2 GLY 134 -1.735 12.259 11.178 1174 HA3 GLY 134 HA3 GLY 134 -0.559 13.100 10.188 1175 H GLN 135 H GLN 135 -1.814 10.699 9.396 1176 HA GLN 135 HA GLN 135 0.412 8.721 9.395 1177 HB2 GLN 135 HB2 GLN 135 -2.583 8.199 9.038 1178 HB3 GLN 135 HB3 GLN 135 -1.324 6.975 8.883 1179 HG2 GLN 135 HG2 GLN 135 -2.021 8.492 11.411 1180 HG3 GLN 135 HG3 GLN 135 -2.513 6.843 11.028 1181 HE21 GLN 135 HE21 GLN 135 0.107 8.897 12.010 1182 HE22 GLN 135 HE22 GLN 135 1.203 7.641 12.455 1183 H TYR 136 H TYR 136 1.045 7.899 7.407 1184 HA TYR 136 HA TYR 136 0.210 9.288 5.006 1185 HB2 TYR 136 HB2 TYR 136 2.318 7.193 5.584 1186 HB3 TYR 136 HB3 TYR 136 1.807 7.476 3.920 1187 HD1 TYR 136 HD1 TYR 136 1.604 10.137 3.351 1188 HD2 TYR 136 HD2 TYR 136 4.275 8.400 6.216 1189 HE1 TYR 136 HE1 TYR 136 3.093 12.073 3.141 1190 HE2 TYR 136 HE2 TYR 136 5.758 10.350 5.996 1191 HH TYR 136 HH TYR 136 6.226 12.044 4.131 1192 H LEU 137 H LEU 137 -1.520 8.774 3.945 1193 HA LEU 137 HA LEU 137 -2.756 6.144 4.103 1194 HB2 LEU 137 HB2 LEU 137 -3.852 8.643 3.890 1195 HB3 LEU 137 HB3 LEU 137 -3.809 8.208 2.195 1196 HG LEU 137 HG LEU 137 -5.341 6.834 4.433 1197 HD11 LEU 137 HD11 LEU 137 -6.380 8.828 3.507 1198 HD12 LEU 137 HD12 LEU 137 -7.311 7.386 3.105 1199 HD13 LEU 137 HD13 LEU 137 -6.288 8.148 1.880 1200 HD21 LEU 137 HD21 LEU 137 -6.184 5.191 2.790 1201 HD22 LEU 137 HD22 LEU 137 -4.453 5.023 3.059 1202 HD23 LEU 137 HD23 LEU 137 -5.042 5.802 1.589 1203 H ARG 138 H ARG 138 -2.238 4.592 2.691 1204 HA ARG 138 HA ARG 138 -1.342 5.251 -0.028 1205 HB2 ARG 138 HB2 ARG 138 0.487 3.680 0.001 1206 HB3 ARG 138 HB3 ARG 138 0.714 4.762 1.353 1207 HG2 ARG 138 HG2 ARG 138 -0.353 1.930 1.528 1208 HG3 ARG 138 HG3 ARG 138 1.313 2.410 1.851 1209 HD2 ARG 138 HD2 ARG 138 0.579 3.760 3.764 1210 HD3 ARG 138 HD3 ARG 138 -1.111 3.368 3.425 1211 HE ARG 138 HE ARG 138 0.866 1.708 4.723 1212 HH11 ARG 138 HH11 ARG 138 -2.230 1.641 3.021 1213 HH12 ARG 138 HH12 ARG 138 -2.681 0.103 3.674 1214 HH21 ARG 138 HH21 ARG 138 0.254 -0.318 5.537 1215 HH22 ARG 138 HH22 ARG 138 -1.267 -1.016 5.078 1216 H GLU 139 H GLU 139 -2.315 3.996 -1.573 1217 HA GLU 139 HA GLU 139 -4.285 2.040 -0.682 1218 HB2 GLU 139 HB2 GLU 139 -4.772 3.662 -2.538 1219 HB3 GLU 139 HB3 GLU 139 -3.559 2.865 -3.526 1220 HG2 GLU 139 HG2 GLU 139 -5.805 2.138 -4.144 1221 HG3 GLU 139 HG3 GLU 139 -4.868 0.786 -3.503 Start of MODEL 11 1 H MET 1 H MET 1 1.205 1.168 -0.602 2 HA MET 1 HA MET 1 3.302 -0.420 -1.929 3 HB2 MET 1 HB2 MET 1 0.940 -0.743 -2.809 4 HB3 MET 1 HB3 MET 1 0.899 0.971 -3.189 5 HG2 MET 1 HG2 MET 1 2.755 0.665 -4.766 6 HG3 MET 1 HG3 MET 1 2.813 -1.054 -4.373 7 HE1 MET 1 HE1 MET 1 -0.356 -1.740 -4.132 8 HE2 MET 1 HE2 MET 1 0.820 -2.769 -4.952 9 HE3 MET 1 HE3 MET 1 -0.662 -2.292 -5.779 10 H SER 2 H SER 2 4.668 0.850 -3.337 11 HA SER 2 HA SER 2 5.589 3.211 -2.047 12 HB2 SER 2 HB2 SER 2 6.499 2.048 -4.717 13 HB3 SER 2 HB3 SER 2 7.415 3.145 -3.678 14 HG SER 2 HG SER 2 8.084 1.453 -2.646 15 H LYS 3 H LYS 3 3.349 2.769 -4.640 16 HA LYS 3 HA LYS 3 3.542 5.245 -5.988 17 HB2 LYS 3 HB2 LYS 3 1.152 4.869 -6.620 18 HB3 LYS 3 HB3 LYS 3 2.168 3.461 -6.903 19 HG2 LYS 3 HG2 LYS 3 1.288 2.301 -5.011 20 HG3 LYS 3 HG3 LYS 3 0.491 3.743 -4.385 21 HD2 LYS 3 HD2 LYS 3 -0.259 2.380 -6.999 22 HD3 LYS 3 HD3 LYS 3 -1.042 2.046 -5.454 23 HE2 LYS 3 HE2 LYS 3 -1.645 4.514 -5.335 24 HE3 LYS 3 HE3 LYS 3 -1.056 4.664 -6.995 25 HZ1 LYS 3 HZ1 LYS 3 -2.710 2.991 -7.640 26 HZ2 LYS 3 HZ2 LYS 3 -3.415 4.368 -6.958 27 HZ3 LYS 3 HZ3 LYS 3 -3.281 2.950 -6.046 28 H ILE 4 H ILE 4 2.436 4.493 -2.801 29 HA ILE 4 HA ILE 4 1.342 5.527 -1.134 30 HB ILE 4 HB ILE 4 2.015 8.172 -2.530 31 HG12 ILE 4 HG12 ILE 4 4.074 6.811 -2.394 32 HG13 ILE 4 HG13 ILE 4 4.179 8.168 -1.281 33 HG21 ILE 4 HG21 ILE 4 0.584 8.603 -0.616 34 HG22 ILE 4 HG22 ILE 4 2.220 9.084 -0.175 35 HG23 ILE 4 HG23 ILE 4 1.556 7.559 0.418 36 HD11 ILE 4 HD11 ILE 4 5.085 6.156 -0.294 37 HD12 ILE 4 HD12 ILE 4 3.565 5.301 -0.551 38 HD13 ILE 4 HD13 ILE 4 3.639 6.650 0.588 39 H VAL 5 H VAL 5 -0.661 7.509 -1.022 40 HA VAL 5 HA VAL 5 -1.834 7.968 -3.650 41 HB VAL 5 HB VAL 5 -4.231 7.865 -2.620 42 HG11 VAL 5 HG11 VAL 5 -2.869 5.216 -3.224 43 HG12 VAL 5 HG12 VAL 5 -3.521 6.344 -4.417 44 HG13 VAL 5 HG13 VAL 5 -4.609 5.540 -3.285 45 HG21 VAL 5 HG21 VAL 5 -4.623 6.186 -0.863 46 HG22 VAL 5 HG22 VAL 5 -3.604 7.502 -0.277 47 HG23 VAL 5 HG23 VAL 5 -2.881 5.947 -0.695 48 H GLY 6 H GLY 6 -1.847 8.640 -0.169 49 HA2 GLY 6 HA2 GLY 6 -1.272 11.417 -0.585 50 HA3 GLY 6 HA3 GLY 6 -2.932 11.147 -0.053 51 H VAL 7 H VAL 7 -2.135 12.495 1.752 52 HA VAL 7 HA VAL 7 -1.193 10.722 3.931 53 HB VAL 7 HB VAL 7 0.429 12.596 3.411 54 HG11 VAL 7 HG11 VAL 7 -1.147 14.362 2.763 55 HG12 VAL 7 HG12 VAL 7 -0.101 14.911 4.071 56 HG13 VAL 7 HG13 VAL 7 -1.767 14.442 4.414 57 HG21 VAL 7 HG21 VAL 7 0.447 11.561 5.639 58 HG22 VAL 7 HG22 VAL 7 -0.797 12.684 6.197 59 HG23 VAL 7 HG23 VAL 7 0.805 13.288 5.768 60 H THR 8 H THR 8 -2.347 10.884 5.898 61 HA THR 8 HA THR 8 -4.900 12.375 5.819 62 HB THR 8 HB THR 8 -5.456 10.030 5.707 63 HG1 THR 8 HG1 THR 8 -6.666 11.386 7.203 64 HG21 THR 8 HG21 THR 8 -3.734 9.578 8.173 65 HG22 THR 8 HG22 THR 8 -3.383 9.011 6.538 66 HG23 THR 8 HG23 THR 8 -4.775 8.371 7.412 67 H TYR 9 H TYR 9 -5.292 13.744 7.417 68 HA TYR 9 HA TYR 9 -3.698 13.698 9.905 69 HB2 TYR 9 HB2 TYR 9 -3.968 15.959 7.942 70 HB3 TYR 9 HB3 TYR 9 -4.084 16.402 9.637 71 HD1 TYR 9 HD1 TYR 9 -1.828 15.099 7.009 72 HD2 TYR 9 HD2 TYR 9 -2.152 16.261 11.110 73 HE1 TYR 9 HE1 TYR 9 0.613 15.151 7.199 74 HE2 TYR 9 HE2 TYR 9 0.291 16.317 11.291 75 HH TYR 9 HH TYR 9 2.255 15.149 10.043 76 HA PRO 10 HA PRO 10 -7.756 14.161 11.792 77 HB2 PRO 10 HB2 PRO 10 -6.962 15.102 14.267 78 HB3 PRO 10 HB3 PRO 10 -6.872 13.401 13.795 79 HG2 PRO 10 HG2 PRO 10 -4.697 15.487 13.783 80 HG3 PRO 10 HG3 PRO 10 -4.623 13.801 14.339 81 HD2 PRO 10 HD2 PRO 10 -3.665 14.548 11.925 82 HD3 PRO 10 HD3 PRO 10 -4.436 12.966 12.170 83 H ILE 11 H ILE 11 -5.342 16.767 12.101 84 HA ILE 11 HA ILE 11 -5.446 18.959 12.631 85 HB ILE 11 HB ILE 11 -7.821 19.047 10.715 86 HG12 ILE 11 HG12 ILE 11 -4.846 19.223 10.025 87 HG13 ILE 11 HG13 ILE 11 -5.864 17.822 9.714 88 HG21 ILE 11 HG21 ILE 11 -7.476 21.151 11.959 89 HG22 ILE 11 HG22 ILE 11 -7.086 21.377 10.253 90 HG23 ILE 11 HG23 ILE 11 -5.789 21.200 11.439 91 HD11 ILE 11 HD11 ILE 11 -6.179 20.554 8.470 92 HD12 ILE 11 HD12 ILE 11 -7.210 19.153 8.162 93 HD13 ILE 11 HD13 ILE 11 -5.510 19.113 7.704 94 HA PRO 12 HA PRO 12 -8.911 18.211 15.683 95 HB2 PRO 12 HB2 PRO 12 -7.476 17.966 17.951 96 HB3 PRO 12 HB3 PRO 12 -7.523 16.656 16.762 97 HG2 PRO 12 HG2 PRO 12 -5.373 18.708 17.245 98 HG3 PRO 12 HG3 PRO 12 -5.207 16.973 16.913 99 HD2 PRO 12 HD2 PRO 12 -4.942 18.995 14.999 100 HD3 PRO 12 HD3 PRO 12 -5.292 17.295 14.627 101 H LYS 13 H LYS 13 -8.160 20.732 14.582 102 HA LYS 13 HA LYS 13 -8.626 22.590 16.828 103 HB2 LYS 13 HB2 LYS 13 -6.880 23.120 14.365 104 HB3 LYS 13 HB3 LYS 13 -7.313 24.318 15.588 105 HG2 LYS 13 HG2 LYS 13 -6.151 22.915 17.305 106 HG3 LYS 13 HG3 LYS 13 -5.615 21.838 16.010 107 HD2 LYS 13 HD2 LYS 13 -4.318 23.657 14.996 108 HD3 LYS 13 HD3 LYS 13 -4.946 24.806 16.183 109 HE2 LYS 13 HE2 LYS 13 -3.166 22.416 16.774 110 HE3 LYS 13 HE3 LYS 13 -2.679 24.111 16.791 111 HZ1 LYS 13 HZ1 LYS 13 -3.063 23.490 19.012 112 HZ2 LYS 13 HZ2 LYS 13 -4.532 22.737 18.653 113 HZ3 LYS 13 HZ3 LYS 13 -4.404 24.422 18.569 114 H ARG 14 H ARG 14 -9.700 24.600 16.071 115 HA ARG 14 HA ARG 14 -12.100 23.963 14.696 116 HB2 ARG 14 HB2 ARG 14 -11.028 26.671 15.585 117 HB3 ARG 14 HB3 ARG 14 -12.705 26.328 15.151 118 HG2 ARG 14 HG2 ARG 14 -12.955 24.836 17.055 119 HG3 ARG 14 HG3 ARG 14 -11.237 24.954 17.428 120 HD2 ARG 14 HD2 ARG 14 -11.558 27.384 17.905 121 HD3 ARG 14 HD3 ARG 14 -13.298 27.166 17.670 122 HE ARG 14 HE ARG 14 -12.666 25.280 19.533 123 HH11 ARG 14 HH11 ARG 14 -12.177 28.757 19.429 124 HH12 ARG 14 HH12 ARG 14 -12.187 28.924 21.153 125 HH21 ARG 14 HH21 ARG 14 -12.665 25.518 21.775 126 HH22 ARG 14 HH22 ARG 14 -12.479 27.085 22.490 127 H PHE 15 H PHE 15 -9.094 25.111 13.546 128 HA PHE 15 HA PHE 15 -9.923 26.534 11.198 129 HB2 PHE 15 HB2 PHE 15 -7.279 25.214 11.901 130 HB3 PHE 15 HB3 PHE 15 -7.521 26.263 10.512 131 HD1 PHE 15 HD1 PHE 15 -8.409 28.685 11.045 132 HD2 PHE 15 HD2 PHE 15 -6.490 26.155 13.913 133 HE1 PHE 15 HE1 PHE 15 -7.784 30.657 12.371 134 HE2 PHE 15 HE2 PHE 15 -5.870 28.136 15.232 135 HZ PHE 15 HZ PHE 15 -6.513 30.384 14.460 136 H MET 16 H MET 16 -10.240 23.256 11.845 137 HA MET 16 HA MET 16 -9.501 22.088 9.356 138 HB2 MET 16 HB2 MET 16 -10.933 20.171 10.057 139 HB3 MET 16 HB3 MET 16 -9.804 20.680 11.302 140 HG2 MET 16 HG2 MET 16 -11.812 20.210 12.448 141 HG3 MET 16 HG3 MET 16 -11.759 21.965 12.348 142 HE1 MET 16 HE1 MET 16 -14.534 19.258 9.833 143 HE2 MET 16 HE2 MET 16 -13.457 18.673 11.103 144 HE3 MET 16 HE3 MET 16 -12.788 19.288 9.590 145 H ASP 17 H ASP 17 -12.125 24.119 10.217 146 HA ASP 17 HA ASP 17 -14.166 23.331 8.417 147 HB2 ASP 17 HB2 ASP 17 -15.260 25.383 8.974 148 HB3 ASP 17 HB3 ASP 17 -14.377 24.935 10.427 149 H ARG 18 H ARG 18 -11.267 25.161 7.985 150 HA ARG 18 HA ARG 18 -11.996 27.024 6.035 151 HB2 ARG 18 HB2 ARG 18 -9.274 25.775 6.558 152 HB3 ARG 18 HB3 ARG 18 -9.555 27.272 5.667 153 HG2 ARG 18 HG2 ARG 18 -10.272 26.830 8.584 154 HG3 ARG 18 HG3 ARG 18 -8.806 27.622 8.011 155 HD2 ARG 18 HD2 ARG 18 -10.005 29.488 7.169 156 HD3 ARG 18 HD3 ARG 18 -11.547 28.635 7.241 157 HE ARG 18 HE ARG 18 -11.537 28.829 9.616 158 HH11 ARG 18 HH11 ARG 18 -8.943 30.714 8.142 159 HH12 ARG 18 HH12 ARG 18 -8.854 31.829 9.466 160 HH21 ARG 18 HH21 ARG 18 -11.384 30.294 11.327 161 HH22 ARG 18 HH22 ARG 18 -10.234 31.589 11.261 162 H PHE 19 H PHE 19 -10.817 23.729 5.641 163 HA PHE 19 HA PHE 19 -10.299 23.864 2.824 164 HB2 PHE 19 HB2 PHE 19 -10.850 21.399 4.538 165 HB3 PHE 19 HB3 PHE 19 -10.017 21.429 2.988 166 HD1 PHE 19 HD1 PHE 19 -9.732 22.251 6.588 167 HD2 PHE 19 HD2 PHE 19 -7.677 22.093 2.840 168 HE1 PHE 19 HE1 PHE 19 -7.585 22.494 7.752 169 HE2 PHE 19 HE2 PHE 19 -5.536 22.313 4.017 170 HZ PHE 19 HZ PHE 19 -5.488 22.525 6.465 171 H PHE 20 H PHE 20 -13.065 23.112 4.822 172 HA PHE 20 HA PHE 20 -14.724 22.155 2.595 173 HB2 PHE 20 HB2 PHE 20 -15.492 22.460 5.533 174 HB3 PHE 20 HB3 PHE 20 -16.325 21.511 4.312 175 HD1 PHE 20 HD1 PHE 20 -14.935 19.557 3.224 176 HD2 PHE 20 HD2 PHE 20 -13.942 21.371 6.961 177 HE1 PHE 20 HE1 PHE 20 -13.652 17.559 3.858 178 HE2 PHE 20 HE2 PHE 20 -12.660 19.368 7.583 179 HZ PHE 20 HZ PHE 20 -12.520 17.460 6.034 180 H LYS 21 H LYS 21 -13.887 25.068 4.024 181 HA LYS 21 HA LYS 21 -16.428 26.461 3.822 182 HB2 LYS 21 HB2 LYS 21 -14.913 26.966 5.680 183 HB3 LYS 21 HB3 LYS 21 -13.610 27.360 4.575 184 HG2 LYS 21 HG2 LYS 21 -16.116 29.005 4.381 185 HG3 LYS 21 HG3 LYS 21 -15.111 29.231 5.813 186 HD2 LYS 21 HD2 LYS 21 -13.168 29.773 4.372 187 HD3 LYS 21 HD3 LYS 21 -14.155 29.522 2.931 188 HE2 LYS 21 HE2 LYS 21 -14.634 31.657 5.040 189 HE3 LYS 21 HE3 LYS 21 -13.898 31.923 3.459 190 HZ1 LYS 21 HZ1 LYS 21 -16.237 32.514 3.469 191 HZ2 LYS 21 HZ2 LYS 21 -16.665 30.948 3.926 192 HZ3 LYS 21 HZ3 LYS 21 -15.954 31.222 2.416 193 H LYS 22 H LYS 22 -13.190 26.750 2.334 194 HA LYS 22 HA LYS 22 -14.267 28.581 0.278 195 HB2 LYS 22 HB2 LYS 22 -11.945 29.314 -0.012 196 HB3 LYS 22 HB3 LYS 22 -12.413 29.396 1.682 197 HG2 LYS 22 HG2 LYS 22 -11.282 27.069 1.900 198 HG3 LYS 22 HG3 LYS 22 -10.563 27.421 0.333 199 HD2 LYS 22 HD2 LYS 22 -8.987 27.996 2.064 200 HD3 LYS 22 HD3 LYS 22 -9.546 29.498 1.321 201 HE2 LYS 22 HE2 LYS 22 -10.935 29.990 3.227 202 HE3 LYS 22 HE3 LYS 22 -10.711 28.371 3.891 203 HZ1 LYS 22 HZ1 LYS 22 -8.421 28.841 4.307 204 HZ2 LYS 22 HZ2 LYS 22 -9.357 30.081 4.992 205 HZ3 LYS 22 HZ3 LYS 22 -8.534 30.340 3.547 206 H GLY 23 H GLY 23 -13.163 25.339 0.611 207 HA2 GLY 23 HA2 GLY 23 -13.277 23.640 -0.966 208 HA3 GLY 23 HA3 GLY 23 -13.534 24.826 -2.230 209 H LYS 24 H LYS 24 -11.219 26.415 -1.849 210 HA LYS 24 HA LYS 24 -8.941 24.566 -2.254 211 HB2 LYS 24 HB2 LYS 24 -9.434 25.668 -4.366 212 HB3 LYS 24 HB3 LYS 24 -9.495 27.248 -3.587 213 HG2 LYS 24 HG2 LYS 24 -7.073 27.095 -3.086 214 HG3 LYS 24 HG3 LYS 24 -7.003 25.515 -3.879 215 HD2 LYS 24 HD2 LYS 24 -7.894 28.064 -5.291 216 HD3 LYS 24 HD3 LYS 24 -6.219 27.510 -5.269 217 HE2 LYS 24 HE2 LYS 24 -8.537 25.870 -6.354 218 HE3 LYS 24 HE3 LYS 24 -7.474 26.875 -7.343 219 HZ1 LYS 24 HZ1 LYS 24 -5.601 25.554 -6.631 220 HZ2 LYS 24 HZ2 LYS 24 -6.775 24.561 -7.336 221 HZ3 LYS 24 HZ3 LYS 24 -6.594 24.595 -5.658 222 H ASP 25 H ASP 25 -8.395 24.563 -0.108 223 HA ASP 25 HA ASP 25 -7.466 27.048 1.153 224 HB2 ASP 25 HB2 ASP 25 -8.979 25.446 2.413 225 HB3 ASP 25 HB3 ASP 25 -7.676 24.264 2.368 226 H VAL 26 H VAL 26 -5.321 26.676 2.478 227 HA VAL 26 HA VAL 26 -3.379 24.965 1.040 228 HB VAL 26 HB VAL 26 -2.910 27.857 1.918 229 HG11 VAL 26 HG11 VAL 26 -0.889 26.528 2.337 230 HG12 VAL 26 HG12 VAL 26 -0.626 27.612 0.970 231 HG13 VAL 26 HG13 VAL 26 -0.933 25.895 0.688 232 HG21 VAL 26 HG21 VAL 26 -2.540 28.317 -0.493 233 HG22 VAL 26 HG22 VAL 26 -4.175 27.726 -0.181 234 HG23 VAL 26 HG23 VAL 26 -2.963 26.643 -0.871 235 H PHE 27 H PHE 27 -2.849 23.466 2.520 236 HA PHE 27 HA PHE 27 -2.825 24.025 5.393 237 HB2 PHE 27 HB2 PHE 27 -3.852 21.912 4.558 238 HB3 PHE 27 HB3 PHE 27 -2.306 21.419 3.892 239 HD1 PHE 27 HD1 PHE 27 -3.900 22.385 7.142 240 HD2 PHE 27 HD2 PHE 27 -0.887 20.052 5.208 241 HE1 PHE 27 HE1 PHE 27 -3.385 21.290 9.272 242 HE2 PHE 27 HE2 PHE 27 -0.387 18.954 7.347 243 HZ PHE 27 HZ PHE 27 -1.630 19.566 9.380 244 H VAL 28 H VAL 28 -1.002 24.741 6.342 245 HA VAL 28 HA VAL 28 1.594 24.364 5.028 246 HB VAL 28 HB VAL 28 2.458 26.039 6.707 247 HG11 VAL 28 HG11 VAL 28 0.130 26.919 4.950 248 HG12 VAL 28 HG12 VAL 28 1.815 26.724 4.445 249 HG13 VAL 28 HG13 VAL 28 1.379 27.989 5.598 250 HG21 VAL 28 HG21 VAL 28 0.781 25.735 8.506 251 HG22 VAL 28 HG22 VAL 28 -0.490 26.371 7.454 252 HG23 VAL 28 HG23 VAL 28 0.835 27.420 7.980 253 H LYS 29 H LYS 29 3.125 23.121 5.744 254 HA LYS 29 HA LYS 29 3.002 21.768 8.369 255 HB2 LYS 29 HB2 LYS 29 3.823 20.741 5.621 256 HB3 LYS 29 HB3 LYS 29 4.484 19.989 7.070 257 HG2 LYS 29 HG2 LYS 29 1.496 20.212 6.676 258 HG3 LYS 29 HG3 LYS 29 2.425 18.931 5.902 259 HD2 LYS 29 HD2 LYS 29 1.593 17.971 7.904 260 HD3 LYS 29 HD3 LYS 29 3.289 18.308 8.228 261 HE2 LYS 29 HE2 LYS 29 2.576 20.383 9.454 262 HE3 LYS 29 HE3 LYS 29 0.893 19.919 9.197 263 HZ1 LYS 29 HZ1 LYS 29 1.537 17.778 10.351 264 HZ2 LYS 29 HZ2 LYS 29 1.447 19.161 11.316 265 HZ3 LYS 29 HZ3 LYS 29 2.951 18.568 10.830 266 HA PRO 30 HA PRO 30 7.334 23.360 8.645 267 HB2 PRO 30 HB2 PRO 30 7.954 22.324 11.094 268 HB3 PRO 30 HB3 PRO 30 6.961 23.778 10.911 269 HG2 PRO 30 HG2 PRO 30 6.088 20.935 11.418 270 HG3 PRO 30 HG3 PRO 30 5.513 22.433 12.179 271 HD2 PRO 30 HD2 PRO 30 4.156 21.191 10.143 272 HD3 PRO 30 HD3 PRO 30 4.103 22.955 10.401 273 H ALA 31 H ALA 31 6.816 21.297 6.929 274 HA ALA 31 HA ALA 31 7.331 19.320 5.998 275 HB1 ALA 31 HB1 ALA 31 9.730 18.848 5.826 276 HB2 ALA 31 HB2 ALA 31 10.053 19.913 7.196 277 HB3 ALA 31 HB3 ALA 31 9.426 20.583 5.690 278 H THR 32 H THR 32 6.083 18.975 8.510 279 HA THR 32 HA THR 32 7.214 16.974 10.163 280 HB THR 32 HB THR 32 4.239 17.361 9.599 281 HG1 THR 32 HG1 THR 32 5.924 18.773 11.414 282 HG21 THR 32 HG21 THR 32 3.924 16.611 11.935 283 HG22 THR 32 HG22 THR 32 5.663 16.356 12.096 284 HG23 THR 32 HG23 THR 32 4.724 15.366 10.974 285 H VAL 33 H VAL 33 5.223 16.838 7.261 286 HA VAL 33 HA VAL 33 5.053 13.996 7.036 287 HB VAL 33 HB VAL 33 4.296 14.467 4.676 288 HG11 VAL 33 HG11 VAL 33 2.882 16.121 6.802 289 HG12 VAL 33 HG12 VAL 33 2.641 14.398 6.496 290 HG13 VAL 33 HG13 VAL 33 2.182 15.582 5.271 291 HG21 VAL 33 HG21 VAL 33 5.646 16.475 4.214 292 HG22 VAL 33 HG22 VAL 33 4.740 17.387 5.423 293 HG23 VAL 33 HG23 VAL 33 3.932 16.814 3.961 294 H TRP 34 H TRP 34 6.164 12.644 5.645 295 HA TRP 34 HA TRP 34 8.931 13.141 5.170 296 HB2 TRP 34 HB2 TRP 34 7.150 10.841 4.266 297 HB3 TRP 34 HB3 TRP 34 8.909 10.850 4.189 298 HD1 TRP 34 HD1 TRP 34 6.093 9.965 6.499 299 HE1 TRP 34 HE1 TRP 34 7.008 9.303 8.806 300 HE3 TRP 34 HE3 TRP 34 10.944 11.543 5.944 301 HZ2 TRP 34 HZ2 TRP 34 9.441 9.445 10.224 302 HZ3 TRP 34 HZ3 TRP 34 12.498 11.243 7.831 303 HH2 TRP 34 HH2 TRP 34 11.762 10.215 9.925 304 H LYS 35 H LYS 35 9.681 12.169 2.811 305 HA LYS 35 HA LYS 35 9.081 14.383 1.046 306 HB2 LYS 35 HB2 LYS 35 11.082 12.104 0.796 307 HB3 LYS 35 HB3 LYS 35 10.930 13.408 -0.374 308 HG2 LYS 35 HG2 LYS 35 12.749 14.035 0.963 309 HG3 LYS 35 HG3 LYS 35 11.411 15.008 1.575 310 HD2 LYS 35 HD2 LYS 35 11.118 13.328 3.433 311 HD3 LYS 35 HD3 LYS 35 12.540 12.470 2.832 312 HE2 LYS 35 HE2 LYS 35 13.217 13.855 4.681 313 HE3 LYS 35 HE3 LYS 35 13.869 14.564 3.203 314 HZ1 LYS 35 HZ1 LYS 35 12.914 16.234 4.673 315 HZ2 LYS 35 HZ2 LYS 35 11.410 15.469 4.599 316 HZ3 LYS 35 HZ3 LYS 35 12.071 16.164 3.208 317 H GLU 36 H GLU 36 7.325 11.763 1.499 318 HA GLU 36 HA GLU 36 6.757 10.824 -1.148 319 HB2 GLU 36 HB2 GLU 36 4.848 10.675 1.218 320 HB3 GLU 36 HB3 GLU 36 4.968 9.571 -0.147 321 HG2 GLU 36 HG2 GLU 36 6.898 9.853 2.179 322 HG3 GLU 36 HG3 GLU 36 5.815 8.503 1.848 323 H LEU 37 H LEU 37 5.884 13.617 0.684 324 HA LEU 37 HA LEU 37 3.318 14.172 -0.377 325 HB2 LEU 37 HB2 LEU 37 4.842 15.216 1.691 326 HB3 LEU 37 HB3 LEU 37 4.928 16.517 0.524 327 HG LEU 37 HG LEU 37 3.124 16.991 2.040 328 HD11 LEU 37 HD11 LEU 37 2.693 17.567 -0.311 329 HD12 LEU 37 HD12 LEU 37 1.216 17.219 0.587 330 HD13 LEU 37 HD13 LEU 37 1.866 16.015 -0.531 331 HD21 LEU 37 HD21 LEU 37 1.955 14.277 1.378 332 HD22 LEU 37 HD22 LEU 37 1.229 15.505 2.423 333 HD23 LEU 37 HD23 LEU 37 2.741 14.732 2.892 334 H LYS 38 H LYS 38 3.158 14.216 -2.568 335 HA LYS 38 HA LYS 38 4.775 16.198 -4.073 336 HB2 LYS 38 HB2 LYS 38 4.638 14.841 -6.039 337 HB3 LYS 38 HB3 LYS 38 5.171 13.786 -4.745 338 HG2 LYS 38 HG2 LYS 38 3.308 12.458 -4.860 339 HG3 LYS 38 HG3 LYS 38 2.225 13.810 -5.168 340 HD2 LYS 38 HD2 LYS 38 2.134 12.554 -7.153 341 HD3 LYS 38 HD3 LYS 38 3.221 13.886 -7.536 342 HE2 LYS 38 HE2 LYS 38 4.178 11.848 -8.424 343 HE3 LYS 38 HE3 LYS 38 5.168 12.371 -7.058 344 HZ1 LYS 38 HZ1 LYS 38 3.082 10.251 -6.977 345 HZ2 LYS 38 HZ2 LYS 38 4.031 10.746 -5.668 346 HZ3 LYS 38 HZ3 LYS 38 4.751 9.997 -6.999 347 HA PRO 39 HA PRO 39 0.801 18.098 -5.086 348 HB2 PRO 39 HB2 PRO 39 1.445 19.493 -7.353 349 HB3 PRO 39 HB3 PRO 39 1.993 19.986 -5.745 350 HG2 PRO 39 HG2 PRO 39 3.496 18.564 -7.911 351 HG3 PRO 39 HG3 PRO 39 4.072 19.789 -6.765 352 HD2 PRO 39 HD2 PRO 39 4.494 17.038 -6.507 353 HD3 PRO 39 HD3 PRO 39 4.576 18.201 -5.166 354 H GLY 40 H GLY 40 -0.545 16.433 -5.552 355 HA2 GLY 40 HA2 GLY 40 -1.728 15.775 -7.847 356 HA3 GLY 40 HA3 GLY 40 -0.268 14.805 -7.971 357 H MET 41 H MET 41 -0.806 14.894 -4.760 358 HA MET 41 HA MET 41 -2.091 12.266 -4.708 359 HB2 MET 41 HB2 MET 41 -0.738 13.886 -2.505 360 HB3 MET 41 HB3 MET 41 -1.398 12.272 -2.297 361 HG2 MET 41 HG2 MET 41 0.235 11.626 -4.234 362 HG3 MET 41 HG3 MET 41 1.054 13.122 -3.792 363 HE1 MET 41 HE1 MET 41 1.739 13.573 -1.105 364 HE2 MET 41 HE2 MET 41 1.772 12.271 0.084 365 HE3 MET 41 HE3 MET 41 0.227 12.898 -0.493 366 H LYS 42 H LYS 42 -3.326 12.075 -2.387 367 HA LYS 42 HA LYS 42 -5.452 14.133 -2.276 368 HB2 LYS 42 HB2 LYS 42 -6.755 12.266 -1.052 369 HB3 LYS 42 HB3 LYS 42 -6.600 12.152 -2.795 370 HG2 LYS 42 HG2 LYS 42 -4.922 10.420 -2.581 371 HG3 LYS 42 HG3 LYS 42 -4.852 10.644 -0.837 372 HD2 LYS 42 HD2 LYS 42 -6.167 8.615 -1.574 373 HD3 LYS 42 HD3 LYS 42 -7.069 9.734 -0.543 374 HE2 LYS 42 HE2 LYS 42 -8.194 10.667 -2.525 375 HE3 LYS 42 HE3 LYS 42 -7.280 9.593 -3.577 376 HZ1 LYS 42 HZ1 LYS 42 -8.351 7.716 -2.402 377 HZ2 LYS 42 HZ2 LYS 42 -9.461 8.714 -3.202 378 HZ3 LYS 42 HZ3 LYS 42 -9.279 8.823 -1.527 379 H PHE 43 H PHE 43 -6.360 14.525 -0.140 380 HA PHE 43 HA PHE 43 -4.601 13.918 2.160 381 HB2 PHE 43 HB2 PHE 43 -4.186 16.248 1.182 382 HB3 PHE 43 HB3 PHE 43 -5.813 16.662 1.672 383 HD1 PHE 43 HD1 PHE 43 -6.248 16.037 4.342 384 HD2 PHE 43 HD2 PHE 43 -2.488 17.011 2.555 385 HE1 PHE 43 HE1 PHE 43 -5.403 16.793 6.515 386 HE2 PHE 43 HE2 PHE 43 -1.660 17.768 4.735 387 HZ PHE 43 HZ PHE 43 -3.112 17.661 6.713 388 H VAL 44 H VAL 44 -5.974 12.588 3.208 389 HA VAL 44 HA VAL 44 -8.833 13.144 3.282 390 HB VAL 44 HB VAL 44 -7.301 10.776 4.425 391 HG11 VAL 44 HG11 VAL 44 -9.508 9.657 4.453 392 HG12 VAL 44 HG12 VAL 44 -10.274 11.148 3.899 393 HG13 VAL 44 HG13 VAL 44 -9.504 11.089 5.487 394 HG21 VAL 44 HG21 VAL 44 -8.748 11.074 1.758 395 HG22 VAL 44 HG22 VAL 44 -8.067 9.572 2.384 396 HG23 VAL 44 HG23 VAL 44 -7.002 10.919 1.983 397 H PHE 45 H PHE 45 -9.745 14.233 4.855 398 HA PHE 45 HA PHE 45 -8.276 15.021 7.246 399 HB2 PHE 45 HB2 PHE 45 -11.088 15.811 6.342 400 HB3 PHE 45 HB3 PHE 45 -10.141 16.583 7.614 401 HD1 PHE 45 HD1 PHE 45 -7.986 17.786 6.982 402 HD2 PHE 45 HD2 PHE 45 -10.820 16.480 4.067 403 HE1 PHE 45 HE1 PHE 45 -6.983 19.288 5.322 404 HE2 PHE 45 HE2 PHE 45 -9.808 17.981 2.421 405 HZ PHE 45 HZ PHE 45 -7.891 19.386 3.040 406 H TYR 46 H TYR 46 -8.589 14.136 9.189 407 HA TYR 46 HA TYR 46 -10.502 11.913 9.508 408 HB2 TYR 46 HB2 TYR 46 -8.152 11.275 9.662 409 HB3 TYR 46 HB3 TYR 46 -7.817 12.571 10.801 410 HD1 TYR 46 HD1 TYR 46 -10.112 9.593 10.537 411 HD2 TYR 46 HD2 TYR 46 -7.550 11.915 13.037 412 HE1 TYR 46 HE1 TYR 46 -10.475 8.032 12.380 413 HE2 TYR 46 HE2 TYR 46 -7.916 10.338 14.879 414 HH TYR 46 HH TYR 46 -9.327 7.291 14.408 415 H GLN 47 H GLN 47 -12.212 12.268 10.849 416 HA GLN 47 HA GLN 47 -12.408 14.675 12.450 417 HB2 GLN 47 HB2 GLN 47 -14.380 13.732 11.239 418 HB3 GLN 47 HB3 GLN 47 -14.311 12.300 12.262 419 HG2 GLN 47 HG2 GLN 47 -14.526 14.071 14.230 420 HG3 GLN 47 HG3 GLN 47 -15.177 15.105 12.962 421 HE21 GLN 47 HE21 GLN 47 -17.248 15.167 13.817 422 HE22 GLN 47 HE22 GLN 47 -18.297 13.796 13.855 423 H SER 48 H SER 48 -12.772 11.193 13.198 424 HA SER 48 HA SER 48 -11.409 11.205 15.691 425 HB2 SER 48 HB2 SER 48 -13.480 12.596 16.267 426 HB3 SER 48 HB3 SER 48 -14.465 11.176 15.914 427 HG SER 48 HG SER 48 -12.517 11.518 17.946 428 H HIS 49 H HIS 49 -12.435 9.114 17.008 429 HA HIS 49 HA HIS 49 -12.044 6.892 15.154 430 HB2 HIS 49 HB2 HIS 49 -12.440 6.848 18.176 431 HB3 HIS 49 HB3 HIS 49 -11.897 5.498 17.188 432 HD1 HIS 49 HD1 HIS 49 -9.428 5.314 16.764 433 HD2 HIS 49 HD2 HIS 49 -10.472 9.002 18.360 434 HE1 HIS 49 HE1 HIS 49 -7.260 6.442 17.316 435 HE2 HIS 49 HE2 HIS 49 -7.916 8.752 18.068 436 H GLU 50 H GLU 50 -14.705 8.611 15.804 437 HA GLU 50 HA GLU 50 -16.583 6.426 15.319 438 HB2 GLU 50 HB2 GLU 50 -16.326 6.774 17.869 439 HB3 GLU 50 HB3 GLU 50 -17.034 8.370 17.638 440 HG2 GLU 50 HG2 GLU 50 -19.097 7.317 16.774 441 HG3 GLU 50 HG3 GLU 50 -18.381 5.722 17.006 442 H ASP 51 H ASP 51 -18.880 7.492 15.073 443 HA ASP 51 HA ASP 51 -20.371 8.948 14.319 444 HB2 ASP 51 HB2 ASP 51 -19.463 10.799 15.593 445 HB3 ASP 51 HB3 ASP 51 -18.172 11.038 14.419 446 H THR 52 H THR 52 -17.540 10.225 12.514 447 HA THR 52 HA THR 52 -18.589 8.861 10.095 448 HB THR 52 HB THR 52 -19.132 11.287 9.995 449 HG1 THR 52 HG1 THR 52 -17.118 10.590 8.089 450 HG21 THR 52 HG21 THR 52 -16.123 11.703 10.012 451 HG22 THR 52 HG22 THR 52 -17.258 12.219 11.261 452 HG23 THR 52 HG23 THR 52 -17.331 12.944 9.657 453 H GLY 53 H GLY 53 -16.045 9.054 12.215 454 HA2 GLY 53 HA2 GLY 53 -13.905 8.212 12.182 455 HA3 GLY 53 HA3 GLY 53 -14.238 7.546 10.589 456 H PHE 54 H PHE 54 -13.905 8.846 8.757 457 HA PHE 54 HA PHE 54 -12.125 11.168 8.980 458 HB2 PHE 54 HB2 PHE 54 -13.158 9.623 6.564 459 HB3 PHE 54 HB3 PHE 54 -12.075 11.001 6.468 460 HD1 PHE 54 HD1 PHE 54 -10.059 10.369 8.563 461 HD2 PHE 54 HD2 PHE 54 -11.953 7.832 5.696 462 HE1 PHE 54 HE1 PHE 54 -8.051 8.964 8.475 463 HE2 PHE 54 HE2 PHE 54 -9.951 6.412 5.634 464 HZ PHE 54 HZ PHE 54 -7.993 6.981 7.014 465 H VAL 55 H VAL 55 -12.940 13.226 8.770 466 HA VAL 55 HA VAL 55 -15.749 13.719 8.414 467 HB VAL 55 HB VAL 55 -14.676 15.197 9.911 468 HG11 VAL 55 HG11 VAL 55 -12.664 15.943 7.766 469 HG12 VAL 55 HG12 VAL 55 -12.348 14.954 9.194 470 HG13 VAL 55 HG13 VAL 55 -12.759 16.660 9.379 471 HG21 VAL 55 HG21 VAL 55 -15.117 17.450 9.048 472 HG22 VAL 55 HG22 VAL 55 -16.371 16.324 8.527 473 HG23 VAL 55 HG23 VAL 55 -15.117 16.830 7.394 474 H GLY 56 H GLY 56 -12.908 13.941 6.345 475 HA2 GLY 56 HA2 GLY 56 -14.436 13.792 3.945 476 HA3 GLY 56 HA3 GLY 56 -13.873 15.443 4.213 477 H GLU 57 H GLU 57 -12.733 15.118 2.225 478 HA GLU 57 HA GLU 57 -9.980 14.409 2.652 479 HB2 GLU 57 HB2 GLU 57 -9.699 12.883 0.804 480 HB3 GLU 57 HB3 GLU 57 -10.983 12.231 1.815 481 HG2 GLU 57 HG2 GLU 57 -12.671 13.017 0.242 482 HG3 GLU 57 HG3 GLU 57 -11.431 13.796 -0.739 483 H ALA 58 H ALA 58 -8.823 14.885 0.406 484 HA ALA 58 HA ALA 58 -10.025 16.879 -1.288 485 HB1 ALA 58 HB1 ALA 58 -7.867 17.740 0.673 486 HB2 ALA 58 HB2 ALA 58 -9.535 18.311 0.637 487 HB3 ALA 58 HB3 ALA 58 -8.442 18.707 -0.691 488 H ARG 59 H ARG 59 -7.893 17.988 -2.458 489 HA ARG 59 HA ARG 59 -6.104 15.779 -3.238 490 HB2 ARG 59 HB2 ARG 59 -7.417 17.861 -5.026 491 HB3 ARG 59 HB3 ARG 59 -6.120 16.785 -5.554 492 HG2 ARG 59 HG2 ARG 59 -8.819 15.877 -4.501 493 HG3 ARG 59 HG3 ARG 59 -8.376 15.971 -6.215 494 HD2 ARG 59 HD2 ARG 59 -6.657 14.258 -5.884 495 HD3 ARG 59 HD3 ARG 59 -6.960 14.231 -4.144 496 HE ARG 59 HE ARG 59 -8.516 12.976 -6.235 497 HH11 ARG 59 HH11 ARG 59 -8.565 14.008 -2.874 498 HH12 ARG 59 HH12 ARG 59 -9.843 12.923 -2.443 499 HH21 ARG 59 HH21 ARG 59 -10.208 11.591 -5.636 500 HH22 ARG 59 HH22 ARG 59 -10.782 11.586 -4.000 501 H ILE 60 H ILE 60 -4.152 16.175 -2.697 502 HA ILE 60 HA ILE 60 -3.025 18.680 -2.003 503 HB ILE 60 HB ILE 60 -1.920 15.895 -2.457 504 HG12 ILE 60 HG12 ILE 60 -1.843 17.594 0.066 505 HG13 ILE 60 HG13 ILE 60 -3.203 16.555 -0.323 506 HG21 ILE 60 HG21 ILE 60 0.317 16.657 -1.704 507 HG22 ILE 60 HG22 ILE 60 -0.230 18.328 -1.828 508 HG23 ILE 60 HG23 ILE 60 -0.137 17.322 -3.272 509 HD11 ILE 60 HD11 ILE 60 -1.669 15.521 1.264 510 HD12 ILE 60 HD12 ILE 60 -0.355 15.627 0.094 511 HD13 ILE 60 HD13 ILE 60 -1.756 14.599 -0.236 512 H LYS 61 H LYS 61 -2.081 20.117 -3.198 513 HA LYS 61 HA LYS 61 -1.219 19.655 -5.969 514 HB2 LYS 61 HB2 LYS 61 -3.217 21.759 -5.028 515 HB3 LYS 61 HB3 LYS 61 -2.470 21.791 -6.611 516 HG2 LYS 61 HG2 LYS 61 -4.254 19.583 -5.556 517 HG3 LYS 61 HG3 LYS 61 -4.757 20.869 -6.645 518 HD2 LYS 61 HD2 LYS 61 -2.615 18.813 -7.306 519 HD3 LYS 61 HD3 LYS 61 -4.311 18.669 -7.772 520 HE2 LYS 61 HE2 LYS 61 -2.456 20.922 -8.611 521 HE3 LYS 61 HE3 LYS 61 -2.904 19.542 -9.615 522 HZ1 LYS 61 HZ1 LYS 61 -5.223 20.266 -9.475 523 HZ2 LYS 61 HZ2 LYS 61 -4.242 21.460 -10.154 524 HZ3 LYS 61 HZ3 LYS 61 -4.759 21.607 -8.554 525 H ARG 62 H ARG 62 -0.742 22.539 -6.369 526 HA ARG 62 HA ARG 62 1.918 22.418 -6.242 527 HB2 ARG 62 HB2 ARG 62 2.035 24.784 -6.664 528 HB3 ARG 62 HB3 ARG 62 0.565 24.172 -7.410 529 HG2 ARG 62 HG2 ARG 62 -0.695 25.049 -5.377 530 HG3 ARG 62 HG3 ARG 62 0.803 25.841 -4.883 531 HD2 ARG 62 HD2 ARG 62 -0.469 27.496 -6.028 532 HD3 ARG 62 HD3 ARG 62 0.776 26.995 -7.175 533 HE ARG 62 HE ARG 62 -1.948 25.867 -7.254 534 HH11 ARG 62 HH11 ARG 62 0.637 27.528 -8.945 535 HH12 ARG 62 HH12 ARG 62 -0.193 27.511 -10.465 536 HH21 ARG 62 HH21 ARG 62 -3.009 25.841 -9.222 537 HH22 ARG 62 HH22 ARG 62 -2.268 26.549 -10.618 538 H VAL 63 H VAL 63 3.396 22.116 -4.717 539 HA VAL 63 HA VAL 63 2.903 23.029 -1.956 540 HB VAL 63 HB VAL 63 4.617 21.364 -1.245 541 HG11 VAL 63 HG11 VAL 63 2.369 20.179 -2.920 542 HG12 VAL 63 HG12 VAL 63 2.249 20.726 -1.246 543 HG13 VAL 63 HG13 VAL 63 3.256 19.335 -1.645 544 HG21 VAL 63 HG21 VAL 63 4.678 20.474 -4.171 545 HG22 VAL 63 HG22 VAL 63 5.455 19.630 -2.828 546 HG23 VAL 63 HG23 VAL 63 6.006 21.238 -3.298 547 H VAL 64 H VAL 64 3.788 24.931 -1.497 548 HA VAL 64 HA VAL 64 6.188 25.913 -2.864 549 HB VAL 64 HB VAL 64 4.354 27.289 -0.848 550 HG11 VAL 64 HG11 VAL 64 6.565 28.494 -2.562 551 HG12 VAL 64 HG12 VAL 64 6.586 28.320 -0.804 552 HG13 VAL 64 HG13 VAL 64 5.429 29.411 -1.568 553 HG21 VAL 64 HG21 VAL 64 3.165 26.764 -2.929 554 HG22 VAL 64 HG22 VAL 64 4.437 27.544 -3.874 555 HG23 VAL 64 HG23 VAL 64 3.427 28.505 -2.792 556 H LEU 65 H LEU 65 8.050 25.160 -2.011 557 HA LEU 65 HA LEU 65 8.335 24.655 0.849 558 HB2 LEU 65 HB2 LEU 65 10.475 24.474 -1.327 559 HB3 LEU 65 HB3 LEU 65 10.557 23.800 0.297 560 HG LEU 65 HG LEU 65 8.701 22.853 -1.933 561 HD11 LEU 65 HD11 LEU 65 10.073 20.814 -1.967 562 HD12 LEU 65 HD12 LEU 65 11.166 21.513 -0.768 563 HD13 LEU 65 HD13 LEU 65 11.027 22.242 -2.371 564 HD21 LEU 65 HD21 LEU 65 7.620 22.540 0.230 565 HD22 LEU 65 HD22 LEU 65 9.054 21.735 0.873 566 HD23 LEU 65 HD23 LEU 65 8.120 20.981 -0.423 567 H SER 66 H SER 66 8.794 26.297 2.140 568 HA SER 66 HA SER 66 10.874 28.241 1.547 569 HB2 SER 66 HB2 SER 66 8.022 29.154 2.192 570 HB3 SER 66 HB3 SER 66 9.428 30.204 2.110 571 HG SER 66 HG SER 66 8.536 28.622 -0.063 572 H GLU 67 H GLU 67 12.035 28.509 3.387 573 HA GLU 67 HA GLU 67 11.455 27.091 5.739 574 HB2 GLU 67 HB2 GLU 67 13.428 29.296 5.161 575 HB3 GLU 67 HB3 GLU 67 13.330 28.522 6.737 576 HG2 GLU 67 HG2 GLU 67 13.796 26.328 5.601 577 HG3 GLU 67 HG3 GLU 67 14.076 27.218 4.108 578 H ASN 68 H ASN 68 11.193 30.615 5.081 579 HA ASN 68 HA ASN 68 10.097 31.222 7.661 580 HB2 ASN 68 HB2 ASN 68 9.820 32.883 5.127 581 HB3 ASN 68 HB3 ASN 68 9.632 33.447 6.777 582 HD21 ASN 68 HD21 ASN 68 11.442 34.351 4.629 583 HD22 ASN 68 HD22 ASN 68 13.034 34.262 5.291 584 HA PRO 69 HA PRO 69 6.000 29.489 6.597 585 HB2 PRO 69 HB2 PRO 69 4.705 30.319 8.910 586 HB3 PRO 69 HB3 PRO 69 5.712 28.871 8.810 587 HG2 PRO 69 HG2 PRO 69 6.447 31.616 9.814 588 HG3 PRO 69 HG3 PRO 69 6.811 30.030 10.530 589 HD2 PRO 69 HD2 PRO 69 8.664 31.371 9.114 590 HD3 PRO 69 HD3 PRO 69 8.544 29.597 9.010 591 H MET 70 H MET 70 6.868 32.755 7.248 592 HA MET 70 HA MET 70 4.300 34.006 7.009 593 HB2 MET 70 HB2 MET 70 7.108 35.167 6.877 594 HB3 MET 70 HB3 MET 70 5.631 36.108 7.039 595 HG2 MET 70 HG2 MET 70 5.234 35.276 9.242 596 HG3 MET 70 HG3 MET 70 6.473 34.030 9.074 597 HE1 MET 70 HE1 MET 70 9.778 36.133 9.136 598 HE2 MET 70 HE2 MET 70 8.887 35.579 7.721 599 HE3 MET 70 HE3 MET 70 9.091 34.507 9.109 600 H GLN 71 H GLN 71 6.721 32.919 4.771 601 HA GLN 71 HA GLN 71 6.223 34.559 2.537 602 HB2 GLN 71 HB2 GLN 71 7.080 31.635 2.590 603 HB3 GLN 71 HB3 GLN 71 7.156 32.679 1.171 604 HG2 GLN 71 HG2 GLN 71 8.709 33.062 3.746 605 HG3 GLN 71 HG3 GLN 71 9.353 32.403 2.247 606 HE21 GLN 71 HE21 GLN 71 8.040 34.330 0.493 607 HE22 GLN 71 HE22 GLN 71 8.825 35.844 0.747 608 H PHE 72 H PHE 72 4.432 31.914 3.905 609 HA PHE 72 HA PHE 72 2.774 31.406 1.573 610 HB2 PHE 72 HB2 PHE 72 2.287 30.448 4.420 611 HB3 PHE 72 HB3 PHE 72 1.729 29.706 2.919 612 HD1 PHE 72 HD1 PHE 72 4.351 29.812 1.350 613 HD2 PHE 72 HD2 PHE 72 3.488 28.654 5.374 614 HE1 PHE 72 HE1 PHE 72 6.321 28.349 1.363 615 HE2 PHE 72 HE2 PHE 72 5.439 27.191 5.356 616 HZ PHE 72 HZ PHE 72 6.858 27.028 3.361 617 H PHE 73 H PHE 73 2.659 33.380 4.438 618 HA PHE 73 HA PHE 73 -0.207 33.894 4.263 619 HB2 PHE 73 HB2 PHE 73 1.917 34.936 6.178 620 HB3 PHE 73 HB3 PHE 73 0.192 35.277 6.309 621 HD1 PHE 73 HD1 PHE 73 -1.415 33.236 6.541 622 HD2 PHE 73 HD2 PHE 73 2.796 32.979 7.189 623 HE1 PHE 73 HE1 PHE 73 -1.721 31.159 7.803 624 HE2 PHE 73 HE2 PHE 73 2.468 30.897 8.439 625 HZ PHE 73 HZ PHE 73 0.212 29.978 8.741 626 H GLU 74 H GLU 74 2.750 35.377 3.155 627 HA GLU 74 HA GLU 74 1.435 37.904 2.472 628 HB2 GLU 74 HB2 GLU 74 3.575 38.523 1.432 629 HB3 GLU 74 HB3 GLU 74 3.838 37.904 3.057 630 HG2 GLU 74 HG2 GLU 74 4.453 35.694 2.043 631 HG3 GLU 74 HG3 GLU 74 4.345 36.445 0.448 632 H THR 75 H THR 75 2.283 34.832 0.931 633 HA THR 75 HA THR 75 1.581 35.699 -1.738 634 HB THR 75 HB THR 75 2.268 32.948 -0.627 635 HG1 THR 75 HG1 THR 75 4.230 33.674 -0.824 636 HG21 THR 75 HG21 THR 75 0.945 32.667 -2.691 637 HG22 THR 75 HG22 THR 75 2.637 32.251 -2.976 638 HG23 THR 75 HG23 THR 75 2.005 33.801 -3.532 639 H PHE 76 H PHE 76 0.199 33.176 0.446 640 HA PHE 76 HA PHE 76 -2.308 33.144 -1.098 641 HB2 PHE 76 HB2 PHE 76 -1.513 31.353 1.235 642 HB3 PHE 76 HB3 PHE 76 -2.846 31.103 0.128 643 HD1 PHE 76 HD1 PHE 76 -2.357 30.549 -2.298 644 HD2 PHE 76 HD2 PHE 76 0.674 30.512 0.720 645 HE1 PHE 76 HE1 PHE 76 -0.933 29.159 -3.739 646 HE2 PHE 76 HE2 PHE 76 2.092 29.119 -0.728 647 HZ PHE 76 HZ PHE 76 1.287 28.442 -2.958 648 H GLY 77 H GLY 77 -1.308 33.277 2.342 649 HA2 GLY 77 HA2 GLY 77 -2.057 34.447 4.152 650 HA3 GLY 77 HA3 GLY 77 -2.855 35.544 3.040 651 H ASP 78 H ASP 78 -4.975 35.152 2.430 652 HA ASP 78 HA ASP 78 -6.706 34.154 4.453 653 HB2 ASP 78 HB2 ASP 78 -7.241 36.068 2.908 654 HB3 ASP 78 HB3 ASP 78 -7.355 34.932 1.574 655 H ARG 79 H ARG 79 -5.385 32.784 1.514 656 HA ARG 79 HA ARG 79 -7.230 30.600 1.236 657 HB2 ARG 79 HB2 ARG 79 -4.441 31.008 0.081 658 HB3 ARG 79 HB3 ARG 79 -5.511 29.679 -0.360 659 HG2 ARG 79 HG2 ARG 79 -6.037 32.631 -0.806 660 HG3 ARG 79 HG3 ARG 79 -5.598 31.443 -2.041 661 HD2 ARG 79 HD2 ARG 79 -7.700 30.191 -1.558 662 HD3 ARG 79 HD3 ARG 79 -8.142 31.420 -0.375 663 HE ARG 79 HE ARG 79 -8.445 32.992 -2.137 664 HH11 ARG 79 HH11 ARG 79 -7.809 29.749 -3.345 665 HH12 ARG 79 HH12 ARG 79 -8.656 30.005 -4.837 666 HH21 ARG 79 HH21 ARG 79 -9.562 33.317 -4.095 667 HH22 ARG 79 HH22 ARG 79 -9.642 32.038 -5.268 668 H VAL 80 H VAL 80 -4.278 31.071 3.076 669 HA VAL 80 HA VAL 80 -3.796 28.316 3.707 670 HB VAL 80 HB VAL 80 -3.029 30.749 5.392 671 HG11 VAL 80 HG11 VAL 80 -2.726 28.603 6.563 672 HG12 VAL 80 HG12 VAL 80 -1.172 29.359 6.207 673 HG13 VAL 80 HG13 VAL 80 -1.735 28.001 5.228 674 HG21 VAL 80 HG21 VAL 80 -1.462 29.526 3.091 675 HG22 VAL 80 HG22 VAL 80 -0.875 30.793 4.174 676 HG23 VAL 80 HG23 VAL 80 -2.237 31.113 3.099 677 H PHE 81 H PHE 81 -4.351 27.207 5.756 678 HA PHE 81 HA PHE 81 -7.046 27.578 6.483 679 HB2 PHE 81 HB2 PHE 81 -6.822 25.716 7.985 680 HB3 PHE 81 HB3 PHE 81 -5.887 25.388 6.539 681 HD1 PHE 81 HD1 PHE 81 -3.435 25.225 6.624 682 HD2 PHE 81 HD2 PHE 81 -5.704 25.966 10.163 683 HE1 PHE 81 HE1 PHE 81 -1.508 24.587 8.010 684 HE2 PHE 81 HE2 PHE 81 -3.777 25.324 11.542 685 HZ PHE 81 HZ PHE 81 -1.670 24.637 10.465 686 H LEU 82 H LEU 82 -4.389 29.248 7.648 687 HA LEU 82 HA LEU 82 -6.050 30.648 9.598 688 HB2 LEU 82 HB2 LEU 82 -4.470 30.554 11.385 689 HB3 LEU 82 HB3 LEU 82 -4.721 28.906 10.861 690 HG LEU 82 HG LEU 82 -2.248 30.599 10.256 691 HD11 LEU 82 HD11 LEU 82 -2.361 29.960 12.614 692 HD12 LEU 82 HD12 LEU 82 -1.058 29.103 11.798 693 HD13 LEU 82 HD13 LEU 82 -2.567 28.262 12.171 694 HD21 LEU 82 HD21 LEU 82 -2.657 28.996 8.448 695 HD22 LEU 82 HD22 LEU 82 -2.734 27.672 9.610 696 HD23 LEU 82 HD23 LEU 82 -1.224 28.558 9.374 697 H THR 83 H THR 83 -4.791 32.751 10.305 698 HA THR 83 HA THR 83 -3.321 33.815 7.955 699 HB THR 83 HB THR 83 -5.378 35.096 8.543 700 HG1 THR 83 HG1 THR 83 -4.020 37.176 8.954 701 HG21 THR 83 HG21 THR 83 -3.942 35.681 11.157 702 HG22 THR 83 HG22 THR 83 -5.481 34.834 10.961 703 HG23 THR 83 HG23 THR 83 -5.364 36.549 10.574 704 H LYS 84 H LYS 84 -1.713 35.674 8.760 705 HA LYS 84 HA LYS 84 0.434 34.238 9.905 706 HB2 LYS 84 HB2 LYS 84 0.582 36.190 8.262 707 HB3 LYS 84 HB3 LYS 84 0.292 37.261 9.628 708 HG2 LYS 84 HG2 LYS 84 2.354 36.267 10.722 709 HG3 LYS 84 HG3 LYS 84 2.667 35.422 9.207 710 HD2 LYS 84 HD2 LYS 84 2.588 38.429 9.651 711 HD3 LYS 84 HD3 LYS 84 4.011 37.451 9.286 712 HE2 LYS 84 HE2 LYS 84 3.159 36.987 7.044 713 HE3 LYS 84 HE3 LYS 84 1.655 37.837 7.406 714 HZ1 LYS 84 HZ1 LYS 84 3.079 39.261 6.164 715 HZ2 LYS 84 HZ2 LYS 84 4.360 39.025 7.235 716 HZ3 LYS 84 HZ3 LYS 84 2.985 39.867 7.742 717 H ASP 85 H ASP 85 -1.887 36.473 11.286 718 HA ASP 85 HA ASP 85 -0.531 36.894 13.770 719 HB2 ASP 85 HB2 ASP 85 -2.284 38.434 12.838 720 HB3 ASP 85 HB3 ASP 85 -3.493 37.220 13.226 721 H GLU 86 H GLU 86 -2.876 34.497 12.629 722 HA GLU 86 HA GLU 86 -3.258 33.176 15.136 723 HB2 GLU 86 HB2 GLU 86 -3.477 31.953 12.361 724 HB3 GLU 86 HB3 GLU 86 -4.183 31.321 13.847 725 HG2 GLU 86 HG2 GLU 86 -4.967 33.833 12.365 726 HG3 GLU 86 HG3 GLU 86 -5.896 32.348 12.486 727 H LEU 87 H LEU 87 -0.930 32.913 12.509 728 HA LEU 87 HA LEU 87 0.450 30.566 13.241 729 HB2 LEU 87 HB2 LEU 87 0.779 31.503 11.038 730 HB3 LEU 87 HB3 LEU 87 1.293 33.042 11.705 731 HG LEU 87 HG LEU 87 3.317 31.726 12.692 732 HD11 LEU 87 HD11 LEU 87 2.493 29.714 10.591 733 HD12 LEU 87 HD12 LEU 87 2.504 29.470 12.342 734 HD13 LEU 87 HD13 LEU 87 4.019 29.731 11.483 735 HD21 LEU 87 HD21 LEU 87 3.195 32.157 9.698 736 HD22 LEU 87 HD22 LEU 87 4.647 32.064 10.689 737 HD23 LEU 87 HD23 LEU 87 3.520 33.398 10.909 738 H LYS 88 H LYS 88 1.166 33.991 13.985 739 HA LYS 88 HA LYS 88 3.611 33.499 15.320 740 HB2 LYS 88 HB2 LYS 88 3.430 35.895 16.090 741 HB3 LYS 88 HB3 LYS 88 3.238 35.670 14.358 742 HG2 LYS 88 HG2 LYS 88 1.453 37.075 14.619 743 HG3 LYS 88 HG3 LYS 88 0.643 35.604 15.084 744 HD2 LYS 88 HD2 LYS 88 0.008 37.073 16.776 745 HD3 LYS 88 HD3 LYS 88 1.341 36.181 17.517 746 HE2 LYS 88 HE2 LYS 88 1.666 38.497 18.011 747 HE3 LYS 88 HE3 LYS 88 2.860 38.053 16.797 748 HZ1 LYS 88 HZ1 LYS 88 1.761 40.187 16.341 749 HZ2 LYS 88 HZ2 LYS 88 0.278 39.387 16.194 750 HZ3 LYS 88 HZ3 LYS 88 1.524 39.062 15.101 751 H GLU 89 H GLU 89 0.274 33.955 16.581 752 HA GLU 89 HA GLU 89 1.049 33.688 19.337 753 HB2 GLU 89 HB2 GLU 89 -1.323 33.509 19.858 754 HB3 GLU 89 HB3 GLU 89 -1.057 34.808 18.697 755 HG2 GLU 89 HG2 GLU 89 -1.863 33.372 16.875 756 HG3 GLU 89 HG3 GLU 89 -2.077 32.034 18.004 757 H TYR 90 H TYR 90 0.211 31.401 16.800 758 HA TYR 90 HA TYR 90 -0.234 29.083 18.387 759 HB2 TYR 90 HB2 TYR 90 -0.973 29.125 16.069 760 HB3 TYR 90 HB3 TYR 90 0.659 29.427 15.493 761 HD1 TYR 90 HD1 TYR 90 -1.271 26.837 17.434 762 HD2 TYR 90 HD2 TYR 90 1.885 27.594 14.645 763 HE1 TYR 90 HE1 TYR 90 -0.919 24.425 17.167 764 HE2 TYR 90 HE2 TYR 90 2.235 25.169 14.387 765 HH TYR 90 HH TYR 90 1.804 23.091 15.719 766 H MET 91 H MET 91 2.687 30.368 16.798 767 HA MET 91 HA MET 91 4.407 28.199 17.519 768 HB2 MET 91 HB2 MET 91 5.060 31.021 16.578 769 HB3 MET 91 HB3 MET 91 6.258 29.751 16.781 770 HG2 MET 91 HG2 MET 91 5.083 28.396 15.069 771 HG3 MET 91 HG3 MET 91 3.943 29.721 14.827 772 HE1 MET 91 HE1 MET 91 5.931 32.299 15.041 773 HE2 MET 91 HE2 MET 91 4.659 32.113 13.833 774 HE3 MET 91 HE3 MET 91 6.299 32.511 13.328 775 H LYS 92 H LYS 92 3.630 31.309 19.008 776 HA LYS 92 HA LYS 92 5.532 31.054 21.161 777 HB2 LYS 92 HB2 LYS 92 3.099 32.869 20.901 778 HB3 LYS 92 HB3 LYS 92 4.301 32.983 22.179 779 HG2 LYS 92 HG2 LYS 92 4.776 33.450 19.223 780 HG3 LYS 92 HG3 LYS 92 4.650 34.696 20.465 781 HD2 LYS 92 HD2 LYS 92 6.833 32.587 20.232 782 HD3 LYS 92 HD3 LYS 92 6.988 34.299 19.837 783 HE2 LYS 92 HE2 LYS 92 6.504 33.119 22.594 784 HE3 LYS 92 HE3 LYS 92 7.999 33.847 22.008 785 HZ1 LYS 92 HZ1 LYS 92 5.415 35.265 22.396 786 HZ2 LYS 92 HZ2 LYS 92 6.834 35.964 21.803 787 HZ3 LYS 92 HZ3 LYS 92 6.779 35.385 23.389 788 H SER 93 H SER 93 2.225 29.992 20.610 789 HA SER 93 HA SER 93 1.480 29.389 23.288 790 HB2 SER 93 HB2 SER 93 -0.123 29.472 21.364 791 HB3 SER 93 HB3 SER 93 0.589 27.996 20.722 792 HG SER 93 HG SER 93 -1.418 27.991 22.179 793 H GLN 94 H GLN 94 3.399 27.725 20.884 794 HA GLN 94 HA GLN 94 3.546 25.169 22.161 795 HB2 GLN 94 HB2 GLN 94 5.290 26.431 20.009 796 HB3 GLN 94 HB3 GLN 94 5.325 24.727 20.454 797 HG2 GLN 94 HG2 GLN 94 2.947 26.187 19.260 798 HG3 GLN 94 HG3 GLN 94 4.059 25.147 18.374 799 HE21 GLN 94 HE21 GLN 94 1.130 24.949 18.849 800 HE22 GLN 94 HE22 GLN 94 0.882 23.377 19.517 801 H GLU 95 H GLU 95 4.985 28.104 23.104 802 HA GLU 95 HA GLU 95 7.053 26.601 24.607 803 HB2 GLU 95 HB2 GLU 95 8.572 28.515 24.454 804 HB3 GLU 95 HB3 GLU 95 8.155 27.876 22.878 805 HG2 GLU 95 HG2 GLU 95 8.175 30.186 22.547 806 HG3 GLU 95 HG3 GLU 95 6.462 29.808 22.711 807 H ARG 96 H ARG 96 4.581 29.090 24.779 808 HA ARG 96 HA ARG 96 5.350 30.123 27.351 809 HB2 ARG 96 HB2 ARG 96 3.232 31.378 27.303 810 HB3 ARG 96 HB3 ARG 96 4.085 31.519 25.771 811 HG2 ARG 96 HG2 ARG 96 2.561 29.796 24.812 812 HG3 ARG 96 HG3 ARG 96 1.672 29.770 26.336 813 HD2 ARG 96 HD2 ARG 96 2.017 32.243 24.598 814 HD3 ARG 96 HD3 ARG 96 0.616 31.168 24.530 815 HE ARG 96 HE ARG 96 1.084 32.099 27.184 816 HH11 ARG 96 HH11 ARG 96 -0.286 33.155 24.129 817 HH12 ARG 96 HH12 ARG 96 -1.371 34.278 24.876 818 HH21 ARG 96 HH21 ARG 96 -0.354 33.575 28.128 819 HH22 ARG 96 HH22 ARG 96 -1.412 34.507 27.124 820 H TRP 97 H TRP 97 3.290 27.482 26.315 821 HA TRP 97 HA TRP 97 2.198 27.075 29.008 822 HB2 TRP 97 HB2 TRP 97 1.716 25.411 26.501 823 HB3 TRP 97 HB3 TRP 97 0.792 25.350 27.999 824 HD1 TRP 97 HD1 TRP 97 0.169 26.411 24.727 825 HE1 TRP 97 HE1 TRP 97 -1.380 28.445 24.538 826 HE3 TRP 97 HE3 TRP 97 0.476 28.150 29.547 827 HZ2 TRP 97 HZ2 TRP 97 -2.355 30.494 26.179 828 HZ3 TRP 97 HZ3 TRP 97 -0.807 30.163 30.143 829 HH2 TRP 97 HH2 TRP 97 -2.194 31.312 28.491 830 H GLY 98 H GLY 98 4.768 25.912 26.994 831 HA2 GLY 98 HA2 GLY 98 6.194 24.637 28.995 832 HA3 GLY 98 HA3 GLY 98 5.222 23.374 28.243 833 H ARG 99 H ARG 99 7.860 23.066 28.158 834 HA ARG 99 HA ARG 99 9.547 22.427 26.795 835 HB2 ARG 99 HB2 ARG 99 7.812 21.688 25.202 836 HB3 ARG 99 HB3 ARG 99 7.720 23.310 24.531 837 HG2 ARG 99 HG2 ARG 99 10.253 22.960 23.950 838 HG3 ARG 99 HG3 ARG 99 9.907 21.249 24.212 839 HD2 ARG 99 HD2 ARG 99 9.706 21.800 21.840 840 HD3 ARG 99 HD3 ARG 99 8.120 21.369 22.490 841 HE ARG 99 HE ARG 99 8.019 24.007 22.766 842 HH11 ARG 99 HH11 ARG 99 9.042 22.156 19.963 843 HH12 ARG 99 HH12 ARG 99 8.649 23.424 18.851 844 HH21 ARG 99 HH21 ARG 99 7.542 25.649 21.294 845 HH22 ARG 99 HH22 ARG 99 7.791 25.389 19.596 846 H ARG 100 H ARG 100 11.441 23.496 26.636 847 HA ARG 100 HA ARG 100 11.610 26.348 26.573 848 HB2 ARG 100 HB2 ARG 100 13.826 24.260 26.357 849 HB3 ARG 100 HB3 ARG 100 14.084 25.987 26.620 850 HG2 ARG 100 HG2 ARG 100 12.818 25.826 28.758 851 HG3 ARG 100 HG3 ARG 100 12.633 24.089 28.500 852 HD2 ARG 100 HD2 ARG 100 15.105 23.839 28.585 853 HD3 ARG 100 HD3 ARG 100 15.261 25.578 28.881 854 HE ARG 100 HE ARG 100 13.773 23.775 30.714 855 HH11 ARG 100 HH11 ARG 100 16.144 26.337 30.287 856 HH12 ARG 100 HH12 ARG 100 16.373 26.564 31.991 857 HH21 ARG 100 HH21 ARG 100 14.074 24.088 32.941 858 HH22 ARG 100 HH22 ARG 100 15.207 25.278 33.502 859 H ARG 101 H ARG 101 11.273 27.491 24.819 860 HA ARG 101 HA ARG 101 11.368 26.740 22.152 861 HB2 ARG 101 HB2 ARG 101 11.284 29.130 21.549 862 HB3 ARG 101 HB3 ARG 101 10.139 28.729 22.808 863 HG2 ARG 101 HG2 ARG 101 12.791 30.110 23.314 864 HG3 ARG 101 HG3 ARG 101 11.270 30.960 23.058 865 HD2 ARG 101 HD2 ARG 101 10.337 29.995 25.074 866 HD3 ARG 101 HD3 ARG 101 11.762 28.977 25.295 867 HE ARG 101 HE ARG 101 12.646 31.619 25.251 868 HH11 ARG 101 HH11 ARG 101 10.520 29.688 27.294 869 HH12 ARG 101 HH12 ARG 101 10.959 30.527 28.742 870 HH21 ARG 101 HH21 ARG 101 13.201 32.702 27.180 871 HH22 ARG 101 HH22 ARG 101 12.469 32.227 28.679 872 H GLU 102 H GLU 102 13.172 25.720 21.485 873 HA GLU 102 HA GLU 102 15.617 27.334 21.103 874 HB2 GLU 102 HB2 GLU 102 15.500 24.367 21.833 875 HB3 GLU 102 HB3 GLU 102 16.960 25.235 21.367 876 HG2 GLU 102 HG2 GLU 102 16.676 26.700 23.380 877 HG3 GLU 102 HG3 GLU 102 15.285 25.722 23.854 878 H SER 103 H SER 103 15.594 27.724 19.009 879 HA SER 103 HA SER 103 15.340 25.563 17.025 880 HB2 SER 103 HB2 SER 103 14.001 27.120 15.560 881 HB3 SER 103 HB3 SER 103 13.134 26.667 17.029 882 HG SER 103 HG SER 103 13.739 28.671 17.925 883 H LYS 104 H LYS 104 16.187 28.936 17.720 884 HA LYS 104 HA LYS 104 18.020 30.198 17.383 885 HB2 LYS 104 HB2 LYS 104 19.252 27.952 17.805 886 HB3 LYS 104 HB3 LYS 104 19.449 27.876 16.065 887 HG2 LYS 104 HG2 LYS 104 21.477 28.771 16.919 888 HG3 LYS 104 HG3 LYS 104 20.612 30.129 16.189 889 HD2 LYS 104 HD2 LYS 104 19.840 30.856 18.418 890 HD3 LYS 104 HD3 LYS 104 20.636 29.469 19.163 891 HE2 LYS 104 HE2 LYS 104 22.836 30.380 18.321 892 HE3 LYS 104 HE3 LYS 104 21.965 31.821 17.781 893 HZ1 LYS 104 HZ1 LYS 104 22.932 32.176 19.949 894 HZ2 LYS 104 HZ2 LYS 104 22.138 30.822 20.577 895 HZ3 LYS 104 HZ3 LYS 104 21.246 32.169 20.079 896 H LYS 105 H LYS 105 18.271 28.054 14.556 897 HA LYS 105 HA LYS 105 17.906 30.286 12.682 898 HB2 LYS 105 HB2 LYS 105 19.829 28.760 12.357 899 HB3 LYS 105 HB3 LYS 105 18.743 27.379 12.285 900 HG2 LYS 105 HG2 LYS 105 17.797 28.195 10.175 901 HG3 LYS 105 HG3 LYS 105 18.800 29.647 10.268 902 HD2 LYS 105 HD2 LYS 105 19.750 27.974 8.704 903 HD3 LYS 105 HD3 LYS 105 20.837 28.299 10.058 904 HE2 LYS 105 HE2 LYS 105 20.068 26.205 11.157 905 HE3 LYS 105 HE3 LYS 105 19.001 25.884 9.788 906 HZ1 LYS 105 HZ1 LYS 105 21.957 26.088 9.659 907 HZ2 LYS 105 HZ2 LYS 105 20.929 25.740 8.362 908 HZ3 LYS 105 HZ3 LYS 105 21.065 24.653 9.651 909 H LYS 106 H LYS 106 16.310 30.069 10.946 910 HA LYS 106 HA LYS 106 13.768 29.108 11.766 911 HB2 LYS 106 HB2 LYS 106 12.885 29.921 9.686 912 HB3 LYS 106 HB3 LYS 106 14.113 31.067 10.197 913 HG2 LYS 106 HG2 LYS 106 14.701 28.893 8.171 914 HG3 LYS 106 HG3 LYS 106 13.998 30.436 7.699 915 HD2 LYS 106 HD2 LYS 106 16.639 30.179 9.184 916 HD3 LYS 106 HD3 LYS 106 16.511 30.235 7.423 917 HE2 LYS 106 HE2 LYS 106 15.584 32.413 9.333 918 HE3 LYS 106 HE3 LYS 106 17.056 32.444 8.362 919 HZ1 LYS 106 HZ1 LYS 106 15.223 33.713 7.361 920 HZ2 LYS 106 HZ2 LYS 106 14.312 32.296 7.232 921 HZ3 LYS 106 HZ3 LYS 106 15.753 32.455 6.363 922 H LYS 107 H LYS 107 12.424 27.589 10.542 923 HA LYS 107 HA LYS 107 13.902 25.116 9.852 924 HB2 LYS 107 HB2 LYS 107 12.558 25.140 12.001 925 HB3 LYS 107 HB3 LYS 107 11.116 25.446 11.053 926 HG2 LYS 107 HG2 LYS 107 11.017 23.156 11.571 927 HG3 LYS 107 HG3 LYS 107 11.569 23.195 9.898 928 HD2 LYS 107 HD2 LYS 107 13.507 22.945 12.230 929 HD3 LYS 107 HD3 LYS 107 12.723 21.533 11.533 930 HE2 LYS 107 HE2 LYS 107 13.782 22.055 9.343 931 HE3 LYS 107 HE3 LYS 107 14.572 23.453 10.071 932 HZ1 LYS 107 HZ1 LYS 107 16.037 21.542 9.944 933 HZ2 LYS 107 HZ2 LYS 107 14.977 20.635 10.902 934 HZ3 LYS 107 HZ3 LYS 107 15.759 21.988 11.549 935 H LEU 108 H LEU 108 12.941 23.772 8.145 936 HA LEU 108 HA LEU 108 11.907 25.314 5.954 937 HB2 LEU 108 HB2 LEU 108 13.511 23.302 5.782 938 HB3 LEU 108 HB3 LEU 108 12.128 22.274 6.052 939 HG LEU 108 HG LEU 108 12.873 22.464 3.643 940 HD11 LEU 108 HD11 LEU 108 10.033 23.384 4.080 941 HD12 LEU 108 HD12 LEU 108 10.605 21.714 4.151 942 HD13 LEU 108 HD13 LEU 108 10.686 22.604 2.632 943 HD21 LEU 108 HD21 LEU 108 13.498 24.824 3.617 944 HD22 LEU 108 HD22 LEU 108 11.807 25.297 3.807 945 HD23 LEU 108 HD23 LEU 108 12.336 24.459 2.343 946 H TRP 109 H TRP 109 9.852 25.887 5.793 947 HA TRP 109 HA TRP 109 7.699 24.048 6.642 948 HB2 TRP 109 HB2 TRP 109 7.733 27.068 6.268 949 HB3 TRP 109 HB3 TRP 109 6.241 26.152 6.420 950 HD1 TRP 109 HD1 TRP 109 9.510 26.365 8.544 951 HE1 TRP 109 HE1 TRP 109 8.838 26.579 11.002 952 HE3 TRP 109 HE3 TRP 109 4.427 26.215 8.009 953 HZ2 TRP 109 HZ2 TRP 109 6.481 26.695 12.538 954 HZ3 TRP 109 HZ3 TRP 109 3.027 26.400 10.032 955 HH2 TRP 109 HH2 TRP 109 4.037 26.643 12.256 956 H MET 110 H MET 110 5.788 24.071 5.185 957 HA MET 110 HA MET 110 6.309 24.525 2.355 958 HB2 MET 110 HB2 MET 110 5.566 22.077 1.893 959 HB3 MET 110 HB3 MET 110 7.209 22.345 2.449 960 HG2 MET 110 HG2 MET 110 6.611 21.657 4.703 961 HG3 MET 110 HG3 MET 110 4.923 21.473 4.230 962 HE1 MET 110 HE1 MET 110 3.981 19.530 2.822 963 HE2 MET 110 HE2 MET 110 4.966 18.347 1.953 964 HE3 MET 110 HE3 MET 110 4.979 20.038 1.451 965 H ALA 111 H ALA 111 4.558 25.117 1.317 966 HA ALA 111 HA ALA 111 1.958 25.164 2.692 967 HB1 ALA 111 HB1 ALA 111 2.838 27.335 2.060 968 HB2 ALA 111 HB2 ALA 111 1.433 26.976 1.060 969 HB3 ALA 111 HB3 ALA 111 3.063 26.815 0.392 970 H ILE 112 H ILE 112 0.868 23.374 2.132 971 HA ILE 112 HA ILE 112 1.021 22.194 -0.547 972 HB ILE 112 HB ILE 112 -0.650 21.248 1.828 973 HG12 ILE 112 HG12 ILE 112 2.193 20.310 1.223 974 HG13 ILE 112 HG13 ILE 112 1.785 21.461 2.493 975 HG21 ILE 112 HG21 ILE 112 0.431 19.725 -0.564 976 HG22 ILE 112 HG22 ILE 112 -1.239 20.249 -0.333 977 HG23 ILE 112 HG23 ILE 112 -0.538 19.042 0.745 978 HD11 ILE 112 HD11 ILE 112 0.828 18.595 2.341 979 HD12 ILE 112 HD12 ILE 112 0.432 19.754 3.616 980 HD13 ILE 112 HD13 ILE 112 2.098 19.225 3.390 981 H GLU 113 H GLU 113 -0.485 22.848 -2.103 982 HA GLU 113 HA GLU 113 -2.796 24.432 -1.313 983 HB2 GLU 113 HB2 GLU 113 -1.709 25.068 -3.397 984 HB3 GLU 113 HB3 GLU 113 -1.889 23.443 -4.054 985 HG2 GLU 113 HG2 GLU 113 -4.338 23.722 -4.115 986 HG3 GLU 113 HG3 GLU 113 -4.183 25.332 -3.413 987 H LEU 114 H LEU 114 -4.450 23.402 -0.416 988 HA LEU 114 HA LEU 114 -5.285 20.747 -1.311 989 HB2 LEU 114 HB2 LEU 114 -5.750 22.414 1.156 990 HB3 LEU 114 HB3 LEU 114 -6.991 21.256 0.727 991 HG LEU 114 HG LEU 114 -5.524 20.213 2.320 992 HD11 LEU 114 HD11 LEU 114 -6.367 18.756 0.623 993 HD12 LEU 114 HD12 LEU 114 -4.719 18.286 1.001 994 HD13 LEU 114 HD13 LEU 114 -5.054 19.167 -0.483 995 HD21 LEU 114 HD21 LEU 114 -3.129 19.868 1.938 996 HD22 LEU 114 HD22 LEU 114 -3.521 21.587 2.032 997 HD23 LEU 114 HD23 LEU 114 -3.211 20.839 0.463 998 H GLU 115 H GLU 115 -6.562 20.786 -3.049 999 HA GLU 115 HA GLU 115 -8.905 22.627 -3.096 1000 HB2 GLU 115 HB2 GLU 115 -8.760 22.788 -5.496 1001 HB3 GLU 115 HB3 GLU 115 -7.150 23.153 -4.865 1002 HG2 GLU 115 HG2 GLU 115 -6.343 20.955 -5.472 1003 HG3 GLU 115 HG3 GLU 115 -7.964 20.445 -5.958 1004 H ASP 116 H ASP 116 -10.664 21.709 -4.524 1005 HA ASP 116 HA ASP 116 -12.224 20.171 -5.077 1006 HB2 ASP 116 HB2 ASP 116 -10.275 19.470 -6.572 1007 HB3 ASP 116 HB3 ASP 116 -9.873 18.239 -5.378 1008 H VAL 117 H VAL 117 -11.975 20.609 -2.431 1009 HA VAL 117 HA VAL 117 -11.412 18.325 -0.842 1010 HB VAL 117 HB VAL 117 -12.897 20.850 -0.014 1011 HG11 VAL 117 HG11 VAL 117 -11.449 18.774 1.664 1012 HG12 VAL 117 HG12 VAL 117 -13.200 18.962 1.551 1013 HG13 VAL 117 HG13 VAL 117 -12.220 20.244 2.278 1014 HG21 VAL 117 HG21 VAL 117 -9.919 20.237 0.167 1015 HG22 VAL 117 HG22 VAL 117 -10.716 21.677 0.798 1016 HG23 VAL 117 HG23 VAL 117 -10.663 21.392 -0.942 1017 H LYS 118 H LYS 118 -12.640 16.593 -0.866 1018 HA LYS 118 HA LYS 118 -15.517 16.677 -1.409 1019 HB2 LYS 118 HB2 LYS 118 -14.097 15.149 -2.701 1020 HB3 LYS 118 HB3 LYS 118 -13.511 14.395 -1.233 1021 HG2 LYS 118 HG2 LYS 118 -15.115 12.914 -2.238 1022 HG3 LYS 118 HG3 LYS 118 -15.818 13.569 -0.758 1023 HD2 LYS 118 HD2 LYS 118 -17.477 13.480 -2.573 1024 HD3 LYS 118 HD3 LYS 118 -17.171 15.147 -2.079 1025 HE2 LYS 118 HE2 LYS 118 -17.319 14.889 -4.545 1026 HE3 LYS 118 HE3 LYS 118 -15.751 15.501 -4.020 1027 HZ1 LYS 118 HZ1 LYS 118 -15.550 13.797 -5.741 1028 HZ2 LYS 118 HZ2 LYS 118 -16.317 12.670 -4.742 1029 HZ3 LYS 118 HZ3 LYS 118 -14.812 13.304 -4.305 1030 H LYS 119 H LYS 119 -16.794 16.915 0.367 1031 HA LYS 119 HA LYS 119 -16.196 15.849 2.975 1032 HB2 LYS 119 HB2 LYS 119 -18.547 17.254 1.709 1033 HB3 LYS 119 HB3 LYS 119 -18.861 16.325 3.165 1034 HG2 LYS 119 HG2 LYS 119 -16.721 18.467 3.020 1035 HG3 LYS 119 HG3 LYS 119 -18.387 18.806 3.496 1036 HD2 LYS 119 HD2 LYS 119 -16.472 16.889 4.909 1037 HD3 LYS 119 HD3 LYS 119 -16.934 18.498 5.467 1038 HE2 LYS 119 HE2 LYS 119 -19.351 17.634 5.520 1039 HE3 LYS 119 HE3 LYS 119 -18.666 16.022 5.290 1040 HZ1 LYS 119 HZ1 LYS 119 -17.516 16.184 7.322 1041 HZ2 LYS 119 HZ2 LYS 119 -19.115 16.643 7.626 1042 HZ3 LYS 119 HZ3 LYS 119 -17.902 17.818 7.508 1043 H TYR 120 H TYR 120 -16.754 13.899 3.813 1044 HA TYR 120 HA TYR 120 -17.868 11.860 2.083 1045 HB2 TYR 120 HB2 TYR 120 -16.934 11.750 4.982 1046 HB3 TYR 120 HB3 TYR 120 -17.577 10.358 4.102 1047 HD1 TYR 120 HD1 TYR 120 -16.235 11.051 1.375 1048 HD2 TYR 120 HD2 TYR 120 -14.717 10.835 5.366 1049 HE1 TYR 120 HE1 TYR 120 -14.014 10.476 0.507 1050 HE2 TYR 120 HE2 TYR 120 -12.502 10.271 4.479 1051 HH TYR 120 HH TYR 120 -11.522 9.291 2.510 1052 H ASP 121 H ASP 121 -19.936 11.893 1.704 1053 HA ASP 121 HA ASP 121 -22.056 12.907 3.258 1054 HB2 ASP 121 HB2 ASP 121 -22.217 12.539 0.819 1055 HB3 ASP 121 HB3 ASP 121 -22.022 10.807 1.039 1056 H LYS 122 H LYS 122 -20.306 9.968 3.501 1057 HA LYS 122 HA LYS 122 -22.266 8.711 5.304 1058 HB2 LYS 122 HB2 LYS 122 -21.464 6.522 4.362 1059 HB3 LYS 122 HB3 LYS 122 -22.290 7.539 3.186 1060 HG2 LYS 122 HG2 LYS 122 -19.998 8.291 2.364 1061 HG3 LYS 122 HG3 LYS 122 -19.298 7.058 3.414 1062 HD2 LYS 122 HD2 LYS 122 -19.469 6.222 1.123 1063 HD3 LYS 122 HD3 LYS 122 -20.548 5.307 2.184 1064 HE2 LYS 122 HE2 LYS 122 -22.455 6.723 1.400 1065 HE3 LYS 122 HE3 LYS 122 -21.358 7.549 0.292 1066 HZ1 LYS 122 HZ1 LYS 122 -22.593 5.841 -0.832 1067 HZ2 LYS 122 HZ2 LYS 122 -22.046 4.667 0.250 1068 HZ3 LYS 122 HZ3 LYS 122 -20.958 5.418 -0.794 1069 HA PRO 123 HA PRO 123 -18.880 8.345 8.330 1070 HB2 PRO 123 HB2 PRO 123 -20.145 5.674 8.917 1071 HB3 PRO 123 HB3 PRO 123 -19.722 6.990 10.023 1072 HG2 PRO 123 HG2 PRO 123 -22.263 6.564 9.326 1073 HG3 PRO 123 HG3 PRO 123 -21.641 8.219 9.506 1074 HD2 PRO 123 HD2 PRO 123 -22.174 6.659 6.981 1075 HD3 PRO 123 HD3 PRO 123 -22.449 8.377 7.332 1076 H ILE 124 H ILE 124 -17.076 8.075 6.945 1077 HA ILE 124 HA ILE 124 -16.354 5.329 6.123 1078 HB ILE 124 HB ILE 124 -15.100 7.989 5.318 1079 HG12 ILE 124 HG12 ILE 124 -16.897 6.009 3.867 1080 HG13 ILE 124 HG13 ILE 124 -17.223 7.707 4.205 1081 HG21 ILE 124 HG21 ILE 124 -13.664 6.702 3.765 1082 HG22 ILE 124 HG22 ILE 124 -14.318 5.191 4.396 1083 HG23 ILE 124 HG23 ILE 124 -13.353 6.236 5.440 1084 HD11 ILE 124 HD11 ILE 124 -16.749 7.413 1.891 1085 HD12 ILE 124 HD12 ILE 124 -15.241 6.576 2.248 1086 HD13 ILE 124 HD13 ILE 124 -15.407 8.293 2.622 1087 H LYS 125 H LYS 125 -15.365 4.259 7.659 1088 HA LYS 125 HA LYS 125 -13.996 5.526 9.854 1089 HB2 LYS 125 HB2 LYS 125 -13.792 3.378 10.854 1090 HB3 LYS 125 HB3 LYS 125 -15.342 3.346 10.034 1091 HG2 LYS 125 HG2 LYS 125 -12.811 2.117 8.890 1092 HG3 LYS 125 HG3 LYS 125 -13.951 1.226 9.894 1093 HD2 LYS 125 HD2 LYS 125 -14.601 2.514 7.212 1094 HD3 LYS 125 HD3 LYS 125 -14.261 0.799 7.463 1095 HE2 LYS 125 HE2 LYS 125 -16.251 0.659 8.962 1096 HE3 LYS 125 HE3 LYS 125 -16.606 2.356 8.622 1097 HZ1 LYS 125 HZ1 LYS 125 -16.523 0.170 6.611 1098 HZ2 LYS 125 HZ2 LYS 125 -16.900 1.786 6.300 1099 HZ3 LYS 125 HZ3 LYS 125 -17.921 0.856 7.270 1100 HA PRO 126 HA PRO 126 -9.826 5.369 8.117 1101 HB2 PRO 126 HB2 PRO 126 -8.287 5.368 10.358 1102 HB3 PRO 126 HB3 PRO 126 -9.225 6.795 9.874 1103 HG2 PRO 126 HG2 PRO 126 -9.957 4.640 11.869 1104 HG3 PRO 126 HG3 PRO 126 -10.011 6.405 12.064 1105 HD2 PRO 126 HD2 PRO 126 -12.234 4.992 11.444 1106 HD3 PRO 126 HD3 PRO 126 -11.966 6.625 10.788 1107 H LYS 127 H LYS 127 -7.967 3.991 7.957 1108 HA LYS 127 HA LYS 127 -8.409 1.185 8.223 1109 HB2 LYS 127 HB2 LYS 127 -6.780 2.624 6.591 1110 HB3 LYS 127 HB3 LYS 127 -5.601 2.253 7.835 1111 HG2 LYS 127 HG2 LYS 127 -7.211 0.201 6.270 1112 HG3 LYS 127 HG3 LYS 127 -5.541 0.655 5.924 1113 HD2 LYS 127 HD2 LYS 127 -4.793 -0.284 8.047 1114 HD3 LYS 127 HD3 LYS 127 -6.456 -0.580 8.555 1115 HE2 LYS 127 HE2 LYS 127 -6.705 -2.218 6.699 1116 HE3 LYS 127 HE3 LYS 127 -5.016 -1.953 6.257 1117 HZ1 LYS 127 HZ1 LYS 127 -4.358 -2.768 8.429 1118 HZ2 LYS 127 HZ2 LYS 127 -5.299 -3.921 7.625 1119 HZ3 LYS 127 HZ3 LYS 127 -5.974 -2.996 8.867 1120 H ARG 128 H ARG 128 -6.564 3.638 9.993 1121 HA ARG 128 HA ARG 128 -6.670 2.113 12.460 1122 HB2 ARG 128 HB2 ARG 128 -4.285 2.080 12.906 1123 HB3 ARG 128 HB3 ARG 128 -4.560 1.302 11.349 1124 HG2 ARG 128 HG2 ARG 128 -3.826 3.368 10.188 1125 HG3 ARG 128 HG3 ARG 128 -3.537 4.149 11.750 1126 HD2 ARG 128 HD2 ARG 128 -1.867 2.338 12.266 1127 HD3 ARG 128 HD3 ARG 128 -2.102 1.713 10.628 1128 HE ARG 128 HE ARG 128 -1.249 4.501 10.978 1129 HH11 ARG 128 HH11 ARG 128 -0.402 1.250 9.931 1130 HH12 ARG 128 HH12 ARG 128 1.101 1.743 9.227 1131 HH21 ARG 128 HH21 ARG 128 0.704 5.123 10.052 1132 HH22 ARG 128 HH22 ARG 128 1.720 3.946 9.288 1133 H LEU 129 H LEU 129 -5.503 3.430 14.229 1134 HA LEU 129 HA LEU 129 -6.606 5.953 14.566 1135 HB2 LEU 129 HB2 LEU 129 -5.255 6.184 16.544 1136 HB3 LEU 129 HB3 LEU 129 -5.771 4.515 16.421 1137 HG LEU 129 HG LEU 129 -2.966 5.517 15.736 1138 HD11 LEU 129 HD11 LEU 129 -2.244 4.434 17.816 1139 HD12 LEU 129 HD12 LEU 129 -3.923 4.052 18.213 1140 HD13 LEU 129 HD13 LEU 129 -3.393 5.735 18.123 1141 HD21 LEU 129 HD21 LEU 129 -3.508 3.478 14.484 1142 HD22 LEU 129 HD22 LEU 129 -3.972 2.659 15.977 1143 HD23 LEU 129 HD23 LEU 129 -2.295 3.152 15.722 1144 H VAL 130 H VAL 130 -6.022 7.999 14.040 1145 HA VAL 130 HA VAL 130 -3.414 8.481 12.717 1146 HB VAL 130 HB VAL 130 -6.003 9.965 12.086 1147 HG11 VAL 130 HG11 VAL 130 -3.317 10.027 10.657 1148 HG12 VAL 130 HG12 VAL 130 -3.983 11.307 11.671 1149 HG13 VAL 130 HG13 VAL 130 -4.776 10.890 10.152 1150 HG21 VAL 130 HG21 VAL 130 -6.085 8.738 9.940 1151 HG22 VAL 130 HG22 VAL 130 -6.220 7.636 11.313 1152 HG23 VAL 130 HG23 VAL 130 -4.692 7.768 10.438 1153 HA PRO 131 HA PRO 131 -3.343 11.271 16.417 1154 HB2 PRO 131 HB2 PRO 131 -0.662 11.268 16.804 1155 HB3 PRO 131 HB3 PRO 131 -1.655 9.874 17.256 1156 HG2 PRO 131 HG2 PRO 131 -0.013 10.288 14.751 1157 HG3 PRO 131 HG3 PRO 131 -0.069 8.871 15.825 1158 HD2 PRO 131 HD2 PRO 131 -1.503 8.997 13.503 1159 HD3 PRO 131 HD3 PRO 131 -2.079 8.102 14.928 1160 H VAL 132 H VAL 132 -1.690 13.230 16.803 1161 HA VAL 132 HA VAL 132 -2.414 15.199 14.924 1162 HB VAL 132 HB VAL 132 -2.088 15.616 17.366 1163 HG11 VAL 132 HG11 VAL 132 0.899 15.483 16.804 1164 HG12 VAL 132 HG12 VAL 132 -0.029 14.311 17.742 1165 HG13 VAL 132 HG13 VAL 132 0.153 15.966 18.331 1166 HG21 VAL 132 HG21 VAL 132 -0.440 17.460 15.593 1167 HG22 VAL 132 HG22 VAL 132 -1.095 17.879 17.178 1168 HG23 VAL 132 HG23 VAL 132 -2.187 17.538 15.834 1169 H GLY 133 H GLY 133 0.501 13.277 15.238 1170 HA2 GLY 133 HA2 GLY 133 2.196 14.755 13.458 1171 HA3 GLY 133 HA3 GLY 133 2.414 13.086 13.974 1172 H GLY 134 H GLY 134 -0.380 12.475 12.998 1173 HA2 GLY 134 HA2 GLY 134 -1.615 12.055 11.110 1174 HA3 GLY 134 HA3 GLY 134 -0.490 13.013 10.168 1175 H GLN 135 H GLN 135 -1.719 10.405 9.530 1176 HA GLN 135 HA GLN 135 0.655 8.618 9.383 1177 HB2 GLN 135 HB2 GLN 135 -2.285 7.891 8.940 1178 HB3 GLN 135 HB3 GLN 135 -0.931 6.765 8.961 1179 HG2 GLN 135 HG2 GLN 135 -1.958 8.372 11.314 1180 HG3 GLN 135 HG3 GLN 135 -2.251 6.659 11.023 1181 HE21 GLN 135 HE21 GLN 135 0.074 9.044 12.056 1182 HE22 GLN 135 HE22 GLN 135 1.234 7.943 12.700 1183 H TYR 136 H TYR 136 1.194 7.716 7.339 1184 HA TYR 136 HA TYR 136 0.290 9.253 5.018 1185 HB2 TYR 136 HB2 TYR 136 2.743 7.704 5.640 1186 HB3 TYR 136 HB3 TYR 136 2.144 7.402 4.015 1187 HD1 TYR 136 HD1 TYR 136 1.501 9.560 2.614 1188 HD2 TYR 136 HD2 TYR 136 4.163 9.607 5.960 1189 HE1 TYR 136 HE1 TYR 136 2.471 11.670 1.813 1190 HE2 TYR 136 HE2 TYR 136 5.118 11.720 5.157 1191 HH TYR 136 HH TYR 136 5.367 12.952 3.094 1192 H LEU 137 H LEU 137 -1.215 8.598 3.737 1193 HA LEU 137 HA LEU 137 -2.374 5.929 3.902 1194 HB2 LEU 137 HB2 LEU 137 -3.527 8.403 3.716 1195 HB3 LEU 137 HB3 LEU 137 -3.448 8.014 2.013 1196 HG LEU 137 HG LEU 137 -4.939 6.444 4.159 1197 HD11 LEU 137 HD11 LEU 137 -6.969 7.179 2.983 1198 HD12 LEU 137 HD12 LEU 137 -5.984 8.131 1.866 1199 HD13 LEU 137 HD13 LEU 137 -6.026 8.545 3.582 1200 HD21 LEU 137 HD21 LEU 137 -5.828 5.007 2.400 1201 HD22 LEU 137 HD22 LEU 137 -4.071 4.898 2.419 1202 HD23 LEU 137 HD23 LEU 137 -4.878 5.853 1.178 1203 H ARG 138 H ARG 138 -1.577 4.396 2.546 1204 HA ARG 138 HA ARG 138 -0.747 5.153 -0.184 1205 HB2 ARG 138 HB2 ARG 138 1.222 3.804 -0.164 1206 HB3 ARG 138 HB3 ARG 138 1.304 4.802 1.273 1207 HG2 ARG 138 HG2 ARG 138 0.525 1.868 1.233 1208 HG3 ARG 138 HG3 ARG 138 2.139 2.483 1.599 1209 HD2 ARG 138 HD2 ARG 138 1.272 3.610 3.598 1210 HD3 ARG 138 HD3 ARG 138 -0.374 3.081 3.212 1211 HE ARG 138 HE ARG 138 1.872 1.268 3.918 1212 HH11 ARG 138 HH11 ARG 138 -1.559 1.960 3.940 1213 HH12 ARG 138 HH12 ARG 138 -1.965 0.513 4.789 1214 HH21 ARG 138 HH21 ARG 138 1.311 -0.650 5.021 1215 HH22 ARG 138 HH22 ARG 138 -0.350 -0.956 5.413 1216 H GLU 139 H GLU 139 -1.661 3.905 -1.760 1217 HA GLU 139 HA GLU 139 -2.859 1.329 -1.080 1218 HB2 GLU 139 HB2 GLU 139 -4.484 3.083 -0.244 1219 HB3 GLU 139 HB3 GLU 139 -4.624 3.682 -1.891 1220 HG2 GLU 139 HG2 GLU 139 -6.528 2.283 -1.354 1221 HG3 GLU 139 HG3 GLU 139 -5.550 1.531 -2.617 Start of MODEL 12 1 H MET 1 H MET 1 2.737 -0.881 0.106 2 HA MET 1 HA MET 1 3.291 -0.080 -2.076 3 HB2 MET 1 HB2 MET 1 0.958 1.401 -0.779 4 HB3 MET 1 HB3 MET 1 1.184 1.234 -2.517 5 HG2 MET 1 HG2 MET 1 -0.467 -0.357 -1.720 6 HG3 MET 1 HG3 MET 1 0.964 -1.216 -2.297 7 HE1 MET 1 HE1 MET 1 -0.046 -3.620 0.583 8 HE2 MET 1 HE2 MET 1 0.485 -3.488 -1.094 9 HE3 MET 1 HE3 MET 1 -1.087 -2.842 -0.613 10 H SER 2 H SER 2 5.150 1.061 -2.447 11 HA SER 2 HA SER 2 5.833 3.579 -1.315 12 HB2 SER 2 HB2 SER 2 6.973 2.224 -3.800 13 HB3 SER 2 HB3 SER 2 7.755 3.502 -2.861 14 HG SER 2 HG SER 2 8.603 1.616 -2.127 15 H LYS 3 H LYS 3 3.845 2.741 -3.988 16 HA LYS 3 HA LYS 3 3.963 5.037 -5.613 17 HB2 LYS 3 HB2 LYS 3 1.707 4.346 -6.402 18 HB3 LYS 3 HB3 LYS 3 2.834 2.992 -6.348 19 HG2 LYS 3 HG2 LYS 3 1.836 2.194 -4.257 20 HG3 LYS 3 HG3 LYS 3 0.734 3.579 -4.218 21 HD2 LYS 3 HD2 LYS 3 0.785 1.476 -6.420 22 HD3 LYS 3 HD3 LYS 3 -0.303 1.442 -5.031 23 HE2 LYS 3 HE2 LYS 3 -1.173 3.704 -5.772 24 HE3 LYS 3 HE3 LYS 3 -0.230 3.508 -7.258 25 HZ1 LYS 3 HZ1 LYS 3 -2.495 2.811 -7.574 26 HZ2 LYS 3 HZ2 LYS 3 -2.394 1.735 -6.275 27 HZ3 LYS 3 HZ3 LYS 3 -1.487 1.455 -7.676 28 H ILE 4 H ILE 4 2.494 4.498 -2.491 29 HA ILE 4 HA ILE 4 1.276 5.710 -1.034 30 HB ILE 4 HB ILE 4 2.125 8.177 -2.645 31 HG12 ILE 4 HG12 ILE 4 4.115 6.810 -2.118 32 HG13 ILE 4 HG13 ILE 4 4.132 8.292 -1.179 33 HG21 ILE 4 HG21 ILE 4 0.491 8.817 -0.952 34 HG22 ILE 4 HG22 ILE 4 2.079 9.371 -0.426 35 HG23 ILE 4 HG23 ILE 4 1.366 7.924 0.292 36 HD11 ILE 4 HD11 ILE 4 3.367 5.548 -0.171 37 HD12 ILE 4 HD12 ILE 4 3.348 7.031 0.790 38 HD13 ILE 4 HD13 ILE 4 4.870 6.415 0.149 39 H VAL 5 H VAL 5 -0.708 7.557 -1.144 40 HA VAL 5 HA VAL 5 -1.769 7.979 -3.823 41 HB VAL 5 HB VAL 5 -4.204 7.824 -2.922 42 HG11 VAL 5 HG11 VAL 5 -4.477 5.441 -3.491 43 HG12 VAL 5 HG12 VAL 5 -2.728 5.203 -3.379 44 HG13 VAL 5 HG13 VAL 5 -3.399 6.260 -4.627 45 HG21 VAL 5 HG21 VAL 5 -2.914 6.012 -0.851 46 HG22 VAL 5 HG22 VAL 5 -4.649 6.188 -1.124 47 HG23 VAL 5 HG23 VAL 5 -3.705 7.557 -0.533 48 H GLY 6 H GLY 6 -1.921 8.651 -0.341 49 HA2 GLY 6 HA2 GLY 6 -1.381 11.438 -0.715 50 HA3 GLY 6 HA3 GLY 6 -3.053 11.143 -0.241 51 H VAL 7 H VAL 7 -2.348 12.472 1.623 52 HA VAL 7 HA VAL 7 -1.350 10.716 3.801 53 HB VAL 7 HB VAL 7 0.240 12.608 3.222 54 HG11 VAL 7 HG11 VAL 7 -1.377 14.352 2.610 55 HG12 VAL 7 HG12 VAL 7 -0.296 14.921 3.883 56 HG13 VAL 7 HG13 VAL 7 -1.945 14.436 4.282 57 HG21 VAL 7 HG21 VAL 7 0.332 11.584 5.456 58 HG22 VAL 7 HG22 VAL 7 -0.898 12.708 6.042 59 HG23 VAL 7 HG23 VAL 7 0.688 13.312 5.555 60 H THR 8 H THR 8 -2.392 11.064 5.873 61 HA THR 8 HA THR 8 -4.946 12.552 5.815 62 HB THR 8 HB THR 8 -5.591 10.225 5.665 63 HG1 THR 8 HG1 THR 8 -6.770 11.561 7.172 64 HG21 THR 8 HG21 THR 8 -3.870 9.668 8.109 65 HG22 THR 8 HG22 THR 8 -3.550 9.115 6.461 66 HG23 THR 8 HG23 THR 8 -4.962 8.517 7.336 67 H TYR 9 H TYR 9 -5.288 13.883 7.520 68 HA TYR 9 HA TYR 9 -3.473 13.758 9.829 69 HB2 TYR 9 HB2 TYR 9 -3.714 15.980 7.873 70 HB3 TYR 9 HB3 TYR 9 -3.887 16.517 9.535 71 HD1 TYR 9 HD1 TYR 9 -2.017 16.187 11.156 72 HD2 TYR 9 HD2 TYR 9 -1.524 15.274 7.004 73 HE1 TYR 9 HE1 TYR 9 0.418 16.192 11.449 74 HE2 TYR 9 HE2 TYR 9 0.917 15.276 7.304 75 HH TYR 9 HH TYR 9 2.406 15.079 10.252 76 HA PRO 10 HA PRO 10 -7.299 14.799 12.051 77 HB2 PRO 10 HB2 PRO 10 -6.506 14.056 14.490 78 HB3 PRO 10 HB3 PRO 10 -6.730 12.837 13.227 79 HG2 PRO 10 HG2 PRO 10 -4.188 13.998 14.304 80 HG3 PRO 10 HG3 PRO 10 -4.519 12.350 13.740 81 HD2 PRO 10 HD2 PRO 10 -3.321 14.473 12.223 82 HD3 PRO 10 HD3 PRO 10 -3.821 12.881 11.621 83 H ILE 11 H ILE 11 -6.781 17.013 11.378 84 HA ILE 11 HA ILE 11 -4.885 18.682 12.572 85 HB ILE 11 HB ILE 11 -7.506 19.461 11.223 86 HG12 ILE 11 HG12 ILE 11 -4.697 19.214 10.045 87 HG13 ILE 11 HG13 ILE 11 -5.979 18.030 9.831 88 HG21 ILE 11 HG21 ILE 11 -6.619 21.359 12.528 89 HG22 ILE 11 HG22 ILE 11 -6.474 21.672 10.797 90 HG23 ILE 11 HG23 ILE 11 -5.052 21.194 11.729 91 HD11 ILE 11 HD11 ILE 11 -5.740 19.378 7.867 92 HD12 ILE 11 HD12 ILE 11 -5.962 20.860 8.797 93 HD13 ILE 11 HD13 ILE 11 -7.298 19.717 8.620 94 HA PRO 12 HA PRO 12 -7.139 18.900 16.532 95 HB2 PRO 12 HB2 PRO 12 -5.078 19.533 18.133 96 HB3 PRO 12 HB3 PRO 12 -5.149 17.952 17.338 97 HG2 PRO 12 HG2 PRO 12 -3.545 20.386 16.584 98 HG3 PRO 12 HG3 PRO 12 -3.052 18.681 16.588 99 HD2 PRO 12 HD2 PRO 12 -3.905 20.098 14.323 100 HD3 PRO 12 HD3 PRO 12 -3.889 18.326 14.464 101 H LYS 13 H LYS 13 -7.029 21.154 14.607 102 HA LYS 13 HA LYS 13 -7.711 23.344 16.436 103 HB2 LYS 13 HB2 LYS 13 -6.131 23.562 13.822 104 HB3 LYS 13 HB3 LYS 13 -6.870 24.943 14.631 105 HG2 LYS 13 HG2 LYS 13 -4.737 23.159 15.852 106 HG3 LYS 13 HG3 LYS 13 -4.438 24.734 15.104 107 HD2 LYS 13 HD2 LYS 13 -5.656 25.893 16.832 108 HD3 LYS 13 HD3 LYS 13 -6.348 24.394 17.458 109 HE2 LYS 13 HE2 LYS 13 -3.402 25.148 17.583 110 HE3 LYS 13 HE3 LYS 13 -4.548 25.258 18.921 111 HZ1 LYS 13 HZ1 LYS 13 -3.698 22.775 17.533 112 HZ2 LYS 13 HZ2 LYS 13 -4.892 22.848 18.725 113 HZ3 LYS 13 HZ3 LYS 13 -3.295 23.245 19.107 114 H ARG 14 H ARG 14 -9.460 24.579 15.746 115 HA ARG 14 HA ARG 14 -11.525 23.280 14.354 116 HB2 ARG 14 HB2 ARG 14 -11.826 24.988 16.172 117 HB3 ARG 14 HB3 ARG 14 -11.288 26.236 15.058 118 HG2 ARG 14 HG2 ARG 14 -13.713 26.274 15.260 119 HG3 ARG 14 HG3 ARG 14 -13.253 25.806 13.620 120 HD2 ARG 14 HD2 ARG 14 -13.645 23.413 14.237 121 HD3 ARG 14 HD3 ARG 14 -14.191 23.945 15.834 122 HE ARG 14 HE ARG 14 -15.641 25.289 13.823 123 HH11 ARG 14 HH11 ARG 14 -15.437 22.098 15.251 124 HH12 ARG 14 HH12 ARG 14 -17.093 21.720 14.914 125 HH21 ARG 14 HH21 ARG 14 -17.783 24.766 13.344 126 HH22 ARG 14 HH22 ARG 14 -18.419 23.224 13.820 127 H PHE 15 H PHE 15 -8.890 25.082 13.157 128 HA PHE 15 HA PHE 15 -10.041 26.331 10.856 129 HB2 PHE 15 HB2 PHE 15 -7.120 25.687 11.420 130 HB3 PHE 15 HB3 PHE 15 -7.722 26.869 10.262 131 HD1 PHE 15 HD1 PHE 15 -9.159 28.824 11.217 132 HD2 PHE 15 HD2 PHE 15 -6.621 26.378 13.632 133 HE1 PHE 15 HE1 PHE 15 -9.177 30.532 12.976 134 HE2 PHE 15 HE2 PHE 15 -6.644 28.092 15.391 135 HZ PHE 15 HZ PHE 15 -7.923 30.170 15.066 136 H MET 16 H MET 16 -9.663 23.083 11.382 137 HA MET 16 HA MET 16 -9.022 22.136 8.770 138 HB2 MET 16 HB2 MET 16 -9.111 20.687 10.796 139 HB3 MET 16 HB3 MET 16 -10.849 20.925 10.891 140 HG2 MET 16 HG2 MET 16 -11.099 19.773 8.702 141 HG3 MET 16 HG3 MET 16 -9.354 19.503 8.670 142 HE1 MET 16 HE1 MET 16 -12.722 18.719 10.583 143 HE2 MET 16 HE2 MET 16 -11.698 19.353 11.872 144 HE3 MET 16 HE3 MET 16 -12.156 17.651 11.864 145 H ASP 17 H ASP 17 -11.818 23.699 10.151 146 HA ASP 17 HA ASP 17 -13.882 22.957 8.364 147 HB2 ASP 17 HB2 ASP 17 -15.179 24.677 9.334 148 HB3 ASP 17 HB3 ASP 17 -14.042 24.303 10.624 149 H ARG 18 H ARG 18 -11.234 25.168 8.090 150 HA ARG 18 HA ARG 18 -12.151 27.045 6.237 151 HB2 ARG 18 HB2 ARG 18 -9.331 25.981 6.646 152 HB3 ARG 18 HB3 ARG 18 -9.734 27.445 5.750 153 HG2 ARG 18 HG2 ARG 18 -10.154 26.967 8.715 154 HG3 ARG 18 HG3 ARG 18 -8.930 27.998 7.967 155 HD2 ARG 18 HD2 ARG 18 -10.799 29.384 7.008 156 HD3 ARG 18 HD3 ARG 18 -11.936 28.412 7.959 157 HE ARG 18 HE ARG 18 -9.751 30.012 9.154 158 HH11 ARG 18 HH11 ARG 18 -13.051 28.813 9.326 159 HH12 ARG 18 HH12 ARG 18 -13.457 29.817 10.682 160 HH21 ARG 18 HH21 ARG 18 -10.284 31.274 10.948 161 HH22 ARG 18 HH22 ARG 18 -11.891 31.208 11.600 162 H PHE 19 H PHE 19 -10.639 23.897 5.720 163 HA PHE 19 HA PHE 19 -10.303 24.058 2.907 164 HB2 PHE 19 HB2 PHE 19 -10.688 21.582 4.645 165 HB3 PHE 19 HB3 PHE 19 -10.010 21.597 3.023 166 HD1 PHE 19 HD1 PHE 19 -9.373 22.666 6.542 167 HD2 PHE 19 HD2 PHE 19 -7.672 22.004 2.679 168 HE1 PHE 19 HE1 PHE 19 -7.124 22.829 7.507 169 HE2 PHE 19 HE2 PHE 19 -5.425 22.168 3.651 170 HZ PHE 19 HZ PHE 19 -5.145 22.582 6.064 171 H PHE 20 H PHE 20 -12.992 23.170 4.979 172 HA PHE 20 HA PHE 20 -14.672 22.158 2.804 173 HB2 PHE 20 HB2 PHE 20 -15.337 22.551 5.757 174 HB3 PHE 20 HB3 PHE 20 -16.280 21.629 4.592 175 HD1 PHE 20 HD1 PHE 20 -14.781 19.734 3.322 176 HD2 PHE 20 HD2 PHE 20 -14.035 21.274 7.240 177 HE1 PHE 20 HE1 PHE 20 -13.546 17.691 3.890 178 HE2 PHE 20 HE2 PHE 20 -12.799 19.226 7.801 179 HZ PHE 20 HZ PHE 20 -12.554 17.431 6.131 180 H LYS 21 H LYS 21 -13.992 25.160 4.273 181 HA LYS 21 HA LYS 21 -16.594 26.404 3.952 182 HB2 LYS 21 HB2 LYS 21 -15.127 27.052 5.827 183 HB3 LYS 21 HB3 LYS 21 -13.856 27.536 4.718 184 HG2 LYS 21 HG2 LYS 21 -16.540 28.919 4.599 185 HG3 LYS 21 HG3 LYS 21 -15.406 29.337 5.882 186 HD2 LYS 21 HD2 LYS 21 -13.750 30.102 4.287 187 HD3 LYS 21 HD3 LYS 21 -14.664 29.449 2.929 188 HE2 LYS 21 HE2 LYS 21 -16.464 31.082 3.343 189 HE3 LYS 21 HE3 LYS 21 -15.558 31.742 4.705 190 HZ1 LYS 21 HZ1 LYS 21 -13.813 32.396 3.188 191 HZ2 LYS 21 HZ2 LYS 21 -15.288 33.056 2.696 192 HZ3 LYS 21 HZ3 LYS 21 -14.645 31.724 1.881 193 H LYS 22 H LYS 22 -13.380 26.653 2.402 194 HA LYS 22 HA LYS 22 -14.451 28.644 0.487 195 HB2 LYS 22 HB2 LYS 22 -12.128 29.384 0.236 196 HB3 LYS 22 HB3 LYS 22 -12.600 29.361 1.932 197 HG2 LYS 22 HG2 LYS 22 -11.447 27.049 2.033 198 HG3 LYS 22 HG3 LYS 22 -10.752 27.467 0.468 199 HD2 LYS 22 HD2 LYS 22 -9.161 27.991 2.227 200 HD3 LYS 22 HD3 LYS 22 -9.719 29.503 1.504 201 HE2 LYS 22 HE2 LYS 22 -11.136 29.949 3.418 202 HE3 LYS 22 HE3 LYS 22 -10.870 28.332 4.064 203 HZ1 LYS 22 HZ1 LYS 22 -8.595 28.840 4.487 204 HZ2 LYS 22 HZ2 LYS 22 -9.551 30.069 5.175 205 HZ3 LYS 22 HZ3 LYS 22 -8.727 30.339 3.738 206 H GLY 23 H GLY 23 -13.589 25.370 0.564 207 HA2 GLY 23 HA2 GLY 23 -13.871 23.839 -1.172 208 HA3 GLY 23 HA3 GLY 23 -13.876 25.153 -2.333 209 H LYS 24 H LYS 24 -11.435 26.389 -1.770 210 HA LYS 24 HA LYS 24 -9.368 24.284 -1.916 211 HB2 LYS 24 HB2 LYS 24 -9.695 25.228 -4.183 212 HB3 LYS 24 HB3 LYS 24 -9.389 26.849 -3.561 213 HG2 LYS 24 HG2 LYS 24 -7.077 26.187 -2.948 214 HG3 LYS 24 HG3 LYS 24 -7.387 24.554 -3.539 215 HD2 LYS 24 HD2 LYS 24 -6.121 25.816 -5.201 216 HD3 LYS 24 HD3 LYS 24 -7.732 25.448 -5.824 217 HE2 LYS 24 HE2 LYS 24 -8.462 27.749 -5.267 218 HE3 LYS 24 HE3 LYS 24 -6.851 28.113 -4.646 219 HZ1 LYS 24 HZ1 LYS 24 -7.101 28.929 -6.864 220 HZ2 LYS 24 HZ2 LYS 24 -7.542 27.405 -7.431 221 HZ3 LYS 24 HZ3 LYS 24 -5.973 27.671 -6.867 222 H ASP 25 H ASP 25 -8.450 24.419 -0.017 223 HA ASP 25 HA ASP 25 -7.593 27.010 1.123 224 HB2 ASP 25 HB2 ASP 25 -9.126 25.521 2.483 225 HB3 ASP 25 HB3 ASP 25 -7.861 24.306 2.488 226 H VAL 26 H VAL 26 -5.418 26.452 2.574 227 HA VAL 26 HA VAL 26 -3.556 24.723 1.078 228 HB VAL 26 HB VAL 26 -2.970 27.611 1.908 229 HG11 VAL 26 HG11 VAL 26 -1.049 25.575 0.699 230 HG12 VAL 26 HG12 VAL 26 -0.977 26.230 2.337 231 HG13 VAL 26 HG13 VAL 26 -0.697 27.288 0.954 232 HG21 VAL 26 HG21 VAL 26 -4.242 27.490 -0.190 233 HG22 VAL 26 HG22 VAL 26 -3.062 26.361 -0.863 234 HG23 VAL 26 HG23 VAL 26 -2.587 28.022 -0.507 235 H PHE 27 H PHE 27 -2.920 23.242 2.539 236 HA PHE 27 HA PHE 27 -2.857 23.753 5.408 237 HB2 PHE 27 HB2 PHE 27 -3.713 21.571 4.575 238 HB3 PHE 27 HB3 PHE 27 -2.150 21.221 3.852 239 HD1 PHE 27 HD1 PHE 27 -3.832 21.847 7.134 240 HD2 PHE 27 HD2 PHE 27 -0.456 20.129 5.148 241 HE1 PHE 27 HE1 PHE 27 -3.113 20.810 9.238 242 HE2 PHE 27 HE2 PHE 27 0.256 19.096 7.259 243 HZ PHE 27 HZ PHE 27 -1.070 19.431 9.309 244 H VAL 28 H VAL 28 -1.119 24.830 6.179 245 HA VAL 28 HA VAL 28 1.571 24.290 5.111 246 HB VAL 28 HB VAL 28 2.329 26.222 6.479 247 HG11 VAL 28 HG11 VAL 28 1.186 27.997 5.159 248 HG12 VAL 28 HG12 VAL 28 -0.040 26.827 4.658 249 HG13 VAL 28 HG13 VAL 28 1.642 26.614 4.161 250 HG21 VAL 28 HG21 VAL 28 -0.609 26.548 7.237 251 HG22 VAL 28 HG22 VAL 28 0.678 27.711 7.588 252 HG23 VAL 28 HG23 VAL 28 0.708 26.113 8.334 253 H LYS 29 H LYS 29 3.049 23.134 6.177 254 HA LYS 29 HA LYS 29 2.715 22.375 8.996 255 HB2 LYS 29 HB2 LYS 29 1.895 20.506 7.536 256 HB3 LYS 29 HB3 LYS 29 3.430 20.499 6.684 257 HG2 LYS 29 HG2 LYS 29 3.393 18.651 8.228 258 HG3 LYS 29 HG3 LYS 29 4.570 19.840 8.798 259 HD2 LYS 29 HD2 LYS 29 2.902 20.688 10.441 260 HD3 LYS 29 HD3 LYS 29 1.732 19.486 9.879 261 HE2 LYS 29 HE2 LYS 29 3.244 17.682 10.629 262 HE3 LYS 29 HE3 LYS 29 4.422 18.885 11.162 263 HZ1 LYS 29 HZ1 LYS 29 3.139 18.074 13.006 264 HZ2 LYS 29 HZ2 LYS 29 1.687 18.507 12.257 265 HZ3 LYS 29 HZ3 LYS 29 2.774 19.705 12.746 266 HA PRO 30 HA PRO 30 7.197 23.491 8.866 267 HB2 PRO 30 HB2 PRO 30 7.752 22.520 11.429 268 HB3 PRO 30 HB3 PRO 30 7.166 24.151 11.085 269 HG2 PRO 30 HG2 PRO 30 5.611 21.724 11.957 270 HG3 PRO 30 HG3 PRO 30 5.467 23.403 12.515 271 HD2 PRO 30 HD2 PRO 30 3.711 22.371 10.744 272 HD3 PRO 30 HD3 PRO 30 4.241 24.069 10.616 273 H ALA 31 H ALA 31 7.890 22.077 7.360 274 HA ALA 31 HA ALA 31 7.094 19.694 6.634 275 HB1 ALA 31 HB1 ALA 31 9.135 19.377 5.339 276 HB2 ALA 31 HB2 ALA 31 9.993 20.530 6.371 277 HB3 ALA 31 HB3 ALA 31 8.659 21.076 5.353 278 H THR 32 H THR 32 6.610 18.532 8.569 279 HA THR 32 HA THR 32 8.695 16.769 9.649 280 HB THR 32 HB THR 32 5.707 16.938 10.268 281 HG1 THR 32 HG1 THR 32 7.712 18.553 10.963 282 HG21 THR 32 HG21 THR 32 7.916 15.524 11.820 283 HG22 THR 32 HG22 THR 32 6.640 14.726 10.897 284 HG23 THR 32 HG23 THR 32 6.236 15.672 12.335 285 H VAL 33 H VAL 33 6.033 16.892 7.424 286 HA VAL 33 HA VAL 33 5.499 14.112 7.148 287 HB VAL 33 HB VAL 33 4.896 16.226 5.036 288 HG11 VAL 33 HG11 VAL 33 2.898 14.870 4.575 289 HG12 VAL 33 HG12 VAL 33 3.363 13.737 5.847 290 HG13 VAL 33 HG13 VAL 33 4.372 13.913 4.411 291 HG21 VAL 33 HG21 VAL 33 2.796 16.782 6.191 292 HG22 VAL 33 HG22 VAL 33 4.195 17.186 7.191 293 HG23 VAL 33 HG23 VAL 33 3.250 15.736 7.541 294 H TRP 34 H TRP 34 6.191 12.694 5.469 295 HA TRP 34 HA TRP 34 8.954 12.950 4.821 296 HB2 TRP 34 HB2 TRP 34 6.895 10.881 3.941 297 HB3 TRP 34 HB3 TRP 34 8.622 10.743 3.629 298 HD1 TRP 34 HD1 TRP 34 6.317 11.105 6.779 299 HE1 TRP 34 HE1 TRP 34 7.333 9.679 8.657 300 HE3 TRP 34 HE3 TRP 34 10.479 9.394 4.352 301 HZ2 TRP 34 HZ2 TRP 34 9.588 8.041 9.066 302 HZ3 TRP 34 HZ3 TRP 34 12.016 7.893 5.559 303 HH2 TRP 34 HH2 TRP 34 11.577 7.228 7.872 304 H LYS 35 H LYS 35 9.834 12.484 2.663 305 HA LYS 35 HA LYS 35 9.290 14.347 0.659 306 HB2 LYS 35 HB2 LYS 35 10.814 12.879 -0.753 307 HB3 LYS 35 HB3 LYS 35 11.469 13.347 0.812 308 HG2 LYS 35 HG2 LYS 35 11.179 11.181 1.736 309 HG3 LYS 35 HG3 LYS 35 10.052 10.691 0.474 310 HD2 LYS 35 HD2 LYS 35 13.030 11.186 0.053 311 HD3 LYS 35 HD3 LYS 35 12.284 9.598 0.269 312 HE2 LYS 35 HE2 LYS 35 11.771 11.541 -2.010 313 HE3 LYS 35 HE3 LYS 35 12.662 10.021 -2.107 314 HZ1 LYS 35 HZ1 LYS 35 9.771 10.227 -1.403 315 HZ2 LYS 35 HZ2 LYS 35 10.638 8.806 -1.668 316 HZ3 LYS 35 HZ3 LYS 35 10.352 9.873 -2.947 317 H GLU 36 H GLU 36 7.545 11.488 1.288 318 HA GLU 36 HA GLU 36 6.698 10.658 -1.278 319 HB2 GLU 36 HB2 GLU 36 5.064 10.443 1.280 320 HB3 GLU 36 HB3 GLU 36 4.979 9.395 -0.128 321 HG2 GLU 36 HG2 GLU 36 7.242 9.595 1.883 322 HG3 GLU 36 HG3 GLU 36 6.095 8.269 1.711 323 H LEU 37 H LEU 37 5.858 13.454 0.564 324 HA LEU 37 HA LEU 37 3.275 13.952 -0.520 325 HB2 LEU 37 HB2 LEU 37 4.718 15.001 1.603 326 HB3 LEU 37 HB3 LEU 37 4.840 16.304 0.445 327 HG LEU 37 HG LEU 37 2.976 16.741 1.923 328 HD11 LEU 37 HD11 LEU 37 1.858 15.880 -0.752 329 HD12 LEU 37 HD12 LEU 37 2.650 17.423 -0.405 330 HD13 LEU 37 HD13 LEU 37 1.128 17.017 0.387 331 HD21 LEU 37 HD21 LEU 37 2.559 14.446 2.670 332 HD22 LEU 37 HD22 LEU 37 1.829 14.056 1.113 333 HD23 LEU 37 HD23 LEU 37 1.069 15.244 2.176 334 H LYS 38 H LYS 38 3.217 13.983 -2.748 335 HA LYS 38 HA LYS 38 4.904 15.985 -4.141 336 HB2 LYS 38 HB2 LYS 38 4.569 14.737 -6.205 337 HB3 LYS 38 HB3 LYS 38 5.185 13.665 -4.969 338 HG2 LYS 38 HG2 LYS 38 3.600 12.315 -5.974 339 HG3 LYS 38 HG3 LYS 38 2.659 12.994 -4.644 340 HD2 LYS 38 HD2 LYS 38 1.274 13.078 -6.595 341 HD3 LYS 38 HD3 LYS 38 1.785 14.726 -6.279 342 HE2 LYS 38 HE2 LYS 38 1.902 14.297 -8.656 343 HE3 LYS 38 HE3 LYS 38 3.539 14.472 -8.023 344 HZ1 LYS 38 HZ1 LYS 38 3.351 12.614 -9.557 345 HZ2 LYS 38 HZ2 LYS 38 2.179 11.893 -8.576 346 HZ3 LYS 38 HZ3 LYS 38 3.760 12.078 -8.004 347 HA PRO 39 HA PRO 39 1.196 18.384 -4.824 348 HB2 PRO 39 HB2 PRO 39 1.872 19.887 -6.987 349 HB3 PRO 39 HB3 PRO 39 2.661 20.100 -5.416 350 HG2 PRO 39 HG2 PRO 39 3.639 18.613 -7.846 351 HG3 PRO 39 HG3 PRO 39 4.537 19.701 -6.767 352 HD2 PRO 39 HD2 PRO 39 4.628 16.943 -6.580 353 HD3 PRO 39 HD3 PRO 39 4.921 18.035 -5.204 354 H GLY 40 H GLY 40 -0.072 16.452 -5.290 355 HA2 GLY 40 HA2 GLY 40 -1.839 16.480 -7.302 356 HA3 GLY 40 HA3 GLY 40 -0.504 15.620 -8.065 357 H MET 41 H MET 41 -1.697 15.510 -4.731 358 HA MET 41 HA MET 41 -2.357 12.627 -5.011 359 HB2 MET 41 HB2 MET 41 -0.943 14.044 -2.713 360 HB3 MET 41 HB3 MET 41 -1.632 12.443 -2.555 361 HG2 MET 41 HG2 MET 41 -0.108 11.833 -4.574 362 HG3 MET 41 HG3 MET 41 0.766 13.298 -4.134 363 HE1 MET 41 HE1 MET 41 0.068 13.006 -0.828 364 HE2 MET 41 HE2 MET 41 1.578 13.657 -1.469 365 HE3 MET 41 HE3 MET 41 1.610 12.326 -0.310 366 H LYS 42 H LYS 42 -3.393 12.336 -2.401 367 HA LYS 42 HA LYS 42 -5.685 14.217 -2.264 368 HB2 LYS 42 HB2 LYS 42 -6.859 12.206 -1.104 369 HB3 LYS 42 HB3 LYS 42 -6.717 12.185 -2.856 370 HG2 LYS 42 HG2 LYS 42 -4.867 10.623 -2.738 371 HG3 LYS 42 HG3 LYS 42 -4.830 10.740 -0.983 372 HD2 LYS 42 HD2 LYS 42 -5.912 8.645 -1.824 373 HD3 LYS 42 HD3 LYS 42 -6.973 9.617 -0.797 374 HE2 LYS 42 HE2 LYS 42 -8.180 10.446 -2.735 375 HE3 LYS 42 HE3 LYS 42 -7.033 9.685 -3.834 376 HZ1 LYS 42 HZ1 LYS 42 -8.777 8.222 -1.932 377 HZ2 LYS 42 HZ2 LYS 42 -7.769 7.544 -3.109 378 HZ3 LYS 42 HZ3 LYS 42 -9.115 8.449 -3.573 379 H PHE 43 H PHE 43 -6.554 14.539 -0.119 380 HA PHE 43 HA PHE 43 -4.724 13.978 2.143 381 HB2 PHE 43 HB2 PHE 43 -4.380 16.320 1.121 382 HB3 PHE 43 HB3 PHE 43 -5.984 16.713 1.706 383 HD1 PHE 43 HD1 PHE 43 -6.236 16.010 4.406 384 HD2 PHE 43 HD2 PHE 43 -2.641 17.157 2.393 385 HE1 PHE 43 HE1 PHE 43 -5.282 16.776 6.531 386 HE2 PHE 43 HE2 PHE 43 -1.695 17.909 4.524 387 HZ PHE 43 HZ PHE 43 -3.010 17.726 6.594 388 H VAL 44 H VAL 44 -6.116 12.565 3.145 389 HA VAL 44 HA VAL 44 -8.950 13.159 3.377 390 HB VAL 44 HB VAL 44 -7.382 10.847 4.588 391 HG11 VAL 44 HG11 VAL 44 -10.371 11.209 4.139 392 HG12 VAL 44 HG12 VAL 44 -9.550 11.228 5.703 393 HG13 VAL 44 HG13 VAL 44 -9.597 9.743 4.751 394 HG21 VAL 44 HG21 VAL 44 -8.210 9.521 2.653 395 HG22 VAL 44 HG22 VAL 44 -7.170 10.846 2.128 396 HG23 VAL 44 HG23 VAL 44 -8.923 10.981 1.957 397 H PHE 45 H PHE 45 -9.825 14.259 4.986 398 HA PHE 45 HA PHE 45 -8.255 15.080 7.308 399 HB2 PHE 45 HB2 PHE 45 -11.035 15.929 6.368 400 HB3 PHE 45 HB3 PHE 45 -10.158 16.637 7.727 401 HD1 PHE 45 HD1 PHE 45 -8.124 18.006 7.337 402 HD2 PHE 45 HD2 PHE 45 -10.410 16.483 4.066 403 HE1 PHE 45 HE1 PHE 45 -6.963 19.523 5.802 404 HE2 PHE 45 HE2 PHE 45 -9.240 17.998 2.554 405 HZ PHE 45 HZ PHE 45 -7.516 19.516 3.407 406 H TYR 46 H TYR 46 -8.288 13.888 9.056 407 HA TYR 46 HA TYR 46 -10.516 12.061 9.692 408 HB2 TYR 46 HB2 TYR 46 -8.259 11.042 9.475 409 HB3 TYR 46 HB3 TYR 46 -7.628 12.134 10.699 410 HD1 TYR 46 HD1 TYR 46 -10.189 9.441 10.214 411 HD2 TYR 46 HD2 TYR 46 -7.618 11.399 12.986 412 HE1 TYR 46 HE1 TYR 46 -10.745 7.783 11.916 413 HE2 TYR 46 HE2 TYR 46 -8.177 9.735 14.695 414 HH TYR 46 HH TYR 46 -9.987 8.151 15.207 415 H GLN 47 H GLN 47 -11.922 13.573 10.655 416 HA GLN 47 HA GLN 47 -11.164 15.240 12.873 417 HB2 GLN 47 HB2 GLN 47 -13.077 15.779 11.409 418 HB3 GLN 47 HB3 GLN 47 -13.907 14.318 11.927 419 HG2 GLN 47 HG2 GLN 47 -14.076 15.231 14.217 420 HG3 GLN 47 HG3 GLN 47 -13.216 16.684 13.706 421 HE21 GLN 47 HE21 GLN 47 -15.688 15.028 11.762 422 HE22 GLN 47 HE22 GLN 47 -16.854 16.295 11.871 423 H SER 48 H SER 48 -10.208 13.972 14.447 424 HA SER 48 HA SER 48 -11.544 11.639 15.581 425 HB2 SER 48 HB2 SER 48 -9.002 11.880 15.312 426 HB3 SER 48 HB3 SER 48 -9.048 13.054 16.624 427 HG SER 48 HG SER 48 -9.907 10.344 16.773 428 H HIS 49 H HIS 49 -13.356 13.458 15.798 429 HA HIS 49 HA HIS 49 -13.723 14.278 18.523 430 HB2 HIS 49 HB2 HIS 49 -12.175 16.073 17.844 431 HB3 HIS 49 HB3 HIS 49 -13.113 16.392 16.389 432 HD1 HIS 49 HD1 HIS 49 -14.451 16.164 19.949 433 HD2 HIS 49 HD2 HIS 49 -13.987 18.937 16.897 434 HE1 HIS 49 HE1 HIS 49 -15.780 18.170 20.661 435 HE2 HIS 49 HE2 HIS 49 -15.410 19.870 18.842 436 H GLU 50 H GLU 50 -15.013 12.776 16.209 437 HA GLU 50 HA GLU 50 -17.671 14.087 16.310 438 HB2 GLU 50 HB2 GLU 50 -16.671 14.565 14.118 439 HB3 GLU 50 HB3 GLU 50 -16.356 12.853 13.856 440 HG2 GLU 50 HG2 GLU 50 -18.761 12.393 13.772 441 HG3 GLU 50 HG3 GLU 50 -19.117 14.084 14.136 442 H ASP 51 H ASP 51 -16.519 11.054 14.764 443 HA ASP 51 HA ASP 51 -17.794 9.296 16.617 444 HB2 ASP 51 HB2 ASP 51 -19.820 10.345 15.554 445 HB3 ASP 51 HB3 ASP 51 -19.266 9.790 13.980 446 H THR 52 H THR 52 -17.716 9.119 13.035 447 HA THR 52 HA THR 52 -16.351 6.579 13.122 448 HB THR 52 HB THR 52 -17.071 8.276 10.681 449 HG1 THR 52 HG1 THR 52 -18.614 6.781 12.431 450 HG21 THR 52 HG21 THR 52 -16.572 5.283 10.954 451 HG22 THR 52 HG22 THR 52 -15.500 6.434 10.150 452 HG23 THR 52 HG23 THR 52 -17.099 6.108 9.482 453 H GLY 53 H GLY 53 -15.539 9.888 12.097 454 HA2 GLY 53 HA2 GLY 53 -13.231 10.543 12.862 455 HA3 GLY 53 HA3 GLY 53 -12.666 9.136 11.972 456 H PHE 54 H PHE 54 -13.405 9.082 9.621 457 HA PHE 54 HA PHE 54 -12.227 11.260 8.283 458 HB2 PHE 54 HB2 PHE 54 -13.867 8.923 7.250 459 HB3 PHE 54 HB3 PHE 54 -13.147 10.112 6.177 460 HD1 PHE 54 HD1 PHE 54 -10.592 10.184 8.294 461 HD2 PHE 54 HD2 PHE 54 -12.567 7.245 5.891 462 HE1 PHE 54 HE1 PHE 54 -8.512 8.878 8.163 463 HE2 PHE 54 HE2 PHE 54 -10.486 5.958 5.758 464 HZ PHE 54 HZ PHE 54 -8.453 6.767 6.888 465 H VAL 55 H VAL 55 -13.168 13.190 8.638 466 HA VAL 55 HA VAL 55 -15.980 13.751 8.335 467 HB VAL 55 HB VAL 55 -14.682 15.039 9.938 468 HG11 VAL 55 HG11 VAL 55 -12.471 15.005 8.895 469 HG12 VAL 55 HG12 VAL 55 -12.927 16.663 9.291 470 HG13 VAL 55 HG13 VAL 55 -13.030 16.095 7.622 471 HG21 VAL 55 HG21 VAL 55 -15.563 16.879 7.699 472 HG22 VAL 55 HG22 VAL 55 -15.314 17.347 9.385 473 HG23 VAL 55 HG23 VAL 55 -16.598 16.212 8.964 474 H GLY 56 H GLY 56 -13.064 13.984 6.375 475 HA2 GLY 56 HA2 GLY 56 -14.519 14.079 3.926 476 HA3 GLY 56 HA3 GLY 56 -13.902 15.680 4.334 477 H GLU 57 H GLU 57 -12.844 15.285 2.260 478 HA GLU 57 HA GLU 57 -10.082 14.515 2.704 479 HB2 GLU 57 HB2 GLU 57 -9.877 13.198 0.667 480 HB3 GLU 57 HB3 GLU 57 -11.084 12.447 1.704 481 HG2 GLU 57 HG2 GLU 57 -12.834 12.908 0.264 482 HG3 GLU 57 HG3 GLU 57 -12.090 14.372 -0.366 483 H ALA 58 H ALA 58 -8.893 15.092 0.525 484 HA ALA 58 HA ALA 58 -10.097 17.121 -1.144 485 HB1 ALA 58 HB1 ALA 58 -8.389 18.865 -0.617 486 HB2 ALA 58 HB2 ALA 58 -7.827 17.865 0.731 487 HB3 ALA 58 HB3 ALA 58 -9.461 18.523 0.744 488 H ARG 59 H ARG 59 -7.966 18.128 -2.422 489 HA ARG 59 HA ARG 59 -6.309 15.826 -3.253 490 HB2 ARG 59 HB2 ARG 59 -7.699 17.837 -5.078 491 HB3 ARG 59 HB3 ARG 59 -6.549 16.609 -5.618 492 HG2 ARG 59 HG2 ARG 59 -9.199 16.029 -4.240 493 HG3 ARG 59 HG3 ARG 59 -8.933 15.949 -5.985 494 HD2 ARG 59 HD2 ARG 59 -7.527 14.043 -5.793 495 HD3 ARG 59 HD3 ARG 59 -7.278 14.284 -4.061 496 HE ARG 59 HE ARG 59 -9.815 13.822 -3.958 497 HH11 ARG 59 HH11 ARG 59 -7.667 12.207 -6.228 498 HH12 ARG 59 HH12 ARG 59 -8.530 10.707 -6.143 499 HH21 ARG 59 HH21 ARG 59 -10.906 11.865 -3.831 500 HH22 ARG 59 HH22 ARG 59 -10.395 10.517 -4.797 501 H ILE 60 H ILE 60 -4.311 16.235 -2.913 502 HA ILE 60 HA ILE 60 -3.194 18.721 -2.169 503 HB ILE 60 HB ILE 60 -2.088 15.957 -2.700 504 HG12 ILE 60 HG12 ILE 60 -2.010 17.617 -0.150 505 HG13 ILE 60 HG13 ILE 60 -3.359 16.571 -0.549 506 HG21 ILE 60 HG21 ILE 60 0.161 16.683 -1.945 507 HG22 ILE 60 HG22 ILE 60 -0.371 18.361 -2.040 508 HG23 ILE 60 HG23 ILE 60 -0.298 17.378 -3.500 509 HD11 ILE 60 HD11 ILE 60 -0.505 15.675 -0.146 510 HD12 ILE 60 HD12 ILE 60 -1.891 14.630 -0.484 511 HD13 ILE 60 HD13 ILE 60 -1.815 15.539 1.026 512 H LYS 61 H LYS 61 -1.936 20.097 -3.207 513 HA LYS 61 HA LYS 61 -1.288 19.905 -6.059 514 HB2 LYS 61 HB2 LYS 61 -2.915 22.145 -4.765 515 HB3 LYS 61 HB3 LYS 61 -2.257 22.219 -6.392 516 HG2 LYS 61 HG2 LYS 61 -4.312 20.210 -5.433 517 HG3 LYS 61 HG3 LYS 61 -4.677 21.689 -6.325 518 HD2 LYS 61 HD2 LYS 61 -2.928 19.427 -7.391 519 HD3 LYS 61 HD3 LYS 61 -4.650 19.608 -7.739 520 HE2 LYS 61 HE2 LYS 61 -4.194 21.802 -8.798 521 HE3 LYS 61 HE3 LYS 61 -2.468 21.591 -8.477 522 HZ1 LYS 61 HZ1 LYS 61 -2.437 19.706 -9.910 523 HZ2 LYS 61 HZ2 LYS 61 -3.152 20.994 -10.739 524 HZ3 LYS 61 HZ3 LYS 61 -4.112 19.755 -10.114 525 H ARG 62 H ARG 62 -0.393 22.530 -6.361 526 HA ARG 62 HA ARG 62 2.216 22.352 -6.071 527 HB2 ARG 62 HB2 ARG 62 2.388 24.860 -6.101 528 HB3 ARG 62 HB3 ARG 62 1.253 24.198 -7.269 529 HG2 ARG 62 HG2 ARG 62 -0.639 24.818 -5.849 530 HG3 ARG 62 HG3 ARG 62 0.459 25.405 -4.598 531 HD2 ARG 62 HD2 ARG 62 -0.487 27.263 -5.896 532 HD3 ARG 62 HD3 ARG 62 1.259 27.165 -6.111 533 HE ARG 62 HE ARG 62 0.929 26.339 -8.313 534 HH11 ARG 62 HH11 ARG 62 -2.134 27.265 -6.834 535 HH12 ARG 62 HH12 ARG 62 -2.920 27.523 -8.361 536 HH21 ARG 62 HH21 ARG 62 -0.123 26.651 -10.290 537 HH22 ARG 62 HH22 ARG 62 -1.773 27.179 -10.318 538 H VAL 63 H VAL 63 3.594 21.902 -4.505 539 HA VAL 63 HA VAL 63 3.087 22.760 -1.736 540 HB VAL 63 HB VAL 63 4.750 21.047 -1.043 541 HG11 VAL 63 HG11 VAL 63 2.370 20.434 -1.170 542 HG12 VAL 63 HG12 VAL 63 3.384 19.050 -1.579 543 HG13 VAL 63 HG13 VAL 63 2.564 19.950 -2.859 544 HG21 VAL 63 HG21 VAL 63 4.915 20.293 -4.003 545 HG22 VAL 63 HG22 VAL 63 5.631 19.375 -2.674 546 HG23 VAL 63 HG23 VAL 63 6.219 20.997 -3.042 547 H VAL 64 H VAL 64 3.946 24.648 -1.238 548 HA VAL 64 HA VAL 64 6.358 25.704 -2.526 549 HB VAL 64 HB VAL 64 4.380 27.016 -0.611 550 HG11 VAL 64 HG11 VAL 64 5.402 29.173 -1.260 551 HG12 VAL 64 HG12 VAL 64 6.612 28.316 -2.217 552 HG13 VAL 64 HG13 VAL 64 6.576 28.121 -0.462 553 HG21 VAL 64 HG21 VAL 64 3.493 28.192 -2.591 554 HG22 VAL 64 HG22 VAL 64 3.325 26.442 -2.761 555 HG23 VAL 64 HG23 VAL 64 4.606 27.295 -3.627 556 H LEU 65 H LEU 65 8.224 25.068 -1.569 557 HA LEU 65 HA LEU 65 8.400 24.558 1.303 558 HB2 LEU 65 HB2 LEU 65 10.597 24.354 -0.808 559 HB3 LEU 65 HB3 LEU 65 10.656 23.726 0.835 560 HG LEU 65 HG LEU 65 8.863 22.694 -1.409 561 HD11 LEU 65 HD11 LEU 65 11.207 22.093 -1.754 562 HD12 LEU 65 HD12 LEU 65 10.243 20.674 -1.357 563 HD13 LEU 65 HD13 LEU 65 11.291 21.398 -0.131 564 HD21 LEU 65 HD21 LEU 65 9.153 21.663 1.435 565 HD22 LEU 65 HD22 LEU 65 8.257 20.868 0.136 566 HD23 LEU 65 HD23 LEU 65 7.730 22.438 0.730 567 H SER 66 H SER 66 8.843 26.204 2.627 568 HA SER 66 HA SER 66 11.016 28.049 2.097 569 HB2 SER 66 HB2 SER 66 9.125 29.314 1.138 570 HB3 SER 66 HB3 SER 66 8.198 29.113 2.629 571 HG SER 66 HG SER 66 10.309 30.812 2.052 572 H GLU 67 H GLU 67 12.093 28.481 3.946 573 HA GLU 67 HA GLU 67 11.419 27.369 6.457 574 HB2 GLU 67 HB2 GLU 67 13.408 29.510 5.652 575 HB3 GLU 67 HB3 GLU 67 13.268 28.920 7.302 576 HG2 GLU 67 HG2 GLU 67 13.746 26.600 6.401 577 HG3 GLU 67 HG3 GLU 67 14.130 27.360 4.854 578 H ASN 68 H ASN 68 10.499 30.345 4.928 579 HA ASN 68 HA ASN 68 9.533 31.621 7.367 580 HB2 ASN 68 HB2 ASN 68 9.257 32.409 4.439 581 HB3 ASN 68 HB3 ASN 68 8.702 33.391 5.790 582 HD21 ASN 68 HD21 ASN 68 10.882 33.623 3.614 583 HD22 ASN 68 HD22 ASN 68 12.267 34.156 4.498 584 HA PRO 69 HA PRO 69 5.392 29.706 6.707 585 HB2 PRO 69 HB2 PRO 69 4.318 30.565 9.071 586 HB3 PRO 69 HB3 PRO 69 5.366 29.147 8.963 587 HG2 PRO 69 HG2 PRO 69 6.082 31.965 9.771 588 HG3 PRO 69 HG3 PRO 69 6.526 30.432 10.555 589 HD2 PRO 69 HD2 PRO 69 8.235 31.742 8.901 590 HD3 PRO 69 HD3 PRO 69 8.197 29.964 8.996 591 H MET 70 H MET 70 6.571 32.853 6.806 592 HA MET 70 HA MET 70 4.040 34.296 6.723 593 HB2 MET 70 HB2 MET 70 6.927 35.252 6.643 594 HB3 MET 70 HB3 MET 70 5.521 36.308 6.734 595 HG2 MET 70 HG2 MET 70 4.975 35.509 8.940 596 HG3 MET 70 HG3 MET 70 6.199 34.239 8.843 597 HE1 MET 70 HE1 MET 70 8.689 35.838 7.519 598 HE2 MET 70 HE2 MET 70 8.835 34.714 8.874 599 HE3 MET 70 HE3 MET 70 9.531 36.331 8.988 600 H GLN 71 H GLN 71 6.573 33.184 4.531 601 HA GLN 71 HA GLN 71 5.817 34.771 2.272 602 HB2 GLN 71 HB2 GLN 71 7.321 32.133 2.395 603 HB3 GLN 71 HB3 GLN 71 7.025 33.009 0.893 604 HG2 GLN 71 HG2 GLN 71 8.214 34.995 2.001 605 HG3 GLN 71 HG3 GLN 71 8.742 33.856 3.237 606 HE21 GLN 71 HE21 GLN 71 10.403 35.377 1.466 607 HE22 GLN 71 HE22 GLN 71 11.305 34.257 0.510 608 H PHE 72 H PHE 72 4.440 31.983 3.741 609 HA PHE 72 HA PHE 72 2.845 31.120 1.509 610 HB2 PHE 72 HB2 PHE 72 2.377 30.644 4.481 611 HB3 PHE 72 HB3 PHE 72 1.703 29.706 3.149 612 HD1 PHE 72 HD1 PHE 72 4.355 29.595 1.496 613 HD2 PHE 72 HD2 PHE 72 3.453 28.808 5.602 614 HE1 PHE 72 HE1 PHE 72 6.253 28.054 1.621 615 HE2 PHE 72 HE2 PHE 72 5.350 27.266 5.707 616 HZ PHE 72 HZ PHE 72 6.757 26.884 3.723 617 H PHE 73 H PHE 73 2.613 33.673 3.859 618 HA PHE 73 HA PHE 73 -0.245 34.110 3.443 619 HB2 PHE 73 HB2 PHE 73 1.772 35.620 5.153 620 HB3 PHE 73 HB3 PHE 73 0.041 35.959 5.105 621 HD1 PHE 73 HD1 PHE 73 -0.923 33.029 5.009 622 HD2 PHE 73 HD2 PHE 73 1.945 35.017 7.479 623 HE1 PHE 73 HE1 PHE 73 -1.310 31.396 6.790 624 HE2 PHE 73 HE2 PHE 73 1.535 33.376 9.244 625 HZ PHE 73 HZ PHE 73 -0.083 31.559 8.912 626 H GLU 74 H GLU 74 2.848 35.495 2.375 627 HA GLU 74 HA GLU 74 1.601 37.732 1.023 628 HB2 GLU 74 HB2 GLU 74 3.756 38.176 0.009 629 HB3 GLU 74 HB3 GLU 74 4.012 37.762 1.701 630 HG2 GLU 74 HG2 GLU 74 4.700 35.500 1.052 631 HG3 GLU 74 HG3 GLU 74 4.421 35.884 -0.646 632 H THR 75 H THR 75 2.259 34.377 0.230 633 HA THR 75 HA THR 75 1.707 34.686 -2.613 634 HB THR 75 HB THR 75 2.146 32.159 -0.952 635 HG1 THR 75 HG1 THR 75 3.959 33.647 -1.132 636 HG21 THR 75 HG21 THR 75 0.934 31.616 -3.036 637 HG22 THR 75 HG22 THR 75 2.598 31.027 -3.113 638 HG23 THR 75 HG23 THR 75 2.142 32.497 -3.978 639 H PHE 76 H PHE 76 0.198 32.827 0.072 640 HA PHE 76 HA PHE 76 -2.282 32.513 -1.512 641 HB2 PHE 76 HB2 PHE 76 -1.290 30.995 0.939 642 HB3 PHE 76 HB3 PHE 76 -2.769 30.638 0.060 643 HD1 PHE 76 HD1 PHE 76 -2.401 30.222 -2.571 644 HD2 PHE 76 HD2 PHE 76 0.586 29.690 0.447 645 HE1 PHE 76 HE1 PHE 76 -1.196 28.656 -4.036 646 HE2 PHE 76 HE2 PHE 76 1.782 28.125 -1.021 647 HZ PHE 76 HZ PHE 76 0.896 27.601 -3.263 648 H GLY 77 H GLY 77 -1.435 32.837 1.958 649 HA2 GLY 77 HA2 GLY 77 -2.071 34.380 3.530 650 HA3 GLY 77 HA3 GLY 77 -2.940 35.272 2.292 651 H ASP 78 H ASP 78 -5.123 34.562 1.748 652 HA ASP 78 HA ASP 78 -6.531 33.675 4.167 653 HB2 ASP 78 HB2 ASP 78 -7.344 35.741 3.129 654 HB3 ASP 78 HB3 ASP 78 -7.515 34.935 1.577 655 H ARG 79 H ARG 79 -5.458 32.477 1.148 656 HA ARG 79 HA ARG 79 -7.211 30.240 0.909 657 HB2 ARG 79 HB2 ARG 79 -4.320 30.518 -0.002 658 HB3 ARG 79 HB3 ARG 79 -5.438 29.265 -0.520 659 HG2 ARG 79 HG2 ARG 79 -5.660 32.235 -1.122 660 HG3 ARG 79 HG3 ARG 79 -5.193 30.961 -2.252 661 HD2 ARG 79 HD2 ARG 79 -7.451 31.329 -2.783 662 HD3 ARG 79 HD3 ARG 79 -7.520 29.939 -1.714 663 HE ARG 79 HE ARG 79 -7.875 32.520 -0.427 664 HH11 ARG 79 HH11 ARG 79 -9.464 29.669 -1.729 665 HH12 ARG 79 HH12 ARG 79 -11.003 30.066 -1.040 666 HH21 ARG 79 HH21 ARG 79 -9.874 32.991 0.528 667 HH22 ARG 79 HH22 ARG 79 -11.235 31.951 0.251 668 H VAL 80 H VAL 80 -4.296 30.879 2.811 669 HA VAL 80 HA VAL 80 -3.830 28.205 3.700 670 HB VAL 80 HB VAL 80 -3.064 30.791 5.133 671 HG11 VAL 80 HG11 VAL 80 -2.772 28.788 6.537 672 HG12 VAL 80 HG12 VAL 80 -1.210 29.484 6.101 673 HG13 VAL 80 HG13 VAL 80 -1.790 28.033 5.277 674 HG21 VAL 80 HG21 VAL 80 -2.260 30.887 2.810 675 HG22 VAL 80 HG22 VAL 80 -1.484 29.310 2.996 676 HG23 VAL 80 HG23 VAL 80 -0.906 30.694 3.930 677 H PHE 81 H PHE 81 -4.415 27.196 5.714 678 HA PHE 81 HA PHE 81 -7.070 27.633 6.532 679 HB2 PHE 81 HB2 PHE 81 -6.817 25.796 8.071 680 HB3 PHE 81 HB3 PHE 81 -5.985 25.419 6.576 681 HD1 PHE 81 HD1 PHE 81 -3.552 25.142 6.515 682 HD2 PHE 81 HD2 PHE 81 -5.545 26.091 10.174 683 HE1 PHE 81 HE1 PHE 81 -1.571 24.457 7.789 684 HE2 PHE 81 HE2 PHE 81 -3.554 25.414 11.438 685 HZ PHE 81 HZ PHE 81 -1.560 24.595 10.246 686 H LEU 82 H LEU 82 -4.167 28.990 7.771 687 HA LEU 82 HA LEU 82 -5.727 30.435 9.813 688 HB2 LEU 82 HB2 LEU 82 -4.111 30.193 11.481 689 HB3 LEU 82 HB3 LEU 82 -4.212 28.592 10.795 690 HG LEU 82 HG LEU 82 -1.971 30.590 10.232 691 HD11 LEU 82 HD11 LEU 82 -1.909 29.822 12.559 692 HD12 LEU 82 HD12 LEU 82 -0.551 29.178 11.641 693 HD13 LEU 82 HD13 LEU 82 -1.929 28.139 12.023 694 HD21 LEU 82 HD21 LEU 82 -0.790 28.722 9.186 695 HD22 LEU 82 HD22 LEU 82 -2.312 29.045 8.362 696 HD23 LEU 82 HD23 LEU 82 -2.180 27.666 9.454 697 H THR 83 H THR 83 -4.742 32.537 10.401 698 HA THR 83 HA THR 83 -3.330 33.753 8.097 699 HB THR 83 HB THR 83 -5.651 34.658 8.737 700 HG1 THR 83 HG1 THR 83 -4.716 36.924 8.733 701 HG21 THR 83 HG21 THR 83 -5.827 36.223 10.587 702 HG22 THR 83 HG22 THR 83 -4.139 35.953 11.023 703 HG23 THR 83 HG23 THR 83 -5.316 34.656 11.215 704 H LYS 84 H LYS 84 -2.151 35.932 9.075 705 HA LYS 84 HA LYS 84 0.195 35.079 10.327 706 HB2 LYS 84 HB2 LYS 84 -0.023 37.200 8.997 707 HB3 LYS 84 HB3 LYS 84 -0.931 37.912 10.321 708 HG2 LYS 84 HG2 LYS 84 1.287 38.756 10.521 709 HG3 LYS 84 HG3 LYS 84 1.110 37.549 11.790 710 HD2 LYS 84 HD2 LYS 84 3.281 37.258 10.778 711 HD3 LYS 84 HD3 LYS 84 2.272 35.883 10.312 712 HE2 LYS 84 HE2 LYS 84 3.580 36.719 8.402 713 HE3 LYS 84 HE3 LYS 84 1.853 36.929 8.121 714 HZ1 LYS 84 HZ1 LYS 84 3.121 38.883 7.469 715 HZ2 LYS 84 HZ2 LYS 84 3.714 39.055 9.042 716 HZ3 LYS 84 HZ3 LYS 84 2.065 39.247 8.737 717 H ASP 85 H ASP 85 -2.664 36.643 11.710 718 HA ASP 85 HA ASP 85 -1.783 37.052 14.353 719 HB2 ASP 85 HB2 ASP 85 -4.618 36.570 13.331 720 HB3 ASP 85 HB3 ASP 85 -4.211 37.183 14.934 721 H GLU 86 H GLU 86 -3.630 34.273 12.971 722 HA GLU 86 HA GLU 86 -3.665 32.712 15.333 723 HB2 GLU 86 HB2 GLU 86 -3.739 31.854 12.430 724 HB3 GLU 86 HB3 GLU 86 -3.734 30.674 13.729 725 HG2 GLU 86 HG2 GLU 86 -5.972 30.876 13.181 726 HG3 GLU 86 HG3 GLU 86 -5.807 31.861 14.632 727 H LEU 87 H LEU 87 -1.296 32.867 12.690 728 HA LEU 87 HA LEU 87 0.371 30.749 13.447 729 HB2 LEU 87 HB2 LEU 87 0.555 31.822 11.252 730 HB3 LEU 87 HB3 LEU 87 1.052 33.335 11.994 731 HG LEU 87 HG LEU 87 3.119 32.092 12.867 732 HD11 LEU 87 HD11 LEU 87 3.811 30.050 11.721 733 HD12 LEU 87 HD12 LEU 87 2.258 29.976 10.885 734 HD13 LEU 87 HD13 LEU 87 2.329 29.806 12.643 735 HD21 LEU 87 HD21 LEU 87 3.198 33.671 10.961 736 HD22 LEU 87 HD22 LEU 87 2.917 32.321 9.854 737 HD23 LEU 87 HD23 LEU 87 4.384 32.374 10.831 738 H LYS 88 H LYS 88 0.620 34.230 14.295 739 HA LYS 88 HA LYS 88 3.066 33.965 15.695 740 HB2 LYS 88 HB2 LYS 88 2.608 36.288 16.568 741 HB3 LYS 88 HB3 LYS 88 2.598 36.116 14.827 742 HG2 LYS 88 HG2 LYS 88 0.817 37.558 15.166 743 HG3 LYS 88 HG3 LYS 88 0.019 36.004 15.060 744 HD2 LYS 88 HD2 LYS 88 -0.972 37.332 16.843 745 HD3 LYS 88 HD3 LYS 88 -0.163 35.921 17.524 746 HE2 LYS 88 HE2 LYS 88 0.348 37.824 18.901 747 HE3 LYS 88 HE3 LYS 88 1.798 37.363 18.015 748 HZ1 LYS 88 HZ1 LYS 88 -0.024 39.567 17.241 749 HZ2 LYS 88 HZ2 LYS 88 1.430 39.157 16.485 750 HZ3 LYS 88 HZ3 LYS 88 1.443 39.767 18.058 751 H GLU 89 H GLU 89 -0.324 34.005 16.849 752 HA GLU 89 HA GLU 89 0.425 33.829 19.632 753 HB2 GLU 89 HB2 GLU 89 -1.946 33.600 20.108 754 HB3 GLU 89 HB3 GLU 89 -1.717 34.859 18.901 755 HG2 GLU 89 HG2 GLU 89 -2.398 33.234 17.130 756 HG3 GLU 89 HG3 GLU 89 -2.709 32.035 18.384 757 H TYR 90 H TYR 90 -0.099 31.536 17.074 758 HA TYR 90 HA TYR 90 -0.537 29.189 18.656 759 HB2 TYR 90 HB2 TYR 90 -1.244 29.247 16.313 760 HB3 TYR 90 HB3 TYR 90 0.399 29.564 15.773 761 HD1 TYR 90 HD1 TYR 90 -1.564 26.961 17.672 762 HD2 TYR 90 HD2 TYR 90 1.663 27.748 14.975 763 HE1 TYR 90 HE1 TYR 90 -1.189 24.551 17.414 764 HE2 TYR 90 HE2 TYR 90 2.042 25.328 14.722 765 HH TYR 90 HH TYR 90 1.593 23.243 15.969 766 H MET 91 H MET 91 2.302 30.566 16.995 767 HA MET 91 HA MET 91 4.182 28.592 17.832 768 HB2 MET 91 HB2 MET 91 4.639 31.453 16.882 769 HB3 MET 91 HB3 MET 91 5.918 30.272 17.117 770 HG2 MET 91 HG2 MET 91 4.934 28.859 15.348 771 HG3 MET 91 HG3 MET 91 3.671 30.065 15.095 772 HE1 MET 91 HE1 MET 91 5.831 33.138 13.803 773 HE2 MET 91 HE2 MET 91 5.495 32.805 15.501 774 HE3 MET 91 HE3 MET 91 4.223 32.605 14.294 775 H LYS 92 H LYS 92 3.246 31.777 19.099 776 HA LYS 92 HA LYS 92 5.086 31.902 21.239 777 HB2 LYS 92 HB2 LYS 92 2.398 33.265 20.878 778 HB3 LYS 92 HB3 LYS 92 3.459 33.589 22.245 779 HG2 LYS 92 HG2 LYS 92 4.102 34.096 19.316 780 HG3 LYS 92 HG3 LYS 92 3.689 35.320 20.516 781 HD2 LYS 92 HD2 LYS 92 6.172 33.547 20.557 782 HD3 LYS 92 HD3 LYS 92 6.127 35.240 20.058 783 HE2 LYS 92 HE2 LYS 92 5.476 35.912 22.325 784 HE3 LYS 92 HE3 LYS 92 5.433 34.223 22.836 785 HZ1 LYS 92 HZ1 LYS 92 7.454 35.262 23.524 786 HZ2 LYS 92 HZ2 LYS 92 7.818 35.736 21.946 787 HZ3 LYS 92 HZ3 LYS 92 7.811 34.092 22.355 788 H SER 93 H SER 93 1.876 30.432 20.975 789 HA SER 93 HA SER 93 1.473 29.796 23.704 790 HB2 SER 93 HB2 SER 93 -0.306 29.687 21.965 791 HB3 SER 93 HB3 SER 93 0.496 28.301 21.234 792 HG SER 93 HG SER 93 -0.846 28.486 23.708 793 H GLN 94 H GLN 94 3.268 28.140 21.116 794 HA GLN 94 HA GLN 94 3.654 25.655 22.490 795 HB2 GLN 94 HB2 GLN 94 5.349 26.765 20.211 796 HB3 GLN 94 HB3 GLN 94 5.183 25.075 20.682 797 HG2 GLN 94 HG2 GLN 94 3.096 26.838 19.390 798 HG3 GLN 94 HG3 GLN 94 3.922 25.465 18.667 799 HE21 GLN 94 HE21 GLN 94 1.033 26.104 19.181 800 HE22 GLN 94 HE22 GLN 94 0.410 24.726 20.019 801 H GLU 95 H GLU 95 5.556 28.617 22.158 802 HA GLU 95 HA GLU 95 7.939 27.448 23.314 803 HB2 GLU 95 HB2 GLU 95 8.959 29.674 22.899 804 HB3 GLU 95 HB3 GLU 95 8.225 28.968 21.475 805 HG2 GLU 95 HG2 GLU 95 7.591 31.171 21.261 806 HG3 GLU 95 HG3 GLU 95 6.187 30.487 22.061 807 H ARG 96 H ARG 96 5.169 28.622 24.736 808 HA ARG 96 HA ARG 96 6.603 29.426 27.207 809 HB2 ARG 96 HB2 ARG 96 4.606 30.701 27.857 810 HB3 ARG 96 HB3 ARG 96 5.234 31.247 26.303 811 HG2 ARG 96 HG2 ARG 96 3.453 29.857 25.181 812 HG3 ARG 96 HG3 ARG 96 2.786 29.525 26.780 813 HD2 ARG 96 HD2 ARG 96 1.602 31.371 25.620 814 HD3 ARG 96 HD3 ARG 96 2.344 31.894 27.138 815 HE ARG 96 HE ARG 96 4.186 32.378 25.088 816 HH11 ARG 96 HH11 ARG 96 0.976 33.529 25.932 817 HH12 ARG 96 HH12 ARG 96 1.270 35.129 25.333 818 HH21 ARG 96 HH21 ARG 96 4.562 34.468 24.352 819 HH22 ARG 96 HH22 ARG 96 3.306 35.664 24.427 820 H TRP 97 H TRP 97 3.879 27.454 25.952 821 HA TRP 97 HA TRP 97 3.322 26.355 28.590 822 HB2 TRP 97 HB2 TRP 97 2.155 25.570 25.892 823 HB3 TRP 97 HB3 TRP 97 1.585 25.001 27.457 824 HD1 TRP 97 HD1 TRP 97 -0.090 26.725 25.186 825 HE1 TRP 97 HE1 TRP 97 -1.341 28.822 25.950 826 HE3 TRP 97 HE3 TRP 97 2.409 27.685 29.598 827 HZ2 TRP 97 HZ2 TRP 97 -1.306 30.641 28.068 828 HZ3 TRP 97 HZ3 TRP 97 1.712 29.641 30.921 829 HH2 TRP 97 HH2 TRP 97 -0.110 31.086 30.168 830 H GLY 98 H GLY 98 4.668 25.175 25.497 831 HA2 GLY 98 HA2 GLY 98 5.687 22.703 26.654 832 HA3 GLY 98 HA3 GLY 98 6.042 23.354 25.055 833 H ARG 99 H ARG 99 7.790 24.662 24.740 834 HA ARG 99 HA ARG 99 9.111 26.241 26.627 835 HB2 ARG 99 HB2 ARG 99 9.844 23.864 27.411 836 HB3 ARG 99 HB3 ARG 99 10.823 23.797 25.956 837 HG2 ARG 99 HG2 ARG 99 11.187 26.172 27.765 838 HG3 ARG 99 HG3 ARG 99 11.784 24.618 28.341 839 HD2 ARG 99 HD2 ARG 99 12.562 25.786 25.647 840 HD3 ARG 99 HD3 ARG 99 13.477 26.081 27.130 841 HE ARG 99 HE ARG 99 13.170 23.329 26.898 842 HH11 ARG 99 HH11 ARG 99 14.708 25.806 24.925 843 HH12 ARG 99 HH12 ARG 99 16.026 24.773 24.486 844 HH21 ARG 99 HH21 ARG 99 14.887 22.020 26.314 845 HH22 ARG 99 HH22 ARG 99 16.128 22.632 25.269 846 H ARG 100 H ARG 100 10.868 27.426 25.620 847 HA ARG 100 HA ARG 100 10.368 27.749 22.781 848 HB2 ARG 100 HB2 ARG 100 11.692 29.819 22.986 849 HB3 ARG 100 HB3 ARG 100 10.425 29.722 24.203 850 HG2 ARG 100 HG2 ARG 100 12.093 29.085 25.912 851 HG3 ARG 100 HG3 ARG 100 13.370 29.142 24.689 852 HD2 ARG 100 HD2 ARG 100 12.889 31.550 24.327 853 HD3 ARG 100 HD3 ARG 100 11.661 31.488 25.596 854 HE ARG 100 HE ARG 100 14.073 30.580 26.693 855 HH11 ARG 100 HH11 ARG 100 12.761 33.570 25.373 856 HH12 ARG 100 HH12 ARG 100 13.753 34.586 26.365 857 HH21 ARG 100 HH21 ARG 100 15.367 31.938 27.994 858 HH22 ARG 100 HH22 ARG 100 15.223 33.661 27.859 859 H ARG 101 H ARG 101 12.179 28.305 21.300 860 HA ARG 101 HA ARG 101 14.498 26.476 21.518 861 HB2 ARG 101 HB2 ARG 101 13.350 28.009 19.138 862 HB3 ARG 101 HB3 ARG 101 14.748 26.944 19.063 863 HG2 ARG 101 HG2 ARG 101 11.965 25.995 19.837 864 HG3 ARG 101 HG3 ARG 101 12.575 25.982 18.185 865 HD2 ARG 101 HD2 ARG 101 12.881 23.771 19.022 866 HD3 ARG 101 HD3 ARG 101 14.481 24.512 19.008 867 HE ARG 101 HE ARG 101 13.044 24.650 21.538 868 HH11 ARG 101 HH11 ARG 101 15.463 22.899 19.670 869 HH12 ARG 101 HH12 ARG 101 16.059 22.036 21.049 870 HH21 ARG 101 HH21 ARG 101 13.835 23.541 23.297 871 HH22 ARG 101 HH22 ARG 101 15.134 22.406 23.113 872 H GLU 102 H GLU 102 14.142 29.065 22.945 873 HA GLU 102 HA GLU 102 14.893 31.142 23.332 874 HB2 GLU 102 HB2 GLU 102 17.523 29.871 22.472 875 HB3 GLU 102 HB3 GLU 102 17.398 31.417 23.298 876 HG2 GLU 102 HG2 GLU 102 17.972 29.871 24.975 877 HG3 GLU 102 HG3 GLU 102 16.251 30.170 25.206 878 H SER 103 H SER 103 17.268 30.779 20.724 879 HA SER 103 HA SER 103 15.781 31.911 18.626 880 HB2 SER 103 HB2 SER 103 16.003 34.001 20.009 881 HB3 SER 103 HB3 SER 103 17.759 33.852 19.922 882 HG SER 103 HG SER 103 15.997 34.120 17.703 883 H LYS 104 H LYS 104 16.830 31.370 16.775 884 HA LYS 104 HA LYS 104 19.731 31.184 16.608 885 HB2 LYS 104 HB2 LYS 104 19.008 28.914 17.418 886 HB3 LYS 104 HB3 LYS 104 17.968 28.755 16.009 887 HG2 LYS 104 HG2 LYS 104 20.031 27.498 15.675 888 HG3 LYS 104 HG3 LYS 104 19.959 28.846 14.533 889 HD2 LYS 104 HD2 LYS 104 21.464 30.158 16.048 890 HD3 LYS 104 HD3 LYS 104 21.580 28.756 17.116 891 HE2 LYS 104 HE2 LYS 104 22.679 27.467 15.348 892 HE3 LYS 104 HE3 LYS 104 22.461 28.798 14.205 893 HZ1 LYS 104 HZ1 LYS 104 24.687 28.801 15.089 894 HZ2 LYS 104 HZ2 LYS 104 24.110 28.870 16.672 895 HZ3 LYS 104 HZ3 LYS 104 23.865 30.173 15.631 896 H LYS 105 H LYS 105 16.927 29.957 14.746 897 HA LYS 105 HA LYS 105 17.066 32.076 12.797 898 HB2 LYS 105 HB2 LYS 105 18.869 30.568 11.986 899 HB3 LYS 105 HB3 LYS 105 17.752 29.205 12.035 900 HG2 LYS 105 HG2 LYS 105 16.350 30.449 10.305 901 HG3 LYS 105 HG3 LYS 105 17.697 31.562 10.139 902 HD2 LYS 105 HD2 LYS 105 17.726 28.573 9.597 903 HD3 LYS 105 HD3 LYS 105 17.770 29.854 8.382 904 HE2 LYS 105 HE2 LYS 105 19.979 30.584 9.261 905 HE3 LYS 105 HE3 LYS 105 19.930 29.274 10.443 906 HZ1 LYS 105 HZ1 LYS 105 19.853 27.706 8.595 907 HZ2 LYS 105 HZ2 LYS 105 21.249 28.659 8.565 908 HZ3 LYS 105 HZ3 LYS 105 19.986 28.987 7.503 909 H LYS 106 H LYS 106 15.924 28.854 12.009 910 HA LYS 106 HA LYS 106 13.341 28.820 13.119 911 HB2 LYS 106 HB2 LYS 106 11.954 29.315 11.139 912 HB3 LYS 106 HB3 LYS 106 12.932 30.721 11.539 913 HG2 LYS 106 HG2 LYS 106 14.362 29.080 9.614 914 HG3 LYS 106 HG3 LYS 106 12.729 29.368 9.023 915 HD2 LYS 106 HD2 LYS 106 14.734 31.510 9.850 916 HD3 LYS 106 HD3 LYS 106 14.325 31.059 8.192 917 HE2 LYS 106 HE2 LYS 106 11.977 31.790 8.609 918 HE3 LYS 106 HE3 LYS 106 12.450 32.309 10.231 919 HZ1 LYS 106 HZ1 LYS 106 14.030 33.836 9.197 920 HZ2 LYS 106 HZ2 LYS 106 12.441 34.152 8.721 921 HZ3 LYS 106 HZ3 LYS 106 13.495 33.359 7.667 922 H LYS 107 H LYS 107 12.058 27.329 11.022 923 HA LYS 107 HA LYS 107 13.945 25.185 10.277 924 HB2 LYS 107 HB2 LYS 107 12.550 24.608 12.361 925 HB3 LYS 107 HB3 LYS 107 11.125 24.657 11.328 926 HG2 LYS 107 HG2 LYS 107 11.907 22.354 11.655 927 HG3 LYS 107 HG3 LYS 107 12.029 22.835 9.955 928 HD2 LYS 107 HD2 LYS 107 14.503 23.415 10.472 929 HD3 LYS 107 HD3 LYS 107 14.269 22.542 11.990 930 HE2 LYS 107 HE2 LYS 107 13.972 21.422 9.189 931 HE3 LYS 107 HE3 LYS 107 15.281 21.081 10.319 932 HZ1 LYS 107 HZ1 LYS 107 13.742 19.274 10.341 933 HZ2 LYS 107 HZ2 LYS 107 12.427 20.301 10.601 934 HZ3 LYS 107 HZ3 LYS 107 13.588 20.088 11.812 935 H LEU 108 H LEU 108 13.041 23.815 8.489 936 HA LEU 108 HA LEU 108 11.944 25.379 6.362 937 HB2 LEU 108 HB2 LEU 108 13.630 23.388 6.243 938 HB3 LEU 108 HB3 LEU 108 12.235 22.345 6.353 939 HG LEU 108 HG LEU 108 13.130 22.632 4.030 940 HD11 LEU 108 HD11 LEU 108 10.301 23.646 4.309 941 HD12 LEU 108 HD12 LEU 108 10.806 21.955 4.310 942 HD13 LEU 108 HD13 LEU 108 11.028 22.936 2.862 943 HD21 LEU 108 HD21 LEU 108 12.185 25.498 4.276 944 HD22 LEU 108 HD22 LEU 108 12.770 24.714 2.804 945 HD23 LEU 108 HD23 LEU 108 13.860 24.946 4.168 946 H TRP 109 H TRP 109 9.850 25.915 6.315 947 HA TRP 109 HA TRP 109 7.723 24.030 7.117 948 HB2 TRP 109 HB2 TRP 109 7.679 27.022 6.514 949 HB3 TRP 109 HB3 TRP 109 6.220 26.075 6.768 950 HD1 TRP 109 HD1 TRP 109 9.509 26.448 8.842 951 HE1 TRP 109 HE1 TRP 109 8.859 26.886 11.277 952 HE3 TRP 109 HE3 TRP 109 4.419 26.436 8.324 953 HZ2 TRP 109 HZ2 TRP 109 6.510 27.206 12.794 954 HZ3 TRP 109 HZ3 TRP 109 3.033 26.833 10.330 955 HH2 TRP 109 HH2 TRP 109 4.063 27.216 12.524 956 H MET 110 H MET 110 5.833 23.873 5.611 957 HA MET 110 HA MET 110 6.385 24.423 2.791 958 HB2 MET 110 HB2 MET 110 5.941 22.141 2.052 959 HB3 MET 110 HB3 MET 110 7.300 22.159 3.162 960 HG2 MET 110 HG2 MET 110 5.791 21.340 4.953 961 HG3 MET 110 HG3 MET 110 4.488 21.246 3.760 962 HE1 MET 110 HE1 MET 110 3.895 18.887 3.130 963 HE2 MET 110 HE2 MET 110 4.454 18.632 4.785 964 HE3 MET 110 HE3 MET 110 4.941 17.518 3.507 965 H ALA 111 H ALA 111 4.625 24.811 1.598 966 HA ALA 111 HA ALA 111 1.990 24.859 2.930 967 HB1 ALA 111 HB1 ALA 111 1.458 26.693 1.342 968 HB2 ALA 111 HB2 ALA 111 3.103 26.593 0.694 969 HB3 ALA 111 HB3 ALA 111 2.840 27.069 2.370 970 H ILE 112 H ILE 112 1.052 23.001 2.315 971 HA ILE 112 HA ILE 112 1.142 21.973 -0.412 972 HB ILE 112 HB ILE 112 -0.586 20.988 1.903 973 HG12 ILE 112 HG12 ILE 112 2.201 19.936 1.253 974 HG13 ILE 112 HG13 ILE 112 1.853 21.046 2.577 975 HG21 ILE 112 HG21 ILE 112 0.426 19.537 -0.562 976 HG22 ILE 112 HG22 ILE 112 -1.214 20.139 -0.315 977 HG23 ILE 112 HG23 ILE 112 -0.592 18.841 0.705 978 HD11 ILE 112 HD11 ILE 112 0.741 18.250 2.280 979 HD12 ILE 112 HD12 ILE 112 0.391 19.368 3.604 980 HD13 ILE 112 HD13 ILE 112 2.028 18.760 3.372 981 H GLU 113 H GLU 113 -0.354 22.724 -1.941 982 HA GLU 113 HA GLU 113 -2.642 24.313 -1.038 983 HB2 GLU 113 HB2 GLU 113 -1.429 25.054 -3.045 984 HB3 GLU 113 HB3 GLU 113 -1.768 23.528 -3.854 985 HG2 GLU 113 HG2 GLU 113 -4.166 24.048 -3.880 986 HG3 GLU 113 HG3 GLU 113 -3.869 25.553 -3.010 987 H LEU 114 H LEU 114 -4.686 23.562 -0.837 988 HA LEU 114 HA LEU 114 -5.293 20.769 -1.579 989 HB2 LEU 114 HB2 LEU 114 -5.828 22.337 0.943 990 HB3 LEU 114 HB3 LEU 114 -7.024 21.153 0.466 991 HG LEU 114 HG LEU 114 -5.593 20.093 2.043 992 HD11 LEU 114 HD11 LEU 114 -6.271 18.660 0.282 993 HD12 LEU 114 HD12 LEU 114 -4.616 18.255 0.702 994 HD13 LEU 114 HD13 LEU 114 -4.946 19.178 -0.761 995 HD21 LEU 114 HD21 LEU 114 -3.169 19.864 1.792 996 HD22 LEU 114 HD22 LEU 114 -3.645 21.557 1.954 997 HD23 LEU 114 HD23 LEU 114 -3.208 20.911 0.369 998 H GLU 115 H GLU 115 -6.543 20.864 -3.350 999 HA GLU 115 HA GLU 115 -8.827 22.764 -3.466 1000 HB2 GLU 115 HB2 GLU 115 -8.871 22.405 -5.856 1001 HB3 GLU 115 HB3 GLU 115 -7.205 22.762 -5.402 1002 HG2 GLU 115 HG2 GLU 115 -6.494 20.540 -5.743 1003 HG3 GLU 115 HG3 GLU 115 -8.129 19.900 -5.676 1004 H ASP 116 H ASP 116 -10.813 21.881 -4.485 1005 HA ASP 116 HA ASP 116 -12.548 20.444 -4.750 1006 HB2 ASP 116 HB2 ASP 116 -10.904 19.565 -6.449 1007 HB3 ASP 116 HB3 ASP 116 -10.322 18.410 -5.256 1008 H VAL 117 H VAL 117 -11.886 20.926 -2.118 1009 HA VAL 117 HA VAL 117 -11.373 18.619 -0.574 1010 HB VAL 117 HB VAL 117 -12.641 21.194 0.428 1011 HG11 VAL 117 HG11 VAL 117 -12.779 19.282 1.999 1012 HG12 VAL 117 HG12 VAL 117 -11.713 20.547 2.606 1013 HG13 VAL 117 HG13 VAL 117 -11.026 19.079 1.905 1014 HG21 VAL 117 HG21 VAL 117 -10.357 21.963 0.970 1015 HG22 VAL 117 HG22 VAL 117 -10.535 21.717 -0.768 1016 HG23 VAL 117 HG23 VAL 117 -9.675 20.525 0.208 1017 H LYS 118 H LYS 118 -12.718 16.961 -0.560 1018 HA LYS 118 HA LYS 118 -15.573 17.359 -1.076 1019 HB2 LYS 118 HB2 LYS 118 -13.879 15.875 -2.454 1020 HB3 LYS 118 HB3 LYS 118 -14.133 14.697 -1.181 1021 HG2 LYS 118 HG2 LYS 118 -15.582 14.213 -3.070 1022 HG3 LYS 118 HG3 LYS 118 -16.553 14.685 -1.674 1023 HD2 LYS 118 HD2 LYS 118 -17.320 15.663 -3.876 1024 HD3 LYS 118 HD3 LYS 118 -17.015 16.853 -2.610 1025 HE2 LYS 118 HE2 LYS 118 -16.163 17.571 -4.836 1026 HE3 LYS 118 HE3 LYS 118 -14.884 17.455 -3.631 1027 HZ1 LYS 118 HZ1 LYS 118 -14.227 15.337 -4.579 1028 HZ2 LYS 118 HZ2 LYS 118 -14.205 16.538 -5.761 1029 HZ3 LYS 118 HZ3 LYS 118 -15.471 15.417 -5.719 1030 H LYS 119 H LYS 119 -16.764 17.440 0.690 1031 HA LYS 119 HA LYS 119 -16.198 16.324 3.220 1032 HB2 LYS 119 HB2 LYS 119 -18.481 17.764 1.937 1033 HB3 LYS 119 HB3 LYS 119 -18.935 16.744 3.288 1034 HG2 LYS 119 HG2 LYS 119 -16.812 18.912 3.442 1035 HG3 LYS 119 HG3 LYS 119 -18.505 19.139 3.895 1036 HD2 LYS 119 HD2 LYS 119 -16.494 17.250 5.202 1037 HD3 LYS 119 HD3 LYS 119 -17.189 18.713 5.906 1038 HE2 LYS 119 HE2 LYS 119 -19.461 17.590 5.762 1039 HE3 LYS 119 HE3 LYS 119 -18.623 16.117 5.272 1040 HZ1 LYS 119 HZ1 LYS 119 -19.151 16.186 7.622 1041 HZ2 LYS 119 HZ2 LYS 119 -18.157 17.540 7.812 1042 HZ3 LYS 119 HZ3 LYS 119 -17.494 16.061 7.329 1043 H TYR 120 H TYR 120 -16.311 14.251 3.842 1044 HA TYR 120 HA TYR 120 -17.700 12.212 2.356 1045 HB2 TYR 120 HB2 TYR 120 -16.232 12.168 5.019 1046 HB3 TYR 120 HB3 TYR 120 -17.074 10.756 4.384 1047 HD1 TYR 120 HD1 TYR 120 -16.171 11.478 1.372 1048 HD2 TYR 120 HD2 TYR 120 -14.121 10.931 5.080 1049 HE1 TYR 120 HE1 TYR 120 -14.158 10.760 0.162 1050 HE2 TYR 120 HE2 TYR 120 -12.118 10.216 3.869 1051 HH TYR 120 HH TYR 120 -11.762 10.610 0.516 1052 H ASP 121 H ASP 121 -19.816 13.027 2.358 1053 HA ASP 121 HA ASP 121 -21.440 13.370 4.666 1054 HB2 ASP 121 HB2 ASP 121 -22.040 14.240 2.406 1055 HB3 ASP 121 HB3 ASP 121 -22.227 12.588 1.815 1056 H LYS 122 H LYS 122 -20.486 10.600 2.716 1057 HA LYS 122 HA LYS 122 -21.910 8.658 4.323 1058 HB2 LYS 122 HB2 LYS 122 -20.619 6.977 3.021 1059 HB3 LYS 122 HB3 LYS 122 -21.475 8.110 1.986 1060 HG2 LYS 122 HG2 LYS 122 -19.407 9.279 1.450 1061 HG3 LYS 122 HG3 LYS 122 -18.514 8.315 2.628 1062 HD2 LYS 122 HD2 LYS 122 -18.059 7.478 0.384 1063 HD3 LYS 122 HD3 LYS 122 -18.975 6.271 1.290 1064 HE2 LYS 122 HE2 LYS 122 -21.052 7.041 0.130 1065 HE3 LYS 122 HE3 LYS 122 -20.077 8.167 -0.817 1066 HZ1 LYS 122 HZ1 LYS 122 -19.872 5.209 -0.828 1067 HZ2 LYS 122 HZ2 LYS 122 -18.837 6.247 -1.667 1068 HZ3 LYS 122 HZ3 LYS 122 -20.477 6.185 -2.067 1069 HA PRO 123 HA PRO 123 -18.630 8.680 7.464 1070 HB2 PRO 123 HB2 PRO 123 -19.593 6.753 9.114 1071 HB3 PRO 123 HB3 PRO 123 -20.400 8.320 8.952 1072 HG2 PRO 123 HG2 PRO 123 -21.104 5.686 7.666 1073 HG3 PRO 123 HG3 PRO 123 -22.181 6.884 8.414 1074 HD2 PRO 123 HD2 PRO 123 -21.762 6.694 5.685 1075 HD3 PRO 123 HD3 PRO 123 -22.258 8.190 6.501 1076 H ILE 124 H ILE 124 -17.046 7.960 5.868 1077 HA ILE 124 HA ILE 124 -16.587 5.174 5.336 1078 HB ILE 124 HB ILE 124 -14.702 7.542 4.914 1079 HG12 ILE 124 HG12 ILE 124 -16.666 6.164 3.036 1080 HG13 ILE 124 HG13 ILE 124 -16.744 7.825 3.606 1081 HG21 ILE 124 HG21 ILE 124 -13.441 5.425 5.006 1082 HG22 ILE 124 HG22 ILE 124 -13.454 6.064 3.364 1083 HG23 ILE 124 HG23 ILE 124 -14.510 4.717 3.791 1084 HD11 ILE 124 HD11 ILE 124 -14.693 6.661 1.725 1085 HD12 ILE 124 HD12 ILE 124 -14.702 8.322 2.319 1086 HD13 ILE 124 HD13 ILE 124 -16.025 7.738 1.313 1087 H LYS 125 H LYS 125 -15.481 3.735 6.490 1088 HA LYS 125 HA LYS 125 -14.634 4.366 9.153 1089 HB2 LYS 125 HB2 LYS 125 -14.155 1.899 9.253 1090 HB3 LYS 125 HB3 LYS 125 -15.791 2.303 8.737 1091 HG2 LYS 125 HG2 LYS 125 -14.985 2.010 6.339 1092 HG3 LYS 125 HG3 LYS 125 -13.493 1.350 7.011 1093 HD2 LYS 125 HD2 LYS 125 -15.047 -0.426 6.341 1094 HD3 LYS 125 HD3 LYS 125 -14.763 -0.463 8.081 1095 HE2 LYS 125 HE2 LYS 125 -16.938 0.713 8.421 1096 HE3 LYS 125 HE3 LYS 125 -17.208 0.684 6.678 1097 HZ1 LYS 125 HZ1 LYS 125 -16.941 -1.694 8.428 1098 HZ2 LYS 125 HZ2 LYS 125 -17.211 -1.718 6.762 1099 HZ3 LYS 125 HZ3 LYS 125 -18.386 -1.082 7.793 1100 HA PRO 126 HA PRO 126 -10.183 4.837 8.132 1101 HB2 PRO 126 HB2 PRO 126 -9.294 5.100 10.707 1102 HB3 PRO 126 HB3 PRO 126 -10.085 6.427 9.840 1103 HG2 PRO 126 HG2 PRO 126 -11.287 4.470 11.799 1104 HG3 PRO 126 HG3 PRO 126 -11.465 6.234 11.749 1105 HD2 PRO 126 HD2 PRO 126 -13.365 4.598 10.743 1106 HD3 PRO 126 HD3 PRO 126 -13.002 6.158 9.976 1107 H LYS 127 H LYS 127 -8.521 3.365 8.107 1108 HA LYS 127 HA LYS 127 -9.108 0.620 8.886 1109 HB2 LYS 127 HB2 LYS 127 -6.845 1.854 7.257 1110 HB3 LYS 127 HB3 LYS 127 -6.889 0.145 7.672 1111 HG2 LYS 127 HG2 LYS 127 -7.726 0.371 5.433 1112 HG3 LYS 127 HG3 LYS 127 -9.081 -0.056 6.481 1113 HD2 LYS 127 HD2 LYS 127 -9.715 2.400 6.514 1114 HD3 LYS 127 HD3 LYS 127 -8.448 2.688 5.317 1115 HE2 LYS 127 HE2 LYS 127 -10.863 0.875 4.945 1116 HE3 LYS 127 HE3 LYS 127 -10.671 2.489 4.260 1117 HZ1 LYS 127 HZ1 LYS 127 -8.988 0.115 3.637 1118 HZ2 LYS 127 HZ2 LYS 127 -8.746 1.666 3.016 1119 HZ3 LYS 127 HZ3 LYS 127 -10.148 0.810 2.625 1120 H ARG 128 H ARG 128 -7.657 3.214 10.393 1121 HA ARG 128 HA ARG 128 -6.881 1.716 12.685 1122 HB2 ARG 128 HB2 ARG 128 -4.496 2.335 12.772 1123 HB3 ARG 128 HB3 ARG 128 -4.811 1.378 11.330 1124 HG2 ARG 128 HG2 ARG 128 -4.750 3.382 9.931 1125 HG3 ARG 128 HG3 ARG 128 -4.564 4.414 11.357 1126 HD2 ARG 128 HD2 ARG 128 -2.579 2.306 10.439 1127 HD3 ARG 128 HD3 ARG 128 -2.417 4.047 10.186 1128 HE ARG 128 HE ARG 128 -2.659 3.943 12.852 1129 HH11 ARG 128 HH11 ARG 128 -0.620 2.021 10.722 1130 HH12 ARG 128 HH12 ARG 128 0.644 1.847 11.897 1131 HH21 ARG 128 HH21 ARG 128 -0.975 3.721 14.363 1132 HH22 ARG 128 HH22 ARG 128 0.446 2.820 13.955 1133 H LEU 129 H LEU 129 -5.850 3.341 14.353 1134 HA LEU 129 HA LEU 129 -7.146 5.900 14.347 1135 HB2 LEU 129 HB2 LEU 129 -5.486 4.359 16.221 1136 HB3 LEU 129 HB3 LEU 129 -4.970 6.027 16.195 1137 HG LEU 129 HG LEU 129 -6.517 5.767 17.986 1138 HD11 LEU 129 HD11 LEU 129 -7.919 7.208 15.720 1139 HD12 LEU 129 HD12 LEU 129 -6.690 7.873 16.800 1140 HD13 LEU 129 HD13 LEU 129 -8.257 7.396 17.445 1141 HD21 LEU 129 HD21 LEU 129 -8.819 4.965 17.724 1142 HD22 LEU 129 HD22 LEU 129 -7.652 3.729 17.265 1143 HD23 LEU 129 HD23 LEU 129 -8.523 4.622 16.014 1144 H VAL 130 H VAL 130 -6.388 7.820 13.634 1145 HA VAL 130 HA VAL 130 -3.624 8.018 12.606 1146 HB VAL 130 HB VAL 130 -5.960 9.896 12.034 1147 HG11 VAL 130 HG11 VAL 130 -4.529 10.804 10.230 1148 HG12 VAL 130 HG12 VAL 130 -3.220 9.726 10.721 1149 HG13 VAL 130 HG13 VAL 130 -3.771 10.999 11.814 1150 HG21 VAL 130 HG21 VAL 130 -4.850 7.682 10.265 1151 HG22 VAL 130 HG22 VAL 130 -6.070 8.864 9.778 1152 HG23 VAL 130 HG23 VAL 130 -6.434 7.693 11.049 1153 HA PRO 131 HA PRO 131 -3.229 10.496 16.526 1154 HB2 PRO 131 HB2 PRO 131 -0.482 10.302 16.632 1155 HB3 PRO 131 HB3 PRO 131 -1.565 9.053 17.264 1156 HG2 PRO 131 HG2 PRO 131 -0.172 9.161 14.585 1157 HG3 PRO 131 HG3 PRO 131 -0.277 7.806 15.730 1158 HD2 PRO 131 HD2 PRO 131 -1.894 7.921 13.581 1159 HD3 PRO 131 HD3 PRO 131 -2.502 7.303 15.142 1160 H VAL 132 H VAL 132 -1.828 12.501 16.922 1161 HA VAL 132 HA VAL 132 -2.452 14.413 14.971 1162 HB VAL 132 HB VAL 132 -1.115 16.017 16.396 1163 HG11 VAL 132 HG11 VAL 132 -2.593 15.872 18.372 1164 HG12 VAL 132 HG12 VAL 132 -3.067 14.238 17.902 1165 HG13 VAL 132 HG13 VAL 132 -3.497 15.610 16.876 1166 HG21 VAL 132 HG21 VAL 132 0.663 14.473 17.145 1167 HG22 VAL 132 HG22 VAL 132 -0.522 13.535 18.058 1168 HG23 VAL 132 HG23 VAL 132 -0.155 15.195 18.534 1169 H GLY 133 H GLY 133 0.454 12.525 15.247 1170 HA2 GLY 133 HA2 GLY 133 2.239 14.149 13.730 1171 HA3 GLY 133 HA3 GLY 133 2.379 12.419 14.001 1172 H GLY 134 H GLY 134 -0.381 12.082 12.844 1173 HA2 GLY 134 HA2 GLY 134 -1.523 12.039 10.833 1174 HA3 GLY 134 HA3 GLY 134 -0.152 12.779 10.025 1175 H GLN 135 H GLN 135 -1.780 10.379 9.344 1176 HA GLN 135 HA GLN 135 0.375 8.347 9.164 1177 HB2 GLN 135 HB2 GLN 135 -2.645 8.011 8.823 1178 HB3 GLN 135 HB3 GLN 135 -1.468 6.742 8.506 1179 HG2 GLN 135 HG2 GLN 135 -2.098 8.014 11.183 1180 HG3 GLN 135 HG3 GLN 135 -2.502 6.379 10.661 1181 HE21 GLN 135 HE21 GLN 135 -0.029 8.455 11.898 1182 HE22 GLN 135 HE22 GLN 135 1.158 7.233 12.187 1183 H TYR 136 H TYR 136 0.912 7.523 7.142 1184 HA TYR 136 HA TYR 136 0.153 9.156 4.828 1185 HB2 TYR 136 HB2 TYR 136 2.545 7.589 5.557 1186 HB3 TYR 136 HB3 TYR 136 1.998 7.179 3.938 1187 HD1 TYR 136 HD1 TYR 136 1.253 9.383 2.502 1188 HD2 TYR 136 HD2 TYR 136 4.138 9.350 5.659 1189 HE1 TYR 136 HE1 TYR 136 2.283 11.413 1.580 1190 HE2 TYR 136 HE2 TYR 136 5.158 11.379 4.736 1191 HH TYR 136 HH TYR 136 5.331 12.532 2.586 1192 H LEU 137 H LEU 137 -1.438 8.548 3.573 1193 HA LEU 137 HA LEU 137 -2.549 5.855 3.640 1194 HB2 LEU 137 HB2 LEU 137 -3.726 8.323 3.372 1195 HB3 LEU 137 HB3 LEU 137 -3.570 7.900 1.683 1196 HG LEU 137 HG LEU 137 -5.176 6.443 3.815 1197 HD11 LEU 137 HD11 LEU 137 -6.040 7.822 1.262 1198 HD12 LEU 137 HD12 LEU 137 -6.241 8.428 2.907 1199 HD13 LEU 137 HD13 LEU 137 -7.102 6.977 2.396 1200 HD21 LEU 137 HD21 LEU 137 -4.734 5.505 0.956 1201 HD22 LEU 137 HD22 LEU 137 -5.882 4.811 2.102 1202 HD23 LEU 137 HD23 LEU 137 -4.154 4.707 2.419 1203 H ARG 138 H ARG 138 -1.845 4.335 2.241 1204 HA ARG 138 HA ARG 138 -0.889 5.083 -0.434 1205 HB2 ARG 138 HB2 ARG 138 0.973 3.480 -0.344 1206 HB3 ARG 138 HB3 ARG 138 1.176 4.765 0.829 1207 HG2 ARG 138 HG2 ARG 138 0.114 2.036 1.602 1208 HG3 ARG 138 HG3 ARG 138 1.842 2.384 1.513 1209 HD2 ARG 138 HD2 ARG 138 1.496 4.221 3.188 1210 HD3 ARG 138 HD3 ARG 138 -0.192 3.712 3.342 1211 HE ARG 138 HE ARG 138 1.324 1.442 3.768 1212 HH11 ARG 138 HH11 ARG 138 0.995 4.554 5.369 1213 HH12 ARG 138 HH12 ARG 138 1.481 3.936 6.912 1214 HH21 ARG 138 HH21 ARG 138 1.965 0.662 5.782 1215 HH22 ARG 138 HH22 ARG 138 2.031 1.733 7.142 1216 H GLU 139 H GLU 139 -1.692 3.787 -2.055 1217 HA GLU 139 HA GLU 139 -2.950 1.234 -1.401 1218 HB2 GLU 139 HB2 GLU 139 -4.607 2.923 -0.614 1219 HB3 GLU 139 HB3 GLU 139 -4.648 3.638 -2.222 1220 HG2 GLU 139 HG2 GLU 139 -5.655 1.650 -3.154 1221 HG3 GLU 139 HG3 GLU 139 -5.456 0.774 -1.636 Start of MODEL 13 1 H MET 1 H MET 1 -1.990 -0.561 -0.683 2 HA MET 1 HA MET 1 0.356 -1.028 -0.759 3 HB2 MET 1 HB2 MET 1 -0.955 -0.332 -3.398 4 HB3 MET 1 HB3 MET 1 0.584 -1.166 -3.284 5 HG2 MET 1 HG2 MET 1 -2.041 -2.204 -2.197 6 HG3 MET 1 HG3 MET 1 -1.261 -2.733 -3.690 7 HE1 MET 1 HE1 MET 1 2.018 -4.462 -2.279 8 HE2 MET 1 HE2 MET 1 1.867 -2.778 -2.787 9 HE3 MET 1 HE3 MET 1 1.111 -4.060 -3.735 10 H SER 2 H SER 2 2.418 -0.550 -1.853 11 HA SER 2 HA SER 2 3.433 1.896 -0.952 12 HB2 SER 2 HB2 SER 2 4.729 -0.106 -2.841 13 HB3 SER 2 HB3 SER 2 5.577 1.091 -1.865 14 HG SER 2 HG SER 2 4.345 -0.089 -0.049 15 H LYS 3 H LYS 3 1.879 1.322 -3.937 16 HA LYS 3 HA LYS 3 2.965 3.301 -5.619 17 HB2 LYS 3 HB2 LYS 3 0.654 3.377 -6.635 18 HB3 LYS 3 HB3 LYS 3 1.315 1.752 -6.485 19 HG2 LYS 3 HG2 LYS 3 -0.087 1.259 -4.593 20 HG3 LYS 3 HG3 LYS 3 -0.618 2.937 -4.457 21 HD2 LYS 3 HD2 LYS 3 -1.199 1.202 -6.893 22 HD3 LYS 3 HD3 LYS 3 -2.281 1.307 -5.502 23 HE2 LYS 3 HE2 LYS 3 -2.451 3.777 -5.868 24 HE3 LYS 3 HE3 LYS 3 -1.466 3.600 -7.326 25 HZ1 LYS 3 HZ1 LYS 3 -3.200 2.126 -8.216 26 HZ2 LYS 3 HZ2 LYS 3 -3.787 3.672 -7.876 27 HZ3 LYS 3 HZ3 LYS 3 -4.132 2.392 -6.829 28 H ILE 4 H ILE 4 1.456 3.695 -2.586 29 HA ILE 4 HA ILE 4 0.780 5.397 -1.296 30 HB ILE 4 HB ILE 4 1.772 7.422 -3.357 31 HG12 ILE 4 HG12 ILE 4 3.612 5.813 -3.025 32 HG13 ILE 4 HG13 ILE 4 4.023 7.340 -2.259 33 HG21 ILE 4 HG21 ILE 4 1.607 7.613 -0.314 34 HG22 ILE 4 HG22 ILE 4 0.572 8.454 -1.469 35 HG23 ILE 4 HG23 ILE 4 2.285 8.853 -1.378 36 HD11 ILE 4 HD11 ILE 4 3.408 6.355 -0.071 37 HD12 ILE 4 HD12 ILE 4 4.714 5.495 -0.884 38 HD13 ILE 4 HD13 ILE 4 3.086 4.822 -0.887 39 H VAL 5 H VAL 5 -0.862 7.373 -1.357 40 HA VAL 5 HA VAL 5 -2.091 7.914 -3.938 41 HB VAL 5 HB VAL 5 -4.430 8.156 -2.804 42 HG11 VAL 5 HG11 VAL 5 -3.433 5.340 -3.378 43 HG12 VAL 5 HG12 VAL 5 -4.005 6.502 -4.575 44 HG13 VAL 5 HG13 VAL 5 -5.123 5.861 -3.370 45 HG21 VAL 5 HG21 VAL 5 -3.748 7.798 -0.468 46 HG22 VAL 5 HG22 VAL 5 -3.248 6.150 -0.851 47 HG23 VAL 5 HG23 VAL 5 -4.952 6.599 -0.956 48 H GLY 6 H GLY 6 -1.885 8.661 -0.462 49 HA2 GLY 6 HA2 GLY 6 -1.212 11.408 -0.884 50 HA3 GLY 6 HA3 GLY 6 -2.888 11.202 -0.372 51 H VAL 7 H VAL 7 -2.112 12.526 1.420 52 HA VAL 7 HA VAL 7 -1.119 10.815 3.636 53 HB VAL 7 HB VAL 7 0.310 12.868 3.032 54 HG11 VAL 7 HG11 VAL 7 -1.999 14.444 4.217 55 HG12 VAL 7 HG12 VAL 7 -1.484 14.465 2.529 56 HG13 VAL 7 HG13 VAL 7 -0.414 15.092 3.783 57 HG21 VAL 7 HG21 VAL 7 0.566 11.777 5.220 58 HG22 VAL 7 HG22 VAL 7 -0.743 12.755 5.885 59 HG23 VAL 7 HG23 VAL 7 0.761 13.527 5.378 60 H THR 8 H THR 8 -2.200 11.291 5.723 61 HA THR 8 HA THR 8 -4.846 12.532 5.551 62 HB THR 8 HB THR 8 -5.338 10.161 5.337 63 HG1 THR 8 HG1 THR 8 -6.686 11.445 6.740 64 HG21 THR 8 HG21 THR 8 -4.725 8.492 7.058 65 HG22 THR 8 HG22 THR 8 -3.758 9.707 7.898 66 HG23 THR 8 HG23 THR 8 -3.297 9.176 6.280 67 H TYR 9 H TYR 9 -5.385 13.740 7.280 68 HA TYR 9 HA TYR 9 -3.695 13.734 9.698 69 HB2 TYR 9 HB2 TYR 9 -3.999 15.976 7.728 70 HB3 TYR 9 HB3 TYR 9 -4.107 16.442 9.417 71 HD1 TYR 9 HD1 TYR 9 -2.170 16.265 10.898 72 HD2 TYR 9 HD2 TYR 9 -1.843 15.178 6.775 73 HE1 TYR 9 HE1 TYR 9 0.270 16.338 11.077 74 HE2 TYR 9 HE2 TYR 9 0.613 15.253 6.959 75 HH TYR 9 HH TYR 9 2.236 15.189 9.806 76 HA PRO 10 HA PRO 10 -7.644 14.113 11.764 77 HB2 PRO 10 HB2 PRO 10 -6.845 15.034 14.213 78 HB3 PRO 10 HB3 PRO 10 -6.540 13.376 13.678 79 HG2 PRO 10 HG2 PRO 10 -4.677 15.751 13.610 80 HG3 PRO 10 HG3 PRO 10 -4.353 14.099 14.182 81 HD2 PRO 10 HD2 PRO 10 -3.598 14.915 11.719 82 HD3 PRO 10 HD3 PRO 10 -4.146 13.251 12.017 83 H ILE 11 H ILE 11 -5.467 16.859 11.540 84 HA ILE 11 HA ILE 11 -5.606 19.080 11.888 85 HB ILE 11 HB ILE 11 -8.478 18.941 10.867 86 HG12 ILE 11 HG12 ILE 11 -7.073 17.615 9.304 87 HG13 ILE 11 HG13 ILE 11 -7.629 19.098 8.543 88 HG21 ILE 11 HG21 ILE 11 -7.989 21.194 9.937 89 HG22 ILE 11 HG22 ILE 11 -6.371 21.120 10.637 90 HG23 ILE 11 HG23 ILE 11 -7.785 21.143 11.692 91 HD11 ILE 11 HD11 ILE 11 -4.865 18.606 9.649 92 HD12 ILE 11 HD12 ILE 11 -5.419 20.090 8.868 93 HD13 ILE 11 HD13 ILE 11 -5.340 18.587 7.951 94 HA PRO 12 HA PRO 12 -7.869 18.493 15.947 95 HB2 PRO 12 HB2 PRO 12 -5.396 19.228 17.344 96 HB3 PRO 12 HB3 PRO 12 -6.229 17.673 17.327 97 HG2 PRO 12 HG2 PRO 12 -3.789 18.069 16.148 98 HG3 PRO 12 HG3 PRO 12 -4.957 16.858 15.576 99 HD2 PRO 12 HD2 PRO 12 -4.432 19.640 14.498 100 HD3 PRO 12 HD3 PRO 12 -4.621 18.106 13.611 101 H LYS 13 H LYS 13 -8.083 20.798 14.370 102 HA LYS 13 HA LYS 13 -8.253 22.981 16.328 103 HB2 LYS 13 HB2 LYS 13 -6.935 23.114 13.577 104 HB3 LYS 13 HB3 LYS 13 -7.561 24.559 14.369 105 HG2 LYS 13 HG2 LYS 13 -5.994 24.284 16.214 106 HG3 LYS 13 HG3 LYS 13 -5.421 22.753 15.545 107 HD2 LYS 13 HD2 LYS 13 -4.432 23.879 13.636 108 HD3 LYS 13 HD3 LYS 13 -5.166 25.421 14.093 109 HE2 LYS 13 HE2 LYS 13 -2.728 25.257 14.668 110 HE3 LYS 13 HE3 LYS 13 -3.760 25.572 16.062 111 HZ1 LYS 13 HZ1 LYS 13 -2.128 23.912 16.617 112 HZ2 LYS 13 HZ2 LYS 13 -2.579 22.945 15.307 113 HZ3 LYS 13 HZ3 LYS 13 -3.652 23.182 16.592 114 H ARG 14 H ARG 14 -9.822 24.578 15.714 115 HA ARG 14 HA ARG 14 -12.190 23.543 14.494 116 HB2 ARG 14 HB2 ARG 14 -13.214 25.668 15.067 117 HB3 ARG 14 HB3 ARG 14 -12.207 25.139 16.406 118 HG2 ARG 14 HG2 ARG 14 -10.446 26.754 15.707 119 HG3 ARG 14 HG3 ARG 14 -11.489 27.303 14.392 120 HD2 ARG 14 HD2 ARG 14 -13.204 27.965 16.102 121 HD3 ARG 14 HD3 ARG 14 -12.056 27.520 17.370 122 HE ARG 14 HE ARG 14 -11.259 29.541 15.381 123 HH11 ARG 14 HH11 ARG 14 -12.071 28.788 18.716 124 HH12 ARG 14 HH12 ARG 14 -11.667 30.368 19.298 125 HH21 ARG 14 HH21 ARG 14 -10.750 31.619 16.159 126 HH22 ARG 14 HH22 ARG 14 -10.918 31.967 17.848 127 H PHE 15 H PHE 15 -9.434 24.987 13.233 128 HA PHE 15 HA PHE 15 -10.544 26.296 10.914 129 HB2 PHE 15 HB2 PHE 15 -7.669 25.496 11.542 130 HB3 PHE 15 HB3 PHE 15 -8.173 26.596 10.261 131 HD1 PHE 15 HD1 PHE 15 -9.220 28.817 10.867 132 HD2 PHE 15 HD2 PHE 15 -7.434 26.285 13.816 133 HE1 PHE 15 HE1 PHE 15 -9.173 30.690 12.456 134 HE2 PHE 15 HE2 PHE 15 -7.395 28.165 15.400 135 HZ PHE 15 HZ PHE 15 -8.269 30.366 14.723 136 H MET 16 H MET 16 -10.578 23.138 11.621 137 HA MET 16 HA MET 16 -9.915 21.801 9.230 138 HB2 MET 16 HB2 MET 16 -10.584 20.693 11.395 139 HB3 MET 16 HB3 MET 16 -12.231 21.247 11.148 140 HG2 MET 16 HG2 MET 16 -12.334 19.868 9.068 141 HG3 MET 16 HG3 MET 16 -10.722 19.256 9.436 142 HE1 MET 16 HE1 MET 16 -14.533 19.255 10.436 143 HE2 MET 16 HE2 MET 16 -13.811 19.997 11.865 144 HE3 MET 16 HE3 MET 16 -14.509 18.381 11.967 145 H ASP 17 H ASP 17 -12.672 23.786 10.199 146 HA ASP 17 HA ASP 17 -14.516 23.168 8.154 147 HB2 ASP 17 HB2 ASP 17 -14.202 25.728 9.763 148 HB3 ASP 17 HB3 ASP 17 -15.611 25.336 8.784 149 H ARG 18 H ARG 18 -11.734 25.291 8.159 150 HA ARG 18 HA ARG 18 -12.169 27.075 6.069 151 HB2 ARG 18 HB2 ARG 18 -9.623 25.592 6.860 152 HB3 ARG 18 HB3 ARG 18 -9.643 26.909 5.688 153 HG2 ARG 18 HG2 ARG 18 -10.563 27.171 8.568 154 HG3 ARG 18 HG3 ARG 18 -8.950 27.594 7.987 155 HD2 ARG 18 HD2 ARG 18 -9.920 29.280 6.486 156 HD3 ARG 18 HD3 ARG 18 -11.546 28.840 7.020 157 HE ARG 18 HE ARG 18 -9.476 30.027 8.790 158 HH11 ARG 18 HH11 ARG 18 -12.854 29.728 7.838 159 HH12 ARG 18 HH12 ARG 18 -13.399 30.933 8.957 160 HH21 ARG 18 HH21 ARG 18 -10.227 31.617 10.250 161 HH22 ARG 18 HH22 ARG 18 -11.912 32.007 10.313 162 H PHE 19 H PHE 19 -11.023 23.731 5.881 163 HA PHE 19 HA PHE 19 -10.551 23.711 3.078 164 HB2 PHE 19 HB2 PHE 19 -10.980 21.348 4.955 165 HB3 PHE 19 HB3 PHE 19 -10.238 21.277 3.359 166 HD1 PHE 19 HD1 PHE 19 -8.029 22.513 2.986 167 HD2 PHE 19 HD2 PHE 19 -9.649 21.838 6.887 168 HE1 PHE 19 HE1 PHE 19 -5.818 22.913 3.980 169 HE2 PHE 19 HE2 PHE 19 -7.436 22.253 7.876 170 HZ PHE 19 HZ PHE 19 -5.518 22.795 6.423 171 H PHE 20 H PHE 20 -13.373 23.142 5.042 172 HA PHE 20 HA PHE 20 -14.935 22.120 2.750 173 HB2 PHE 20 HB2 PHE 20 -15.720 22.203 5.699 174 HB3 PHE 20 HB3 PHE 20 -16.545 21.331 4.408 175 HD1 PHE 20 HD1 PHE 20 -15.112 19.547 3.114 176 HD2 PHE 20 HD2 PHE 20 -14.068 21.053 6.976 177 HE1 PHE 20 HE1 PHE 20 -13.644 17.614 3.475 178 HE2 PHE 20 HE2 PHE 20 -12.590 19.119 7.315 179 HZ PHE 20 HZ PHE 20 -12.379 17.400 5.567 180 H LYS 21 H LYS 21 -14.101 25.026 3.894 181 HA LYS 21 HA LYS 21 -16.690 26.382 3.604 182 HB2 LYS 21 HB2 LYS 21 -15.163 27.068 5.426 183 HB3 LYS 21 HB3 LYS 21 -13.900 27.445 4.272 184 HG2 LYS 21 HG2 LYS 21 -16.528 28.929 4.099 185 HG3 LYS 21 HG3 LYS 21 -15.386 29.351 5.375 186 HD2 LYS 21 HD2 LYS 21 -13.638 29.728 3.602 187 HD3 LYS 21 HD3 LYS 21 -14.871 29.447 2.374 188 HE2 LYS 21 HE2 LYS 21 -14.923 31.679 4.441 189 HE3 LYS 21 HE3 LYS 21 -14.457 31.857 2.751 190 HZ1 LYS 21 HZ1 LYS 21 -16.684 31.191 2.103 191 HZ2 LYS 21 HZ2 LYS 21 -16.734 32.545 3.116 192 HZ3 LYS 21 HZ3 LYS 21 -17.134 31.019 3.725 193 H LYS 22 H LYS 22 -13.396 26.529 2.090 194 HA LYS 22 HA LYS 22 -14.648 27.777 -0.306 195 HB2 LYS 22 HB2 LYS 22 -12.475 28.851 -0.715 196 HB3 LYS 22 HB3 LYS 22 -13.075 29.234 0.896 197 HG2 LYS 22 HG2 LYS 22 -11.584 27.233 1.670 198 HG3 LYS 22 HG3 LYS 22 -10.792 27.426 0.109 199 HD2 LYS 22 HD2 LYS 22 -9.573 28.569 1.884 200 HD3 LYS 22 HD3 LYS 22 -10.176 29.750 0.707 201 HE2 LYS 22 HE2 LYS 22 -12.022 30.306 2.261 202 HE3 LYS 22 HE3 LYS 22 -11.429 29.104 3.410 203 HZ1 LYS 22 HZ1 LYS 22 -10.005 31.556 2.544 204 HZ2 LYS 22 HZ2 LYS 22 -9.375 30.385 3.587 205 HZ3 LYS 22 HZ3 LYS 22 -10.731 31.288 4.046 206 H GLY 23 H GLY 23 -12.810 25.030 0.786 207 HA2 GLY 23 HA2 GLY 23 -12.185 23.093 -0.241 208 HA3 GLY 23 HA3 GLY 23 -13.334 23.492 -1.503 209 H LYS 24 H LYS 24 -10.451 25.354 -0.654 210 HA LYS 24 HA LYS 24 -8.782 24.466 -2.827 211 HB2 LYS 24 HB2 LYS 24 -8.827 26.631 -4.105 212 HB3 LYS 24 HB3 LYS 24 -10.338 25.734 -4.192 213 HG2 LYS 24 HG2 LYS 24 -11.233 27.257 -2.366 214 HG3 LYS 24 HG3 LYS 24 -9.772 28.232 -2.565 215 HD2 LYS 24 HD2 LYS 24 -10.356 28.736 -4.870 216 HD3 LYS 24 HD3 LYS 24 -11.714 27.608 -4.822 217 HE2 LYS 24 HE2 LYS 24 -12.823 29.041 -3.128 218 HE3 LYS 24 HE3 LYS 24 -11.473 30.177 -3.219 219 HZ1 LYS 24 HZ1 LYS 24 -13.272 30.931 -4.590 220 HZ2 LYS 24 HZ2 LYS 24 -13.328 29.459 -5.420 221 HZ3 LYS 24 HZ3 LYS 24 -11.983 30.472 -5.585 222 H ASP 25 H ASP 25 -8.379 24.550 -0.186 223 HA ASP 25 HA ASP 25 -7.231 27.026 0.770 224 HB2 ASP 25 HB2 ASP 25 -7.512 24.265 2.015 225 HB3 ASP 25 HB3 ASP 25 -6.882 25.676 2.870 226 H VAL 26 H VAL 26 -5.212 26.425 2.298 227 HA VAL 26 HA VAL 26 -3.179 24.826 0.928 228 HB VAL 26 HB VAL 26 -2.791 27.759 1.714 229 HG11 VAL 26 HG11 VAL 26 -0.431 27.477 0.994 230 HG12 VAL 26 HG12 VAL 26 -0.707 25.746 0.792 231 HG13 VAL 26 HG13 VAL 26 -0.820 26.477 2.395 232 HG21 VAL 26 HG21 VAL 26 -2.568 26.404 -1.005 233 HG22 VAL 26 HG22 VAL 26 -2.178 28.093 -0.675 234 HG23 VAL 26 HG23 VAL 26 -3.838 27.521 -0.496 235 H PHE 27 H PHE 27 -2.745 23.392 2.467 236 HA PHE 27 HA PHE 27 -2.825 24.041 5.314 237 HB2 PHE 27 HB2 PHE 27 -3.780 21.882 4.599 238 HB3 PHE 27 HB3 PHE 27 -2.254 21.416 3.859 239 HD1 PHE 27 HD1 PHE 27 -3.896 22.150 7.125 240 HD2 PHE 27 HD2 PHE 27 -0.541 20.368 5.163 241 HE1 PHE 27 HE1 PHE 27 -3.196 21.121 9.242 242 HE2 PHE 27 HE2 PHE 27 0.136 19.337 7.275 243 HZ PHE 27 HZ PHE 27 -1.179 19.708 9.323 244 H VAL 28 H VAL 28 -1.070 25.047 6.122 245 HA VAL 28 HA VAL 28 1.581 24.646 4.984 246 HB VAL 28 HB VAL 28 2.335 26.310 6.752 247 HG11 VAL 28 HG11 VAL 28 1.302 28.254 5.586 248 HG12 VAL 28 HG12 VAL 28 0.130 27.170 4.831 249 HG13 VAL 28 HG13 VAL 28 1.855 27.008 4.459 250 HG21 VAL 28 HG21 VAL 28 0.584 27.634 7.924 251 HG22 VAL 28 HG22 VAL 28 0.567 25.944 8.429 252 HG23 VAL 28 HG23 VAL 28 -0.662 26.538 7.304 253 H LYS 29 H LYS 29 3.291 23.746 5.977 254 HA LYS 29 HA LYS 29 2.873 21.963 8.270 255 HB2 LYS 29 HB2 LYS 29 2.330 20.604 6.338 256 HB3 LYS 29 HB3 LYS 29 3.722 21.189 5.440 257 HG2 LYS 29 HG2 LYS 29 3.971 18.867 6.211 258 HG3 LYS 29 HG3 LYS 29 5.225 19.934 6.848 259 HD2 LYS 29 HD2 LYS 29 4.357 18.316 8.523 260 HD3 LYS 29 HD3 LYS 29 4.171 19.990 9.022 261 HE2 LYS 29 HE2 LYS 29 1.776 19.884 8.396 262 HE3 LYS 29 HE3 LYS 29 1.982 18.196 7.919 263 HZ1 LYS 29 HZ1 LYS 29 1.058 18.516 10.178 264 HZ2 LYS 29 HZ2 LYS 29 2.521 19.220 10.656 265 HZ3 LYS 29 HZ3 LYS 29 2.481 17.604 10.156 266 HA PRO 30 HA PRO 30 7.136 23.591 8.971 267 HB2 PRO 30 HB2 PRO 30 7.389 22.822 11.569 268 HB3 PRO 30 HB3 PRO 30 6.385 24.205 11.106 269 HG2 PRO 30 HG2 PRO 30 5.545 21.367 11.713 270 HG3 PRO 30 HG3 PRO 30 4.822 22.890 12.279 271 HD2 PRO 30 HD2 PRO 30 3.803 21.468 10.173 272 HD3 PRO 30 HD3 PRO 30 3.671 23.236 10.288 273 H ALA 31 H ALA 31 7.021 21.404 7.371 274 HA ALA 31 HA ALA 31 8.136 19.617 6.577 275 HB1 ALA 31 HB1 ALA 31 10.504 19.416 7.174 276 HB2 ALA 31 HB2 ALA 31 10.242 20.423 8.602 277 HB3 ALA 31 HB3 ALA 31 10.040 21.110 6.991 278 H THR 32 H THR 32 6.415 19.088 9.113 279 HA THR 32 HA THR 32 7.512 16.882 10.511 280 HB THR 32 HB THR 32 4.535 17.207 9.952 281 HG1 THR 32 HG1 THR 32 6.097 18.578 11.912 282 HG21 THR 32 HG21 THR 32 4.248 16.259 12.212 283 HG22 THR 32 HG22 THR 32 5.997 16.138 12.406 284 HG23 THR 32 HG23 THR 32 5.173 15.152 11.195 285 H VAL 33 H VAL 33 5.701 17.106 7.480 286 HA VAL 33 HA VAL 33 6.417 14.304 6.798 287 HB VAL 33 HB VAL 33 4.473 14.298 5.196 288 HG11 VAL 33 HG11 VAL 33 2.713 13.927 6.887 289 HG12 VAL 33 HG12 VAL 33 3.701 14.744 8.099 290 HG13 VAL 33 HG13 VAL 33 4.252 13.222 7.392 291 HG21 VAL 33 HG21 VAL 33 3.655 16.886 6.582 292 HG22 VAL 33 HG22 VAL 33 2.661 15.983 5.432 293 HG23 VAL 33 HG23 VAL 33 4.169 16.730 4.900 294 H TRP 34 H TRP 34 7.127 13.965 4.624 295 HA TRP 34 HA TRP 34 7.608 16.075 2.744 296 HB2 TRP 34 HB2 TRP 34 9.316 16.707 4.436 297 HB3 TRP 34 HB3 TRP 34 9.989 15.081 4.391 298 HD1 TRP 34 HD1 TRP 34 11.597 14.478 2.289 299 HE1 TRP 34 HE1 TRP 34 12.724 15.929 0.495 300 HE3 TRP 34 HE3 TRP 34 9.042 18.848 3.048 301 HZ2 TRP 34 HZ2 TRP 34 12.579 18.574 -0.462 302 HZ3 TRP 34 HZ3 TRP 34 9.605 20.800 1.655 303 HH2 TRP 34 HH2 TRP 34 11.340 20.662 -0.064 304 H LYS 35 H LYS 35 8.715 12.956 3.995 305 HA LYS 35 HA LYS 35 10.272 11.877 2.068 306 HB2 LYS 35 HB2 LYS 35 9.861 10.780 4.207 307 HB3 LYS 35 HB3 LYS 35 8.190 10.453 3.768 308 HG2 LYS 35 HG2 LYS 35 8.991 8.905 1.977 309 HG3 LYS 35 HG3 LYS 35 10.652 9.191 2.495 310 HD2 LYS 35 HD2 LYS 35 8.444 7.941 4.182 311 HD3 LYS 35 HD3 LYS 35 9.757 7.064 3.394 312 HE2 LYS 35 HE2 LYS 35 11.401 8.182 4.811 313 HE3 LYS 35 HE3 LYS 35 10.136 9.181 5.533 314 HZ1 LYS 35 HZ1 LYS 35 10.285 6.226 5.722 315 HZ2 LYS 35 HZ2 LYS 35 9.139 7.221 6.473 316 HZ3 LYS 35 HZ3 LYS 35 10.768 7.308 6.931 317 H GLU 36 H GLU 36 6.729 11.491 2.121 318 HA GLU 36 HA GLU 36 6.769 10.398 -0.638 319 HB2 GLU 36 HB2 GLU 36 4.721 10.052 1.597 320 HB3 GLU 36 HB3 GLU 36 4.604 9.315 0.004 321 HG2 GLU 36 HG2 GLU 36 6.347 7.815 0.442 322 HG3 GLU 36 HG3 GLU 36 7.025 8.797 1.726 323 H LEU 37 H LEU 37 5.981 13.161 1.197 324 HA LEU 37 HA LEU 37 3.576 14.000 -0.083 325 HB2 LEU 37 HB2 LEU 37 4.979 14.879 2.166 326 HB3 LEU 37 HB3 LEU 37 5.260 16.190 1.042 327 HG LEU 37 HG LEU 37 3.372 16.826 2.329 328 HD11 LEU 37 HD11 LEU 37 3.125 17.280 -0.087 329 HD12 LEU 37 HD12 LEU 37 1.581 17.096 0.740 330 HD13 LEU 37 HD13 LEU 37 2.200 15.780 -0.266 331 HD21 LEU 37 HD21 LEU 37 2.840 14.640 3.274 332 HD22 LEU 37 HD22 LEU 37 2.106 14.137 1.749 333 HD23 LEU 37 HD23 LEU 37 1.391 15.454 2.687 334 H LYS 38 H LYS 38 3.425 14.579 -2.143 335 HA LYS 38 HA LYS 38 5.334 16.399 -3.388 336 HB2 LYS 38 HB2 LYS 38 5.675 15.040 -5.360 337 HB3 LYS 38 HB3 LYS 38 6.083 14.069 -3.965 338 HG2 LYS 38 HG2 LYS 38 4.910 12.497 -5.185 339 HG3 LYS 38 HG3 LYS 38 3.585 13.176 -4.240 340 HD2 LYS 38 HD2 LYS 38 2.932 12.918 -6.599 341 HD3 LYS 38 HD3 LYS 38 2.949 14.619 -6.144 342 HE2 LYS 38 HE2 LYS 38 5.215 14.822 -7.204 343 HE3 LYS 38 HE3 LYS 38 5.070 13.150 -7.747 344 HZ1 LYS 38 HZ1 LYS 38 3.271 15.384 -8.488 345 HZ2 LYS 38 HZ2 LYS 38 3.107 13.784 -9.005 346 HZ3 LYS 38 HZ3 LYS 38 4.452 14.690 -9.474 347 HA PRO 39 HA PRO 39 1.493 18.182 -4.879 348 HB2 PRO 39 HB2 PRO 39 2.310 19.524 -7.124 349 HB3 PRO 39 HB3 PRO 39 2.720 20.068 -5.489 350 HG2 PRO 39 HG2 PRO 39 4.389 18.498 -7.442 351 HG3 PRO 39 HG3 PRO 39 4.867 19.867 -6.419 352 HD2 PRO 39 HD2 PRO 39 5.421 17.272 -5.761 353 HD3 PRO 39 HD3 PRO 39 5.124 18.526 -4.527 354 H GLY 40 H GLY 40 0.123 16.568 -5.496 355 HA2 GLY 40 HA2 GLY 40 -0.873 15.956 -7.866 356 HA3 GLY 40 HA3 GLY 40 0.576 14.956 -7.926 357 H MET 41 H MET 41 -0.096 14.965 -4.782 358 HA MET 41 HA MET 41 -1.348 12.344 -4.740 359 HB2 MET 41 HB2 MET 41 -0.283 14.167 -2.529 360 HB3 MET 41 HB3 MET 41 -0.876 12.534 -2.261 361 HG2 MET 41 HG2 MET 41 0.965 11.567 -3.415 362 HG3 MET 41 HG3 MET 41 1.425 13.115 -4.125 363 HE1 MET 41 HE1 MET 41 0.437 12.453 -0.300 364 HE2 MET 41 HE2 MET 41 2.042 12.163 0.377 365 HE3 MET 41 HE3 MET 41 1.336 11.006 -0.750 366 H LYS 42 H LYS 42 -2.862 12.222 -2.560 367 HA LYS 42 HA LYS 42 -4.885 14.381 -2.640 368 HB2 LYS 42 HB2 LYS 42 -6.446 12.685 -1.604 369 HB3 LYS 42 HB3 LYS 42 -6.053 12.429 -3.294 370 HG2 LYS 42 HG2 LYS 42 -4.763 10.519 -2.820 371 HG3 LYS 42 HG3 LYS 42 -4.593 10.938 -1.115 372 HD2 LYS 42 HD2 LYS 42 -6.207 9.019 -1.636 373 HD3 LYS 42 HD3 LYS 42 -6.854 10.313 -0.626 374 HE2 LYS 42 HE2 LYS 42 -8.000 11.278 -2.577 375 HE3 LYS 42 HE3 LYS 42 -7.332 10.021 -3.617 376 HZ1 LYS 42 HZ1 LYS 42 -9.122 9.525 -1.301 377 HZ2 LYS 42 HZ2 LYS 42 -8.603 8.390 -2.440 378 HZ3 LYS 42 HZ3 LYS 42 -9.644 9.638 -2.904 379 H PHE 43 H PHE 43 -6.004 14.738 -0.545 380 HA PHE 43 HA PHE 43 -4.377 14.129 1.855 381 HB2 PHE 43 HB2 PHE 43 -3.984 16.490 0.848 382 HB3 PHE 43 HB3 PHE 43 -5.614 16.868 1.358 383 HD1 PHE 43 HD1 PHE 43 -5.882 15.919 4.062 384 HD2 PHE 43 HD2 PHE 43 -2.409 17.555 2.176 385 HE1 PHE 43 HE1 PHE 43 -5.021 16.632 6.247 386 HE2 PHE 43 HE2 PHE 43 -1.565 18.270 4.367 387 HZ PHE 43 HZ PHE 43 -2.865 17.809 6.403 388 H VAL 44 H VAL 44 -5.850 12.681 2.684 389 HA VAL 44 HA VAL 44 -8.683 13.310 2.813 390 HB VAL 44 HB VAL 44 -7.152 10.905 3.882 391 HG11 VAL 44 HG11 VAL 44 -9.379 9.834 4.152 392 HG12 VAL 44 HG12 VAL 44 -10.162 11.353 3.708 393 HG13 VAL 44 HG13 VAL 44 -9.210 11.253 5.191 394 HG21 VAL 44 HG21 VAL 44 -8.148 9.708 1.943 395 HG22 VAL 44 HG22 VAL 44 -7.119 11.042 1.418 396 HG23 VAL 44 HG23 VAL 44 -8.876 11.216 1.385 397 H PHE 45 H PHE 45 -9.511 14.491 4.366 398 HA PHE 45 HA PHE 45 -8.055 15.099 6.807 399 HB2 PHE 45 HB2 PHE 45 -10.829 16.034 5.925 400 HB3 PHE 45 HB3 PHE 45 -9.874 16.696 7.252 401 HD1 PHE 45 HD1 PHE 45 -7.686 17.862 6.735 402 HD2 PHE 45 HD2 PHE 45 -10.485 16.796 3.685 403 HE1 PHE 45 HE1 PHE 45 -6.589 19.412 5.183 404 HE2 PHE 45 HE2 PHE 45 -9.383 18.356 2.146 405 HZ PHE 45 HZ PHE 45 -7.439 19.660 2.890 406 H TYR 46 H TYR 46 -8.029 13.229 8.015 407 HA TYR 46 HA TYR 46 -10.301 11.767 8.890 408 HB2 TYR 46 HB2 TYR 46 -8.084 10.855 9.328 409 HB3 TYR 46 HB3 TYR 46 -7.577 12.316 10.174 410 HD1 TYR 46 HD1 TYR 46 -10.061 9.511 10.421 411 HD2 TYR 46 HD2 TYR 46 -7.725 12.370 12.546 412 HE1 TYR 46 HE1 TYR 46 -10.798 8.546 12.548 413 HE2 TYR 46 HE2 TYR 46 -8.457 11.402 14.679 414 HH TYR 46 HH TYR 46 -10.513 10.064 15.478 415 H GLN 47 H GLN 47 -11.909 12.419 10.307 416 HA GLN 47 HA GLN 47 -11.976 15.132 11.251 417 HB2 GLN 47 HB2 GLN 47 -14.020 13.849 10.526 418 HB3 GLN 47 HB3 GLN 47 -13.854 12.836 11.954 419 HG2 GLN 47 HG2 GLN 47 -14.152 14.855 13.381 420 HG3 GLN 47 HG3 GLN 47 -14.395 15.822 11.924 421 HE21 GLN 47 HE21 GLN 47 -16.202 15.402 14.139 422 HE22 GLN 47 HE22 GLN 47 -17.644 14.726 13.477 423 H SER 48 H SER 48 -10.570 15.636 12.863 424 HA SER 48 HA SER 48 -9.859 14.041 15.101 425 HB2 SER 48 HB2 SER 48 -8.535 16.031 14.403 426 HB3 SER 48 HB3 SER 48 -9.877 17.084 14.836 427 HG SER 48 HG SER 48 -9.352 16.920 16.877 428 H HIS 49 H HIS 49 -11.767 13.116 15.870 429 HA HIS 49 HA HIS 49 -13.494 14.884 17.485 430 HB2 HIS 49 HB2 HIS 49 -14.663 14.214 15.341 431 HB3 HIS 49 HB3 HIS 49 -14.537 12.532 15.848 432 HD1 HIS 49 HD1 HIS 49 -16.220 15.774 16.822 433 HD2 HIS 49 HD2 HIS 49 -16.512 11.705 17.621 434 HE1 HIS 49 HE1 HIS 49 -18.304 15.504 18.199 435 HE2 HIS 49 HE2 HIS 49 -18.376 13.062 18.802 436 H GLU 50 H GLU 50 -13.771 11.362 17.045 437 HA GLU 50 HA GLU 50 -12.476 10.709 19.548 438 HB2 GLU 50 HB2 GLU 50 -15.513 10.603 19.306 439 HB3 GLU 50 HB3 GLU 50 -14.639 9.640 20.491 440 HG2 GLU 50 HG2 GLU 50 -13.833 11.654 21.592 441 HG3 GLU 50 HG3 GLU 50 -14.565 12.666 20.350 442 H ASP 51 H ASP 51 -15.230 9.174 17.870 443 HA ASP 51 HA ASP 51 -13.589 6.773 17.327 444 HB2 ASP 51 HB2 ASP 51 -16.640 7.026 17.248 445 HB3 ASP 51 HB3 ASP 51 -15.693 5.540 17.168 446 H THR 52 H THR 52 -16.296 8.598 15.894 447 HA THR 52 HA THR 52 -15.922 7.721 13.230 448 HB THR 52 HB THR 52 -17.394 10.184 14.278 449 HG1 THR 52 HG1 THR 52 -18.162 7.472 13.910 450 HG21 THR 52 HG21 THR 52 -17.689 8.731 11.621 451 HG22 THR 52 HG22 THR 52 -17.009 10.345 11.844 452 HG23 THR 52 HG23 THR 52 -18.713 10.053 12.193 453 H GLY 53 H GLY 53 -14.697 8.496 11.639 454 HA2 GLY 53 HA2 GLY 53 -13.254 11.055 11.918 455 HA3 GLY 53 HA3 GLY 53 -12.411 9.570 11.493 456 H PHE 54 H PHE 54 -11.795 10.838 9.630 457 HA PHE 54 HA PHE 54 -11.849 11.498 7.481 458 HB2 PHE 54 HB2 PHE 54 -13.602 9.027 7.381 459 HB3 PHE 54 HB3 PHE 54 -13.069 9.862 5.931 460 HD1 PHE 54 HD1 PHE 54 -11.191 8.905 9.090 461 HD2 PHE 54 HD2 PHE 54 -11.536 8.451 4.840 462 HE1 PHE 54 HE1 PHE 54 -9.145 7.548 9.055 463 HE2 PHE 54 HE2 PHE 54 -9.492 7.084 4.831 464 HZ PHE 54 HZ PHE 54 -8.292 6.634 6.934 465 H VAL 55 H VAL 55 -13.006 13.437 8.353 466 HA VAL 55 HA VAL 55 -15.772 13.846 7.869 467 HB VAL 55 HB VAL 55 -14.722 15.330 9.396 468 HG11 VAL 55 HG11 VAL 55 -12.897 16.909 8.837 469 HG12 VAL 55 HG12 VAL 55 -12.798 16.212 7.219 470 HG13 VAL 55 HG13 VAL 55 -12.402 15.227 8.628 471 HG21 VAL 55 HG21 VAL 55 -16.521 16.387 8.102 472 HG22 VAL 55 HG22 VAL 55 -15.345 16.976 6.924 473 HG23 VAL 55 HG23 VAL 55 -15.306 17.574 8.584 474 H GLY 56 H GLY 56 -12.868 14.312 5.909 475 HA2 GLY 56 HA2 GLY 56 -14.366 14.043 3.462 476 HA3 GLY 56 HA3 GLY 56 -13.789 15.690 3.720 477 H GLU 57 H GLU 57 -12.699 15.139 1.672 478 HA GLU 57 HA GLU 57 -9.932 14.397 2.219 479 HB2 GLU 57 HB2 GLU 57 -9.735 12.924 0.261 480 HB3 GLU 57 HB3 GLU 57 -10.909 12.278 1.394 481 HG2 GLU 57 HG2 GLU 57 -12.480 12.183 -0.213 482 HG3 GLU 57 HG3 GLU 57 -12.336 13.908 -0.489 483 H ALA 58 H ALA 58 -8.697 14.814 -0.002 484 HA ALA 58 HA ALA 58 -9.725 16.899 -1.692 485 HB1 ALA 58 HB1 ALA 58 -8.120 18.646 -0.984 486 HB2 ALA 58 HB2 ALA 58 -7.601 17.616 0.356 487 HB3 ALA 58 HB3 ALA 58 -9.252 18.235 0.306 488 H ARG 59 H ARG 59 -7.445 17.962 -2.702 489 HA ARG 59 HA ARG 59 -5.701 15.712 -3.478 490 HB2 ARG 59 HB2 ARG 59 -6.820 17.821 -5.379 491 HB3 ARG 59 HB3 ARG 59 -5.748 16.489 -5.816 492 HG2 ARG 59 HG2 ARG 59 -8.568 16.195 -4.733 493 HG3 ARG 59 HG3 ARG 59 -8.121 16.067 -6.436 494 HD2 ARG 59 HD2 ARG 59 -7.018 14.005 -6.109 495 HD3 ARG 59 HD3 ARG 59 -6.864 14.250 -4.367 496 HE ARG 59 HE ARG 59 -9.481 14.112 -4.505 497 HH11 ARG 59 HH11 ARG 59 -7.201 12.098 -6.286 498 HH12 ARG 59 HH12 ARG 59 -8.259 10.726 -6.296 499 HH21 ARG 59 HH21 ARG 59 -10.823 12.295 -4.490 500 HH22 ARG 59 HH22 ARG 59 -10.315 10.839 -5.284 501 H ILE 60 H ILE 60 -3.678 16.157 -3.045 502 HA ILE 60 HA ILE 60 -2.684 18.734 -2.285 503 HB ILE 60 HB ILE 60 -1.439 15.990 -2.611 504 HG12 ILE 60 HG12 ILE 60 -1.596 17.736 -0.124 505 HG13 ILE 60 HG13 ILE 60 -2.886 16.635 -0.574 506 HG21 ILE 60 HG21 ILE 60 0.713 16.876 -1.731 507 HG22 ILE 60 HG22 ILE 60 0.096 18.517 -1.930 508 HG23 ILE 60 HG23 ILE 60 0.328 17.485 -3.343 509 HD11 ILE 60 HD11 ILE 60 -1.403 15.706 1.125 510 HD12 ILE 60 HD12 ILE 60 -0.036 15.830 0.019 511 HD13 ILE 60 HD13 ILE 60 -1.382 14.744 -0.351 512 H LYS 61 H LYS 61 -1.647 20.144 -3.435 513 HA LYS 61 HA LYS 61 -0.623 19.670 -6.140 514 HB2 LYS 61 HB2 LYS 61 -2.662 21.805 -5.336 515 HB3 LYS 61 HB3 LYS 61 -1.801 21.828 -6.863 516 HG2 LYS 61 HG2 LYS 61 -3.719 19.673 -5.947 517 HG3 LYS 61 HG3 LYS 61 -4.099 20.969 -7.077 518 HD2 LYS 61 HD2 LYS 61 -1.991 18.829 -7.554 519 HD3 LYS 61 HD3 LYS 61 -3.651 18.749 -8.147 520 HE2 LYS 61 HE2 LYS 61 -1.623 20.887 -8.869 521 HE3 LYS 61 HE3 LYS 61 -2.098 19.533 -9.895 522 HZ1 LYS 61 HZ1 LYS 61 -3.265 21.560 -10.523 523 HZ2 LYS 61 HZ2 LYS 61 -3.904 21.718 -8.964 524 HZ3 LYS 61 HZ3 LYS 61 -4.366 20.418 -9.936 525 H ARG 62 H ARG 62 -0.061 22.447 -6.595 526 HA ARG 62 HA ARG 62 2.492 22.755 -6.225 527 HB2 ARG 62 HB2 ARG 62 1.232 24.430 -7.366 528 HB3 ARG 62 HB3 ARG 62 0.338 24.871 -5.919 529 HG2 ARG 62 HG2 ARG 62 2.294 25.964 -4.981 530 HG3 ARG 62 HG3 ARG 62 3.281 25.398 -6.323 531 HD2 ARG 62 HD2 ARG 62 2.661 27.776 -6.591 532 HD3 ARG 62 HD3 ARG 62 2.011 26.786 -7.898 533 HE ARG 62 HE ARG 62 0.085 27.078 -5.823 534 HH11 ARG 62 HH11 ARG 62 1.498 28.881 -8.502 535 HH12 ARG 62 HH12 ARG 62 0.130 29.930 -8.663 536 HH21 ARG 62 HH21 ARG 62 -1.687 28.469 -6.066 537 HH22 ARG 62 HH22 ARG 62 -1.665 29.703 -7.285 538 H VAL 63 H VAL 63 3.830 22.318 -4.569 539 HA VAL 63 HA VAL 63 3.152 23.225 -1.847 540 HB VAL 63 HB VAL 63 4.878 21.667 -1.005 541 HG11 VAL 63 HG11 VAL 63 2.879 20.312 -2.865 542 HG12 VAL 63 HG12 VAL 63 2.571 20.857 -1.214 543 HG13 VAL 63 HG13 VAL 63 3.707 19.543 -1.506 544 HG21 VAL 63 HG21 VAL 63 5.973 19.998 -2.493 545 HG22 VAL 63 HG22 VAL 63 6.465 21.641 -2.899 546 HG23 VAL 63 HG23 VAL 63 5.285 20.805 -3.908 547 H VAL 64 H VAL 64 3.844 25.180 -1.397 548 HA VAL 64 HA VAL 64 6.148 26.392 -2.735 549 HB VAL 64 HB VAL 64 4.093 27.581 -0.816 550 HG11 VAL 64 HG11 VAL 64 4.971 29.809 -1.478 551 HG12 VAL 64 HG12 VAL 64 6.259 29.024 -2.394 552 HG13 VAL 64 HG13 VAL 64 6.191 28.845 -0.638 553 HG21 VAL 64 HG21 VAL 64 4.332 27.860 -3.837 554 HG22 VAL 64 HG22 VAL 64 3.153 28.690 -2.819 555 HG23 VAL 64 HG23 VAL 64 3.099 26.933 -2.973 556 H LEU 65 H LEU 65 8.055 25.992 -1.860 557 HA LEU 65 HA LEU 65 8.389 25.313 0.956 558 HB2 LEU 65 HB2 LEU 65 10.528 25.491 -1.205 559 HB3 LEU 65 HB3 LEU 65 10.642 24.666 0.345 560 HG LEU 65 HG LEU 65 8.945 23.824 -2.043 561 HD11 LEU 65 HD11 LEU 65 11.325 23.381 -2.354 562 HD12 LEU 65 HD12 LEU 65 10.423 21.881 -2.176 563 HD13 LEU 65 HD13 LEU 65 11.388 22.491 -0.828 564 HD21 LEU 65 HD21 LEU 65 9.146 22.476 0.674 565 HD22 LEU 65 HD22 LEU 65 8.329 21.822 -0.750 566 HD23 LEU 65 HD23 LEU 65 7.733 23.295 0.004 567 H SER 66 H SER 66 8.712 26.898 2.376 568 HA SER 66 HA SER 66 10.830 28.839 1.969 569 HB2 SER 66 HB2 SER 66 8.875 30.123 1.161 570 HB3 SER 66 HB3 SER 66 8.015 29.807 2.673 571 HG SER 66 HG SER 66 10.045 31.593 2.118 572 H GLU 67 H GLU 67 11.917 29.133 3.826 573 HA GLU 67 HA GLU 67 11.231 27.736 6.214 574 HB2 GLU 67 HB2 GLU 67 13.331 29.860 5.709 575 HB3 GLU 67 HB3 GLU 67 13.246 28.849 7.148 576 HG2 GLU 67 HG2 GLU 67 13.524 26.856 5.641 577 HG3 GLU 67 HG3 GLU 67 13.814 27.967 4.315 578 H ASN 68 H ASN 68 10.425 30.879 4.982 579 HA ASN 68 HA ASN 68 9.515 31.908 7.573 580 HB2 ASN 68 HB2 ASN 68 9.202 33.148 4.801 581 HB3 ASN 68 HB3 ASN 68 8.829 33.928 6.335 582 HD21 ASN 68 HD21 ASN 68 11.318 32.994 4.128 583 HD22 ASN 68 HD22 ASN 68 12.626 33.807 4.916 584 HA PRO 69 HA PRO 69 5.445 30.006 6.665 585 HB2 PRO 69 HB2 PRO 69 4.287 30.716 9.062 586 HB3 PRO 69 HB3 PRO 69 5.335 29.308 8.868 587 HG2 PRO 69 HG2 PRO 69 6.019 32.045 9.914 588 HG3 PRO 69 HG3 PRO 69 6.478 30.456 10.561 589 HD2 PRO 69 HD2 PRO 69 8.180 31.940 9.066 590 HD3 PRO 69 HD3 PRO 69 8.168 30.159 8.982 591 H MET 70 H MET 70 6.444 33.236 7.061 592 HA MET 70 HA MET 70 3.871 34.560 6.953 593 HB2 MET 70 HB2 MET 70 6.704 35.635 6.734 594 HB3 MET 70 HB3 MET 70 5.261 36.638 6.838 595 HG2 MET 70 HG2 MET 70 4.832 35.933 9.079 596 HG3 MET 70 HG3 MET 70 6.047 34.656 8.981 597 HE1 MET 70 HE1 MET 70 8.490 36.175 7.500 598 HE2 MET 70 HE2 MET 70 8.663 35.091 8.885 599 HE3 MET 70 HE3 MET 70 9.397 36.697 8.921 600 H GLN 71 H GLN 71 6.355 33.549 4.674 601 HA GLN 71 HA GLN 71 5.547 35.164 2.482 602 HB2 GLN 71 HB2 GLN 71 7.052 32.520 2.464 603 HB3 GLN 71 HB3 GLN 71 6.744 33.483 1.022 604 HG2 GLN 71 HG2 GLN 71 7.942 35.396 2.340 605 HG3 GLN 71 HG3 GLN 71 8.563 34.090 3.344 606 HE21 GLN 71 HE21 GLN 71 10.019 35.926 1.643 607 HE22 GLN 71 HE22 GLN 71 10.866 34.975 0.480 608 H PHE 72 H PHE 72 4.231 32.287 3.850 609 HA PHE 72 HA PHE 72 2.696 31.441 1.573 610 HB2 PHE 72 HB2 PHE 72 2.234 30.812 4.520 611 HB3 PHE 72 HB3 PHE 72 1.636 29.888 3.142 612 HD1 PHE 72 HD1 PHE 72 4.243 29.950 1.486 613 HD2 PHE 72 HD2 PHE 72 3.476 29.071 5.602 614 HE1 PHE 72 HE1 PHE 72 6.224 28.509 1.557 615 HE2 PHE 72 HE2 PHE 72 5.459 27.630 5.650 616 HZ PHE 72 HZ PHE 72 6.838 27.348 3.633 617 H PHE 73 H PHE 73 2.258 33.792 4.118 618 HA PHE 73 HA PHE 73 -0.595 34.120 3.741 619 HB2 PHE 73 HB2 PHE 73 1.418 35.806 5.292 620 HB3 PHE 73 HB3 PHE 73 -0.328 36.045 5.325 621 HD1 PHE 73 HD1 PHE 73 -1.535 33.492 5.657 622 HD2 PHE 73 HD2 PHE 73 2.151 34.873 7.311 623 HE1 PHE 73 HE1 PHE 73 -1.722 31.848 7.469 624 HE2 PHE 73 HE2 PHE 73 1.944 33.227 9.110 625 HZ PHE 73 HZ PHE 73 0.017 31.708 9.201 626 H GLU 74 H GLU 74 2.374 35.818 2.685 627 HA GLU 74 HA GLU 74 0.916 37.896 1.309 628 HB2 GLU 74 HB2 GLU 74 3.040 38.608 0.386 629 HB3 GLU 74 HB3 GLU 74 3.241 38.229 2.092 630 HG2 GLU 74 HG2 GLU 74 4.162 35.988 1.394 631 HG3 GLU 74 HG3 GLU 74 4.124 36.558 -0.277 632 H THR 75 H THR 75 2.032 34.683 0.433 633 HA THR 75 HA THR 75 1.617 35.007 -2.409 634 HB THR 75 HB THR 75 2.104 32.482 -0.766 635 HG1 THR 75 HG1 THR 75 3.780 34.207 -0.957 636 HG21 THR 75 HG21 THR 75 2.230 32.840 -3.790 637 HG22 THR 75 HG22 THR 75 1.024 31.892 -2.917 638 HG23 THR 75 HG23 THR 75 2.716 31.390 -2.908 639 H PHE 76 H PHE 76 -0.104 33.380 0.278 640 HA PHE 76 HA PHE 76 -2.496 33.016 -1.455 641 HB2 PHE 76 HB2 PHE 76 -1.681 31.329 0.958 642 HB3 PHE 76 HB3 PHE 76 -3.076 31.051 -0.077 643 HD1 PHE 76 HD1 PHE 76 -2.519 30.709 -2.649 644 HD2 PHE 76 HD2 PHE 76 0.267 30.106 0.539 645 HE1 PHE 76 HE1 PHE 76 -1.196 29.212 -4.082 646 HE2 PHE 76 HE2 PHE 76 1.582 28.609 -0.898 647 HZ PHE 76 HZ PHE 76 0.851 28.157 -3.209 648 H GLY 77 H GLY 77 -1.767 33.044 2.067 649 HA2 GLY 77 HA2 GLY 77 -2.539 34.375 3.782 650 HA3 GLY 77 HA3 GLY 77 -3.325 35.412 2.605 651 H ASP 78 H ASP 78 -5.350 34.706 1.710 652 HA ASP 78 HA ASP 78 -7.269 34.002 3.638 653 HB2 ASP 78 HB2 ASP 78 -7.787 35.354 1.627 654 HB3 ASP 78 HB3 ASP 78 -7.483 33.964 0.596 655 H ARG 79 H ARG 79 -5.747 32.100 1.057 656 HA ARG 79 HA ARG 79 -7.357 29.776 1.315 657 HB2 ARG 79 HB2 ARG 79 -4.568 30.029 0.106 658 HB3 ARG 79 HB3 ARG 79 -5.663 28.668 -0.125 659 HG2 ARG 79 HG2 ARG 79 -6.038 31.513 -1.118 660 HG3 ARG 79 HG3 ARG 79 -5.723 30.072 -2.093 661 HD2 ARG 79 HD2 ARG 79 -7.923 29.144 -1.323 662 HD3 ARG 79 HD3 ARG 79 -8.232 30.667 -0.485 663 HE ARG 79 HE ARG 79 -7.844 30.481 -3.421 664 HH11 ARG 79 HH11 ARG 79 -9.624 31.799 -0.679 665 HH12 ARG 79 HH12 ARG 79 -10.703 32.709 -1.678 666 HH21 ARG 79 HH21 ARG 79 -9.284 31.688 -4.698 667 HH22 ARG 79 HH22 ARG 79 -10.527 32.631 -3.943 668 H VAL 80 H VAL 80 -4.429 30.833 2.972 669 HA VAL 80 HA VAL 80 -3.690 28.308 4.084 670 HB VAL 80 HB VAL 80 -3.122 31.061 5.269 671 HG11 VAL 80 HG11 VAL 80 -1.161 29.970 6.326 672 HG12 VAL 80 HG12 VAL 80 -1.668 28.414 5.666 673 HG13 VAL 80 HG13 VAL 80 -2.678 29.239 6.856 674 HG21 VAL 80 HG21 VAL 80 -0.974 31.013 4.028 675 HG22 VAL 80 HG22 VAL 80 -2.359 31.013 2.933 676 HG23 VAL 80 HG23 VAL 80 -1.470 29.515 3.229 677 H PHE 81 H PHE 81 -4.431 27.283 5.907 678 HA PHE 81 HA PHE 81 -7.128 27.716 6.554 679 HB2 PHE 81 HB2 PHE 81 -7.008 25.736 7.925 680 HB3 PHE 81 HB3 PHE 81 -6.040 25.485 6.483 681 HD1 PHE 81 HD1 PHE 81 -3.543 25.408 6.634 682 HD2 PHE 81 HD2 PHE 81 -5.992 25.653 10.134 683 HE1 PHE 81 HE1 PHE 81 -1.651 24.672 8.025 684 HE2 PHE 81 HE2 PHE 81 -4.094 24.917 11.515 685 HZ PHE 81 HZ PHE 81 -1.920 24.431 10.461 686 H LEU 82 H LEU 82 -4.305 28.879 8.131 687 HA LEU 82 HA LEU 82 -5.976 30.197 10.182 688 HB2 LEU 82 HB2 LEU 82 -4.379 29.901 11.884 689 HB3 LEU 82 HB3 LEU 82 -4.482 28.330 11.128 690 HG LEU 82 HG LEU 82 -2.224 30.335 10.684 691 HD11 LEU 82 HD11 LEU 82 -2.227 27.825 12.390 692 HD12 LEU 82 HD12 LEU 82 -2.181 29.493 12.972 693 HD13 LEU 82 HD13 LEU 82 -0.826 28.849 12.050 694 HD21 LEU 82 HD21 LEU 82 -2.437 27.453 9.759 695 HD22 LEU 82 HD22 LEU 82 -1.022 28.498 9.589 696 HD23 LEU 82 HD23 LEU 82 -2.512 28.892 8.738 697 H THR 83 H THR 83 -5.024 32.333 10.900 698 HA THR 83 HA THR 83 -3.713 33.662 8.614 699 HB THR 83 HB THR 83 -5.880 34.626 9.502 700 HG1 THR 83 HG1 THR 83 -4.896 36.843 9.612 701 HG21 THR 83 HG21 THR 83 -5.835 35.982 11.540 702 HG22 THR 83 HG22 THR 83 -4.170 35.493 11.855 703 HG23 THR 83 HG23 THR 83 -5.468 34.300 11.930 704 H LYS 84 H LYS 84 -2.336 35.701 9.518 705 HA LYS 84 HA LYS 84 0.057 34.591 10.509 706 HB2 LYS 84 HB2 LYS 84 -0.108 36.611 9.033 707 HB3 LYS 84 HB3 LYS 84 -0.741 37.523 10.399 708 HG2 LYS 84 HG2 LYS 84 1.376 37.222 11.610 709 HG3 LYS 84 HG3 LYS 84 2.024 36.262 10.277 710 HD2 LYS 84 HD2 LYS 84 1.224 39.201 10.154 711 HD3 LYS 84 HD3 LYS 84 2.877 38.583 10.224 712 HE2 LYS 84 HE2 LYS 84 2.576 37.505 8.024 713 HE3 LYS 84 HE3 LYS 84 0.903 38.072 7.966 714 HZ1 LYS 84 HZ1 LYS 84 3.332 39.776 7.989 715 HZ2 LYS 84 HZ2 LYS 84 1.744 40.355 8.011 716 HZ3 LYS 84 HZ3 LYS 84 2.312 39.496 6.669 717 H ASP 85 H ASP 85 -2.587 36.288 12.117 718 HA ASP 85 HA ASP 85 -1.381 36.711 14.654 719 HB2 ASP 85 HB2 ASP 85 -4.336 36.311 14.053 720 HB3 ASP 85 HB3 ASP 85 -3.661 37.014 15.515 721 H GLU 86 H GLU 86 -3.497 34.111 13.422 722 HA GLU 86 HA GLU 86 -3.389 32.433 15.665 723 HB2 GLU 86 HB2 GLU 86 -4.012 31.933 12.763 724 HB3 GLU 86 HB3 GLU 86 -3.698 30.539 13.780 725 HG2 GLU 86 HG2 GLU 86 -6.018 30.759 13.812 726 HG3 GLU 86 HG3 GLU 86 -5.493 31.419 15.353 727 H LEU 87 H LEU 87 -1.118 32.807 12.979 728 HA LEU 87 HA LEU 87 0.528 30.560 13.517 729 HB2 LEU 87 HB2 LEU 87 0.758 31.702 11.387 730 HB3 LEU 87 HB3 LEU 87 1.118 33.225 12.183 731 HG LEU 87 HG LEU 87 3.260 32.177 13.063 732 HD11 LEU 87 HD11 LEU 87 4.168 30.196 11.974 733 HD12 LEU 87 HD12 LEU 87 2.648 29.950 11.109 734 HD13 LEU 87 HD13 LEU 87 2.698 29.824 12.871 735 HD21 LEU 87 HD21 LEU 87 4.536 32.581 11.086 736 HD22 LEU 87 HD22 LEU 87 3.195 33.723 11.113 737 HD23 LEU 87 HD23 LEU 87 3.138 32.314 10.046 738 H LYS 88 H LYS 88 0.820 33.999 14.547 739 HA LYS 88 HA LYS 88 3.279 33.543 15.893 740 HB2 LYS 88 HB2 LYS 88 3.020 35.885 16.811 741 HB3 LYS 88 HB3 LYS 88 3.049 35.724 15.070 742 HG2 LYS 88 HG2 LYS 88 1.425 37.330 15.417 743 HG3 LYS 88 HG3 LYS 88 0.483 35.862 15.195 744 HD2 LYS 88 HD2 LYS 88 -0.183 35.775 17.423 745 HD3 LYS 88 HD3 LYS 88 1.205 36.713 17.996 746 HE2 LYS 88 HE2 LYS 88 0.250 38.713 16.926 747 HE3 LYS 88 HE3 LYS 88 -1.156 37.771 16.429 748 HZ1 LYS 88 HZ1 LYS 88 -1.668 38.963 18.426 749 HZ2 LYS 88 HZ2 LYS 88 -0.302 38.353 19.214 750 HZ3 LYS 88 HZ3 LYS 88 -1.569 37.316 18.801 751 H GLU 89 H GLU 89 -0.076 33.714 17.070 752 HA GLU 89 HA GLU 89 0.595 33.411 19.838 753 HB2 GLU 89 HB2 GLU 89 -1.739 32.952 20.269 754 HB3 GLU 89 HB3 GLU 89 -1.653 34.234 19.066 755 HG2 GLU 89 HG2 GLU 89 -2.186 32.621 17.291 756 HG3 GLU 89 HG3 GLU 89 -2.217 31.313 18.467 757 H TYR 90 H TYR 90 0.056 31.165 17.173 758 HA TYR 90 HA TYR 90 -0.162 28.723 18.596 759 HB2 TYR 90 HB2 TYR 90 -0.804 28.862 16.248 760 HB3 TYR 90 HB3 TYR 90 0.817 29.332 15.771 761 HD1 TYR 90 HD1 TYR 90 -1.006 26.473 17.406 762 HD2 TYR 90 HD2 TYR 90 2.229 27.679 14.887 763 HE1 TYR 90 HE1 TYR 90 -0.505 24.122 16.921 764 HE2 TYR 90 HE2 TYR 90 2.738 25.315 14.407 765 HH TYR 90 HH TYR 90 2.355 23.083 15.447 766 H MET 91 H MET 91 2.651 30.367 17.136 767 HA MET 91 HA MET 91 4.604 28.444 17.901 768 HB2 MET 91 HB2 MET 91 4.921 31.385 17.166 769 HB3 MET 91 HB3 MET 91 6.266 30.274 17.383 770 HG2 MET 91 HG2 MET 91 5.371 28.884 15.521 771 HG3 MET 91 HG3 MET 91 4.108 30.088 15.268 772 HE1 MET 91 HE1 MET 91 4.607 32.596 14.411 773 HE2 MET 91 HE2 MET 91 6.228 33.198 14.066 774 HE3 MET 91 HE3 MET 91 5.751 32.862 15.730 775 H LYS 92 H LYS 92 3.250 31.300 19.501 776 HA LYS 92 HA LYS 92 5.040 31.289 21.739 777 HB2 LYS 92 HB2 LYS 92 2.252 32.499 21.540 778 HB3 LYS 92 HB3 LYS 92 3.373 32.765 22.869 779 HG2 LYS 92 HG2 LYS 92 3.629 33.742 20.015 780 HG3 LYS 92 HG3 LYS 92 3.383 34.700 21.462 781 HD2 LYS 92 HD2 LYS 92 5.638 35.079 21.217 782 HD3 LYS 92 HD3 LYS 92 5.764 33.573 22.125 783 HE2 LYS 92 HE2 LYS 92 5.964 32.346 19.931 784 HE3 LYS 92 HE3 LYS 92 5.964 33.903 19.103 785 HZ1 LYS 92 HZ1 LYS 92 8.192 33.068 19.423 786 HZ2 LYS 92 HZ2 LYS 92 7.967 32.988 21.097 787 HZ3 LYS 92 HZ3 LYS 92 7.971 34.486 20.312 788 H SER 93 H SER 93 1.984 29.695 21.024 789 HA SER 93 HA SER 93 1.478 28.714 23.665 790 HB2 SER 93 HB2 SER 93 0.410 27.779 20.962 791 HB3 SER 93 HB3 SER 93 -0.195 27.218 22.525 792 HG SER 93 HG SER 93 -0.091 29.969 21.945 793 H GLN 94 H GLN 94 3.122 27.399 20.805 794 HA GLN 94 HA GLN 94 3.469 24.749 21.841 795 HB2 GLN 94 HB2 GLN 94 4.791 26.161 19.487 796 HB3 GLN 94 HB3 GLN 94 4.973 24.445 19.841 797 HG2 GLN 94 HG2 GLN 94 2.366 25.840 19.163 798 HG3 GLN 94 HG3 GLN 94 3.324 24.868 18.052 799 HE21 GLN 94 HE21 GLN 94 0.517 24.576 19.092 800 HE22 GLN 94 HE22 GLN 94 0.449 22.967 19.716 801 H GLU 95 H GLU 95 5.295 27.730 22.148 802 HA GLU 95 HA GLU 95 7.660 26.328 23.139 803 HB2 GLU 95 HB2 GLU 95 8.705 28.517 23.364 804 HB3 GLU 95 HB3 GLU 95 8.002 28.328 21.765 805 HG2 GLU 95 HG2 GLU 95 6.074 29.714 22.483 806 HG3 GLU 95 HG3 GLU 95 6.839 29.943 24.052 807 H ARG 96 H ARG 96 4.916 28.190 24.503 808 HA ARG 96 HA ARG 96 6.108 28.282 27.144 809 HB2 ARG 96 HB2 ARG 96 4.070 29.346 27.912 810 HB3 ARG 96 HB3 ARG 96 4.561 30.071 26.386 811 HG2 ARG 96 HG2 ARG 96 2.827 28.648 25.237 812 HG3 ARG 96 HG3 ARG 96 2.291 28.104 26.828 813 HD2 ARG 96 HD2 ARG 96 0.867 29.924 25.970 814 HD3 ARG 96 HD3 ARG 96 1.710 30.415 27.442 815 HE ARG 96 HE ARG 96 3.256 31.201 25.228 816 HH11 ARG 96 HH11 ARG 96 0.148 32.049 26.633 817 HH12 ARG 96 HH12 ARG 96 0.253 33.708 26.152 818 HH21 ARG 96 HH21 ARG 96 3.362 33.371 24.600 819 HH22 ARG 96 HH22 ARG 96 2.067 34.455 24.988 820 H TRP 97 H TRP 97 3.595 26.296 25.579 821 HA TRP 97 HA TRP 97 3.149 24.678 27.959 822 HB2 TRP 97 HB2 TRP 97 2.143 24.202 25.121 823 HB3 TRP 97 HB3 TRP 97 1.558 23.413 26.579 824 HD1 TRP 97 HD1 TRP 97 0.198 25.659 24.292 825 HE1 TRP 97 HE1 TRP 97 -1.365 27.423 25.310 826 HE3 TRP 97 HE3 TRP 97 1.603 25.289 29.223 827 HZ2 TRP 97 HZ2 TRP 97 -1.943 28.511 27.822 828 HZ3 TRP 97 HZ3 TRP 97 0.475 26.737 30.866 829 HH2 TRP 97 HH2 TRP 97 -1.263 28.314 30.175 830 H GLY 98 H GLY 98 5.154 24.615 25.110 831 HA2 GLY 98 HA2 GLY 98 5.976 21.860 25.238 832 HA3 GLY 98 HA3 GLY 98 6.770 23.156 24.352 833 H ARG 99 H ARG 99 8.120 24.640 25.565 834 HA ARG 99 HA ARG 99 8.913 24.348 28.258 835 HB2 ARG 99 HB2 ARG 99 10.033 22.266 27.389 836 HB3 ARG 99 HB3 ARG 99 10.930 23.243 26.230 837 HG2 ARG 99 HG2 ARG 99 12.099 24.392 28.066 838 HG3 ARG 99 HG3 ARG 99 11.151 23.492 29.252 839 HD2 ARG 99 HD2 ARG 99 12.145 21.371 28.354 840 HD3 ARG 99 HD3 ARG 99 13.179 22.349 27.306 841 HE ARG 99 HE ARG 99 14.013 23.380 29.471 842 HH11 ARG 99 HH11 ARG 99 12.891 20.041 29.348 843 HH12 ARG 99 HH12 ARG 99 13.876 19.546 30.686 844 HH21 ARG 99 HH21 ARG 99 15.286 22.700 31.232 845 HH22 ARG 99 HH22 ARG 99 15.225 21.045 31.746 846 H ARG 100 H ARG 100 10.424 24.979 25.140 847 HA ARG 100 HA ARG 100 9.980 27.787 25.123 848 HB2 ARG 100 HB2 ARG 100 12.026 27.616 26.689 849 HB3 ARG 100 HB3 ARG 100 12.929 26.968 25.325 850 HG2 ARG 100 HG2 ARG 100 12.482 29.087 24.076 851 HG3 ARG 100 HG3 ARG 100 11.661 29.725 25.500 852 HD2 ARG 100 HD2 ARG 100 13.785 29.550 26.779 853 HD3 ARG 100 HD3 ARG 100 14.595 28.942 25.327 854 HE ARG 100 HE ARG 100 13.248 31.513 25.076 855 HH11 ARG 100 HH11 ARG 100 16.346 29.920 25.614 856 HH12 ARG 100 HH12 ARG 100 17.263 31.318 25.159 857 HH21 ARG 100 HH21 ARG 100 14.468 33.324 24.499 858 HH22 ARG 100 HH22 ARG 100 16.201 33.241 24.537 859 H ARG 101 H ARG 101 10.860 28.666 22.934 860 HA ARG 101 HA ARG 101 10.584 26.700 20.869 861 HB2 ARG 101 HB2 ARG 101 9.949 29.112 20.551 862 HB3 ARG 101 HB3 ARG 101 11.660 29.539 20.563 863 HG2 ARG 101 HG2 ARG 101 12.034 28.184 18.544 864 HG3 ARG 101 HG3 ARG 101 10.345 27.676 18.550 865 HD2 ARG 101 HD2 ARG 101 9.639 30.002 18.154 866 HD3 ARG 101 HD3 ARG 101 11.330 30.525 18.176 867 HE ARG 101 HE ARG 101 11.082 28.497 16.258 868 HH11 ARG 101 HH11 ARG 101 9.952 31.810 16.653 869 HH12 ARG 101 HH12 ARG 101 9.873 32.097 14.948 870 HH21 ARG 101 HH21 ARG 101 10.959 28.903 14.039 871 HH22 ARG 101 HH22 ARG 101 10.430 30.455 13.469 872 H GLU 102 H GLU 102 12.070 25.142 21.293 873 HA GLU 102 HA GLU 102 14.842 25.761 21.857 874 HB2 GLU 102 HB2 GLU 102 13.270 23.893 22.921 875 HB3 GLU 102 HB3 GLU 102 13.764 22.945 21.529 876 HG2 GLU 102 HG2 GLU 102 15.575 24.109 23.668 877 HG3 GLU 102 HG3 GLU 102 15.118 22.418 23.494 878 H SER 103 H SER 103 15.770 26.496 20.079 879 HA SER 103 HA SER 103 16.480 24.823 17.882 880 HB2 SER 103 HB2 SER 103 14.106 25.494 17.228 881 HB3 SER 103 HB3 SER 103 14.623 27.178 17.247 882 HG SER 103 HG SER 103 15.788 25.172 15.598 883 H LYS 104 H LYS 104 17.417 26.624 16.109 884 HA LYS 104 HA LYS 104 18.421 29.074 17.268 885 HB2 LYS 104 HB2 LYS 104 20.058 27.138 17.952 886 HB3 LYS 104 HB3 LYS 104 20.525 27.097 16.260 887 HG2 LYS 104 HG2 LYS 104 20.768 29.543 18.052 888 HG3 LYS 104 HG3 LYS 104 22.071 28.390 17.761 889 HD2 LYS 104 HD2 LYS 104 22.037 28.967 15.349 890 HD3 LYS 104 HD3 LYS 104 20.724 30.112 15.640 891 HE2 LYS 104 HE2 LYS 104 23.508 30.306 16.841 892 HE3 LYS 104 HE3 LYS 104 22.926 31.231 15.457 893 HZ1 LYS 104 HZ1 LYS 104 21.234 32.219 16.901 894 HZ2 LYS 104 HZ2 LYS 104 22.799 32.536 17.458 895 HZ3 LYS 104 HZ3 LYS 104 21.849 31.364 18.226 896 H LYS 105 H LYS 105 18.958 26.696 14.680 897 HA LYS 105 HA LYS 105 18.763 28.763 12.600 898 HB2 LYS 105 HB2 LYS 105 20.609 27.124 12.432 899 HB3 LYS 105 HB3 LYS 105 19.460 25.791 12.438 900 HG2 LYS 105 HG2 LYS 105 18.628 26.362 10.267 901 HG3 LYS 105 HG3 LYS 105 19.459 27.921 10.279 902 HD2 LYS 105 HD2 LYS 105 20.825 25.199 10.217 903 HD3 LYS 105 HD3 LYS 105 20.597 26.254 8.818 904 HE2 LYS 105 HE2 LYS 105 21.972 28.004 9.981 905 HE3 LYS 105 HE3 LYS 105 22.261 26.859 11.293 906 HZ1 LYS 105 HZ1 LYS 105 23.294 25.377 9.637 907 HZ2 LYS 105 HZ2 LYS 105 24.105 26.846 9.812 908 HZ3 LYS 105 HZ3 LYS 105 23.119 26.582 8.471 909 H LYS 106 H LYS 106 16.866 29.109 11.598 910 HA LYS 106 HA LYS 106 14.452 27.895 12.316 911 HB2 LYS 106 HB2 LYS 106 13.368 29.427 10.914 912 HB3 LYS 106 HB3 LYS 106 14.850 30.265 11.317 913 HG2 LYS 106 HG2 LYS 106 14.783 28.710 8.743 914 HG3 LYS 106 HG3 LYS 106 13.845 30.187 8.829 915 HD2 LYS 106 HD2 LYS 106 15.887 30.820 7.862 916 HD3 LYS 106 HD3 LYS 106 16.001 31.366 9.532 917 HE2 LYS 106 HE2 LYS 106 18.100 30.376 8.685 918 HE3 LYS 106 HE3 LYS 106 17.463 29.499 10.068 919 HZ1 LYS 106 HZ1 LYS 106 18.266 28.022 8.323 920 HZ2 LYS 106 HZ2 LYS 106 17.154 28.673 7.232 921 HZ3 LYS 106 HZ3 LYS 106 16.608 27.810 8.576 922 H LYS 107 H LYS 107 12.881 26.890 10.882 923 HA LYS 107 HA LYS 107 14.125 24.642 9.439 924 HB2 LYS 107 HB2 LYS 107 12.794 24.064 11.458 925 HB3 LYS 107 HB3 LYS 107 11.404 24.896 10.795 926 HG2 LYS 107 HG2 LYS 107 10.858 22.671 10.423 927 HG3 LYS 107 HG3 LYS 107 11.537 23.128 8.864 928 HD2 LYS 107 HD2 LYS 107 13.047 21.643 11.060 929 HD3 LYS 107 HD3 LYS 107 12.270 20.858 9.690 930 HE2 LYS 107 HE2 LYS 107 13.829 22.033 8.158 931 HE3 LYS 107 HE3 LYS 107 14.596 22.807 9.545 932 HZ1 LYS 107 HZ1 LYS 107 15.855 20.902 8.813 933 HZ2 LYS 107 HZ2 LYS 107 14.515 19.889 9.008 934 HZ3 LYS 107 HZ3 LYS 107 15.230 20.617 10.355 935 H LEU 108 H LEU 108 13.276 23.928 7.493 936 HA LEU 108 HA LEU 108 12.042 25.809 5.715 937 HB2 LEU 108 HB2 LEU 108 13.756 23.994 5.087 938 HB3 LEU 108 HB3 LEU 108 12.481 22.819 5.269 939 HG LEU 108 HG LEU 108 13.028 23.420 2.889 940 HD11 LEU 108 HD11 LEU 108 10.854 22.450 3.412 941 HD12 LEU 108 HD12 LEU 108 10.769 23.565 2.050 942 HD13 LEU 108 HD13 LEU 108 10.181 24.067 3.640 943 HD21 LEU 108 HD21 LEU 108 11.822 26.117 3.553 944 HD22 LEU 108 HD22 LEU 108 12.287 25.549 1.946 945 HD23 LEU 108 HD23 LEU 108 13.517 25.790 3.184 946 H TRP 109 H TRP 109 9.926 26.308 6.085 947 HA TRP 109 HA TRP 109 7.952 24.240 6.736 948 HB2 TRP 109 HB2 TRP 109 7.646 27.242 6.275 949 HB3 TRP 109 HB3 TRP 109 6.316 26.165 6.671 950 HD1 TRP 109 HD1 TRP 109 9.784 26.713 8.362 951 HE1 TRP 109 HE1 TRP 109 9.396 27.135 10.859 952 HE3 TRP 109 HE3 TRP 109 4.681 26.457 8.439 953 HZ2 TRP 109 HZ2 TRP 109 7.234 27.338 12.639 954 HZ3 TRP 109 HZ3 TRP 109 3.520 26.785 10.593 955 HH2 TRP 109 HH2 TRP 109 4.776 27.221 12.654 956 H MET 110 H MET 110 6.047 24.030 5.315 957 HA MET 110 HA MET 110 6.474 24.617 2.481 958 HB2 MET 110 HB2 MET 110 5.819 22.139 1.995 959 HB3 MET 110 HB3 MET 110 7.461 22.450 2.544 960 HG2 MET 110 HG2 MET 110 6.848 21.774 4.823 961 HG3 MET 110 HG3 MET 110 5.193 21.481 4.301 962 HE1 MET 110 HE1 MET 110 5.192 19.837 1.717 963 HE2 MET 110 HE2 MET 110 4.364 19.343 3.197 964 HE3 MET 110 HE3 MET 110 5.388 18.193 2.331 965 H ALA 111 H ALA 111 4.703 25.227 1.517 966 HA ALA 111 HA ALA 111 2.125 25.092 2.934 967 HB1 ALA 111 HB1 ALA 111 1.479 26.953 1.435 968 HB2 ALA 111 HB2 ALA 111 3.065 26.892 0.664 969 HB3 ALA 111 HB3 ALA 111 2.921 27.334 2.366 970 H ILE 112 H ILE 112 1.225 23.219 2.353 971 HA ILE 112 HA ILE 112 1.443 22.067 -0.298 972 HB ILE 112 HB ILE 112 -0.354 21.164 2.005 973 HG12 ILE 112 HG12 ILE 112 2.543 20.292 1.535 974 HG13 ILE 112 HG13 ILE 112 2.007 21.376 2.816 975 HG21 ILE 112 HG21 ILE 112 -0.848 20.116 -0.164 976 HG22 ILE 112 HG22 ILE 112 -0.209 18.938 0.983 977 HG23 ILE 112 HG23 ILE 112 0.830 19.571 -0.295 978 HD11 ILE 112 HD11 ILE 112 1.213 18.480 2.505 979 HD12 ILE 112 HD12 ILE 112 0.653 19.569 3.776 980 HD13 ILE 112 HD13 ILE 112 2.361 19.141 3.670 981 H GLU 113 H GLU 113 0.076 22.699 -1.960 982 HA GLU 113 HA GLU 113 -2.188 24.410 -1.331 983 HB2 GLU 113 HB2 GLU 113 -0.851 25.095 -3.193 984 HB3 GLU 113 HB3 GLU 113 -0.966 23.527 -3.975 985 HG2 GLU 113 HG2 GLU 113 -3.370 23.907 -4.379 986 HG3 GLU 113 HG3 GLU 113 -3.267 25.468 -3.554 987 H LEU 114 H LEU 114 -3.967 23.538 -0.707 988 HA LEU 114 HA LEU 114 -4.852 20.870 -1.478 989 HB2 LEU 114 HB2 LEU 114 -5.562 22.902 0.641 990 HB3 LEU 114 HB3 LEU 114 -6.801 21.751 0.191 991 HG LEU 114 HG LEU 114 -5.491 21.097 2.226 992 HD11 LEU 114 HD11 LEU 114 -5.242 18.777 1.601 993 HD12 LEU 114 HD12 LEU 114 -5.252 19.202 -0.112 994 HD13 LEU 114 HD13 LEU 114 -6.692 19.461 0.877 995 HD21 LEU 114 HD21 LEU 114 -3.252 21.909 1.491 996 HD22 LEU 114 HD22 LEU 114 -3.183 20.584 0.321 997 HD23 LEU 114 HD23 LEU 114 -3.234 20.235 2.052 998 H GLU 115 H GLU 115 -6.370 20.530 -3.054 999 HA GLU 115 HA GLU 115 -8.432 22.576 -3.597 1000 HB2 GLU 115 HB2 GLU 115 -8.256 22.348 -5.987 1001 HB3 GLU 115 HB3 GLU 115 -6.632 22.695 -5.393 1002 HG2 GLU 115 HG2 GLU 115 -5.892 20.474 -5.759 1003 HG3 GLU 115 HG3 GLU 115 -7.534 19.857 -5.942 1004 H ASP 116 H ASP 116 -10.252 21.573 -4.920 1005 HA ASP 116 HA ASP 116 -11.877 20.024 -5.306 1006 HB2 ASP 116 HB2 ASP 116 -10.012 19.131 -6.735 1007 HB3 ASP 116 HB3 ASP 116 -9.497 18.109 -5.404 1008 H VAL 117 H VAL 117 -11.384 20.677 -2.574 1009 HA VAL 117 HA VAL 117 -11.144 18.402 -0.915 1010 HB VAL 117 HB VAL 117 -12.433 21.044 -0.133 1011 HG11 VAL 117 HG11 VAL 117 -11.205 18.852 1.580 1012 HG12 VAL 117 HG12 VAL 117 -12.920 19.251 1.465 1013 HG13 VAL 117 HG13 VAL 117 -11.794 20.405 2.181 1014 HG21 VAL 117 HG21 VAL 117 -10.165 21.459 -1.020 1015 HG22 VAL 117 HG22 VAL 117 -9.500 20.250 0.082 1016 HG23 VAL 117 HG23 VAL 117 -10.216 21.728 0.726 1017 H LYS 118 H LYS 118 -12.515 16.797 -1.032 1018 HA LYS 118 HA LYS 118 -15.361 17.065 -1.566 1019 HB2 LYS 118 HB2 LYS 118 -13.424 15.121 -2.126 1020 HB3 LYS 118 HB3 LYS 118 -14.283 14.390 -0.793 1021 HG2 LYS 118 HG2 LYS 118 -15.180 13.583 -2.867 1022 HG3 LYS 118 HG3 LYS 118 -16.396 14.581 -2.070 1023 HD2 LYS 118 HD2 LYS 118 -16.174 14.901 -4.580 1024 HD3 LYS 118 HD3 LYS 118 -16.080 16.373 -3.616 1025 HE2 LYS 118 HE2 LYS 118 -14.411 16.262 -5.491 1026 HE3 LYS 118 HE3 LYS 118 -13.687 16.494 -3.905 1027 HZ1 LYS 118 HZ1 LYS 118 -12.456 14.902 -5.231 1028 HZ2 LYS 118 HZ2 LYS 118 -13.825 13.920 -5.384 1029 HZ3 LYS 118 HZ3 LYS 118 -13.110 14.143 -3.867 1030 H LYS 119 H LYS 119 -16.931 15.965 -0.162 1031 HA LYS 119 HA LYS 119 -16.226 15.928 2.716 1032 HB2 LYS 119 HB2 LYS 119 -18.326 17.463 1.325 1033 HB3 LYS 119 HB3 LYS 119 -19.030 16.420 2.544 1034 HG2 LYS 119 HG2 LYS 119 -16.879 18.505 3.016 1035 HG3 LYS 119 HG3 LYS 119 -18.583 18.671 3.428 1036 HD2 LYS 119 HD2 LYS 119 -16.546 16.775 4.665 1037 HD3 LYS 119 HD3 LYS 119 -17.364 18.127 5.445 1038 HE2 LYS 119 HE2 LYS 119 -19.543 16.864 5.165 1039 HE3 LYS 119 HE3 LYS 119 -18.603 15.505 4.560 1040 HZ1 LYS 119 HZ1 LYS 119 -19.114 15.240 6.875 1041 HZ2 LYS 119 HZ2 LYS 119 -18.352 16.703 7.244 1042 HZ3 LYS 119 HZ3 LYS 119 -17.445 15.403 6.655 1043 H TYR 120 H TYR 120 -16.429 13.951 3.552 1044 HA TYR 120 HA TYR 120 -18.001 11.862 2.318 1045 HB2 TYR 120 HB2 TYR 120 -16.426 11.921 4.926 1046 HB3 TYR 120 HB3 TYR 120 -17.271 10.500 4.318 1047 HD1 TYR 120 HD1 TYR 120 -16.616 10.524 1.427 1048 HD2 TYR 120 HD2 TYR 120 -14.133 11.391 4.790 1049 HE1 TYR 120 HE1 TYR 120 -14.637 9.811 0.153 1050 HE2 TYR 120 HE2 TYR 120 -12.154 10.689 3.518 1051 HH TYR 120 HH TYR 120 -11.616 9.243 1.579 1052 H ASP 121 H ASP 121 -20.095 12.219 2.371 1053 HA ASP 121 HA ASP 121 -21.682 13.331 4.438 1054 HB2 ASP 121 HB2 ASP 121 -22.539 11.394 2.235 1055 HB3 ASP 121 HB3 ASP 121 -23.604 12.454 3.155 1056 H LYS 122 H LYS 122 -20.466 10.143 3.812 1057 HA LYS 122 HA LYS 122 -22.138 8.787 5.784 1058 HB2 LYS 122 HB2 LYS 122 -20.997 6.758 5.016 1059 HB3 LYS 122 HB3 LYS 122 -21.535 7.689 3.624 1060 HG2 LYS 122 HG2 LYS 122 -19.164 8.595 3.443 1061 HG3 LYS 122 HG3 LYS 122 -18.706 7.434 4.688 1062 HD2 LYS 122 HD2 LYS 122 -18.148 6.456 2.568 1063 HD3 LYS 122 HD3 LYS 122 -19.564 5.596 3.181 1064 HE2 LYS 122 HE2 LYS 122 -21.025 6.874 1.697 1065 HE3 LYS 122 HE3 LYS 122 -19.666 7.855 1.148 1066 HZ1 LYS 122 HZ1 LYS 122 -20.177 6.171 -0.454 1067 HZ2 LYS 122 HZ2 LYS 122 -20.023 4.945 0.699 1068 HZ3 LYS 122 HZ3 LYS 122 -18.666 5.841 0.232 1069 HA PRO 123 HA PRO 123 -18.947 9.342 9.012 1070 HB2 PRO 123 HB2 PRO 123 -19.936 7.629 10.893 1071 HB3 PRO 123 HB3 PRO 123 -20.705 9.182 10.538 1072 HG2 PRO 123 HG2 PRO 123 -21.453 6.431 9.562 1073 HG3 PRO 123 HG3 PRO 123 -22.507 7.724 10.172 1074 HD2 PRO 123 HD2 PRO 123 -22.146 7.228 7.501 1075 HD3 PRO 123 HD3 PRO 123 -22.520 8.846 8.139 1076 H ILE 124 H ILE 124 -17.191 8.474 7.795 1077 HA ILE 124 HA ILE 124 -16.719 5.616 7.659 1078 HB ILE 124 HB ILE 124 -14.816 7.906 6.966 1079 HG12 ILE 124 HG12 ILE 124 -16.659 6.264 5.173 1080 HG13 ILE 124 HG13 ILE 124 -16.783 7.984 5.515 1081 HG21 ILE 124 HG21 ILE 124 -13.582 5.822 7.435 1082 HG22 ILE 124 HG22 ILE 124 -13.486 6.232 5.724 1083 HG23 ILE 124 HG23 ILE 124 -14.576 4.951 6.264 1084 HD11 ILE 124 HD11 ILE 124 -15.899 7.618 3.306 1085 HD12 ILE 124 HD12 ILE 124 -14.594 6.621 3.942 1086 HD13 ILE 124 HD13 ILE 124 -14.655 8.346 4.320 1087 H LYS 125 H LYS 125 -15.396 4.436 8.952 1088 HA LYS 125 HA LYS 125 -14.368 5.614 11.436 1089 HB2 LYS 125 HB2 LYS 125 -14.614 2.695 10.560 1090 HB3 LYS 125 HB3 LYS 125 -13.987 3.215 12.112 1091 HG2 LYS 125 HG2 LYS 125 -16.216 2.446 12.448 1092 HG3 LYS 125 HG3 LYS 125 -16.228 4.195 12.642 1093 HD2 LYS 125 HD2 LYS 125 -18.213 3.349 11.416 1094 HD3 LYS 125 HD3 LYS 125 -17.255 4.463 10.439 1095 HE2 LYS 125 HE2 LYS 125 -17.996 2.558 9.095 1096 HE3 LYS 125 HE3 LYS 125 -16.242 2.534 9.265 1097 HZ1 LYS 125 HZ1 LYS 125 -18.154 0.892 10.829 1098 HZ2 LYS 125 HZ2 LYS 125 -16.475 0.857 10.993 1099 HZ3 LYS 125 HZ3 LYS 125 -17.196 0.334 9.556 1100 HA PRO 126 HA PRO 126 -10.189 5.775 9.718 1101 HB2 PRO 126 HB2 PRO 126 -8.715 5.443 12.059 1102 HB3 PRO 126 HB3 PRO 126 -9.444 6.969 11.546 1103 HG2 PRO 126 HG2 PRO 126 -10.512 4.914 13.475 1104 HG3 PRO 126 HG3 PRO 126 -10.470 6.686 13.636 1105 HD2 PRO 126 HD2 PRO 126 -12.734 5.445 12.918 1106 HD3 PRO 126 HD3 PRO 126 -12.281 6.992 12.164 1107 H LYS 127 H LYS 127 -9.344 4.145 8.564 1108 HA LYS 127 HA LYS 127 -9.480 1.395 9.067 1109 HB2 LYS 127 HB2 LYS 127 -8.955 2.675 6.867 1110 HB3 LYS 127 HB3 LYS 127 -7.286 2.715 7.403 1111 HG2 LYS 127 HG2 LYS 127 -8.829 0.122 7.060 1112 HG3 LYS 127 HG3 LYS 127 -7.970 0.887 5.725 1113 HD2 LYS 127 HD2 LYS 127 -5.835 0.636 6.917 1114 HD3 LYS 127 HD3 LYS 127 -6.668 -0.025 8.325 1115 HE2 LYS 127 HE2 LYS 127 -6.615 -1.318 5.573 1116 HE3 LYS 127 HE3 LYS 127 -5.596 -1.789 6.932 1117 HZ1 LYS 127 HZ1 LYS 127 -7.602 -2.356 8.177 1118 HZ2 LYS 127 HZ2 LYS 127 -7.514 -3.239 6.740 1119 HZ3 LYS 127 HZ3 LYS 127 -8.570 -1.923 6.860 1120 H ARG 128 H ARG 128 -7.088 3.800 9.944 1121 HA ARG 128 HA ARG 128 -6.162 2.195 12.174 1122 HB2 ARG 128 HB2 ARG 128 -3.783 2.438 11.674 1123 HB3 ARG 128 HB3 ARG 128 -4.564 1.611 10.332 1124 HG2 ARG 128 HG2 ARG 128 -4.574 3.731 9.043 1125 HG3 ARG 128 HG3 ARG 128 -3.764 4.543 10.388 1126 HD2 ARG 128 HD2 ARG 128 -1.854 2.966 10.152 1127 HD3 ARG 128 HD3 ARG 128 -2.657 2.231 8.760 1128 HE ARG 128 HE ARG 128 -2.468 4.918 8.182 1129 HH11 ARG 128 HH11 ARG 128 -0.180 2.340 8.898 1130 HH12 ARG 128 HH12 ARG 128 1.092 3.050 7.956 1131 HH21 ARG 128 HH21 ARG 128 -0.800 5.822 6.969 1132 HH22 ARG 128 HH22 ARG 128 0.738 5.036 6.878 1133 H LEU 129 H LEU 129 -4.752 3.561 13.609 1134 HA LEU 129 HA LEU 129 -6.189 5.937 14.235 1135 HB2 LEU 129 HB2 LEU 129 -4.971 4.229 15.823 1136 HB3 LEU 129 HB3 LEU 129 -3.539 5.183 15.520 1137 HG LEU 129 HG LEU 129 -4.683 5.729 17.678 1138 HD11 LEU 129 HD11 LEU 129 -3.274 7.440 16.661 1139 HD12 LEU 129 HD12 LEU 129 -4.621 8.148 17.544 1140 HD13 LEU 129 HD13 LEU 129 -4.663 8.080 15.779 1141 HD21 LEU 129 HD21 LEU 129 -6.945 6.752 15.940 1142 HD22 LEU 129 HD22 LEU 129 -6.824 6.911 17.696 1143 HD23 LEU 129 HD23 LEU 129 -6.988 5.316 16.966 1144 H VAL 130 H VAL 130 -5.834 7.960 13.569 1145 HA VAL 130 HA VAL 130 -3.241 8.667 12.325 1146 HB VAL 130 HB VAL 130 -5.866 10.172 11.918 1147 HG11 VAL 130 HG11 VAL 130 -4.692 11.155 9.952 1148 HG12 VAL 130 HG12 VAL 130 -3.229 10.259 10.388 1149 HG13 VAL 130 HG13 VAL 130 -3.856 11.506 11.469 1150 HG21 VAL 130 HG21 VAL 130 -6.177 7.889 11.032 1151 HG22 VAL 130 HG22 VAL 130 -4.691 8.030 10.090 1152 HG23 VAL 130 HG23 VAL 130 -6.078 9.055 9.709 1153 HA PRO 131 HA PRO 131 -3.111 11.122 16.247 1154 HB2 PRO 131 HB2 PRO 131 -0.426 11.222 16.527 1155 HB3 PRO 131 HB3 PRO 131 -1.315 9.724 16.852 1156 HG2 PRO 131 HG2 PRO 131 0.170 10.529 14.339 1157 HG3 PRO 131 HG3 PRO 131 0.273 9.004 15.250 1158 HD2 PRO 131 HD2 PRO 131 -1.299 9.260 13.028 1159 HD3 PRO 131 HD3 PRO 131 -1.740 8.191 14.383 1160 H VAL 132 H VAL 132 -1.448 13.106 16.717 1161 HA VAL 132 HA VAL 132 -2.288 15.240 15.074 1162 HB VAL 132 HB VAL 132 0.047 15.269 17.049 1163 HG11 VAL 132 HG11 VAL 132 -1.682 17.578 16.060 1164 HG12 VAL 132 HG12 VAL 132 0.004 17.286 15.631 1165 HG13 VAL 132 HG13 VAL 132 -0.424 17.695 17.293 1166 HG21 VAL 132 HG21 VAL 132 -1.582 15.961 18.780 1167 HG22 VAL 132 HG22 VAL 132 -1.987 14.371 18.131 1168 HG23 VAL 132 HG23 VAL 132 -2.903 15.790 17.621 1169 H GLY 133 H GLY 133 0.697 13.375 15.141 1170 HA2 GLY 133 HA2 GLY 133 2.194 14.873 13.230 1171 HA3 GLY 133 HA3 GLY 133 2.497 13.215 13.730 1172 H GLY 134 H GLY 134 -0.335 12.490 12.927 1173 HA2 GLY 134 HA2 GLY 134 -1.652 12.038 11.094 1174 HA3 GLY 134 HA3 GLY 134 -0.601 13.020 10.093 1175 H GLN 135 H GLN 135 -1.658 10.642 9.150 1176 HA GLN 135 HA GLN 135 0.644 8.759 9.052 1177 HB2 GLN 135 HB2 GLN 135 -2.321 8.179 8.554 1178 HB3 GLN 135 HB3 GLN 135 -1.021 7.007 8.366 1179 HG2 GLN 135 HG2 GLN 135 -1.879 8.318 10.955 1180 HG3 GLN 135 HG3 GLN 135 -2.252 6.672 10.446 1181 HE21 GLN 135 HE21 GLN 135 0.210 8.813 11.656 1182 HE22 GLN 135 HE22 GLN 135 1.336 7.587 12.089 1183 H TYR 136 H TYR 136 1.312 8.054 7.014 1184 HA TYR 136 HA TYR 136 0.413 9.529 4.664 1185 HB2 TYR 136 HB2 TYR 136 2.698 7.655 5.258 1186 HB3 TYR 136 HB3 TYR 136 2.145 7.743 3.594 1187 HD1 TYR 136 HD1 TYR 136 1.804 10.257 2.687 1188 HD2 TYR 136 HD2 TYR 136 4.464 9.131 5.845 1189 HE1 TYR 136 HE1 TYR 136 3.173 12.249 2.256 1190 HE2 TYR 136 HE2 TYR 136 5.833 11.127 5.402 1191 HH TYR 136 HH TYR 136 4.792 13.689 3.429 1192 H LEU 137 H LEU 137 -1.217 8.867 3.445 1193 HA LEU 137 HA LEU 137 -2.415 6.231 3.824 1194 HB2 LEU 137 HB2 LEU 137 -3.573 8.671 3.521 1195 HB3 LEU 137 HB3 LEU 137 -3.524 8.205 1.837 1196 HG LEU 137 HG LEU 137 -5.023 6.815 4.094 1197 HD11 LEU 137 HD11 LEU 137 -6.088 8.828 3.247 1198 HD12 LEU 137 HD12 LEU 137 -7.024 7.402 2.808 1199 HD13 LEU 137 HD13 LEU 137 -6.021 8.207 1.595 1200 HD21 LEU 137 HD21 LEU 137 -4.147 5.044 2.633 1201 HD22 LEU 137 HD22 LEU 137 -4.814 5.848 1.213 1202 HD23 LEU 137 HD23 LEU 137 -5.892 5.194 2.447 1203 H ARG 138 H ARG 138 -1.951 4.573 2.466 1204 HA ARG 138 HA ARG 138 -1.246 5.143 -0.340 1205 HB2 ARG 138 HB2 ARG 138 0.503 3.539 -0.426 1206 HB3 ARG 138 HB3 ARG 138 0.843 4.537 0.953 1207 HG2 ARG 138 HG2 ARG 138 -0.290 1.723 1.047 1208 HG3 ARG 138 HG3 ARG 138 1.398 2.165 1.294 1209 HD2 ARG 138 HD2 ARG 138 0.600 3.619 3.264 1210 HD3 ARG 138 HD3 ARG 138 -0.957 2.805 3.096 1211 HE ARG 138 HE ARG 138 -0.031 0.854 3.924 1212 HH11 ARG 138 HH11 ARG 138 2.538 3.229 3.459 1213 HH12 ARG 138 HH12 ARG 138 3.723 2.286 4.303 1214 HH21 ARG 138 HH21 ARG 138 1.549 -0.371 5.023 1215 HH22 ARG 138 HH22 ARG 138 3.159 0.252 5.194 1216 H GLU 139 H GLU 139 -2.377 3.973 -1.819 1217 HA GLU 139 HA GLU 139 -4.006 1.711 -0.886 1218 HB2 GLU 139 HB2 GLU 139 -5.277 3.823 -0.354 1219 HB3 GLU 139 HB3 GLU 139 -5.260 4.236 -2.064 1220 HG2 GLU 139 HG2 GLU 139 -6.597 2.256 -2.579 1221 HG3 GLU 139 HG3 GLU 139 -6.564 1.773 -0.886 Start of MODEL 14 1 H MET 1 H MET 1 1.156 0.749 -0.971 2 HA MET 1 HA MET 1 3.431 -0.855 -1.943 3 HB2 MET 1 HB2 MET 1 1.333 -1.113 -3.293 4 HB3 MET 1 HB3 MET 1 1.286 0.631 -3.512 5 HG2 MET 1 HG2 MET 1 2.148 -0.443 -5.505 6 HG3 MET 1 HG3 MET 1 3.404 0.536 -4.752 7 HE1 MET 1 HE1 MET 1 2.136 -3.094 -5.548 8 HE2 MET 1 HE2 MET 1 2.100 -3.099 -3.783 9 HE3 MET 1 HE3 MET 1 3.274 -4.092 -4.641 10 H SER 2 H SER 2 5.082 0.415 -2.986 11 HA SER 2 HA SER 2 5.916 2.568 -1.378 12 HB2 SER 2 HB2 SER 2 7.065 1.636 -4.043 13 HB3 SER 2 HB3 SER 2 7.906 2.622 -2.846 14 HG SER 2 HG SER 2 8.472 0.823 -1.948 15 H LYS 3 H LYS 3 4.064 2.621 -4.295 16 HA LYS 3 HA LYS 3 4.632 5.151 -5.377 17 HB2 LYS 3 HB2 LYS 3 2.281 5.011 -6.335 18 HB3 LYS 3 HB3 LYS 3 3.299 3.613 -6.659 19 HG2 LYS 3 HG2 LYS 3 2.169 2.271 -5.048 20 HG3 LYS 3 HG3 LYS 3 1.334 3.659 -4.347 21 HD2 LYS 3 HD2 LYS 3 0.860 2.728 -7.205 22 HD3 LYS 3 HD3 LYS 3 -0.051 2.096 -5.832 23 HE2 LYS 3 HE2 LYS 3 -0.675 4.517 -5.292 24 HE3 LYS 3 HE3 LYS 3 -0.008 4.945 -6.872 25 HZ1 LYS 3 HZ1 LYS 3 -2.215 3.020 -6.378 26 HZ2 LYS 3 HZ2 LYS 3 -1.611 3.462 -7.896 27 HZ3 LYS 3 HZ3 LYS 3 -2.401 4.604 -6.937 28 H ILE 4 H ILE 4 2.986 4.370 -2.429 29 HA ILE 4 HA ILE 4 1.732 5.445 -0.893 30 HB ILE 4 HB ILE 4 2.716 8.068 -2.140 31 HG12 ILE 4 HG12 ILE 4 4.644 6.606 -1.647 32 HG13 ILE 4 HG13 ILE 4 4.625 7.975 -0.545 33 HG21 ILE 4 HG21 ILE 4 1.739 7.517 0.693 34 HG22 ILE 4 HG22 ILE 4 0.982 8.566 -0.506 35 HG23 ILE 4 HG23 ILE 4 2.536 9.012 0.188 36 HD11 ILE 4 HD11 ILE 4 5.246 5.954 0.606 37 HD12 ILE 4 HD12 ILE 4 3.769 5.151 0.081 38 HD13 ILE 4 HD13 ILE 4 3.683 6.509 1.207 39 H VAL 5 H VAL 5 -0.245 7.400 -0.956 40 HA VAL 5 HA VAL 5 -1.142 7.929 -3.688 41 HB VAL 5 HB VAL 5 -3.617 7.751 -2.925 42 HG11 VAL 5 HG11 VAL 5 -2.103 5.169 -3.403 43 HG12 VAL 5 HG12 VAL 5 -2.699 6.279 -4.640 44 HG13 VAL 5 HG13 VAL 5 -3.841 5.407 -3.619 45 HG21 VAL 5 HG21 VAL 5 -4.162 6.057 -1.216 46 HG22 VAL 5 HG22 VAL 5 -3.258 7.406 -0.526 47 HG23 VAL 5 HG23 VAL 5 -2.444 5.875 -0.850 48 H GLY 6 H GLY 6 -1.402 8.591 -0.224 49 HA2 GLY 6 HA2 GLY 6 -1.026 11.388 -0.602 50 HA3 GLY 6 HA3 GLY 6 -2.683 11.003 -0.157 51 H VAL 7 H VAL 7 -2.112 12.392 1.674 52 HA VAL 7 HA VAL 7 -1.201 10.700 3.931 53 HB VAL 7 HB VAL 7 0.447 12.547 3.434 54 HG11 VAL 7 HG11 VAL 7 -1.789 14.456 4.199 55 HG12 VAL 7 HG12 VAL 7 -1.080 14.270 2.594 56 HG13 VAL 7 HG13 VAL 7 -0.101 14.895 3.920 57 HG21 VAL 7 HG21 VAL 7 -0.931 12.801 6.137 58 HG22 VAL 7 HG22 VAL 7 0.705 13.352 5.762 59 HG23 VAL 7 HG23 VAL 7 0.322 11.630 5.711 60 H THR 8 H THR 8 -2.380 11.096 5.922 61 HA THR 8 HA THR 8 -4.961 12.514 5.629 62 HB THR 8 HB THR 8 -5.539 10.175 5.433 63 HG1 THR 8 HG1 THR 8 -6.819 11.544 6.905 64 HG21 THR 8 HG21 THR 8 -3.540 9.122 6.401 65 HG22 THR 8 HG22 THR 8 -5.004 8.478 7.147 66 HG23 THR 8 HG23 THR 8 -4.017 9.660 8.012 67 H TYR 9 H TYR 9 -5.558 13.751 7.331 68 HA TYR 9 HA TYR 9 -4.034 13.728 9.832 69 HB2 TYR 9 HB2 TYR 9 -4.207 15.998 7.851 70 HB3 TYR 9 HB3 TYR 9 -4.311 16.422 9.551 71 HD1 TYR 9 HD1 TYR 9 -2.393 16.148 11.039 72 HD2 TYR 9 HD2 TYR 9 -2.066 15.164 6.891 73 HE1 TYR 9 HE1 TYR 9 0.049 16.134 11.236 74 HE2 TYR 9 HE2 TYR 9 0.386 15.152 7.094 75 HH TYR 9 HH TYR 9 1.980 14.973 9.974 76 HA PRO 10 HA PRO 10 -8.201 14.366 11.545 77 HB2 PRO 10 HB2 PRO 10 -6.801 15.350 13.982 78 HB3 PRO 10 HB3 PRO 10 -7.877 13.961 13.799 79 HG2 PRO 10 HG2 PRO 10 -5.199 13.696 14.183 80 HG3 PRO 10 HG3 PRO 10 -6.142 12.526 13.239 81 HD2 PRO 10 HD2 PRO 10 -4.344 14.734 12.270 82 HD3 PRO 10 HD3 PRO 10 -4.568 13.095 11.630 83 H ILE 11 H ILE 11 -5.575 16.675 12.157 84 HA ILE 11 HA ILE 11 -5.311 18.896 12.103 85 HB ILE 11 HB ILE 11 -7.892 18.929 10.466 86 HG12 ILE 11 HG12 ILE 11 -4.975 19.039 9.549 87 HG13 ILE 11 HG13 ILE 11 -6.000 17.611 9.472 88 HG21 ILE 11 HG21 ILE 11 -7.242 21.190 9.694 89 HG22 ILE 11 HG22 ILE 11 -5.858 21.173 10.789 90 HG23 ILE 11 HG23 ILE 11 -7.498 21.160 11.441 91 HD11 ILE 11 HD11 ILE 11 -6.427 20.175 7.961 92 HD12 ILE 11 HD12 ILE 11 -7.460 18.745 7.888 93 HD13 ILE 11 HD13 ILE 11 -5.795 18.662 7.319 94 HA PRO 12 HA PRO 12 -7.404 20.328 15.903 95 HB2 PRO 12 HB2 PRO 12 -6.702 23.004 14.675 96 HB3 PRO 12 HB3 PRO 12 -6.519 22.464 16.353 97 HG2 PRO 12 HG2 PRO 12 -4.400 22.544 14.738 98 HG3 PRO 12 HG3 PRO 12 -4.607 21.187 15.866 99 HD2 PRO 12 HD2 PRO 12 -5.036 21.268 12.895 100 HD3 PRO 12 HD3 PRO 12 -4.451 19.933 13.912 101 H LYS 13 H LYS 13 -9.558 20.493 16.109 102 HA LYS 13 HA LYS 13 -11.333 20.669 13.947 103 HB2 LYS 13 HB2 LYS 13 -13.126 20.695 15.753 104 HB3 LYS 13 HB3 LYS 13 -11.962 19.378 15.846 105 HG2 LYS 13 HG2 LYS 13 -10.709 20.722 17.586 106 HG3 LYS 13 HG3 LYS 13 -12.056 21.865 17.584 107 HD2 LYS 13 HD2 LYS 13 -13.581 20.166 18.403 108 HD3 LYS 13 HD3 LYS 13 -12.369 18.897 18.199 109 HE2 LYS 13 HE2 LYS 13 -10.976 19.975 19.950 110 HE3 LYS 13 HE3 LYS 13 -12.213 21.217 20.159 111 HZ1 LYS 13 HZ1 LYS 13 -12.628 18.308 20.621 112 HZ2 LYS 13 HZ2 LYS 13 -13.751 19.539 20.897 113 HZ3 LYS 13 HZ3 LYS 13 -12.347 19.459 21.832 114 H ARG 14 H ARG 14 -9.995 23.216 15.834 115 HA ARG 14 HA ARG 14 -11.811 25.323 15.240 116 HB2 ARG 14 HB2 ARG 14 -8.813 25.304 15.782 117 HB3 ARG 14 HB3 ARG 14 -9.755 26.786 15.629 118 HG2 ARG 14 HG2 ARG 14 -11.069 26.217 17.589 119 HG3 ARG 14 HG3 ARG 14 -10.286 24.636 17.703 120 HD2 ARG 14 HD2 ARG 14 -9.385 26.278 19.334 121 HD3 ARG 14 HD3 ARG 14 -8.154 25.672 18.223 122 HE ARG 14 HE ARG 14 -9.347 28.152 17.354 123 HH11 ARG 14 HH11 ARG 14 -6.824 26.781 19.391 124 HH12 ARG 14 HH12 ARG 14 -5.873 28.232 19.397 125 HH21 ARG 14 HH21 ARG 14 -8.073 30.068 17.405 126 HH22 ARG 14 HH22 ARG 14 -6.577 30.072 18.277 127 H PHE 15 H PHE 15 -8.971 24.042 13.587 128 HA PHE 15 HA PHE 15 -9.255 25.888 11.310 129 HB2 PHE 15 HB2 PHE 15 -6.951 24.043 12.065 130 HB3 PHE 15 HB3 PHE 15 -6.932 25.257 10.790 131 HD1 PHE 15 HD1 PHE 15 -7.072 27.715 11.432 132 HD2 PHE 15 HD2 PHE 15 -6.440 24.646 14.333 133 HE1 PHE 15 HE1 PHE 15 -6.230 29.382 13.023 134 HE2 PHE 15 HE2 PHE 15 -5.604 26.326 15.926 135 HZ PHE 15 HZ PHE 15 -5.499 28.698 15.270 136 H MET 16 H MET 16 -10.372 22.892 12.075 137 HA MET 16 HA MET 16 -9.704 21.353 9.742 138 HB2 MET 16 HB2 MET 16 -10.247 20.229 11.825 139 HB3 MET 16 HB3 MET 16 -11.823 20.995 11.895 140 HG2 MET 16 HG2 MET 16 -11.126 19.119 9.635 141 HG3 MET 16 HG3 MET 16 -11.664 18.502 11.194 142 HE1 MET 16 HE1 MET 16 -13.814 20.778 12.049 143 HE2 MET 16 HE2 MET 16 -14.110 19.048 12.239 144 HE3 MET 16 HE3 MET 16 -15.297 20.063 11.420 145 H ASP 17 H ASP 17 -12.465 23.369 10.715 146 HA ASP 17 HA ASP 17 -14.217 22.793 8.569 147 HB2 ASP 17 HB2 ASP 17 -14.042 25.319 10.265 148 HB3 ASP 17 HB3 ASP 17 -15.398 24.904 9.224 149 H ARG 18 H ARG 18 -11.424 24.857 8.752 150 HA ARG 18 HA ARG 18 -11.807 26.880 6.893 151 HB2 ARG 18 HB2 ARG 18 -9.263 25.303 7.497 152 HB3 ARG 18 HB3 ARG 18 -9.288 26.828 6.613 153 HG2 ARG 18 HG2 ARG 18 -10.331 26.535 9.445 154 HG3 ARG 18 HG3 ARG 18 -8.660 26.960 9.070 155 HD2 ARG 18 HD2 ARG 18 -9.298 29.044 8.103 156 HD3 ARG 18 HD3 ARG 18 -10.996 28.570 8.014 157 HE ARG 18 HE ARG 18 -11.267 29.010 10.275 158 HH11 ARG 18 HH11 ARG 18 -7.867 29.482 9.453 159 HH12 ARG 18 HH12 ARG 18 -7.533 30.385 10.894 160 HH21 ARG 18 HH21 ARG 18 -10.786 30.211 12.148 161 HH22 ARG 18 HH22 ARG 18 -9.168 30.786 12.411 162 H PHE 19 H PHE 19 -10.801 23.551 6.252 163 HA PHE 19 HA PHE 19 -10.092 23.931 3.508 164 HB2 PHE 19 HB2 PHE 19 -10.695 21.369 5.053 165 HB3 PHE 19 HB3 PHE 19 -9.942 21.430 3.464 166 HD1 PHE 19 HD1 PHE 19 -9.451 22.469 7.024 167 HD2 PHE 19 HD2 PHE 19 -7.582 21.679 3.258 168 HE1 PHE 19 HE1 PHE 19 -7.240 22.646 8.075 169 HE2 PHE 19 HE2 PHE 19 -5.377 21.845 4.327 170 HZ PHE 19 HZ PHE 19 -5.209 22.346 6.727 171 H PHE 20 H PHE 20 -13.047 23.161 5.163 172 HA PHE 20 HA PHE 20 -14.509 22.386 2.726 173 HB2 PHE 20 HB2 PHE 20 -15.509 22.519 5.608 174 HB3 PHE 20 HB3 PHE 20 -16.275 21.687 4.260 175 HD1 PHE 20 HD1 PHE 20 -15.035 19.698 3.217 176 HD2 PHE 20 HD2 PHE 20 -13.932 21.360 6.993 177 HE1 PHE 20 HE1 PHE 20 -13.843 17.629 3.781 178 HE2 PHE 20 HE2 PHE 20 -12.739 19.280 7.548 179 HZ PHE 20 HZ PHE 20 -12.700 17.416 5.940 180 H LYS 21 H LYS 21 -13.859 25.103 4.684 181 HA LYS 21 HA LYS 21 -16.314 26.567 4.449 182 HB2 LYS 21 HB2 LYS 21 -14.792 26.822 6.364 183 HB3 LYS 21 HB3 LYS 21 -13.505 27.387 5.317 184 HG2 LYS 21 HG2 LYS 21 -16.085 28.942 5.519 185 HG3 LYS 21 HG3 LYS 21 -14.878 29.073 6.796 186 HD2 LYS 21 HD2 LYS 21 -13.200 29.864 5.133 187 HD3 LYS 21 HD3 LYS 21 -14.408 29.716 3.851 188 HE2 LYS 21 HE2 LYS 21 -14.570 31.595 6.235 189 HE3 LYS 21 HE3 LYS 21 -14.207 32.052 4.569 190 HZ1 LYS 21 HZ1 LYS 21 -16.402 31.282 3.922 191 HZ2 LYS 21 HZ2 LYS 21 -16.514 32.475 5.112 192 HZ3 LYS 21 HZ3 LYS 21 -16.756 30.851 5.517 193 H LYS 22 H LYS 22 -13.071 27.015 3.078 194 HA LYS 22 HA LYS 22 -14.025 29.075 1.213 195 HB2 LYS 22 HB2 LYS 22 -11.617 29.533 0.899 196 HB3 LYS 22 HB3 LYS 22 -12.042 29.514 2.609 197 HG2 LYS 22 HG2 LYS 22 -11.238 27.038 2.563 198 HG3 LYS 22 HG3 LYS 22 -10.480 27.464 1.030 199 HD2 LYS 22 HD2 LYS 22 -8.845 27.650 2.792 200 HD3 LYS 22 HD3 LYS 22 -9.209 29.276 2.209 201 HE2 LYS 22 HE2 LYS 22 -10.542 29.735 4.186 202 HE3 LYS 22 HE3 LYS 22 -10.465 28.046 4.691 203 HZ1 LYS 22 HZ1 LYS 22 -8.115 28.239 5.046 204 HZ2 LYS 22 HZ2 LYS 22 -8.910 29.460 5.912 205 HZ3 LYS 22 HZ3 LYS 22 -8.108 29.831 4.477 206 H GLY 23 H GLY 23 -13.373 25.740 1.242 207 HA2 GLY 23 HA2 GLY 23 -13.721 24.209 -0.472 208 HA3 GLY 23 HA3 GLY 23 -13.634 25.504 -1.657 209 H LYS 24 H LYS 24 -11.262 26.644 -1.492 210 HA LYS 24 HA LYS 24 -9.264 24.453 -1.667 211 HB2 LYS 24 HB2 LYS 24 -9.358 27.108 -3.150 212 HB3 LYS 24 HB3 LYS 24 -7.965 26.026 -3.160 213 HG2 LYS 24 HG2 LYS 24 -9.495 24.234 -4.102 214 HG3 LYS 24 HG3 LYS 24 -10.725 25.490 -4.290 215 HD2 LYS 24 HD2 LYS 24 -9.274 26.731 -5.819 216 HD3 LYS 24 HD3 LYS 24 -7.956 25.587 -5.553 217 HE2 LYS 24 HE2 LYS 24 -9.341 23.795 -6.578 218 HE3 LYS 24 HE3 LYS 24 -10.620 24.975 -6.879 219 HZ1 LYS 24 HZ1 LYS 24 -7.879 25.028 -8.020 220 HZ2 LYS 24 HZ2 LYS 24 -9.055 26.213 -8.268 221 HZ3 LYS 24 HZ3 LYS 24 -9.304 24.644 -8.848 222 H ASP 25 H ASP 25 -8.232 24.356 0.179 223 HA ASP 25 HA ASP 25 -7.416 26.772 1.653 224 HB2 ASP 25 HB2 ASP 25 -8.800 24.905 2.747 225 HB3 ASP 25 HB3 ASP 25 -7.363 23.903 2.639 226 H VAL 26 H VAL 26 -5.195 26.313 2.894 227 HA VAL 26 HA VAL 26 -3.289 24.692 1.334 228 HB VAL 26 HB VAL 26 -2.753 27.574 2.222 229 HG11 VAL 26 HG11 VAL 26 -0.476 27.299 1.272 230 HG12 VAL 26 HG12 VAL 26 -0.803 25.587 0.990 231 HG13 VAL 26 HG13 VAL 26 -0.752 26.215 2.638 232 HG21 VAL 26 HG21 VAL 26 -4.005 27.466 0.118 233 HG22 VAL 26 HG22 VAL 26 -2.808 26.366 -0.567 234 HG23 VAL 26 HG23 VAL 26 -2.359 28.028 -0.179 235 H PHE 27 H PHE 27 -2.688 23.184 2.764 236 HA PHE 27 HA PHE 27 -2.592 23.666 5.648 237 HB2 PHE 27 HB2 PHE 27 -3.622 21.573 4.716 238 HB3 PHE 27 HB3 PHE 27 -2.061 21.111 4.056 239 HD1 PHE 27 HD1 PHE 27 -3.634 22.051 7.332 240 HD2 PHE 27 HD2 PHE 27 -0.735 19.629 5.329 241 HE1 PHE 27 HE1 PHE 27 -3.164 20.884 9.433 242 HE2 PHE 27 HE2 PHE 27 -0.283 18.457 7.442 243 HZ PHE 27 HZ PHE 27 -1.491 19.077 9.492 244 H VAL 28 H VAL 28 -0.723 24.574 6.431 245 HA VAL 28 HA VAL 28 1.824 24.107 5.058 246 HB VAL 28 HB VAL 28 2.788 25.831 6.589 247 HG11 VAL 28 HG11 VAL 28 0.321 26.688 5.026 248 HG12 VAL 28 HG12 VAL 28 1.957 26.485 4.388 249 HG13 VAL 28 HG13 VAL 28 1.617 27.770 5.549 250 HG21 VAL 28 HG21 VAL 28 1.303 25.572 8.541 251 HG22 VAL 28 HG22 VAL 28 -0.067 26.180 7.606 252 HG23 VAL 28 HG23 VAL 28 1.296 27.245 7.975 253 H LYS 29 H LYS 29 3.233 22.692 5.667 254 HA LYS 29 HA LYS 29 3.294 21.515 8.368 255 HB2 LYS 29 HB2 LYS 29 4.224 20.472 5.655 256 HB3 LYS 29 HB3 LYS 29 4.716 19.710 7.165 257 HG2 LYS 29 HG2 LYS 29 1.779 20.053 6.549 258 HG3 LYS 29 HG3 LYS 29 2.698 18.765 5.774 259 HD2 LYS 29 HD2 LYS 29 1.637 17.826 7.710 260 HD3 LYS 29 HD3 LYS 29 3.360 17.933 8.054 261 HE2 LYS 29 HE2 LYS 29 2.909 20.009 9.385 262 HE3 LYS 29 HE3 LYS 29 1.182 19.784 9.095 263 HZ1 LYS 29 HZ1 LYS 29 1.700 18.878 11.204 264 HZ2 LYS 29 HZ2 LYS 29 3.015 18.014 10.598 265 HZ3 LYS 29 HZ3 LYS 29 1.447 17.564 10.167 266 HA PRO 30 HA PRO 30 7.509 23.373 8.563 267 HB2 PRO 30 HB2 PRO 30 8.152 22.607 11.085 268 HB3 PRO 30 HB3 PRO 30 7.004 23.923 10.789 269 HG2 PRO 30 HG2 PRO 30 6.447 21.034 11.474 270 HG3 PRO 30 HG3 PRO 30 5.698 22.503 12.138 271 HD2 PRO 30 HD2 PRO 30 4.536 20.990 10.149 272 HD3 PRO 30 HD3 PRO 30 4.252 22.737 10.332 273 H ALA 31 H ALA 31 7.361 21.337 6.898 274 HA ALA 31 HA ALA 31 8.142 19.411 6.008 275 HB1 ALA 31 HB1 ALA 31 10.556 19.069 6.197 276 HB2 ALA 31 HB2 ALA 31 10.608 20.109 7.622 277 HB3 ALA 31 HB3 ALA 31 10.182 20.789 6.053 278 H THR 32 H THR 32 6.565 18.948 8.309 279 HA THR 32 HA THR 32 7.527 16.945 10.060 280 HB THR 32 HB THR 32 4.657 17.242 9.064 281 HG1 THR 32 HG1 THR 32 6.101 18.793 10.946 282 HG21 THR 32 HG21 THR 32 5.036 15.254 10.494 283 HG22 THR 32 HG22 THR 32 4.010 16.442 11.301 284 HG23 THR 32 HG23 THR 32 5.710 16.290 11.756 285 H VAL 33 H VAL 33 5.924 16.847 6.947 286 HA VAL 33 HA VAL 33 5.830 13.957 6.741 287 HB VAL 33 HB VAL 33 4.734 14.429 4.511 288 HG11 VAL 33 HG11 VAL 33 2.615 15.313 5.436 289 HG12 VAL 33 HG12 VAL 33 3.462 15.854 6.887 290 HG13 VAL 33 HG13 VAL 33 3.341 14.130 6.526 291 HG21 VAL 33 HG21 VAL 33 4.066 16.758 3.968 292 HG22 VAL 33 HG22 VAL 33 5.819 16.577 3.984 293 HG23 VAL 33 HG23 VAL 33 5.003 17.347 5.346 294 H TRP 34 H TRP 34 6.832 12.766 5.097 295 HA TRP 34 HA TRP 34 9.552 13.427 4.495 296 HB2 TRP 34 HB2 TRP 34 7.808 11.076 3.637 297 HB3 TRP 34 HB3 TRP 34 9.537 11.183 3.335 298 HD1 TRP 34 HD1 TRP 34 7.100 11.000 6.366 299 HE1 TRP 34 HE1 TRP 34 8.309 9.786 8.276 300 HE3 TRP 34 HE3 TRP 34 11.718 10.446 4.210 301 HZ2 TRP 34 HZ2 TRP 34 10.862 8.735 8.819 302 HZ3 TRP 34 HZ3 TRP 34 13.492 9.326 5.504 303 HH2 TRP 34 HH2 TRP 34 13.072 8.488 7.763 304 H LYS 35 H LYS 35 10.270 12.658 2.106 305 HA LYS 35 HA LYS 35 9.442 14.648 0.243 306 HB2 LYS 35 HB2 LYS 35 11.227 12.210 -0.023 307 HB3 LYS 35 HB3 LYS 35 10.947 13.309 -1.367 308 HG2 LYS 35 HG2 LYS 35 12.184 14.087 1.302 309 HG3 LYS 35 HG3 LYS 35 13.083 13.753 -0.182 310 HD2 LYS 35 HD2 LYS 35 11.053 15.997 0.197 311 HD3 LYS 35 HD3 LYS 35 12.808 16.188 0.210 312 HE2 LYS 35 HE2 LYS 35 12.915 15.454 -2.144 313 HE3 LYS 35 HE3 LYS 35 11.166 15.213 -2.159 314 HZ1 LYS 35 HZ1 LYS 35 10.847 17.547 -1.810 315 HZ2 LYS 35 HZ2 LYS 35 11.858 17.321 -3.147 316 HZ3 LYS 35 HZ3 LYS 35 12.514 17.806 -1.667 317 H GLU 36 H GLU 36 7.883 11.811 1.032 318 HA GLU 36 HA GLU 36 6.864 10.919 -1.456 319 HB2 GLU 36 HB2 GLU 36 5.413 10.737 1.216 320 HB3 GLU 36 HB3 GLU 36 5.259 9.659 -0.168 321 HG2 GLU 36 HG2 GLU 36 7.602 9.903 1.740 322 HG3 GLU 36 HG3 GLU 36 6.501 8.540 1.562 323 H LEU 37 H LEU 37 6.070 13.636 0.614 324 HA LEU 37 HA LEU 37 3.474 14.188 -0.393 325 HB2 LEU 37 HB2 LEU 37 4.974 15.188 1.706 326 HB3 LEU 37 HB3 LEU 37 5.039 16.529 0.585 327 HG LEU 37 HG LEU 37 3.219 16.954 2.067 328 HD11 LEU 37 HD11 LEU 37 1.272 17.087 0.638 329 HD12 LEU 37 HD12 LEU 37 1.974 15.921 -0.487 330 HD13 LEU 37 HD13 LEU 37 2.726 17.505 -0.268 331 HD21 LEU 37 HD21 LEU 37 2.148 14.189 1.464 332 HD22 LEU 37 HD22 LEU 37 1.396 15.400 2.510 333 HD23 LEU 37 HD23 LEU 37 2.948 14.695 2.954 334 H LYS 38 H LYS 38 3.451 14.151 -2.602 335 HA LYS 38 HA LYS 38 4.939 16.282 -4.019 336 HB2 LYS 38 HB2 LYS 38 4.947 14.911 -6.004 337 HB3 LYS 38 HB3 LYS 38 5.564 13.951 -4.679 338 HG2 LYS 38 HG2 LYS 38 4.216 12.379 -5.685 339 HG3 LYS 38 HG3 LYS 38 3.052 13.069 -4.555 340 HD2 LYS 38 HD2 LYS 38 2.034 12.796 -6.768 341 HD3 LYS 38 HD3 LYS 38 2.144 14.503 -6.366 342 HE2 LYS 38 HE2 LYS 38 4.170 14.693 -7.790 343 HE3 LYS 38 HE3 LYS 38 4.028 12.982 -8.201 344 HZ1 LYS 38 HZ1 LYS 38 3.111 14.381 -9.925 345 HZ2 LYS 38 HZ2 LYS 38 2.033 15.092 -8.832 346 HZ3 LYS 38 HZ3 LYS 38 1.882 13.452 -9.223 347 HA PRO 39 HA PRO 39 0.967 18.142 -4.944 348 HB2 PRO 39 HB2 PRO 39 1.538 19.518 -7.245 349 HB3 PRO 39 HB3 PRO 39 2.138 20.021 -5.657 350 HG2 PRO 39 HG2 PRO 39 3.555 18.497 -7.828 351 HG3 PRO 39 HG3 PRO 39 4.164 19.814 -6.807 352 HD2 PRO 39 HD2 PRO 39 4.714 17.165 -6.332 353 HD3 PRO 39 HD3 PRO 39 4.639 18.385 -5.033 354 H GLY 40 H GLY 40 -0.461 16.562 -5.410 355 HA2 GLY 40 HA2 GLY 40 -1.722 16.009 -7.669 356 HA3 GLY 40 HA3 GLY 40 -0.304 14.986 -7.880 357 H MET 41 H MET 41 -0.410 14.793 -4.760 358 HA MET 41 HA MET 41 -1.765 12.261 -4.672 359 HB2 MET 41 HB2 MET 41 -0.421 13.922 -2.499 360 HB3 MET 41 HB3 MET 41 -1.093 12.323 -2.229 361 HG2 MET 41 HG2 MET 41 0.528 11.627 -4.194 362 HG3 MET 41 HG3 MET 41 1.375 13.104 -3.736 363 HE1 MET 41 HE1 MET 41 1.987 12.230 0.155 364 HE2 MET 41 HE2 MET 41 0.425 12.801 -0.423 365 HE3 MET 41 HE3 MET 41 1.908 13.551 -1.013 366 H LYS 42 H LYS 42 -3.027 11.953 -2.399 367 HA LYS 42 HA LYS 42 -5.295 13.856 -2.372 368 HB2 LYS 42 HB2 LYS 42 -6.504 11.893 -1.215 369 HB3 LYS 42 HB3 LYS 42 -6.203 11.749 -2.939 370 HG2 LYS 42 HG2 LYS 42 -4.333 10.249 -2.512 371 HG3 LYS 42 HG3 LYS 42 -4.517 10.466 -0.777 372 HD2 LYS 42 HD2 LYS 42 -5.462 8.304 -1.615 373 HD3 LYS 42 HD3 LYS 42 -6.662 9.313 -0.797 374 HE2 LYS 42 HE2 LYS 42 -7.652 9.960 -2.902 375 HE3 LYS 42 HE3 LYS 42 -6.329 9.239 -3.815 376 HZ1 LYS 42 HZ1 LYS 42 -8.352 7.789 -2.194 377 HZ2 LYS 42 HZ2 LYS 42 -7.034 7.061 -2.959 378 HZ3 LYS 42 HZ3 LYS 42 -8.233 7.813 -3.882 379 H PHE 43 H PHE 43 -6.289 14.245 -0.308 380 HA PHE 43 HA PHE 43 -4.620 13.863 2.080 381 HB2 PHE 43 HB2 PHE 43 -4.242 16.164 0.983 382 HB3 PHE 43 HB3 PHE 43 -5.901 16.543 1.410 383 HD1 PHE 43 HD1 PHE 43 -6.484 16.191 4.009 384 HD2 PHE 43 HD2 PHE 43 -2.544 16.788 2.462 385 HE1 PHE 43 HE1 PHE 43 -5.734 16.970 6.209 386 HE2 PHE 43 HE2 PHE 43 -1.806 17.567 4.671 387 HZ PHE 43 HZ PHE 43 -3.398 17.659 6.543 388 H VAL 44 H VAL 44 -6.033 12.449 3.040 389 HA VAL 44 HA VAL 44 -8.906 12.931 3.005 390 HB VAL 44 HB VAL 44 -7.355 10.688 4.376 391 HG11 VAL 44 HG11 VAL 44 -9.531 9.500 4.426 392 HG12 VAL 44 HG12 VAL 44 -10.325 10.916 3.731 393 HG13 VAL 44 HG13 VAL 44 -9.608 11.008 5.342 394 HG21 VAL 44 HG21 VAL 44 -6.978 10.664 1.938 395 HG22 VAL 44 HG22 VAL 44 -8.718 10.723 1.647 396 HG23 VAL 44 HG23 VAL 44 -8.000 9.305 2.414 397 H PHE 45 H PHE 45 -10.037 13.854 4.587 398 HA PHE 45 HA PHE 45 -8.660 14.925 6.938 399 HB2 PHE 45 HB2 PHE 45 -11.440 15.502 5.824 400 HB3 PHE 45 HB3 PHE 45 -10.692 16.340 7.182 401 HD1 PHE 45 HD1 PHE 45 -8.449 17.544 6.732 402 HD2 PHE 45 HD2 PHE 45 -11.122 16.338 3.632 403 HE1 PHE 45 HE1 PHE 45 -7.394 19.135 5.196 404 HE2 PHE 45 HE2 PHE 45 -10.061 17.934 2.106 405 HZ PHE 45 HZ PHE 45 -8.196 19.333 2.881 406 H TYR 46 H TYR 46 -8.776 13.901 8.776 407 HA TYR 46 HA TYR 46 -10.733 11.807 9.360 408 HB2 TYR 46 HB2 TYR 46 -8.283 11.418 9.665 409 HB3 TYR 46 HB3 TYR 46 -8.208 12.733 10.814 410 HD1 TYR 46 HD1 TYR 46 -9.213 12.441 13.111 411 HD2 TYR 46 HD2 TYR 46 -9.034 9.213 10.320 412 HE1 TYR 46 HE1 TYR 46 -9.600 10.835 14.934 413 HE2 TYR 46 HE2 TYR 46 -9.405 7.621 12.135 414 HH TYR 46 HH TYR 46 -10.574 8.432 15.094 415 H GLN 47 H GLN 47 -12.182 11.944 11.131 416 HA GLN 47 HA GLN 47 -12.247 14.397 12.765 417 HB2 GLN 47 HB2 GLN 47 -13.838 14.764 10.885 418 HB3 GLN 47 HB3 GLN 47 -14.678 13.275 11.299 419 HG2 GLN 47 HG2 GLN 47 -15.328 14.255 13.480 420 HG3 GLN 47 HG3 GLN 47 -14.484 15.743 13.064 421 HE21 GLN 47 HE21 GLN 47 -16.501 13.846 10.835 422 HE22 GLN 47 HE22 GLN 47 -17.739 15.032 10.675 423 H SER 48 H SER 48 -12.398 13.871 14.821 424 HA SER 48 HA SER 48 -12.867 12.952 16.794 425 HB2 SER 48 HB2 SER 48 -15.133 11.515 15.365 426 HB3 SER 48 HB3 SER 48 -14.967 11.693 17.113 427 HG SER 48 HG SER 48 -16.017 13.394 15.345 428 H HIS 49 H HIS 49 -11.990 11.400 18.020 429 HA HIS 49 HA HIS 49 -10.234 9.548 16.821 430 HB2 HIS 49 HB2 HIS 49 -9.726 10.598 18.971 431 HB3 HIS 49 HB3 HIS 49 -11.121 9.831 19.724 432 HD1 HIS 49 HD1 HIS 49 -7.752 8.966 18.244 433 HD2 HIS 49 HD2 HIS 49 -10.635 7.300 20.729 434 HE1 HIS 49 HE1 HIS 49 -6.756 6.836 19.102 435 HE2 HIS 49 HE2 HIS 49 -8.421 5.968 20.774 436 H GLU 50 H GLU 50 -13.383 9.084 18.353 437 HA GLU 50 HA GLU 50 -13.255 6.153 17.885 438 HB2 GLU 50 HB2 GLU 50 -14.565 5.936 20.009 439 HB3 GLU 50 HB3 GLU 50 -12.962 6.631 20.247 440 HG2 GLU 50 HG2 GLU 50 -13.981 8.906 20.327 441 HG3 GLU 50 HG3 GLU 50 -15.579 8.176 20.164 442 H ASP 51 H ASP 51 -14.609 8.678 16.553 443 HA ASP 51 HA ASP 51 -17.169 7.404 15.938 444 HB2 ASP 51 HB2 ASP 51 -17.737 8.825 17.887 445 HB3 ASP 51 HB3 ASP 51 -16.978 10.217 17.123 446 H THR 52 H THR 52 -18.136 8.304 14.003 447 HA THR 52 HA THR 52 -18.140 8.953 11.857 448 HB THR 52 HB THR 52 -16.160 11.110 12.700 449 HG1 THR 52 HG1 THR 52 -17.962 11.529 13.821 450 HG21 THR 52 HG21 THR 52 -17.960 10.976 10.243 451 HG22 THR 52 HG22 THR 52 -16.198 10.842 10.239 452 HG23 THR 52 HG23 THR 52 -16.965 12.355 10.721 453 H GLY 53 H GLY 53 -14.715 9.605 12.627 454 HA2 GLY 53 HA2 GLY 53 -12.898 8.176 12.066 455 HA3 GLY 53 HA3 GLY 53 -13.849 7.496 10.749 456 H PHE 54 H PHE 54 -14.590 9.148 9.105 457 HA PHE 54 HA PHE 54 -12.523 11.210 8.598 458 HB2 PHE 54 HB2 PHE 54 -13.684 9.229 6.596 459 HB3 PHE 54 HB3 PHE 54 -12.678 10.602 6.160 460 HD1 PHE 54 HD1 PHE 54 -10.465 10.522 8.057 461 HD2 PHE 54 HD2 PHE 54 -12.465 7.274 6.136 462 HE1 PHE 54 HE1 PHE 54 -8.424 9.168 8.218 463 HE2 PHE 54 HE2 PHE 54 -10.416 5.925 6.293 464 HZ PHE 54 HZ PHE 54 -8.393 6.871 7.334 465 H VAL 55 H VAL 55 -13.337 13.152 8.192 466 HA VAL 55 HA VAL 55 -16.202 13.604 7.876 467 HB VAL 55 HB VAL 55 -15.080 15.047 9.445 468 HG11 VAL 55 HG11 VAL 55 -12.780 14.931 8.615 469 HG12 VAL 55 HG12 VAL 55 -13.260 16.608 8.874 470 HG13 VAL 55 HG13 VAL 55 -13.205 15.949 7.236 471 HG21 VAL 55 HG21 VAL 55 -16.892 16.112 8.179 472 HG22 VAL 55 HG22 VAL 55 -15.734 16.693 6.982 473 HG23 VAL 55 HG23 VAL 55 -15.665 17.293 8.642 474 H GLY 56 H GLY 56 -13.266 13.724 5.959 475 HA2 GLY 56 HA2 GLY 56 -14.671 13.727 3.483 476 HA3 GLY 56 HA3 GLY 56 -14.045 15.341 3.824 477 H GLU 57 H GLU 57 -12.869 14.918 1.827 478 HA GLU 57 HA GLU 57 -10.142 14.171 2.382 479 HB2 GLU 57 HB2 GLU 57 -9.821 12.651 0.518 480 HB3 GLU 57 HB3 GLU 57 -11.121 12.007 1.513 481 HG2 GLU 57 HG2 GLU 57 -12.781 12.850 -0.092 482 HG3 GLU 57 HG3 GLU 57 -11.490 13.534 -1.081 483 H ALA 58 H ALA 58 -8.863 14.661 0.184 484 HA ALA 58 HA ALA 58 -9.996 16.607 -1.611 485 HB1 ALA 58 HB1 ALA 58 -9.640 18.064 0.336 486 HB2 ALA 58 HB2 ALA 58 -8.516 18.487 -0.957 487 HB3 ALA 58 HB3 ALA 58 -7.955 17.552 0.433 488 H ARG 59 H ARG 59 -7.912 17.721 -2.765 489 HA ARG 59 HA ARG 59 -5.905 15.615 -3.275 490 HB2 ARG 59 HB2 ARG 59 -7.238 17.467 -5.295 491 HB3 ARG 59 HB3 ARG 59 -5.863 16.426 -5.663 492 HG2 ARG 59 HG2 ARG 59 -8.584 15.456 -4.715 493 HG3 ARG 59 HG3 ARG 59 -8.039 15.466 -6.397 494 HD2 ARG 59 HD2 ARG 59 -6.291 13.845 -5.871 495 HD3 ARG 59 HD3 ARG 59 -6.684 13.919 -4.151 496 HE ARG 59 HE ARG 59 -8.090 12.456 -6.227 497 HH11 ARG 59 HH11 ARG 59 -8.365 13.776 -2.987 498 HH12 ARG 59 HH12 ARG 59 -9.581 12.641 -2.501 499 HH21 ARG 59 HH21 ARG 59 -9.681 10.968 -5.559 500 HH22 ARG 59 HH22 ARG 59 -10.318 11.063 -3.944 501 H ILE 60 H ILE 60 -3.918 16.202 -3.069 502 HA ILE 60 HA ILE 60 -3.066 18.768 -2.184 503 HB ILE 60 HB ILE 60 -1.696 16.127 -2.775 504 HG12 ILE 60 HG12 ILE 60 -1.774 17.616 -0.130 505 HG13 ILE 60 HG13 ILE 60 -3.132 16.632 -0.632 506 HG21 ILE 60 HG21 ILE 60 0.448 17.034 -1.899 507 HG22 ILE 60 HG22 ILE 60 -0.246 18.656 -1.920 508 HG23 ILE 60 HG23 ILE 60 -0.026 17.773 -3.430 509 HD11 ILE 60 HD11 ILE 60 -1.718 14.657 -0.658 510 HD12 ILE 60 HD12 ILE 60 -1.636 15.470 0.904 511 HD13 ILE 60 HD13 ILE 60 -0.305 15.635 -0.241 512 H LYS 61 H LYS 61 -2.013 20.265 -3.230 513 HA LYS 61 HA LYS 61 -1.098 20.054 -5.994 514 HB2 LYS 61 HB2 LYS 61 -3.116 21.997 -4.855 515 HB3 LYS 61 HB3 LYS 61 -1.968 22.622 -6.026 516 HG2 LYS 61 HG2 LYS 61 -3.946 20.375 -6.486 517 HG3 LYS 61 HG3 LYS 61 -4.040 22.022 -7.118 518 HD2 LYS 61 HD2 LYS 61 -1.557 21.248 -8.049 519 HD3 LYS 61 HD3 LYS 61 -2.405 19.703 -8.054 520 HE2 LYS 61 HE2 LYS 61 -3.342 22.236 -9.437 521 HE3 LYS 61 HE3 LYS 61 -2.548 20.874 -10.227 522 HZ1 LYS 61 HZ1 LYS 61 -5.191 20.829 -8.878 523 HZ2 LYS 61 HZ2 LYS 61 -4.434 19.477 -9.548 524 HZ3 LYS 61 HZ3 LYS 61 -4.914 20.758 -10.542 525 H ARG 62 H ARG 62 -0.208 22.737 -6.154 526 HA ARG 62 HA ARG 62 2.384 22.480 -5.837 527 HB2 ARG 62 HB2 ARG 62 2.630 24.925 -5.908 528 HB3 ARG 62 HB3 ARG 62 1.294 24.411 -6.930 529 HG2 ARG 62 HG2 ARG 62 -0.256 25.040 -4.993 530 HG3 ARG 62 HG3 ARG 62 1.148 25.786 -4.231 531 HD2 ARG 62 HD2 ARG 62 -0.026 27.532 -5.335 532 HD3 ARG 62 HD3 ARG 62 1.388 27.196 -6.341 533 HE ARG 62 HE ARG 62 -0.728 25.639 -7.296 534 HH11 ARG 62 HH11 ARG 62 0.062 29.057 -7.059 535 HH12 ARG 62 HH12 ARG 62 -0.914 29.496 -8.418 536 HH21 ARG 62 HH21 ARG 62 -1.991 26.235 -9.070 537 HH22 ARG 62 HH22 ARG 62 -2.076 27.897 -9.558 538 H VAL 63 H VAL 63 3.652 21.833 -4.214 539 HA VAL 63 HA VAL 63 3.176 22.756 -1.467 540 HB VAL 63 HB VAL 63 4.893 21.080 -0.779 541 HG11 VAL 63 HG11 VAL 63 3.530 19.054 -1.233 542 HG12 VAL 63 HG12 VAL 63 2.651 19.932 -2.486 543 HG13 VAL 63 HG13 VAL 63 2.525 20.444 -0.803 544 HG21 VAL 63 HG21 VAL 63 4.979 20.251 -3.719 545 HG22 VAL 63 HG22 VAL 63 5.737 19.372 -2.388 546 HG23 VAL 63 HG23 VAL 63 6.303 20.987 -2.818 547 H VAL 64 H VAL 64 3.937 24.724 -1.120 548 HA VAL 64 HA VAL 64 6.187 25.815 -2.640 549 HB VAL 64 HB VAL 64 4.225 27.161 -0.727 550 HG11 VAL 64 HG11 VAL 64 6.293 28.448 -2.552 551 HG12 VAL 64 HG12 VAL 64 6.321 28.435 -0.786 552 HG13 VAL 64 HG13 VAL 64 5.055 29.317 -1.641 553 HG21 VAL 64 HG21 VAL 64 3.169 28.088 -2.761 554 HG22 VAL 64 HG22 VAL 64 3.105 26.325 -2.750 555 HG23 VAL 64 HG23 VAL 64 4.282 27.162 -3.769 556 H LEU 65 H LEU 65 8.128 25.443 -1.789 557 HA LEU 65 HA LEU 65 8.519 24.973 1.052 558 HB2 LEU 65 HB2 LEU 65 10.596 25.044 -1.178 559 HB3 LEU 65 HB3 LEU 65 10.797 24.353 0.428 560 HG LEU 65 HG LEU 65 8.941 23.286 -1.744 561 HD11 LEU 65 HD11 LEU 65 11.274 22.914 -2.316 562 HD12 LEU 65 HD12 LEU 65 10.487 21.394 -1.907 563 HD13 LEU 65 HD13 LEU 65 11.572 22.164 -0.745 564 HD21 LEU 65 HD21 LEU 65 8.603 21.342 -0.274 565 HD22 LEU 65 HD22 LEU 65 8.018 22.827 0.466 566 HD23 LEU 65 HD23 LEU 65 9.550 22.125 0.997 567 H SER 66 H SER 66 8.889 26.608 2.376 568 HA SER 66 HA SER 66 10.739 28.751 1.708 569 HB2 SER 66 HB2 SER 66 8.552 29.724 1.062 570 HB3 SER 66 HB3 SER 66 7.886 29.320 2.644 571 HG SER 66 HG SER 66 9.814 31.253 1.972 572 H GLU 67 H GLU 67 12.022 29.086 3.377 573 HA GLU 67 HA GLU 67 11.774 27.826 5.913 574 HB2 GLU 67 HB2 GLU 67 13.605 29.891 4.693 575 HB3 GLU 67 HB3 GLU 67 13.727 29.549 6.410 576 HG2 GLU 67 HG2 GLU 67 14.324 27.273 6.009 577 HG3 GLU 67 HG3 GLU 67 13.932 27.403 4.303 578 H ASN 68 H ASN 68 10.418 30.710 4.652 579 HA ASN 68 HA ASN 68 9.831 31.838 7.321 580 HB2 ASN 68 HB2 ASN 68 9.344 33.094 4.585 581 HB3 ASN 68 HB3 ASN 68 9.193 33.887 6.151 582 HD21 ASN 68 HD21 ASN 68 11.412 32.657 3.765 583 HD22 ASN 68 HD22 ASN 68 12.833 33.410 4.399 584 HA PRO 69 HA PRO 69 5.704 29.947 6.708 585 HB2 PRO 69 HB2 PRO 69 4.655 30.780 9.116 586 HB3 PRO 69 HB3 PRO 69 5.709 29.373 8.951 587 HG2 PRO 69 HG2 PRO 69 6.427 32.177 9.788 588 HG3 PRO 69 HG3 PRO 69 6.908 30.633 10.528 589 HD2 PRO 69 HD2 PRO 69 8.567 31.975 8.877 590 HD3 PRO 69 HD3 PRO 69 8.510 30.193 8.880 591 H MET 70 H MET 70 6.652 33.232 6.949 592 HA MET 70 HA MET 70 4.009 34.432 6.856 593 HB2 MET 70 HB2 MET 70 6.794 35.626 6.654 594 HB3 MET 70 HB3 MET 70 5.313 36.577 6.679 595 HG2 MET 70 HG2 MET 70 4.821 35.869 8.933 596 HG3 MET 70 HG3 MET 70 6.155 34.711 8.914 597 HE1 MET 70 HE1 MET 70 8.692 35.359 8.944 598 HE2 MET 70 HE2 MET 70 9.297 37.019 8.941 599 HE3 MET 70 HE3 MET 70 8.512 36.365 7.504 600 H GLN 71 H GLN 71 6.528 33.515 4.570 601 HA GLN 71 HA GLN 71 5.627 35.069 2.368 602 HB2 GLN 71 HB2 GLN 71 7.316 32.553 2.504 603 HB3 GLN 71 HB3 GLN 71 6.899 33.310 0.967 604 HG2 GLN 71 HG2 GLN 71 7.974 35.433 1.796 605 HG3 GLN 71 HG3 GLN 71 8.500 34.548 3.226 606 HE21 GLN 71 HE21 GLN 71 8.849 34.803 -0.276 607 HE22 GLN 71 HE22 GLN 71 10.381 34.007 -0.369 608 H PHE 72 H PHE 72 4.425 32.151 3.774 609 HA PHE 72 HA PHE 72 2.808 31.260 1.586 610 HB2 PHE 72 HB2 PHE 72 2.386 30.781 4.563 611 HB3 PHE 72 HB3 PHE 72 1.705 29.830 3.246 612 HD1 PHE 72 HD1 PHE 72 4.232 29.650 1.518 613 HD2 PHE 72 HD2 PHE 72 3.572 29.080 5.701 614 HE1 PHE 72 HE1 PHE 72 6.131 28.106 1.618 615 HE2 PHE 72 HE2 PHE 72 5.472 27.542 5.784 616 HZ PHE 72 HZ PHE 72 6.757 27.051 3.745 617 H PHE 73 H PHE 73 2.481 33.749 4.007 618 HA PHE 73 HA PHE 73 -0.402 33.986 3.690 619 HB2 PHE 73 HB2 PHE 73 1.489 35.682 5.361 620 HB3 PHE 73 HB3 PHE 73 -0.274 35.728 5.424 621 HD1 PHE 73 HD1 PHE 73 -0.994 32.855 5.392 622 HD2 PHE 73 HD2 PHE 73 2.150 34.875 7.464 623 HE1 PHE 73 HE1 PHE 73 -0.973 31.092 7.096 624 HE2 PHE 73 HE2 PHE 73 2.147 33.110 9.151 625 HZ PHE 73 HZ PHE 73 0.602 31.211 8.980 626 H GLU 74 H GLU 74 2.524 35.624 2.547 627 HA GLU 74 HA GLU 74 1.054 37.798 1.321 628 HB2 GLU 74 HB2 GLU 74 3.119 38.477 0.293 629 HB3 GLU 74 HB3 GLU 74 3.493 37.962 1.933 630 HG2 GLU 74 HG2 GLU 74 4.349 35.822 1.077 631 HG3 GLU 74 HG3 GLU 74 3.946 36.304 -0.569 632 H THR 75 H THR 75 1.959 34.544 0.387 633 HA THR 75 HA THR 75 1.300 34.894 -2.428 634 HB THR 75 HB THR 75 2.021 32.373 -0.870 635 HG1 THR 75 HG1 THR 75 3.639 34.101 -1.015 636 HG21 THR 75 HG21 THR 75 1.959 32.848 -3.876 637 HG22 THR 75 HG22 THR 75 0.872 31.789 -2.975 638 HG23 THR 75 HG23 THR 75 2.591 31.401 -3.086 639 H PHE 76 H PHE 76 -0.094 33.198 0.394 640 HA PHE 76 HA PHE 76 -2.578 32.630 -1.139 641 HB2 PHE 76 HB2 PHE 76 -1.408 31.063 1.204 642 HB3 PHE 76 HB3 PHE 76 -2.880 30.660 0.337 643 HD1 PHE 76 HD1 PHE 76 -2.587 30.287 -2.278 644 HD2 PHE 76 HD2 PHE 76 0.572 29.966 0.592 645 HE1 PHE 76 HE1 PHE 76 -1.321 28.851 -3.821 646 HE2 PHE 76 HE2 PHE 76 1.828 28.530 -0.957 647 HZ PHE 76 HZ PHE 76 0.883 27.970 -3.164 648 H GLY 77 H GLY 77 -1.529 32.841 2.300 649 HA2 GLY 77 HA2 GLY 77 -2.220 34.152 4.048 650 HA3 GLY 77 HA3 GLY 77 -3.116 35.149 2.919 651 H ASP 78 H ASP 78 -5.246 34.661 2.459 652 HA ASP 78 HA ASP 78 -6.743 33.549 4.631 653 HB2 ASP 78 HB2 ASP 78 -7.493 35.551 3.367 654 HB3 ASP 78 HB3 ASP 78 -7.674 34.573 1.915 655 H ARG 79 H ARG 79 -5.546 32.290 1.633 656 HA ARG 79 HA ARG 79 -7.282 30.024 1.417 657 HB2 ARG 79 HB2 ARG 79 -4.437 30.394 0.395 658 HB3 ARG 79 HB3 ARG 79 -5.528 29.098 -0.090 659 HG2 ARG 79 HG2 ARG 79 -5.980 32.060 -0.568 660 HG3 ARG 79 HG3 ARG 79 -5.400 30.904 -1.771 661 HD2 ARG 79 HD2 ARG 79 -7.502 29.715 -1.744 662 HD3 ARG 79 HD3 ARG 79 -8.081 30.649 -0.358 663 HE ARG 79 HE ARG 79 -7.651 32.590 -2.159 664 HH11 ARG 79 HH11 ARG 79 -9.293 29.514 -2.568 665 HH12 ARG 79 HH12 ARG 79 -10.490 30.153 -3.645 666 HH21 ARG 79 HH21 ARG 79 -9.237 33.424 -3.556 667 HH22 ARG 79 HH22 ARG 79 -10.454 32.379 -4.206 668 H VAL 80 H VAL 80 -4.244 30.653 3.155 669 HA VAL 80 HA VAL 80 -3.656 27.980 3.919 670 HB VAL 80 HB VAL 80 -2.896 30.508 5.458 671 HG11 VAL 80 HG11 VAL 80 -0.934 29.213 6.222 672 HG12 VAL 80 HG12 VAL 80 -1.525 27.793 5.355 673 HG13 VAL 80 HG13 VAL 80 -2.445 28.443 6.716 674 HG21 VAL 80 HG21 VAL 80 -2.243 30.781 3.104 675 HG22 VAL 80 HG22 VAL 80 -1.403 29.229 3.135 676 HG23 VAL 80 HG23 VAL 80 -0.814 30.571 4.121 677 H PHE 81 H PHE 81 -4.024 26.900 5.983 678 HA PHE 81 HA PHE 81 -6.680 27.154 6.894 679 HB2 PHE 81 HB2 PHE 81 -6.296 25.292 8.336 680 HB3 PHE 81 HB3 PHE 81 -5.384 25.009 6.865 681 HD1 PHE 81 HD1 PHE 81 -5.117 25.707 10.490 682 HD2 PHE 81 HD2 PHE 81 -2.948 24.853 6.910 683 HE1 PHE 81 HE1 PHE 81 -3.129 25.160 11.827 684 HE2 PHE 81 HE2 PHE 81 -0.968 24.293 8.257 685 HZ PHE 81 HZ PHE 81 -1.052 24.448 10.711 686 H LEU 82 H LEU 82 -3.893 28.802 7.945 687 HA LEU 82 HA LEU 82 -5.444 30.226 9.950 688 HB2 LEU 82 HB2 LEU 82 -3.817 30.109 11.650 689 HB3 LEU 82 HB3 LEU 82 -3.971 28.459 11.091 690 HG LEU 82 HG LEU 82 -1.658 30.347 10.439 691 HD11 LEU 82 HD11 LEU 82 -1.648 29.649 12.781 692 HD12 LEU 82 HD12 LEU 82 -0.307 28.922 11.902 693 HD13 LEU 82 HD13 LEU 82 -1.728 27.950 12.298 694 HD21 LEU 82 HD21 LEU 82 -0.522 28.408 9.457 695 HD22 LEU 82 HD22 LEU 82 -2.014 28.765 8.595 696 HD23 LEU 82 HD23 LEU 82 -1.954 27.408 9.721 697 H THR 83 H THR 83 -4.566 32.396 10.322 698 HA THR 83 HA THR 83 -3.023 33.449 8.034 699 HB THR 83 HB THR 83 -5.246 34.509 8.456 700 HG1 THR 83 HG1 THR 83 -4.383 36.712 8.535 701 HG21 THR 83 HG21 THR 83 -5.557 35.997 10.413 702 HG22 THR 83 HG22 THR 83 -4.025 35.434 11.086 703 HG23 THR 83 HG23 THR 83 -5.376 34.311 10.905 704 H LYS 84 H LYS 84 -1.809 35.625 8.947 705 HA LYS 84 HA LYS 84 0.475 34.663 10.258 706 HB2 LYS 84 HB2 LYS 84 0.422 36.577 8.663 707 HB3 LYS 84 HB3 LYS 84 -0.402 37.545 9.877 708 HG2 LYS 84 HG2 LYS 84 1.573 37.410 11.348 709 HG3 LYS 84 HG3 LYS 84 2.408 36.416 10.149 710 HD2 LYS 84 HD2 LYS 84 1.482 39.293 9.763 711 HD3 LYS 84 HD3 LYS 84 3.147 38.775 10.041 712 HE2 LYS 84 HE2 LYS 84 3.113 37.531 7.903 713 HE3 LYS 84 HE3 LYS 84 1.443 38.039 7.633 714 HZ1 LYS 84 HZ1 LYS 84 2.203 40.339 7.592 715 HZ2 LYS 84 HZ2 LYS 84 2.975 39.411 6.407 716 HZ3 LYS 84 HZ3 LYS 84 3.804 39.830 7.822 717 H ASP 85 H ASP 85 -2.322 36.448 11.481 718 HA ASP 85 HA ASP 85 -1.441 37.027 14.111 719 HB2 ASP 85 HB2 ASP 85 -4.279 36.443 13.129 720 HB3 ASP 85 HB3 ASP 85 -3.867 37.199 14.665 721 H GLU 86 H GLU 86 -3.175 34.257 12.753 722 HA GLU 86 HA GLU 86 -3.435 32.823 15.218 723 HB2 GLU 86 HB2 GLU 86 -3.673 31.727 12.390 724 HB3 GLU 86 HB3 GLU 86 -4.341 31.014 13.861 725 HG2 GLU 86 HG2 GLU 86 -5.790 33.032 14.115 726 HG3 GLU 86 HG3 GLU 86 -5.140 33.635 12.598 727 H LEU 87 H LEU 87 -0.988 33.029 12.741 728 HA LEU 87 HA LEU 87 0.524 30.698 13.421 729 HB2 LEU 87 HB2 LEU 87 0.851 31.733 11.230 730 HB3 LEU 87 HB3 LEU 87 1.298 33.260 11.975 731 HG LEU 87 HG LEU 87 3.294 31.976 13.017 732 HD11 LEU 87 HD11 LEU 87 2.638 29.962 10.867 733 HD12 LEU 87 HD12 LEU 87 2.546 29.710 12.614 734 HD13 LEU 87 HD13 LEU 87 4.104 30.009 11.852 735 HD21 LEU 87 HD21 LEU 87 3.484 33.658 11.190 736 HD22 LEU 87 HD22 LEU 87 3.411 32.333 10.023 737 HD23 LEU 87 HD23 LEU 87 4.735 32.418 11.181 738 H LYS 88 H LYS 88 0.843 34.177 14.263 739 HA LYS 88 HA LYS 88 3.272 33.839 15.699 740 HB2 LYS 88 HB2 LYS 88 2.908 36.222 16.478 741 HB3 LYS 88 HB3 LYS 88 2.929 35.982 14.744 742 HG2 LYS 88 HG2 LYS 88 1.168 37.454 14.929 743 HG3 LYS 88 HG3 LYS 88 0.316 35.929 14.979 744 HD2 LYS 88 HD2 LYS 88 -0.646 37.353 16.640 745 HD3 LYS 88 HD3 LYS 88 0.267 36.102 17.490 746 HE2 LYS 88 HE2 LYS 88 2.115 37.661 17.830 747 HE3 LYS 88 HE3 LYS 88 1.270 38.896 16.903 748 HZ1 LYS 88 HZ1 LYS 88 0.278 37.707 19.435 749 HZ2 LYS 88 HZ2 LYS 88 -0.442 38.968 18.567 750 HZ3 LYS 88 HZ3 LYS 88 1.059 39.205 19.312 751 H GLU 89 H GLU 89 -0.121 33.918 16.732 752 HA GLU 89 HA GLU 89 0.442 33.754 19.543 753 HB2 GLU 89 HB2 GLU 89 -1.922 33.287 19.860 754 HB3 GLU 89 HB3 GLU 89 -1.751 34.563 18.661 755 HG2 GLU 89 HG2 GLU 89 -2.157 32.925 16.861 756 HG3 GLU 89 HG3 GLU 89 -2.326 31.647 18.062 757 H TYR 90 H TYR 90 -0.004 31.385 16.947 758 HA TYR 90 HA TYR 90 -0.058 29.008 18.487 759 HB2 TYR 90 HB2 TYR 90 -0.746 28.935 16.172 760 HB3 TYR 90 HB3 TYR 90 0.792 29.576 15.622 761 HD1 TYR 90 HD1 TYR 90 -0.702 26.556 17.298 762 HD2 TYR 90 HD2 TYR 90 2.481 28.093 14.888 763 HE1 TYR 90 HE1 TYR 90 0.130 24.269 16.933 764 HE2 TYR 90 HE2 TYR 90 3.317 25.805 14.527 765 HH TYR 90 HH TYR 90 1.510 23.020 15.333 766 H MET 91 H MET 91 2.665 30.817 17.040 767 HA MET 91 HA MET 91 4.667 28.893 17.738 768 HB2 MET 91 HB2 MET 91 4.902 31.781 16.816 769 HB3 MET 91 HB3 MET 91 6.291 30.738 17.092 770 HG2 MET 91 HG2 MET 91 5.436 29.184 15.351 771 HG3 MET 91 HG3 MET 91 4.114 30.308 15.030 772 HE1 MET 91 HE1 MET 91 6.085 33.434 13.649 773 HE2 MET 91 HE2 MET 91 5.672 33.154 15.338 774 HE3 MET 91 HE3 MET 91 4.500 32.783 14.072 775 H LYS 92 H LYS 92 3.547 31.947 19.206 776 HA LYS 92 HA LYS 92 5.378 31.935 21.388 777 HB2 LYS 92 HB2 LYS 92 2.631 33.237 21.203 778 HB3 LYS 92 HB3 LYS 92 3.794 33.535 22.492 779 HG2 LYS 92 HG2 LYS 92 4.162 34.202 19.552 780 HG3 LYS 92 HG3 LYS 92 3.804 35.351 20.840 781 HD2 LYS 92 HD2 LYS 92 6.347 33.682 20.631 782 HD3 LYS 92 HD3 LYS 92 6.196 35.363 20.119 783 HE2 LYS 92 HE2 LYS 92 5.669 36.003 22.468 784 HE3 LYS 92 HE3 LYS 92 5.901 34.323 22.961 785 HZ1 LYS 92 HZ1 LYS 92 7.869 35.657 23.355 786 HZ2 LYS 92 HZ2 LYS 92 7.959 36.062 21.714 787 HZ3 LYS 92 HZ3 LYS 92 8.183 34.457 22.202 788 H SER 93 H SER 93 2.249 30.398 20.857 789 HA SER 93 HA SER 93 1.788 29.420 23.480 790 HB2 SER 93 HB2 SER 93 0.034 29.457 21.724 791 HB3 SER 93 HB3 SER 93 0.912 28.238 20.806 792 HG SER 93 HG SER 93 -0.744 27.960 22.959 793 H GLN 94 H GLN 94 3.705 28.198 20.759 794 HA GLN 94 HA GLN 94 4.188 25.596 21.888 795 HB2 GLN 94 HB2 GLN 94 5.469 27.036 19.533 796 HB3 GLN 94 HB3 GLN 94 5.833 25.369 19.973 797 HG2 GLN 94 HG2 GLN 94 3.130 26.433 19.101 798 HG3 GLN 94 HG3 GLN 94 4.241 25.492 18.112 799 HE21 GLN 94 HE21 GLN 94 1.455 24.971 18.998 800 HE22 GLN 94 HE22 GLN 94 1.494 23.413 19.741 801 H GLU 95 H GLU 95 5.562 28.616 22.640 802 HA GLU 95 HA GLU 95 8.006 27.312 23.725 803 HB2 GLU 95 HB2 GLU 95 9.037 29.560 23.769 804 HB3 GLU 95 HB3 GLU 95 8.535 29.103 22.149 805 HG2 GLU 95 HG2 GLU 95 6.425 30.483 22.565 806 HG3 GLU 95 HG3 GLU 95 7.229 31.106 24.002 807 H ARG 96 H ARG 96 5.019 28.837 24.618 808 HA ARG 96 HA ARG 96 5.942 29.271 27.399 809 HB2 ARG 96 HB2 ARG 96 3.939 30.579 27.751 810 HB3 ARG 96 HB3 ARG 96 4.716 31.129 26.272 811 HG2 ARG 96 HG2 ARG 96 3.071 29.889 24.930 812 HG3 ARG 96 HG3 ARG 96 2.303 29.288 26.399 813 HD2 ARG 96 HD2 ARG 96 2.485 32.208 25.567 814 HD3 ARG 96 HD3 ARG 96 1.057 31.174 25.409 815 HE ARG 96 HE ARG 96 2.296 31.792 28.031 816 HH11 ARG 96 HH11 ARG 96 -0.586 31.546 26.032 817 HH12 ARG 96 HH12 ARG 96 -1.659 31.930 27.339 818 HH21 ARG 96 HH21 ARG 96 0.882 32.276 29.731 819 HH22 ARG 96 HH22 ARG 96 -0.826 32.341 29.430 820 H TRP 97 H TRP 97 4.050 27.101 25.484 821 HA TRP 97 HA TRP 97 3.180 25.644 27.924 822 HB2 TRP 97 HB2 TRP 97 1.902 25.534 25.146 823 HB3 TRP 97 HB3 TRP 97 1.368 24.635 26.562 824 HD1 TRP 97 HD1 TRP 97 0.514 27.649 24.699 825 HE1 TRP 97 HE1 TRP 97 -0.938 29.244 26.097 826 HE3 TRP 97 HE3 TRP 97 1.241 25.583 29.341 827 HZ2 TRP 97 HZ2 TRP 97 -1.678 29.589 28.785 828 HZ3 TRP 97 HZ3 TRP 97 0.110 26.612 31.276 829 HH2 TRP 97 HH2 TRP 97 -1.320 28.577 30.996 830 H GLY 98 H GLY 98 4.075 25.197 24.497 831 HA2 GLY 98 HA2 GLY 98 4.901 22.439 24.872 832 HA3 GLY 98 HA3 GLY 98 4.971 23.384 23.390 833 H ARG 99 H ARG 99 7.061 22.994 22.769 834 HA ARG 99 HA ARG 99 9.220 24.261 24.247 835 HB2 ARG 99 HB2 ARG 99 9.086 22.010 25.292 836 HB3 ARG 99 HB3 ARG 99 9.254 21.257 23.712 837 HG2 ARG 99 HG2 ARG 99 11.538 22.158 23.508 838 HG3 ARG 99 HG3 ARG 99 11.366 22.976 25.067 839 HD2 ARG 99 HD2 ARG 99 11.078 20.784 26.179 840 HD3 ARG 99 HD3 ARG 99 11.261 19.971 24.620 841 HE ARG 99 HE ARG 99 13.539 21.459 24.857 842 HH11 ARG 99 HH11 ARG 99 12.021 19.049 26.917 843 HH12 ARG 99 HH12 ARG 99 13.525 18.473 27.554 844 HH21 ARG 99 HH21 ARG 99 15.499 20.707 25.700 845 HH22 ARG 99 HH22 ARG 99 15.508 19.424 26.867 846 H ARG 100 H ARG 100 9.748 25.550 22.535 847 HA ARG 100 HA ARG 100 10.057 24.500 19.835 848 HB2 ARG 100 HB2 ARG 100 10.635 27.260 20.993 849 HB3 ARG 100 HB3 ARG 100 10.810 26.843 19.291 850 HG2 ARG 100 HG2 ARG 100 8.387 26.334 19.184 851 HG3 ARG 100 HG3 ARG 100 8.228 26.793 20.879 852 HD2 ARG 100 HD2 ARG 100 7.496 28.628 19.476 853 HD3 ARG 100 HD3 ARG 100 8.990 29.093 20.293 854 HE ARG 100 HE ARG 100 9.651 28.005 17.800 855 HH11 ARG 100 HH11 ARG 100 8.055 30.872 19.059 856 HH12 ARG 100 HH12 ARG 100 8.479 31.844 17.687 857 HH21 ARG 100 HH21 ARG 100 10.217 29.296 16.028 858 HH22 ARG 100 HH22 ARG 100 9.708 30.951 15.975 859 H ARG 101 H ARG 101 12.284 26.393 21.912 860 HA ARG 101 HA ARG 101 14.521 26.523 22.075 861 HB2 ARG 101 HB2 ARG 101 14.198 24.279 23.144 862 HB3 ARG 101 HB3 ARG 101 14.487 23.508 21.597 863 HG2 ARG 101 HG2 ARG 101 16.600 25.269 22.874 864 HG3 ARG 101 HG3 ARG 101 16.407 23.592 23.370 865 HD2 ARG 101 HD2 ARG 101 16.816 22.882 21.019 866 HD3 ARG 101 HD3 ARG 101 17.079 24.570 20.576 867 HE ARG 101 HE ARG 101 18.786 23.603 22.706 868 HH11 ARG 101 HH11 ARG 101 18.485 24.060 19.230 869 HH12 ARG 101 HH12 ARG 101 20.182 23.850 18.939 870 HH21 ARG 101 HH21 ARG 101 20.991 23.323 22.298 871 HH22 ARG 101 HH22 ARG 101 21.596 23.411 20.677 872 H GLU 102 H GLU 102 14.753 27.828 20.286 873 HA GLU 102 HA GLU 102 16.706 27.028 18.428 874 HB2 GLU 102 HB2 GLU 102 14.711 25.983 17.281 875 HB3 GLU 102 HB3 GLU 102 13.983 27.576 17.142 876 HG2 GLU 102 HG2 GLU 102 15.018 26.871 15.035 877 HG3 GLU 102 HG3 GLU 102 15.802 28.313 15.678 878 H SER 103 H SER 103 17.729 28.795 17.612 879 HA SER 103 HA SER 103 16.534 31.413 17.391 880 HB2 SER 103 HB2 SER 103 18.163 32.491 19.005 881 HB3 SER 103 HB3 SER 103 16.960 31.465 19.786 882 HG SER 103 HG SER 103 18.774 30.762 20.688 883 H LYS 104 H LYS 104 18.736 29.104 16.472 884 HA LYS 104 HA LYS 104 20.794 30.884 15.390 885 HB2 LYS 104 HB2 LYS 104 20.598 27.852 15.430 886 HB3 LYS 104 HB3 LYS 104 21.949 28.775 14.766 887 HG2 LYS 104 HG2 LYS 104 22.091 29.839 17.152 888 HG3 LYS 104 HG3 LYS 104 21.103 28.458 17.650 889 HD2 LYS 104 HD2 LYS 104 22.818 26.923 16.744 890 HD3 LYS 104 HD3 LYS 104 23.783 28.312 16.236 891 HE2 LYS 104 HE2 LYS 104 23.998 28.996 18.619 892 HE3 LYS 104 HE3 LYS 104 23.087 27.562 19.098 893 HZ1 LYS 104 HZ1 LYS 104 25.438 27.181 19.334 894 HZ2 LYS 104 HZ2 LYS 104 25.719 27.597 17.716 895 HZ3 LYS 104 HZ3 LYS 104 24.838 26.203 18.092 896 H LYS 105 H LYS 105 18.637 28.268 14.172 897 HA LYS 105 HA LYS 105 18.603 29.531 11.508 898 HB2 LYS 105 HB2 LYS 105 20.404 27.825 11.567 899 HB3 LYS 105 HB3 LYS 105 19.240 26.601 12.070 900 HG2 LYS 105 HG2 LYS 105 18.089 26.761 9.918 901 HG3 LYS 105 HG3 LYS 105 19.141 28.092 9.428 902 HD2 LYS 105 HD2 LYS 105 19.944 26.065 8.373 903 HD3 LYS 105 HD3 LYS 105 21.108 26.566 9.600 904 HE2 LYS 105 HE2 LYS 105 20.196 24.861 11.152 905 HE3 LYS 105 HE3 LYS 105 19.041 24.357 9.914 906 HZ1 LYS 105 HZ1 LYS 105 20.944 23.777 8.491 907 HZ2 LYS 105 HZ2 LYS 105 20.915 22.885 9.926 908 HZ3 LYS 105 HZ3 LYS 105 21.999 24.170 9.754 909 H LYS 106 H LYS 106 16.571 29.791 10.892 910 HA LYS 106 HA LYS 106 14.266 28.666 12.050 911 HB2 LYS 106 HB2 LYS 106 12.998 29.766 10.316 912 HB3 LYS 106 HB3 LYS 106 14.332 30.831 10.733 913 HG2 LYS 106 HG2 LYS 106 14.377 28.974 8.333 914 HG3 LYS 106 HG3 LYS 106 13.769 30.619 8.246 915 HD2 LYS 106 HD2 LYS 106 16.604 29.879 9.080 916 HD3 LYS 106 HD3 LYS 106 16.134 30.313 7.435 917 HE2 LYS 106 HE2 LYS 106 15.523 32.547 8.130 918 HE3 LYS 106 HE3 LYS 106 15.753 32.139 9.833 919 HZ1 LYS 106 HZ1 LYS 106 17.914 32.070 7.809 920 HZ2 LYS 106 HZ2 LYS 106 18.074 31.902 9.485 921 HZ3 LYS 106 HZ3 LYS 106 17.606 33.385 8.823 922 H LYS 107 H LYS 107 12.648 27.307 11.012 923 HA LYS 107 HA LYS 107 13.795 24.891 9.833 924 HB2 LYS 107 HB2 LYS 107 11.856 25.280 11.754 925 HB3 LYS 107 HB3 LYS 107 10.831 25.085 10.345 926 HG2 LYS 107 HG2 LYS 107 12.923 23.084 11.264 927 HG3 LYS 107 HG3 LYS 107 11.203 22.982 11.644 928 HD2 LYS 107 HD2 LYS 107 10.623 22.579 9.353 929 HD3 LYS 107 HD3 LYS 107 12.233 23.034 8.785 930 HE2 LYS 107 HE2 LYS 107 11.955 20.609 8.716 931 HE3 LYS 107 HE3 LYS 107 13.193 21.067 9.886 932 HZ1 LYS 107 HZ1 LYS 107 11.505 20.802 11.645 933 HZ2 LYS 107 HZ2 LYS 107 11.807 19.363 10.814 934 HZ3 LYS 107 HZ3 LYS 107 10.401 20.249 10.492 935 H LEU 108 H LEU 108 13.291 24.100 7.780 936 HA LEU 108 HA LEU 108 12.133 25.828 5.776 937 HB2 LEU 108 HB2 LEU 108 13.993 24.122 5.347 938 HB3 LEU 108 HB3 LEU 108 12.804 22.857 5.528 939 HG LEU 108 HG LEU 108 13.441 23.375 3.148 940 HD11 LEU 108 HD11 LEU 108 10.503 23.810 3.688 941 HD12 LEU 108 HD12 LEU 108 11.325 22.249 3.595 942 HD13 LEU 108 HD13 LEU 108 11.236 23.279 2.168 943 HD21 LEU 108 HD21 LEU 108 13.715 25.791 3.325 944 HD22 LEU 108 HD22 LEU 108 11.978 25.992 3.573 945 HD23 LEU 108 HD23 LEU 108 12.588 25.373 2.036 946 H TRP 109 H TRP 109 10.014 26.205 5.993 947 HA TRP 109 HA TRP 109 8.088 24.092 6.631 948 HB2 TRP 109 HB2 TRP 109 7.780 27.090 6.200 949 HB3 TRP 109 HB3 TRP 109 6.416 26.010 6.448 950 HD1 TRP 109 HD1 TRP 109 9.738 26.205 8.472 951 HE1 TRP 109 HE1 TRP 109 9.144 26.638 10.928 952 HE3 TRP 109 HE3 TRP 109 4.663 26.619 8.024 953 HZ2 TRP 109 HZ2 TRP 109 6.857 27.107 12.483 954 HZ3 TRP 109 HZ3 TRP 109 3.337 27.073 10.055 955 HH2 TRP 109 HH2 TRP 109 4.416 27.324 12.248 956 H MET 110 H MET 110 6.164 23.938 5.219 957 HA MET 110 HA MET 110 6.568 24.452 2.376 958 HB2 MET 110 HB2 MET 110 5.887 22.013 1.900 959 HB3 MET 110 HB3 MET 110 7.525 22.272 2.475 960 HG2 MET 110 HG2 MET 110 6.954 21.491 4.681 961 HG3 MET 110 HG3 MET 110 5.244 21.397 4.258 962 HE1 MET 110 HE1 MET 110 4.170 19.519 2.817 963 HE2 MET 110 HE2 MET 110 5.091 18.360 1.853 964 HE3 MET 110 HE3 MET 110 5.135 20.077 1.442 965 H ALA 111 H ALA 111 4.721 25.004 1.419 966 HA ALA 111 HA ALA 111 2.217 24.922 2.969 967 HB1 ALA 111 HB1 ALA 111 3.081 26.665 0.630 968 HB2 ALA 111 HB2 ALA 111 2.963 27.146 2.323 969 HB3 ALA 111 HB3 ALA 111 1.505 26.740 1.426 970 H ILE 112 H ILE 112 1.296 23.006 2.467 971 HA ILE 112 HA ILE 112 1.232 21.888 -0.211 972 HB ILE 112 HB ILE 112 -0.442 21.061 2.206 973 HG12 ILE 112 HG12 ILE 112 2.294 19.919 1.482 974 HG13 ILE 112 HG13 ILE 112 1.994 21.053 2.799 975 HG21 ILE 112 HG21 ILE 112 0.379 19.458 -0.236 976 HG22 ILE 112 HG22 ILE 112 -1.222 20.129 0.081 977 HG23 ILE 112 HG23 ILE 112 -0.579 18.859 1.120 978 HD11 ILE 112 HD11 ILE 112 0.534 19.414 3.887 979 HD12 ILE 112 HD12 ILE 112 2.162 18.784 3.633 980 HD13 ILE 112 HD13 ILE 112 0.845 18.267 2.580 981 H GLU 113 H GLU 113 -0.167 22.788 -1.724 982 HA GLU 113 HA GLU 113 -2.472 24.334 -0.848 983 HB2 GLU 113 HB2 GLU 113 -1.216 25.054 -2.852 984 HB3 GLU 113 HB3 GLU 113 -1.600 23.543 -3.664 985 HG2 GLU 113 HG2 GLU 113 -3.970 24.123 -3.734 986 HG3 GLU 113 HG3 GLU 113 -3.677 25.567 -2.771 987 H LEU 114 H LEU 114 -4.594 23.711 -0.993 988 HA LEU 114 HA LEU 114 -5.172 20.870 -1.515 989 HB2 LEU 114 HB2 LEU 114 -5.860 22.593 0.850 990 HB3 LEU 114 HB3 LEU 114 -7.102 21.484 0.312 991 HG LEU 114 HG LEU 114 -5.864 20.456 2.119 992 HD11 LEU 114 HD11 LEU 114 -6.661 18.979 0.386 993 HD12 LEU 114 HD12 LEU 114 -5.151 18.380 1.049 994 HD13 LEU 114 HD13 LEU 114 -5.162 19.170 -0.528 995 HD21 LEU 114 HD21 LEU 114 -3.733 21.654 1.970 996 HD22 LEU 114 HD22 LEU 114 -3.334 20.798 0.477 997 HD23 LEU 114 HD23 LEU 114 -3.466 19.907 1.995 998 H GLU 115 H GLU 115 -6.779 20.453 -2.828 999 HA GLU 115 HA GLU 115 -8.731 22.505 -3.667 1000 HB2 GLU 115 HB2 GLU 115 -8.412 21.900 -6.026 1001 HB3 GLU 115 HB3 GLU 115 -6.870 22.438 -5.362 1002 HG2 GLU 115 HG2 GLU 115 -5.985 20.241 -5.315 1003 HG3 GLU 115 HG3 GLU 115 -7.572 19.495 -5.470 1004 H ASP 116 H ASP 116 -10.553 21.510 -4.856 1005 HA ASP 116 HA ASP 116 -12.229 20.016 -5.235 1006 HB2 ASP 116 HB2 ASP 116 -10.332 19.145 -6.695 1007 HB3 ASP 116 HB3 ASP 116 -9.943 17.995 -5.425 1008 H VAL 117 H VAL 117 -11.764 20.564 -2.537 1009 HA VAL 117 HA VAL 117 -11.433 18.326 -0.867 1010 HB VAL 117 HB VAL 117 -12.768 20.994 -0.228 1011 HG11 VAL 117 HG11 VAL 117 -12.322 20.449 2.151 1012 HG12 VAL 117 HG12 VAL 117 -11.747 18.849 1.672 1013 HG13 VAL 117 HG13 VAL 117 -13.435 19.292 1.417 1014 HG21 VAL 117 HG21 VAL 117 -9.905 20.057 0.256 1015 HG22 VAL 117 HG22 VAL 117 -10.579 21.614 0.740 1016 HG23 VAL 117 HG23 VAL 117 -10.413 21.222 -0.970 1017 H LYS 118 H LYS 118 -12.671 16.628 -0.997 1018 HA LYS 118 HA LYS 118 -15.491 16.740 -1.698 1019 HB2 LYS 118 HB2 LYS 118 -13.524 15.094 -2.545 1020 HB3 LYS 118 HB3 LYS 118 -14.044 14.144 -1.169 1021 HG2 LYS 118 HG2 LYS 118 -15.203 13.327 -3.110 1022 HG3 LYS 118 HG3 LYS 118 -16.378 14.178 -2.097 1023 HD2 LYS 118 HD2 LYS 118 -16.662 14.738 -4.501 1024 HD3 LYS 118 HD3 LYS 118 -16.248 16.163 -3.537 1025 HE2 LYS 118 HE2 LYS 118 -13.869 15.919 -4.260 1026 HE3 LYS 118 HE3 LYS 118 -14.328 14.549 -5.272 1027 HZ1 LYS 118 HZ1 LYS 118 -14.135 16.612 -6.514 1028 HZ2 LYS 118 HZ2 LYS 118 -15.348 17.321 -5.569 1029 HZ3 LYS 118 HZ3 LYS 118 -15.714 16.007 -6.571 1030 H LYS 119 H LYS 119 -16.817 17.107 -0.015 1031 HA LYS 119 HA LYS 119 -16.347 16.176 2.678 1032 HB2 LYS 119 HB2 LYS 119 -18.425 17.797 1.283 1033 HB3 LYS 119 HB3 LYS 119 -19.061 16.832 2.601 1034 HG2 LYS 119 HG2 LYS 119 -16.737 18.763 2.885 1035 HG3 LYS 119 HG3 LYS 119 -18.417 19.182 3.227 1036 HD2 LYS 119 HD2 LYS 119 -16.691 17.123 4.674 1037 HD3 LYS 119 HD3 LYS 119 -17.310 18.643 5.321 1038 HE2 LYS 119 HE2 LYS 119 -19.666 17.607 4.865 1039 HE3 LYS 119 HE3 LYS 119 -18.802 16.078 4.753 1040 HZ1 LYS 119 HZ1 LYS 119 -18.042 16.329 6.977 1041 HZ2 LYS 119 HZ2 LYS 119 -19.716 16.559 6.970 1042 HZ3 LYS 119 HZ3 LYS 119 -18.680 17.892 7.095 1043 H TYR 120 H TYR 120 -16.860 14.223 3.505 1044 HA TYR 120 HA TYR 120 -18.270 12.232 1.961 1045 HB2 TYR 120 HB2 TYR 120 -17.199 12.174 4.814 1046 HB3 TYR 120 HB3 TYR 120 -17.986 10.800 4.031 1047 HD1 TYR 120 HD1 TYR 120 -16.547 11.529 1.222 1048 HD2 TYR 120 HD2 TYR 120 -15.186 10.809 5.211 1049 HE1 TYR 120 HE1 TYR 120 -14.399 10.722 0.353 1050 HE2 TYR 120 HE2 TYR 120 -13.041 10.013 4.327 1051 HH TYR 120 HH TYR 120 -12.103 10.403 1.071 1052 H ASP 121 H ASP 121 -20.375 12.128 1.835 1053 HA ASP 121 HA ASP 121 -22.301 13.497 3.356 1054 HB2 ASP 121 HB2 ASP 121 -22.709 12.605 1.071 1055 HB3 ASP 121 HB3 ASP 121 -22.586 10.961 1.676 1056 H LYS 122 H LYS 122 -20.776 10.405 3.743 1057 HA LYS 122 HA LYS 122 -22.443 9.671 6.056 1058 HB2 LYS 122 HB2 LYS 122 -21.910 7.310 5.397 1059 HB3 LYS 122 HB3 LYS 122 -22.819 8.182 4.167 1060 HG2 LYS 122 HG2 LYS 122 -20.550 8.629 3.027 1061 HG3 LYS 122 HG3 LYS 122 -19.880 7.427 4.131 1062 HD2 LYS 122 HD2 LYS 122 -20.389 6.361 2.021 1063 HD3 LYS 122 HD3 LYS 122 -21.516 5.761 3.243 1064 HE2 LYS 122 HE2 LYS 122 -23.253 7.312 2.384 1065 HE3 LYS 122 HE3 LYS 122 -22.120 7.908 1.169 1066 HZ1 LYS 122 HZ1 LYS 122 -22.037 5.684 0.226 1067 HZ2 LYS 122 HZ2 LYS 122 -23.619 6.281 0.242 1068 HZ3 LYS 122 HZ3 LYS 122 -23.138 5.127 1.383 1069 HA PRO 123 HA PRO 123 -18.582 9.610 8.467 1070 HB2 PRO 123 HB2 PRO 123 -19.847 7.437 10.079 1071 HB3 PRO 123 HB3 PRO 123 -19.301 9.037 10.590 1072 HG2 PRO 123 HG2 PRO 123 -21.924 8.436 10.390 1073 HG3 PRO 123 HG3 PRO 123 -21.304 10.059 10.020 1074 HD2 PRO 123 HD2 PRO 123 -22.089 7.856 8.105 1075 HD3 PRO 123 HD3 PRO 123 -22.395 9.603 8.014 1076 H ILE 124 H ILE 124 -17.154 8.695 6.931 1077 HA ILE 124 HA ILE 124 -17.070 5.813 6.505 1078 HB ILE 124 HB ILE 124 -15.225 8.035 5.517 1079 HG12 ILE 124 HG12 ILE 124 -17.446 6.418 4.186 1080 HG13 ILE 124 HG13 ILE 124 -17.417 8.154 4.476 1081 HG21 ILE 124 HG21 ILE 124 -15.126 5.075 4.792 1082 HG22 ILE 124 HG22 ILE 124 -13.916 5.955 5.728 1083 HG23 ILE 124 HG23 ILE 124 -14.174 6.353 4.031 1084 HD11 ILE 124 HD11 ILE 124 -15.687 6.632 2.534 1085 HD12 ILE 124 HD12 ILE 124 -15.613 8.372 2.826 1086 HD13 ILE 124 HD13 ILE 124 -17.072 7.653 2.149 1087 H LYS 125 H LYS 125 -16.186 4.508 7.918 1088 HA LYS 125 HA LYS 125 -14.645 5.426 10.151 1089 HB2 LYS 125 HB2 LYS 125 -14.803 3.243 11.054 1090 HB3 LYS 125 HB3 LYS 125 -16.311 3.454 10.182 1091 HG2 LYS 125 HG2 LYS 125 -13.902 1.912 9.168 1092 HG3 LYS 125 HG3 LYS 125 -15.316 1.191 9.936 1093 HD2 LYS 125 HD2 LYS 125 -16.735 1.779 8.088 1094 HD3 LYS 125 HD3 LYS 125 -15.503 2.833 7.384 1095 HE2 LYS 125 HE2 LYS 125 -14.083 0.887 6.926 1096 HE3 LYS 125 HE3 LYS 125 -15.280 -0.178 7.668 1097 HZ1 LYS 125 HZ1 LYS 125 -15.687 1.470 5.232 1098 HZ2 LYS 125 HZ2 LYS 125 -16.853 0.476 5.949 1099 HZ3 LYS 125 HZ3 LYS 125 -15.461 -0.207 5.276 1100 HA PRO 126 HA PRO 126 -10.631 4.739 8.258 1101 HB2 PRO 126 HB2 PRO 126 -9.007 5.102 10.374 1102 HB3 PRO 126 HB3 PRO 126 -9.993 6.422 9.733 1103 HG2 PRO 126 HG2 PRO 126 -10.407 4.776 12.198 1104 HG3 PRO 126 HG3 PRO 126 -10.789 6.485 11.897 1105 HD2 PRO 126 HD2 PRO 126 -12.606 4.298 11.760 1106 HD3 PRO 126 HD3 PRO 126 -12.904 5.960 11.217 1107 H LYS 127 H LYS 127 -8.994 3.206 8.004 1108 HA LYS 127 HA LYS 127 -9.456 0.542 8.970 1109 HB2 LYS 127 HB2 LYS 127 -8.534 1.014 6.700 1110 HB3 LYS 127 HB3 LYS 127 -7.070 1.661 7.428 1111 HG2 LYS 127 HG2 LYS 127 -6.708 -0.622 6.609 1112 HG3 LYS 127 HG3 LYS 127 -6.530 -0.548 8.365 1113 HD2 LYS 127 HD2 LYS 127 -8.868 -1.431 8.597 1114 HD3 LYS 127 HD3 LYS 127 -8.959 -1.581 6.840 1115 HE2 LYS 127 HE2 LYS 127 -8.449 -3.746 7.865 1116 HE3 LYS 127 HE3 LYS 127 -7.080 -3.197 6.897 1117 HZ1 LYS 127 HZ1 LYS 127 -7.269 -2.853 9.845 1118 HZ2 LYS 127 HZ2 LYS 127 -5.924 -2.542 8.864 1119 HZ3 LYS 127 HZ3 LYS 127 -6.460 -4.130 9.085 1120 H ARG 128 H ARG 128 -7.609 3.236 10.037 1121 HA ARG 128 HA ARG 128 -6.662 1.844 12.412 1122 HB2 ARG 128 HB2 ARG 128 -4.333 2.514 12.142 1123 HB3 ARG 128 HB3 ARG 128 -4.814 1.597 10.717 1124 HG2 ARG 128 HG2 ARG 128 -5.160 3.785 9.504 1125 HG3 ARG 128 HG3 ARG 128 -4.511 4.613 10.926 1126 HD2 ARG 128 HD2 ARG 128 -3.045 2.609 9.174 1127 HD3 ARG 128 HD3 ARG 128 -2.775 4.352 9.228 1128 HE ARG 128 HE ARG 128 -2.209 3.900 11.688 1129 HH11 ARG 128 HH11 ARG 128 -1.434 1.657 9.091 1130 HH12 ARG 128 HH12 ARG 128 -0.070 0.996 9.925 1131 HH21 ARG 128 HH21 ARG 128 -0.455 3.019 12.765 1132 HH22 ARG 128 HH22 ARG 128 0.492 1.771 12.018 1133 H LEU 129 H LEU 129 -5.904 3.389 14.031 1134 HA LEU 129 HA LEU 129 -7.462 5.814 14.056 1135 HB2 LEU 129 HB2 LEU 129 -6.757 6.170 16.324 1136 HB3 LEU 129 HB3 LEU 129 -7.163 4.478 16.146 1137 HG LEU 129 HG LEU 129 -4.297 5.516 16.191 1138 HD11 LEU 129 HD11 LEU 129 -5.892 4.360 18.498 1139 HD12 LEU 129 HD12 LEU 129 -5.362 6.035 18.325 1140 HD13 LEU 129 HD13 LEU 129 -4.168 4.754 18.518 1141 HD21 LEU 129 HD21 LEU 129 -4.466 3.344 15.120 1142 HD22 LEU 129 HD22 LEU 129 -5.394 2.701 16.477 1143 HD23 LEU 129 HD23 LEU 129 -3.705 3.168 16.700 1144 H VAL 130 H VAL 130 -6.820 7.690 13.235 1145 HA VAL 130 HA VAL 130 -4.005 8.125 12.514 1146 HB VAL 130 HB VAL 130 -6.453 9.777 11.747 1147 HG11 VAL 130 HG11 VAL 130 -5.003 10.807 10.020 1148 HG12 VAL 130 HG12 VAL 130 -3.619 9.896 10.634 1149 HG13 VAL 130 HG13 VAL 130 -4.391 11.118 11.649 1150 HG21 VAL 130 HG21 VAL 130 -6.310 8.696 9.522 1151 HG22 VAL 130 HG22 VAL 130 -6.607 7.507 10.793 1152 HG23 VAL 130 HG23 VAL 130 -4.992 7.669 10.099 1153 HA PRO 131 HA PRO 131 -3.909 10.769 16.271 1154 HB2 PRO 131 HB2 PRO 131 -1.232 10.822 16.605 1155 HB3 PRO 131 HB3 PRO 131 -2.160 9.355 16.954 1156 HG2 PRO 131 HG2 PRO 131 -0.579 10.047 14.472 1157 HG3 PRO 131 HG3 PRO 131 -0.569 8.540 15.413 1158 HD2 PRO 131 HD2 PRO 131 -2.053 8.854 13.127 1159 HD3 PRO 131 HD3 PRO 131 -2.543 7.774 14.451 1160 H VAL 132 H VAL 132 -2.444 12.800 16.751 1161 HA VAL 132 HA VAL 132 -3.173 14.837 14.956 1162 HB VAL 132 HB VAL 132 -1.104 14.956 17.205 1163 HG11 VAL 132 HG11 VAL 132 -0.831 16.890 15.707 1164 HG12 VAL 132 HG12 VAL 132 -1.515 17.411 17.246 1165 HG13 VAL 132 HG13 VAL 132 -2.553 17.256 15.826 1166 HG21 VAL 132 HG21 VAL 132 -3.325 14.207 17.997 1167 HG22 VAL 132 HG22 VAL 132 -4.081 15.623 17.264 1168 HG23 VAL 132 HG23 VAL 132 -2.957 15.820 18.612 1169 H GLY 133 H GLY 133 -0.182 13.044 15.269 1170 HA2 GLY 133 HA2 GLY 133 1.490 14.613 13.580 1171 HA3 GLY 133 HA3 GLY 133 1.749 12.939 14.053 1172 H GLY 134 H GLY 134 -1.061 12.394 12.877 1173 HA2 GLY 134 HA2 GLY 134 -2.097 11.942 10.887 1174 HA3 GLY 134 HA3 GLY 134 -0.869 12.863 10.042 1175 H GLN 135 H GLN 135 -1.920 10.476 9.047 1176 HA GLN 135 HA GLN 135 0.354 8.566 9.240 1177 HB2 GLN 135 HB2 GLN 135 -2.559 7.951 8.538 1178 HB3 GLN 135 HB3 GLN 135 -1.248 6.775 8.569 1179 HG2 GLN 135 HG2 GLN 135 -2.262 8.310 10.973 1180 HG3 GLN 135 HG3 GLN 135 -2.741 6.669 10.553 1181 HE21 GLN 135 HE21 GLN 135 -0.169 8.677 11.807 1182 HE22 GLN 135 HE22 GLN 135 0.811 7.390 12.398 1183 H TYR 136 H TYR 136 1.345 8.025 7.337 1184 HA TYR 136 HA TYR 136 0.623 9.395 4.888 1185 HB2 TYR 136 HB2 TYR 136 3.013 7.980 5.859 1186 HB3 TYR 136 HB3 TYR 136 2.621 7.485 4.220 1187 HD1 TYR 136 HD1 TYR 136 1.650 9.901 2.910 1188 HD2 TYR 136 HD2 TYR 136 4.833 9.509 5.746 1189 HE1 TYR 136 HE1 TYR 136 2.722 11.920 1.995 1190 HE2 TYR 136 HE2 TYR 136 5.891 11.529 4.829 1191 HH TYR 136 HH TYR 136 5.924 12.816 2.759 1192 H LEU 137 H LEU 137 -1.079 8.699 3.830 1193 HA LEU 137 HA LEU 137 -2.022 5.963 3.914 1194 HB2 LEU 137 HB2 LEU 137 -3.346 8.325 3.704 1195 HB3 LEU 137 HB3 LEU 137 -3.178 7.985 1.995 1196 HG LEU 137 HG LEU 137 -4.688 6.348 4.070 1197 HD11 LEU 137 HD11 LEU 137 -5.659 7.796 1.593 1198 HD12 LEU 137 HD12 LEU 137 -5.871 8.319 3.266 1199 HD13 LEU 137 HD13 LEU 137 -6.656 6.847 2.702 1200 HD21 LEU 137 HD21 LEU 137 -5.338 4.776 2.276 1201 HD22 LEU 137 HD22 LEU 137 -3.607 4.729 2.596 1202 HD23 LEU 137 HD23 LEU 137 -4.214 5.571 1.169 1203 H ARG 138 H ARG 138 -1.010 4.497 2.652 1204 HA ARG 138 HA ARG 138 -0.162 5.244 -0.089 1205 HB2 ARG 138 HB2 ARG 138 1.556 3.632 -0.025 1206 HB3 ARG 138 HB3 ARG 138 1.591 4.278 1.604 1207 HG2 ARG 138 HG2 ARG 138 0.363 1.630 0.758 1208 HG3 ARG 138 HG3 ARG 138 1.917 1.841 1.560 1209 HD2 ARG 138 HD2 ARG 138 0.850 2.561 3.594 1210 HD3 ARG 138 HD3 ARG 138 -0.727 2.672 2.804 1211 HE ARG 138 HE ARG 138 0.662 0.245 3.650 1212 HH11 ARG 138 HH11 ARG 138 -2.165 1.618 2.063 1213 HH12 ARG 138 HH12 ARG 138 -3.007 0.109 2.013 1214 HH21 ARG 138 HH21 ARG 138 -0.473 -1.712 3.581 1215 HH22 ARG 138 HH22 ARG 138 -2.055 -1.759 2.875 1216 H GLU 139 H GLU 139 -0.900 3.928 -1.868 1217 HA GLU 139 HA GLU 139 -2.216 1.429 -1.334 1218 HB2 GLU 139 HB2 GLU 139 -4.037 3.146 -0.800 1219 HB3 GLU 139 HB3 GLU 139 -4.000 3.605 -2.496 1220 HG2 GLU 139 HG2 GLU 139 -5.842 2.050 -2.010 1221 HG3 GLU 139 HG3 GLU 139 -4.700 1.389 -3.176 Start of MODEL 15 1 H MET 1 H MET 1 -0.595 -0.962 1.118 2 HA MET 1 HA MET 1 1.721 -1.223 0.509 3 HB2 MET 1 HB2 MET 1 -0.158 -2.204 -0.820 4 HB3 MET 1 HB3 MET 1 -0.144 -0.791 -1.852 5 HG2 MET 1 HG2 MET 1 2.175 -1.390 -2.558 6 HG3 MET 1 HG3 MET 1 2.040 -2.870 -1.605 7 HE1 MET 1 HE1 MET 1 0.563 -0.833 -4.657 8 HE2 MET 1 HE2 MET 1 -0.898 -1.176 -3.728 9 HE3 MET 1 HE3 MET 1 -0.638 -1.962 -5.283 10 H SER 2 H SER 2 3.430 -0.538 -1.039 11 HA SER 2 HA SER 2 4.321 1.955 -0.209 12 HB2 SER 2 HB2 SER 2 5.791 0.047 -0.729 13 HB3 SER 2 HB3 SER 2 5.411 0.194 -2.443 14 HG SER 2 HG SER 2 6.661 1.937 -2.591 15 H LYS 3 H LYS 3 2.331 1.416 -2.996 16 HA LYS 3 HA LYS 3 3.341 3.397 -4.760 17 HB2 LYS 3 HB2 LYS 3 1.219 3.239 -5.946 18 HB3 LYS 3 HB3 LYS 3 1.780 1.634 -5.502 19 HG2 LYS 3 HG2 LYS 3 0.113 1.350 -3.857 20 HG3 LYS 3 HG3 LYS 3 -0.236 3.079 -3.758 21 HD2 LYS 3 HD2 LYS 3 -0.857 1.321 -6.172 22 HD3 LYS 3 HD3 LYS 3 -2.022 1.763 -4.920 23 HE2 LYS 3 HE2 LYS 3 -1.750 4.152 -5.501 24 HE3 LYS 3 HE3 LYS 3 -0.570 3.725 -6.742 25 HZ1 LYS 3 HZ1 LYS 3 -2.794 4.138 -7.610 26 HZ2 LYS 3 HZ2 LYS 3 -3.397 2.840 -6.714 27 HZ3 LYS 3 HZ3 LYS 3 -2.265 2.569 -7.941 28 H ILE 4 H ILE 4 1.498 3.692 -1.866 29 HA ILE 4 HA ILE 4 0.641 5.383 -0.662 30 HB ILE 4 HB ILE 4 1.923 7.348 -2.624 31 HG12 ILE 4 HG12 ILE 4 3.640 5.759 -1.844 32 HG13 ILE 4 HG13 ILE 4 3.923 7.344 -1.137 33 HG21 ILE 4 HG21 ILE 4 1.192 7.738 0.313 34 HG22 ILE 4 HG22 ILE 4 0.398 8.496 -1.069 35 HG23 ILE 4 HG23 ILE 4 2.069 8.907 -0.683 36 HD11 ILE 4 HD11 ILE 4 2.701 4.955 0.243 37 HD12 ILE 4 HD12 ILE 4 2.915 6.550 0.973 38 HD13 ILE 4 HD13 ILE 4 4.321 5.608 0.478 39 H VAL 5 H VAL 5 -1.021 7.319 -0.882 40 HA VAL 5 HA VAL 5 -2.147 7.719 -3.551 41 HB VAL 5 HB VAL 5 -4.524 7.947 -2.475 42 HG11 VAL 5 HG11 VAL 5 -4.006 6.246 -4.161 43 HG12 VAL 5 HG12 VAL 5 -5.104 5.598 -2.940 44 HG13 VAL 5 HG13 VAL 5 -3.388 5.164 -2.906 45 HG21 VAL 5 HG21 VAL 5 -3.314 6.055 -0.424 46 HG22 VAL 5 HG22 VAL 5 -5.030 6.447 -0.577 47 HG23 VAL 5 HG23 VAL 5 -3.876 7.700 -0.110 48 H GLY 6 H GLY 6 -2.021 8.671 -0.139 49 HA2 GLY 6 HA2 GLY 6 -1.317 11.386 -0.725 50 HA3 GLY 6 HA3 GLY 6 -2.991 11.224 -0.188 51 H VAL 7 H VAL 7 -2.256 12.589 1.579 52 HA VAL 7 HA VAL 7 -1.243 10.927 3.820 53 HB VAL 7 HB VAL 7 0.347 12.787 3.157 54 HG11 VAL 7 HG11 VAL 7 -1.261 14.506 2.473 55 HG12 VAL 7 HG12 VAL 7 -0.186 15.126 3.726 56 HG13 VAL 7 HG13 VAL 7 -1.837 14.656 4.136 57 HG21 VAL 7 HG21 VAL 7 0.798 13.586 5.458 58 HG22 VAL 7 HG22 VAL 7 0.439 11.857 5.428 59 HG23 VAL 7 HG23 VAL 7 -0.791 13.003 5.968 60 H THR 8 H THR 8 -2.330 11.268 5.836 61 HA THR 8 HA THR 8 -4.931 12.642 5.718 62 HB THR 8 HB THR 8 -5.421 10.272 5.582 63 HG1 THR 8 HG1 THR 8 -6.766 11.538 6.963 64 HG21 THR 8 HG21 THR 8 -3.762 9.881 8.106 65 HG22 THR 8 HG22 THR 8 -3.350 9.308 6.487 66 HG23 THR 8 HG23 THR 8 -4.753 8.643 7.325 67 H TYR 9 H TYR 9 -5.443 13.907 7.440 68 HA TYR 9 HA TYR 9 -3.683 13.971 9.801 69 HB2 TYR 9 HB2 TYR 9 -3.987 16.148 7.760 70 HB3 TYR 9 HB3 TYR 9 -4.055 16.682 9.433 71 HD1 TYR 9 HD1 TYR 9 -1.888 15.213 6.825 72 HD2 TYR 9 HD2 TYR 9 -2.105 16.552 10.878 73 HE1 TYR 9 HE1 TYR 9 0.561 15.185 6.970 74 HE2 TYR 9 HE2 TYR 9 0.344 16.525 11.020 75 HH TYR 9 HH TYR 9 2.226 15.197 9.785 76 HA PRO 10 HA PRO 10 -7.646 14.794 11.875 77 HB2 PRO 10 HB2 PRO 10 -6.705 15.233 14.381 78 HB3 PRO 10 HB3 PRO 10 -6.723 13.612 13.680 79 HG2 PRO 10 HG2 PRO 10 -4.433 15.576 13.817 80 HG3 PRO 10 HG3 PRO 10 -4.446 13.854 14.264 81 HD2 PRO 10 HD2 PRO 10 -3.511 14.695 11.863 82 HD3 PRO 10 HD3 PRO 10 -4.366 13.142 12.037 83 H ILE 11 H ILE 11 -5.050 16.853 11.249 84 HA ILE 11 HA ILE 11 -4.625 19.032 11.132 85 HB ILE 11 HB ILE 11 -7.591 19.541 11.633 86 HG12 ILE 11 HG12 ILE 11 -7.321 17.996 9.713 87 HG13 ILE 11 HG13 ILE 11 -7.895 19.566 9.173 88 HG21 ILE 11 HG21 ILE 11 -7.231 21.675 10.426 89 HG22 ILE 11 HG22 ILE 11 -5.509 21.308 10.288 90 HG23 ILE 11 HG23 ILE 11 -6.229 21.573 11.879 91 HD11 ILE 11 HD11 ILE 11 -6.258 18.622 7.657 92 HD12 ILE 11 HD12 ILE 11 -5.060 18.558 8.949 93 HD13 ILE 11 HD13 ILE 11 -5.662 20.116 8.372 94 HA PRO 12 HA PRO 12 -3.753 19.331 15.558 95 HB2 PRO 12 HB2 PRO 12 -2.142 21.592 15.545 96 HB3 PRO 12 HB3 PRO 12 -1.593 19.985 15.048 97 HG2 PRO 12 HG2 PRO 12 -2.579 22.264 13.325 98 HG3 PRO 12 HG3 PRO 12 -1.145 21.237 13.100 99 HD2 PRO 12 HD2 PRO 12 -3.391 20.767 11.708 100 HD3 PRO 12 HD3 PRO 12 -2.417 19.412 12.324 101 H LYS 13 H LYS 13 -5.497 21.699 13.827 102 HA LYS 13 HA LYS 13 -6.696 22.807 16.291 103 HB2 LYS 13 HB2 LYS 13 -5.785 24.363 13.831 104 HB3 LYS 13 HB3 LYS 13 -6.901 25.019 15.027 105 HG2 LYS 13 HG2 LYS 13 -5.173 24.788 16.776 106 HG3 LYS 13 HG3 LYS 13 -4.044 24.144 15.578 107 HD2 LYS 13 HD2 LYS 13 -3.997 26.263 14.393 108 HD3 LYS 13 HD3 LYS 13 -5.314 26.904 15.383 109 HE2 LYS 13 HE2 LYS 13 -2.544 26.174 16.396 110 HE3 LYS 13 HE3 LYS 13 -3.126 27.808 16.089 111 HZ1 LYS 13 HZ1 LYS 13 -4.257 25.927 18.093 112 HZ2 LYS 13 HZ2 LYS 13 -4.795 27.504 17.807 113 HZ3 LYS 13 HZ3 LYS 13 -3.247 27.238 18.428 114 H ARG 14 H ARG 14 -8.783 24.083 15.603 115 HA ARG 14 HA ARG 14 -10.607 22.254 14.378 116 HB2 ARG 14 HB2 ARG 14 -11.177 23.671 16.311 117 HB3 ARG 14 HB3 ARG 14 -10.991 25.123 15.344 118 HG2 ARG 14 HG2 ARG 14 -13.019 23.131 14.384 119 HG3 ARG 14 HG3 ARG 14 -13.390 23.959 15.894 120 HD2 ARG 14 HD2 ARG 14 -13.272 26.123 14.805 121 HD3 ARG 14 HD3 ARG 14 -12.696 25.392 13.303 122 HE ARG 14 HE ARG 14 -15.114 24.177 13.810 123 HH11 ARG 14 HH11 ARG 14 -14.097 27.504 13.348 124 HH12 ARG 14 HH12 ARG 14 -15.580 27.984 12.596 125 HH21 ARG 14 HH21 ARG 14 -17.053 24.826 12.779 126 HH22 ARG 14 HH22 ARG 14 -17.236 26.468 12.257 127 H PHE 15 H PHE 15 -8.497 24.385 12.937 128 HA PHE 15 HA PHE 15 -10.133 25.569 10.911 129 HB2 PHE 15 HB2 PHE 15 -7.117 25.303 11.148 130 HB3 PHE 15 HB3 PHE 15 -7.934 26.260 9.918 131 HD1 PHE 15 HD1 PHE 15 -9.561 28.122 10.777 132 HD2 PHE 15 HD2 PHE 15 -6.531 26.340 13.200 133 HE1 PHE 15 HE1 PHE 15 -9.648 30.039 12.304 134 HE2 PHE 15 HE2 PHE 15 -6.628 28.261 14.726 135 HZ PHE 15 HZ PHE 15 -8.185 30.113 14.280 136 H MET 16 H MET 16 -9.504 22.337 11.144 137 HA MET 16 HA MET 16 -9.341 21.503 8.474 138 HB2 MET 16 HB2 MET 16 -10.819 19.622 9.096 139 HB3 MET 16 HB3 MET 16 -9.625 19.902 10.352 140 HG2 MET 16 HG2 MET 16 -11.276 20.926 11.791 141 HG3 MET 16 HG3 MET 16 -12.476 20.909 10.501 142 HE1 MET 16 HE1 MET 16 -10.409 18.691 13.035 143 HE2 MET 16 HE2 MET 16 -9.940 17.986 11.487 144 HE3 MET 16 HE3 MET 16 -10.951 17.070 12.606 145 H ASP 17 H ASP 17 -11.849 23.141 10.263 146 HA ASP 17 HA ASP 17 -14.067 23.233 8.687 147 HB2 ASP 17 HB2 ASP 17 -14.007 24.323 10.859 148 HB3 ASP 17 HB3 ASP 17 -12.749 25.427 10.327 149 H ARG 18 H ARG 18 -11.127 25.181 8.331 150 HA ARG 18 HA ARG 18 -12.059 27.071 6.481 151 HB2 ARG 18 HB2 ARG 18 -9.261 26.056 7.047 152 HB3 ARG 18 HB3 ARG 18 -9.596 27.423 5.983 153 HG2 ARG 18 HG2 ARG 18 -10.308 27.262 8.927 154 HG3 ARG 18 HG3 ARG 18 -8.945 28.144 8.233 155 HD2 ARG 18 HD2 ARG 18 -10.527 29.572 6.972 156 HD3 ARG 18 HD3 ARG 18 -11.886 28.707 7.705 157 HE ARG 18 HE ARG 18 -10.035 30.569 9.033 158 HH11 ARG 18 HH11 ARG 18 -12.848 28.456 9.351 159 HH12 ARG 18 HH12 ARG 18 -13.382 29.215 10.817 160 HH21 ARG 18 HH21 ARG 18 -10.770 31.519 10.966 161 HH22 ARG 18 HH22 ARG 18 -12.221 30.945 11.714 162 H PHE 19 H PHE 19 -10.663 23.884 5.946 163 HA PHE 19 HA PHE 19 -10.326 24.086 3.132 164 HB2 PHE 19 HB2 PHE 19 -10.774 21.609 4.852 165 HB3 PHE 19 HB3 PHE 19 -10.166 21.601 3.201 166 HD1 PHE 19 HD1 PHE 19 -9.344 22.554 6.694 167 HD2 PHE 19 HD2 PHE 19 -7.835 22.014 2.734 168 HE1 PHE 19 HE1 PHE 19 -7.050 22.684 7.550 169 HE2 PHE 19 HE2 PHE 19 -5.541 22.140 3.601 170 HZ PHE 19 HZ PHE 19 -5.151 22.480 6.006 171 H PHE 20 H PHE 20 -13.073 23.388 5.177 172 HA PHE 20 HA PHE 20 -14.794 22.557 2.926 173 HB2 PHE 20 HB2 PHE 20 -15.506 22.684 5.886 174 HB3 PHE 20 HB3 PHE 20 -16.356 21.805 4.622 175 HD1 PHE 20 HD1 PHE 20 -14.448 20.181 3.271 176 HD2 PHE 20 HD2 PHE 20 -14.512 21.223 7.417 177 HE1 PHE 20 HE1 PHE 20 -13.200 18.139 3.811 178 HE2 PHE 20 HE2 PHE 20 -13.253 19.178 7.946 179 HZ PHE 20 HZ PHE 20 -12.592 17.631 6.144 180 H LYS 21 H LYS 21 -13.983 25.321 4.726 181 HA LYS 21 HA LYS 21 -16.522 26.687 4.790 182 HB2 LYS 21 HB2 LYS 21 -14.984 27.091 6.589 183 HB3 LYS 21 HB3 LYS 21 -13.654 27.425 5.500 184 HG2 LYS 21 HG2 LYS 21 -15.984 29.317 5.440 185 HG3 LYS 21 HG3 LYS 21 -14.946 29.349 6.868 186 HD2 LYS 21 HD2 LYS 21 -12.964 29.728 5.386 187 HD3 LYS 21 HD3 LYS 21 -14.034 29.761 3.983 188 HE2 LYS 21 HE2 LYS 21 -14.100 31.719 6.311 189 HE3 LYS 21 HE3 LYS 21 -13.431 32.042 4.710 190 HZ1 LYS 21 HZ1 LYS 21 -16.276 31.526 5.392 191 HZ2 LYS 21 HZ2 LYS 21 -15.691 31.605 3.808 192 HZ3 LYS 21 HZ3 LYS 21 -15.600 32.963 4.807 193 H LYS 22 H LYS 22 -13.489 26.997 2.970 194 HA LYS 22 HA LYS 22 -14.734 28.903 1.067 195 HB2 LYS 22 HB2 LYS 22 -12.420 29.475 0.444 196 HB3 LYS 22 HB3 LYS 22 -12.656 29.635 2.182 197 HG2 LYS 22 HG2 LYS 22 -11.668 27.224 2.311 198 HG3 LYS 22 HG3 LYS 22 -11.108 27.525 0.670 199 HD2 LYS 22 HD2 LYS 22 -9.319 27.998 2.235 200 HD3 LYS 22 HD3 LYS 22 -9.842 29.521 1.508 201 HE2 LYS 22 HE2 LYS 22 -11.016 30.139 3.534 202 HE3 LYS 22 HE3 LYS 22 -10.790 28.531 4.224 203 HZ1 LYS 22 HZ1 LYS 22 -8.409 28.925 4.273 204 HZ2 LYS 22 HZ2 LYS 22 -9.240 30.108 5.158 205 HZ3 LYS 22 HZ3 LYS 22 -8.629 30.466 3.630 206 H GLY 23 H GLY 23 -13.858 25.630 1.408 207 HA2 GLY 23 HA2 GLY 23 -14.444 23.903 -0.029 208 HA3 GLY 23 HA3 GLY 23 -14.616 25.044 -1.349 209 H LYS 24 H LYS 24 -11.745 25.934 -0.261 210 HA LYS 24 HA LYS 24 -9.963 23.911 -1.210 211 HB2 LYS 24 HB2 LYS 24 -9.237 25.132 -3.283 212 HB3 LYS 24 HB3 LYS 24 -10.865 24.483 -3.381 213 HG2 LYS 24 HG2 LYS 24 -11.656 26.859 -2.715 214 HG3 LYS 24 HG3 LYS 24 -10.010 27.373 -3.085 215 HD2 LYS 24 HD2 LYS 24 -12.010 26.108 -5.001 216 HD3 LYS 24 HD3 LYS 24 -11.444 27.779 -5.010 217 HE2 LYS 24 HE2 LYS 24 -9.746 25.324 -5.582 218 HE3 LYS 24 HE3 LYS 24 -10.370 26.452 -6.784 219 HZ1 LYS 24 HZ1 LYS 24 -8.428 27.113 -4.631 220 HZ2 LYS 24 HZ2 LYS 24 -9.018 28.201 -5.785 221 HZ3 LYS 24 HZ3 LYS 24 -8.060 26.892 -6.267 222 H ASP 25 H ASP 25 -8.130 24.247 -0.086 223 HA ASP 25 HA ASP 25 -7.590 26.894 1.140 224 HB2 ASP 25 HB2 ASP 25 -9.193 25.544 2.522 225 HB3 ASP 25 HB3 ASP 25 -8.002 24.263 2.626 226 H VAL 26 H VAL 26 -5.466 26.383 2.751 227 HA VAL 26 HA VAL 26 -3.560 24.613 1.348 228 HB VAL 26 HB VAL 26 -2.995 27.532 2.086 229 HG11 VAL 26 HG11 VAL 26 -1.001 25.430 1.128 230 HG12 VAL 26 HG12 VAL 26 -1.036 26.171 2.729 231 HG13 VAL 26 HG13 VAL 26 -0.657 27.153 1.314 232 HG21 VAL 26 HG21 VAL 26 -2.879 26.117 -0.602 233 HG22 VAL 26 HG22 VAL 26 -2.454 27.806 -0.314 234 HG23 VAL 26 HG23 VAL 26 -4.119 27.263 -0.087 235 H PHE 27 H PHE 27 -2.780 23.212 2.802 236 HA PHE 27 HA PHE 27 -2.818 23.820 5.678 237 HB2 PHE 27 HB2 PHE 27 -3.762 21.628 4.842 238 HB3 PHE 27 HB3 PHE 27 -2.152 21.172 4.308 239 HD1 PHE 27 HD1 PHE 27 -4.054 22.207 7.363 240 HD2 PHE 27 HD2 PHE 27 -0.718 20.027 5.819 241 HE1 PHE 27 HE1 PHE 27 -3.621 21.291 9.592 242 HE2 PHE 27 HE2 PHE 27 -0.312 19.101 8.053 243 HZ PHE 27 HZ PHE 27 -1.750 19.731 9.942 244 H VAL 28 H VAL 28 -1.017 24.722 6.518 245 HA VAL 28 HA VAL 28 1.601 24.223 5.288 246 HB VAL 28 HB VAL 28 2.467 26.001 6.814 247 HG11 VAL 28 HG11 VAL 28 0.090 26.790 5.074 248 HG12 VAL 28 HG12 VAL 28 1.763 26.574 4.541 249 HG13 VAL 28 HG13 VAL 28 1.350 27.894 5.637 250 HG21 VAL 28 HG21 VAL 28 0.895 27.445 8.066 251 HG22 VAL 28 HG22 VAL 28 0.850 25.790 8.674 252 HG23 VAL 28 HG23 VAL 28 -0.451 26.380 7.632 253 H LYS 29 H LYS 29 3.267 23.344 6.293 254 HA LYS 29 HA LYS 29 3.044 22.029 8.912 255 HB2 LYS 29 HB2 LYS 29 4.056 20.893 6.264 256 HB3 LYS 29 HB3 LYS 29 4.503 20.167 7.805 257 HG2 LYS 29 HG2 LYS 29 1.578 20.524 7.211 258 HG3 LYS 29 HG3 LYS 29 2.461 19.280 6.328 259 HD2 LYS 29 HD2 LYS 29 1.439 18.276 8.275 260 HD3 LYS 29 HD3 LYS 29 3.183 18.276 8.486 261 HE2 LYS 29 HE2 LYS 29 2.888 20.340 9.945 262 HE3 LYS 29 HE3 LYS 29 1.147 20.062 9.858 263 HZ1 LYS 29 HZ1 LYS 29 1.610 17.804 10.772 264 HZ2 LYS 29 HZ2 LYS 29 1.952 19.075 11.833 265 HZ3 LYS 29 HZ3 LYS 29 3.215 18.289 11.028 266 HA PRO 30 HA PRO 30 7.267 23.884 9.195 267 HB2 PRO 30 HB2 PRO 30 7.864 23.091 11.735 268 HB3 PRO 30 HB3 PRO 30 6.753 24.432 11.412 269 HG2 PRO 30 HG2 PRO 30 6.113 21.565 12.105 270 HG3 PRO 30 HG3 PRO 30 5.376 23.057 12.725 271 HD2 PRO 30 HD2 PRO 30 4.232 21.542 10.733 272 HD3 PRO 30 HD3 PRO 30 3.990 23.300 10.876 273 H ALA 31 H ALA 31 7.206 21.865 7.518 274 HA ALA 31 HA ALA 31 7.853 19.859 6.706 275 HB1 ALA 31 HB1 ALA 31 10.327 20.391 8.382 276 HB2 ALA 31 HB2 ALA 31 10.020 21.023 6.764 277 HB3 ALA 31 HB3 ALA 31 10.220 19.287 7.008 278 H THR 32 H THR 32 6.389 18.374 7.504 279 HA THR 32 HA THR 32 7.331 16.634 9.720 280 HB THR 32 HB THR 32 4.402 17.178 9.041 281 HG1 THR 32 HG1 THR 32 6.161 18.442 10.810 282 HG21 THR 32 HG21 THR 32 3.910 16.033 11.170 283 HG22 THR 32 HG22 THR 32 5.629 15.718 11.413 284 HG23 THR 32 HG23 THR 32 4.773 14.957 10.068 285 H VAL 33 H VAL 33 5.251 16.830 6.838 286 HA VAL 33 HA VAL 33 5.991 14.064 6.084 287 HB VAL 33 HB VAL 33 3.721 13.933 4.944 288 HG11 VAL 33 HG11 VAL 33 3.661 14.282 7.966 289 HG12 VAL 33 HG12 VAL 33 4.127 12.814 7.097 290 HG13 VAL 33 HG13 VAL 33 2.467 13.402 7.004 291 HG21 VAL 33 HG21 VAL 33 3.165 16.344 4.826 292 HG22 VAL 33 HG22 VAL 33 3.068 16.424 6.587 293 HG23 VAL 33 HG23 VAL 33 1.900 15.455 5.680 294 H TRP 34 H TRP 34 7.452 14.301 4.507 295 HA TRP 34 HA TRP 34 6.777 15.817 2.092 296 HB2 TRP 34 HB2 TRP 34 9.088 16.863 2.014 297 HB3 TRP 34 HB3 TRP 34 8.051 17.494 3.288 298 HD1 TRP 34 HD1 TRP 34 8.801 17.087 5.812 299 HE1 TRP 34 HE1 TRP 34 10.983 16.254 6.885 300 HE3 TRP 34 HE3 TRP 34 11.126 15.223 1.636 301 HZ2 TRP 34 HZ2 TRP 34 13.365 14.977 6.091 302 HZ3 TRP 34 HZ3 TRP 34 13.359 14.215 1.885 303 HH2 TRP 34 HH2 TRP 34 14.457 14.096 4.069 304 H LYS 35 H LYS 35 7.682 12.983 3.384 305 HA LYS 35 HA LYS 35 9.832 12.037 1.781 306 HB2 LYS 35 HB2 LYS 35 7.579 10.398 3.044 307 HB3 LYS 35 HB3 LYS 35 9.126 9.771 2.479 308 HG2 LYS 35 HG2 LYS 35 10.273 11.136 4.224 309 HG3 LYS 35 HG3 LYS 35 8.696 11.667 4.803 310 HD2 LYS 35 HD2 LYS 35 9.264 9.918 6.277 311 HD3 LYS 35 HD3 LYS 35 8.163 9.149 5.136 312 HE2 LYS 35 HE2 LYS 35 11.197 8.986 5.019 313 HE3 LYS 35 HE3 LYS 35 10.150 7.750 5.704 314 HZ1 LYS 35 HZ1 LYS 35 9.166 7.469 3.495 315 HZ2 LYS 35 HZ2 LYS 35 10.824 7.150 3.506 316 HZ3 LYS 35 HZ3 LYS 35 10.246 8.602 2.864 317 H GLU 36 H GLU 36 6.322 11.604 1.532 318 HA GLU 36 HA GLU 36 6.551 10.639 -1.266 319 HB2 GLU 36 HB2 GLU 36 4.174 10.265 0.609 320 HB3 GLU 36 HB3 GLU 36 4.505 9.414 -0.899 321 HG2 GLU 36 HG2 GLU 36 6.006 9.123 1.726 322 HG3 GLU 36 HG3 GLU 36 4.888 7.963 1.018 323 H LEU 37 H LEU 37 5.788 13.360 0.527 324 HA LEU 37 HA LEU 37 3.279 14.173 -0.500 325 HB2 LEU 37 HB2 LEU 37 4.987 15.071 1.528 326 HB3 LEU 37 HB3 LEU 37 5.026 16.393 0.387 327 HG LEU 37 HG LEU 37 3.340 16.897 2.009 328 HD11 LEU 37 HD11 LEU 37 1.342 17.165 0.697 329 HD12 LEU 37 HD12 LEU 37 1.871 15.933 -0.454 330 HD13 LEU 37 HD13 LEU 37 2.755 17.461 -0.314 331 HD21 LEU 37 HD21 LEU 37 2.072 14.202 1.453 332 HD22 LEU 37 HD22 LEU 37 1.475 15.442 2.562 333 HD23 LEU 37 HD23 LEU 37 3.007 14.636 2.888 334 H LYS 38 H LYS 38 2.957 14.480 -2.626 335 HA LYS 38 HA LYS 38 4.677 16.361 -4.098 336 HB2 LYS 38 HB2 LYS 38 4.788 14.948 -6.050 337 HB3 LYS 38 HB3 LYS 38 5.341 14.015 -4.679 338 HG2 LYS 38 HG2 LYS 38 4.044 12.419 -5.718 339 HG3 LYS 38 HG3 LYS 38 2.828 13.127 -4.656 340 HD2 LYS 38 HD2 LYS 38 1.901 12.816 -6.899 341 HD3 LYS 38 HD3 LYS 38 2.019 14.534 -6.544 342 HE2 LYS 38 HE2 LYS 38 4.103 14.655 -7.880 343 HE3 LYS 38 HE3 LYS 38 3.958 12.936 -8.250 344 HZ1 LYS 38 HZ1 LYS 38 2.035 15.059 -9.019 345 HZ2 LYS 38 HZ2 LYS 38 1.856 13.411 -9.354 346 HZ3 LYS 38 HZ3 LYS 38 3.130 14.282 -10.044 347 HA PRO 39 HA PRO 39 0.766 18.182 -5.306 348 HB2 PRO 39 HB2 PRO 39 1.417 19.380 -7.684 349 HB3 PRO 39 HB3 PRO 39 2.006 19.983 -6.126 350 HG2 PRO 39 HG2 PRO 39 3.411 18.214 -8.127 351 HG3 PRO 39 HG3 PRO 39 4.035 19.638 -7.268 352 HD2 PRO 39 HD2 PRO 39 4.585 17.107 -6.451 353 HD3 PRO 39 HD3 PRO 39 4.399 18.449 -5.291 354 H GLY 40 H GLY 40 -0.669 16.548 -5.690 355 HA2 GLY 40 HA2 GLY 40 -1.915 15.926 -7.935 356 HA3 GLY 40 HA3 GLY 40 -0.508 14.877 -8.104 357 H MET 41 H MET 41 -0.548 14.678 -5.027 358 HA MET 41 HA MET 41 -2.113 12.262 -4.868 359 HB2 MET 41 HB2 MET 41 -0.595 13.795 -2.723 360 HB3 MET 41 HB3 MET 41 -1.359 12.235 -2.468 361 HG2 MET 41 HG2 MET 41 0.178 11.431 -4.423 362 HG3 MET 41 HG3 MET 41 1.103 12.888 -4.061 363 HE1 MET 41 HE1 MET 41 1.811 12.120 -0.141 364 HE2 MET 41 HE2 MET 41 0.273 12.767 -0.709 365 HE3 MET 41 HE3 MET 41 1.789 13.404 -1.351 366 H LYS 42 H LYS 42 -3.392 12.048 -2.643 367 HA LYS 42 HA LYS 42 -5.398 14.214 -2.504 368 HB2 LYS 42 HB2 LYS 42 -6.755 12.488 -1.229 369 HB3 LYS 42 HB3 LYS 42 -6.526 12.185 -2.944 370 HG2 LYS 42 HG2 LYS 42 -4.960 10.439 -2.517 371 HG3 LYS 42 HG3 LYS 42 -4.809 10.897 -0.824 372 HD2 LYS 42 HD2 LYS 42 -6.198 8.831 -1.214 373 HD3 LYS 42 HD3 LYS 42 -7.034 10.107 -0.324 374 HE2 LYS 42 HE2 LYS 42 -8.204 10.788 -2.380 375 HE3 LYS 42 HE3 LYS 42 -7.355 9.543 -3.295 376 HZ1 LYS 42 HZ1 LYS 42 -9.402 9.229 -1.184 377 HZ2 LYS 42 HZ2 LYS 42 -8.404 7.944 -1.653 378 HZ3 LYS 42 HZ3 LYS 42 -9.433 8.662 -2.782 379 H PHE 43 H PHE 43 -6.261 14.718 -0.378 380 HA PHE 43 HA PHE 43 -4.506 14.155 1.937 381 HB2 PHE 43 HB2 PHE 43 -4.095 16.482 0.920 382 HB3 PHE 43 HB3 PHE 43 -5.725 16.898 1.411 383 HD1 PHE 43 HD1 PHE 43 -6.130 16.236 4.098 384 HD2 PHE 43 HD2 PHE 43 -2.415 17.325 2.279 385 HE1 PHE 43 HE1 PHE 43 -5.278 16.990 6.272 386 HE2 PHE 43 HE2 PHE 43 -1.580 18.083 4.460 387 HZ PHE 43 HZ PHE 43 -3.007 17.915 6.455 388 H VAL 44 H VAL 44 -5.876 12.838 3.002 389 HA VAL 44 HA VAL 44 -8.745 13.364 3.030 390 HB VAL 44 HB VAL 44 -7.194 10.998 4.156 391 HG11 VAL 44 HG11 VAL 44 -10.182 11.348 3.685 392 HG12 VAL 44 HG12 VAL 44 -9.386 11.293 5.260 393 HG13 VAL 44 HG13 VAL 44 -9.392 9.863 4.227 394 HG21 VAL 44 HG21 VAL 44 -6.946 11.161 1.710 395 HG22 VAL 44 HG22 VAL 44 -8.696 11.297 1.521 396 HG23 VAL 44 HG23 VAL 44 -7.990 9.800 2.128 397 H PHE 45 H PHE 45 -9.712 14.351 4.629 398 HA PHE 45 HA PHE 45 -8.223 15.239 6.951 399 HB2 PHE 45 HB2 PHE 45 -11.066 15.892 6.042 400 HB3 PHE 45 HB3 PHE 45 -10.211 16.676 7.377 401 HD1 PHE 45 HD1 PHE 45 -8.120 17.997 6.911 402 HD2 PHE 45 HD2 PHE 45 -10.611 16.544 3.761 403 HE1 PHE 45 HE1 PHE 45 -7.005 19.494 5.328 404 HE2 PHE 45 HE2 PHE 45 -9.480 18.035 2.192 405 HZ PHE 45 HZ PHE 45 -7.676 19.508 2.963 406 H TYR 46 H TYR 46 -8.057 13.935 8.548 407 HA TYR 46 HA TYR 46 -10.014 11.970 9.351 408 HB2 TYR 46 HB2 TYR 46 -7.550 11.535 9.400 409 HB3 TYR 46 HB3 TYR 46 -7.342 12.822 10.575 410 HD1 TYR 46 HD1 TYR 46 -8.774 9.416 10.066 411 HD2 TYR 46 HD2 TYR 46 -7.667 12.379 12.923 412 HE1 TYR 46 HE1 TYR 46 -9.025 7.776 11.879 413 HE2 TYR 46 HE2 TYR 46 -7.903 10.742 14.730 414 HH TYR 46 HH TYR 46 -9.200 8.603 15.108 415 H GLN 47 H GLN 47 -11.443 12.239 11.056 416 HA GLN 47 HA GLN 47 -11.624 14.861 12.370 417 HB2 GLN 47 HB2 GLN 47 -13.644 13.768 11.253 418 HB3 GLN 47 HB3 GLN 47 -13.593 12.528 12.497 419 HG2 GLN 47 HG2 GLN 47 -14.000 14.274 14.221 420 HG3 GLN 47 HG3 GLN 47 -14.072 15.493 12.950 421 HE21 GLN 47 HE21 GLN 47 -16.091 14.698 14.907 422 HE22 GLN 47 HE22 GLN 47 -17.493 14.261 13.998 423 H SER 48 H SER 48 -12.118 14.870 14.731 424 HA SER 48 HA SER 48 -10.390 13.405 16.394 425 HB2 SER 48 HB2 SER 48 -11.335 15.608 17.008 426 HB3 SER 48 HB3 SER 48 -12.953 14.916 17.080 427 HG SER 48 HG SER 48 -11.941 15.134 19.145 428 H HIS 49 H HIS 49 -11.483 12.285 18.446 429 HA HIS 49 HA HIS 49 -12.298 9.690 17.593 430 HB2 HIS 49 HB2 HIS 49 -12.224 9.156 20.032 431 HB3 HIS 49 HB3 HIS 49 -10.787 10.027 19.504 432 HD1 HIS 49 HD1 HIS 49 -10.510 12.497 20.340 433 HD2 HIS 49 HD2 HIS 49 -13.815 10.522 21.911 434 HE1 HIS 49 HE1 HIS 49 -11.317 13.932 22.240 435 HE2 HIS 49 HE2 HIS 49 -13.412 12.799 23.060 436 H GLU 50 H GLU 50 -14.317 12.136 17.453 437 HA GLU 50 HA GLU 50 -16.534 11.592 19.128 438 HB2 GLU 50 HB2 GLU 50 -16.440 13.069 16.455 439 HB3 GLU 50 HB3 GLU 50 -17.691 13.232 17.690 440 HG2 GLU 50 HG2 GLU 50 -16.141 14.293 19.214 441 HG3 GLU 50 HG3 GLU 50 -14.778 13.950 18.151 442 H ASP 51 H ASP 51 -16.312 11.253 15.571 443 HA ASP 51 HA ASP 51 -17.113 8.553 15.377 444 HB2 ASP 51 HB2 ASP 51 -19.351 9.444 16.093 445 HB3 ASP 51 HB3 ASP 51 -19.336 10.558 14.733 446 H THR 52 H THR 52 -17.060 7.840 13.218 447 HA THR 52 HA THR 52 -16.381 7.717 11.088 448 HB THR 52 HB THR 52 -17.388 10.581 10.895 449 HG1 THR 52 HG1 THR 52 -18.928 8.991 11.534 450 HG21 THR 52 HG21 THR 52 -17.604 10.153 8.463 451 HG22 THR 52 HG22 THR 52 -16.824 8.583 8.669 452 HG23 THR 52 HG23 THR 52 -15.917 10.067 8.977 453 H GLY 53 H GLY 53 -14.226 7.399 11.154 454 HA2 GLY 53 HA2 GLY 53 -12.252 9.113 12.087 455 HA3 GLY 53 HA3 GLY 53 -11.986 7.770 10.994 456 H PHE 54 H PHE 54 -13.555 8.827 8.787 457 HA PHE 54 HA PHE 54 -11.743 11.010 7.905 458 HB2 PHE 54 HB2 PHE 54 -13.232 8.892 6.308 459 HB3 PHE 54 HB3 PHE 54 -12.371 10.239 5.573 460 HD1 PHE 54 HD1 PHE 54 -10.054 9.928 7.871 461 HD2 PHE 54 HD2 PHE 54 -11.819 7.359 4.931 462 HE1 PHE 54 HE1 PHE 54 -7.970 8.630 7.743 463 HE2 PHE 54 HE2 PHE 54 -9.727 6.073 4.816 464 HZ PHE 54 HZ PHE 54 -7.802 6.705 6.211 465 H VAL 55 H VAL 55 -12.760 12.884 8.369 466 HA VAL 55 HA VAL 55 -15.613 13.286 8.093 467 HB VAL 55 HB VAL 55 -14.272 14.349 9.902 468 HG11 VAL 55 HG11 VAL 55 -12.874 16.340 9.473 469 HG12 VAL 55 HG12 VAL 55 -13.073 16.098 7.736 470 HG13 VAL 55 HG13 VAL 55 -12.218 14.893 8.700 471 HG21 VAL 55 HG21 VAL 55 -15.340 16.561 9.877 472 HG22 VAL 55 HG22 VAL 55 -16.456 15.301 9.348 473 HG23 VAL 55 HG23 VAL 55 -15.707 16.369 8.159 474 H GLY 56 H GLY 56 -12.835 13.668 6.067 475 HA2 GLY 56 HA2 GLY 56 -14.381 14.127 3.738 476 HA3 GLY 56 HA3 GLY 56 -13.655 15.651 4.252 477 H GLU 57 H GLU 57 -12.743 15.187 1.957 478 HA GLU 57 HA GLU 57 -9.945 14.617 2.401 479 HB2 GLU 57 HB2 GLU 57 -9.585 13.072 0.585 480 HB3 GLU 57 HB3 GLU 57 -10.796 12.380 1.653 481 HG2 GLU 57 HG2 GLU 57 -12.558 12.856 0.082 482 HG3 GLU 57 HG3 GLU 57 -11.478 13.820 -0.923 483 H ALA 58 H ALA 58 -8.787 14.997 0.094 484 HA ALA 58 HA ALA 58 -9.970 16.966 -1.631 485 HB1 ALA 58 HB1 ALA 58 -8.495 18.853 -0.987 486 HB2 ALA 58 HB2 ALA 58 -7.898 17.906 0.381 487 HB3 ALA 58 HB3 ALA 58 -9.590 18.398 0.322 488 H ARG 59 H ARG 59 -7.790 18.168 -2.704 489 HA ARG 59 HA ARG 59 -5.936 15.994 -3.447 490 HB2 ARG 59 HB2 ARG 59 -7.401 17.966 -5.222 491 HB3 ARG 59 HB3 ARG 59 -5.886 17.238 -5.756 492 HG2 ARG 59 HG2 ARG 59 -8.367 15.695 -4.928 493 HG3 ARG 59 HG3 ARG 59 -7.867 16.014 -6.597 494 HD2 ARG 59 HD2 ARG 59 -5.780 14.743 -6.216 495 HD3 ARG 59 HD3 ARG 59 -6.255 14.439 -4.539 496 HE ARG 59 HE ARG 59 -8.335 13.429 -5.917 497 HH11 ARG 59 HH11 ARG 59 -4.866 12.911 -6.247 498 HH12 ARG 59 HH12 ARG 59 -5.054 11.277 -6.790 499 HH21 ARG 59 HH21 ARG 59 -8.555 11.305 -6.598 500 HH22 ARG 59 HH22 ARG 59 -7.154 10.358 -6.982 501 H ILE 60 H ILE 60 -3.960 16.391 -2.972 502 HA ILE 60 HA ILE 60 -2.871 18.870 -2.158 503 HB ILE 60 HB ILE 60 -1.658 16.166 -2.807 504 HG12 ILE 60 HG12 ILE 60 -1.787 17.602 -0.131 505 HG13 ILE 60 HG13 ILE 60 -3.087 16.567 -0.689 506 HG21 ILE 60 HG21 ILE 60 0.088 17.787 -3.369 507 HG22 ILE 60 HG22 ILE 60 0.506 16.939 -1.883 508 HG23 ILE 60 HG23 ILE 60 -0.116 18.587 -1.806 509 HD11 ILE 60 HD11 ILE 60 -1.581 15.448 0.871 510 HD12 ILE 60 HD12 ILE 60 -0.230 15.689 -0.236 511 HD13 ILE 60 HD13 ILE 60 -1.589 14.658 -0.703 512 H LYS 61 H LYS 61 -1.677 20.262 -3.166 513 HA LYS 61 HA LYS 61 -0.951 20.124 -5.999 514 HB2 LYS 61 HB2 LYS 61 -2.497 22.353 -4.595 515 HB3 LYS 61 HB3 LYS 61 -1.859 22.493 -6.223 516 HG2 LYS 61 HG2 LYS 61 -3.960 20.497 -5.319 517 HG3 LYS 61 HG3 LYS 61 -4.297 22.028 -6.131 518 HD2 LYS 61 HD2 LYS 61 -2.688 19.726 -7.333 519 HD3 LYS 61 HD3 LYS 61 -4.393 20.055 -7.655 520 HE2 LYS 61 HE2 LYS 61 -3.664 22.357 -8.487 521 HE3 LYS 61 HE3 LYS 61 -2.003 21.756 -8.424 522 HZ1 LYS 61 HZ1 LYS 61 -4.243 20.687 -10.046 523 HZ2 LYS 61 HZ2 LYS 61 -2.726 19.950 -9.927 524 HZ3 LYS 61 HZ3 LYS 61 -2.865 21.490 -10.612 525 H ARG 62 H ARG 62 0.016 22.797 -6.062 526 HA ARG 62 HA ARG 62 2.635 22.335 -5.734 527 HB2 ARG 62 HB2 ARG 62 3.038 24.630 -6.211 528 HB3 ARG 62 HB3 ARG 62 1.502 24.245 -6.964 529 HG2 ARG 62 HG2 ARG 62 0.671 25.271 -4.536 530 HG3 ARG 62 HG3 ARG 62 2.146 26.191 -4.808 531 HD2 ARG 62 HD2 ARG 62 0.472 27.535 -5.762 532 HD3 ARG 62 HD3 ARG 62 1.135 26.692 -7.165 533 HE ARG 62 HE ARG 62 -1.091 25.304 -6.018 534 HH11 ARG 62 HH11 ARG 62 -0.298 27.916 -8.233 535 HH12 ARG 62 HH12 ARG 62 -1.865 27.904 -8.970 536 HH21 ARG 62 HH21 ARG 62 -3.112 25.310 -7.013 537 HH22 ARG 62 HH22 ARG 62 -3.447 26.450 -8.279 538 H VAL 63 H VAL 63 3.851 21.779 -4.041 539 HA VAL 63 HA VAL 63 3.259 22.774 -1.352 540 HB VAL 63 HB VAL 63 4.905 21.114 -0.528 541 HG11 VAL 63 HG11 VAL 63 2.844 19.930 -2.430 542 HG12 VAL 63 HG12 VAL 63 2.559 20.446 -0.766 543 HG13 VAL 63 HG13 VAL 63 3.619 19.074 -1.091 544 HG21 VAL 63 HG21 VAL 63 6.492 21.035 -2.436 545 HG22 VAL 63 HG22 VAL 63 5.265 20.276 -3.450 546 HG23 VAL 63 HG23 VAL 63 5.914 19.414 -2.049 547 H VAL 64 H VAL 64 4.057 24.706 -0.864 548 HA VAL 64 HA VAL 64 6.399 25.806 -2.239 549 HB VAL 64 HB VAL 64 4.442 27.134 -0.310 550 HG11 VAL 64 HG11 VAL 64 5.385 29.292 -1.097 551 HG12 VAL 64 HG12 VAL 64 6.595 28.419 -2.036 552 HG13 VAL 64 HG13 VAL 64 6.601 28.311 -0.273 553 HG21 VAL 64 HG21 VAL 64 3.463 28.205 -2.307 554 HG22 VAL 64 HG22 VAL 64 3.331 26.446 -2.394 555 HG23 VAL 64 HG23 VAL 64 4.561 27.287 -3.342 556 H LEU 65 H LEU 65 8.333 25.335 -1.324 557 HA LEU 65 HA LEU 65 8.550 24.859 1.560 558 HB2 LEU 65 HB2 LEU 65 10.752 24.639 -0.537 559 HB3 LEU 65 HB3 LEU 65 10.755 23.968 1.090 560 HG LEU 65 HG LEU 65 9.012 23.019 -1.233 561 HD11 LEU 65 HD11 LEU 65 10.371 20.978 -1.193 562 HD12 LEU 65 HD12 LEU 65 11.397 21.662 0.072 563 HD13 LEU 65 HD13 LEU 65 11.358 22.397 -1.533 564 HD21 LEU 65 HD21 LEU 65 9.219 21.886 1.579 565 HD22 LEU 65 HD22 LEU 65 8.330 21.165 0.233 566 HD23 LEU 65 HD23 LEU 65 7.827 22.721 0.882 567 H SER 66 H SER 66 8.989 26.559 2.817 568 HA SER 66 HA SER 66 11.071 28.478 2.177 569 HB2 SER 66 HB2 SER 66 9.023 29.550 1.215 570 HB3 SER 66 HB3 SER 66 8.226 29.435 2.785 571 HG SER 66 HG SER 66 10.712 30.753 2.515 572 H GLU 67 H GLU 67 12.215 28.867 3.979 573 HA GLU 67 HA GLU 67 11.662 27.706 6.485 574 HB2 GLU 67 HB2 GLU 67 13.620 29.831 5.599 575 HB3 GLU 67 HB3 GLU 67 13.538 29.318 7.276 576 HG2 GLU 67 HG2 GLU 67 14.075 27.011 6.589 577 HG3 GLU 67 HG3 GLU 67 14.181 27.549 4.925 578 H ASN 68 H ASN 68 10.621 30.738 5.138 579 HA ASN 68 HA ASN 68 9.657 31.709 7.755 580 HB2 ASN 68 HB2 ASN 68 9.601 33.111 5.055 581 HB3 ASN 68 HB3 ASN 68 9.167 33.829 6.600 582 HD21 ASN 68 HD21 ASN 68 11.216 34.599 4.631 583 HD22 ASN 68 HD22 ASN 68 12.717 34.629 5.483 584 HA PRO 69 HA PRO 69 5.665 29.865 6.503 585 HB2 PRO 69 HB2 PRO 69 4.287 30.508 8.795 586 HB3 PRO 69 HB3 PRO 69 5.414 29.150 8.692 587 HG2 PRO 69 HG2 PRO 69 5.892 31.925 9.765 588 HG3 PRO 69 HG3 PRO 69 6.347 30.361 10.477 589 HD2 PRO 69 HD2 PRO 69 8.129 31.875 9.121 590 HD3 PRO 69 HD3 PRO 69 8.177 30.097 9.049 591 H MET 70 H MET 70 6.501 33.123 6.911 592 HA MET 70 HA MET 70 3.872 34.307 6.660 593 HB2 MET 70 HB2 MET 70 6.670 35.477 6.605 594 HB3 MET 70 HB3 MET 70 5.206 36.450 6.502 595 HG2 MET 70 HG2 MET 70 4.542 35.849 8.718 596 HG3 MET 70 HG3 MET 70 5.772 34.589 8.823 597 HE1 MET 70 HE1 MET 70 9.075 36.670 9.117 598 HE2 MET 70 HE2 MET 70 8.369 35.994 7.651 599 HE3 MET 70 HE3 MET 70 8.363 35.053 9.143 600 H GLN 71 H GLN 71 6.438 33.284 4.527 601 HA GLN 71 HA GLN 71 5.805 34.695 2.188 602 HB2 GLN 71 HB2 GLN 71 7.355 32.230 2.850 603 HB3 GLN 71 HB3 GLN 71 6.788 32.318 1.196 604 HG2 GLN 71 HG2 GLN 71 8.974 33.170 1.168 605 HG3 GLN 71 HG3 GLN 71 7.918 34.556 0.997 606 HE21 GLN 71 HE21 GLN 71 7.360 35.033 3.791 607 HE22 GLN 71 HE22 GLN 71 8.831 35.507 4.536 608 H PHE 72 H PHE 72 4.205 32.051 3.718 609 HA PHE 72 HA PHE 72 2.752 31.112 1.416 610 HB2 PHE 72 HB2 PHE 72 2.150 30.601 4.357 611 HB3 PHE 72 HB3 PHE 72 1.632 29.626 2.983 612 HD1 PHE 72 HD1 PHE 72 4.380 29.686 1.510 613 HD2 PHE 72 HD2 PHE 72 3.281 28.834 5.551 614 HE1 PHE 72 HE1 PHE 72 6.372 28.283 1.764 615 HE2 PHE 72 HE2 PHE 72 5.274 27.431 5.783 616 HZ PHE 72 HZ PHE 72 6.824 27.153 3.896 617 H PHE 73 H PHE 73 2.309 33.672 3.729 618 HA PHE 73 HA PHE 73 -0.543 33.985 3.214 619 HB2 PHE 73 HB2 PHE 73 1.369 35.795 4.751 620 HB3 PHE 73 HB3 PHE 73 -0.391 35.926 4.741 621 HD1 PHE 73 HD1 PHE 73 -1.456 33.326 5.188 622 HD2 PHE 73 HD2 PHE 73 2.136 34.987 6.797 623 HE1 PHE 73 HE1 PHE 73 -1.559 31.755 7.070 624 HE2 PHE 73 HE2 PHE 73 2.015 33.413 8.660 625 HZ PHE 73 HZ PHE 73 0.175 31.790 8.811 626 H GLU 74 H GLU 74 2.526 35.607 2.317 627 HA GLU 74 HA GLU 74 1.245 37.599 0.683 628 HB2 GLU 74 HB2 GLU 74 3.436 38.235 -0.064 629 HB3 GLU 74 HB3 GLU 74 3.576 37.814 1.638 630 HG2 GLU 74 HG2 GLU 74 4.535 35.640 1.044 631 HG3 GLU 74 HG3 GLU 74 4.356 36.003 -0.672 632 H THR 75 H THR 75 2.122 34.268 0.165 633 HA THR 75 HA THR 75 1.865 34.390 -2.739 634 HB THR 75 HB THR 75 2.331 32.022 -0.872 635 HG1 THR 75 HG1 THR 75 4.029 33.677 -1.216 636 HG21 THR 75 HG21 THR 75 1.237 31.206 -2.925 637 HG22 THR 75 HG22 THR 75 2.936 30.730 -2.909 638 HG23 THR 75 HG23 THR 75 2.407 32.079 -3.918 639 H PHE 76 H PHE 76 0.028 33.072 0.051 640 HA PHE 76 HA PHE 76 -2.296 32.535 -1.740 641 HB2 PHE 76 HB2 PHE 76 -1.577 31.078 0.843 642 HB3 PHE 76 HB3 PHE 76 -2.954 30.725 -0.187 643 HD1 PHE 76 HD1 PHE 76 -2.329 30.145 -2.724 644 HD2 PHE 76 HD2 PHE 76 0.321 29.743 0.613 645 HE1 PHE 76 HE1 PHE 76 -1.014 28.474 -3.960 646 HE2 PHE 76 HE2 PHE 76 1.632 28.082 -0.632 647 HZ PHE 76 HZ PHE 76 0.966 27.442 -2.918 648 H GLY 77 H GLY 77 -1.721 32.897 1.797 649 HA2 GLY 77 HA2 GLY 77 -2.569 34.338 3.375 650 HA3 GLY 77 HA3 GLY 77 -3.204 35.339 2.083 651 H ASP 78 H ASP 78 -5.214 34.724 1.110 652 HA ASP 78 HA ASP 78 -7.304 34.188 2.933 653 HB2 ASP 78 HB2 ASP 78 -7.369 34.104 -0.117 654 HB3 ASP 78 HB3 ASP 78 -8.787 34.179 0.927 655 H ARG 79 H ARG 79 -5.436 32.125 0.876 656 HA ARG 79 HA ARG 79 -7.288 29.907 0.863 657 HB2 ARG 79 HB2 ARG 79 -4.414 30.138 -0.115 658 HB3 ARG 79 HB3 ARG 79 -5.424 28.713 -0.331 659 HG2 ARG 79 HG2 ARG 79 -5.958 31.465 -1.489 660 HG3 ARG 79 HG3 ARG 79 -5.340 30.061 -2.370 661 HD2 ARG 79 HD2 ARG 79 -7.475 28.850 -1.753 662 HD3 ARG 79 HD3 ARG 79 -8.084 30.380 -1.105 663 HE ARG 79 HE ARG 79 -7.184 30.653 -3.811 664 HH11 ARG 79 HH11 ARG 79 -9.896 29.528 -1.891 665 HH12 ARG 79 HH12 ARG 79 -11.048 29.720 -3.174 666 HH21 ARG 79 HH21 ARG 79 -8.690 30.866 -5.509 667 HH22 ARG 79 HH22 ARG 79 -10.360 30.461 -5.240 668 H VAL 80 H VAL 80 -4.459 30.852 2.796 669 HA VAL 80 HA VAL 80 -3.802 28.223 3.737 670 HB VAL 80 HB VAL 80 -3.183 30.856 5.149 671 HG11 VAL 80 HG11 VAL 80 -1.719 28.192 5.226 672 HG12 VAL 80 HG12 VAL 80 -2.708 28.870 6.523 673 HG13 VAL 80 HG13 VAL 80 -1.209 29.673 6.044 674 HG21 VAL 80 HG21 VAL 80 -1.065 30.931 3.876 675 HG22 VAL 80 HG22 VAL 80 -2.465 31.037 2.804 676 HG23 VAL 80 HG23 VAL 80 -1.574 29.519 2.943 677 H PHE 81 H PHE 81 -4.323 27.193 5.775 678 HA PHE 81 HA PHE 81 -7.016 27.505 6.561 679 HB2 PHE 81 HB2 PHE 81 -6.726 25.667 8.062 680 HB3 PHE 81 HB3 PHE 81 -5.770 25.340 6.632 681 HD1 PHE 81 HD1 PHE 81 -5.604 26.106 10.253 682 HD2 PHE 81 HD2 PHE 81 -3.348 25.112 6.768 683 HE1 PHE 81 HE1 PHE 81 -3.696 25.502 11.669 684 HE2 PHE 81 HE2 PHE 81 -1.438 24.517 8.196 685 HZ PHE 81 HZ PHE 81 -1.605 24.710 10.641 686 H LEU 82 H LEU 82 -4.281 29.133 7.700 687 HA LEU 82 HA LEU 82 -5.856 30.429 9.802 688 HB2 LEU 82 HB2 LEU 82 -4.259 30.135 11.500 689 HB3 LEU 82 HB3 LEU 82 -4.374 28.557 10.769 690 HG LEU 82 HG LEU 82 -2.085 30.536 10.352 691 HD11 LEU 82 HD11 LEU 82 -2.100 29.608 12.617 692 HD12 LEU 82 HD12 LEU 82 -0.733 28.995 11.693 693 HD13 LEU 82 HD13 LEU 82 -2.144 27.966 11.967 694 HD21 LEU 82 HD21 LEU 82 -0.905 28.712 9.217 695 HD22 LEU 82 HD22 LEU 82 -2.386 29.135 8.365 696 HD23 LEU 82 HD23 LEU 82 -2.331 27.678 9.358 697 H THR 83 H THR 83 -5.035 32.584 10.336 698 HA THR 83 HA THR 83 -3.503 33.802 8.127 699 HB THR 83 HB THR 83 -5.655 34.896 8.763 700 HG1 THR 83 HG1 THR 83 -4.690 37.040 8.986 701 HG21 THR 83 HG21 THR 83 -4.259 35.559 11.378 702 HG22 THR 83 HG22 THR 83 -5.628 34.459 11.198 703 HG23 THR 83 HG23 THR 83 -5.826 36.179 10.852 704 H LYS 84 H LYS 84 -2.132 35.794 9.111 705 HA LYS 84 HA LYS 84 0.135 34.593 10.290 706 HB2 LYS 84 HB2 LYS 84 0.107 36.520 8.674 707 HB3 LYS 84 HB3 LYS 84 -0.482 37.547 9.971 708 HG2 LYS 84 HG2 LYS 84 1.601 37.230 11.213 709 HG3 LYS 84 HG3 LYS 84 2.196 36.120 9.973 710 HD2 LYS 84 HD2 LYS 84 1.528 39.065 9.533 711 HD3 LYS 84 HD3 LYS 84 3.157 38.414 9.730 712 HE2 LYS 84 HE2 LYS 84 2.902 37.106 7.653 713 HE3 LYS 84 HE3 LYS 84 1.242 37.679 7.477 714 HZ1 LYS 84 HZ1 LYS 84 2.056 39.911 7.185 715 HZ2 LYS 84 HZ2 LYS 84 2.804 38.882 6.075 716 HZ3 LYS 84 HZ3 LYS 84 3.652 39.410 7.436 717 H ASP 85 H ASP 85 -2.547 36.398 11.648 718 HA ASP 85 HA ASP 85 -1.577 36.858 14.289 719 HB2 ASP 85 HB2 ASP 85 -4.456 36.347 13.389 720 HB3 ASP 85 HB3 ASP 85 -3.966 37.056 14.928 721 H GLU 86 H GLU 86 -3.570 34.227 12.932 722 HA GLU 86 HA GLU 86 -3.631 32.592 15.222 723 HB2 GLU 86 HB2 GLU 86 -4.195 32.176 12.307 724 HB3 GLU 86 HB3 GLU 86 -3.954 30.738 13.279 725 HG2 GLU 86 HG2 GLU 86 -6.312 31.223 13.075 726 HG3 GLU 86 HG3 GLU 86 -5.791 31.375 14.747 727 H LEU 87 H LEU 87 -1.241 32.960 12.685 728 HA LEU 87 HA LEU 87 0.324 30.645 13.206 729 HB2 LEU 87 HB2 LEU 87 0.585 31.779 11.084 730 HB3 LEU 87 HB3 LEU 87 0.981 33.294 11.879 731 HG LEU 87 HG LEU 87 3.103 32.213 12.743 732 HD11 LEU 87 HD11 LEU 87 2.402 29.962 10.846 733 HD12 LEU 87 HD12 LEU 87 2.472 29.871 12.610 734 HD13 LEU 87 HD13 LEU 87 3.941 30.179 11.689 735 HD21 LEU 87 HD21 LEU 87 3.090 33.710 10.779 736 HD22 LEU 87 HD22 LEU 87 2.907 32.300 9.729 737 HD23 LEU 87 HD23 LEU 87 4.358 32.490 10.711 738 H LYS 88 H LYS 88 0.693 34.070 14.260 739 HA LYS 88 HA LYS 88 3.137 33.628 15.621 740 HB2 LYS 88 HB2 LYS 88 2.713 35.908 16.708 741 HB3 LYS 88 HB3 LYS 88 2.815 35.859 14.961 742 HG2 LYS 88 HG2 LYS 88 1.051 37.333 15.309 743 HG3 LYS 88 HG3 LYS 88 0.224 35.823 15.003 744 HD2 LYS 88 HD2 LYS 88 -0.906 36.904 16.805 745 HD3 LYS 88 HD3 LYS 88 -0.037 35.527 17.488 746 HE2 LYS 88 HE2 LYS 88 1.728 37.009 18.274 747 HE3 LYS 88 HE3 LYS 88 0.933 38.387 17.521 748 HZ1 LYS 88 HZ1 LYS 88 -0.942 38.076 18.986 749 HZ2 LYS 88 HZ2 LYS 88 0.473 38.265 19.891 750 HZ3 LYS 88 HZ3 LYS 88 -0.213 36.731 19.698 751 H GLU 89 H GLU 89 -0.224 33.554 16.769 752 HA GLU 89 HA GLU 89 0.530 33.099 19.533 753 HB2 GLU 89 HB2 GLU 89 -1.845 32.870 19.985 754 HB3 GLU 89 HB3 GLU 89 -1.576 34.257 18.938 755 HG2 GLU 89 HG2 GLU 89 -2.301 32.884 16.987 756 HG3 GLU 89 HG3 GLU 89 -2.647 31.548 18.087 757 H TYR 90 H TYR 90 -0.112 31.062 16.734 758 HA TYR 90 HA TYR 90 -0.285 28.534 18.041 759 HB2 TYR 90 HB2 TYR 90 -0.907 28.640 15.708 760 HB3 TYR 90 HB3 TYR 90 0.636 29.343 15.252 761 HD1 TYR 90 HD1 TYR 90 -0.808 26.169 16.700 762 HD2 TYR 90 HD2 TYR 90 2.307 27.928 14.355 763 HE1 TYR 90 HE1 TYR 90 0.036 23.933 16.139 764 HE2 TYR 90 HE2 TYR 90 3.159 25.688 13.802 765 HH TYR 90 HH TYR 90 3.070 23.389 14.772 766 H MET 91 H MET 91 2.425 30.532 16.977 767 HA MET 91 HA MET 91 4.448 28.597 17.683 768 HB2 MET 91 HB2 MET 91 4.646 31.528 16.879 769 HB3 MET 91 HB3 MET 91 6.037 30.480 17.144 770 HG2 MET 91 HG2 MET 91 5.225 28.979 15.337 771 HG3 MET 91 HG3 MET 91 3.896 30.094 15.031 772 HE1 MET 91 HE1 MET 91 5.418 32.963 15.357 773 HE2 MET 91 HE2 MET 91 4.260 32.578 14.083 774 HE3 MET 91 HE3 MET 91 5.839 33.245 13.668 775 H LYS 92 H LYS 92 2.924 31.399 19.254 776 HA LYS 92 HA LYS 92 4.569 31.355 21.607 777 HB2 LYS 92 HB2 LYS 92 1.722 32.399 21.303 778 HB3 LYS 92 HB3 LYS 92 2.751 32.663 22.704 779 HG2 LYS 92 HG2 LYS 92 3.186 33.758 19.911 780 HG3 LYS 92 HG3 LYS 92 2.643 34.655 21.318 781 HD2 LYS 92 HD2 LYS 92 4.854 35.276 21.392 782 HD3 LYS 92 HD3 LYS 92 5.014 33.775 22.299 783 HE2 LYS 92 HE2 LYS 92 5.736 32.608 20.245 784 HE3 LYS 92 HE3 LYS 92 5.543 34.100 19.317 785 HZ1 LYS 92 HZ1 LYS 92 7.837 33.764 19.914 786 HZ2 LYS 92 HZ2 LYS 92 7.442 33.648 21.553 787 HZ3 LYS 92 HZ3 LYS 92 7.240 35.116 20.739 788 H SER 93 H SER 93 1.796 29.538 20.522 789 HA SER 93 HA SER 93 0.898 28.441 22.969 790 HB2 SER 93 HB2 SER 93 -0.323 28.372 20.741 791 HB3 SER 93 HB3 SER 93 0.799 27.122 20.213 792 HG SER 93 HG SER 93 0.025 25.910 22.105 793 H GLN 94 H GLN 94 3.582 27.647 20.871 794 HA GLN 94 HA GLN 94 4.038 24.974 21.784 795 HB2 GLN 94 HB2 GLN 94 5.963 26.823 20.306 796 HB3 GLN 94 HB3 GLN 94 6.069 25.066 20.404 797 HG2 GLN 94 HG2 GLN 94 3.949 26.685 18.961 798 HG3 GLN 94 HG3 GLN 94 5.242 25.746 18.221 799 HE21 GLN 94 HE21 GLN 94 2.271 25.605 18.007 800 HE22 GLN 94 HE22 GLN 94 1.878 23.954 18.336 801 H GLU 95 H GLU 95 4.959 28.096 22.979 802 HA GLU 95 HA GLU 95 7.152 26.982 24.624 803 HB2 GLU 95 HB2 GLU 95 7.820 29.365 24.993 804 HB3 GLU 95 HB3 GLU 95 7.848 28.887 23.303 805 HG2 GLU 95 HG2 GLU 95 5.674 30.020 22.949 806 HG3 GLU 95 HG3 GLU 95 5.661 30.516 24.636 807 H ARG 96 H ARG 96 4.008 28.641 24.893 808 HA ARG 96 HA ARG 96 4.259 29.003 27.776 809 HB2 ARG 96 HB2 ARG 96 2.058 30.057 27.691 810 HB3 ARG 96 HB3 ARG 96 3.076 30.692 26.404 811 HG2 ARG 96 HG2 ARG 96 1.916 29.162 24.797 812 HG3 ARG 96 HG3 ARG 96 0.832 28.671 26.100 813 HD2 ARG 96 HD2 ARG 96 1.141 31.511 25.058 814 HD3 ARG 96 HD3 ARG 96 -0.147 30.395 24.592 815 HE ARG 96 HE ARG 96 0.239 31.328 27.384 816 HH11 ARG 96 HH11 ARG 96 -1.908 30.716 24.660 817 HH12 ARG 96 HH12 ARG 96 -3.331 31.193 25.528 818 HH21 ARG 96 HH21 ARG 96 -1.641 31.934 28.501 819 HH22 ARG 96 HH22 ARG 96 -3.174 31.898 27.692 820 H TRP 97 H TRP 97 2.590 26.757 25.591 821 HA TRP 97 HA TRP 97 1.460 25.262 27.870 822 HB2 TRP 97 HB2 TRP 97 1.052 24.809 24.884 823 HB3 TRP 97 HB3 TRP 97 0.199 23.976 26.183 824 HD1 TRP 97 HD1 TRP 97 -0.314 26.695 23.847 825 HE1 TRP 97 HE1 TRP 97 -2.182 28.284 24.619 826 HE3 TRP 97 HE3 TRP 97 -0.717 25.184 28.726 827 HZ2 TRP 97 HZ2 TRP 97 -3.628 28.838 26.975 828 HZ3 TRP 97 HZ3 TRP 97 -2.371 26.297 30.170 829 HH2 TRP 97 HH2 TRP 97 -3.799 28.087 29.312 830 H GLY 98 H GLY 98 3.586 24.861 25.063 831 HA2 GLY 98 HA2 GLY 98 4.630 22.298 25.968 832 HA3 GLY 98 HA3 GLY 98 5.180 23.249 24.593 833 H ARG 99 H ARG 99 7.336 22.721 25.338 834 HA ARG 99 HA ARG 99 8.444 24.776 27.056 835 HB2 ARG 99 HB2 ARG 99 7.778 22.851 28.626 836 HB3 ARG 99 HB3 ARG 99 8.955 21.845 27.790 837 HG2 ARG 99 HG2 ARG 99 10.770 23.351 28.518 838 HG3 ARG 99 HG3 ARG 99 9.596 24.400 29.320 839 HD2 ARG 99 HD2 ARG 99 8.952 22.437 30.773 840 HD3 ARG 99 HD3 ARG 99 10.285 21.529 30.049 841 HE ARG 99 HE ARG 99 11.475 23.801 30.942 842 HH11 ARG 99 HH11 ARG 99 9.510 21.377 32.588 843 HH12 ARG 99 HH12 ARG 99 10.243 21.680 34.131 844 HH21 ARG 99 HH21 ARG 99 12.382 24.193 32.945 845 HH22 ARG 99 HH22 ARG 99 11.871 23.283 34.334 846 H ARG 100 H ARG 100 10.740 24.911 26.818 847 HA ARG 100 HA ARG 100 12.739 24.860 25.832 848 HB2 ARG 100 HB2 ARG 100 12.756 22.419 26.185 849 HB3 ARG 100 HB3 ARG 100 11.922 22.177 24.654 850 HG2 ARG 100 HG2 ARG 100 13.891 23.208 23.489 851 HG3 ARG 100 HG3 ARG 100 14.722 23.282 25.046 852 HD2 ARG 100 HD2 ARG 100 13.736 20.756 23.682 853 HD3 ARG 100 HD3 ARG 100 15.403 21.332 23.697 854 HE ARG 100 HE ARG 100 14.378 21.012 26.344 855 HH11 ARG 100 HH11 ARG 100 15.726 19.181 23.648 856 HH12 ARG 100 HH12 ARG 100 16.266 17.879 24.654 857 HH21 ARG 100 HH21 ARG 100 15.108 19.316 27.640 858 HH22 ARG 100 HH22 ARG 100 15.924 17.960 26.929 859 H ARG 101 H ARG 101 13.238 26.231 24.305 860 HA ARG 101 HA ARG 101 12.274 26.069 21.568 861 HB2 ARG 101 HB2 ARG 101 10.419 27.240 22.792 862 HB3 ARG 101 HB3 ARG 101 11.566 28.437 23.381 863 HG2 ARG 101 HG2 ARG 101 11.978 29.104 20.983 864 HG3 ARG 101 HG3 ARG 101 10.674 28.014 20.508 865 HD2 ARG 101 HD2 ARG 101 9.056 29.320 21.752 866 HD3 ARG 101 HD3 ARG 101 10.331 30.330 22.442 867 HE ARG 101 HE ARG 101 10.687 31.328 20.327 868 HH11 ARG 101 HH11 ARG 101 7.863 29.247 20.335 869 HH12 ARG 101 HH12 ARG 101 7.242 29.875 18.850 870 HH21 ARG 101 HH21 ARG 101 9.862 32.188 18.436 871 HH22 ARG 101 HH22 ARG 101 8.392 31.566 17.762 872 H GLU 102 H GLU 102 13.269 27.999 20.304 873 HA GLU 102 HA GLU 102 14.822 29.484 19.694 874 HB2 GLU 102 HB2 GLU 102 15.749 29.402 22.594 875 HB3 GLU 102 HB3 GLU 102 16.507 30.418 21.370 876 HG2 GLU 102 HG2 GLU 102 14.404 31.640 21.044 877 HG3 GLU 102 HG3 GLU 102 13.589 30.592 22.210 878 H SER 103 H SER 103 16.013 28.573 18.242 879 HA SER 103 HA SER 103 18.512 27.222 18.940 880 HB2 SER 103 HB2 SER 103 16.459 26.018 17.011 881 HB3 SER 103 HB3 SER 103 18.103 25.417 17.255 882 HG SER 103 HG SER 103 17.413 25.246 19.569 883 H LYS 104 H LYS 104 20.149 27.703 17.482 884 HA LYS 104 HA LYS 104 19.855 29.871 15.675 885 HB2 LYS 104 HB2 LYS 104 22.097 27.813 15.931 886 HB3 LYS 104 HB3 LYS 104 22.194 29.274 14.951 887 HG2 LYS 104 HG2 LYS 104 21.833 29.199 17.971 888 HG3 LYS 104 HG3 LYS 104 23.344 29.529 17.115 889 HD2 LYS 104 HD2 LYS 104 22.338 31.562 16.112 890 HD3 LYS 104 HD3 LYS 104 20.819 31.237 16.951 891 HE2 LYS 104 HE2 LYS 104 21.958 31.535 19.125 892 HE3 LYS 104 HE3 LYS 104 23.484 31.832 18.291 893 HZ1 LYS 104 HZ1 LYS 104 22.535 33.800 17.297 894 HZ2 LYS 104 HZ2 LYS 104 22.392 33.878 18.980 895 HZ3 LYS 104 HZ3 LYS 104 21.044 33.500 18.033 896 H LYS 105 H LYS 105 19.832 29.905 13.438 897 HA LYS 105 HA LYS 105 18.977 29.428 11.418 898 HB2 LYS 105 HB2 LYS 105 20.542 27.468 11.320 899 HB3 LYS 105 HB3 LYS 105 19.312 26.475 12.071 900 HG2 LYS 105 HG2 LYS 105 18.939 25.877 9.891 901 HG3 LYS 105 HG3 LYS 105 17.866 27.262 9.947 902 HD2 LYS 105 HD2 LYS 105 20.739 27.372 8.940 903 HD3 LYS 105 HD3 LYS 105 19.346 27.130 7.891 904 HE2 LYS 105 HE2 LYS 105 18.477 29.352 8.534 905 HE3 LYS 105 HE3 LYS 105 19.851 29.580 9.616 906 HZ1 LYS 105 HZ1 LYS 105 20.212 30.708 7.549 907 HZ2 LYS 105 HZ2 LYS 105 19.970 29.284 6.672 908 HZ3 LYS 105 HZ3 LYS 105 21.312 29.432 7.688 909 H LYS 106 H LYS 106 16.949 28.936 10.468 910 HA LYS 106 HA LYS 106 14.789 28.493 12.444 911 HB2 LYS 106 HB2 LYS 106 13.276 29.702 10.886 912 HB3 LYS 106 HB3 LYS 106 14.618 30.711 11.406 913 HG2 LYS 106 HG2 LYS 106 14.653 29.256 8.759 914 HG3 LYS 106 HG3 LYS 106 13.881 30.827 8.928 915 HD2 LYS 106 HD2 LYS 106 16.366 31.319 10.049 916 HD3 LYS 106 HD3 LYS 106 16.766 30.087 8.845 917 HE2 LYS 106 HE2 LYS 106 15.257 32.645 8.240 918 HE3 LYS 106 HE3 LYS 106 16.997 32.446 8.030 919 HZ1 LYS 106 HZ1 LYS 106 16.471 30.596 6.468 920 HZ2 LYS 106 HZ2 LYS 106 15.959 32.119 5.948 921 HZ3 LYS 106 HZ3 LYS 106 14.835 31.026 6.572 922 H LYS 107 H LYS 107 12.783 27.514 11.414 923 HA LYS 107 HA LYS 107 13.627 24.924 10.362 924 HB2 LYS 107 HB2 LYS 107 11.775 25.610 12.310 925 HB3 LYS 107 HB3 LYS 107 10.716 25.352 10.935 926 HG2 LYS 107 HG2 LYS 107 12.699 23.355 12.067 927 HG3 LYS 107 HG3 LYS 107 10.948 23.313 12.288 928 HD2 LYS 107 HD2 LYS 107 10.595 22.800 9.957 929 HD3 LYS 107 HD3 LYS 107 12.278 23.142 9.559 930 HE2 LYS 107 HE2 LYS 107 11.940 20.753 9.593 931 HE3 LYS 107 HE3 LYS 107 12.979 21.215 10.942 932 HZ1 LYS 107 HZ1 LYS 107 11.352 19.613 11.634 933 HZ2 LYS 107 HZ2 LYS 107 10.085 20.581 11.082 934 HZ3 LYS 107 HZ3 LYS 107 11.026 21.091 12.388 935 H LEU 108 H LEU 108 13.106 24.152 8.394 936 HA LEU 108 HA LEU 108 12.061 25.839 6.319 937 HB2 LEU 108 HB2 LEU 108 13.815 23.970 6.065 938 HB3 LEU 108 HB3 LEU 108 12.512 22.820 6.221 939 HG LEU 108 HG LEU 108 13.297 23.182 3.871 940 HD11 LEU 108 HD11 LEU 108 10.404 23.955 4.243 941 HD12 LEU 108 HD12 LEU 108 11.052 22.311 4.243 942 HD13 LEU 108 HD13 LEU 108 11.144 23.289 2.781 943 HD21 LEU 108 HD21 LEU 108 13.832 25.556 3.986 944 HD22 LEU 108 HD22 LEU 108 12.119 25.960 4.132 945 HD23 LEU 108 HD23 LEU 108 12.733 25.218 2.652 946 H TRP 109 H TRP 109 9.942 26.371 6.506 947 HA TRP 109 HA TRP 109 7.882 24.408 7.183 948 HB2 TRP 109 HB2 TRP 109 7.724 27.369 6.482 949 HB3 TRP 109 HB3 TRP 109 6.317 26.372 6.818 950 HD1 TRP 109 HD1 TRP 109 9.603 27.310 8.680 951 HE1 TRP 109 HE1 TRP 109 9.033 27.715 11.147 952 HE3 TRP 109 HE3 TRP 109 4.609 26.229 8.542 953 HZ2 TRP 109 HZ2 TRP 109 6.779 27.601 12.827 954 HZ3 TRP 109 HZ3 TRP 109 3.307 26.412 10.630 955 HH2 TRP 109 HH2 TRP 109 4.373 27.091 12.733 956 H MET 110 H MET 110 5.985 24.255 5.701 957 HA MET 110 HA MET 110 6.528 24.460 2.855 958 HB2 MET 110 HB2 MET 110 5.903 21.978 2.571 959 HB3 MET 110 HB3 MET 110 7.506 22.312 3.202 960 HG2 MET 110 HG2 MET 110 6.834 21.728 5.436 961 HG3 MET 110 HG3 MET 110 5.146 21.591 4.948 962 HE1 MET 110 HE1 MET 110 5.098 18.349 2.817 963 HE2 MET 110 HE2 MET 110 5.193 20.016 2.239 964 HE3 MET 110 HE3 MET 110 4.139 19.608 3.599 965 H ALA 111 H ALA 111 4.719 24.890 1.756 966 HA ALA 111 HA ALA 111 2.141 24.860 3.196 967 HB1 ALA 111 HB1 ALA 111 1.478 26.632 1.589 968 HB2 ALA 111 HB2 ALA 111 3.090 26.560 0.862 969 HB3 ALA 111 HB3 ALA 111 2.898 27.079 2.535 970 H ILE 112 H ILE 112 1.274 22.912 2.682 971 HA ILE 112 HA ILE 112 1.327 21.764 0.028 972 HB ILE 112 HB ILE 112 -0.480 20.996 2.367 973 HG12 ILE 112 HG12 ILE 112 2.276 19.851 1.745 974 HG13 ILE 112 HG13 ILE 112 1.923 20.961 3.067 975 HG21 ILE 112 HG21 ILE 112 -1.165 20.054 0.203 976 HG22 ILE 112 HG22 ILE 112 -0.583 18.786 1.281 977 HG23 ILE 112 HG23 ILE 112 0.449 19.372 -0.026 978 HD11 ILE 112 HD11 ILE 112 0.837 18.157 2.755 979 HD12 ILE 112 HD12 ILE 112 0.435 19.268 4.067 980 HD13 ILE 112 HD13 ILE 112 2.092 18.690 3.875 981 H GLU 113 H GLU 113 0.020 22.564 -1.580 982 HA GLU 113 HA GLU 113 -2.173 24.383 -0.926 983 HB2 GLU 113 HB2 GLU 113 -0.383 24.578 -2.835 984 HB3 GLU 113 HB3 GLU 113 -1.372 23.428 -3.701 985 HG2 GLU 113 HG2 GLU 113 -2.307 26.158 -2.780 986 HG3 GLU 113 HG3 GLU 113 -1.658 25.798 -4.375 987 H LEU 114 H LEU 114 -4.370 23.850 -1.098 988 HA LEU 114 HA LEU 114 -5.048 21.034 -1.715 989 HB2 LEU 114 HB2 LEU 114 -5.627 22.649 0.750 990 HB3 LEU 114 HB3 LEU 114 -6.925 21.622 0.185 991 HG LEU 114 HG LEU 114 -5.762 20.405 1.862 992 HD11 LEU 114 HD11 LEU 114 -4.992 18.438 0.623 993 HD12 LEU 114 HD12 LEU 114 -4.987 19.365 -0.868 994 HD13 LEU 114 HD13 LEU 114 -6.496 19.086 0.004 995 HD21 LEU 114 HD21 LEU 114 -3.358 19.840 1.767 996 HD22 LEU 114 HD22 LEU 114 -3.633 21.578 1.938 997 HD23 LEU 114 HD23 LEU 114 -3.171 20.909 0.371 998 H GLU 115 H GLU 115 -6.472 20.847 -3.271 999 HA GLU 115 HA GLU 115 -8.623 22.862 -3.616 1000 HB2 GLU 115 HB2 GLU 115 -8.576 22.581 -6.003 1001 HB3 GLU 115 HB3 GLU 115 -6.931 22.959 -5.487 1002 HG2 GLU 115 HG2 GLU 115 -6.164 20.758 -5.899 1003 HG3 GLU 115 HG3 GLU 115 -7.801 20.100 -5.952 1004 H ASP 116 H ASP 116 -10.531 21.990 -4.706 1005 HA ASP 116 HA ASP 116 -12.376 20.671 -4.698 1006 HB2 ASP 116 HB2 ASP 116 -11.020 19.661 -6.578 1007 HB3 ASP 116 HB3 ASP 116 -10.403 18.471 -5.438 1008 H VAL 117 H VAL 117 -11.876 21.116 -2.241 1009 HA VAL 117 HA VAL 117 -11.278 18.816 -0.648 1010 HB VAL 117 HB VAL 117 -12.492 21.438 0.296 1011 HG11 VAL 117 HG11 VAL 117 -11.042 19.236 1.814 1012 HG12 VAL 117 HG12 VAL 117 -12.775 19.564 1.877 1013 HG13 VAL 117 HG13 VAL 117 -11.634 20.750 2.503 1014 HG21 VAL 117 HG21 VAL 117 -10.187 22.115 0.882 1015 HG22 VAL 117 HG22 VAL 117 -10.337 21.844 -0.859 1016 HG23 VAL 117 HG23 VAL 117 -9.554 20.632 0.159 1017 H LYS 118 H LYS 118 -12.641 17.220 -0.850 1018 HA LYS 118 HA LYS 118 -15.502 17.496 -1.045 1019 HB2 LYS 118 HB2 LYS 118 -13.799 15.675 -2.086 1020 HB3 LYS 118 HB3 LYS 118 -14.163 14.820 -0.596 1021 HG2 LYS 118 HG2 LYS 118 -15.636 14.030 -2.361 1022 HG3 LYS 118 HG3 LYS 118 -16.586 14.911 -1.161 1023 HD2 LYS 118 HD2 LYS 118 -17.281 15.490 -3.474 1024 HD3 LYS 118 HD3 LYS 118 -16.653 16.897 -2.613 1025 HE2 LYS 118 HE2 LYS 118 -14.454 16.560 -3.780 1026 HE3 LYS 118 HE3 LYS 118 -15.179 15.244 -4.703 1027 HZ1 LYS 118 HZ1 LYS 118 -16.112 18.062 -4.731 1028 HZ2 LYS 118 HZ2 LYS 118 -16.714 16.798 -5.681 1029 HZ3 LYS 118 HZ3 LYS 118 -15.131 17.347 -5.906 1030 H LYS 119 H LYS 119 -17.000 16.933 0.494 1031 HA LYS 119 HA LYS 119 -16.106 16.386 3.256 1032 HB2 LYS 119 HB2 LYS 119 -18.596 17.582 2.020 1033 HB3 LYS 119 HB3 LYS 119 -18.758 16.765 3.564 1034 HG2 LYS 119 HG2 LYS 119 -16.820 19.042 3.069 1035 HG3 LYS 119 HG3 LYS 119 -18.443 19.252 3.716 1036 HD2 LYS 119 HD2 LYS 119 -16.175 17.678 4.999 1037 HD3 LYS 119 HD3 LYS 119 -16.796 19.239 5.525 1038 HE2 LYS 119 HE2 LYS 119 -19.028 18.063 5.932 1039 HE3 LYS 119 HE3 LYS 119 -18.165 16.544 5.679 1040 HZ1 LYS 119 HZ1 LYS 119 -16.653 17.228 7.466 1041 HZ2 LYS 119 HZ2 LYS 119 -18.242 16.992 7.982 1042 HZ3 LYS 119 HZ3 LYS 119 -17.640 18.557 7.773 1043 H TYR 120 H TYR 120 -16.419 14.415 4.133 1044 HA TYR 120 HA TYR 120 -17.869 12.324 2.708 1045 HB2 TYR 120 HB2 TYR 120 -16.142 12.371 5.197 1046 HB3 TYR 120 HB3 TYR 120 -17.194 10.997 4.879 1047 HD1 TYR 120 HD1 TYR 120 -15.546 12.717 2.025 1048 HD2 TYR 120 HD2 TYR 120 -15.261 9.490 4.816 1049 HE1 TYR 120 HE1 TYR 120 -13.804 11.667 0.649 1050 HE2 TYR 120 HE2 TYR 120 -13.524 8.453 3.436 1051 HH TYR 120 HH TYR 120 -11.927 10.058 0.949 1052 H ASP 121 H ASP 121 -19.956 13.249 2.783 1053 HA ASP 121 HA ASP 121 -21.417 13.653 5.216 1054 HB2 ASP 121 HB2 ASP 121 -22.116 14.593 2.986 1055 HB3 ASP 121 HB3 ASP 121 -22.485 12.964 2.431 1056 H LYS 122 H LYS 122 -20.547 10.938 3.254 1057 HA LYS 122 HA LYS 122 -22.192 8.981 4.607 1058 HB2 LYS 122 HB2 LYS 122 -20.892 7.352 3.247 1059 HB3 LYS 122 HB3 LYS 122 -21.573 8.643 2.265 1060 HG2 LYS 122 HG2 LYS 122 -19.273 9.768 2.376 1061 HG3 LYS 122 HG3 LYS 122 -18.679 8.270 3.094 1062 HD2 LYS 122 HD2 LYS 122 -18.190 8.217 0.732 1063 HD3 LYS 122 HD3 LYS 122 -19.465 7.038 1.056 1064 HE2 LYS 122 HE2 LYS 122 -21.154 8.564 0.175 1065 HE3 LYS 122 HE3 LYS 122 -19.954 9.842 -0.020 1066 HZ1 LYS 122 HZ1 LYS 122 -18.806 8.390 -1.621 1067 HZ2 LYS 122 HZ2 LYS 122 -20.363 8.825 -2.112 1068 HZ3 LYS 122 HZ3 LYS 122 -20.074 7.277 -1.496 1069 HA PRO 123 HA PRO 123 -19.263 8.542 8.019 1070 HB2 PRO 123 HB2 PRO 123 -20.375 6.421 9.303 1071 HB3 PRO 123 HB3 PRO 123 -21.164 8.007 9.256 1072 HG2 PRO 123 HG2 PRO 123 -21.717 5.563 7.578 1073 HG3 PRO 123 HG3 PRO 123 -22.871 6.669 8.356 1074 HD2 PRO 123 HD2 PRO 123 -22.168 6.820 5.678 1075 HD3 PRO 123 HD3 PRO 123 -22.739 8.211 6.627 1076 H ILE 124 H ILE 124 -17.391 8.019 6.784 1077 HA ILE 124 HA ILE 124 -16.783 5.143 6.422 1078 HB ILE 124 HB ILE 124 -15.488 7.591 5.159 1079 HG12 ILE 124 HG12 ILE 124 -17.101 5.275 4.009 1080 HG13 ILE 124 HG13 ILE 124 -17.610 6.957 4.112 1081 HG21 ILE 124 HG21 ILE 124 -14.595 4.695 4.861 1082 HG22 ILE 124 HG22 ILE 124 -13.692 5.981 5.663 1083 HG23 ILE 124 HG23 ILE 124 -13.977 6.061 3.926 1084 HD11 ILE 124 HD11 ILE 124 -17.014 6.368 1.849 1085 HD12 ILE 124 HD12 ILE 124 -15.409 5.851 2.361 1086 HD13 ILE 124 HD13 ILE 124 -15.868 7.553 2.472 1087 H LYS 125 H LYS 125 -15.478 4.183 7.744 1088 HA LYS 125 HA LYS 125 -13.912 5.636 9.759 1089 HB2 LYS 125 HB2 LYS 125 -14.886 2.751 9.554 1090 HB3 LYS 125 HB3 LYS 125 -13.699 3.243 10.753 1091 HG2 LYS 125 HG2 LYS 125 -15.852 3.183 11.812 1092 HG3 LYS 125 HG3 LYS 125 -15.358 4.870 11.683 1093 HD2 LYS 125 HD2 LYS 125 -16.852 5.119 9.696 1094 HD3 LYS 125 HD3 LYS 125 -17.361 3.438 9.888 1095 HE2 LYS 125 HE2 LYS 125 -17.786 5.675 11.900 1096 HE3 LYS 125 HE3 LYS 125 -19.019 4.979 10.846 1097 HZ1 LYS 125 HZ1 LYS 125 -17.553 3.549 13.005 1098 HZ2 LYS 125 HZ2 LYS 125 -18.676 2.840 11.960 1099 HZ3 LYS 125 HZ3 LYS 125 -19.169 4.040 13.043 1100 HA PRO 126 HA PRO 126 -10.169 4.988 7.566 1101 HB2 PRO 126 HB2 PRO 126 -8.283 5.241 9.467 1102 HB3 PRO 126 HB3 PRO 126 -9.416 6.562 9.131 1103 HG2 PRO 126 HG2 PRO 126 -9.541 4.477 11.316 1104 HG3 PRO 126 HG3 PRO 126 -9.734 6.238 11.453 1105 HD2 PRO 126 HD2 PRO 126 -11.861 4.519 11.293 1106 HD3 PRO 126 HD3 PRO 126 -11.926 6.184 10.687 1107 H LYS 127 H LYS 127 -8.009 3.801 7.550 1108 HA LYS 127 HA LYS 127 -8.365 0.934 7.949 1109 HB2 LYS 127 HB2 LYS 127 -6.195 2.597 6.620 1110 HB3 LYS 127 HB3 LYS 127 -5.925 0.899 6.977 1111 HG2 LYS 127 HG2 LYS 127 -6.588 0.992 4.713 1112 HG3 LYS 127 HG3 LYS 127 -7.969 0.359 5.611 1113 HD2 LYS 127 HD2 LYS 127 -9.050 2.592 5.518 1114 HD3 LYS 127 HD3 LYS 127 -7.658 3.227 4.627 1115 HE2 LYS 127 HE2 LYS 127 -8.115 1.559 2.818 1116 HE3 LYS 127 HE3 LYS 127 -9.556 1.044 3.697 1117 HZ1 LYS 127 HZ1 LYS 127 -9.075 3.779 2.660 1118 HZ2 LYS 127 HZ2 LYS 127 -10.478 3.235 3.421 1119 HZ3 LYS 127 HZ3 LYS 127 -10.042 2.607 1.917 1120 H ARG 128 H ARG 128 -6.469 3.596 9.288 1121 HA ARG 128 HA ARG 128 -5.612 1.921 11.557 1122 HB2 ARG 128 HB2 ARG 128 -3.284 2.545 11.360 1123 HB3 ARG 128 HB3 ARG 128 -3.786 1.852 9.823 1124 HG2 ARG 128 HG2 ARG 128 -4.010 4.184 8.907 1125 HG3 ARG 128 HG3 ARG 128 -3.376 4.802 10.436 1126 HD2 ARG 128 HD2 ARG 128 -1.925 3.016 8.444 1127 HD3 ARG 128 HD3 ARG 128 -1.579 4.708 8.797 1128 HE ARG 128 HE ARG 128 -0.875 4.021 11.035 1129 HH11 ARG 128 HH11 ARG 128 -1.038 1.445 8.637 1130 HH12 ARG 128 HH12 ARG 128 0.105 0.440 9.470 1131 HH21 ARG 128 HH21 ARG 128 0.616 2.683 12.113 1132 HH22 ARG 128 HH22 ARG 128 1.048 1.148 11.431 1133 H LEU 129 H LEU 129 -4.672 3.216 13.305 1134 HA LEU 129 HA LEU 129 -6.141 5.554 13.940 1135 HB2 LEU 129 HB2 LEU 129 -4.892 5.688 15.984 1136 HB3 LEU 129 HB3 LEU 129 -5.242 3.999 15.684 1137 HG LEU 129 HG LEU 129 -2.524 5.255 15.096 1138 HD11 LEU 129 HD11 LEU 129 -3.358 3.758 17.601 1139 HD12 LEU 129 HD12 LEU 129 -2.977 5.479 17.485 1140 HD13 LEU 129 HD13 LEU 129 -1.719 4.281 17.197 1141 HD21 LEU 129 HD21 LEU 129 -1.696 2.939 15.113 1142 HD22 LEU 129 HD22 LEU 129 -2.923 3.175 13.871 1143 HD23 LEU 129 HD23 LEU 129 -3.339 2.342 15.373 1144 H VAL 130 H VAL 130 -5.654 7.682 13.704 1145 HA VAL 130 HA VAL 130 -3.067 8.431 12.470 1146 HB VAL 130 HB VAL 130 -5.731 9.842 12.037 1147 HG11 VAL 130 HG11 VAL 130 -3.819 11.360 11.803 1148 HG12 VAL 130 HG12 VAL 130 -4.544 11.058 10.223 1149 HG13 VAL 130 HG13 VAL 130 -3.039 10.248 10.672 1150 HG21 VAL 130 HG21 VAL 130 -5.727 8.891 9.745 1151 HG22 VAL 130 HG22 VAL 130 -5.814 7.626 10.973 1152 HG23 VAL 130 HG23 VAL 130 -4.288 7.943 10.143 1153 HA PRO 131 HA PRO 131 -2.903 10.750 16.468 1154 HB2 PRO 131 HB2 PRO 131 -0.027 10.976 15.673 1155 HB3 PRO 131 HB3 PRO 131 -0.730 10.367 17.177 1156 HG2 PRO 131 HG2 PRO 131 0.387 8.690 15.412 1157 HG3 PRO 131 HG3 PRO 131 -1.079 8.230 16.309 1158 HD2 PRO 131 HD2 PRO 131 -0.844 9.261 13.471 1159 HD3 PRO 131 HD3 PRO 131 -1.782 7.880 14.093 1160 H VAL 132 H VAL 132 -1.706 12.945 16.892 1161 HA VAL 132 HA VAL 132 -2.772 14.927 15.201 1162 HB VAL 132 HB VAL 132 -0.548 15.286 17.267 1163 HG11 VAL 132 HG11 VAL 132 -2.494 17.354 16.148 1164 HG12 VAL 132 HG12 VAL 132 -0.764 17.268 15.805 1165 HG13 VAL 132 HG13 VAL 132 -1.320 17.639 17.437 1166 HG21 VAL 132 HG21 VAL 132 -2.522 14.178 18.265 1167 HG22 VAL 132 HG22 VAL 132 -3.567 15.467 17.665 1168 HG23 VAL 132 HG23 VAL 132 -2.343 15.820 18.888 1169 H GLY 133 H GLY 133 0.383 13.409 15.278 1170 HA2 GLY 133 HA2 GLY 133 1.760 15.161 13.486 1171 HA3 GLY 133 HA3 GLY 133 2.246 13.539 13.950 1172 H GLY 134 H GLY 134 -0.602 12.723 12.896 1173 HA2 GLY 134 HA2 GLY 134 -1.724 12.310 10.925 1174 HA3 GLY 134 HA3 GLY 134 -0.544 13.265 10.049 1175 H GLN 135 H GLN 135 -1.645 10.818 9.133 1176 HA GLN 135 HA GLN 135 0.716 9.001 9.111 1177 HB2 GLN 135 HB2 GLN 135 -2.237 8.299 8.709 1178 HB3 GLN 135 HB3 GLN 135 -0.905 7.169 8.481 1179 HG2 GLN 135 HG2 GLN 135 -1.662 8.505 11.092 1180 HG3 GLN 135 HG3 GLN 135 -2.052 6.848 10.620 1181 HE21 GLN 135 HE21 GLN 135 0.471 9.018 11.659 1182 HE22 GLN 135 HE22 GLN 135 1.634 7.804 12.036 1183 H TYR 136 H TYR 136 1.464 8.312 7.103 1184 HA TYR 136 HA TYR 136 0.492 9.588 4.690 1185 HB2 TYR 136 HB2 TYR 136 2.795 7.781 5.357 1186 HB3 TYR 136 HB3 TYR 136 2.173 7.638 3.720 1187 HD1 TYR 136 HD1 TYR 136 1.570 10.207 2.749 1188 HD2 TYR 136 HD2 TYR 136 4.732 9.158 5.435 1189 HE1 TYR 136 HE1 TYR 136 2.838 12.176 2.021 1190 HE2 TYR 136 HE2 TYR 136 6.004 11.133 4.697 1191 HH TYR 136 HH TYR 136 4.640 13.639 2.864 1192 H LEU 137 H LEU 137 -1.352 8.958 3.821 1193 HA LEU 137 HA LEU 137 -2.487 6.323 4.199 1194 HB2 LEU 137 HB2 LEU 137 -3.629 8.778 3.845 1195 HB3 LEU 137 HB3 LEU 137 -3.655 8.227 2.185 1196 HG LEU 137 HG LEU 137 -5.086 7.007 4.575 1197 HD11 LEU 137 HD11 LEU 137 -7.119 7.440 3.279 1198 HD12 LEU 137 HD12 LEU 137 -6.151 8.132 1.971 1199 HD13 LEU 137 HD13 LEU 137 -6.196 8.918 3.551 1200 HD21 LEU 137 HD21 LEU 137 -4.880 5.781 1.801 1201 HD22 LEU 137 HD22 LEU 137 -5.969 5.239 3.083 1202 HD23 LEU 137 HD23 LEU 137 -4.226 5.113 3.299 1203 H ARG 138 H ARG 138 -2.301 4.648 2.787 1204 HA ARG 138 HA ARG 138 -1.227 5.105 0.095 1205 HB2 ARG 138 HB2 ARG 138 0.496 3.391 0.338 1206 HB3 ARG 138 HB3 ARG 138 0.756 4.675 1.490 1207 HG2 ARG 138 HG2 ARG 138 -0.468 1.986 2.179 1208 HG3 ARG 138 HG3 ARG 138 1.249 2.368 2.332 1209 HD2 ARG 138 HD2 ARG 138 0.623 4.234 3.916 1210 HD3 ARG 138 HD3 ARG 138 -1.038 3.639 3.869 1211 HE ARG 138 HE ARG 138 0.268 1.427 4.602 1212 HH11 ARG 138 HH11 ARG 138 0.478 4.712 5.894 1213 HH12 ARG 138 HH12 ARG 138 1.028 4.189 7.451 1214 HH21 ARG 138 HH21 ARG 138 0.977 0.770 6.663 1215 HH22 ARG 138 HH22 ARG 138 1.309 1.957 7.886 1216 H GLU 139 H GLU 139 -2.076 3.781 -1.457 1217 HA GLU 139 HA GLU 139 -4.236 2.004 -0.658 1218 HB2 GLU 139 HB2 GLU 139 -4.466 3.439 -2.655 1219 HB3 GLU 139 HB3 GLU 139 -3.108 2.629 -3.416 1220 HG2 GLU 139 HG2 GLU 139 -5.299 1.902 -4.310 1221 HG3 GLU 139 HG3 GLU 139 -4.361 0.573 -3.623 Start of MODEL 16 1 H MET 1 H MET 1 0.590 0.182 -0.319 2 HA MET 1 HA MET 1 3.016 -1.326 -1.097 3 HB2 MET 1 HB2 MET 1 0.955 -1.818 -2.423 4 HB3 MET 1 HB3 MET 1 0.798 -0.114 -2.798 5 HG2 MET 1 HG2 MET 1 2.913 -0.187 -4.050 6 HG3 MET 1 HG3 MET 1 3.078 -1.905 -3.674 7 HE1 MET 1 HE1 MET 1 3.358 -2.392 -6.303 8 HE2 MET 1 HE2 MET 1 3.123 -0.688 -6.705 9 HE3 MET 1 HE3 MET 1 2.163 -1.928 -7.513 10 H SER 2 H SER 2 4.631 -0.103 -2.140 11 HA SER 2 HA SER 2 5.201 2.367 -0.906 12 HB2 SER 2 HB2 SER 2 6.930 0.721 -1.516 13 HB3 SER 2 HB3 SER 2 6.587 0.958 -3.226 14 HG SER 2 HG SER 2 7.810 2.718 -1.397 15 H LYS 3 H LYS 3 3.352 1.789 -3.727 16 HA LYS 3 HA LYS 3 3.936 3.964 -5.379 17 HB2 LYS 3 HB2 LYS 3 1.678 3.684 -6.319 18 HB3 LYS 3 HB3 LYS 3 2.483 2.134 -6.111 19 HG2 LYS 3 HG2 LYS 3 1.098 1.496 -4.307 20 HG3 LYS 3 HG3 LYS 3 0.560 3.147 -3.996 21 HD2 LYS 3 HD2 LYS 3 -0.166 1.536 -6.481 22 HD3 LYS 3 HD3 LYS 3 -1.189 1.686 -5.049 23 HE2 LYS 3 HE2 LYS 3 -1.316 4.131 -5.397 24 HE3 LYS 3 HE3 LYS 3 -0.294 3.986 -6.828 25 HZ1 LYS 3 HZ1 LYS 3 -2.648 4.147 -7.352 26 HZ2 LYS 3 HZ2 LYS 3 -2.955 2.722 -6.500 27 HZ3 LYS 3 HZ3 LYS 3 -1.995 2.688 -7.889 28 H ILE 4 H ILE 4 2.400 3.971 -2.275 29 HA ILE 4 HA ILE 4 1.359 5.476 -0.968 30 HB ILE 4 HB ILE 4 2.415 7.659 -2.844 31 HG12 ILE 4 HG12 ILE 4 4.281 6.179 -2.154 32 HG13 ILE 4 HG13 ILE 4 4.448 7.764 -1.410 33 HG21 ILE 4 HG21 ILE 4 2.483 9.115 -0.792 34 HG22 ILE 4 HG22 ILE 4 1.671 7.831 0.111 35 HG23 ILE 4 HG23 ILE 4 0.847 8.623 -1.231 36 HD11 ILE 4 HD11 ILE 4 3.445 5.254 -0.062 37 HD12 ILE 4 HD12 ILE 4 3.582 6.841 0.703 38 HD13 ILE 4 HD13 ILE 4 5.028 6.004 0.141 39 H VAL 5 H VAL 5 -0.454 7.421 -1.218 40 HA VAL 5 HA VAL 5 -1.544 7.755 -3.885 41 HB VAL 5 HB VAL 5 -3.990 7.728 -2.914 42 HG11 VAL 5 HG11 VAL 5 -4.384 5.393 -3.557 43 HG12 VAL 5 HG12 VAL 5 -2.654 5.055 -3.454 44 HG13 VAL 5 HG13 VAL 5 -3.262 6.174 -4.676 45 HG21 VAL 5 HG21 VAL 5 -2.725 5.811 -0.926 46 HG22 VAL 5 HG22 VAL 5 -4.458 6.074 -1.147 47 HG23 VAL 5 HG23 VAL 5 -3.435 7.382 -0.547 48 H GLY 6 H GLY 6 -1.660 8.539 -0.435 49 HA2 GLY 6 HA2 GLY 6 -1.062 11.304 -0.877 50 HA3 GLY 6 HA3 GLY 6 -2.738 11.043 -0.390 51 H VAL 7 H VAL 7 -2.083 12.361 1.454 52 HA VAL 7 HA VAL 7 -1.174 10.595 3.657 53 HB VAL 7 HB VAL 7 0.520 12.412 3.161 54 HG11 VAL 7 HG11 VAL 7 -0.984 14.217 2.438 55 HG12 VAL 7 HG12 VAL 7 0.051 14.757 3.760 56 HG13 VAL 7 HG13 VAL 7 -1.638 14.350 4.074 57 HG21 VAL 7 HG21 VAL 7 0.428 11.417 5.412 58 HG22 VAL 7 HG22 VAL 7 -0.778 12.606 5.909 59 HG23 VAL 7 HG23 VAL 7 0.861 13.128 5.510 60 H THR 8 H THR 8 -2.342 10.880 5.617 61 HA THR 8 HA THR 8 -4.795 12.518 5.508 62 HB THR 8 HB THR 8 -5.567 10.242 5.292 63 HG1 THR 8 HG1 THR 8 -6.685 11.603 6.828 64 HG21 THR 8 HG21 THR 8 -3.600 9.001 6.086 65 HG22 THR 8 HG22 THR 8 -5.057 8.448 6.913 66 HG23 THR 8 HG23 THR 8 -3.924 9.515 7.744 67 H TYR 9 H TYR 9 -5.151 13.791 7.227 68 HA TYR 9 HA TYR 9 -3.392 13.567 9.603 69 HB2 TYR 9 HB2 TYR 9 -3.700 15.902 7.752 70 HB3 TYR 9 HB3 TYR 9 -3.780 16.310 9.454 71 HD1 TYR 9 HD1 TYR 9 -1.563 15.009 6.769 72 HD2 TYR 9 HD2 TYR 9 -1.820 16.122 10.892 73 HE1 TYR 9 HE1 TYR 9 0.892 15.005 6.934 74 HE2 TYR 9 HE2 TYR 9 0.623 16.119 11.048 75 HH TYR 9 HH TYR 9 2.534 14.916 9.791 76 HA PRO 10 HA PRO 10 -7.135 13.929 12.016 77 HB2 PRO 10 HB2 PRO 10 -6.182 15.163 14.283 78 HB3 PRO 10 HB3 PRO 10 -5.855 13.466 13.902 79 HG2 PRO 10 HG2 PRO 10 -4.117 15.884 13.387 80 HG3 PRO 10 HG3 PRO 10 -3.675 14.331 14.134 81 HD2 PRO 10 HD2 PRO 10 -3.128 14.801 11.558 82 HD3 PRO 10 HD3 PRO 10 -3.679 13.191 12.080 83 H ILE 11 H ILE 11 -5.098 16.781 11.569 84 HA ILE 11 HA ILE 11 -5.452 18.940 11.098 85 HB ILE 11 HB ILE 11 -8.361 18.159 10.593 86 HG12 ILE 11 HG12 ILE 11 -6.757 16.926 9.140 87 HG13 ILE 11 HG13 ILE 11 -7.760 18.028 8.208 88 HG21 ILE 11 HG21 ILE 11 -8.529 20.228 9.223 89 HG22 ILE 11 HG22 ILE 11 -6.902 20.688 9.732 90 HG23 ILE 11 HG23 ILE 11 -8.200 20.583 10.922 91 HD11 ILE 11 HD11 ILE 11 -5.899 19.615 8.083 92 HD12 ILE 11 HD12 ILE 11 -5.467 18.037 7.429 93 HD13 ILE 11 HD13 ILE 11 -4.895 18.510 9.027 94 HA PRO 12 HA PRO 12 -6.913 20.754 15.082 95 HB2 PRO 12 HB2 PRO 12 -6.519 23.301 13.516 96 HB3 PRO 12 HB3 PRO 12 -5.933 22.876 15.133 97 HG2 PRO 12 HG2 PRO 12 -4.255 22.914 13.043 98 HG3 PRO 12 HG3 PRO 12 -4.107 21.669 14.301 99 HD2 PRO 12 HD2 PRO 12 -5.295 21.443 11.535 100 HD3 PRO 12 HD3 PRO 12 -4.292 20.279 12.431 101 H LYS 13 H LYS 13 -9.106 20.456 15.265 102 HA LYS 13 HA LYS 13 -10.917 20.847 13.111 103 HB2 LYS 13 HB2 LYS 13 -12.667 20.075 14.586 104 HB3 LYS 13 HB3 LYS 13 -11.233 19.080 14.802 105 HG2 LYS 13 HG2 LYS 13 -10.701 20.339 16.882 106 HG3 LYS 13 HG3 LYS 13 -12.183 21.279 16.660 107 HD2 LYS 13 HD2 LYS 13 -13.440 19.034 16.696 108 HD3 LYS 13 HD3 LYS 13 -11.924 18.307 17.241 109 HE2 LYS 13 HE2 LYS 13 -13.326 18.779 19.162 110 HE3 LYS 13 HE3 LYS 13 -11.933 19.862 19.190 111 HZ1 LYS 13 HZ1 LYS 13 -14.654 20.569 18.227 112 HZ2 LYS 13 HZ2 LYS 13 -13.325 21.608 18.258 113 HZ3 LYS 13 HZ3 LYS 13 -13.974 21.032 19.704 114 H ARG 14 H ARG 14 -9.616 23.068 15.155 115 HA ARG 14 HA ARG 14 -11.633 25.039 15.424 116 HB2 ARG 14 HB2 ARG 14 -8.591 25.326 15.234 117 HB3 ARG 14 HB3 ARG 14 -9.684 26.623 15.685 118 HG2 ARG 14 HG2 ARG 14 -8.663 25.819 17.691 119 HG3 ARG 14 HG3 ARG 14 -10.343 25.293 17.721 120 HD2 ARG 14 HD2 ARG 14 -9.693 23.017 17.148 121 HD3 ARG 14 HD3 ARG 14 -8.024 23.515 16.878 122 HE ARG 14 HE ARG 14 -7.764 23.849 19.233 123 HH11 ARG 14 HH11 ARG 14 -10.790 22.248 18.451 124 HH12 ARG 14 HH12 ARG 14 -10.934 21.515 20.016 125 HH21 ARG 14 HH21 ARG 14 -7.957 22.868 21.247 126 HH22 ARG 14 HH22 ARG 14 -9.326 21.861 21.596 127 H PHE 15 H PHE 15 -9.249 24.228 12.936 128 HA PHE 15 HA PHE 15 -10.411 26.175 11.018 129 HB2 PHE 15 HB2 PHE 15 -7.594 25.016 11.073 130 HB3 PHE 15 HB3 PHE 15 -8.200 26.204 9.926 131 HD1 PHE 15 HD1 PHE 15 -8.821 28.524 10.770 132 HD2 PHE 15 HD2 PHE 15 -6.696 25.699 13.176 133 HE1 PHE 15 HE1 PHE 15 -8.055 30.338 12.240 134 HE2 PHE 15 HE2 PHE 15 -5.937 27.522 14.640 135 HZ PHE 15 HZ PHE 15 -6.619 29.837 14.170 136 H MET 16 H MET 16 -10.949 23.150 11.652 137 HA MET 16 HA MET 16 -10.184 21.578 9.425 138 HB2 MET 16 HB2 MET 16 -11.050 20.656 11.550 139 HB3 MET 16 HB3 MET 16 -12.632 21.341 11.223 140 HG2 MET 16 HG2 MET 16 -12.906 19.826 9.317 141 HG3 MET 16 HG3 MET 16 -11.289 19.173 9.587 142 HE1 MET 16 HE1 MET 16 -14.949 19.496 11.066 143 HE2 MET 16 HE2 MET 16 -13.960 20.167 12.364 144 HE3 MET 16 HE3 MET 16 -14.783 18.625 12.591 145 H ASP 17 H ASP 17 -13.086 23.484 10.084 146 HA ASP 17 HA ASP 17 -14.485 22.780 7.693 147 HB2 ASP 17 HB2 ASP 17 -14.972 24.949 9.767 148 HB3 ASP 17 HB3 ASP 17 -16.092 24.587 8.453 149 H ARG 18 H ARG 18 -11.844 24.841 8.054 150 HA ARG 18 HA ARG 18 -12.443 26.967 6.266 151 HB2 ARG 18 HB2 ARG 18 -9.796 25.619 6.972 152 HB3 ARG 18 HB3 ARG 18 -9.897 27.039 5.926 153 HG2 ARG 18 HG2 ARG 18 -10.912 26.925 8.784 154 HG3 ARG 18 HG3 ARG 18 -9.335 27.558 8.312 155 HD2 ARG 18 HD2 ARG 18 -11.568 28.804 6.806 156 HD3 ARG 18 HD3 ARG 18 -11.681 29.044 8.555 157 HE ARG 18 HE ARG 18 -9.080 29.607 7.425 158 HH11 ARG 18 HH11 ARG 18 -12.221 31.017 8.130 159 HH12 ARG 18 HH12 ARG 18 -11.585 32.621 8.284 160 HH21 ARG 18 HH21 ARG 18 -8.281 31.690 7.656 161 HH22 ARG 18 HH22 ARG 18 -9.361 33.000 8.009 162 H PHE 19 H PHE 19 -10.976 23.781 5.725 163 HA PHE 19 HA PHE 19 -10.520 24.001 2.942 164 HB2 PHE 19 HB2 PHE 19 -11.067 21.452 4.545 165 HB3 PHE 19 HB3 PHE 19 -10.257 21.536 2.982 166 HD1 PHE 19 HD1 PHE 19 -9.899 22.376 6.599 167 HD2 PHE 19 HD2 PHE 19 -7.898 21.985 2.842 168 HE1 PHE 19 HE1 PHE 19 -7.730 22.551 7.735 169 HE2 PHE 19 HE2 PHE 19 -5.733 22.154 3.988 170 HZ PHE 19 HZ PHE 19 -5.650 22.444 6.429 171 H PHE 20 H PHE 20 -13.356 23.261 4.816 172 HA PHE 20 HA PHE 20 -14.898 22.177 2.556 173 HB2 PHE 20 HB2 PHE 20 -15.641 22.401 5.508 174 HB3 PHE 20 HB3 PHE 20 -16.501 21.471 4.281 175 HD1 PHE 20 HD1 PHE 20 -15.030 19.634 3.030 176 HD2 PHE 20 HD2 PHE 20 -14.076 21.254 6.859 177 HE1 PHE 20 HE1 PHE 20 -13.669 17.656 3.537 178 HE2 PHE 20 HE2 PHE 20 -12.712 19.275 7.352 179 HZ PHE 20 HZ PHE 20 -12.508 17.470 5.695 180 H LYS 21 H LYS 21 -14.434 25.130 4.221 181 HA LYS 21 HA LYS 21 -16.998 26.354 3.726 182 HB2 LYS 21 HB2 LYS 21 -15.612 27.155 5.569 183 HB3 LYS 21 HB3 LYS 21 -14.263 27.483 4.500 184 HG2 LYS 21 HG2 LYS 21 -16.852 28.992 4.102 185 HG3 LYS 21 HG3 LYS 21 -15.800 29.439 5.445 186 HD2 LYS 21 HD2 LYS 21 -13.947 29.888 3.876 187 HD3 LYS 21 HD3 LYS 21 -14.950 29.381 2.516 188 HE2 LYS 21 HE2 LYS 21 -16.517 31.262 3.031 189 HE3 LYS 21 HE3 LYS 21 -15.406 31.799 4.296 190 HZ1 LYS 21 HZ1 LYS 21 -15.082 33.019 2.236 191 HZ2 LYS 21 HZ2 LYS 21 -14.760 31.588 1.398 192 HZ3 LYS 21 HZ3 LYS 21 -13.704 32.115 2.609 193 H LYS 22 H LYS 22 -13.795 26.428 2.242 194 HA LYS 22 HA LYS 22 -14.746 28.216 0.085 195 HB2 LYS 22 HB2 LYS 22 -12.323 28.693 -0.236 196 HB3 LYS 22 HB3 LYS 22 -12.873 29.033 1.402 197 HG2 LYS 22 HG2 LYS 22 -11.963 26.693 2.008 198 HG3 LYS 22 HG3 LYS 22 -11.158 26.732 0.443 199 HD2 LYS 22 HD2 LYS 22 -9.579 27.434 2.120 200 HD3 LYS 22 HD3 LYS 22 -9.994 28.849 1.153 201 HE2 LYS 22 HE2 LYS 22 -11.492 29.622 2.962 202 HE3 LYS 22 HE3 LYS 22 -11.116 28.174 3.905 203 HZ1 LYS 22 HZ1 LYS 22 -8.797 28.873 3.988 204 HZ2 LYS 22 HZ2 LYS 22 -9.809 30.076 4.627 205 HZ3 LYS 22 HZ3 LYS 22 -9.156 30.260 3.080 206 H GLY 23 H GLY 23 -13.822 24.935 0.632 207 HA2 GLY 23 HA2 GLY 23 -14.030 23.147 -0.823 208 HA3 GLY 23 HA3 GLY 23 -14.291 24.257 -2.155 209 H LYS 24 H LYS 24 -11.615 25.533 -0.997 210 HA LYS 24 HA LYS 24 -9.595 23.580 -1.531 211 HB2 LYS 24 HB2 LYS 24 -8.507 24.779 -3.419 212 HB3 LYS 24 HB3 LYS 24 -10.068 24.106 -3.860 213 HG2 LYS 24 HG2 LYS 24 -11.107 26.261 -3.885 214 HG3 LYS 24 HG3 LYS 24 -9.713 27.015 -3.104 215 HD2 LYS 24 HD2 LYS 24 -8.332 26.575 -5.099 216 HD3 LYS 24 HD3 LYS 24 -9.702 25.784 -5.889 217 HE2 LYS 24 HE2 LYS 24 -9.631 28.699 -5.023 218 HE3 LYS 24 HE3 LYS 24 -9.358 28.119 -6.667 219 HZ1 LYS 24 HZ1 LYS 24 -11.857 27.822 -5.099 220 HZ2 LYS 24 HZ2 LYS 24 -11.604 27.187 -6.640 221 HZ3 LYS 24 HZ3 LYS 24 -11.608 28.859 -6.411 222 H ASP 25 H ASP 25 -8.047 24.013 -0.126 223 HA ASP 25 HA ASP 25 -7.679 26.753 0.971 224 HB2 ASP 25 HB2 ASP 25 -9.121 25.241 2.399 225 HB3 ASP 25 HB3 ASP 25 -7.776 24.124 2.520 226 H VAL 26 H VAL 26 -5.496 26.518 2.505 227 HA VAL 26 HA VAL 26 -3.471 24.814 1.186 228 HB VAL 26 HB VAL 26 -3.115 27.774 1.891 229 HG11 VAL 26 HG11 VAL 26 -0.969 25.783 1.036 230 HG12 VAL 26 HG12 VAL 26 -1.090 26.578 2.608 231 HG13 VAL 26 HG13 VAL 26 -0.740 27.531 1.165 232 HG21 VAL 26 HG21 VAL 26 -4.158 27.385 -0.310 233 HG22 VAL 26 HG22 VAL 26 -2.826 26.322 -0.772 234 HG23 VAL 26 HG23 VAL 26 -2.531 28.043 -0.501 235 H PHE 27 H PHE 27 -2.920 23.401 2.703 236 HA PHE 27 HA PHE 27 -3.035 24.028 5.560 237 HB2 PHE 27 HB2 PHE 27 -4.033 21.901 4.681 238 HB3 PHE 27 HB3 PHE 27 -2.438 21.380 4.161 239 HD1 PHE 27 HD1 PHE 27 -4.105 22.657 7.282 240 HD2 PHE 27 HD2 PHE 27 -1.332 19.872 5.596 241 HE1 PHE 27 HE1 PHE 27 -3.789 21.645 9.490 242 HE2 PHE 27 HE2 PHE 27 -1.035 18.857 7.814 243 HZ PHE 27 HZ PHE 27 -2.253 19.738 9.763 244 H VAL 28 H VAL 28 -1.242 25.031 6.334 245 HA VAL 28 HA VAL 28 1.410 24.438 5.282 246 HB VAL 28 HB VAL 28 2.240 26.157 6.933 247 HG11 VAL 28 HG11 VAL 28 1.724 26.791 4.615 248 HG12 VAL 28 HG12 VAL 28 1.293 28.109 5.708 249 HG13 VAL 28 HG13 VAL 28 0.029 27.071 5.037 250 HG21 VAL 28 HG21 VAL 28 0.478 25.972 8.652 251 HG22 VAL 28 HG22 VAL 28 -0.726 26.605 7.522 252 HG23 VAL 28 HG23 VAL 28 0.606 27.635 8.072 253 H LYS 29 H LYS 29 2.731 23.019 6.075 254 HA LYS 29 HA LYS 29 2.572 22.064 8.857 255 HB2 LYS 29 HB2 LYS 29 3.614 20.751 6.305 256 HB3 LYS 29 HB3 LYS 29 4.069 20.151 7.902 257 HG2 LYS 29 HG2 LYS 29 1.237 20.318 6.807 258 HG3 LYS 29 HG3 LYS 29 2.217 18.852 6.935 259 HD2 LYS 29 HD2 LYS 29 1.256 20.569 9.271 260 HD3 LYS 29 HD3 LYS 29 0.572 19.017 8.785 261 HE2 LYS 29 HE2 LYS 29 2.721 17.912 9.316 262 HE3 LYS 29 HE3 LYS 29 3.396 19.468 9.806 263 HZ1 LYS 29 HZ1 LYS 29 2.666 18.179 11.691 264 HZ2 LYS 29 HZ2 LYS 29 1.096 18.101 11.076 265 HZ3 LYS 29 HZ3 LYS 29 1.744 19.587 11.551 266 HA PRO 30 HA PRO 30 6.766 23.902 9.269 267 HB2 PRO 30 HB2 PRO 30 7.367 22.988 11.762 268 HB3 PRO 30 HB3 PRO 30 6.188 24.285 11.508 269 HG2 PRO 30 HG2 PRO 30 5.700 21.341 11.982 270 HG3 PRO 30 HG3 PRO 30 4.893 22.739 12.725 271 HD2 PRO 30 HD2 PRO 30 3.812 21.346 10.623 272 HD3 PRO 30 HD3 PRO 30 3.505 23.083 10.882 273 H ALA 31 H ALA 31 6.619 21.743 7.566 274 HA ALA 31 HA ALA 31 7.362 19.755 6.795 275 HB1 ALA 31 HB1 ALA 31 9.801 19.545 6.729 276 HB2 ALA 31 HB2 ALA 31 9.956 20.728 8.029 277 HB3 ALA 31 HB3 ALA 31 9.315 21.221 6.462 278 H THR 32 H THR 32 6.117 18.333 8.061 279 HA THR 32 HA THR 32 7.604 16.801 10.135 280 HB THR 32 HB THR 32 4.557 16.992 10.001 281 HG1 THR 32 HG1 THR 32 6.405 18.786 11.162 282 HG21 THR 32 HG21 THR 32 5.448 15.155 11.402 283 HG22 THR 32 HG22 THR 32 4.672 16.387 12.400 284 HG23 THR 32 HG23 THR 32 6.433 16.312 12.305 285 H VAL 33 H VAL 33 6.921 16.698 7.033 286 HA VAL 33 HA VAL 33 6.237 13.822 6.874 287 HB VAL 33 HB VAL 33 5.048 14.351 4.686 288 HG11 VAL 33 HG11 VAL 33 3.739 13.879 6.716 289 HG12 VAL 33 HG12 VAL 33 2.923 15.070 5.704 290 HG13 VAL 33 HG13 VAL 33 3.781 15.589 7.159 291 HG21 VAL 33 HG21 VAL 33 4.256 16.671 4.292 292 HG22 VAL 33 HG22 VAL 33 6.015 16.563 4.233 293 HG23 VAL 33 HG23 VAL 33 5.222 17.230 5.662 294 H TRP 34 H TRP 34 7.197 12.713 5.130 295 HA TRP 34 HA TRP 34 9.836 13.678 4.408 296 HB2 TRP 34 HB2 TRP 34 8.499 11.040 3.646 297 HB3 TRP 34 HB3 TRP 34 10.225 11.400 3.597 298 HD1 TRP 34 HD1 TRP 34 10.811 12.524 6.438 299 HE1 TRP 34 HE1 TRP 34 10.498 11.095 8.549 300 HE3 TRP 34 HE3 TRP 34 7.616 8.989 4.568 301 HZ2 TRP 34 HZ2 TRP 34 9.094 8.784 9.330 302 HZ3 TRP 34 HZ3 TRP 34 6.836 7.195 6.068 303 HH2 TRP 34 HH2 TRP 34 7.565 7.097 8.403 304 H LYS 35 H LYS 35 10.360 12.618 1.976 305 HA LYS 35 HA LYS 35 9.386 14.671 0.234 306 HB2 LYS 35 HB2 LYS 35 11.254 12.325 -0.247 307 HB3 LYS 35 HB3 LYS 35 10.933 13.577 -1.443 308 HG2 LYS 35 HG2 LYS 35 12.173 14.055 1.289 309 HG3 LYS 35 HG3 LYS 35 13.073 13.899 -0.221 310 HD2 LYS 35 HD2 LYS 35 11.078 16.092 0.488 311 HD3 LYS 35 HD3 LYS 35 12.830 16.262 0.369 312 HE2 LYS 35 HE2 LYS 35 10.891 15.708 -1.909 313 HE3 LYS 35 HE3 LYS 35 11.808 17.189 -1.630 314 HZ1 LYS 35 HZ1 LYS 35 12.956 14.528 -2.296 315 HZ2 LYS 35 HZ2 LYS 35 13.849 15.934 -2.006 316 HZ3 LYS 35 HZ3 LYS 35 12.822 15.847 -3.343 317 H GLU 36 H GLU 36 7.716 12.009 1.045 318 HA GLU 36 HA GLU 36 6.728 11.081 -1.477 319 HB2 GLU 36 HB2 GLU 36 5.223 11.028 1.172 320 HB3 GLU 36 HB3 GLU 36 4.994 9.956 -0.210 321 HG2 GLU 36 HG2 GLU 36 7.338 10.029 1.720 322 HG3 GLU 36 HG3 GLU 36 6.129 8.756 1.551 323 H LEU 37 H LEU 37 6.014 13.793 0.642 324 HA LEU 37 HA LEU 37 3.491 14.522 -0.420 325 HB2 LEU 37 HB2 LEU 37 5.252 15.527 1.624 326 HB3 LEU 37 HB3 LEU 37 4.906 16.877 0.566 327 HG LEU 37 HG LEU 37 3.320 16.898 2.389 328 HD11 LEU 37 HD11 LEU 37 1.880 15.932 -0.102 329 HD12 LEU 37 HD12 LEU 37 2.453 17.580 0.187 330 HD13 LEU 37 HD13 LEU 37 1.196 16.895 1.213 331 HD21 LEU 37 HD21 LEU 37 1.789 15.059 2.880 332 HD22 LEU 37 HD22 LEU 37 3.460 14.532 3.040 333 HD23 LEU 37 HD23 LEU 37 2.526 14.071 1.614 334 H LYS 38 H LYS 38 3.235 14.872 -2.534 335 HA LYS 38 HA LYS 38 4.978 16.796 -3.941 336 HB2 LYS 38 HB2 LYS 38 5.232 15.345 -5.853 337 HB3 LYS 38 HB3 LYS 38 5.721 14.444 -4.437 338 HG2 LYS 38 HG2 LYS 38 4.505 12.801 -5.508 339 HG3 LYS 38 HG3 LYS 38 3.208 13.515 -4.545 340 HD2 LYS 38 HD2 LYS 38 2.490 13.106 -6.872 341 HD3 LYS 38 HD3 LYS 38 2.448 14.820 -6.485 342 HE2 LYS 38 HE2 LYS 38 4.595 15.135 -7.673 343 HE3 LYS 38 HE3 LYS 38 4.630 13.415 -8.067 344 HZ1 LYS 38 HZ1 LYS 38 3.812 14.690 -9.914 345 HZ2 LYS 38 HZ2 LYS 38 2.599 15.384 -8.963 346 HZ3 LYS 38 HZ3 LYS 38 2.560 13.731 -9.307 347 HA PRO 39 HA PRO 39 1.062 18.459 -5.412 348 HB2 PRO 39 HB2 PRO 39 1.793 19.513 -7.853 349 HB3 PRO 39 HB3 PRO 39 2.216 20.264 -6.308 350 HG2 PRO 39 HG2 PRO 39 3.896 18.497 -8.079 351 HG3 PRO 39 HG3 PRO 39 4.352 19.993 -7.238 352 HD2 PRO 39 HD2 PRO 39 4.988 17.528 -6.270 353 HD3 PRO 39 HD3 PRO 39 4.637 18.906 -5.190 354 H GLY 40 H GLY 40 -0.176 16.621 -5.677 355 HA2 GLY 40 HA2 GLY 40 -1.524 15.769 -7.676 356 HA3 GLY 40 HA3 GLY 40 0.007 15.073 -8.201 357 H MET 41 H MET 41 -1.373 15.289 -4.940 358 HA MET 41 HA MET 41 -1.781 12.351 -4.868 359 HB2 MET 41 HB2 MET 41 -0.595 14.113 -2.681 360 HB3 MET 41 HB3 MET 41 -1.186 12.485 -2.394 361 HG2 MET 41 HG2 MET 41 0.519 11.824 -4.280 362 HG3 MET 41 HG3 MET 41 1.274 13.364 -3.862 363 HE1 MET 41 HE1 MET 41 1.876 12.702 0.060 364 HE2 MET 41 HE2 MET 41 0.339 13.265 -0.594 365 HE3 MET 41 HE3 MET 41 1.854 13.943 -1.193 366 H LYS 42 H LYS 42 -3.112 12.008 -2.595 367 HA LYS 42 HA LYS 42 -5.311 14.001 -2.500 368 HB2 LYS 42 HB2 LYS 42 -6.592 12.081 -1.332 369 HB3 LYS 42 HB3 LYS 42 -6.388 11.995 -3.074 370 HG2 LYS 42 HG2 LYS 42 -4.653 10.326 -2.841 371 HG3 LYS 42 HG3 LYS 42 -4.653 10.502 -1.089 372 HD2 LYS 42 HD2 LYS 42 -5.872 8.455 -1.901 373 HD3 LYS 42 HD3 LYS 42 -6.874 9.528 -0.920 374 HE2 LYS 42 HE2 LYS 42 -7.991 10.389 -2.905 375 HE3 LYS 42 HE3 LYS 42 -6.887 9.514 -3.962 376 HZ1 LYS 42 HZ1 LYS 42 -9.026 8.417 -3.775 377 HZ2 LYS 42 HZ2 LYS 42 -8.838 8.276 -2.100 378 HZ3 LYS 42 HZ3 LYS 42 -7.801 7.444 -3.138 379 H PHE 43 H PHE 43 -6.211 14.428 -0.411 380 HA PHE 43 HA PHE 43 -4.531 13.839 1.924 381 HB2 PHE 43 HB2 PHE 43 -4.102 16.182 0.891 382 HB3 PHE 43 HB3 PHE 43 -5.701 16.607 1.464 383 HD1 PHE 43 HD1 PHE 43 -5.917 15.649 4.161 384 HD2 PHE 43 HD2 PHE 43 -2.437 17.163 2.191 385 HE1 PHE 43 HE1 PHE 43 -4.980 16.320 6.317 386 HE2 PHE 43 HE2 PHE 43 -1.508 17.825 4.362 387 HZ PHE 43 HZ PHE 43 -2.777 17.406 6.423 388 H VAL 44 H VAL 44 -5.968 12.504 2.908 389 HA VAL 44 HA VAL 44 -8.809 13.166 3.006 390 HB VAL 44 HB VAL 44 -7.362 10.791 4.263 391 HG11 VAL 44 HG11 VAL 44 -10.325 11.239 3.707 392 HG12 VAL 44 HG12 VAL 44 -9.560 11.229 5.298 393 HG13 VAL 44 HG13 VAL 44 -9.612 9.750 4.339 394 HG21 VAL 44 HG21 VAL 44 -8.797 10.981 1.577 395 HG22 VAL 44 HG22 VAL 44 -8.147 9.503 2.290 396 HG23 VAL 44 HG23 VAL 44 -7.054 10.802 1.814 397 H PHE 45 H PHE 45 -9.796 14.089 4.684 398 HA PHE 45 HA PHE 45 -8.188 15.026 6.952 399 HB2 PHE 45 HB2 PHE 45 -10.976 15.878 6.044 400 HB3 PHE 45 HB3 PHE 45 -10.021 16.643 7.313 401 HD1 PHE 45 HD1 PHE 45 -7.586 17.425 6.524 402 HD2 PHE 45 HD2 PHE 45 -10.918 16.881 3.919 403 HE1 PHE 45 HE1 PHE 45 -6.537 18.910 4.881 404 HE2 PHE 45 HE2 PHE 45 -9.858 18.360 2.282 405 HZ PHE 45 HZ PHE 45 -7.673 19.379 2.753 406 H TYR 46 H TYR 46 -8.210 13.673 8.623 407 HA TYR 46 HA TYR 46 -10.428 12.022 9.423 408 HB2 TYR 46 HB2 TYR 46 -8.079 11.370 9.869 409 HB3 TYR 46 HB3 TYR 46 -7.846 12.798 10.860 410 HD1 TYR 46 HD1 TYR 46 -9.759 9.589 10.664 411 HD2 TYR 46 HD2 TYR 46 -8.336 12.714 13.210 412 HE1 TYR 46 HE1 TYR 46 -10.442 8.304 12.640 413 HE2 TYR 46 HE2 TYR 46 -9.018 11.419 15.175 414 HH TYR 46 HH TYR 46 -10.758 9.597 15.655 415 H GLN 47 H GLN 47 -11.738 12.360 11.359 416 HA GLN 47 HA GLN 47 -12.430 15.158 11.749 417 HB2 GLN 47 HB2 GLN 47 -14.145 13.270 11.435 418 HB3 GLN 47 HB3 GLN 47 -13.754 12.751 13.072 419 HG2 GLN 47 HG2 GLN 47 -14.402 15.071 13.856 420 HG3 GLN 47 HG3 GLN 47 -15.005 15.388 12.226 421 HE21 GLN 47 HE21 GLN 47 -16.838 14.189 11.495 422 HE22 GLN 47 HE22 GLN 47 -17.917 13.429 12.606 423 H SER 48 H SER 48 -10.307 15.539 12.707 424 HA SER 48 HA SER 48 -8.828 16.024 14.276 425 HB2 SER 48 HB2 SER 48 -9.673 17.044 16.328 426 HB3 SER 48 HB3 SER 48 -10.655 17.510 14.948 427 HG SER 48 HG SER 48 -12.212 15.999 15.612 428 H HIS 49 H HIS 49 -11.034 14.149 16.380 429 HA HIS 49 HA HIS 49 -9.255 12.028 16.984 430 HB2 HIS 49 HB2 HIS 49 -8.515 12.696 19.232 431 HB3 HIS 49 HB3 HIS 49 -7.994 13.926 18.090 432 HD1 HIS 49 HD1 HIS 49 -10.854 15.414 18.019 433 HD2 HIS 49 HD2 HIS 49 -8.672 14.429 21.417 434 HE1 HIS 49 HE1 HIS 49 -11.650 16.984 19.797 435 HE2 HIS 49 HE2 HIS 49 -10.496 16.200 21.886 436 H GLU 50 H GLU 50 -10.057 10.950 19.110 437 HA GLU 50 HA GLU 50 -11.583 10.070 20.488 438 HB2 GLU 50 HB2 GLU 50 -12.111 12.373 21.170 439 HB3 GLU 50 HB3 GLU 50 -13.268 12.525 19.852 440 HG2 GLU 50 HG2 GLU 50 -14.702 10.824 20.878 441 HG3 GLU 50 HG3 GLU 50 -13.520 10.571 22.164 442 H ASP 51 H ASP 51 -13.742 11.524 18.020 443 HA ASP 51 HA ASP 51 -15.144 9.110 17.432 444 HB2 ASP 51 HB2 ASP 51 -16.172 11.334 17.039 445 HB3 ASP 51 HB3 ASP 51 -14.946 11.712 15.838 446 H THR 52 H THR 52 -14.304 7.442 16.358 447 HA THR 52 HA THR 52 -11.949 7.649 14.682 448 HB THR 52 HB THR 52 -13.645 5.158 15.203 449 HG1 THR 52 HG1 THR 52 -11.826 6.539 16.809 450 HG21 THR 52 HG21 THR 52 -12.005 4.907 13.351 451 HG22 THR 52 HG22 THR 52 -11.528 3.936 14.746 452 HG23 THR 52 HG23 THR 52 -10.711 5.464 14.413 453 H GLY 53 H GLY 53 -12.949 9.095 13.148 454 HA2 GLY 53 HA2 GLY 53 -13.932 7.736 10.797 455 HA3 GLY 53 HA3 GLY 53 -15.134 8.795 11.539 456 H PHE 54 H PHE 54 -14.123 9.221 8.961 457 HA PHE 54 HA PHE 54 -12.279 11.512 9.182 458 HB2 PHE 54 HB2 PHE 54 -13.493 10.180 6.736 459 HB3 PHE 54 HB3 PHE 54 -12.321 11.487 6.697 460 HD1 PHE 54 HD1 PHE 54 -10.074 10.890 8.128 461 HD2 PHE 54 HD2 PHE 54 -12.666 8.048 6.283 462 HE1 PHE 54 HE1 PHE 54 -8.214 9.295 7.990 463 HE2 PHE 54 HE2 PHE 54 -10.803 6.454 6.137 464 HZ PHE 54 HZ PHE 54 -8.573 7.076 6.984 465 H VAL 55 H VAL 55 -12.872 13.580 8.593 466 HA VAL 55 HA VAL 55 -15.708 14.286 8.562 467 HB VAL 55 HB VAL 55 -14.314 15.636 9.989 468 HG11 VAL 55 HG11 VAL 55 -12.411 17.001 9.187 469 HG12 VAL 55 HG12 VAL 55 -12.596 16.307 7.576 470 HG13 VAL 55 HG13 VAL 55 -12.129 15.277 8.932 471 HG21 VAL 55 HG21 VAL 55 -14.745 17.929 9.196 472 HG22 VAL 55 HG22 VAL 55 -16.123 16.877 8.869 473 HG23 VAL 55 HG23 VAL 55 -15.026 17.319 7.562 474 H GLY 56 H GLY 56 -12.979 14.095 6.340 475 HA2 GLY 56 HA2 GLY 56 -14.586 14.038 4.021 476 HA3 GLY 56 HA3 GLY 56 -13.944 15.668 4.211 477 H GLU 57 H GLU 57 -12.847 15.292 2.188 478 HA GLU 57 HA GLU 57 -10.120 14.399 2.579 479 HB2 GLU 57 HB2 GLU 57 -9.985 12.859 0.732 480 HB3 GLU 57 HB3 GLU 57 -11.334 12.326 1.731 481 HG2 GLU 57 HG2 GLU 57 -12.907 13.408 0.146 482 HG3 GLU 57 HG3 GLU 57 -11.543 13.880 -0.868 483 H ALA 58 H ALA 58 -8.936 14.804 0.304 484 HA ALA 58 HA ALA 58 -9.979 16.812 -1.448 485 HB1 ALA 58 HB1 ALA 58 -8.405 18.630 -0.846 486 HB2 ALA 58 HB2 ALA 58 -7.873 17.693 0.556 487 HB3 ALA 58 HB3 ALA 58 -9.534 18.278 0.464 488 H ARG 59 H ARG 59 -7.732 17.876 -2.526 489 HA ARG 59 HA ARG 59 -5.973 15.600 -3.229 490 HB2 ARG 59 HB2 ARG 59 -7.132 17.640 -5.180 491 HB3 ARG 59 HB3 ARG 59 -6.050 16.311 -5.590 492 HG2 ARG 59 HG2 ARG 59 -8.860 15.999 -4.479 493 HG3 ARG 59 HG3 ARG 59 -8.431 15.881 -6.190 494 HD2 ARG 59 HD2 ARG 59 -7.117 13.882 -5.770 495 HD3 ARG 59 HD3 ARG 59 -7.302 14.066 -4.020 496 HE ARG 59 HE ARG 59 -9.465 13.348 -5.918 497 HH11 ARG 59 HH11 ARG 59 -8.207 13.342 -2.638 498 HH12 ARG 59 HH12 ARG 59 -9.517 12.385 -2.014 499 HH21 ARG 59 HH21 ARG 59 -11.190 12.126 -5.059 500 HH22 ARG 59 HH22 ARG 59 -11.185 11.697 -3.376 501 H ILE 60 H ILE 60 -3.899 16.080 -2.993 502 HA ILE 60 HA ILE 60 -2.968 18.647 -2.157 503 HB ILE 60 HB ILE 60 -1.636 15.966 -2.631 504 HG12 ILE 60 HG12 ILE 60 -1.696 17.562 -0.053 505 HG13 ILE 60 HG13 ILE 60 -3.091 16.615 -0.520 506 HG21 ILE 60 HG21 ILE 60 0.080 17.585 -3.300 507 HG22 ILE 60 HG22 ILE 60 0.506 16.864 -1.748 508 HG23 ILE 60 HG23 ILE 60 -0.161 18.497 -1.805 509 HD11 ILE 60 HD11 ILE 60 -0.305 15.550 -0.070 510 HD12 ILE 60 HD12 ILE 60 -1.734 14.592 -0.479 511 HD13 ILE 60 HD13 ILE 60 -1.658 15.456 1.057 512 H LYS 61 H LYS 61 -1.788 20.074 -3.150 513 HA LYS 61 HA LYS 61 -1.005 19.923 -5.970 514 HB2 LYS 61 HB2 LYS 61 -2.706 22.097 -4.644 515 HB3 LYS 61 HB3 LYS 61 -1.905 22.321 -6.197 516 HG2 LYS 61 HG2 LYS 61 -4.009 20.208 -5.619 517 HG3 LYS 61 HG3 LYS 61 -4.328 21.769 -6.384 518 HD2 LYS 61 HD2 LYS 61 -2.442 19.647 -7.508 519 HD3 LYS 61 HD3 LYS 61 -4.121 19.861 -8.008 520 HE2 LYS 61 HE2 LYS 61 -3.616 22.116 -8.826 521 HE3 LYS 61 HE3 LYS 61 -1.948 21.968 -8.267 522 HZ1 LYS 61 HZ1 LYS 61 -1.623 20.171 -9.838 523 HZ2 LYS 61 HZ2 LYS 61 -2.150 21.566 -10.628 524 HZ3 LYS 61 HZ3 LYS 61 -3.229 20.297 -10.356 525 H ARG 62 H ARG 62 0.043 22.371 -6.276 526 HA ARG 62 HA ARG 62 2.611 22.156 -5.745 527 HB2 ARG 62 HB2 ARG 62 2.820 24.677 -5.907 528 HB3 ARG 62 HB3 ARG 62 1.835 23.920 -7.156 529 HG2 ARG 62 HG2 ARG 62 -0.221 24.592 -5.965 530 HG3 ARG 62 HG3 ARG 62 0.752 25.338 -4.693 531 HD2 ARG 62 HD2 ARG 62 1.651 26.957 -6.316 532 HD3 ARG 62 HD3 ARG 62 0.729 26.184 -7.613 533 HE ARG 62 HE ARG 62 -1.012 26.935 -5.529 534 HH11 ARG 62 HH11 ARG 62 0.855 28.438 -8.096 535 HH12 ARG 62 HH12 ARG 62 -0.234 29.779 -8.246 536 HH21 ARG 62 HH21 ARG 62 -2.399 28.669 -5.724 537 HH22 ARG 62 HH22 ARG 62 -2.081 29.915 -6.897 538 H VAL 63 H VAL 63 3.747 21.711 -3.993 539 HA VAL 63 HA VAL 63 3.069 22.830 -1.377 540 HB VAL 63 HB VAL 63 4.739 21.221 -0.444 541 HG11 VAL 63 HG11 VAL 63 2.648 19.942 -2.257 542 HG12 VAL 63 HG12 VAL 63 2.382 20.548 -0.620 543 HG13 VAL 63 HG13 VAL 63 3.430 19.155 -0.881 544 HG21 VAL 63 HG21 VAL 63 6.310 21.011 -2.352 545 HG22 VAL 63 HG22 VAL 63 5.066 20.209 -3.312 546 HG23 VAL 63 HG23 VAL 63 5.712 19.420 -1.870 547 H VAL 64 H VAL 64 3.827 24.805 -1.030 548 HA VAL 64 HA VAL 64 6.225 25.818 -2.356 549 HB VAL 64 HB VAL 64 4.195 27.222 -0.557 550 HG11 VAL 64 HG11 VAL 64 6.350 28.397 -0.444 551 HG12 VAL 64 HG12 VAL 64 5.192 29.352 -1.370 552 HG13 VAL 64 HG13 VAL 64 6.447 28.439 -2.208 553 HG21 VAL 64 HG21 VAL 64 3.198 26.473 -2.683 554 HG22 VAL 64 HG22 VAL 64 4.480 27.285 -3.587 555 HG23 VAL 64 HG23 VAL 64 3.331 28.234 -2.642 556 H LEU 65 H LEU 65 8.105 25.435 -1.395 557 HA LEU 65 HA LEU 65 8.298 24.946 1.488 558 HB2 LEU 65 HB2 LEU 65 10.468 24.686 -0.642 559 HB3 LEU 65 HB3 LEU 65 10.501 24.034 0.995 560 HG LEU 65 HG LEU 65 8.636 23.105 -1.239 561 HD11 LEU 65 HD11 LEU 65 9.963 21.045 -1.284 562 HD12 LEU 65 HD12 LEU 65 11.077 21.714 -0.089 563 HD13 LEU 65 HD13 LEU 65 10.949 22.449 -1.689 564 HD21 LEU 65 HD21 LEU 65 8.024 21.259 0.277 565 HD22 LEU 65 HD22 LEU 65 7.578 22.825 0.945 566 HD23 LEU 65 HD23 LEU 65 9.001 21.980 1.562 567 H SER 66 H SER 66 8.813 26.600 2.769 568 HA SER 66 HA SER 66 10.994 28.399 2.104 569 HB2 SER 66 HB2 SER 66 9.055 29.678 1.256 570 HB3 SER 66 HB3 SER 66 8.223 29.501 2.804 571 HG SER 66 HG SER 66 9.984 31.358 2.077 572 H GLU 67 H GLU 67 12.152 28.850 3.847 573 HA GLU 67 HA GLU 67 11.595 27.589 6.361 574 HB2 GLU 67 HB2 GLU 67 13.854 29.326 5.356 575 HB3 GLU 67 HB3 GLU 67 13.804 28.695 6.994 576 HG2 GLU 67 HG2 GLU 67 13.787 26.406 6.119 577 HG3 GLU 67 HG3 GLU 67 13.823 27.031 4.476 578 H ASN 68 H ASN 68 10.528 30.513 5.112 579 HA ASN 68 HA ASN 68 9.931 31.531 7.833 580 HB2 ASN 68 HB2 ASN 68 9.544 33.059 5.233 581 HB3 ASN 68 HB3 ASN 68 9.437 33.692 6.866 582 HD21 ASN 68 HD21 ASN 68 11.574 32.622 4.332 583 HD22 ASN 68 HD22 ASN 68 13.021 33.307 4.989 584 HA PRO 69 HA PRO 69 5.824 29.762 6.824 585 HB2 PRO 69 HB2 PRO 69 4.585 30.563 9.157 586 HB3 PRO 69 HB3 PRO 69 5.620 29.139 9.043 587 HG2 PRO 69 HG2 PRO 69 6.324 31.908 10.014 588 HG3 PRO 69 HG3 PRO 69 6.704 30.336 10.755 589 HD2 PRO 69 HD2 PRO 69 8.536 31.665 9.297 590 HD3 PRO 69 HD3 PRO 69 8.424 29.888 9.226 591 H MET 70 H MET 70 6.718 33.035 7.469 592 HA MET 70 HA MET 70 4.155 34.304 7.287 593 HB2 MET 70 HB2 MET 70 6.999 35.392 7.163 594 HB3 MET 70 HB3 MET 70 5.562 36.409 7.213 595 HG2 MET 70 HG2 MET 70 4.990 35.614 9.416 596 HG3 MET 70 HG3 MET 70 6.259 34.391 9.366 597 HE1 MET 70 HE1 MET 70 8.799 35.845 8.256 598 HE2 MET 70 HE2 MET 70 8.817 34.872 9.728 599 HE3 MET 70 HE3 MET 70 9.516 36.492 9.732 600 H GLN 71 H GLN 71 6.584 33.295 5.012 601 HA GLN 71 HA GLN 71 5.980 34.936 2.807 602 HB2 GLN 71 HB2 GLN 71 7.050 32.089 2.838 603 HB3 GLN 71 HB3 GLN 71 7.054 33.148 1.426 604 HG2 GLN 71 HG2 GLN 71 8.540 33.629 4.013 605 HG3 GLN 71 HG3 GLN 71 9.249 33.057 2.506 606 HE21 GLN 71 HE21 GLN 71 8.096 35.800 4.275 607 HE22 GLN 71 HE22 GLN 71 8.563 37.011 3.135 608 H PHE 72 H PHE 72 4.360 32.131 4.092 609 HA PHE 72 HA PHE 72 2.842 31.500 1.721 610 HB2 PHE 72 HB2 PHE 72 2.277 30.637 4.584 611 HB3 PHE 72 HB3 PHE 72 1.713 29.854 3.106 612 HD1 PHE 72 HD1 PHE 72 4.322 29.915 1.522 613 HD2 PHE 72 HD2 PHE 72 3.497 28.863 5.584 614 HE1 PHE 72 HE1 PHE 72 6.291 28.456 1.554 615 HE2 PHE 72 HE2 PHE 72 5.460 27.411 5.591 616 HZ PHE 72 HZ PHE 72 6.868 27.204 3.589 617 H PHE 73 H PHE 73 2.506 33.781 4.310 618 HA PHE 73 HA PHE 73 -0.365 34.146 3.865 619 HB2 PHE 73 HB2 PHE 73 1.518 35.463 5.864 620 HB3 PHE 73 HB3 PHE 73 -0.232 35.687 5.807 621 HD1 PHE 73 HD1 PHE 73 -1.741 33.611 6.141 622 HD2 PHE 73 HD2 PHE 73 2.437 33.594 7.043 623 HE1 PHE 73 HE1 PHE 73 -2.037 31.621 7.536 624 HE2 PHE 73 HE2 PHE 73 2.116 31.598 8.436 625 HZ PHE 73 HZ PHE 73 -0.117 30.611 8.685 626 H GLU 74 H GLU 74 2.702 35.627 2.955 627 HA GLU 74 HA GLU 74 1.333 37.923 1.767 628 HB2 GLU 74 HB2 GLU 74 3.476 38.594 0.838 629 HB3 GLU 74 HB3 GLU 74 3.672 38.191 2.539 630 HG2 GLU 74 HG2 GLU 74 4.770 36.131 2.020 631 HG3 GLU 74 HG3 GLU 74 4.351 36.256 0.312 632 H THR 75 H THR 75 2.358 34.706 0.765 633 HA THR 75 HA THR 75 1.961 35.166 -2.065 634 HB THR 75 HB THR 75 2.369 32.554 -0.537 635 HG1 THR 75 HG1 THR 75 4.047 34.500 -1.005 636 HG21 THR 75 HG21 THR 75 1.307 32.138 -2.750 637 HG22 THR 75 HG22 THR 75 2.974 31.564 -2.716 638 HG23 THR 75 HG23 THR 75 2.584 33.077 -3.533 639 H PHE 76 H PHE 76 0.305 33.063 0.344 640 HA PHE 76 HA PHE 76 -2.133 33.055 -1.332 641 HB2 PHE 76 HB2 PHE 76 -1.410 31.304 1.061 642 HB3 PHE 76 HB3 PHE 76 -2.847 31.134 0.064 643 HD1 PHE 76 HD1 PHE 76 -2.528 30.546 -2.432 644 HD2 PHE 76 HD2 PHE 76 0.590 30.161 0.476 645 HE1 PHE 76 HE1 PHE 76 -1.335 28.978 -3.910 646 HE2 PHE 76 HE2 PHE 76 1.773 28.597 -1.007 647 HZ PHE 76 HZ PHE 76 0.812 28.000 -3.198 648 H GLY 77 H GLY 77 -1.490 32.982 2.205 649 HA2 GLY 77 HA2 GLY 77 -2.336 34.170 3.970 650 HA3 GLY 77 HA3 GLY 77 -2.880 35.398 2.837 651 H ASP 78 H ASP 78 -4.848 34.977 1.666 652 HA ASP 78 HA ASP 78 -7.076 34.308 3.219 653 HB2 ASP 78 HB2 ASP 78 -7.256 35.845 1.354 654 HB3 ASP 78 HB3 ASP 78 -6.688 34.631 0.219 655 H ARG 79 H ARG 79 -5.380 32.430 0.702 656 HA ARG 79 HA ARG 79 -7.206 30.264 0.587 657 HB2 ARG 79 HB2 ARG 79 -4.245 30.234 -0.124 658 HB3 ARG 79 HB3 ARG 79 -5.433 29.032 -0.617 659 HG2 ARG 79 HG2 ARG 79 -5.345 31.942 -1.469 660 HG3 ARG 79 HG3 ARG 79 -4.910 30.544 -2.456 661 HD2 ARG 79 HD2 ARG 79 -7.305 29.749 -2.221 662 HD3 ARG 79 HD3 ARG 79 -7.680 31.291 -1.439 663 HE ARG 79 HE ARG 79 -6.839 30.905 -4.256 664 HH11 ARG 79 HH11 ARG 79 -8.209 33.047 -1.824 665 HH12 ARG 79 HH12 ARG 79 -8.805 34.174 -2.998 666 HH21 ARG 79 HH21 ARG 79 -7.636 32.400 -5.757 667 HH22 ARG 79 HH22 ARG 79 -8.478 33.817 -5.211 668 H VAL 80 H VAL 80 -4.555 30.955 2.764 669 HA VAL 80 HA VAL 80 -4.038 28.302 3.698 670 HB VAL 80 HB VAL 80 -3.419 30.931 5.135 671 HG11 VAL 80 HG11 VAL 80 -2.056 28.218 5.351 672 HG12 VAL 80 HG12 VAL 80 -3.127 28.937 6.559 673 HG13 VAL 80 HG13 VAL 80 -1.575 29.696 6.198 674 HG21 VAL 80 HG21 VAL 80 -1.205 30.883 4.016 675 HG22 VAL 80 HG22 VAL 80 -2.518 31.035 2.847 676 HG23 VAL 80 HG23 VAL 80 -1.713 29.479 3.069 677 H PHE 81 H PHE 81 -4.631 27.332 5.741 678 HA PHE 81 HA PHE 81 -7.348 27.658 6.435 679 HB2 PHE 81 HB2 PHE 81 -7.072 25.851 8.009 680 HB3 PHE 81 HB3 PHE 81 -6.156 25.491 6.561 681 HD1 PHE 81 HD1 PHE 81 -3.699 25.383 6.605 682 HD2 PHE 81 HD2 PHE 81 -5.914 26.152 10.168 683 HE1 PHE 81 HE1 PHE 81 -1.750 24.778 7.968 684 HE2 PHE 81 HE2 PHE 81 -3.965 25.541 11.524 685 HZ PHE 81 HZ PHE 81 -1.873 24.853 10.422 686 H LEU 82 H LEU 82 -4.409 28.684 8.119 687 HA LEU 82 HA LEU 82 -6.081 30.202 10.050 688 HB2 LEU 82 HB2 LEU 82 -4.388 30.077 11.671 689 HB3 LEU 82 HB3 LEU 82 -4.418 28.469 10.981 690 HG LEU 82 HG LEU 82 -2.323 30.610 10.381 691 HD11 LEU 82 HD11 LEU 82 -0.772 29.206 11.669 692 HD12 LEU 82 HD12 LEU 82 -2.093 28.107 12.081 693 HD13 LEU 82 HD13 LEU 82 -2.112 29.775 12.663 694 HD21 LEU 82 HD21 LEU 82 -2.616 29.139 8.460 695 HD22 LEU 82 HD22 LEU 82 -2.405 27.717 9.481 696 HD23 LEU 82 HD23 LEU 82 -1.065 28.841 9.239 697 H THR 83 H THR 83 -5.064 32.329 10.732 698 HA THR 83 HA THR 83 -3.863 33.723 8.418 699 HB THR 83 HB THR 83 -5.850 34.835 9.308 700 HG1 THR 83 HG1 THR 83 -4.642 36.870 10.066 701 HG21 THR 83 HG21 THR 83 -5.811 34.046 11.639 702 HG22 THR 83 HG22 THR 83 -5.923 35.805 11.574 703 HG23 THR 83 HG23 THR 83 -4.384 35.035 11.959 704 H LYS 84 H LYS 84 -2.191 35.441 9.096 705 HA LYS 84 HA LYS 84 0.044 34.041 10.177 706 HB2 LYS 84 HB2 LYS 84 0.193 35.712 8.356 707 HB3 LYS 84 HB3 LYS 84 -0.231 36.986 9.493 708 HG2 LYS 84 HG2 LYS 84 1.832 36.809 10.647 709 HG3 LYS 84 HG3 LYS 84 2.199 35.240 9.926 710 HD2 LYS 84 HD2 LYS 84 3.562 36.994 8.912 711 HD3 LYS 84 HD3 LYS 84 2.461 36.278 7.738 712 HE2 LYS 84 HE2 LYS 84 2.554 38.676 7.425 713 HE3 LYS 84 HE3 LYS 84 0.952 38.214 7.986 714 HZ1 LYS 84 HZ1 LYS 84 1.715 40.183 9.125 715 HZ2 LYS 84 HZ2 LYS 84 3.120 39.395 9.643 716 HZ3 LYS 84 HZ3 LYS 84 1.610 38.909 10.232 717 H ASP 85 H ASP 85 -2.183 36.372 11.473 718 HA ASP 85 HA ASP 85 -1.069 36.905 13.984 719 HB2 ASP 85 HB2 ASP 85 -4.015 36.369 13.492 720 HB3 ASP 85 HB3 ASP 85 -3.320 37.294 14.810 721 H GLU 86 H GLU 86 -3.268 34.199 13.084 722 HA GLU 86 HA GLU 86 -3.186 32.775 15.494 723 HB2 GLU 86 HB2 GLU 86 -3.544 31.702 12.674 724 HB3 GLU 86 HB3 GLU 86 -3.831 30.757 14.135 725 HG2 GLU 86 HG2 GLU 86 -5.339 33.235 13.265 726 HG3 GLU 86 HG3 GLU 86 -5.926 31.576 13.184 727 H LEU 87 H LEU 87 -1.002 32.792 12.753 728 HA LEU 87 HA LEU 87 0.678 30.633 13.390 729 HB2 LEU 87 HB2 LEU 87 0.766 31.654 11.190 730 HB3 LEU 87 HB3 LEU 87 1.183 33.213 11.873 731 HG LEU 87 HG LEU 87 3.365 32.103 12.700 732 HD11 LEU 87 HD11 LEU 87 2.703 29.775 12.441 733 HD12 LEU 87 HD12 LEU 87 4.145 30.137 11.497 734 HD13 LEU 87 HD13 LEU 87 2.583 29.984 10.689 735 HD21 LEU 87 HD21 LEU 87 3.303 33.737 10.866 736 HD22 LEU 87 HD22 LEU 87 3.002 32.437 9.713 737 HD23 LEU 87 HD23 LEU 87 4.522 32.493 10.599 738 H LYS 88 H LYS 88 1.152 34.167 14.112 739 HA LYS 88 HA LYS 88 3.661 33.784 15.324 740 HB2 LYS 88 HB2 LYS 88 3.373 36.165 16.253 741 HB3 LYS 88 HB3 LYS 88 3.377 35.956 14.517 742 HG2 LYS 88 HG2 LYS 88 1.733 37.558 14.949 743 HG3 LYS 88 HG3 LYS 88 0.852 36.074 14.609 744 HD2 LYS 88 HD2 LYS 88 0.212 35.781 16.855 745 HD3 LYS 88 HD3 LYS 88 1.450 36.891 17.468 746 HE2 LYS 88 HE2 LYS 88 0.267 38.764 16.546 747 HE3 LYS 88 HE3 LYS 88 -0.920 37.717 15.769 748 HZ1 LYS 88 HZ1 LYS 88 -0.521 38.019 18.690 749 HZ2 LYS 88 HZ2 LYS 88 -1.616 36.957 17.961 750 HZ3 LYS 88 HZ3 LYS 88 -1.816 38.627 17.795 751 H GLU 89 H GLU 89 0.442 33.863 16.756 752 HA GLU 89 HA GLU 89 1.431 33.711 19.481 753 HB2 GLU 89 HB2 GLU 89 -0.972 33.409 20.084 754 HB3 GLU 89 HB3 GLU 89 -0.646 34.850 19.121 755 HG2 GLU 89 HG2 GLU 89 -1.359 33.407 17.085 756 HG3 GLU 89 HG3 GLU 89 -2.031 32.295 18.284 757 H TYR 90 H TYR 90 0.438 31.389 17.016 758 HA TYR 90 HA TYR 90 0.284 29.059 18.652 759 HB2 TYR 90 HB2 TYR 90 -0.624 28.958 16.412 760 HB3 TYR 90 HB3 TYR 90 0.900 29.453 15.695 761 HD1 TYR 90 HD1 TYR 90 -0.605 26.626 17.692 762 HD2 TYR 90 HD2 TYR 90 2.334 27.799 14.810 763 HE1 TYR 90 HE1 TYR 90 0.007 24.271 17.347 764 HE2 TYR 90 HE2 TYR 90 2.942 25.441 14.465 765 HH TYR 90 HH TYR 90 2.806 23.292 15.786 766 H MET 91 H MET 91 2.943 30.657 16.959 767 HA MET 91 HA MET 91 4.950 28.698 17.557 768 HB2 MET 91 HB2 MET 91 5.186 31.573 16.581 769 HB3 MET 91 HB3 MET 91 6.537 30.454 16.692 770 HG2 MET 91 HG2 MET 91 5.358 28.948 15.076 771 HG3 MET 91 HG3 MET 91 4.112 30.182 14.895 772 HE1 MET 91 HE1 MET 91 4.704 32.694 13.936 773 HE2 MET 91 HE2 MET 91 6.292 33.124 13.300 774 HE3 MET 91 HE3 MET 91 6.079 32.862 15.031 775 H LYS 92 H LYS 92 3.809 31.651 19.115 776 HA LYS 92 HA LYS 92 5.761 31.671 21.226 777 HB2 LYS 92 HB2 LYS 92 3.008 32.955 21.019 778 HB3 LYS 92 HB3 LYS 92 4.093 33.201 22.384 779 HG2 LYS 92 HG2 LYS 92 4.650 33.985 19.500 780 HG3 LYS 92 HG3 LYS 92 4.188 35.085 20.803 781 HD2 LYS 92 HD2 LYS 92 6.756 33.439 20.689 782 HD3 LYS 92 HD3 LYS 92 6.628 35.161 20.329 783 HE2 LYS 92 HE2 LYS 92 5.969 35.615 22.654 784 HE3 LYS 92 HE3 LYS 92 6.015 33.889 23.023 785 HZ1 LYS 92 HZ1 LYS 92 8.002 35.051 23.747 786 HZ2 LYS 92 HZ2 LYS 92 8.340 35.507 22.158 787 HZ3 LYS 92 HZ3 LYS 92 8.366 33.874 22.592 788 H SER 93 H SER 93 2.616 30.143 20.748 789 HA SER 93 HA SER 93 2.174 29.221 23.388 790 HB2 SER 93 HB2 SER 93 1.148 28.208 20.711 791 HB3 SER 93 HB3 SER 93 0.600 27.564 22.261 792 HG SER 93 HG SER 93 -0.206 29.755 20.983 793 H GLN 94 H GLN 94 4.191 28.024 20.790 794 HA GLN 94 HA GLN 94 4.618 25.380 21.713 795 HB2 GLN 94 HB2 GLN 94 6.554 27.148 20.154 796 HB3 GLN 94 HB3 GLN 94 6.652 25.396 20.304 797 HG2 GLN 94 HG2 GLN 94 4.561 27.008 18.808 798 HG3 GLN 94 HG3 GLN 94 5.789 25.949 18.123 799 HE21 GLN 94 HE21 GLN 94 2.674 26.110 19.640 800 HE22 GLN 94 HE22 GLN 94 2.247 24.448 19.426 801 H GLU 95 H GLU 95 6.316 28.448 22.384 802 HA GLU 95 HA GLU 95 8.322 27.096 24.012 803 HB2 GLU 95 HB2 GLU 95 9.356 29.416 24.176 804 HB3 GLU 95 HB3 GLU 95 9.259 28.711 22.579 805 HG2 GLU 95 HG2 GLU 95 8.565 30.796 22.001 806 HG3 GLU 95 HG3 GLU 95 6.995 30.170 22.488 807 H ARG 96 H ARG 96 5.443 29.083 24.617 808 HA ARG 96 HA ARG 96 6.171 29.558 27.400 809 HB2 ARG 96 HB2 ARG 96 4.072 30.741 27.639 810 HB3 ARG 96 HB3 ARG 96 4.854 31.248 26.148 811 HG2 ARG 96 HG2 ARG 96 3.307 29.864 24.841 812 HG3 ARG 96 HG3 ARG 96 2.546 29.280 26.322 813 HD2 ARG 96 HD2 ARG 96 1.205 31.041 25.247 814 HD3 ARG 96 HD3 ARG 96 1.772 31.551 26.839 815 HE ARG 96 HE ARG 96 3.657 32.642 25.391 816 HH11 ARG 96 HH11 ARG 96 0.253 32.545 24.567 817 HH12 ARG 96 HH12 ARG 96 0.301 34.042 23.700 818 HH21 ARG 96 HH21 ARG 96 3.706 34.610 24.290 819 HH22 ARG 96 HH22 ARG 96 2.264 35.217 23.538 820 H TRP 97 H TRP 97 3.851 27.405 25.694 821 HA TRP 97 HA TRP 97 2.906 26.242 28.200 822 HB2 TRP 97 HB2 TRP 97 2.270 25.419 25.333 823 HB3 TRP 97 HB3 TRP 97 1.477 24.795 26.775 824 HD1 TRP 97 HD1 TRP 97 0.674 27.008 24.127 825 HE1 TRP 97 HE1 TRP 97 -1.019 28.812 24.785 826 HE3 TRP 97 HE3 TRP 97 1.029 26.668 29.234 827 HZ2 TRP 97 HZ2 TRP 97 -2.074 29.951 27.114 828 HZ3 TRP 97 HZ3 TRP 97 -0.375 28.162 30.600 829 HH2 TRP 97 HH2 TRP 97 -1.896 29.769 29.560 830 H GLY 98 H GLY 98 5.346 25.597 25.830 831 HA2 GLY 98 HA2 GLY 98 5.848 22.846 26.582 832 HA3 GLY 98 HA3 GLY 98 6.867 23.880 25.586 833 H ARG 99 H ARG 99 8.533 24.998 26.513 834 HA ARG 99 HA ARG 99 8.907 25.194 29.407 835 HB2 ARG 99 HB2 ARG 99 10.706 23.534 27.586 836 HB3 ARG 99 HB3 ARG 99 11.351 24.267 29.046 837 HG2 ARG 99 HG2 ARG 99 9.051 22.283 28.995 838 HG3 ARG 99 HG3 ARG 99 10.740 21.858 29.295 839 HD2 ARG 99 HD2 ARG 99 10.735 23.357 31.285 840 HD3 ARG 99 HD3 ARG 99 9.025 23.702 31.002 841 HE ARG 99 HE ARG 99 8.658 21.245 31.309 842 HH11 ARG 99 HH11 ARG 99 11.424 22.768 32.861 843 HH12 ARG 99 HH12 ARG 99 11.510 21.586 34.128 844 HH21 ARG 99 HH21 ARG 99 8.817 19.695 32.949 845 HH22 ARG 99 HH22 ARG 99 10.043 19.848 34.170 846 H ARG 100 H ARG 100 10.780 25.393 26.407 847 HA ARG 100 HA ARG 100 10.957 28.218 26.236 848 HB2 ARG 100 HB2 ARG 100 13.471 28.369 26.617 849 HB3 ARG 100 HB3 ARG 100 12.518 28.125 28.077 850 HG2 ARG 100 HG2 ARG 100 13.120 25.750 28.126 851 HG3 ARG 100 HG3 ARG 100 13.996 25.918 26.602 852 HD2 ARG 100 HD2 ARG 100 14.723 27.431 29.138 853 HD3 ARG 100 HD3 ARG 100 15.455 25.895 28.656 854 HE ARG 100 HE ARG 100 15.869 27.339 26.472 855 HH11 ARG 100 HH11 ARG 100 16.399 28.303 29.800 856 HH12 ARG 100 HH12 ARG 100 17.773 29.285 29.411 857 HH21 ARG 100 HH21 ARG 100 17.635 28.641 25.974 858 HH22 ARG 100 HH22 ARG 100 18.470 29.484 27.241 859 H ARG 101 H ARG 101 12.262 28.868 24.371 860 HA ARG 101 HA ARG 101 13.495 26.920 22.647 861 HB2 ARG 101 HB2 ARG 101 10.967 26.660 22.230 862 HB3 ARG 101 HB3 ARG 101 10.966 28.292 21.590 863 HG2 ARG 101 HG2 ARG 101 12.747 26.142 20.403 864 HG3 ARG 101 HG3 ARG 101 11.047 26.273 19.951 865 HD2 ARG 101 HD2 ARG 101 13.150 28.437 19.613 866 HD3 ARG 101 HD3 ARG 101 12.485 27.425 18.330 867 HE ARG 101 HE ARG 101 10.257 28.478 19.006 868 HH11 ARG 101 HH11 ARG 101 13.294 30.226 19.147 869 HH12 ARG 101 HH12 ARG 101 12.546 31.780 18.990 870 HH21 ARG 101 HH21 ARG 101 9.298 30.511 18.783 871 HH22 ARG 101 HH22 ARG 101 10.284 31.936 18.771 872 H GLU 102 H GLU 102 15.189 27.983 21.942 873 HA GLU 102 HA GLU 102 15.464 30.857 22.208 874 HB2 GLU 102 HB2 GLU 102 17.485 28.777 21.227 875 HB3 GLU 102 HB3 GLU 102 17.847 30.453 21.609 876 HG2 GLU 102 HG2 GLU 102 18.636 29.100 23.407 877 HG3 GLU 102 HG3 GLU 102 17.232 29.996 23.989 878 H SER 103 H SER 103 16.407 32.169 20.457 879 HA SER 103 HA SER 103 15.032 32.163 18.049 880 HB2 SER 103 HB2 SER 103 17.788 33.356 18.608 881 HB3 SER 103 HB3 SER 103 16.721 33.818 17.276 882 HG SER 103 HG SER 103 15.155 34.218 19.132 883 H LYS 104 H LYS 104 18.449 31.221 18.534 884 HA LYS 104 HA LYS 104 19.894 29.866 17.486 885 HB2 LYS 104 HB2 LYS 104 17.386 28.179 17.521 886 HB3 LYS 104 HB3 LYS 104 18.885 27.526 16.882 887 HG2 LYS 104 HG2 LYS 104 18.836 28.683 19.678 888 HG3 LYS 104 HG3 LYS 104 18.190 27.073 19.379 889 HD2 LYS 104 HD2 LYS 104 20.470 26.799 20.101 890 HD3 LYS 104 HD3 LYS 104 20.412 26.416 18.384 891 HE2 LYS 104 HE2 LYS 104 21.316 28.698 17.894 892 HE3 LYS 104 HE3 LYS 104 21.461 28.987 19.628 893 HZ1 LYS 104 HZ1 LYS 104 23.540 28.278 18.576 894 HZ2 LYS 104 HZ2 LYS 104 22.824 26.808 18.147 895 HZ3 LYS 104 HZ3 LYS 104 23.034 27.199 19.775 896 H LYS 105 H LYS 105 17.188 28.819 15.474 897 HA LYS 105 HA LYS 105 18.063 30.229 13.141 898 HB2 LYS 105 HB2 LYS 105 19.569 28.118 13.376 899 HB3 LYS 105 HB3 LYS 105 18.123 27.182 13.036 900 HG2 LYS 105 HG2 LYS 105 19.083 27.315 10.932 901 HG3 LYS 105 HG3 LYS 105 17.975 28.674 10.873 902 HD2 LYS 105 HD2 LYS 105 20.925 28.936 11.578 903 HD3 LYS 105 HD3 LYS 105 20.302 29.118 9.941 904 HE2 LYS 105 HE2 LYS 105 18.951 31.053 10.687 905 HE3 LYS 105 HE3 LYS 105 19.574 30.859 12.321 906 HZ1 LYS 105 HZ1 LYS 105 21.183 31.499 9.925 907 HZ2 LYS 105 HZ2 LYS 105 21.785 31.299 11.492 908 HZ3 LYS 105 HZ3 LYS 105 20.736 32.580 11.145 909 H LYS 106 H LYS 106 16.582 29.936 11.390 910 HA LYS 106 HA LYS 106 13.839 29.568 12.138 911 HB2 LYS 106 HB2 LYS 106 13.285 30.294 9.926 912 HB3 LYS 106 HB3 LYS 106 14.696 31.231 10.387 913 HG2 LYS 106 HG2 LYS 106 14.770 28.780 8.595 914 HG3 LYS 106 HG3 LYS 106 14.678 30.435 8.005 915 HD2 LYS 106 HD2 LYS 106 16.963 29.425 9.732 916 HD3 LYS 106 HD3 LYS 106 16.980 29.320 7.972 917 HE2 LYS 106 HE2 LYS 106 16.664 31.927 9.499 918 HE3 LYS 106 HE3 LYS 106 18.212 31.300 8.935 919 HZ1 LYS 106 HZ1 LYS 106 17.425 31.420 6.681 920 HZ2 LYS 106 HZ2 LYS 106 17.247 32.925 7.422 921 HZ3 LYS 106 HZ3 LYS 106 15.899 31.936 7.191 922 H LYS 107 H LYS 107 12.418 28.118 10.615 923 HA LYS 107 HA LYS 107 13.642 25.418 10.306 924 HB2 LYS 107 HB2 LYS 107 12.046 25.914 12.395 925 HB3 LYS 107 HB3 LYS 107 10.755 25.793 11.211 926 HG2 LYS 107 HG2 LYS 107 12.799 23.595 11.725 927 HG3 LYS 107 HG3 LYS 107 11.233 23.679 12.534 928 HD2 LYS 107 HD2 LYS 107 10.043 23.214 10.542 929 HD3 LYS 107 HD3 LYS 107 11.390 23.669 9.516 930 HE2 LYS 107 HE2 LYS 107 11.320 21.342 9.331 931 HE3 LYS 107 HE3 LYS 107 12.621 21.642 10.486 932 HZ1 LYS 107 HZ1 LYS 107 11.286 19.873 11.291 933 HZ2 LYS 107 HZ2 LYS 107 9.854 20.744 11.071 934 HZ3 LYS 107 HZ3 LYS 107 10.957 21.222 12.256 935 H LEU 108 H LEU 108 12.972 24.301 8.475 936 HA LEU 108 HA LEU 108 11.802 25.698 6.279 937 HB2 LEU 108 HB2 LEU 108 13.478 23.767 6.142 938 HB3 LEU 108 HB3 LEU 108 12.177 22.679 6.552 939 HG LEU 108 HG LEU 108 12.787 22.708 4.109 940 HD11 LEU 108 HD11 LEU 108 10.556 22.707 3.172 941 HD12 LEU 108 HD12 LEU 108 9.935 23.583 4.575 942 HD13 LEU 108 HD13 LEU 108 10.553 21.938 4.762 943 HD21 LEU 108 HD21 LEU 108 11.642 25.515 4.092 944 HD22 LEU 108 HD22 LEU 108 12.121 24.576 2.673 945 HD23 LEU 108 HD23 LEU 108 13.334 25.070 3.851 946 H TRP 109 H TRP 109 9.723 26.331 6.487 947 HA TRP 109 HA TRP 109 7.645 24.387 7.238 948 HB2 TRP 109 HB2 TRP 109 7.520 27.384 6.698 949 HB3 TRP 109 HB3 TRP 109 6.092 26.391 6.965 950 HD1 TRP 109 HD1 TRP 109 9.410 26.945 8.915 951 HE1 TRP 109 HE1 TRP 109 8.851 27.285 11.379 952 HE3 TRP 109 HE3 TRP 109 4.335 26.419 8.651 953 HZ2 TRP 109 HZ2 TRP 109 6.567 27.336 13.027 954 HZ3 TRP 109 HZ3 TRP 109 3.024 26.636 10.732 955 HH2 TRP 109 HH2 TRP 109 4.122 27.092 12.880 956 H MET 110 H MET 110 5.750 24.305 5.767 957 HA MET 110 HA MET 110 6.328 24.558 2.918 958 HB2 MET 110 HB2 MET 110 5.658 22.100 2.594 959 HB3 MET 110 HB3 MET 110 7.249 22.383 3.281 960 HG2 MET 110 HG2 MET 110 6.490 21.784 5.484 961 HG3 MET 110 HG3 MET 110 4.814 21.698 4.943 962 HE1 MET 110 HE1 MET 110 3.812 19.764 3.512 963 HE2 MET 110 HE2 MET 110 4.779 18.510 2.728 964 HE3 MET 110 HE3 MET 110 4.931 20.190 2.210 965 H ALA 111 H ALA 111 4.550 25.070 1.833 966 HA ALA 111 HA ALA 111 1.936 25.048 3.192 967 HB1 ALA 111 HB1 ALA 111 2.961 26.709 0.856 968 HB2 ALA 111 HB2 ALA 111 2.748 27.254 2.522 969 HB3 ALA 111 HB3 ALA 111 1.341 26.814 1.556 970 H ILE 112 H ILE 112 1.071 23.088 2.682 971 HA ILE 112 HA ILE 112 1.187 21.921 0.026 972 HB ILE 112 HB ILE 112 -0.667 21.128 2.331 973 HG12 ILE 112 HG12 ILE 112 2.106 19.980 1.777 974 HG13 ILE 112 HG13 ILE 112 1.728 21.098 3.085 975 HG21 ILE 112 HG21 ILE 112 -0.743 18.920 1.228 976 HG22 ILE 112 HG22 ILE 112 0.321 19.509 -0.050 977 HG23 ILE 112 HG23 ILE 112 -1.295 20.194 0.137 978 HD11 ILE 112 HD11 ILE 112 0.612 18.309 2.761 979 HD12 ILE 112 HD12 ILE 112 0.222 19.429 4.071 980 HD13 ILE 112 HD13 ILE 112 1.867 18.818 3.890 981 H GLU 113 H GLU 113 -0.177 22.663 -1.624 982 HA GLU 113 HA GLU 113 -2.542 24.217 -0.856 983 HB2 GLU 113 HB2 GLU 113 -1.204 25.001 -2.783 984 HB3 GLU 113 HB3 GLU 113 -1.548 23.506 -3.649 985 HG2 GLU 113 HG2 GLU 113 -3.915 24.043 -3.760 986 HG3 GLU 113 HG3 GLU 113 -3.685 25.454 -2.726 987 H LEU 114 H LEU 114 -4.602 23.548 -1.108 988 HA LEU 114 HA LEU 114 -5.130 20.709 -1.686 989 HB2 LEU 114 HB2 LEU 114 -5.987 22.445 0.641 990 HB3 LEU 114 HB3 LEU 114 -7.112 21.230 0.076 991 HG LEU 114 HG LEU 114 -5.920 20.284 1.925 992 HD11 LEU 114 HD11 LEU 114 -6.369 18.750 0.123 993 HD12 LEU 114 HD12 LEU 114 -4.862 18.329 0.913 994 HD13 LEU 114 HD13 LEU 114 -4.833 19.132 -0.654 995 HD21 LEU 114 HD21 LEU 114 -3.315 20.965 0.534 996 HD22 LEU 114 HD22 LEU 114 -3.471 19.999 2.001 997 HD23 LEU 114 HD23 LEU 114 -3.940 21.704 2.013 998 H GLU 115 H GLU 115 -6.372 20.521 -3.419 999 HA GLU 115 HA GLU 115 -8.543 22.471 -3.961 1000 HB2 GLU 115 HB2 GLU 115 -8.460 21.817 -6.292 1001 HB3 GLU 115 HB3 GLU 115 -6.809 22.194 -5.805 1002 HG2 GLU 115 HG2 GLU 115 -6.200 19.880 -5.727 1003 HG3 GLU 115 HG3 GLU 115 -7.876 19.356 -5.832 1004 H ASP 116 H ASP 116 -10.486 21.424 -4.951 1005 HA ASP 116 HA ASP 116 -12.201 19.940 -5.082 1006 HB2 ASP 116 HB2 ASP 116 -10.435 18.993 -6.646 1007 HB3 ASP 116 HB3 ASP 116 -9.942 17.903 -5.357 1008 H VAL 117 H VAL 117 -11.877 20.608 -2.531 1009 HA VAL 117 HA VAL 117 -11.393 18.419 -0.753 1010 HB VAL 117 HB VAL 117 -12.659 21.121 -0.123 1011 HG11 VAL 117 HG11 VAL 117 -11.403 19.048 1.709 1012 HG12 VAL 117 HG12 VAL 117 -13.116 19.459 1.614 1013 HG13 VAL 117 HG13 VAL 117 -11.958 20.648 2.207 1014 HG21 VAL 117 HG21 VAL 117 -10.394 21.409 -1.094 1015 HG22 VAL 117 HG22 VAL 117 -9.730 20.296 0.102 1016 HG23 VAL 117 HG23 VAL 117 -10.411 21.839 0.619 1017 H LYS 118 H LYS 118 -12.783 16.778 -0.683 1018 HA LYS 118 HA LYS 118 -15.657 17.085 -1.097 1019 HB2 LYS 118 HB2 LYS 118 -13.815 15.064 -1.747 1020 HB3 LYS 118 HB3 LYS 118 -14.637 14.374 -0.362 1021 HG2 LYS 118 HG2 LYS 118 -15.739 13.608 -2.351 1022 HG3 LYS 118 HG3 LYS 118 -16.823 14.739 -1.536 1023 HD2 LYS 118 HD2 LYS 118 -16.824 15.140 -3.962 1024 HD3 LYS 118 HD3 LYS 118 -16.153 16.532 -3.108 1025 HE2 LYS 118 HE2 LYS 118 -13.851 15.691 -3.643 1026 HE3 LYS 118 HE3 LYS 118 -14.570 14.377 -4.575 1027 HZ1 LYS 118 HZ1 LYS 118 -14.911 17.272 -5.135 1028 HZ2 LYS 118 HZ2 LYS 118 -15.539 16.000 -6.055 1029 HZ3 LYS 118 HZ3 LYS 118 -13.869 16.224 -5.954 1030 H LYS 119 H LYS 119 -17.218 16.372 0.424 1031 HA LYS 119 HA LYS 119 -16.359 16.253 3.257 1032 HB2 LYS 119 HB2 LYS 119 -18.747 17.435 1.883 1033 HB3 LYS 119 HB3 LYS 119 -19.089 16.633 3.406 1034 HG2 LYS 119 HG2 LYS 119 -17.052 18.854 3.056 1035 HG3 LYS 119 HG3 LYS 119 -18.702 19.080 3.630 1036 HD2 LYS 119 HD2 LYS 119 -16.499 17.479 5.005 1037 HD3 LYS 119 HD3 LYS 119 -17.145 19.038 5.521 1038 HE2 LYS 119 HE2 LYS 119 -19.386 17.876 5.834 1039 HE3 LYS 119 HE3 LYS 119 -18.543 16.352 5.551 1040 HZ1 LYS 119 HZ1 LYS 119 -17.207 16.700 7.448 1041 HZ2 LYS 119 HZ2 LYS 119 -18.813 16.931 7.912 1042 HZ3 LYS 119 HZ3 LYS 119 -17.804 18.266 7.678 1043 H TYR 120 H TYR 120 -16.759 14.494 4.437 1044 HA TYR 120 HA TYR 120 -18.220 12.208 3.296 1045 HB2 TYR 120 HB2 TYR 120 -16.386 12.448 5.714 1046 HB3 TYR 120 HB3 TYR 120 -17.296 10.989 5.334 1047 HD1 TYR 120 HD1 TYR 120 -16.211 12.389 2.225 1048 HD2 TYR 120 HD2 TYR 120 -14.786 10.219 5.609 1049 HE1 TYR 120 HE1 TYR 120 -14.321 11.550 0.900 1050 HE2 TYR 120 HE2 TYR 120 -12.899 9.392 4.290 1051 HH TYR 120 HH TYR 120 -12.041 10.646 1.274 1052 H ASP 121 H ASP 121 -20.199 13.497 3.514 1053 HA ASP 121 HA ASP 121 -21.515 13.828 6.032 1054 HB2 ASP 121 HB2 ASP 121 -22.673 13.395 3.232 1055 HB3 ASP 121 HB3 ASP 121 -23.606 13.918 4.634 1056 H LYS 122 H LYS 122 -20.933 11.151 3.902 1057 HA LYS 122 HA LYS 122 -22.627 9.228 5.250 1058 HB2 LYS 122 HB2 LYS 122 -21.526 7.599 3.731 1059 HB3 LYS 122 HB3 LYS 122 -22.126 8.994 2.839 1060 HG2 LYS 122 HG2 LYS 122 -19.803 9.933 2.826 1061 HG3 LYS 122 HG3 LYS 122 -19.242 8.466 3.627 1062 HD2 LYS 122 HD2 LYS 122 -18.755 8.242 1.289 1063 HD3 LYS 122 HD3 LYS 122 -20.081 7.140 1.656 1064 HE2 LYS 122 HE2 LYS 122 -21.689 8.698 0.664 1065 HE3 LYS 122 HE3 LYS 122 -20.414 9.890 0.396 1066 HZ1 LYS 122 HZ1 LYS 122 -20.616 7.215 -0.867 1067 HZ2 LYS 122 HZ2 LYS 122 -19.322 8.282 -1.073 1068 HZ3 LYS 122 HZ3 LYS 122 -20.863 8.706 -1.621 1069 HA PRO 123 HA PRO 123 -19.630 8.384 8.489 1070 HB2 PRO 123 HB2 PRO 123 -20.566 6.053 9.500 1071 HB3 PRO 123 HB3 PRO 123 -21.510 7.548 9.603 1072 HG2 PRO 123 HG2 PRO 123 -21.771 5.275 7.632 1073 HG3 PRO 123 HG3 PRO 123 -23.050 6.134 8.517 1074 HD2 PRO 123 HD2 PRO 123 -22.362 6.712 5.908 1075 HD3 PRO 123 HD3 PRO 123 -23.069 7.905 7.018 1076 H ILE 124 H ILE 124 -17.935 8.169 6.715 1077 HA ILE 124 HA ILE 124 -16.933 5.466 6.248 1078 HB ILE 124 HB ILE 124 -15.772 8.184 5.473 1079 HG12 ILE 124 HG12 ILE 124 -17.141 6.009 3.818 1080 HG13 ILE 124 HG13 ILE 124 -17.795 7.599 4.194 1081 HG21 ILE 124 HG21 ILE 124 -13.916 6.600 5.818 1082 HG22 ILE 124 HG22 ILE 124 -14.105 6.949 4.102 1083 HG23 ILE 124 HG23 ILE 124 -14.696 5.422 4.759 1084 HD11 ILE 124 HD11 ILE 124 -17.015 7.489 1.907 1085 HD12 ILE 124 HD12 ILE 124 -15.402 7.022 2.441 1086 HD13 ILE 124 HD13 ILE 124 -16.028 8.629 2.822 1087 H LYS 125 H LYS 125 -15.461 4.500 7.447 1088 HA LYS 125 HA LYS 125 -14.260 5.898 9.748 1089 HB2 LYS 125 HB2 LYS 125 -14.297 3.821 10.994 1090 HB3 LYS 125 HB3 LYS 125 -15.911 4.141 10.392 1091 HG2 LYS 125 HG2 LYS 125 -13.997 2.174 9.090 1092 HG3 LYS 125 HG3 LYS 125 -15.158 1.719 10.336 1093 HD2 LYS 125 HD2 LYS 125 -15.795 2.800 7.563 1094 HD3 LYS 125 HD3 LYS 125 -16.023 1.147 8.121 1095 HE2 LYS 125 HE2 LYS 125 -17.768 1.880 9.676 1096 HE3 LYS 125 HE3 LYS 125 -17.487 3.568 9.245 1097 HZ1 LYS 125 HZ1 LYS 125 -18.461 1.458 7.405 1098 HZ2 LYS 125 HZ2 LYS 125 -18.205 3.079 7.001 1099 HZ3 LYS 125 HZ3 LYS 125 -19.402 2.668 8.114 1100 HA PRO 126 HA PRO 126 -10.291 5.031 7.929 1101 HB2 PRO 126 HB2 PRO 126 -9.050 5.042 10.623 1102 HB3 PRO 126 HB3 PRO 126 -8.887 6.215 9.312 1103 HG2 PRO 126 HG2 PRO 126 -10.229 6.796 11.578 1104 HG3 PRO 126 HG3 PRO 126 -10.729 7.448 10.001 1105 HD2 PRO 126 HD2 PRO 126 -11.848 5.070 11.504 1106 HD3 PRO 126 HD3 PRO 126 -12.712 6.415 10.720 1107 H LYS 127 H LYS 127 -8.966 3.334 7.475 1108 HA LYS 127 HA LYS 127 -9.428 0.711 8.509 1109 HB2 LYS 127 HB2 LYS 127 -8.413 1.631 6.159 1110 HB3 LYS 127 HB3 LYS 127 -6.887 1.354 6.981 1111 HG2 LYS 127 HG2 LYS 127 -9.033 -0.756 6.521 1112 HG3 LYS 127 HG3 LYS 127 -7.609 -0.527 5.504 1113 HD2 LYS 127 HD2 LYS 127 -6.145 -1.109 7.403 1114 HD3 LYS 127 HD3 LYS 127 -7.552 -1.285 8.455 1115 HE2 LYS 127 HE2 LYS 127 -8.361 -3.152 7.041 1116 HE3 LYS 127 HE3 LYS 127 -6.934 -2.987 6.015 1117 HZ1 LYS 127 HZ1 LYS 127 -6.901 -3.647 8.909 1118 HZ2 LYS 127 HZ2 LYS 127 -5.553 -3.544 7.892 1119 HZ3 LYS 127 HZ3 LYS 127 -6.701 -4.753 7.643 1120 H ARG 128 H ARG 128 -7.329 3.342 9.348 1121 HA ARG 128 HA ARG 128 -6.219 1.922 11.664 1122 HB2 ARG 128 HB2 ARG 128 -3.923 2.636 11.178 1123 HB3 ARG 128 HB3 ARG 128 -4.528 1.682 9.825 1124 HG2 ARG 128 HG2 ARG 128 -5.032 3.831 8.605 1125 HG3 ARG 128 HG3 ARG 128 -4.264 4.708 9.936 1126 HD2 ARG 128 HD2 ARG 128 -2.907 2.636 8.176 1127 HD3 ARG 128 HD3 ARG 128 -2.745 4.385 7.999 1128 HE ARG 128 HE ARG 128 -1.902 4.189 10.458 1129 HH11 ARG 128 HH11 ARG 128 -1.204 1.885 7.902 1130 HH12 ARG 128 HH12 ARG 128 0.356 1.475 8.532 1131 HH21 ARG 128 HH21 ARG 128 0.148 3.665 11.258 1132 HH22 ARG 128 HH22 ARG 128 1.125 2.493 10.434 1133 H LEU 129 H LEU 129 -5.255 3.454 13.188 1134 HA LEU 129 HA LEU 129 -7.005 5.728 13.533 1135 HB2 LEU 129 HB2 LEU 129 -6.113 4.023 15.349 1136 HB3 LEU 129 HB3 LEU 129 -4.680 5.024 15.368 1137 HG LEU 129 HG LEU 129 -6.285 5.512 17.224 1138 HD11 LEU 129 HD11 LEU 129 -6.261 7.942 17.113 1139 HD12 LEU 129 HD12 LEU 129 -5.908 7.883 15.384 1140 HD13 LEU 129 HD13 LEU 129 -4.731 7.271 16.548 1141 HD21 LEU 129 HD21 LEU 129 -8.377 5.055 16.022 1142 HD22 LEU 129 HD22 LEU 129 -8.150 6.511 15.049 1143 HD23 LEU 129 HD23 LEU 129 -8.412 6.642 16.792 1144 H VAL 130 H VAL 130 -6.466 7.822 13.177 1145 HA VAL 130 HA VAL 130 -3.764 8.454 12.152 1146 HB VAL 130 HB VAL 130 -6.289 10.128 11.751 1147 HG11 VAL 130 HG11 VAL 130 -4.986 11.177 9.908 1148 HG12 VAL 130 HG12 VAL 130 -3.589 10.179 10.332 1149 HG13 VAL 130 HG13 VAL 130 -4.194 11.384 11.473 1150 HG21 VAL 130 HG21 VAL 130 -5.125 8.062 9.836 1151 HG22 VAL 130 HG22 VAL 130 -6.446 9.174 9.467 1152 HG23 VAL 130 HG23 VAL 130 -6.661 7.932 10.700 1153 HA PRO 131 HA PRO 131 -3.708 10.724 16.213 1154 HB2 PRO 131 HB2 PRO 131 -1.070 10.415 16.740 1155 HB3 PRO 131 HB3 PRO 131 -2.213 9.081 16.981 1156 HG2 PRO 131 HG2 PRO 131 -0.380 9.600 14.632 1157 HG3 PRO 131 HG3 PRO 131 -0.635 8.088 15.532 1158 HD2 PRO 131 HD2 PRO 131 -1.892 8.615 13.159 1159 HD3 PRO 131 HD3 PRO 131 -2.634 7.616 14.432 1160 H VAL 132 H VAL 132 -1.852 12.435 16.876 1161 HA VAL 132 HA VAL 132 -2.337 14.669 15.292 1162 HB VAL 132 HB VAL 132 -0.708 15.851 16.775 1163 HG11 VAL 132 HG11 VAL 132 -2.630 13.994 18.231 1164 HG12 VAL 132 HG12 VAL 132 -3.036 15.560 17.522 1165 HG13 VAL 132 HG13 VAL 132 -1.934 15.475 18.898 1166 HG21 VAL 132 HG21 VAL 132 0.991 14.075 17.028 1167 HG22 VAL 132 HG22 VAL 132 -0.158 13.080 17.925 1168 HG23 VAL 132 HG23 VAL 132 0.417 14.600 18.614 1169 H GLY 133 H GLY 133 0.338 12.408 15.073 1170 HA2 GLY 133 HA2 GLY 133 2.137 14.087 13.578 1171 HA3 GLY 133 HA3 GLY 133 2.259 12.352 13.806 1172 H GLY 134 H GLY 134 -0.580 12.095 12.726 1173 HA2 GLY 134 HA2 GLY 134 -1.710 11.950 10.709 1174 HA3 GLY 134 HA3 GLY 134 -0.399 12.808 9.910 1175 H GLN 135 H GLN 135 -1.823 10.354 9.078 1176 HA GLN 135 HA GLN 135 0.380 8.358 9.054 1177 HB2 GLN 135 HB2 GLN 135 -2.573 7.917 8.387 1178 HB3 GLN 135 HB3 GLN 135 -1.325 6.671 8.446 1179 HG2 GLN 135 HG2 GLN 135 -2.304 8.308 10.794 1180 HG3 GLN 135 HG3 GLN 135 -2.791 6.652 10.430 1181 HE21 GLN 135 HE21 GLN 135 -0.218 8.709 11.584 1182 HE22 GLN 135 HE22 GLN 135 0.761 7.464 12.248 1183 H TYR 136 H TYR 136 1.332 7.883 7.145 1184 HA TYR 136 HA TYR 136 0.603 9.271 4.719 1185 HB2 TYR 136 HB2 TYR 136 2.887 7.547 5.568 1186 HB3 TYR 136 HB3 TYR 136 2.446 7.365 3.876 1187 HD1 TYR 136 HD1 TYR 136 1.816 9.881 2.804 1188 HD2 TYR 136 HD2 TYR 136 4.715 9.056 5.845 1189 HE1 TYR 136 HE1 TYR 136 3.052 11.904 2.176 1190 HE2 TYR 136 HE2 TYR 136 5.946 11.091 5.211 1191 HH TYR 136 HH TYR 136 6.203 12.532 3.201 1192 H LEU 137 H LEU 137 -1.117 8.683 3.614 1193 HA LEU 137 HA LEU 137 -2.247 6.021 3.763 1194 HB2 LEU 137 HB2 LEU 137 -3.423 8.466 3.474 1195 HB3 LEU 137 HB3 LEU 137 -3.300 8.034 1.783 1196 HG LEU 137 HG LEU 137 -4.877 6.592 3.953 1197 HD11 LEU 137 HD11 LEU 137 -5.779 7.920 1.384 1198 HD12 LEU 137 HD12 LEU 137 -5.964 8.564 3.018 1199 HD13 LEU 137 HD13 LEU 137 -6.821 7.099 2.551 1200 HD21 LEU 137 HD21 LEU 137 -5.607 4.936 2.274 1201 HD22 LEU 137 HD22 LEU 137 -3.874 4.833 2.566 1202 HD23 LEU 137 HD23 LEU 137 -4.472 5.613 1.103 1203 H ARG 138 H ARG 138 -1.379 4.469 2.544 1204 HA ARG 138 HA ARG 138 -0.616 5.029 -0.255 1205 HB2 ARG 138 HB2 ARG 138 1.284 3.603 -0.144 1206 HB3 ARG 138 HB3 ARG 138 1.405 4.617 1.281 1207 HG2 ARG 138 HG2 ARG 138 0.432 1.732 1.254 1208 HG3 ARG 138 HG3 ARG 138 2.068 2.251 1.663 1209 HD2 ARG 138 HD2 ARG 138 1.258 3.432 3.634 1210 HD3 ARG 138 HD3 ARG 138 -0.421 3.079 3.205 1211 HE ARG 138 HE ARG 138 1.522 1.278 4.396 1212 HH11 ARG 138 HH11 ARG 138 -1.607 1.494 2.785 1213 HH12 ARG 138 HH12 ARG 138 -2.104 -0.084 3.292 1214 HH21 ARG 138 HH21 ARG 138 0.852 -0.786 5.037 1215 HH22 ARG 138 HH22 ARG 138 -0.718 -1.369 4.583 1216 H GLU 139 H GLU 139 -1.426 3.565 -1.778 1217 HA GLU 139 HA GLU 139 -3.369 1.626 -0.673 1218 HB2 GLU 139 HB2 GLU 139 -3.994 3.294 -2.524 1219 HB3 GLU 139 HB3 GLU 139 -3.004 2.327 -3.609 1220 HG2 GLU 139 HG2 GLU 139 -5.321 1.686 -3.864 1221 HG3 GLU 139 HG3 GLU 139 -4.425 0.349 -3.147 Start of MODEL 17 1 H MET 1 H MET 1 3.746 -1.068 -1.346 2 HA MET 1 HA MET 1 2.836 -0.468 -3.461 3 HB2 MET 1 HB2 MET 1 0.475 0.328 -1.742 4 HB3 MET 1 HB3 MET 1 0.724 1.101 -3.302 5 HG2 MET 1 HG2 MET 1 -0.868 -0.837 -3.335 6 HG3 MET 1 HG3 MET 1 0.475 -0.972 -4.473 7 HE1 MET 1 HE1 MET 1 0.288 -4.737 -3.658 8 HE2 MET 1 HE2 MET 1 0.580 -3.519 -4.903 9 HE3 MET 1 HE3 MET 1 -0.993 -3.618 -4.112 10 H SER 2 H SER 2 4.655 0.675 -3.580 11 HA SER 2 HA SER 2 5.495 2.532 -1.564 12 HB2 SER 2 HB2 SER 2 6.811 1.797 -4.218 13 HB3 SER 2 HB3 SER 2 7.603 2.574 -2.841 14 HG SER 2 HG SER 2 7.207 0.696 -1.632 15 H LYS 3 H LYS 3 3.822 2.897 -4.560 16 HA LYS 3 HA LYS 3 4.695 5.489 -5.340 17 HB2 LYS 3 HB2 LYS 3 2.624 5.576 -6.716 18 HB3 LYS 3 HB3 LYS 3 3.518 4.080 -6.945 19 HG2 LYS 3 HG2 LYS 3 1.919 2.780 -5.822 20 HG3 LYS 3 HG3 LYS 3 1.226 4.164 -4.970 21 HD2 LYS 3 HD2 LYS 3 0.988 3.772 -7.982 22 HD3 LYS 3 HD3 LYS 3 -0.205 3.169 -6.826 23 HE2 LYS 3 HE2 LYS 3 -0.517 5.520 -5.998 24 HE3 LYS 3 HE3 LYS 3 0.563 6.078 -7.284 25 HZ1 LYS 3 HZ1 LYS 3 -1.024 5.080 -8.878 26 HZ2 LYS 3 HZ2 LYS 3 -1.687 6.336 -7.962 27 HZ3 LYS 3 HZ3 LYS 3 -2.056 4.730 -7.585 28 H ILE 4 H ILE 4 2.725 4.498 -2.708 29 HA ILE 4 HA ILE 4 1.433 5.515 -1.151 30 HB ILE 4 HB ILE 4 2.497 8.175 -2.251 31 HG12 ILE 4 HG12 ILE 4 4.381 6.655 -1.701 32 HG13 ILE 4 HG13 ILE 4 4.334 8.028 -0.605 33 HG21 ILE 4 HG21 ILE 4 2.194 9.081 0.052 34 HG22 ILE 4 HG22 ILE 4 1.420 7.568 0.535 35 HG23 ILE 4 HG23 ILE 4 0.663 8.597 -0.683 36 HD11 ILE 4 HD11 ILE 4 4.888 5.958 0.544 37 HD12 ILE 4 HD12 ILE 4 3.371 5.235 0.015 38 HD13 ILE 4 HD13 ILE 4 3.354 6.605 1.131 39 H VAL 5 H VAL 5 -0.555 7.375 -1.149 40 HA VAL 5 HA VAL 5 -1.328 8.167 -3.871 41 HB VAL 5 HB VAL 5 -3.846 8.025 -3.112 42 HG11 VAL 5 HG11 VAL 5 -4.113 5.758 -4.066 43 HG12 VAL 5 HG12 VAL 5 -2.362 5.515 -3.956 44 HG13 VAL 5 HG13 VAL 5 -3.018 6.767 -5.014 45 HG21 VAL 5 HG21 VAL 5 -2.704 5.844 -1.338 46 HG22 VAL 5 HG22 VAL 5 -4.418 6.157 -1.619 47 HG23 VAL 5 HG23 VAL 5 -3.428 7.353 -0.780 48 H GLY 6 H GLY 6 -1.643 8.562 -0.364 49 HA2 GLY 6 HA2 GLY 6 -1.299 11.396 -0.558 50 HA3 GLY 6 HA3 GLY 6 -2.941 10.934 -0.133 51 H VAL 7 H VAL 7 -2.399 12.211 1.745 52 HA VAL 7 HA VAL 7 -1.386 10.480 3.902 53 HB VAL 7 HB VAL 7 0.328 12.269 3.356 54 HG11 VAL 7 HG11 VAL 7 -1.754 14.246 4.354 55 HG12 VAL 7 HG12 VAL 7 -1.170 14.102 2.695 56 HG13 VAL 7 HG13 VAL 7 -0.069 14.615 3.973 57 HG21 VAL 7 HG21 VAL 7 0.274 11.247 5.595 58 HG22 VAL 7 HG22 VAL 7 -0.878 12.467 6.143 59 HG23 VAL 7 HG23 VAL 7 0.763 12.944 5.695 60 H THR 8 H THR 8 -2.601 10.574 5.752 61 HA THR 8 HA THR 8 -5.017 12.269 5.757 62 HB THR 8 HB THR 8 -5.744 9.976 5.609 63 HG1 THR 8 HG1 THR 8 -6.906 11.271 7.108 64 HG21 THR 8 HG21 THR 8 -3.716 8.799 6.331 65 HG22 THR 8 HG22 THR 8 -5.115 8.221 7.238 66 HG23 THR 8 HG23 THR 8 -3.971 9.333 7.996 67 H TYR 9 H TYR 9 -5.383 13.520 7.489 68 HA TYR 9 HA TYR 9 -3.636 13.339 9.865 69 HB2 TYR 9 HB2 TYR 9 -3.961 15.700 8.028 70 HB3 TYR 9 HB3 TYR 9 -3.961 16.056 9.744 71 HD1 TYR 9 HD1 TYR 9 -1.882 14.889 6.911 72 HD2 TYR 9 HD2 TYR 9 -1.942 15.770 11.094 73 HE1 TYR 9 HE1 TYR 9 0.580 14.912 6.947 74 HE2 TYR 9 HE2 TYR 9 0.510 15.789 11.127 75 HH TYR 9 HH TYR 9 2.368 14.705 9.728 76 HA PRO 10 HA PRO 10 -7.528 13.724 12.116 77 HB2 PRO 10 HB2 PRO 10 -6.546 14.897 14.446 78 HB3 PRO 10 HB3 PRO 10 -6.460 13.167 14.092 79 HG2 PRO 10 HG2 PRO 10 -4.343 15.288 13.692 80 HG3 PRO 10 HG3 PRO 10 -4.175 13.660 14.387 81 HD2 PRO 10 HD2 PRO 10 -3.445 14.157 11.861 82 HD3 PRO 10 HD3 PRO 10 -4.249 12.625 12.280 83 H ILE 11 H ILE 11 -5.341 16.388 11.556 84 HA ILE 11 HA ILE 11 -5.570 18.530 10.962 85 HB ILE 11 HB ILE 11 -8.504 17.796 10.672 86 HG12 ILE 11 HG12 ILE 11 -6.984 16.714 9.058 87 HG13 ILE 11 HG13 ILE 11 -8.035 17.864 8.243 88 HG21 ILE 11 HG21 ILE 11 -7.245 20.444 9.867 89 HG22 ILE 11 HG22 ILE 11 -8.471 20.200 11.113 90 HG23 ILE 11 HG23 ILE 11 -8.869 19.903 9.422 91 HD11 ILE 11 HD11 ILE 11 -5.138 18.305 8.964 92 HD12 ILE 11 HD12 ILE 11 -6.186 19.485 8.172 93 HD13 ILE 11 HD13 ILE 11 -5.791 17.970 7.361 94 HA PRO 12 HA PRO 12 -6.257 20.731 14.927 95 HB2 PRO 12 HB2 PRO 12 -6.136 23.303 13.784 96 HB3 PRO 12 HB3 PRO 12 -4.743 22.387 14.372 97 HG2 PRO 12 HG2 PRO 12 -5.806 22.643 11.565 98 HG3 PRO 12 HG3 PRO 12 -4.122 22.668 12.130 99 HD2 PRO 12 HD2 PRO 12 -5.130 20.469 10.997 100 HD3 PRO 12 HD3 PRO 12 -4.049 20.323 12.406 101 H LYS 13 H LYS 13 -8.269 20.741 15.708 102 HA LYS 13 HA LYS 13 -10.544 20.478 14.075 103 HB2 LYS 13 HB2 LYS 13 -10.263 20.802 17.080 104 HB3 LYS 13 HB3 LYS 13 -11.795 20.432 16.288 105 HG2 LYS 13 HG2 LYS 13 -10.976 18.311 15.493 106 HG3 LYS 13 HG3 LYS 13 -9.322 18.692 15.988 107 HD2 LYS 13 HD2 LYS 13 -11.673 18.353 17.897 108 HD3 LYS 13 HD3 LYS 13 -10.494 17.092 17.521 109 HE2 LYS 13 HE2 LYS 13 -8.688 18.495 18.453 110 HE3 LYS 13 HE3 LYS 13 -9.851 19.777 18.797 111 HZ1 LYS 13 HZ1 LYS 13 -9.304 18.411 20.734 112 HZ2 LYS 13 HZ2 LYS 13 -9.966 17.057 19.964 113 HZ3 LYS 13 HZ3 LYS 13 -10.954 18.370 20.357 114 H ARG 14 H ARG 14 -9.293 23.322 15.768 115 HA ARG 14 HA ARG 14 -11.538 25.036 15.520 116 HB2 ARG 14 HB2 ARG 14 -8.559 25.678 15.446 117 HB3 ARG 14 HB3 ARG 14 -9.812 26.918 15.456 118 HG2 ARG 14 HG2 ARG 14 -10.606 26.047 17.654 119 HG3 ARG 14 HG3 ARG 14 -9.265 24.895 17.658 120 HD2 ARG 14 HD2 ARG 14 -7.646 26.714 17.717 121 HD3 ARG 14 HD3 ARG 14 -8.920 27.921 17.503 122 HE ARG 14 HE ARG 14 -8.328 26.376 19.939 123 HH11 ARG 14 HH11 ARG 14 -10.263 28.901 18.400 124 HH12 ARG 14 HH12 ARG 14 -10.835 29.541 19.905 125 HH21 ARG 14 HH21 ARG 14 -9.063 27.248 21.888 126 HH22 ARG 14 HH22 ARG 14 -10.138 28.601 21.893 127 H PHE 15 H PHE 15 -9.093 24.005 13.271 128 HA PHE 15 HA PHE 15 -10.021 25.836 11.144 129 HB2 PHE 15 HB2 PHE 15 -7.374 24.329 11.335 130 HB3 PHE 15 HB3 PHE 15 -7.780 25.630 10.218 131 HD1 PHE 15 HD1 PHE 15 -8.757 27.822 11.604 132 HD2 PHE 15 HD2 PHE 15 -5.899 24.985 13.034 133 HE1 PHE 15 HE1 PHE 15 -7.921 29.471 13.221 134 HE2 PHE 15 HE2 PHE 15 -5.072 26.638 14.657 135 HZ PHE 15 HZ PHE 15 -6.083 28.881 14.750 136 H MET 16 H MET 16 -10.993 23.031 12.049 137 HA MET 16 HA MET 16 -10.612 21.221 9.885 138 HB2 MET 16 HB2 MET 16 -11.371 20.450 12.072 139 HB3 MET 16 HB3 MET 16 -12.816 21.439 11.978 140 HG2 MET 16 HG2 MET 16 -12.318 19.222 9.994 141 HG3 MET 16 HG3 MET 16 -13.027 18.896 11.570 142 HE1 MET 16 HE1 MET 16 -15.434 19.802 12.341 143 HE2 MET 16 HE2 MET 16 -16.409 20.901 11.366 144 HE3 MET 16 HE3 MET 16 -14.886 21.457 12.060 145 H ASP 17 H ASP 17 -12.784 23.903 10.456 146 HA ASP 17 HA ASP 17 -14.771 23.411 8.489 147 HB2 ASP 17 HB2 ASP 17 -15.495 25.693 8.892 148 HB3 ASP 17 HB3 ASP 17 -15.014 24.998 10.435 149 H ARG 18 H ARG 18 -11.608 24.808 8.321 150 HA ARG 18 HA ARG 18 -11.913 26.837 6.458 151 HB2 ARG 18 HB2 ARG 18 -9.463 25.106 6.979 152 HB3 ARG 18 HB3 ARG 18 -9.451 26.684 6.183 153 HG2 ARG 18 HG2 ARG 18 -10.376 26.192 9.026 154 HG3 ARG 18 HG3 ARG 18 -8.767 26.745 8.565 155 HD2 ARG 18 HD2 ARG 18 -9.677 28.782 7.623 156 HD3 ARG 18 HD3 ARG 18 -11.328 28.217 7.910 157 HE ARG 18 HE ARG 18 -10.769 28.239 10.333 158 HH11 ARG 18 HH11 ARG 18 -8.938 30.344 8.174 159 HH12 ARG 18 HH12 ARG 18 -8.579 31.501 9.411 160 HH21 ARG 18 HH21 ARG 18 -10.280 29.737 11.936 161 HH22 ARG 18 HH22 ARG 18 -9.348 31.151 11.569 162 H PHE 19 H PHE 19 -10.823 23.517 5.842 163 HA PHE 19 HA PHE 19 -10.175 23.797 3.121 164 HB2 PHE 19 HB2 PHE 19 -11.065 21.263 4.574 165 HB3 PHE 19 HB3 PHE 19 -10.112 21.324 3.099 166 HD1 PHE 19 HD1 PHE 19 -10.018 21.939 6.775 167 HD2 PHE 19 HD2 PHE 19 -7.720 21.649 3.181 168 HE1 PHE 19 HE1 PHE 19 -7.943 21.876 8.096 169 HE2 PHE 19 HE2 PHE 19 -5.657 21.569 4.512 170 HZ PHE 19 HZ PHE 19 -5.763 21.691 6.965 171 H PHE 20 H PHE 20 -13.201 23.250 4.746 172 HA PHE 20 HA PHE 20 -14.688 22.445 2.343 173 HB2 PHE 20 HB2 PHE 20 -15.624 22.721 5.232 174 HB3 PHE 20 HB3 PHE 20 -16.466 21.878 3.936 175 HD1 PHE 20 HD1 PHE 20 -14.708 20.084 2.697 176 HD2 PHE 20 HD2 PHE 20 -14.666 21.279 6.801 177 HE1 PHE 20 HE1 PHE 20 -13.536 18.008 3.294 178 HE2 PHE 20 HE2 PHE 20 -13.497 19.197 7.384 179 HZ PHE 20 HZ PHE 20 -12.932 17.562 5.635 180 H LYS 21 H LYS 21 -14.130 25.168 4.413 181 HA LYS 21 HA LYS 21 -16.443 26.754 3.918 182 HB2 LYS 21 HB2 LYS 21 -15.181 27.192 5.905 183 HB3 LYS 21 HB3 LYS 21 -13.663 27.301 5.037 184 HG2 LYS 21 HG2 LYS 21 -15.775 29.388 4.508 185 HG3 LYS 21 HG3 LYS 21 -14.881 29.460 6.027 186 HD2 LYS 21 HD2 LYS 21 -12.753 29.638 4.813 187 HD3 LYS 21 HD3 LYS 21 -13.576 29.440 3.267 188 HE2 LYS 21 HE2 LYS 21 -14.802 31.581 3.711 189 HE3 LYS 21 HE3 LYS 21 -13.841 31.783 5.180 190 HZ1 LYS 21 HZ1 LYS 21 -11.846 31.864 3.836 191 HZ2 LYS 21 HZ2 LYS 21 -12.946 33.029 3.297 192 HZ3 LYS 21 HZ3 LYS 21 -12.739 31.597 2.423 193 H LYS 22 H LYS 22 -13.262 26.521 2.399 194 HA LYS 22 HA LYS 22 -13.903 28.716 0.504 195 HB2 LYS 22 HB2 LYS 22 -11.448 28.988 0.310 196 HB3 LYS 22 HB3 LYS 22 -12.008 29.164 1.970 197 HG2 LYS 22 HG2 LYS 22 -11.357 26.685 2.270 198 HG3 LYS 22 HG3 LYS 22 -10.504 26.844 0.740 199 HD2 LYS 22 HD2 LYS 22 -8.915 27.144 2.524 200 HD3 LYS 22 HD3 LYS 22 -9.150 28.708 1.749 201 HE2 LYS 22 HE2 LYS 22 -10.424 29.527 3.595 202 HE3 LYS 22 HE3 LYS 22 -10.638 27.910 4.267 203 HZ1 LYS 22 HZ1 LYS 22 -8.012 29.277 4.053 204 HZ2 LYS 22 HZ2 LYS 22 -8.333 27.812 4.828 205 HZ3 LYS 22 HZ3 LYS 22 -8.967 29.254 5.447 206 H GLY 23 H GLY 23 -13.349 25.318 0.689 207 HA2 GLY 23 HA2 GLY 23 -13.559 23.695 -0.942 208 HA3 GLY 23 HA3 GLY 23 -13.749 24.955 -2.152 209 H LYS 24 H LYS 24 -11.064 26.013 -0.919 210 HA LYS 24 HA LYS 24 -9.087 24.097 -1.841 211 HB2 LYS 24 HB2 LYS 24 -9.537 25.212 -3.952 212 HB3 LYS 24 HB3 LYS 24 -9.492 26.806 -3.194 213 HG2 LYS 24 HG2 LYS 24 -7.101 26.622 -2.811 214 HG3 LYS 24 HG3 LYS 24 -7.096 24.941 -3.353 215 HD2 LYS 24 HD2 LYS 24 -7.705 25.684 -5.634 216 HD3 LYS 24 HD3 LYS 24 -7.702 27.367 -5.086 217 HE2 LYS 24 HE2 LYS 24 -5.321 27.258 -4.604 218 HE3 LYS 24 HE3 LYS 24 -5.285 25.527 -4.946 219 HZ1 LYS 24 HZ1 LYS 24 -5.861 27.675 -6.906 220 HZ2 LYS 24 HZ2 LYS 24 -5.841 26.015 -7.242 221 HZ3 LYS 24 HZ3 LYS 24 -4.415 26.801 -6.776 222 H ASP 25 H ASP 25 -7.894 24.044 -0.061 223 HA ASP 25 HA ASP 25 -7.333 26.498 1.499 224 HB2 ASP 25 HB2 ASP 25 -8.637 24.565 2.545 225 HB3 ASP 25 HB3 ASP 25 -7.174 23.600 2.416 226 H VAL 26 H VAL 26 -5.147 26.281 2.747 227 HA VAL 26 HA VAL 26 -3.074 24.788 1.251 228 HB VAL 26 HB VAL 26 -2.819 27.699 2.160 229 HG11 VAL 26 HG11 VAL 26 -0.719 26.524 2.619 230 HG12 VAL 26 HG12 VAL 26 -0.502 27.621 1.255 231 HG13 VAL 26 HG13 VAL 26 -0.679 25.887 0.972 232 HG21 VAL 26 HG21 VAL 26 -2.723 26.500 -0.637 233 HG22 VAL 26 HG22 VAL 26 -2.447 28.198 -0.239 234 HG23 VAL 26 HG23 VAL 26 -4.032 27.478 0.035 235 H PHE 27 H PHE 27 -2.423 23.323 2.685 236 HA PHE 27 HA PHE 27 -2.583 23.814 5.570 237 HB2 PHE 27 HB2 PHE 27 -3.545 21.716 4.607 238 HB3 PHE 27 HB3 PHE 27 -1.947 21.245 4.047 239 HD1 PHE 27 HD1 PHE 27 -3.917 21.996 7.124 240 HD2 PHE 27 HD2 PHE 27 -0.498 20.025 5.486 241 HE1 PHE 27 HE1 PHE 27 -3.525 20.884 9.276 242 HE2 PHE 27 HE2 PHE 27 -0.120 18.906 7.636 243 HZ PHE 27 HZ PHE 27 -1.630 19.330 9.537 244 H VAL 28 H VAL 28 -0.844 24.784 6.433 245 HA VAL 28 HA VAL 28 1.837 24.335 5.323 246 HB VAL 28 HB VAL 28 2.564 26.250 6.768 247 HG11 VAL 28 HG11 VAL 28 1.962 26.637 4.424 248 HG12 VAL 28 HG12 VAL 28 1.457 28.017 5.402 249 HG13 VAL 28 HG13 VAL 28 0.259 26.836 4.862 250 HG21 VAL 28 HG21 VAL 28 0.886 26.110 8.563 251 HG22 VAL 28 HG22 VAL 28 -0.405 26.528 7.431 252 HG23 VAL 28 HG23 VAL 28 0.849 27.713 7.823 253 H LYS 29 H LYS 29 3.382 23.280 6.331 254 HA LYS 29 HA LYS 29 3.108 22.384 9.124 255 HB2 LYS 29 HB2 LYS 29 2.331 20.585 7.514 256 HB3 LYS 29 HB3 LYS 29 3.929 20.594 6.772 257 HG2 LYS 29 HG2 LYS 29 3.728 18.722 8.312 258 HG3 LYS 29 HG3 LYS 29 4.918 19.873 8.916 259 HD2 LYS 29 HD2 LYS 29 3.526 19.047 10.756 260 HD3 LYS 29 HD3 LYS 29 3.251 20.770 10.516 261 HE2 LYS 29 HE2 LYS 29 1.186 20.158 9.187 262 HE3 LYS 29 HE3 LYS 29 1.437 18.484 9.683 263 HZ1 LYS 29 HZ1 LYS 29 -0.140 19.599 11.104 264 HZ2 LYS 29 HZ2 LYS 29 0.998 20.783 11.506 265 HZ3 LYS 29 HZ3 LYS 29 1.239 19.179 11.984 266 HA PRO 30 HA PRO 30 7.502 23.753 8.938 267 HB2 PRO 30 HB2 PRO 30 8.244 23.079 11.497 268 HB3 PRO 30 HB3 PRO 30 7.289 24.522 11.121 269 HG2 PRO 30 HG2 PRO 30 6.349 21.816 12.085 270 HG3 PRO 30 HG3 PRO 30 5.872 23.430 12.657 271 HD2 PRO 30 HD2 PRO 30 4.326 22.031 10.924 272 HD3 PRO 30 HD3 PRO 30 4.444 23.804 10.833 273 H ALA 31 H ALA 31 7.383 21.742 7.378 274 HA ALA 31 HA ALA 31 8.409 19.960 6.438 275 HB1 ALA 31 HB1 ALA 31 10.367 21.397 6.836 276 HB2 ALA 31 HB2 ALA 31 10.795 19.687 6.905 277 HB3 ALA 31 HB3 ALA 31 10.627 20.615 8.400 278 H THR 32 H THR 32 6.830 19.391 9.027 279 HA THR 32 HA THR 32 8.119 17.236 10.391 280 HB THR 32 HB THR 32 5.136 17.854 10.376 281 HG1 THR 32 HG1 THR 32 7.272 19.071 11.819 282 HG21 THR 32 HG21 THR 32 6.909 16.607 12.512 283 HG22 THR 32 HG22 THR 32 5.711 15.749 11.537 284 HG23 THR 32 HG23 THR 32 5.197 16.980 12.694 285 H VAL 33 H VAL 33 6.005 17.426 7.583 286 HA VAL 33 HA VAL 33 5.739 14.519 7.383 287 HB VAL 33 HB VAL 33 4.938 16.194 5.012 288 HG11 VAL 33 HG11 VAL 33 3.016 14.643 4.969 289 HG12 VAL 33 HG12 VAL 33 3.568 13.917 6.480 290 HG13 VAL 33 HG13 VAL 33 4.555 13.780 5.024 291 HG21 VAL 33 HG21 VAL 33 4.169 17.669 6.820 292 HG22 VAL 33 HG22 VAL 33 3.303 16.332 7.571 293 HG23 VAL 33 HG23 VAL 33 2.798 16.932 5.990 294 H TRP 34 H TRP 34 6.673 13.328 5.631 295 HA TRP 34 HA TRP 34 9.365 14.266 4.963 296 HB2 TRP 34 HB2 TRP 34 8.081 11.529 4.557 297 HB3 TRP 34 HB3 TRP 34 9.783 11.908 4.326 298 HD1 TRP 34 HD1 TRP 34 7.164 11.619 7.169 299 HE1 TRP 34 HE1 TRP 34 8.397 11.093 9.360 300 HE3 TRP 34 HE3 TRP 34 11.990 11.988 5.501 301 HZ2 TRP 34 HZ2 TRP 34 11.050 10.849 10.270 302 HZ3 TRP 34 HZ3 TRP 34 13.821 11.584 7.100 303 HH2 TRP 34 HH2 TRP 34 13.361 11.026 9.439 304 H LYS 35 H LYS 35 9.852 12.761 2.620 305 HA LYS 35 HA LYS 35 9.103 14.766 0.712 306 HB2 LYS 35 HB2 LYS 35 10.629 13.567 -0.831 307 HB3 LYS 35 HB3 LYS 35 11.374 13.886 0.728 308 HG2 LYS 35 HG2 LYS 35 11.231 11.599 1.396 309 HG3 LYS 35 HG3 LYS 35 10.109 11.207 0.095 310 HD2 LYS 35 HD2 LYS 35 12.375 10.329 -0.358 311 HD3 LYS 35 HD3 LYS 35 11.878 11.507 -1.575 312 HE2 LYS 35 HE2 LYS 35 13.247 13.239 -0.409 313 HE3 LYS 35 HE3 LYS 35 13.775 12.013 0.749 314 HZ1 LYS 35 HZ1 LYS 35 15.386 12.376 -1.021 315 HZ2 LYS 35 HZ2 LYS 35 14.241 11.922 -2.183 316 HZ3 LYS 35 HZ3 LYS 35 14.791 10.793 -1.048 317 H GLU 36 H GLU 36 7.384 12.046 1.612 318 HA GLU 36 HA GLU 36 6.466 10.950 -0.829 319 HB2 GLU 36 HB2 GLU 36 5.127 11.129 1.902 320 HB3 GLU 36 HB3 GLU 36 4.376 10.298 0.546 321 HG2 GLU 36 HG2 GLU 36 5.439 8.683 1.982 322 HG3 GLU 36 HG3 GLU 36 6.270 8.727 0.435 323 H LEU 37 H LEU 37 5.615 13.847 0.891 324 HA LEU 37 HA LEU 37 3.200 14.491 -0.442 325 HB2 LEU 37 HB2 LEU 37 5.062 15.836 1.458 326 HB3 LEU 37 HB3 LEU 37 4.128 16.927 0.461 327 HG LEU 37 HG LEU 37 3.134 16.377 2.738 328 HD11 LEU 37 HD11 LEU 37 1.445 15.817 0.287 329 HD12 LEU 37 HD12 LEU 37 1.817 17.398 0.982 330 HD13 LEU 37 HD13 LEU 37 0.840 16.250 1.891 331 HD21 LEU 37 HD21 LEU 37 1.930 14.279 3.025 332 HD22 LEU 37 HD22 LEU 37 3.639 13.949 2.747 333 HD23 LEU 37 HD23 LEU 37 2.472 13.705 1.444 334 H LYS 38 H LYS 38 3.287 14.473 -2.581 335 HA LYS 38 HA LYS 38 5.037 16.353 -4.042 336 HB2 LYS 38 HB2 LYS 38 5.068 14.751 -5.915 337 HB3 LYS 38 HB3 LYS 38 5.645 13.970 -4.457 338 HG2 LYS 38 HG2 LYS 38 4.284 12.278 -5.193 339 HG3 LYS 38 HG3 LYS 38 3.077 13.184 -4.292 340 HD2 LYS 38 HD2 LYS 38 1.970 12.768 -6.295 341 HD3 LYS 38 HD3 LYS 38 2.598 14.387 -6.569 342 HE2 LYS 38 HE2 LYS 38 3.765 11.791 -7.624 343 HE3 LYS 38 HE3 LYS 38 2.898 13.004 -8.561 344 HZ1 LYS 38 HZ1 LYS 38 5.203 13.263 -8.944 345 HZ2 LYS 38 HZ2 LYS 38 5.567 13.272 -7.294 346 HZ3 LYS 38 HZ3 LYS 38 4.724 14.568 -7.984 347 HA PRO 39 HA PRO 39 1.153 18.093 -5.536 348 HB2 PRO 39 HB2 PRO 39 1.839 19.085 -7.988 349 HB3 PRO 39 HB3 PRO 39 2.406 19.811 -6.480 350 HG2 PRO 39 HG2 PRO 39 3.843 17.917 -8.329 351 HG3 PRO 39 HG3 PRO 39 4.455 19.390 -7.547 352 HD2 PRO 39 HD2 PRO 39 4.953 16.877 -6.572 353 HD3 PRO 39 HD3 PRO 39 4.825 18.309 -5.517 354 H GLY 40 H GLY 40 -0.320 16.493 -5.826 355 HA2 GLY 40 HA2 GLY 40 -1.744 15.750 -7.804 356 HA3 GLY 40 HA3 GLY 40 -0.316 14.842 -8.295 357 H MET 41 H MET 41 -1.351 15.278 -4.959 358 HA MET 41 HA MET 41 -1.918 12.373 -4.701 359 HB2 MET 41 HB2 MET 41 -0.791 14.347 -2.666 360 HB3 MET 41 HB3 MET 41 -1.256 12.697 -2.274 361 HG2 MET 41 HG2 MET 41 0.492 11.799 -3.624 362 HG3 MET 41 HG3 MET 41 0.841 13.378 -4.332 363 HE1 MET 41 HE1 MET 41 1.143 11.140 -1.085 364 HE2 MET 41 HE2 MET 41 0.203 12.501 -0.467 365 HE3 MET 41 HE3 MET 41 1.867 12.281 0.056 366 H LYS 42 H LYS 42 -3.189 12.144 -2.435 367 HA LYS 42 HA LYS 42 -5.524 13.973 -2.393 368 HB2 LYS 42 HB2 LYS 42 -6.726 11.990 -1.302 369 HB3 LYS 42 HB3 LYS 42 -6.370 11.817 -3.013 370 HG2 LYS 42 HG2 LYS 42 -4.506 10.358 -2.534 371 HG3 LYS 42 HG3 LYS 42 -4.661 10.668 -0.816 372 HD2 LYS 42 HD2 LYS 42 -5.540 8.427 -1.529 373 HD3 LYS 42 HD3 LYS 42 -6.740 9.430 -0.695 374 HE2 LYS 42 HE2 LYS 42 -7.798 9.996 -2.791 375 HE3 LYS 42 HE3 LYS 42 -6.509 9.230 -3.710 376 HZ1 LYS 42 HZ1 LYS 42 -8.414 7.832 -1.910 377 HZ2 LYS 42 HZ2 LYS 42 -7.203 7.093 -2.829 378 HZ3 LYS 42 HZ3 LYS 42 -8.496 7.860 -3.596 379 H PHE 43 H PHE 43 -6.422 14.387 -0.279 380 HA PHE 43 HA PHE 43 -4.678 13.773 2.035 381 HB2 PHE 43 HB2 PHE 43 -4.272 16.135 1.026 382 HB3 PHE 43 HB3 PHE 43 -5.847 16.553 1.667 383 HD1 PHE 43 HD1 PHE 43 -5.835 15.356 4.378 384 HD2 PHE 43 HD2 PHE 43 -2.670 17.299 2.256 385 HE1 PHE 43 HE1 PHE 43 -4.799 16.009 6.501 386 HE2 PHE 43 HE2 PHE 43 -1.645 17.945 4.391 387 HZ PHE 43 HZ PHE 43 -2.708 17.305 6.512 388 H VAL 44 H VAL 44 -6.076 12.428 3.034 389 HA VAL 44 HA VAL 44 -8.928 13.040 3.165 390 HB VAL 44 HB VAL 44 -7.417 10.650 4.315 391 HG11 VAL 44 HG11 VAL 44 -9.641 9.565 4.385 392 HG12 VAL 44 HG12 VAL 44 -10.390 11.059 3.813 393 HG13 VAL 44 HG13 VAL 44 -9.603 11.016 5.394 394 HG21 VAL 44 HG21 VAL 44 -8.215 9.420 2.305 395 HG22 VAL 44 HG22 VAL 44 -7.149 10.753 1.860 396 HG23 VAL 44 HG23 VAL 44 -8.896 10.914 1.656 397 H PHE 45 H PHE 45 -9.849 14.064 4.789 398 HA PHE 45 HA PHE 45 -8.318 14.883 7.132 399 HB2 PHE 45 HB2 PHE 45 -11.124 15.730 6.290 400 HB3 PHE 45 HB3 PHE 45 -10.095 16.515 7.489 401 HD1 PHE 45 HD1 PHE 45 -7.551 16.930 6.358 402 HD2 PHE 45 HD2 PHE 45 -11.313 17.007 4.340 403 HE1 PHE 45 HE1 PHE 45 -6.587 18.356 4.614 404 HE2 PHE 45 HE2 PHE 45 -10.330 18.426 2.603 405 HZ PHE 45 HZ PHE 45 -7.978 19.106 2.738 406 H TYR 46 H TYR 46 -8.268 13.477 8.673 407 HA TYR 46 HA TYR 46 -10.309 11.559 9.330 408 HB2 TYR 46 HB2 TYR 46 -7.968 10.931 9.488 409 HB3 TYR 46 HB3 TYR 46 -7.623 12.273 10.569 410 HD1 TYR 46 HD1 TYR 46 -9.691 9.118 10.393 411 HD2 TYR 46 HD2 TYR 46 -7.570 11.856 12.906 412 HE1 TYR 46 HE1 TYR 46 -10.025 7.641 12.318 413 HE2 TYR 46 HE2 TYR 46 -7.920 10.362 14.827 414 HH TYR 46 HH TYR 46 -9.019 7.145 14.446 415 H GLN 47 H GLN 47 -11.255 11.321 11.391 416 HA GLN 47 HA GLN 47 -12.713 11.888 12.951 417 HB2 GLN 47 HB2 GLN 47 -11.941 12.975 14.885 418 HB3 GLN 47 HB3 GLN 47 -10.462 12.384 14.140 419 HG2 GLN 47 HG2 GLN 47 -9.997 14.637 13.279 420 HG3 GLN 47 HG3 GLN 47 -11.499 15.229 13.988 421 HE21 GLN 47 HE21 GLN 47 -8.800 16.149 14.477 422 HE22 GLN 47 HE22 GLN 47 -8.529 15.964 16.172 423 H SER 48 H SER 48 -13.633 14.203 14.147 424 HA SER 48 HA SER 48 -14.210 16.303 12.287 425 HB2 SER 48 HB2 SER 48 -15.609 14.401 11.368 426 HB3 SER 48 HB3 SER 48 -16.486 14.348 12.898 427 HG SER 48 HG SER 48 -16.679 16.104 10.802 428 H HIS 49 H HIS 49 -16.564 17.288 13.348 429 HA HIS 49 HA HIS 49 -16.097 18.294 15.907 430 HB2 HIS 49 HB2 HIS 49 -17.734 19.378 14.513 431 HB3 HIS 49 HB3 HIS 49 -18.654 17.893 14.303 432 HD1 HIS 49 HD1 HIS 49 -20.832 18.132 15.462 433 HD2 HIS 49 HD2 HIS 49 -17.772 19.960 17.605 434 HE1 HIS 49 HE1 HIS 49 -21.893 18.941 17.593 435 HE2 HIS 49 HE2 HIS 49 -19.992 19.886 18.938 436 H GLU 50 H GLU 50 -17.712 15.349 14.853 437 HA GLU 50 HA GLU 50 -17.848 14.332 17.630 438 HB2 GLU 50 HB2 GLU 50 -19.947 13.877 15.448 439 HB3 GLU 50 HB3 GLU 50 -19.977 13.176 17.070 440 HG2 GLU 50 HG2 GLU 50 -20.185 15.417 18.047 441 HG3 GLU 50 HG3 GLU 50 -20.114 16.143 16.444 442 H ASP 51 H ASP 51 -18.284 11.848 17.502 443 HA ASP 51 HA ASP 51 -16.001 10.661 16.193 444 HB2 ASP 51 HB2 ASP 51 -16.667 10.058 18.528 445 HB3 ASP 51 HB3 ASP 51 -18.178 9.384 17.925 446 H THR 52 H THR 52 -16.595 10.982 13.977 447 HA THR 52 HA THR 52 -18.656 9.127 12.889 448 HB THR 52 HB THR 52 -18.821 10.775 10.945 449 HG1 THR 52 HG1 THR 52 -17.141 12.127 11.044 450 HG21 THR 52 HG21 THR 52 -20.567 10.746 12.693 451 HG22 THR 52 HG22 THR 52 -20.280 12.390 12.115 452 HG23 THR 52 HG23 THR 52 -19.617 11.873 13.667 453 H GLY 53 H GLY 53 -15.479 9.294 13.296 454 HA2 GLY 53 HA2 GLY 53 -13.869 7.882 12.366 455 HA3 GLY 53 HA3 GLY 53 -14.865 7.672 10.935 456 H PHE 54 H PHE 54 -15.154 9.727 9.630 457 HA PHE 54 HA PHE 54 -12.777 11.496 9.596 458 HB2 PHE 54 HB2 PHE 54 -14.088 10.208 7.155 459 HB3 PHE 54 HB3 PHE 54 -12.849 11.448 7.087 460 HD1 PHE 54 HD1 PHE 54 -10.495 10.897 7.613 461 HD2 PHE 54 HD2 PHE 54 -13.504 7.873 7.631 462 HE1 PHE 54 HE1 PHE 54 -8.753 9.157 7.522 463 HE2 PHE 54 HE2 PHE 54 -11.765 6.152 7.512 464 HZ PHE 54 HZ PHE 54 -9.391 6.783 7.468 465 H VAL 55 H VAL 55 -13.236 13.439 8.097 466 HA VAL 55 HA VAL 55 -16.068 14.306 8.218 467 HB VAL 55 HB VAL 55 -14.718 15.635 9.750 468 HG11 VAL 55 HG11 VAL 55 -12.959 16.416 7.404 469 HG12 VAL 55 HG12 VAL 55 -12.494 15.388 8.761 470 HG13 VAL 55 HG13 VAL 55 -12.863 17.091 9.035 471 HG21 VAL 55 HG21 VAL 55 -15.493 17.292 7.328 472 HG22 VAL 55 HG22 VAL 55 -15.265 17.904 8.969 473 HG23 VAL 55 HG23 VAL 55 -16.573 16.773 8.622 474 H GLY 56 H GLY 56 -13.102 14.137 6.250 475 HA2 GLY 56 HA2 GLY 56 -14.552 14.117 3.800 476 HA3 GLY 56 HA3 GLY 56 -13.924 15.738 4.080 477 H GLU 57 H GLU 57 -12.793 15.373 2.092 478 HA GLU 57 HA GLU 57 -10.067 14.500 2.533 479 HB2 GLU 57 HB2 GLU 57 -9.924 13.175 0.441 480 HB3 GLU 57 HB3 GLU 57 -11.024 12.428 1.595 481 HG2 GLU 57 HG2 GLU 57 -12.945 13.076 0.358 482 HG3 GLU 57 HG3 GLU 57 -12.034 14.235 -0.605 483 H ALA 58 H ALA 58 -8.813 15.000 0.344 484 HA ALA 58 HA ALA 58 -9.824 17.135 -1.308 485 HB1 ALA 58 HB1 ALA 58 -9.268 18.442 0.683 486 HB2 ALA 58 HB2 ALA 58 -8.139 18.827 -0.620 487 HB3 ALA 58 HB3 ALA 58 -7.640 17.766 0.703 488 H ARG 59 H ARG 59 -7.583 18.121 -2.432 489 HA ARG 59 HA ARG 59 -5.906 15.815 -3.225 490 HB2 ARG 59 HB2 ARG 59 -6.965 18.063 -4.976 491 HB3 ARG 59 HB3 ARG 59 -5.760 16.880 -5.498 492 HG2 ARG 59 HG2 ARG 59 -8.587 16.220 -4.607 493 HG3 ARG 59 HG3 ARG 59 -8.066 16.380 -6.290 494 HD2 ARG 59 HD2 ARG 59 -6.366 14.485 -5.706 495 HD3 ARG 59 HD3 ARG 59 -7.354 14.216 -4.264 496 HE ARG 59 HE ARG 59 -7.928 13.404 -6.939 497 HH11 ARG 59 HH11 ARG 59 -9.614 14.508 -4.041 498 HH12 ARG 59 HH12 ARG 59 -11.095 13.725 -4.482 499 HH21 ARG 59 HH21 ARG 59 -9.874 12.440 -7.494 500 HH22 ARG 59 HH22 ARG 59 -11.236 12.543 -6.423 501 H ILE 60 H ILE 60 -3.877 16.101 -2.704 502 HA ILE 60 HA ILE 60 -2.695 18.602 -1.930 503 HB ILE 60 HB ILE 60 -1.644 15.791 -2.334 504 HG12 ILE 60 HG12 ILE 60 -1.575 17.346 0.260 505 HG13 ILE 60 HG13 ILE 60 -3.065 16.577 -0.248 506 HG21 ILE 60 HG21 ILE 60 0.559 16.496 -1.411 507 HG22 ILE 60 HG22 ILE 60 0.054 18.181 -1.554 508 HG23 ILE 60 HG23 ILE 60 0.220 17.188 -3.000 509 HD11 ILE 60 HD11 ILE 60 -0.432 15.169 0.200 510 HD12 ILE 60 HD12 ILE 60 -1.964 14.409 -0.241 511 HD13 ILE 60 HD13 ILE 60 -1.794 15.217 1.316 512 H LYS 61 H LYS 61 -1.696 19.982 -3.150 513 HA LYS 61 HA LYS 61 -0.684 19.347 -5.851 514 HB2 LYS 61 HB2 LYS 61 -2.341 21.774 -5.021 515 HB3 LYS 61 HB3 LYS 61 -1.616 21.572 -6.598 516 HG2 LYS 61 HG2 LYS 61 -3.754 19.785 -5.414 517 HG3 LYS 61 HG3 LYS 61 -4.032 21.098 -6.555 518 HD2 LYS 61 HD2 LYS 61 -2.350 18.629 -7.157 519 HD3 LYS 61 HD3 LYS 61 -4.051 18.822 -7.594 520 HE2 LYS 61 HE2 LYS 61 -3.388 20.878 -8.909 521 HE3 LYS 61 HE3 LYS 61 -1.704 20.444 -8.610 522 HZ1 LYS 61 HZ1 LYS 61 -2.185 18.289 -9.678 523 HZ2 LYS 61 HZ2 LYS 61 -2.355 19.611 -10.712 524 HZ3 LYS 61 HZ3 LYS 61 -3.727 18.859 -10.078 525 H ARG 62 H ARG 62 0.250 22.036 -6.291 526 HA ARG 62 HA ARG 62 2.834 21.533 -5.739 527 HB2 ARG 62 HB2 ARG 62 3.368 23.753 -6.507 528 HB3 ARG 62 HB3 ARG 62 1.970 23.169 -7.391 529 HG2 ARG 62 HG2 ARG 62 0.696 24.591 -5.465 530 HG3 ARG 62 HG3 ARG 62 2.221 25.479 -5.497 531 HD2 ARG 62 HD2 ARG 62 0.808 26.608 -7.042 532 HD3 ARG 62 HD3 ARG 62 1.859 25.622 -8.070 533 HE ARG 62 HE ARG 62 -0.727 24.522 -7.246 534 HH11 ARG 62 HH11 ARG 62 1.164 25.858 -9.890 535 HH12 ARG 62 HH12 ARG 62 -0.005 25.405 -11.085 536 HH21 ARG 62 HH21 ARG 62 -2.205 23.924 -8.760 537 HH22 ARG 62 HH22 ARG 62 -1.941 24.294 -10.435 538 H VAL 63 H VAL 63 3.933 21.262 -3.961 539 HA VAL 63 HA VAL 63 3.249 22.632 -1.488 540 HB VAL 63 HB VAL 63 4.924 21.153 -0.405 541 HG11 VAL 63 HG11 VAL 63 2.947 19.656 -2.170 542 HG12 VAL 63 HG12 VAL 63 2.598 20.383 -0.600 543 HG13 VAL 63 HG13 VAL 63 3.706 19.014 -0.710 544 HG21 VAL 63 HG21 VAL 63 6.014 19.296 -1.664 545 HG22 VAL 63 HG22 VAL 63 6.563 20.874 -2.227 546 HG23 VAL 63 HG23 VAL 63 5.388 19.968 -3.178 547 H VAL 64 H VAL 64 4.015 24.592 -1.153 548 HA VAL 64 HA VAL 64 6.384 25.616 -2.538 549 HB VAL 64 HB VAL 64 4.418 27.065 -0.700 550 HG11 VAL 64 HG11 VAL 64 5.311 29.158 -1.680 551 HG12 VAL 64 HG12 VAL 64 6.498 28.227 -2.596 552 HG13 VAL 64 HG13 VAL 64 6.568 28.250 -0.833 553 HG21 VAL 64 HG21 VAL 64 4.428 26.962 -3.743 554 HG22 VAL 64 HG22 VAL 64 3.354 27.949 -2.750 555 HG23 VAL 64 HG23 VAL 64 3.247 26.190 -2.679 556 H LEU 65 H LEU 65 8.270 25.146 -1.550 557 HA LEU 65 HA LEU 65 8.477 24.848 1.344 558 HB2 LEU 65 HB2 LEU 65 10.653 24.598 -0.777 559 HB3 LEU 65 HB3 LEU 65 10.782 24.116 0.910 560 HG LEU 65 HG LEU 65 9.051 22.810 -1.235 561 HD11 LEU 65 HD11 LEU 65 10.466 20.841 -0.909 562 HD12 LEU 65 HD12 LEU 65 11.446 21.713 0.275 563 HD13 LEU 65 HD13 LEU 65 11.422 22.235 -1.411 564 HD21 LEU 65 HD21 LEU 65 9.229 22.097 1.710 565 HD22 LEU 65 HD22 LEU 65 8.398 21.155 0.465 566 HD23 LEU 65 HD23 LEU 65 7.831 22.770 0.868 567 H SER 66 H SER 66 8.818 26.548 2.562 568 HA SER 66 HA SER 66 10.824 28.570 1.914 569 HB2 SER 66 HB2 SER 66 8.724 29.585 1.093 570 HB3 SER 66 HB3 SER 66 7.951 29.296 2.652 571 HG SER 66 HG SER 66 8.726 31.157 3.181 572 H GLU 67 H GLU 67 12.035 28.868 3.668 573 HA GLU 67 HA GLU 67 11.568 27.653 6.183 574 HB2 GLU 67 HB2 GLU 67 13.543 29.681 5.162 575 HB3 GLU 67 HB3 GLU 67 13.567 29.162 6.833 576 HG2 GLU 67 HG2 GLU 67 14.058 26.887 6.189 577 HG3 GLU 67 HG3 GLU 67 13.864 27.293 4.487 578 H ASN 68 H ASN 68 10.634 30.737 4.891 579 HA ASN 68 HA ASN 68 9.815 31.734 7.547 580 HB2 ASN 68 HB2 ASN 68 9.597 33.163 4.866 581 HB3 ASN 68 HB3 ASN 68 9.417 33.871 6.463 582 HD21 ASN 68 HD21 ASN 68 11.260 34.556 4.253 583 HD22 ASN 68 HD22 ASN 68 12.845 34.479 4.931 584 HA PRO 69 HA PRO 69 5.786 29.921 6.414 585 HB2 PRO 69 HB2 PRO 69 4.439 30.636 8.718 586 HB3 PRO 69 HB3 PRO 69 5.507 29.234 8.599 587 HG2 PRO 69 HG2 PRO 69 6.098 31.977 9.697 588 HG3 PRO 69 HG3 PRO 69 6.533 30.389 10.363 589 HD2 PRO 69 HD2 PRO 69 8.319 31.894 8.992 590 HD3 PRO 69 HD3 PRO 69 8.327 30.114 8.891 591 H MET 70 H MET 70 6.563 33.258 6.986 592 HA MET 70 HA MET 70 3.883 34.324 6.787 593 HB2 MET 70 HB2 MET 70 6.599 35.687 6.756 594 HB3 MET 70 HB3 MET 70 5.080 36.569 6.616 595 HG2 MET 70 HG2 MET 70 5.784 36.700 8.896 596 HG3 MET 70 HG3 MET 70 4.398 35.615 8.835 597 HE1 MET 70 HE1 MET 70 8.295 35.905 9.317 598 HE2 MET 70 HE2 MET 70 8.201 34.861 7.893 599 HE3 MET 70 HE3 MET 70 8.769 34.208 9.427 600 H GLN 71 H GLN 71 6.420 33.515 4.563 601 HA GLN 71 HA GLN 71 5.609 35.079 2.348 602 HB2 GLN 71 HB2 GLN 71 7.216 32.500 2.502 603 HB3 GLN 71 HB3 GLN 71 6.943 33.369 0.991 604 HG2 GLN 71 HG2 GLN 71 8.045 35.376 1.971 605 HG3 GLN 71 HG3 GLN 71 8.353 34.459 3.444 606 HE21 GLN 71 HE21 GLN 71 9.147 34.749 0.028 607 HE22 GLN 71 HE22 GLN 71 10.662 33.933 0.122 608 H PHE 72 H PHE 72 4.293 32.169 3.697 609 HA PHE 72 HA PHE 72 2.710 31.399 1.403 610 HB2 PHE 72 HB2 PHE 72 2.283 30.638 4.320 611 HB3 PHE 72 HB3 PHE 72 1.662 29.792 2.903 612 HD1 PHE 72 HD1 PHE 72 4.160 29.762 1.196 613 HD2 PHE 72 HD2 PHE 72 3.566 28.979 5.356 614 HE1 PHE 72 HE1 PHE 72 6.105 28.267 1.206 615 HE2 PHE 72 HE2 PHE 72 5.501 27.490 5.341 616 HZ PHE 72 HZ PHE 72 6.781 27.127 3.277 617 H PHE 73 H PHE 73 2.311 33.523 4.177 618 HA PHE 73 HA PHE 73 -0.568 33.750 3.875 619 HB2 PHE 73 HB2 PHE 73 1.368 35.204 5.721 620 HB3 PHE 73 HB3 PHE 73 -0.386 35.398 5.761 621 HD1 PHE 73 HD1 PHE 73 -1.827 33.303 6.231 622 HD2 PHE 73 HD2 PHE 73 2.383 33.401 6.912 623 HE1 PHE 73 HE1 PHE 73 -1.999 31.343 7.690 624 HE2 PHE 73 HE2 PHE 73 2.185 31.429 8.363 625 HZ PHE 73 HZ PHE 73 -0.007 30.400 8.754 626 H GLU 74 H GLU 74 2.212 35.404 2.581 627 HA GLU 74 HA GLU 74 0.560 37.647 1.632 628 HB2 GLU 74 HB2 GLU 74 2.581 38.533 0.598 629 HB3 GLU 74 HB3 GLU 74 2.919 38.088 2.265 630 HG2 GLU 74 HG2 GLU 74 4.056 36.062 1.538 631 HG3 GLU 74 HG3 GLU 74 3.640 36.389 -0.142 632 H THR 75 H THR 75 1.910 34.600 0.403 633 HA THR 75 HA THR 75 1.180 35.076 -2.346 634 HB THR 75 HB THR 75 1.955 32.497 -0.922 635 HG1 THR 75 HG1 THR 75 3.694 33.886 -1.043 636 HG21 THR 75 HG21 THR 75 1.701 32.987 -3.916 637 HG22 THR 75 HG22 THR 75 0.648 31.945 -2.953 638 HG23 THR 75 HG23 THR 75 2.351 31.531 -3.162 639 H PHE 76 H PHE 76 -0.309 33.389 0.392 640 HA PHE 76 HA PHE 76 -2.740 32.811 -1.210 641 HB2 PHE 76 HB2 PHE 76 -1.793 31.217 1.209 642 HB3 PHE 76 HB3 PHE 76 -3.104 30.809 0.124 643 HD1 PHE 76 HD1 PHE 76 -2.472 30.318 -2.360 644 HD2 PHE 76 HD2 PHE 76 0.352 30.271 0.849 645 HE1 PHE 76 HE1 PHE 76 -0.958 28.925 -3.709 646 HE2 PHE 76 HE2 PHE 76 1.862 28.873 -0.504 647 HZ PHE 76 HZ PHE 76 1.208 28.201 -2.784 648 H GLY 77 H GLY 77 -1.837 32.898 2.265 649 HA2 GLY 77 HA2 GLY 77 -2.468 34.353 3.949 650 HA3 GLY 77 HA3 GLY 77 -3.499 35.231 2.826 651 H ASP 78 H ASP 78 -5.660 34.642 2.635 652 HA ASP 78 HA ASP 78 -6.821 33.367 4.928 653 HB2 ASP 78 HB2 ASP 78 -7.914 35.302 3.819 654 HB3 ASP 78 HB3 ASP 78 -8.156 34.339 2.363 655 H ARG 79 H ARG 79 -5.946 32.285 1.729 656 HA ARG 79 HA ARG 79 -7.462 29.923 1.500 657 HB2 ARG 79 HB2 ARG 79 -4.690 30.646 0.480 658 HB3 ARG 79 HB3 ARG 79 -5.423 29.085 0.127 659 HG2 ARG 79 HG2 ARG 79 -6.530 31.794 -0.665 660 HG3 ARG 79 HG3 ARG 79 -5.725 30.636 -1.733 661 HD2 ARG 79 HD2 ARG 79 -7.510 28.983 -1.265 662 HD3 ARG 79 HD3 ARG 79 -8.336 30.167 -0.248 663 HE ARG 79 HE ARG 79 -8.019 31.352 -2.734 664 HH11 ARG 79 HH11 ARG 79 -9.690 28.539 -1.428 665 HH12 ARG 79 HH12 ARG 79 -10.923 28.556 -2.649 666 HH21 ARG 79 HH21 ARG 79 -9.653 31.363 -4.321 667 HH22 ARG 79 HH22 ARG 79 -10.896 30.154 -4.292 668 H VAL 80 H VAL 80 -4.495 30.597 3.264 669 HA VAL 80 HA VAL 80 -3.820 27.953 4.010 670 HB VAL 80 HB VAL 80 -3.224 30.530 5.537 671 HG11 VAL 80 HG11 VAL 80 -1.237 29.379 6.384 672 HG12 VAL 80 HG12 VAL 80 -1.700 27.904 5.524 673 HG13 VAL 80 HG13 VAL 80 -2.707 28.510 6.842 674 HG21 VAL 80 HG21 VAL 80 -1.611 29.278 3.277 675 HG22 VAL 80 HG22 VAL 80 -1.112 30.670 4.244 676 HG23 VAL 80 HG23 VAL 80 -2.524 30.787 3.190 677 H PHE 81 H PHE 81 -4.299 26.767 5.956 678 HA PHE 81 HA PHE 81 -6.975 26.881 6.765 679 HB2 PHE 81 HB2 PHE 81 -6.539 25.021 8.233 680 HB3 PHE 81 HB3 PHE 81 -5.601 24.808 6.766 681 HD1 PHE 81 HD1 PHE 81 -3.145 24.882 6.816 682 HD2 PHE 81 HD2 PHE 81 -5.412 25.389 10.399 683 HE1 PHE 81 HE1 PHE 81 -1.133 24.463 8.164 684 HE2 PHE 81 HE2 PHE 81 -3.394 24.970 11.736 685 HZ PHE 81 HZ PHE 81 -1.251 24.509 10.618 686 H LEU 82 H LEU 82 -4.293 28.515 8.090 687 HA LEU 82 HA LEU 82 -6.064 29.824 10.054 688 HB2 LEU 82 HB2 LEU 82 -4.445 29.785 11.769 689 HB3 LEU 82 HB3 LEU 82 -4.440 28.156 11.148 690 HG LEU 82 HG LEU 82 -2.301 30.270 10.610 691 HD11 LEU 82 HD11 LEU 82 -2.246 29.466 12.918 692 HD12 LEU 82 HD12 LEU 82 -0.838 28.905 12.021 693 HD13 LEU 82 HD13 LEU 82 -2.169 27.791 12.358 694 HD21 LEU 82 HD21 LEU 82 -0.981 28.495 9.573 695 HD22 LEU 82 HD22 LEU 82 -2.487 28.752 8.698 696 HD23 LEU 82 HD23 LEU 82 -2.317 27.356 9.764 697 H THR 83 H THR 83 -5.221 32.114 10.550 698 HA THR 83 HA THR 83 -3.847 33.193 8.157 699 HB THR 83 HB THR 83 -6.050 34.262 8.846 700 HG1 THR 83 HG1 THR 83 -5.007 36.465 8.705 701 HG21 THR 83 HG21 THR 83 -6.036 35.914 10.656 702 HG22 THR 83 HG22 THR 83 -4.388 35.458 11.090 703 HG23 THR 83 HG23 THR 83 -5.705 34.308 11.307 704 H LYS 84 H LYS 84 -2.469 35.272 8.844 705 HA LYS 84 HA LYS 84 -0.126 34.223 9.992 706 HB2 LYS 84 HB2 LYS 84 -0.270 36.081 8.296 707 HB3 LYS 84 HB3 LYS 84 -0.829 37.150 9.575 708 HG2 LYS 84 HG2 LYS 84 1.329 36.847 10.756 709 HG3 LYS 84 HG3 LYS 84 1.888 35.790 9.459 710 HD2 LYS 84 HD2 LYS 84 1.141 38.734 9.160 711 HD3 LYS 84 HD3 LYS 84 2.789 38.100 9.231 712 HE2 LYS 84 HE2 LYS 84 2.438 36.886 7.131 713 HE3 LYS 84 HE3 LYS 84 0.750 37.400 7.085 714 HZ1 LYS 84 HZ1 LYS 84 1.493 39.687 6.873 715 HZ2 LYS 84 HZ2 LYS 84 2.116 38.730 5.626 716 HZ3 LYS 84 HZ3 LYS 84 3.109 39.190 6.914 717 H ASP 85 H ASP 85 -2.758 36.089 11.367 718 HA ASP 85 HA ASP 85 -1.650 36.752 13.892 719 HB2 ASP 85 HB2 ASP 85 -4.549 36.345 13.040 720 HB3 ASP 85 HB3 ASP 85 -4.075 36.956 14.623 721 H GLU 86 H GLU 86 -3.675 33.957 12.864 722 HA GLU 86 HA GLU 86 -3.566 32.587 15.330 723 HB2 GLU 86 HB2 GLU 86 -4.076 31.607 12.517 724 HB3 GLU 86 HB3 GLU 86 -3.917 30.463 13.836 725 HG2 GLU 86 HG2 GLU 86 -6.205 30.744 13.643 726 HG3 GLU 86 HG3 GLU 86 -5.776 31.752 15.014 727 H LEU 87 H LEU 87 -1.334 32.647 12.597 728 HA LEU 87 HA LEU 87 0.371 30.506 13.278 729 HB2 LEU 87 HB2 LEU 87 0.532 31.535 11.080 730 HB3 LEU 87 HB3 LEU 87 0.876 33.105 11.783 731 HG LEU 87 HG LEU 87 3.047 32.067 12.700 732 HD11 LEU 87 HD11 LEU 87 3.971 30.136 11.553 733 HD12 LEU 87 HD12 LEU 87 2.446 29.891 10.695 734 HD13 LEU 87 HD13 LEU 87 2.513 29.726 12.456 735 HD21 LEU 87 HD21 LEU 87 3.040 33.682 10.852 736 HD22 LEU 87 HD22 LEU 87 2.862 32.362 9.697 737 HD23 LEU 87 HD23 LEU 87 4.316 32.477 10.681 738 H LYS 88 H LYS 88 0.661 34.008 14.013 739 HA LYS 88 HA LYS 88 3.148 33.753 15.344 740 HB2 LYS 88 HB2 LYS 88 2.737 36.141 16.126 741 HB3 LYS 88 HB3 LYS 88 2.734 35.871 14.396 742 HG2 LYS 88 HG2 LYS 88 0.935 37.277 14.556 743 HG3 LYS 88 HG3 LYS 88 0.123 35.738 14.712 744 HD2 LYS 88 HD2 LYS 88 -0.842 37.189 16.333 745 HD3 LYS 88 HD3 LYS 88 0.170 36.050 17.226 746 HE2 LYS 88 HE2 LYS 88 1.913 37.709 17.462 747 HE3 LYS 88 HE3 LYS 88 1.056 38.823 16.399 748 HZ1 LYS 88 HZ1 LYS 88 0.047 37.881 19.025 749 HZ2 LYS 88 HZ2 LYS 88 -0.697 39.009 18.009 750 HZ3 LYS 88 HZ3 LYS 88 0.777 39.379 18.746 751 H GLU 89 H GLU 89 -0.194 33.907 16.612 752 HA GLU 89 HA GLU 89 0.582 33.823 19.375 753 HB2 GLU 89 HB2 GLU 89 -1.765 33.424 19.889 754 HB3 GLU 89 HB3 GLU 89 -1.642 34.683 18.663 755 HG2 GLU 89 HG2 GLU 89 -2.243 33.023 16.928 756 HG3 GLU 89 HG3 GLU 89 -2.378 31.781 18.167 757 H TYR 90 H TYR 90 -0.028 31.380 16.912 758 HA TYR 90 HA TYR 90 -0.222 29.071 18.554 759 HB2 TYR 90 HB2 TYR 90 -0.944 29.020 16.224 760 HB3 TYR 90 HB3 TYR 90 0.667 29.425 15.657 761 HD1 TYR 90 HD1 TYR 90 -1.157 26.735 17.565 762 HD2 TYR 90 HD2 TYR 90 2.050 27.686 14.903 763 HE1 TYR 90 HE1 TYR 90 -0.682 24.339 17.285 764 HE2 TYR 90 HE2 TYR 90 2.535 25.283 14.627 765 HH TYR 90 HH TYR 90 0.397 22.834 15.703 766 H MET 91 H MET 91 2.527 30.682 16.991 767 HA MET 91 HA MET 91 4.507 28.783 17.869 768 HB2 MET 91 HB2 MET 91 4.821 31.576 16.687 769 HB3 MET 91 HB3 MET 91 6.139 30.438 16.935 770 HG2 MET 91 HG2 MET 91 5.057 28.865 15.353 771 HG3 MET 91 HG3 MET 91 3.776 30.044 15.078 772 HE1 MET 91 HE1 MET 91 5.849 32.967 13.359 773 HE2 MET 91 HE2 MET 91 5.644 32.798 15.100 774 HE3 MET 91 HE3 MET 91 4.279 32.504 14.019 775 H LYS 92 H LYS 92 3.269 31.872 19.070 776 HA LYS 92 HA LYS 92 5.099 32.178 21.252 777 HB2 LYS 92 HB2 LYS 92 2.281 33.271 20.853 778 HB3 LYS 92 HB3 LYS 92 3.311 33.716 22.209 779 HG2 LYS 92 HG2 LYS 92 3.900 34.265 19.278 780 HG3 LYS 92 HG3 LYS 92 3.285 35.439 20.443 781 HD2 LYS 92 HD2 LYS 92 5.996 34.046 20.563 782 HD3 LYS 92 HD3 LYS 92 5.710 35.709 20.041 783 HE2 LYS 92 HE2 LYS 92 4.832 36.230 22.323 784 HE3 LYS 92 HE3 LYS 92 5.229 34.580 22.820 785 HZ1 LYS 92 HZ1 LYS 92 6.926 36.172 23.455 786 HZ2 LYS 92 HZ2 LYS 92 7.178 36.587 21.837 787 HZ3 LYS 92 HZ3 LYS 92 7.538 35.026 22.374 788 H SER 93 H SER 93 2.153 30.348 20.778 789 HA SER 93 HA SER 93 1.835 29.525 23.507 790 HB2 SER 93 HB2 SER 93 0.722 28.426 20.896 791 HB3 SER 93 HB3 SER 93 0.296 27.778 22.480 792 HG SER 93 HG SER 93 -0.006 30.511 21.821 793 H GLN 94 H GLN 94 3.464 28.175 20.621 794 HA GLN 94 HA GLN 94 4.126 25.647 21.674 795 HB2 GLN 94 HB2 GLN 94 5.498 27.294 19.510 796 HB3 GLN 94 HB3 GLN 94 5.972 25.643 19.907 797 HG2 GLN 94 HG2 GLN 94 3.256 26.516 18.883 798 HG3 GLN 94 HG3 GLN 94 4.511 25.719 17.941 799 HE21 GLN 94 HE21 GLN 94 1.708 24.947 18.655 800 HE22 GLN 94 HE22 GLN 94 1.838 23.358 19.315 801 H GLU 95 H GLU 95 5.955 28.717 21.713 802 HA GLU 95 HA GLU 95 8.338 27.644 22.845 803 HB2 GLU 95 HB2 GLU 95 9.025 29.992 23.136 804 HB3 GLU 95 HB3 GLU 95 8.332 29.724 21.541 805 HG2 GLU 95 HG2 GLU 95 6.216 30.747 22.280 806 HG3 GLU 95 HG3 GLU 95 6.895 31.005 23.889 807 H ARG 96 H ARG 96 5.320 28.638 24.289 808 HA ARG 96 HA ARG 96 6.532 29.020 26.952 809 HB2 ARG 96 HB2 ARG 96 4.575 30.184 27.608 810 HB3 ARG 96 HB3 ARG 96 4.866 30.704 25.954 811 HG2 ARG 96 HG2 ARG 96 3.128 29.041 25.211 812 HG3 ARG 96 HG3 ARG 96 2.765 28.731 26.911 813 HD2 ARG 96 HD2 ARG 96 2.448 31.350 25.406 814 HD3 ARG 96 HD3 ARG 96 1.159 30.308 26.012 815 HE ARG 96 HE ARG 96 2.551 30.954 28.258 816 HH11 ARG 96 HH11 ARG 96 1.024 32.868 25.731 817 HH12 ARG 96 HH12 ARG 96 0.764 34.237 26.759 818 HH21 ARG 96 HH21 ARG 96 2.215 32.771 29.592 819 HH22 ARG 96 HH22 ARG 96 1.434 34.177 28.953 820 H TRP 97 H TRP 97 4.419 26.799 25.196 821 HA TRP 97 HA TRP 97 3.677 25.335 27.621 822 HB2 TRP 97 HB2 TRP 97 2.929 24.785 24.716 823 HB3 TRP 97 HB3 TRP 97 2.330 23.880 26.099 824 HD1 TRP 97 HD1 TRP 97 0.839 26.017 23.832 825 HE1 TRP 97 HE1 TRP 97 -0.921 27.607 24.811 826 HE3 TRP 97 HE3 TRP 97 2.109 25.732 28.807 827 HZ2 TRP 97 HZ2 TRP 97 -1.689 28.605 27.308 828 HZ3 TRP 97 HZ3 TRP 97 0.783 27.038 30.419 829 HH2 TRP 97 HH2 TRP 97 -1.077 28.444 29.685 830 H GLY 98 H GLY 98 5.982 25.135 25.025 831 HA2 GLY 98 HA2 GLY 98 7.323 22.864 26.278 832 HA3 GLY 98 HA3 GLY 98 6.709 22.572 24.650 833 H ARG 99 H ARG 99 8.802 22.328 23.795 834 HA ARG 99 HA ARG 99 10.597 22.936 22.580 835 HB2 ARG 99 HB2 ARG 99 9.691 25.831 22.913 836 HB3 ARG 99 HB3 ARG 99 10.814 25.221 21.703 837 HG2 ARG 99 HG2 ARG 99 7.914 24.324 21.843 838 HG3 ARG 99 HG3 ARG 99 8.424 25.748 20.943 839 HD2 ARG 99 HD2 ARG 99 8.147 23.798 19.476 840 HD3 ARG 99 HD3 ARG 99 9.815 24.359 19.483 841 HE ARG 99 HE ARG 99 10.461 22.450 20.704 842 HH11 ARG 99 HH11 ARG 99 7.042 22.297 19.802 843 HH12 ARG 99 HH12 ARG 99 6.944 20.582 20.033 844 HH21 ARG 99 HH21 ARG 99 10.281 20.197 21.014 845 HH22 ARG 99 HH22 ARG 99 8.768 19.400 20.718 846 H ARG 100 H ARG 100 12.367 22.384 23.758 847 HA ARG 100 HA ARG 100 13.180 23.701 26.199 848 HB2 ARG 100 HB2 ARG 100 14.544 21.585 24.470 849 HB3 ARG 100 HB3 ARG 100 15.219 22.171 25.989 850 HG2 ARG 100 HG2 ARG 100 12.538 20.773 25.696 851 HG3 ARG 100 HG3 ARG 100 14.039 19.998 26.210 852 HD2 ARG 100 HD2 ARG 100 14.121 21.605 28.147 853 HD3 ARG 100 HD3 ARG 100 12.529 22.202 27.659 854 HE ARG 100 HE ARG 100 12.358 19.420 27.957 855 HH11 ARG 100 HH11 ARG 100 12.848 22.253 29.989 856 HH12 ARG 100 HH12 ARG 100 12.221 21.482 31.406 857 HH21 ARG 100 HH21 ARG 100 11.528 18.435 29.828 858 HH22 ARG 100 HH22 ARG 100 11.487 19.314 31.321 859 H ARG 101 H ARG 101 14.983 23.176 23.174 860 HA ARG 101 HA ARG 101 15.921 25.915 22.993 861 HB2 ARG 101 HB2 ARG 101 17.475 24.830 24.670 862 HB3 ARG 101 HB3 ARG 101 17.930 23.654 23.441 863 HG2 ARG 101 HG2 ARG 101 18.798 25.534 22.034 864 HG3 ARG 101 HG3 ARG 101 18.426 26.653 23.353 865 HD2 ARG 101 HD2 ARG 101 20.412 24.346 23.422 866 HD3 ARG 101 HD3 ARG 101 20.787 26.072 23.424 867 HE ARG 101 HE ARG 101 19.172 25.662 25.627 868 HH11 ARG 101 HH11 ARG 101 22.325 24.485 24.588 869 HH12 ARG 101 HH12 ARG 101 22.889 24.236 26.206 870 HH21 ARG 101 HH21 ARG 101 19.925 25.329 27.726 871 HH22 ARG 101 HH22 ARG 101 21.530 24.727 27.993 872 H GLU 102 H GLU 102 15.381 26.159 20.919 873 HA GLU 102 HA GLU 102 15.168 23.931 19.110 874 HB2 GLU 102 HB2 GLU 102 14.515 26.884 18.748 875 HB3 GLU 102 HB3 GLU 102 14.097 25.603 17.609 876 HG2 GLU 102 HG2 GLU 102 13.062 25.929 20.444 877 HG3 GLU 102 HG3 GLU 102 12.151 26.166 18.952 878 H SER 103 H SER 103 15.629 25.109 16.648 879 HA SER 103 HA SER 103 18.251 24.253 16.207 880 HB2 SER 103 HB2 SER 103 16.422 24.090 14.540 881 HB3 SER 103 HB3 SER 103 16.429 25.843 14.354 882 HG SER 103 HG SER 103 18.920 24.857 13.984 883 H LYS 104 H LYS 104 17.331 27.331 17.359 884 HA LYS 104 HA LYS 104 18.235 29.396 17.513 885 HB2 LYS 104 HB2 LYS 104 20.198 28.079 18.374 886 HB3 LYS 104 HB3 LYS 104 20.865 28.042 16.752 887 HG2 LYS 104 HG2 LYS 104 21.981 29.720 18.151 888 HG3 LYS 104 HG3 LYS 104 21.159 30.475 16.781 889 HD2 LYS 104 HD2 LYS 104 19.245 31.031 18.325 890 HD3 LYS 104 HD3 LYS 104 20.196 30.390 19.668 891 HE2 LYS 104 HE2 LYS 104 21.915 32.111 19.276 892 HE3 LYS 104 HE3 LYS 104 20.996 32.727 17.899 893 HZ1 LYS 104 HZ1 LYS 104 20.658 34.046 19.892 894 HZ2 LYS 104 HZ2 LYS 104 20.063 32.698 20.718 895 HZ3 LYS 104 HZ3 LYS 104 19.208 33.324 19.401 896 H LYS 105 H LYS 105 17.071 28.422 15.114 897 HA LYS 105 HA LYS 105 17.703 30.414 13.171 898 HB2 LYS 105 HB2 LYS 105 19.480 28.524 12.847 899 HB3 LYS 105 HB3 LYS 105 18.148 27.522 12.298 900 HG2 LYS 105 HG2 LYS 105 18.977 28.283 10.282 901 HG3 LYS 105 HG3 LYS 105 17.731 29.487 10.582 902 HD2 LYS 105 HD2 LYS 105 20.669 29.867 11.279 903 HD3 LYS 105 HD3 LYS 105 19.960 30.398 9.756 904 HE2 LYS 105 HE2 LYS 105 18.475 31.935 11.015 905 HE3 LYS 105 HE3 LYS 105 19.212 31.394 12.525 906 HZ1 LYS 105 HZ1 LYS 105 21.346 32.215 11.703 907 HZ2 LYS 105 HZ2 LYS 105 20.192 33.449 11.814 908 HZ3 LYS 105 HZ3 LYS 105 20.589 32.793 10.305 909 H LYS 106 H LYS 106 16.149 30.231 11.312 910 HA LYS 106 HA LYS 106 13.536 29.417 12.153 911 HB2 LYS 106 HB2 LYS 106 12.711 30.354 10.109 912 HB3 LYS 106 HB3 LYS 106 14.019 31.407 10.624 913 HG2 LYS 106 HG2 LYS 106 14.399 29.232 8.551 914 HG3 LYS 106 HG3 LYS 106 13.837 30.839 8.119 915 HD2 LYS 106 HD2 LYS 106 16.475 30.286 9.536 916 HD3 LYS 106 HD3 LYS 106 16.308 30.415 7.781 917 HE2 LYS 106 HE2 LYS 106 15.670 32.600 9.795 918 HE3 LYS 106 HE3 LYS 106 17.096 32.528 8.758 919 HZ1 LYS 106 HZ1 LYS 106 14.280 32.730 7.785 920 HZ2 LYS 106 HZ2 LYS 106 15.668 32.711 6.815 921 HZ3 LYS 106 HZ3 LYS 106 15.388 34.007 7.865 922 H LYS 107 H LYS 107 12.244 27.751 11.306 923 HA LYS 107 HA LYS 107 13.694 25.426 10.240 924 HB2 LYS 107 HB2 LYS 107 12.258 25.145 12.262 925 HB3 LYS 107 HB3 LYS 107 10.864 25.663 11.338 926 HG2 LYS 107 HG2 LYS 107 10.630 23.329 11.460 927 HG3 LYS 107 HG3 LYS 107 11.273 23.598 9.843 928 HD2 LYS 107 HD2 LYS 107 12.998 22.798 12.228 929 HD3 LYS 107 HD3 LYS 107 12.264 21.626 11.137 930 HE2 LYS 107 HE2 LYS 107 13.550 22.631 9.254 931 HE3 LYS 107 HE3 LYS 107 14.317 23.738 10.391 932 HZ1 LYS 107 HZ1 LYS 107 15.240 21.811 11.544 933 HZ2 LYS 107 HZ2 LYS 107 15.736 21.883 9.930 934 HZ3 LYS 107 HZ3 LYS 107 14.540 20.781 10.396 935 H LEU 108 H LEU 108 13.035 24.357 8.336 936 HA LEU 108 HA LEU 108 11.843 25.887 6.244 937 HB2 LEU 108 HB2 LEU 108 13.577 24.031 5.957 938 HB3 LEU 108 HB3 LEU 108 12.311 22.876 6.284 939 HG LEU 108 HG LEU 108 12.942 23.121 3.850 940 HD11 LEU 108 HD11 LEU 108 10.712 23.053 2.925 941 HD12 LEU 108 HD12 LEU 108 10.046 23.763 4.397 942 HD13 LEU 108 HD13 LEU 108 10.781 22.159 4.444 943 HD21 LEU 108 HD21 LEU 108 13.346 25.519 3.776 944 HD22 LEU 108 HD22 LEU 108 11.630 25.841 4.049 945 HD23 LEU 108 HD23 LEU 108 12.156 25.044 2.563 946 H TRP 109 H TRP 109 9.718 26.256 6.004 947 HA TRP 109 HA TRP 109 7.723 24.303 6.980 948 HB2 TRP 109 HB2 TRP 109 7.461 27.247 6.241 949 HB3 TRP 109 HB3 TRP 109 6.081 26.216 6.582 950 HD1 TRP 109 HD1 TRP 109 9.341 27.224 8.464 951 HE1 TRP 109 HE1 TRP 109 8.737 27.656 10.916 952 HE3 TRP 109 HE3 TRP 109 4.347 26.142 8.265 953 HZ2 TRP 109 HZ2 TRP 109 6.460 27.570 12.561 954 HZ3 TRP 109 HZ3 TRP 109 3.017 26.359 10.331 955 HH2 TRP 109 HH2 TRP 109 4.055 27.063 12.439 956 H MET 110 H MET 110 5.943 23.839 5.562 957 HA MET 110 HA MET 110 6.437 24.109 2.676 958 HB2 MET 110 HB2 MET 110 5.564 21.644 2.525 959 HB3 MET 110 HB3 MET 110 7.228 21.900 3.021 960 HG2 MET 110 HG2 MET 110 6.612 21.555 5.362 961 HG3 MET 110 HG3 MET 110 4.924 21.346 4.906 962 HE1 MET 110 HE1 MET 110 3.903 19.162 4.073 963 HE2 MET 110 HE2 MET 110 4.815 17.865 3.290 964 HE3 MET 110 HE3 MET 110 4.727 19.456 2.534 965 H ALA 111 H ALA 111 4.696 24.734 1.606 966 HA ALA 111 HA ALA 111 2.084 24.853 2.984 967 HB1 ALA 111 HB1 ALA 111 1.565 26.681 1.395 968 HB2 ALA 111 HB2 ALA 111 3.175 26.522 0.686 969 HB3 ALA 111 HB3 ALA 111 2.990 27.033 2.364 970 H ILE 112 H ILE 112 1.063 23.051 2.432 971 HA ILE 112 HA ILE 112 1.270 21.808 -0.183 972 HB ILE 112 HB ILE 112 -0.597 21.097 2.128 973 HG12 ILE 112 HG12 ILE 112 2.171 19.888 1.646 974 HG13 ILE 112 HG13 ILE 112 1.835 21.128 2.853 975 HG21 ILE 112 HG21 ILE 112 -1.220 20.080 -0.009 976 HG22 ILE 112 HG22 ILE 112 -0.645 18.851 1.116 977 HG23 ILE 112 HG23 ILE 112 0.405 19.409 -0.190 978 HD11 ILE 112 HD11 ILE 112 1.931 18.909 3.849 979 HD12 ILE 112 HD12 ILE 112 0.621 18.356 2.806 980 HD13 ILE 112 HD13 ILE 112 0.322 19.606 4.019 981 H GLU 113 H GLU 113 -0.053 22.431 -1.868 982 HA GLU 113 HA GLU 113 -2.281 24.236 -1.363 983 HB2 GLU 113 HB2 GLU 113 -0.893 24.683 -3.326 984 HB3 GLU 113 HB3 GLU 113 -1.196 23.070 -3.965 985 HG2 GLU 113 HG2 GLU 113 -3.576 23.626 -4.275 986 HG3 GLU 113 HG3 GLU 113 -3.300 25.231 -3.605 987 H LEU 114 H LEU 114 -3.961 23.195 -0.390 988 HA LEU 114 HA LEU 114 -4.974 20.648 -1.400 989 HB2 LEU 114 HB2 LEU 114 -5.696 22.416 0.960 990 HB3 LEU 114 HB3 LEU 114 -6.824 21.184 0.421 991 HG LEU 114 HG LEU 114 -5.550 20.277 2.246 992 HD11 LEU 114 HD11 LEU 114 -4.599 19.116 -0.384 993 HD12 LEU 114 HD12 LEU 114 -6.089 18.729 0.475 994 HD13 LEU 114 HD13 LEU 114 -4.541 18.315 1.184 995 HD21 LEU 114 HD21 LEU 114 -3.578 21.719 2.170 996 HD22 LEU 114 HD22 LEU 114 -3.032 20.921 0.691 997 HD23 LEU 114 HD23 LEU 114 -3.115 20.014 2.204 998 H GLU 115 H GLU 115 -6.363 20.570 -3.027 999 HA GLU 115 HA GLU 115 -8.414 22.651 -3.382 1000 HB2 GLU 115 HB2 GLU 115 -7.898 22.971 -5.700 1001 HB3 GLU 115 HB3 GLU 115 -6.361 23.093 -4.852 1002 HG2 GLU 115 HG2 GLU 115 -5.676 21.805 -6.578 1003 HG3 GLU 115 HG3 GLU 115 -6.186 20.515 -5.489 1004 H ASP 116 H ASP 116 -10.083 21.858 -5.007 1005 HA ASP 116 HA ASP 116 -11.751 20.414 -5.562 1006 HB2 ASP 116 HB2 ASP 116 -9.842 19.401 -6.883 1007 HB3 ASP 116 HB3 ASP 116 -9.549 18.305 -5.542 1008 H VAL 117 H VAL 117 -11.276 20.980 -2.800 1009 HA VAL 117 HA VAL 117 -11.095 18.729 -1.139 1010 HB VAL 117 HB VAL 117 -12.353 21.419 -0.438 1011 HG11 VAL 117 HG11 VAL 117 -12.974 19.711 1.189 1012 HG12 VAL 117 HG12 VAL 117 -11.783 20.792 1.915 1013 HG13 VAL 117 HG13 VAL 117 -11.294 19.196 1.345 1014 HG21 VAL 117 HG21 VAL 117 -10.034 21.709 -1.259 1015 HG22 VAL 117 HG22 VAL 117 -9.460 20.505 -0.105 1016 HG23 VAL 117 HG23 VAL 117 -10.129 22.031 0.476 1017 H LYS 118 H LYS 118 -12.483 17.172 -0.820 1018 HA LYS 118 HA LYS 118 -15.349 17.482 -1.416 1019 HB2 LYS 118 HB2 LYS 118 -14.090 15.735 -2.643 1020 HB3 LYS 118 HB3 LYS 118 -13.606 15.007 -1.128 1021 HG2 LYS 118 HG2 LYS 118 -15.304 13.590 -1.807 1022 HG3 LYS 118 HG3 LYS 118 -16.172 14.677 -0.728 1023 HD2 LYS 118 HD2 LYS 118 -16.126 14.895 -3.768 1024 HD3 LYS 118 HD3 LYS 118 -17.417 14.141 -2.838 1025 HE2 LYS 118 HE2 LYS 118 -17.900 16.317 -1.771 1026 HE3 LYS 118 HE3 LYS 118 -16.616 17.066 -2.720 1027 HZ1 LYS 118 HZ1 LYS 118 -19.105 15.841 -3.754 1028 HZ2 LYS 118 HZ2 LYS 118 -17.849 16.416 -4.727 1029 HZ3 LYS 118 HZ3 LYS 118 -18.706 17.485 -3.742 1030 H LYS 119 H LYS 119 -16.907 16.695 0.023 1031 HA LYS 119 HA LYS 119 -16.116 16.380 2.851 1032 HB2 LYS 119 HB2 LYS 119 -18.462 17.633 1.488 1033 HB3 LYS 119 HB3 LYS 119 -18.870 16.693 2.909 1034 HG2 LYS 119 HG2 LYS 119 -16.809 18.917 2.929 1035 HG3 LYS 119 HG3 LYS 119 -18.515 19.176 3.289 1036 HD2 LYS 119 HD2 LYS 119 -16.554 17.424 4.844 1037 HD3 LYS 119 HD3 LYS 119 -17.257 18.952 5.377 1038 HE2 LYS 119 HE2 LYS 119 -19.547 17.771 5.212 1039 HE3 LYS 119 HE3 LYS 119 -18.633 16.272 5.041 1040 HZ1 LYS 119 HZ1 LYS 119 -19.359 16.761 7.328 1041 HZ2 LYS 119 HZ2 LYS 119 -18.353 18.121 7.330 1042 HZ3 LYS 119 HZ3 LYS 119 -17.684 16.576 7.174 1043 H TYR 120 H TYR 120 -16.516 14.475 3.864 1044 HA TYR 120 HA TYR 120 -17.947 12.320 2.519 1045 HB2 TYR 120 HB2 TYR 120 -16.570 12.443 5.233 1046 HB3 TYR 120 HB3 TYR 120 -17.400 11.017 4.614 1047 HD1 TYR 120 HD1 TYR 120 -16.193 11.725 1.635 1048 HD2 TYR 120 HD2 TYR 120 -14.566 11.024 5.520 1049 HE1 TYR 120 HE1 TYR 120 -14.101 10.912 0.623 1050 HE2 TYR 120 HE2 TYR 120 -12.482 10.223 4.513 1051 HH TYR 120 HH TYR 120 -11.753 10.615 1.186 1052 H ASP 121 H ASP 121 -20.001 13.226 2.384 1053 HA ASP 121 HA ASP 121 -21.611 14.143 4.519 1054 HB2 ASP 121 HB2 ASP 121 -22.192 14.500 2.142 1055 HB3 ASP 121 HB3 ASP 121 -22.394 12.767 1.906 1056 H LYS 122 H LYS 122 -20.893 10.963 3.261 1057 HA LYS 122 HA LYS 122 -22.498 9.531 5.206 1058 HB2 LYS 122 HB2 LYS 122 -21.630 7.528 4.071 1059 HB3 LYS 122 HB3 LYS 122 -22.221 8.685 2.887 1060 HG2 LYS 122 HG2 LYS 122 -19.726 9.415 2.660 1061 HG3 LYS 122 HG3 LYS 122 -19.355 7.919 3.516 1062 HD2 LYS 122 HD2 LYS 122 -19.143 7.479 1.160 1063 HD3 LYS 122 HD3 LYS 122 -20.612 6.667 1.716 1064 HE2 LYS 122 HE2 LYS 122 -21.980 8.506 0.819 1065 HE3 LYS 122 HE3 LYS 122 -20.524 9.370 0.320 1066 HZ1 LYS 122 HZ1 LYS 122 -21.465 6.762 -0.735 1067 HZ2 LYS 122 HZ2 LYS 122 -20.031 7.535 -1.187 1068 HZ3 LYS 122 HZ3 LYS 122 -21.522 8.254 -1.535 1069 HA PRO 123 HA PRO 123 -19.050 9.524 8.162 1070 HB2 PRO 123 HB2 PRO 123 -20.015 7.804 10.021 1071 HB3 PRO 123 HB3 PRO 123 -20.748 9.394 9.762 1072 HG2 PRO 123 HG2 PRO 123 -21.658 6.700 8.767 1073 HG3 PRO 123 HG3 PRO 123 -22.628 8.029 9.434 1074 HD2 PRO 123 HD2 PRO 123 -22.331 7.535 6.711 1075 HD3 PRO 123 HD3 PRO 123 -22.748 9.122 7.397 1076 H ILE 124 H ILE 124 -17.503 8.606 6.693 1077 HA ILE 124 HA ILE 124 -17.219 5.778 6.303 1078 HB ILE 124 HB ILE 124 -15.196 8.016 5.822 1079 HG12 ILE 124 HG12 ILE 124 -17.218 6.654 3.992 1080 HG13 ILE 124 HG13 ILE 124 -17.141 8.358 4.425 1081 HG21 ILE 124 HG21 ILE 124 -13.955 6.429 4.399 1082 HG22 ILE 124 HG22 ILE 124 -15.081 5.139 4.825 1083 HG23 ILE 124 HG23 ILE 124 -14.040 5.843 6.064 1084 HD11 ILE 124 HD11 ILE 124 -16.426 8.041 2.162 1085 HD12 ILE 124 HD12 ILE 124 -15.223 6.849 2.647 1086 HD13 ILE 124 HD13 ILE 124 -15.037 8.540 3.126 1087 H LYS 125 H LYS 125 -16.186 4.303 7.536 1088 HA LYS 125 HA LYS 125 -15.188 5.053 10.139 1089 HB2 LYS 125 HB2 LYS 125 -15.341 2.794 10.756 1090 HB3 LYS 125 HB3 LYS 125 -16.623 2.945 9.567 1091 HG2 LYS 125 HG2 LYS 125 -13.870 1.779 9.048 1092 HG3 LYS 125 HG3 LYS 125 -15.324 0.837 9.383 1093 HD2 LYS 125 HD2 LYS 125 -16.327 1.472 7.296 1094 HD3 LYS 125 HD3 LYS 125 -15.114 2.725 7.008 1095 HE2 LYS 125 HE2 LYS 125 -13.380 0.963 6.819 1096 HE3 LYS 125 HE3 LYS 125 -14.630 -0.265 7.040 1097 HZ1 LYS 125 HZ1 LYS 125 -14.513 1.694 4.816 1098 HZ2 LYS 125 HZ2 LYS 125 -15.690 0.498 5.019 1099 HZ3 LYS 125 HZ3 LYS 125 -14.087 0.060 4.716 1100 HA PRO 126 HA PRO 126 -10.883 5.071 8.848 1101 HB2 PRO 126 HB2 PRO 126 -9.645 5.214 11.271 1102 HB3 PRO 126 HB3 PRO 126 -10.526 6.567 10.551 1103 HG2 PRO 126 HG2 PRO 126 -11.354 4.726 12.757 1104 HG3 PRO 126 HG3 PRO 126 -11.734 6.441 12.503 1105 HD2 PRO 126 HD2 PRO 126 -13.437 4.273 11.914 1106 HD3 PRO 126 HD3 PRO 126 -13.628 5.944 11.345 1107 H LYS 127 H LYS 127 -9.079 3.808 8.677 1108 HA LYS 127 HA LYS 127 -9.274 1.006 9.203 1109 HB2 LYS 127 HB2 LYS 127 -6.973 2.722 8.181 1110 HB3 LYS 127 HB3 LYS 127 -6.910 0.966 8.291 1111 HG2 LYS 127 HG2 LYS 127 -8.864 2.548 6.578 1112 HG3 LYS 127 HG3 LYS 127 -7.401 1.741 5.993 1113 HD2 LYS 127 HD2 LYS 127 -9.772 0.352 7.315 1114 HD3 LYS 127 HD3 LYS 127 -9.466 0.399 5.577 1115 HE2 LYS 127 HE2 LYS 127 -7.438 -0.916 5.847 1116 HE3 LYS 127 HE3 LYS 127 -7.551 -0.817 7.606 1117 HZ1 LYS 127 HZ1 LYS 127 -9.577 -2.112 7.516 1118 HZ2 LYS 127 HZ2 LYS 127 -8.307 -2.940 6.769 1119 HZ3 LYS 127 HZ3 LYS 127 -9.487 -2.185 5.827 1120 H ARG 128 H ARG 128 -7.979 3.734 10.867 1121 HA ARG 128 HA ARG 128 -7.387 2.370 13.288 1122 HB2 ARG 128 HB2 ARG 128 -4.945 2.687 13.351 1123 HB3 ARG 128 HB3 ARG 128 -5.377 1.675 11.974 1124 HG2 ARG 128 HG2 ARG 128 -5.190 3.684 10.487 1125 HG3 ARG 128 HG3 ARG 128 -4.646 4.625 11.880 1126 HD2 ARG 128 HD2 ARG 128 -2.734 3.911 10.547 1127 HD3 ARG 128 HD3 ARG 128 -2.702 3.115 12.119 1128 HE ARG 128 HE ARG 128 -3.339 1.077 11.101 1129 HH11 ARG 128 HH11 ARG 128 -2.668 3.595 8.729 1130 HH12 ARG 128 HH12 ARG 128 -2.530 2.486 7.409 1131 HH21 ARG 128 HH21 ARG 128 -3.193 -0.357 9.362 1132 HH22 ARG 128 HH22 ARG 128 -2.826 0.229 7.774 1133 H LEU 129 H LEU 129 -6.364 3.928 14.874 1134 HA LEU 129 HA LEU 129 -7.256 6.612 14.701 1135 HB2 LEU 129 HB2 LEU 129 -6.078 7.040 16.749 1136 HB3 LEU 129 HB3 LEU 129 -6.769 5.437 16.878 1137 HG LEU 129 HG LEU 129 -3.828 6.013 16.310 1138 HD11 LEU 129 HD11 LEU 129 -5.129 5.166 18.919 1139 HD12 LEU 129 HD12 LEU 129 -4.416 6.742 18.559 1140 HD13 LEU 129 HD13 LEU 129 -3.392 5.311 18.621 1141 HD21 LEU 129 HD21 LEU 129 -3.442 3.635 16.803 1142 HD22 LEU 129 HD22 LEU 129 -4.495 3.845 15.407 1143 HD23 LEU 129 HD23 LEU 129 -5.185 3.377 16.964 1144 H VAL 130 H VAL 130 -6.354 8.306 13.682 1145 HA VAL 130 HA VAL 130 -3.654 8.069 12.511 1146 HB VAL 130 HB VAL 130 -5.878 10.050 11.855 1147 HG11 VAL 130 HG11 VAL 130 -3.677 11.039 11.423 1148 HG12 VAL 130 HG12 VAL 130 -4.499 10.690 9.900 1149 HG13 VAL 130 HG13 VAL 130 -3.207 9.630 10.470 1150 HG21 VAL 130 HG21 VAL 130 -4.934 7.621 10.280 1151 HG22 VAL 130 HG22 VAL 130 -6.152 8.782 9.744 1152 HG23 VAL 130 HG23 VAL 130 -6.466 7.760 11.150 1153 HA PRO 131 HA PRO 131 -2.734 10.570 16.233 1154 HB2 PRO 131 HB2 PRO 131 -0.007 10.382 16.132 1155 HB3 PRO 131 HB3 PRO 131 -1.034 9.046 16.675 1156 HG2 PRO 131 HG2 PRO 131 0.178 9.518 13.944 1157 HG3 PRO 131 HG3 PRO 131 0.170 8.030 14.916 1158 HD2 PRO 131 HD2 PRO 131 -1.596 8.409 12.904 1159 HD3 PRO 131 HD3 PRO 131 -2.059 7.540 14.388 1160 H VAL 132 H VAL 132 -0.950 12.360 16.662 1161 HA VAL 132 HA VAL 132 -1.680 14.611 15.160 1162 HB VAL 132 HB VAL 132 0.031 15.824 16.518 1163 HG11 VAL 132 HG11 VAL 132 -1.693 13.890 18.116 1164 HG12 VAL 132 HG12 VAL 132 -2.209 15.450 17.468 1165 HG13 VAL 132 HG13 VAL 132 -0.985 15.385 18.740 1166 HG21 VAL 132 HG21 VAL 132 1.364 14.602 18.227 1167 HG22 VAL 132 HG22 VAL 132 1.803 14.103 16.591 1168 HG23 VAL 132 HG23 VAL 132 0.774 13.067 17.584 1169 H GLY 133 H GLY 133 1.065 12.440 14.790 1170 HA2 GLY 133 HA2 GLY 133 2.507 14.099 12.892 1171 HA3 GLY 133 HA3 GLY 133 2.845 12.424 13.303 1172 H GLY 134 H GLY 134 -0.148 11.935 12.717 1173 HA2 GLY 134 HA2 GLY 134 -1.590 11.544 10.978 1174 HA3 GLY 134 HA3 GLY 134 -0.506 12.381 9.884 1175 H GLN 135 H GLN 135 -1.707 10.178 8.930 1176 HA GLN 135 HA GLN 135 0.341 8.017 8.934 1177 HB2 GLN 135 HB2 GLN 135 -2.683 7.745 8.538 1178 HB3 GLN 135 HB3 GLN 135 -1.529 6.430 8.350 1179 HG2 GLN 135 HG2 GLN 135 -2.098 7.914 10.935 1180 HG3 GLN 135 HG3 GLN 135 -2.769 6.347 10.486 1181 HE21 GLN 135 HE21 GLN 135 0.087 8.044 11.541 1182 HE22 GLN 135 HE22 GLN 135 1.013 6.645 11.932 1183 H TYR 136 H TYR 136 0.926 7.206 6.917 1184 HA TYR 136 HA TYR 136 0.172 8.721 4.540 1185 HB2 TYR 136 HB2 TYR 136 2.258 6.557 5.003 1186 HB3 TYR 136 HB3 TYR 136 1.862 7.149 3.391 1187 HD1 TYR 136 HD1 TYR 136 1.819 9.873 3.255 1188 HD2 TYR 136 HD2 TYR 136 4.141 7.552 6.011 1189 HE1 TYR 136 HE1 TYR 136 3.403 11.744 3.520 1190 HE2 TYR 136 HE2 TYR 136 5.713 9.423 6.262 1191 HH TYR 136 HH TYR 136 6.438 11.357 4.827 1192 H LEU 137 H LEU 137 -1.539 8.180 3.453 1193 HA LEU 137 HA LEU 137 -2.663 5.498 3.361 1194 HB2 LEU 137 HB2 LEU 137 -3.808 7.977 3.257 1195 HB3 LEU 137 HB3 LEU 137 -3.620 7.700 1.541 1196 HG LEU 137 HG LEU 137 -5.211 5.948 3.459 1197 HD11 LEU 137 HD11 LEU 137 -7.200 6.835 2.338 1198 HD12 LEU 137 HD12 LEU 137 -6.189 7.899 1.358 1199 HD13 LEU 137 HD13 LEU 137 -6.264 8.116 3.108 1200 HD21 LEU 137 HD21 LEU 137 -4.991 5.716 0.434 1201 HD22 LEU 137 HD22 LEU 137 -6.055 4.768 1.476 1202 HD23 LEU 137 HD23 LEU 137 -4.309 4.595 1.614 1203 H ARG 138 H ARG 138 -2.165 4.048 1.693 1204 HA ARG 138 HA ARG 138 -0.658 5.025 -0.655 1205 HB2 ARG 138 HB2 ARG 138 1.089 3.405 -0.441 1206 HB3 ARG 138 HB3 ARG 138 0.958 4.184 1.124 1207 HG2 ARG 138 HG2 ARG 138 -0.132 1.425 0.436 1208 HG3 ARG 138 HG3 ARG 138 1.389 1.745 1.273 1209 HD2 ARG 138 HD2 ARG 138 0.197 2.678 3.175 1210 HD3 ARG 138 HD3 ARG 138 -1.349 2.569 2.328 1211 HE ARG 138 HE ARG 138 0.168 0.394 3.557 1212 HH11 ARG 138 HH11 ARG 138 -2.628 1.238 1.570 1213 HH12 ARG 138 HH12 ARG 138 -3.392 -0.298 1.812 1214 HH21 ARG 138 HH21 ARG 138 -0.850 -1.609 3.820 1215 HH22 ARG 138 HH22 ARG 138 -2.381 -1.903 3.061 1216 H GLU 139 H GLU 139 -1.159 4.037 -2.590 1217 HA GLU 139 HA GLU 139 -2.283 1.402 -2.742 1218 HB2 GLU 139 HB2 GLU 139 -4.300 2.712 -2.009 1219 HB3 GLU 139 HB3 GLU 139 -4.143 3.702 -3.453 1220 HG2 GLU 139 HG2 GLU 139 -5.856 2.039 -3.810 1221 HG3 GLU 139 HG3 GLU 139 -4.481 1.723 -4.866 Start of MODEL 18 1 H MET 1 H MET 1 -0.355 -0.682 0.313 2 HA MET 1 HA MET 1 1.950 -1.233 -0.044 3 HB2 MET 1 HB2 MET 1 0.189 -1.847 -1.675 4 HB3 MET 1 HB3 MET 1 0.473 -0.350 -2.548 5 HG2 MET 1 HG2 MET 1 1.501 -2.279 -3.673 6 HG3 MET 1 HG3 MET 1 2.704 -1.093 -3.165 7 HE1 MET 1 HE1 MET 1 4.656 -4.478 -2.764 8 HE2 MET 1 HE2 MET 1 4.701 -2.851 -3.447 9 HE3 MET 1 HE3 MET 1 3.524 -4.026 -4.038 10 H SER 2 H SER 2 3.968 -0.684 -1.318 11 HA SER 2 HA SER 2 5.087 1.718 -0.486 12 HB2 SER 2 HB2 SER 2 6.334 -0.353 -1.051 13 HB3 SER 2 HB3 SER 2 6.005 -0.082 -2.762 14 HG SER 2 HG SER 2 7.225 2.000 -1.359 15 H LYS 3 H LYS 3 3.209 1.196 -3.340 16 HA LYS 3 HA LYS 3 4.017 3.254 -5.062 17 HB2 LYS 3 HB2 LYS 3 1.687 3.081 -5.987 18 HB3 LYS 3 HB3 LYS 3 2.501 1.528 -5.818 19 HG2 LYS 3 HG2 LYS 3 1.232 0.971 -3.852 20 HG3 LYS 3 HG3 LYS 3 0.549 2.598 -3.743 21 HD2 LYS 3 HD2 LYS 3 0.025 0.677 -6.052 22 HD3 LYS 3 HD3 LYS 3 -1.023 0.835 -4.640 23 HE2 LYS 3 HE2 LYS 3 -1.183 3.340 -5.245 24 HE3 LYS 3 HE3 LYS 3 -0.474 2.892 -6.800 25 HZ1 LYS 3 HZ1 LYS 3 -2.865 2.948 -6.917 26 HZ2 LYS 3 HZ2 LYS 3 -3.001 1.843 -5.645 27 HZ3 LYS 3 HZ3 LYS 3 -2.337 1.359 -7.123 28 H ILE 4 H ILE 4 2.349 3.522 -2.030 29 HA ILE 4 HA ILE 4 1.401 5.169 -0.823 30 HB ILE 4 HB ILE 4 2.649 7.161 -2.776 31 HG12 ILE 4 HG12 ILE 4 4.393 5.615 -1.974 32 HG13 ILE 4 HG13 ILE 4 4.630 7.198 -1.244 33 HG21 ILE 4 HG21 ILE 4 2.756 8.724 -0.828 34 HG22 ILE 4 HG22 ILE 4 1.873 7.546 0.147 35 HG23 ILE 4 HG23 ILE 4 1.097 8.296 -1.247 36 HD11 ILE 4 HD11 ILE 4 3.442 4.762 0.089 37 HD12 ILE 4 HD12 ILE 4 3.595 6.355 0.839 38 HD13 ILE 4 HD13 ILE 4 5.037 5.460 0.364 39 H VAL 5 H VAL 5 -0.287 7.199 -1.149 40 HA VAL 5 HA VAL 5 -1.302 7.558 -3.836 41 HB VAL 5 HB VAL 5 -3.761 7.632 -3.007 42 HG11 VAL 5 HG11 VAL 5 -2.526 4.868 -3.263 43 HG12 VAL 5 HG12 VAL 5 -2.964 5.926 -4.609 44 HG13 VAL 5 HG13 VAL 5 -4.221 5.294 -3.544 45 HG21 VAL 5 HG21 VAL 5 -3.347 7.450 -0.590 46 HG22 VAL 5 HG22 VAL 5 -2.681 5.829 -0.812 47 HG23 VAL 5 HG23 VAL 5 -4.388 6.134 -1.144 48 H GLY 6 H GLY 6 -1.424 8.420 -0.399 49 HA2 GLY 6 HA2 GLY 6 -0.907 11.199 -0.891 50 HA3 GLY 6 HA3 GLY 6 -2.568 10.886 -0.392 51 H VAL 7 H VAL 7 -1.953 12.285 1.421 52 HA VAL 7 HA VAL 7 -1.016 10.602 3.682 53 HB VAL 7 HB VAL 7 0.624 12.445 3.148 54 HG11 VAL 7 HG11 VAL 7 0.074 14.796 3.649 55 HG12 VAL 7 HG12 VAL 7 -1.607 14.346 3.937 56 HG13 VAL 7 HG13 VAL 7 -0.911 14.163 2.326 57 HG21 VAL 7 HG21 VAL 7 0.542 11.548 5.438 58 HG22 VAL 7 HG22 VAL 7 -0.697 12.726 5.876 59 HG23 VAL 7 HG23 VAL 7 0.930 13.272 5.462 60 H THR 8 H THR 8 -2.124 11.167 5.754 61 HA THR 8 HA THR 8 -4.696 12.559 5.477 62 HB THR 8 HB THR 8 -5.321 10.228 5.188 63 HG1 THR 8 HG1 THR 8 -6.737 11.422 6.515 64 HG21 THR 8 HG21 THR 8 -4.882 8.488 6.891 65 HG22 THR 8 HG22 THR 8 -3.868 9.624 7.786 66 HG23 THR 8 HG23 THR 8 -3.387 9.092 6.173 67 H TYR 9 H TYR 9 -5.320 13.690 7.234 68 HA TYR 9 HA TYR 9 -3.813 13.494 9.760 69 HB2 TYR 9 HB2 TYR 9 -4.017 15.921 7.973 70 HB3 TYR 9 HB3 TYR 9 -4.094 16.192 9.704 71 HD1 TYR 9 HD1 TYR 9 -1.886 15.009 6.931 72 HD2 TYR 9 HD2 TYR 9 -2.112 16.024 11.080 73 HE1 TYR 9 HE1 TYR 9 0.572 15.051 7.062 74 HE2 TYR 9 HE2 TYR 9 0.336 16.072 11.204 75 HH TYR 9 HH TYR 9 2.257 14.956 9.908 76 HA PRO 10 HA PRO 10 -7.999 14.078 11.506 77 HB2 PRO 10 HB2 PRO 10 -7.233 14.668 14.094 78 HB3 PRO 10 HB3 PRO 10 -7.272 13.024 13.456 79 HG2 PRO 10 HG2 PRO 10 -4.920 14.887 13.720 80 HG3 PRO 10 HG3 PRO 10 -5.027 13.162 14.137 81 HD2 PRO 10 HD2 PRO 10 -3.889 13.993 11.836 82 HD3 PRO 10 HD3 PRO 10 -4.825 12.485 11.908 83 H ILE 11 H ILE 11 -5.290 16.285 11.928 84 HA ILE 11 HA ILE 11 -4.958 18.469 12.143 85 HB ILE 11 HB ILE 11 -7.645 18.787 10.746 86 HG12 ILE 11 HG12 ILE 11 -4.798 18.731 9.636 87 HG13 ILE 11 HG13 ILE 11 -6.004 17.465 9.434 88 HG21 ILE 11 HG21 ILE 11 -6.880 21.068 10.135 89 HG22 ILE 11 HG22 ILE 11 -5.421 20.843 11.100 90 HG23 ILE 11 HG23 ILE 11 -7.000 20.885 11.887 91 HD11 ILE 11 HD11 ILE 11 -6.117 20.250 8.286 92 HD12 ILE 11 HD12 ILE 11 -7.371 19.018 8.107 93 HD13 ILE 11 HD13 ILE 11 -5.768 18.754 7.423 94 HA PRO 12 HA PRO 12 -7.177 19.156 16.124 95 HB2 PRO 12 HB2 PRO 12 -5.087 20.450 17.343 96 HB3 PRO 12 HB3 PRO 12 -5.188 18.685 17.258 97 HG2 PRO 12 HG2 PRO 12 -3.637 20.582 15.489 98 HG3 PRO 12 HG3 PRO 12 -3.090 19.071 16.252 99 HD2 PRO 12 HD2 PRO 12 -3.859 19.143 13.655 100 HD3 PRO 12 HD3 PRO 12 -4.181 17.724 14.677 101 H LYS 13 H LYS 13 -7.205 21.412 17.402 102 HA LYS 13 HA LYS 13 -7.914 23.574 17.471 103 HB2 LYS 13 HB2 LYS 13 -5.636 23.852 16.175 104 HB3 LYS 13 HB3 LYS 13 -6.633 24.101 14.759 105 HG2 LYS 13 HG2 LYS 13 -6.177 26.274 15.416 106 HG3 LYS 13 HG3 LYS 13 -7.746 26.009 16.171 107 HD2 LYS 13 HD2 LYS 13 -6.714 25.672 18.341 108 HD3 LYS 13 HD3 LYS 13 -5.099 25.653 17.626 109 HE2 LYS 13 HE2 LYS 13 -5.400 28.041 16.953 110 HE3 LYS 13 HE3 LYS 13 -6.980 28.039 17.744 111 HZ1 LYS 13 HZ1 LYS 13 -4.395 27.524 19.113 112 HZ2 LYS 13 HZ2 LYS 13 -5.914 27.656 19.848 113 HZ3 LYS 13 HZ3 LYS 13 -5.208 29.002 19.105 114 H ARG 14 H ARG 14 -9.171 25.293 15.819 115 HA ARG 14 HA ARG 14 -11.566 23.953 14.925 116 HB2 ARG 14 HB2 ARG 14 -10.695 26.842 14.546 117 HB3 ARG 14 HB3 ARG 14 -12.339 26.227 14.355 118 HG2 ARG 14 HG2 ARG 14 -12.465 25.742 16.740 119 HG3 ARG 14 HG3 ARG 14 -10.775 26.224 16.954 120 HD2 ARG 14 HD2 ARG 14 -12.235 28.038 17.648 121 HD3 ARG 14 HD3 ARG 14 -11.342 28.505 16.194 122 HE ARG 14 HE ARG 14 -13.964 27.392 15.668 123 HH11 ARG 14 HH11 ARG 14 -12.196 30.362 16.257 124 HH12 ARG 14 HH12 ARG 14 -13.467 31.372 15.658 125 HH21 ARG 14 HH21 ARG 14 -15.604 28.730 14.847 126 HH22 ARG 14 HH22 ARG 14 -15.395 30.454 14.862 127 H PHE 15 H PHE 15 -8.629 24.591 13.442 128 HA PHE 15 HA PHE 15 -9.458 25.663 10.931 129 HB2 PHE 15 HB2 PHE 15 -6.745 24.556 11.713 130 HB3 PHE 15 HB3 PHE 15 -7.084 25.619 10.349 131 HD1 PHE 15 HD1 PHE 15 -9.112 27.378 12.108 132 HD2 PHE 15 HD2 PHE 15 -5.049 26.112 12.586 133 HE1 PHE 15 HE1 PHE 15 -8.676 29.306 13.559 134 HE2 PHE 15 HE2 PHE 15 -4.627 28.059 14.026 135 HZ PHE 15 HZ PHE 15 -6.439 29.642 14.519 136 H MET 16 H MET 16 -9.851 22.582 11.895 137 HA MET 16 HA MET 16 -9.223 21.095 9.555 138 HB2 MET 16 HB2 MET 16 -9.736 20.006 11.700 139 HB3 MET 16 HB3 MET 16 -11.359 20.679 11.693 140 HG2 MET 16 HG2 MET 16 -10.433 18.803 9.518 141 HG3 MET 16 HG3 MET 16 -11.064 18.202 11.049 142 HE1 MET 16 HE1 MET 16 -14.778 19.346 10.988 143 HE2 MET 16 HE2 MET 16 -13.422 20.099 11.827 144 HE3 MET 16 HE3 MET 16 -13.570 18.341 11.790 145 H ASP 17 H ASP 17 -12.075 22.945 10.608 146 HA ASP 17 HA ASP 17 -13.794 22.282 8.430 147 HB2 ASP 17 HB2 ASP 17 -13.909 24.591 10.405 148 HB3 ASP 17 HB3 ASP 17 -15.212 24.179 9.293 149 H ARG 18 H ARG 18 -11.189 24.493 8.631 150 HA ARG 18 HA ARG 18 -11.808 26.648 6.983 151 HB2 ARG 18 HB2 ARG 18 -9.219 25.089 7.314 152 HB3 ARG 18 HB3 ARG 18 -9.305 26.544 6.330 153 HG2 ARG 18 HG2 ARG 18 -10.017 26.480 9.272 154 HG3 ARG 18 HG3 ARG 18 -8.402 26.837 8.660 155 HD2 ARG 18 HD2 ARG 18 -9.545 28.708 7.277 156 HD3 ARG 18 HD3 ARG 18 -10.936 28.462 8.345 157 HE ARG 18 HE ARG 18 -8.285 28.991 9.514 158 HH11 ARG 18 HH11 ARG 18 -11.582 30.081 9.039 159 HH12 ARG 18 HH12 ARG 18 -11.386 31.482 10.045 160 HH21 ARG 18 HH21 ARG 18 -8.027 30.823 10.800 161 HH22 ARG 18 HH22 ARG 18 -9.360 31.906 11.035 162 H PHE 19 H PHE 19 -10.609 23.460 6.043 163 HA PHE 19 HA PHE 19 -10.051 24.015 3.334 164 HB2 PHE 19 HB2 PHE 19 -10.612 21.325 4.675 165 HB3 PHE 19 HB3 PHE 19 -9.868 21.523 3.094 166 HD1 PHE 19 HD1 PHE 19 -9.330 22.413 6.710 167 HD2 PHE 19 HD2 PHE 19 -7.523 21.595 2.923 168 HE1 PHE 19 HE1 PHE 19 -7.107 22.476 7.749 169 HE2 PHE 19 HE2 PHE 19 -5.305 21.643 3.980 170 HZ PHE 19 HZ PHE 19 -5.098 22.098 6.385 171 H PHE 20 H PHE 20 -12.960 23.104 4.968 172 HA PHE 20 HA PHE 20 -14.393 22.212 2.571 173 HB2 PHE 20 HB2 PHE 20 -15.293 22.326 5.487 174 HB3 PHE 20 HB3 PHE 20 -16.096 21.456 4.178 175 HD1 PHE 20 HD1 PHE 20 -14.872 19.541 3.062 176 HD2 PHE 20 HD2 PHE 20 -13.493 21.293 6.702 177 HE1 PHE 20 HE1 PHE 20 -13.479 17.583 3.479 178 HE2 PHE 20 HE2 PHE 20 -12.091 19.316 7.111 179 HZ PHE 20 HZ PHE 20 -12.083 17.461 5.498 180 H LYS 21 H LYS 21 -14.203 24.876 4.815 181 HA LYS 21 HA LYS 21 -16.593 26.256 4.232 182 HB2 LYS 21 HB2 LYS 21 -15.345 26.779 6.222 183 HB3 LYS 21 HB3 LYS 21 -13.883 27.126 5.318 184 HG2 LYS 21 HG2 LYS 21 -16.312 28.865 4.894 185 HG3 LYS 21 HG3 LYS 21 -15.366 29.070 6.370 186 HD2 LYS 21 HD2 LYS 21 -13.341 29.561 5.031 187 HD3 LYS 21 HD3 LYS 21 -14.237 29.271 3.540 188 HE2 LYS 21 HE2 LYS 21 -15.717 31.188 4.061 189 HE3 LYS 21 HE3 LYS 21 -14.791 31.492 5.528 190 HZ1 LYS 21 HZ1 LYS 21 -14.115 32.939 3.738 191 HZ2 LYS 21 HZ2 LYS 21 -13.739 31.611 2.762 192 HZ3 LYS 21 HZ3 LYS 21 -12.849 31.907 4.166 193 H LYS 22 H LYS 22 -13.352 26.413 2.820 194 HA LYS 22 HA LYS 22 -14.183 28.485 0.880 195 HB2 LYS 22 HB2 LYS 22 -11.754 28.893 0.623 196 HB3 LYS 22 HB3 LYS 22 -12.286 29.041 2.294 197 HG2 LYS 22 HG2 LYS 22 -11.470 26.618 2.605 198 HG3 LYS 22 HG3 LYS 22 -10.687 26.802 1.037 199 HD2 LYS 22 HD2 LYS 22 -9.053 27.244 2.746 200 HD3 LYS 22 HD3 LYS 22 -9.422 28.778 1.957 201 HE2 LYS 22 HE2 LYS 22 -10.760 29.486 3.860 202 HE3 LYS 22 HE3 LYS 22 -10.667 27.878 4.579 203 HZ1 LYS 22 HZ1 LYS 22 -8.299 29.606 4.118 204 HZ2 LYS 22 HZ2 LYS 22 -8.335 28.138 4.948 205 HZ3 LYS 22 HZ3 LYS 22 -9.121 29.489 5.592 206 H GLY 23 H GLY 23 -13.473 25.117 1.028 207 HA2 GLY 23 HA2 GLY 23 -13.671 23.499 -0.602 208 HA3 GLY 23 HA3 GLY 23 -13.997 24.752 -1.787 209 H LYS 24 H LYS 24 -11.227 25.777 -0.490 210 HA LYS 24 HA LYS 24 -9.240 24.045 -1.635 211 HB2 LYS 24 HB2 LYS 24 -9.951 25.170 -3.703 212 HB3 LYS 24 HB3 LYS 24 -9.791 26.748 -2.937 213 HG2 LYS 24 HG2 LYS 24 -7.345 26.430 -2.759 214 HG3 LYS 24 HG3 LYS 24 -7.487 24.830 -3.496 215 HD2 LYS 24 HD2 LYS 24 -8.210 27.472 -4.832 216 HD3 LYS 24 HD3 LYS 24 -6.733 26.549 -5.125 217 HE2 LYS 24 HE2 LYS 24 -8.061 24.684 -6.020 218 HE3 LYS 24 HE3 LYS 24 -9.554 25.560 -5.683 219 HZ1 LYS 24 HZ1 LYS 24 -8.921 25.731 -7.988 220 HZ2 LYS 24 HZ2 LYS 24 -7.440 26.422 -7.567 221 HZ3 LYS 24 HZ3 LYS 24 -8.878 27.252 -7.251 222 H ASP 25 H ASP 25 -7.920 24.093 0.046 223 HA ASP 25 HA ASP 25 -7.328 26.632 1.456 224 HB2 ASP 25 HB2 ASP 25 -8.681 24.855 2.684 225 HB3 ASP 25 HB3 ASP 25 -7.277 23.812 2.586 226 H VAL 26 H VAL 26 -5.111 26.330 2.712 227 HA VAL 26 HA VAL 26 -3.142 24.761 1.159 228 HB VAL 26 HB VAL 26 -2.761 27.659 2.065 229 HG11 VAL 26 HG11 VAL 26 -0.482 27.505 1.084 230 HG12 VAL 26 HG12 VAL 26 -0.728 25.779 0.805 231 HG13 VAL 26 HG13 VAL 26 -0.690 26.409 2.452 232 HG21 VAL 26 HG21 VAL 26 -4.030 27.479 -0.038 233 HG22 VAL 26 HG22 VAL 26 -2.761 26.472 -0.737 234 HG23 VAL 26 HG23 VAL 26 -2.428 28.160 -0.338 235 H PHE 27 H PHE 27 -2.518 23.251 2.578 236 HA PHE 27 HA PHE 27 -2.497 23.705 5.462 237 HB2 PHE 27 HB2 PHE 27 -3.469 21.605 4.506 238 HB3 PHE 27 HB3 PHE 27 -1.892 21.170 3.866 239 HD1 PHE 27 HD1 PHE 27 -3.516 22.079 7.128 240 HD2 PHE 27 HD2 PHE 27 -0.587 19.691 5.141 241 HE1 PHE 27 HE1 PHE 27 -3.046 20.911 9.228 242 HE2 PHE 27 HE2 PHE 27 -0.123 18.524 7.248 243 HZ PHE 27 HZ PHE 27 -1.348 19.124 9.297 244 H VAL 28 H VAL 28 -0.717 24.728 6.224 245 HA VAL 28 HA VAL 28 1.897 24.333 4.974 246 HB VAL 28 HB VAL 28 2.693 26.165 6.492 247 HG11 VAL 28 HG11 VAL 28 1.942 26.680 4.219 248 HG12 VAL 28 HG12 VAL 28 1.478 27.989 5.309 249 HG13 VAL 28 HG13 VAL 28 0.270 26.819 4.770 250 HG21 VAL 28 HG21 VAL 28 -0.237 26.384 7.320 251 HG22 VAL 28 HG22 VAL 28 1.038 27.541 7.729 252 HG23 VAL 28 HG23 VAL 28 1.104 25.897 8.365 253 H LYS 29 H LYS 29 3.326 22.977 5.693 254 HA LYS 29 HA LYS 29 3.297 21.900 8.434 255 HB2 LYS 29 HB2 LYS 29 4.432 20.807 5.826 256 HB3 LYS 29 HB3 LYS 29 4.810 20.093 7.389 257 HG2 LYS 29 HG2 LYS 29 1.909 20.374 6.645 258 HG3 LYS 29 HG3 LYS 29 2.864 19.163 5.794 259 HD2 LYS 29 HD2 LYS 29 1.776 18.089 7.665 260 HD3 LYS 29 HD3 LYS 29 3.504 18.156 7.989 261 HE2 LYS 29 HE2 LYS 29 3.085 20.137 9.472 262 HE3 LYS 29 HE3 LYS 29 1.351 19.918 9.212 263 HZ1 LYS 29 HZ1 LYS 29 3.238 18.048 10.519 264 HZ2 LYS 29 HZ2 LYS 29 1.657 17.626 10.108 265 HZ3 LYS 29 HZ3 LYS 29 1.938 18.858 11.235 266 HA PRO 30 HA PRO 30 7.290 24.150 8.883 267 HB2 PRO 30 HB2 PRO 30 7.797 23.510 11.476 268 HB3 PRO 30 HB3 PRO 30 6.528 24.664 11.036 269 HG2 PRO 30 HG2 PRO 30 6.268 21.741 11.746 270 HG3 PRO 30 HG3 PRO 30 5.295 23.117 12.309 271 HD2 PRO 30 HD2 PRO 30 4.484 21.458 10.278 272 HD3 PRO 30 HD3 PRO 30 4.008 23.170 10.377 273 H ALA 31 H ALA 31 7.612 22.060 7.282 274 HA ALA 31 HA ALA 31 8.718 20.231 6.571 275 HB1 ALA 31 HB1 ALA 31 10.702 21.623 6.976 276 HB2 ALA 31 HB2 ALA 31 11.058 19.925 7.291 277 HB3 ALA 31 HB3 ALA 31 10.793 21.037 8.638 278 H THR 32 H THR 32 7.171 18.720 7.210 279 HA THR 32 HA THR 32 7.901 16.993 9.504 280 HB THR 32 HB THR 32 5.046 17.679 8.657 281 HG1 THR 32 HG1 THR 32 6.708 18.742 10.673 282 HG21 THR 32 HG21 THR 32 4.359 16.521 10.732 283 HG22 THR 32 HG22 THR 32 6.038 16.076 11.044 284 HG23 THR 32 HG23 THR 32 5.197 15.424 9.633 285 H VAL 33 H VAL 33 5.516 16.979 6.828 286 HA VAL 33 HA VAL 33 6.496 14.324 5.981 287 HB VAL 33 HB VAL 33 4.216 14.058 4.884 288 HG11 VAL 33 HG11 VAL 33 3.042 13.453 6.967 289 HG12 VAL 33 HG12 VAL 33 4.206 14.392 7.905 290 HG13 VAL 33 HG13 VAL 33 4.737 12.960 7.019 291 HG21 VAL 33 HG21 VAL 33 3.454 16.491 6.554 292 HG22 VAL 33 HG22 VAL 33 2.325 15.455 5.674 293 HG23 VAL 33 HG23 VAL 33 3.506 16.424 4.791 294 H TRP 34 H TRP 34 7.900 14.625 4.409 295 HA TRP 34 HA TRP 34 7.212 16.226 2.021 296 HB2 TRP 34 HB2 TRP 34 9.615 17.005 1.911 297 HB3 TRP 34 HB3 TRP 34 8.735 17.660 3.287 298 HD1 TRP 34 HD1 TRP 34 9.530 16.901 5.740 299 HE1 TRP 34 HE1 TRP 34 11.658 15.759 6.601 300 HE3 TRP 34 HE3 TRP 34 11.455 15.223 1.281 301 HZ2 TRP 34 HZ2 TRP 34 13.856 14.333 5.565 302 HZ3 TRP 34 HZ3 TRP 34 13.579 13.972 1.314 303 HH2 TRP 34 HH2 TRP 34 14.756 13.538 3.417 304 H LYS 35 H LYS 35 8.106 13.318 3.338 305 HA LYS 35 HA LYS 35 10.209 12.374 1.695 306 HB2 LYS 35 HB2 LYS 35 8.146 10.767 3.272 307 HB3 LYS 35 HB3 LYS 35 9.709 10.176 2.708 308 HG2 LYS 35 HG2 LYS 35 10.863 11.738 4.225 309 HG3 LYS 35 HG3 LYS 35 9.312 12.391 4.754 310 HD2 LYS 35 HD2 LYS 35 10.116 10.828 6.434 311 HD3 LYS 35 HD3 LYS 35 8.699 10.137 5.643 312 HE2 LYS 35 HE2 LYS 35 10.219 8.755 4.215 313 HE3 LYS 35 HE3 LYS 35 11.601 9.404 5.099 314 HZ1 LYS 35 HZ1 LYS 35 11.025 7.291 5.992 315 HZ2 LYS 35 HZ2 LYS 35 9.406 7.737 6.187 316 HZ3 LYS 35 HZ3 LYS 35 10.605 8.458 7.139 317 H GLU 36 H GLU 36 6.734 11.561 1.732 318 HA GLU 36 HA GLU 36 6.891 10.543 -1.043 319 HB2 GLU 36 HB2 GLU 36 4.495 10.240 0.810 320 HB3 GLU 36 HB3 GLU 36 4.915 9.281 -0.607 321 HG2 GLU 36 HG2 GLU 36 6.245 9.230 2.120 322 HG3 GLU 36 HG3 GLU 36 5.256 7.970 1.390 323 H LEU 37 H LEU 37 6.127 13.345 0.644 324 HA LEU 37 HA LEU 37 3.629 14.089 -0.470 325 HB2 LEU 37 HB2 LEU 37 5.296 15.112 1.555 326 HB3 LEU 37 HB3 LEU 37 5.274 16.392 0.366 327 HG LEU 37 HG LEU 37 3.561 16.876 1.965 328 HD11 LEU 37 HD11 LEU 37 2.944 17.333 -0.375 329 HD12 LEU 37 HD12 LEU 37 1.548 16.993 0.643 330 HD13 LEU 37 HD13 LEU 37 2.143 15.755 -0.468 331 HD21 LEU 37 HD21 LEU 37 1.758 15.347 2.564 332 HD22 LEU 37 HD22 LEU 37 3.331 14.648 2.942 333 HD23 LEU 37 HD23 LEU 37 2.442 14.096 1.519 334 H LYS 38 H LYS 38 3.310 14.406 -2.582 335 HA LYS 38 HA LYS 38 5.041 16.269 -4.056 336 HB2 LYS 38 HB2 LYS 38 5.273 14.839 -5.968 337 HB3 LYS 38 HB3 LYS 38 5.749 13.898 -4.575 338 HG2 LYS 38 HG2 LYS 38 4.503 12.308 -5.686 339 HG3 LYS 38 HG3 LYS 38 3.232 13.021 -4.692 340 HD2 LYS 38 HD2 LYS 38 2.458 12.705 -7.017 341 HD3 LYS 38 HD3 LYS 38 2.501 14.413 -6.598 342 HE2 LYS 38 HE2 LYS 38 4.637 14.669 -7.807 343 HE3 LYS 38 HE3 LYS 38 4.625 12.950 -8.208 344 HZ1 LYS 38 HZ1 LYS 38 2.612 13.296 -9.485 345 HZ2 LYS 38 HZ2 LYS 38 3.839 14.321 -10.035 346 HZ3 LYS 38 HZ3 LYS 38 2.593 14.937 -9.074 347 HA PRO 39 HA PRO 39 1.094 17.978 -5.317 348 HB2 PRO 39 HB2 PRO 39 1.753 19.204 -7.683 349 HB3 PRO 39 HB3 PRO 39 2.264 19.827 -6.107 350 HG2 PRO 39 HG2 PRO 39 3.818 18.159 -8.077 351 HG3 PRO 39 HG3 PRO 39 4.346 19.591 -7.168 352 HD2 PRO 39 HD2 PRO 39 4.972 17.058 -6.385 353 HD3 PRO 39 HD3 PRO 39 4.708 18.373 -5.209 354 H GLY 40 H GLY 40 -0.339 16.392 -5.783 355 HA2 GLY 40 HA2 GLY 40 -1.501 15.696 -8.030 356 HA3 GLY 40 HA3 GLY 40 -0.065 14.690 -8.174 357 H MET 41 H MET 41 -0.194 14.556 -5.079 358 HA MET 41 HA MET 41 -1.640 12.075 -4.906 359 HB2 MET 41 HB2 MET 41 -0.272 13.740 -2.754 360 HB3 MET 41 HB3 MET 41 -0.954 12.143 -2.490 361 HG2 MET 41 HG2 MET 41 0.696 11.390 -4.368 362 HG3 MET 41 HG3 MET 41 1.519 12.912 -4.011 363 HE1 MET 41 HE1 MET 41 0.541 12.812 -0.702 364 HE2 MET 41 HE2 MET 41 2.039 13.535 -1.292 365 HE3 MET 41 HE3 MET 41 2.090 12.286 -0.044 366 H LYS 42 H LYS 42 -2.982 11.812 -2.781 367 HA LYS 42 HA LYS 42 -5.061 13.916 -2.638 368 HB2 LYS 42 HB2 LYS 42 -6.390 12.027 -1.493 369 HB3 LYS 42 HB3 LYS 42 -6.157 11.925 -3.229 370 HG2 LYS 42 HG2 LYS 42 -4.409 10.241 -2.905 371 HG3 LYS 42 HG3 LYS 42 -4.557 10.403 -1.156 372 HD2 LYS 42 HD2 LYS 42 -5.747 8.386 -2.091 373 HD3 LYS 42 HD3 LYS 42 -6.797 9.475 -1.181 374 HE2 LYS 42 HE2 LYS 42 -7.730 10.382 -3.233 375 HE3 LYS 42 HE3 LYS 42 -6.572 9.492 -4.216 376 HZ1 LYS 42 HZ1 LYS 42 -7.600 7.436 -3.492 377 HZ2 LYS 42 HZ2 LYS 42 -8.747 8.451 -4.207 378 HZ3 LYS 42 HZ3 LYS 42 -8.692 8.287 -2.525 379 H PHE 43 H PHE 43 -6.005 14.305 -0.559 380 HA PHE 43 HA PHE 43 -4.422 13.637 1.818 381 HB2 PHE 43 HB2 PHE 43 -3.880 15.977 0.882 382 HB3 PHE 43 HB3 PHE 43 -5.513 16.432 1.322 383 HD1 PHE 43 HD1 PHE 43 -5.933 15.439 4.018 384 HD2 PHE 43 HD2 PHE 43 -2.344 16.985 2.280 385 HE1 PHE 43 HE1 PHE 43 -5.155 16.140 6.235 386 HE2 PHE 43 HE2 PHE 43 -1.576 17.673 4.505 387 HZ PHE 43 HZ PHE 43 -2.975 17.256 6.480 388 H VAL 44 H VAL 44 -5.903 12.345 2.769 389 HA VAL 44 HA VAL 44 -8.739 13.072 2.811 390 HB VAL 44 HB VAL 44 -7.342 10.641 4.021 391 HG11 VAL 44 HG11 VAL 44 -9.507 11.115 5.113 392 HG12 VAL 44 HG12 VAL 44 -9.610 9.650 4.134 393 HG13 VAL 44 HG13 VAL 44 -10.305 11.161 3.537 394 HG21 VAL 44 HG21 VAL 44 -7.085 10.679 1.571 395 HG22 VAL 44 HG22 VAL 44 -8.825 10.923 1.371 396 HG23 VAL 44 HG23 VAL 44 -8.217 9.409 2.046 397 H PHE 45 H PHE 45 -9.736 13.907 4.532 398 HA PHE 45 HA PHE 45 -8.159 14.705 6.867 399 HB2 PHE 45 HB2 PHE 45 -10.909 15.668 5.979 400 HB3 PHE 45 HB3 PHE 45 -9.928 16.351 7.275 401 HD1 PHE 45 HD1 PHE 45 -7.678 17.401 6.671 402 HD2 PHE 45 HD2 PHE 45 -10.610 16.401 3.737 403 HE1 PHE 45 HE1 PHE 45 -6.581 18.892 5.060 404 HE2 PHE 45 HE2 PHE 45 -9.514 17.891 2.142 405 HZ PHE 45 HZ PHE 45 -7.499 19.138 2.790 406 H TYR 46 H TYR 46 -8.134 13.070 8.231 407 HA TYR 46 HA TYR 46 -10.295 11.332 8.915 408 HB2 TYR 46 HB2 TYR 46 -7.987 10.595 9.178 409 HB3 TYR 46 HB3 TYR 46 -7.615 11.940 10.247 410 HD1 TYR 46 HD1 TYR 46 -9.640 8.784 10.023 411 HD2 TYR 46 HD2 TYR 46 -7.875 11.672 12.612 412 HE1 TYR 46 HE1 TYR 46 -10.134 7.366 11.972 413 HE2 TYR 46 HE2 TYR 46 -8.365 10.264 14.554 414 HH TYR 46 HH TYR 46 -9.867 8.487 15.207 415 H GLN 47 H GLN 47 -11.443 11.259 10.885 416 HA GLN 47 HA GLN 47 -12.618 11.959 12.675 417 HB2 GLN 47 HB2 GLN 47 -10.450 12.535 13.684 418 HB3 GLN 47 HB3 GLN 47 -10.474 14.113 12.906 419 HG2 GLN 47 HG2 GLN 47 -12.313 14.844 14.284 420 HG3 GLN 47 HG3 GLN 47 -12.528 13.226 14.959 421 HE21 GLN 47 HE21 GLN 47 -11.011 12.453 16.462 422 HE22 GLN 47 HE22 GLN 47 -9.930 13.509 17.292 423 H SER 48 H SER 48 -14.401 13.287 13.077 424 HA SER 48 HA SER 48 -14.972 15.364 11.042 425 HB2 SER 48 HB2 SER 48 -16.904 13.735 12.747 426 HB3 SER 48 HB3 SER 48 -17.365 14.916 11.518 427 HG SER 48 HG SER 48 -15.644 13.170 10.455 428 H HIS 49 H HIS 49 -16.750 16.962 11.990 429 HA HIS 49 HA HIS 49 -15.494 18.615 13.916 430 HB2 HIS 49 HB2 HIS 49 -17.051 19.328 12.042 431 HB3 HIS 49 HB3 HIS 49 -18.394 18.691 12.988 432 HD1 HIS 49 HD1 HIS 49 -15.812 21.455 12.999 433 HD2 HIS 49 HD2 HIS 49 -19.368 20.459 14.909 434 HE1 HIS 49 HE1 HIS 49 -16.449 23.482 14.333 435 HE2 HIS 49 HE2 HIS 49 -18.515 22.802 15.600 436 H GLU 50 H GLU 50 -15.167 17.647 15.858 437 HA GLU 50 HA GLU 50 -15.403 16.724 17.878 438 HB2 GLU 50 HB2 GLU 50 -18.381 17.179 17.506 439 HB3 GLU 50 HB3 GLU 50 -17.737 16.364 18.918 440 HG2 GLU 50 HG2 GLU 50 -18.076 18.576 19.610 441 HG3 GLU 50 HG3 GLU 50 -16.341 18.443 19.353 442 H ASP 51 H ASP 51 -17.764 15.336 15.584 443 HA ASP 51 HA ASP 51 -17.963 12.777 16.754 444 HB2 ASP 51 HB2 ASP 51 -19.643 13.772 15.210 445 HB3 ASP 51 HB3 ASP 51 -18.504 13.630 13.878 446 H THR 52 H THR 52 -17.381 10.700 15.667 447 HA THR 52 HA THR 52 -14.517 10.638 15.003 448 HB THR 52 HB THR 52 -16.395 8.426 15.955 449 HG1 THR 52 HG1 THR 52 -14.745 10.281 17.262 450 HG21 THR 52 HG21 THR 52 -14.342 7.135 16.440 451 HG22 THR 52 HG22 THR 52 -13.359 8.415 15.731 452 HG23 THR 52 HG23 THR 52 -14.465 7.487 14.715 453 H GLY 53 H GLY 53 -13.748 9.682 13.140 454 HA2 GLY 53 HA2 GLY 53 -14.349 7.795 11.491 455 HA3 GLY 53 HA3 GLY 53 -15.696 8.845 11.062 456 H PHE 54 H PHE 54 -15.346 10.150 9.403 457 HA PHE 54 HA PHE 54 -12.771 11.499 9.004 458 HB2 PHE 54 HB2 PHE 54 -14.251 9.928 6.845 459 HB3 PHE 54 HB3 PHE 54 -13.006 11.113 6.500 460 HD1 PHE 54 HD1 PHE 54 -10.630 10.643 7.152 461 HD2 PHE 54 HD2 PHE 54 -13.672 7.660 7.449 462 HE1 PHE 54 HE1 PHE 54 -8.909 8.886 7.178 463 HE2 PHE 54 HE2 PHE 54 -11.953 5.922 7.436 464 HZ PHE 54 HZ PHE 54 -9.569 6.519 7.314 465 H VAL 55 H VAL 55 -13.084 13.604 8.249 466 HA VAL 55 HA VAL 55 -15.846 14.563 8.055 467 HB VAL 55 HB VAL 55 -14.376 15.821 9.507 468 HG11 VAL 55 HG11 VAL 55 -12.434 17.105 8.697 469 HG12 VAL 55 HG12 VAL 55 -12.624 16.379 7.101 470 HG13 VAL 55 HG13 VAL 55 -12.211 15.366 8.485 471 HG21 VAL 55 HG21 VAL 55 -16.149 17.094 8.387 472 HG22 VAL 55 HG22 VAL 55 -15.055 17.486 7.060 473 HG23 VAL 55 HG23 VAL 55 -14.737 18.110 8.680 474 H GLY 56 H GLY 56 -12.984 14.170 5.983 475 HA2 GLY 56 HA2 GLY 56 -14.481 14.104 3.590 476 HA3 GLY 56 HA3 GLY 56 -13.879 15.747 3.796 477 H GLU 57 H GLU 57 -12.760 15.334 1.789 478 HA GLU 57 HA GLU 57 -10.029 14.419 2.221 479 HB2 GLU 57 HB2 GLU 57 -9.912 12.989 0.255 480 HB3 GLU 57 HB3 GLU 57 -11.183 12.382 1.312 481 HG2 GLU 57 HG2 GLU 57 -12.895 13.389 -0.126 482 HG3 GLU 57 HG3 GLU 57 -11.643 14.071 -1.166 483 H ALA 58 H ALA 58 -8.774 14.907 0.018 484 HA ALA 58 HA ALA 58 -9.764 16.969 -1.712 485 HB1 ALA 58 HB1 ALA 58 -8.196 18.764 -0.995 486 HB2 ALA 58 HB2 ALA 58 -7.740 17.782 0.403 487 HB3 ALA 58 HB3 ALA 58 -9.389 18.385 0.251 488 H ARG 59 H ARG 59 -7.644 18.008 -2.845 489 HA ARG 59 HA ARG 59 -5.782 15.797 -3.449 490 HB2 ARG 59 HB2 ARG 59 -7.182 17.730 -5.325 491 HB3 ARG 59 HB3 ARG 59 -5.715 16.884 -5.811 492 HG2 ARG 59 HG2 ARG 59 -8.278 15.508 -4.907 493 HG3 ARG 59 HG3 ARG 59 -7.802 15.762 -6.592 494 HD2 ARG 59 HD2 ARG 59 -5.779 14.386 -6.238 495 HD3 ARG 59 HD3 ARG 59 -6.220 14.148 -4.545 496 HE ARG 59 HE ARG 59 -8.279 13.003 -5.434 497 HH11 ARG 59 HH11 ARG 59 -5.360 13.098 -7.399 498 HH12 ARG 59 HH12 ARG 59 -5.670 11.564 -8.141 499 HH21 ARG 59 HH21 ARG 59 -8.674 10.999 -6.411 500 HH22 ARG 59 HH22 ARG 59 -7.574 10.376 -7.596 501 H ILE 60 H ILE 60 -3.770 16.206 -3.102 502 HA ILE 60 HA ILE 60 -2.711 18.697 -2.226 503 HB ILE 60 HB ILE 60 -1.515 15.982 -2.850 504 HG12 ILE 60 HG12 ILE 60 -1.570 17.465 -0.196 505 HG13 ILE 60 HG13 ILE 60 -2.906 16.454 -0.717 506 HG21 ILE 60 HG21 ILE 60 0.677 16.742 -1.966 507 HG22 ILE 60 HG22 ILE 60 0.085 18.403 -1.959 508 HG23 ILE 60 HG23 ILE 60 0.251 17.532 -3.484 509 HD11 ILE 60 HD11 ILE 60 -1.460 14.510 -0.733 510 HD12 ILE 60 HD12 ILE 60 -1.407 15.320 0.834 511 HD13 ILE 60 HD13 ILE 60 -0.069 15.513 -0.299 512 H LYS 61 H LYS 61 -1.795 20.234 -3.331 513 HA LYS 61 HA LYS 61 -0.819 19.882 -6.100 514 HB2 LYS 61 HB2 LYS 61 -2.382 22.206 -4.886 515 HB3 LYS 61 HB3 LYS 61 -1.561 22.319 -6.430 516 HG2 LYS 61 HG2 LYS 61 -3.481 20.053 -6.150 517 HG3 LYS 61 HG3 LYS 61 -4.191 21.665 -6.136 518 HD2 LYS 61 HD2 LYS 61 -2.328 20.657 -8.326 519 HD3 LYS 61 HD3 LYS 61 -4.092 20.575 -8.400 520 HE2 LYS 61 HE2 LYS 61 -4.159 23.075 -8.117 521 HE3 LYS 61 HE3 LYS 61 -2.398 23.090 -8.238 522 HZ1 LYS 61 HZ1 LYS 61 -4.266 22.103 -10.320 523 HZ2 LYS 61 HZ2 LYS 61 -2.580 22.159 -10.448 524 HZ3 LYS 61 HZ3 LYS 61 -3.472 23.592 -10.335 525 H ARG 62 H ARG 62 0.405 22.136 -6.540 526 HA ARG 62 HA ARG 62 2.940 21.898 -5.921 527 HB2 ARG 62 HB2 ARG 62 3.204 24.375 -6.324 528 HB3 ARG 62 HB3 ARG 62 2.182 23.542 -7.495 529 HG2 ARG 62 HG2 ARG 62 0.160 24.365 -6.363 530 HG3 ARG 62 HG3 ARG 62 1.154 25.166 -5.140 531 HD2 ARG 62 HD2 ARG 62 2.169 26.552 -6.982 532 HD3 ARG 62 HD3 ARG 62 1.006 25.828 -8.099 533 HE ARG 62 HE ARG 62 -0.722 26.753 -6.437 534 HH11 ARG 62 HH11 ARG 62 2.285 28.405 -7.229 535 HH12 ARG 62 HH12 ARG 62 1.638 29.977 -6.885 536 HH21 ARG 62 HH21 ARG 62 -1.530 28.773 -5.970 537 HH22 ARG 62 HH22 ARG 62 -0.543 30.183 -6.187 538 H VAL 63 H VAL 63 4.030 21.574 -4.093 539 HA VAL 63 HA VAL 63 3.327 22.851 -1.583 540 HB VAL 63 HB VAL 63 5.157 21.492 -0.572 541 HG11 VAL 63 HG11 VAL 63 3.247 19.874 -2.310 542 HG12 VAL 63 HG12 VAL 63 2.891 20.549 -0.718 543 HG13 VAL 63 HG13 VAL 63 4.098 19.273 -0.882 544 HG21 VAL 63 HG21 VAL 63 6.754 21.368 -2.463 545 HG22 VAL 63 HG22 VAL 63 5.622 20.377 -3.382 546 HG23 VAL 63 HG23 VAL 63 6.346 19.746 -1.901 547 H VAL 64 H VAL 64 3.918 24.894 -1.269 548 HA VAL 64 HA VAL 64 6.129 26.104 -2.740 549 HB VAL 64 HB VAL 64 4.080 27.348 -0.855 550 HG11 VAL 64 HG11 VAL 64 4.752 29.531 -1.812 551 HG12 VAL 64 HG12 VAL 64 6.037 28.728 -2.717 552 HG13 VAL 64 HG13 VAL 64 6.083 28.751 -0.952 553 HG21 VAL 64 HG21 VAL 64 2.945 28.167 -2.887 554 HG22 VAL 64 HG22 VAL 64 3.011 26.401 -2.865 555 HG23 VAL 64 HG23 VAL 64 4.120 27.314 -3.893 556 H LEU 65 H LEU 65 8.084 25.912 -1.879 557 HA LEU 65 HA LEU 65 8.492 25.409 0.970 558 HB2 LEU 65 HB2 LEU 65 10.558 25.453 -1.275 559 HB3 LEU 65 HB3 LEU 65 10.756 24.761 0.332 560 HG LEU 65 HG LEU 65 8.939 23.687 -1.877 561 HD11 LEU 65 HD11 LEU 65 10.461 21.766 -1.946 562 HD12 LEU 65 HD12 LEU 65 11.501 22.522 -0.735 563 HD13 LEU 65 HD13 LEU 65 11.308 23.266 -2.324 564 HD21 LEU 65 HD21 LEU 65 9.403 22.567 0.911 565 HD22 LEU 65 HD22 LEU 65 8.504 21.773 -0.387 566 HD23 LEU 65 HD23 LEU 65 7.908 23.280 0.298 567 H SER 66 H SER 66 8.969 27.045 2.314 568 HA SER 66 HA SER 66 10.762 29.204 1.521 569 HB2 SER 66 HB2 SER 66 8.577 30.177 0.981 570 HB3 SER 66 HB3 SER 66 7.945 29.749 2.572 571 HG SER 66 HG SER 66 8.581 31.746 2.950 572 H GLU 67 H GLU 67 11.956 29.929 3.173 573 HA GLU 67 HA GLU 67 11.925 28.539 5.699 574 HB2 GLU 67 HB2 GLU 67 13.736 30.550 4.362 575 HB3 GLU 67 HB3 GLU 67 13.974 30.136 6.054 576 HG2 GLU 67 HG2 GLU 67 14.489 27.876 5.542 577 HG3 GLU 67 HG3 GLU 67 13.877 28.011 3.905 578 H ASN 68 H ASN 68 10.447 31.402 4.524 579 HA ASN 68 HA ASN 68 9.799 32.225 7.302 580 HB2 ASN 68 HB2 ASN 68 9.384 33.831 4.746 581 HB3 ASN 68 HB3 ASN 68 8.974 34.368 6.366 582 HD21 ASN 68 HD21 ASN 68 10.697 35.680 4.502 583 HD22 ASN 68 HD22 ASN 68 12.260 35.786 5.229 584 HA PRO 69 HA PRO 69 5.783 30.246 6.306 585 HB2 PRO 69 HB2 PRO 69 4.611 30.753 8.768 586 HB3 PRO 69 HB3 PRO 69 5.708 29.403 8.457 587 HG2 PRO 69 HG2 PRO 69 6.309 32.084 9.691 588 HG3 PRO 69 HG3 PRO 69 6.839 30.471 10.209 589 HD2 PRO 69 HD2 PRO 69 8.468 32.114 8.816 590 HD3 PRO 69 HD3 PRO 69 8.505 30.350 8.580 591 H MET 70 H MET 70 6.513 33.528 7.022 592 HA MET 70 HA MET 70 3.835 34.589 7.050 593 HB2 MET 70 HB2 MET 70 6.561 35.917 6.884 594 HB3 MET 70 HB3 MET 70 5.056 36.829 6.855 595 HG2 MET 70 HG2 MET 70 5.931 36.883 9.089 596 HG3 MET 70 HG3 MET 70 4.481 35.884 9.088 597 HE1 MET 70 HE1 MET 70 8.798 34.289 9.556 598 HE2 MET 70 HE2 MET 70 8.369 36.000 9.557 599 HE3 MET 70 HE3 MET 70 8.262 35.062 8.066 600 H GLN 71 H GLN 71 6.129 33.754 4.604 601 HA GLN 71 HA GLN 71 5.233 35.523 2.561 602 HB2 GLN 71 HB2 GLN 71 6.728 32.890 2.283 603 HB3 GLN 71 HB3 GLN 71 6.488 34.069 0.993 604 HG2 GLN 71 HG2 GLN 71 7.695 35.738 2.564 605 HG3 GLN 71 HG3 GLN 71 8.201 34.312 3.470 606 HE21 GLN 71 HE21 GLN 71 9.862 36.217 2.076 607 HE22 GLN 71 HE22 GLN 71 10.735 35.345 0.862 608 H PHE 72 H PHE 72 4.083 32.446 3.727 609 HA PHE 72 HA PHE 72 2.472 31.741 1.466 610 HB2 PHE 72 HB2 PHE 72 2.089 30.894 4.364 611 HB3 PHE 72 HB3 PHE 72 1.473 30.065 2.935 612 HD1 PHE 72 HD1 PHE 72 3.956 30.156 1.191 613 HD2 PHE 72 HD2 PHE 72 3.445 29.234 5.336 614 HE1 PHE 72 HE1 PHE 72 5.975 28.755 1.141 615 HE2 PHE 72 HE2 PHE 72 5.450 27.847 5.261 616 HZ PHE 72 HZ PHE 72 6.724 27.597 3.176 617 H PHE 73 H PHE 73 2.079 34.021 4.038 618 HA PHE 73 HA PHE 73 -0.826 34.144 3.815 619 HB2 PHE 73 HB2 PHE 73 1.067 35.844 5.484 620 HB3 PHE 73 HB3 PHE 73 -0.693 35.819 5.619 621 HD1 PHE 73 HD1 PHE 73 -1.442 33.034 5.604 622 HD2 PHE 73 HD2 PHE 73 1.983 34.847 7.402 623 HE1 PHE 73 HE1 PHE 73 -1.284 31.173 7.198 624 HE2 PHE 73 HE2 PHE 73 2.118 32.987 8.982 625 HZ PHE 73 HZ PHE 73 0.499 31.143 8.891 626 H GLU 74 H GLU 74 2.013 36.172 2.989 627 HA GLU 74 HA GLU 74 0.471 38.247 1.756 628 HB2 GLU 74 HB2 GLU 74 2.557 39.076 0.831 629 HB3 GLU 74 HB3 GLU 74 2.818 38.576 2.498 630 HG2 GLU 74 HG2 GLU 74 3.808 36.453 1.682 631 HG3 GLU 74 HG3 GLU 74 3.604 37.010 0.019 632 H THR 75 H THR 75 1.611 35.118 0.669 633 HA THR 75 HA THR 75 1.039 35.570 -2.135 634 HB THR 75 HB THR 75 1.747 33.018 -0.619 635 HG1 THR 75 HG1 THR 75 3.352 34.759 -0.857 636 HG21 THR 75 HG21 THR 75 0.524 32.398 -2.670 637 HG22 THR 75 HG22 THR 75 2.235 32.007 -2.839 638 HG23 THR 75 HG23 THR 75 1.579 33.440 -3.632 639 H PHE 76 H PHE 76 -0.324 33.316 0.343 640 HA PHE 76 HA PHE 76 -2.838 33.112 -1.217 641 HB2 PHE 76 HB2 PHE 76 -1.918 31.335 1.083 642 HB3 PHE 76 HB3 PHE 76 -3.272 31.047 0.009 643 HD1 PHE 76 HD1 PHE 76 -2.733 30.685 -2.515 644 HD2 PHE 76 HD2 PHE 76 0.184 30.365 0.601 645 HE1 PHE 76 HE1 PHE 76 -1.321 29.293 -3.969 646 HE2 PHE 76 HE2 PHE 76 1.594 28.978 -0.866 647 HZ PHE 76 HZ PHE 76 0.839 28.437 -3.151 648 H GLY 77 H GLY 77 -1.961 32.921 2.267 649 HA2 GLY 77 HA2 GLY 77 -2.710 34.094 4.106 650 HA3 GLY 77 HA3 GLY 77 -3.548 35.197 3.025 651 H ASP 78 H ASP 78 -5.586 34.730 2.314 652 HA ASP 78 HA ASP 78 -7.460 33.699 4.097 653 HB2 ASP 78 HB2 ASP 78 -8.123 35.323 2.449 654 HB3 ASP 78 HB3 ASP 78 -7.588 34.297 1.129 655 H ARG 79 H ARG 79 -5.872 32.159 1.352 656 HA ARG 79 HA ARG 79 -7.483 29.816 1.308 657 HB2 ARG 79 HB2 ARG 79 -4.736 30.377 0.149 658 HB3 ARG 79 HB3 ARG 79 -5.586 28.854 -0.092 659 HG2 ARG 79 HG2 ARG 79 -6.529 31.597 -0.972 660 HG3 ARG 79 HG3 ARG 79 -5.892 30.319 -2.022 661 HD2 ARG 79 HD2 ARG 79 -7.800 28.845 -1.270 662 HD3 ARG 79 HD3 ARG 79 -8.473 30.229 -0.402 663 HE ARG 79 HE ARG 79 -8.120 31.041 -3.034 664 HH11 ARG 79 HH11 ARG 79 -9.989 28.547 -1.384 665 HH12 ARG 79 HH12 ARG 79 -11.295 28.599 -2.527 666 HH21 ARG 79 HH21 ARG 79 -9.838 31.083 -4.531 667 HH22 ARG 79 HH22 ARG 79 -11.205 30.044 -4.306 668 H VAL 80 H VAL 80 -4.501 30.643 3.026 669 HA VAL 80 HA VAL 80 -3.814 28.000 3.832 670 HB VAL 80 HB VAL 80 -3.136 30.568 5.333 671 HG11 VAL 80 HG11 VAL 80 -1.637 27.925 5.193 672 HG12 VAL 80 HG12 VAL 80 -2.581 28.506 6.568 673 HG13 VAL 80 HG13 VAL 80 -1.119 29.366 6.076 674 HG21 VAL 80 HG21 VAL 80 -1.627 29.352 2.989 675 HG22 VAL 80 HG22 VAL 80 -1.079 30.718 3.966 676 HG23 VAL 80 HG23 VAL 80 -2.530 30.871 2.970 677 H PHE 81 H PHE 81 -4.176 26.936 5.899 678 HA PHE 81 HA PHE 81 -6.822 27.170 6.865 679 HB2 PHE 81 HB2 PHE 81 -6.372 25.316 8.328 680 HB3 PHE 81 HB3 PHE 81 -5.575 25.022 6.795 681 HD1 PHE 81 HD1 PHE 81 -5.032 25.709 10.383 682 HD2 PHE 81 HD2 PHE 81 -3.141 24.870 6.649 683 HE1 PHE 81 HE1 PHE 81 -2.955 25.156 11.566 684 HE2 PHE 81 HE2 PHE 81 -1.069 24.307 7.843 685 HZ PHE 81 HZ PHE 81 -0.968 24.450 10.295 686 H LEU 82 H LEU 82 -4.168 28.993 7.711 687 HA LEU 82 HA LEU 82 -5.633 30.292 9.864 688 HB2 LEU 82 HB2 LEU 82 -3.951 30.120 11.499 689 HB3 LEU 82 HB3 LEU 82 -4.099 28.498 10.880 690 HG LEU 82 HG LEU 82 -1.834 30.439 10.195 691 HD11 LEU 82 HD11 LEU 82 -1.736 29.714 12.538 692 HD12 LEU 82 HD12 LEU 82 -0.409 29.033 11.600 693 HD13 LEU 82 HD13 LEU 82 -1.791 28.021 12.030 694 HD21 LEU 82 HD21 LEU 82 -0.714 28.527 9.161 695 HD22 LEU 82 HD22 LEU 82 -2.253 28.844 8.370 696 HD23 LEU 82 HD23 LEU 82 -2.107 27.496 9.497 697 H THR 83 H THR 83 -4.537 32.437 10.416 698 HA THR 83 HA THR 83 -2.952 33.455 8.121 699 HB THR 83 HB THR 83 -5.223 34.558 8.490 700 HG1 THR 83 HG1 THR 83 -3.785 36.755 8.701 701 HG21 THR 83 HG21 THR 83 -5.214 34.690 10.960 702 HG22 THR 83 HG22 THR 83 -5.399 36.286 10.234 703 HG23 THR 83 HG23 THR 83 -3.841 35.796 10.896 704 H LYS 84 H LYS 84 -1.781 35.653 9.096 705 HA LYS 84 HA LYS 84 0.465 34.644 10.417 706 HB2 LYS 84 HB2 LYS 84 0.453 36.611 8.897 707 HB3 LYS 84 HB3 LYS 84 -0.402 37.537 10.121 708 HG2 LYS 84 HG2 LYS 84 1.545 37.375 11.627 709 HG3 LYS 84 HG3 LYS 84 2.414 36.422 10.418 710 HD2 LYS 84 HD2 LYS 84 1.446 39.294 10.064 711 HD3 LYS 84 HD3 LYS 84 3.109 38.810 10.400 712 HE2 LYS 84 HE2 LYS 84 3.203 37.620 8.234 713 HE3 LYS 84 HE3 LYS 84 1.529 38.070 7.907 714 HZ1 LYS 84 HZ1 LYS 84 3.814 39.940 8.205 715 HZ2 LYS 84 HZ2 LYS 84 2.208 40.404 7.955 716 HZ3 LYS 84 HZ3 LYS 84 3.031 39.534 6.764 717 H ASP 85 H ASP 85 -2.370 36.346 11.712 718 HA ASP 85 HA ASP 85 -1.487 36.758 14.371 719 HB2 ASP 85 HB2 ASP 85 -4.300 36.305 13.288 720 HB3 ASP 85 HB3 ASP 85 -3.963 36.731 14.963 721 H GLU 86 H GLU 86 -3.164 33.986 12.871 722 HA GLU 86 HA GLU 86 -3.217 32.448 15.288 723 HB2 GLU 86 HB2 GLU 86 -3.656 31.620 12.418 724 HB3 GLU 86 HB3 GLU 86 -3.771 30.505 13.770 725 HG2 GLU 86 HG2 GLU 86 -5.977 31.053 13.416 726 HG3 GLU 86 HG3 GLU 86 -5.539 32.155 14.715 727 H LEU 87 H LEU 87 -0.843 32.900 12.779 728 HA LEU 87 HA LEU 87 0.773 30.602 13.334 729 HB2 LEU 87 HB2 LEU 87 1.021 31.765 11.204 730 HB3 LEU 87 HB3 LEU 87 1.418 33.269 12.021 731 HG LEU 87 HG LEU 87 3.515 32.157 12.906 732 HD11 LEU 87 HD11 LEU 87 2.806 29.936 10.979 733 HD12 LEU 87 HD12 LEU 87 2.872 29.827 12.743 734 HD13 LEU 87 HD13 LEU 87 4.345 30.127 11.825 735 HD21 LEU 87 HD21 LEU 87 4.813 32.466 10.922 736 HD22 LEU 87 HD22 LEU 87 3.527 33.670 10.931 737 HD23 LEU 87 HD23 LEU 87 3.402 32.248 9.889 738 H LYS 88 H LYS 88 0.919 34.031 14.386 739 HA LYS 88 HA LYS 88 3.305 33.714 15.893 740 HB2 LYS 88 HB2 LYS 88 2.718 35.986 16.911 741 HB3 LYS 88 HB3 LYS 88 2.925 35.925 15.173 742 HG2 LYS 88 HG2 LYS 88 1.062 37.283 15.326 743 HG3 LYS 88 HG3 LYS 88 0.315 35.717 15.125 744 HD2 LYS 88 HD2 LYS 88 -0.927 36.832 16.810 745 HD3 LYS 88 HD3 LYS 88 0.035 35.609 17.641 746 HE2 LYS 88 HE2 LYS 88 1.623 37.295 18.365 747 HE3 LYS 88 HE3 LYS 88 0.804 38.528 17.409 748 HZ1 LYS 88 HZ1 LYS 88 -1.146 38.274 18.809 749 HZ2 LYS 88 HZ2 LYS 88 0.207 38.669 19.745 750 HZ3 LYS 88 HZ3 LYS 88 -0.366 37.080 19.722 751 H GLU 89 H GLU 89 -0.145 33.552 16.834 752 HA GLU 89 HA GLU 89 0.357 33.158 19.626 753 HB2 GLU 89 HB2 GLU 89 -1.965 32.469 19.849 754 HB3 GLU 89 HB3 GLU 89 -1.877 33.868 18.782 755 HG2 GLU 89 HG2 GLU 89 -2.392 32.602 16.867 756 HG3 GLU 89 HG3 GLU 89 -1.949 31.083 17.630 757 H TYR 90 H TYR 90 0.166 30.977 16.852 758 HA TYR 90 HA TYR 90 0.090 28.514 18.272 759 HB2 TYR 90 HB2 TYR 90 -0.550 28.585 15.924 760 HB3 TYR 90 HB3 TYR 90 1.035 29.179 15.453 761 HD1 TYR 90 HD1 TYR 90 -0.448 26.219 17.276 762 HD2 TYR 90 HD2 TYR 90 2.490 27.610 14.495 763 HE1 TYR 90 HE1 TYR 90 0.308 23.909 16.923 764 HE2 TYR 90 HE2 TYR 90 3.256 25.291 14.148 765 HH TYR 90 HH TYR 90 3.211 23.123 15.352 766 H MET 91 H MET 91 2.773 30.471 16.983 767 HA MET 91 HA MET 91 4.829 28.628 17.747 768 HB2 MET 91 HB2 MET 91 4.955 31.554 16.931 769 HB3 MET 91 HB3 MET 91 6.382 30.579 17.264 770 HG2 MET 91 HG2 MET 91 5.681 29.016 15.442 771 HG3 MET 91 HG3 MET 91 4.356 30.115 15.059 772 HE1 MET 91 HE1 MET 91 5.807 33.011 15.479 773 HE2 MET 91 HE2 MET 91 4.726 32.596 14.147 774 HE3 MET 91 HE3 MET 91 6.308 33.297 13.812 775 H LYS 92 H LYS 92 3.440 31.571 19.244 776 HA LYS 92 HA LYS 92 5.159 31.561 21.519 777 HB2 LYS 92 HB2 LYS 92 2.378 32.775 21.265 778 HB3 LYS 92 HB3 LYS 92 3.460 33.033 22.625 779 HG2 LYS 92 HG2 LYS 92 3.826 33.995 19.776 780 HG3 LYS 92 HG3 LYS 92 3.497 34.970 21.198 781 HD2 LYS 92 HD2 LYS 92 5.754 35.368 21.121 782 HD3 LYS 92 HD3 LYS 92 5.865 33.827 21.970 783 HE2 LYS 92 HE2 LYS 92 6.231 32.679 19.788 784 HE3 LYS 92 HE3 LYS 92 6.138 34.237 18.962 785 HZ1 LYS 92 HZ1 LYS 92 8.165 33.450 20.982 786 HZ2 LYS 92 HZ2 LYS 92 8.080 34.956 20.218 787 HZ3 LYS 92 HZ3 LYS 92 8.415 33.570 19.313 788 H SER 93 H SER 93 2.192 29.868 20.735 789 HA SER 93 HA SER 93 1.435 28.902 23.270 790 HB2 SER 93 HB2 SER 93 -0.035 28.709 21.298 791 HB3 SER 93 HB3 SER 93 1.100 27.611 20.523 792 HG SER 93 HG SER 93 -0.687 27.158 22.604 793 H GLN 94 H GLN 94 3.684 27.616 20.840 794 HA GLN 94 HA GLN 94 4.188 25.139 22.206 795 HB2 GLN 94 HB2 GLN 94 5.706 26.427 19.906 796 HB3 GLN 94 HB3 GLN 94 5.837 24.742 20.408 797 HG2 GLN 94 HG2 GLN 94 3.379 26.078 19.233 798 HG3 GLN 94 HG3 GLN 94 4.462 24.977 18.391 799 HE21 GLN 94 HE21 GLN 94 1.542 24.848 18.992 800 HE22 GLN 94 HE22 GLN 94 1.309 23.311 19.748 801 H GLU 95 H GLU 95 5.276 28.235 22.925 802 HA GLU 95 HA GLU 95 7.649 27.128 24.335 803 HB2 GLU 95 HB2 GLU 95 8.685 29.370 24.181 804 HB3 GLU 95 HB3 GLU 95 8.384 28.649 22.605 805 HG2 GLU 95 HG2 GLU 95 6.312 30.077 22.441 806 HG3 GLU 95 HG3 GLU 95 6.828 30.892 23.921 807 H ARG 96 H ARG 96 4.641 28.925 24.715 808 HA ARG 96 HA ARG 96 5.308 29.642 27.485 809 HB2 ARG 96 HB2 ARG 96 3.135 30.738 27.637 810 HB3 ARG 96 HB3 ARG 96 3.970 31.279 26.190 811 HG2 ARG 96 HG2 ARG 96 2.530 29.804 24.820 812 HG3 ARG 96 HG3 ARG 96 1.700 29.262 26.276 813 HD2 ARG 96 HD2 ARG 96 0.414 30.977 25.036 814 HD3 ARG 96 HD3 ARG 96 0.833 31.507 26.666 815 HE ARG 96 HE ARG 96 2.821 32.459 24.962 816 HH11 ARG 96 HH11 ARG 96 -0.628 32.943 25.367 817 HH12 ARG 96 HH12 ARG 96 -0.589 34.584 24.817 818 HH21 ARG 96 HH21 ARG 96 2.871 34.623 24.277 819 HH22 ARG 96 HH22 ARG 96 1.404 35.539 24.190 820 H TRP 97 H TRP 97 2.914 27.568 25.800 821 HA TRP 97 HA TRP 97 2.275 26.089 28.217 822 HB2 TRP 97 HB2 TRP 97 1.553 25.413 25.320 823 HB3 TRP 97 HB3 TRP 97 0.833 24.717 26.768 824 HD1 TRP 97 HD1 TRP 97 0.105 27.230 24.242 825 HE1 TRP 97 HE1 TRP 97 -1.723 28.863 25.006 826 HE3 TRP 97 HE3 TRP 97 0.077 26.139 29.247 827 HZ2 TRP 97 HZ2 TRP 97 -3.003 29.599 27.398 828 HZ3 TRP 97 HZ3 TRP 97 -1.488 27.359 30.709 829 HH2 TRP 97 HH2 TRP 97 -2.998 29.056 29.799 830 H GLY 98 H GLY 98 4.193 25.696 25.270 831 HA2 GLY 98 HA2 GLY 98 5.336 23.133 26.125 832 HA3 GLY 98 HA3 GLY 98 5.634 23.981 24.613 833 H ARG 99 H ARG 99 7.844 24.142 24.589 834 HA ARG 99 HA ARG 99 9.219 25.885 26.413 835 HB2 ARG 99 HB2 ARG 99 9.072 23.799 27.802 836 HB3 ARG 99 HB3 ARG 99 9.888 22.898 26.526 837 HG2 ARG 99 HG2 ARG 99 11.896 24.388 26.852 838 HG3 ARG 99 HG3 ARG 99 11.066 25.132 28.226 839 HD2 ARG 99 HD2 ARG 99 10.973 22.927 29.350 840 HD3 ARG 99 HD3 ARG 99 11.792 22.189 27.967 841 HE ARG 99 HE ARG 99 13.086 24.346 29.521 842 HH11 ARG 99 HH11 ARG 99 13.150 21.022 28.369 843 HH12 ARG 99 HH12 ARG 99 14.766 20.740 28.927 844 HH21 ARG 99 HH21 ARG 99 15.217 23.941 30.238 845 HH22 ARG 99 HH22 ARG 99 15.926 22.379 29.974 846 H ARG 100 H ARG 100 10.904 26.790 25.318 847 HA ARG 100 HA ARG 100 12.775 25.271 23.765 848 HB2 ARG 100 HB2 ARG 100 12.532 26.374 21.596 849 HB3 ARG 100 HB3 ARG 100 11.007 25.599 22.006 850 HG2 ARG 100 HG2 ARG 100 9.993 27.719 22.567 851 HG3 ARG 100 HG3 ARG 100 11.539 28.556 22.444 852 HD2 ARG 100 HD2 ARG 100 10.193 29.028 20.473 853 HD3 ARG 100 HD3 ARG 100 11.599 28.066 20.018 854 HE ARG 100 HE ARG 100 10.139 26.116 19.892 855 HH11 ARG 100 HH11 ARG 100 8.504 29.219 19.970 856 HH12 ARG 100 HH12 ARG 100 7.122 28.645 19.103 857 HH21 ARG 100 HH21 ARG 100 8.336 25.366 18.735 858 HH22 ARG 100 HH22 ARG 100 7.033 26.449 18.377 859 H ARG 101 H ARG 101 14.722 26.408 23.478 860 HA ARG 101 HA ARG 101 15.113 29.146 23.289 861 HB2 ARG 101 HB2 ARG 101 14.400 29.265 25.670 862 HB3 ARG 101 HB3 ARG 101 15.675 28.141 26.119 863 HG2 ARG 101 HG2 ARG 101 17.384 29.755 25.679 864 HG3 ARG 101 HG3 ARG 101 16.257 30.826 24.842 865 HD2 ARG 101 HD2 ARG 101 16.164 30.155 27.807 866 HD3 ARG 101 HD3 ARG 101 16.814 31.652 27.118 867 HE ARG 101 HE ARG 101 13.976 30.802 26.845 868 HH11 ARG 101 HH11 ARG 101 16.316 33.362 27.452 869 HH12 ARG 101 HH12 ARG 101 15.108 34.605 27.499 870 HH21 ARG 101 HH21 ARG 101 12.430 32.441 26.878 871 HH22 ARG 101 HH22 ARG 101 12.915 34.085 27.151 872 H GLU 102 H GLU 102 16.309 27.989 21.637 873 HA GLU 102 HA GLU 102 19.101 27.910 22.141 874 HB2 GLU 102 HB2 GLU 102 18.567 25.665 23.078 875 HB3 GLU 102 HB3 GLU 102 17.805 25.203 21.560 876 HG2 GLU 102 HG2 GLU 102 20.018 25.478 20.420 877 HG3 GLU 102 HG3 GLU 102 20.751 25.824 21.989 878 H SER 103 H SER 103 20.032 28.567 20.327 879 HA SER 103 HA SER 103 20.498 29.150 18.219 880 HB2 SER 103 HB2 SER 103 20.768 26.692 17.944 881 HB3 SER 103 HB3 SER 103 19.084 26.565 17.444 882 HG SER 103 HG SER 103 21.263 27.747 16.102 883 H LYS 104 H LYS 104 19.341 31.038 17.974 884 HA LYS 104 HA LYS 104 16.598 31.104 17.095 885 HB2 LYS 104 HB2 LYS 104 18.725 33.283 17.043 886 HB3 LYS 104 HB3 LYS 104 17.009 33.532 16.749 887 HG2 LYS 104 HG2 LYS 104 17.983 32.377 19.369 888 HG3 LYS 104 HG3 LYS 104 18.017 34.108 19.072 889 HD2 LYS 104 HD2 LYS 104 16.023 33.719 20.282 890 HD3 LYS 104 HD3 LYS 104 15.508 33.985 18.623 891 HE2 LYS 104 HE2 LYS 104 15.897 31.153 19.568 892 HE3 LYS 104 HE3 LYS 104 14.476 32.036 20.118 893 HZ1 LYS 104 HZ1 LYS 104 13.897 32.433 17.792 894 HZ2 LYS 104 HZ2 LYS 104 13.967 30.787 18.160 895 HZ3 LYS 104 HZ3 LYS 104 15.217 31.512 17.292 896 H LYS 105 H LYS 105 16.342 29.969 15.301 897 HA LYS 105 HA LYS 105 17.816 30.617 12.821 898 HB2 LYS 105 HB2 LYS 105 18.757 28.544 13.967 899 HB3 LYS 105 HB3 LYS 105 17.168 27.799 13.835 900 HG2 LYS 105 HG2 LYS 105 17.375 28.041 11.312 901 HG3 LYS 105 HG3 LYS 105 19.049 28.550 11.568 902 HD2 LYS 105 HD2 LYS 105 17.829 25.868 12.347 903 HD3 LYS 105 HD3 LYS 105 18.945 26.153 11.010 904 HE2 LYS 105 HE2 LYS 105 20.719 26.766 12.614 905 HE3 LYS 105 HE3 LYS 105 19.600 26.532 13.958 906 HZ1 LYS 105 HZ1 LYS 105 20.988 24.621 13.702 907 HZ2 LYS 105 HZ2 LYS 105 20.554 24.441 12.080 908 HZ3 LYS 105 HZ3 LYS 105 19.404 24.200 13.296 909 H LYS 106 H LYS 106 16.590 30.156 10.914 910 HA LYS 106 HA LYS 106 13.736 30.347 11.091 911 HB2 LYS 106 HB2 LYS 106 13.735 30.540 8.728 912 HB3 LYS 106 HB3 LYS 106 15.239 31.306 9.218 913 HG2 LYS 106 HG2 LYS 106 15.060 28.447 8.199 914 HG3 LYS 106 HG3 LYS 106 15.356 29.833 7.159 915 HD2 LYS 106 HD2 LYS 106 17.164 29.054 9.477 916 HD3 LYS 106 HD3 LYS 106 17.404 28.514 7.811 917 HE2 LYS 106 HE2 LYS 106 17.457 31.381 8.803 918 HE3 LYS 106 HE3 LYS 106 18.840 30.427 8.269 919 HZ1 LYS 106 HZ1 LYS 106 17.783 30.306 6.051 920 HZ2 LYS 106 HZ2 LYS 106 18.173 31.884 6.512 921 HZ3 LYS 106 HZ3 LYS 106 16.569 31.355 6.588 922 H LYS 107 H LYS 107 12.481 28.766 9.516 923 HA LYS 107 HA LYS 107 13.394 25.977 9.666 924 HB2 LYS 107 HB2 LYS 107 11.795 26.329 11.545 925 HB3 LYS 107 HB3 LYS 107 10.608 26.957 10.425 926 HG2 LYS 107 HG2 LYS 107 9.870 24.780 10.928 927 HG3 LYS 107 HG3 LYS 107 10.597 24.629 9.329 928 HD2 LYS 107 HD2 LYS 107 12.230 24.015 11.808 929 HD3 LYS 107 HD3 LYS 107 11.082 22.821 11.208 930 HE2 LYS 107 HE2 LYS 107 12.271 22.719 9.065 931 HE3 LYS 107 HE3 LYS 107 13.371 23.994 9.591 932 HZ1 LYS 107 HZ1 LYS 107 14.218 22.564 11.292 933 HZ2 LYS 107 HZ2 LYS 107 14.321 21.772 9.800 934 HZ3 LYS 107 HZ3 LYS 107 13.108 21.347 10.898 935 H LEU 108 H LEU 108 12.947 24.866 7.823 936 HA LEU 108 HA LEU 108 11.875 26.254 5.528 937 HB2 LEU 108 HB2 LEU 108 13.757 24.425 5.533 938 HB3 LEU 108 HB3 LEU 108 12.458 23.265 5.641 939 HG LEU 108 HG LEU 108 13.275 23.450 3.334 940 HD11 LEU 108 HD11 LEU 108 10.909 22.911 3.582 941 HD12 LEU 108 HD12 LEU 108 11.222 23.813 2.100 942 HD13 LEU 108 HD13 LEU 108 10.495 24.628 3.492 943 HD21 LEU 108 HD21 LEU 108 14.130 25.731 3.401 944 HD22 LEU 108 HD22 LEU 108 12.484 26.371 3.423 945 HD23 LEU 108 HD23 LEU 108 13.073 25.490 2.010 946 H TRP 109 H TRP 109 9.760 26.736 6.045 947 HA TRP 109 HA TRP 109 7.827 24.645 6.636 948 HB2 TRP 109 HB2 TRP 109 7.460 27.593 5.960 949 HB3 TRP 109 HB3 TRP 109 6.153 26.498 6.374 950 HD1 TRP 109 HD1 TRP 109 9.439 27.717 8.036 951 HE1 TRP 109 HE1 TRP 109 8.996 28.109 10.523 952 HE3 TRP 109 HE3 TRP 109 4.544 26.262 8.215 953 HZ2 TRP 109 HZ2 TRP 109 6.861 27.872 12.340 954 HZ3 TRP 109 HZ3 TRP 109 3.357 26.399 10.374 955 HH2 TRP 109 HH2 TRP 109 4.494 27.199 12.400 956 H MET 110 H MET 110 6.066 24.199 5.188 957 HA MET 110 HA MET 110 6.533 24.637 2.321 958 HB2 MET 110 HB2 MET 110 5.931 22.131 2.004 959 HB3 MET 110 HB3 MET 110 7.552 22.504 2.568 960 HG2 MET 110 HG2 MET 110 6.967 21.907 4.839 961 HG3 MET 110 HG3 MET 110 5.281 21.665 4.382 962 HE1 MET 110 HE1 MET 110 5.308 20.026 1.719 963 HE2 MET 110 HE2 MET 110 4.360 19.595 3.148 964 HE3 MET 110 HE3 MET 110 5.357 18.376 2.349 965 H ALA 111 H ALA 111 4.707 25.105 1.293 966 HA ALA 111 HA ALA 111 2.174 25.042 2.801 967 HB1 ALA 111 HB1 ALA 111 1.494 26.889 1.310 968 HB2 ALA 111 HB2 ALA 111 3.048 26.799 0.483 969 HB3 ALA 111 HB3 ALA 111 2.978 27.270 2.180 970 H ILE 112 H ILE 112 1.254 23.139 2.289 971 HA ILE 112 HA ILE 112 1.338 21.988 -0.379 972 HB ILE 112 HB ILE 112 -0.351 21.040 1.982 973 HG12 ILE 112 HG12 ILE 112 2.509 20.152 1.379 974 HG13 ILE 112 HG13 ILE 112 2.056 21.246 2.684 975 HG21 ILE 112 HG21 ILE 112 -0.236 18.831 0.892 976 HG22 ILE 112 HG22 ILE 112 0.740 19.516 -0.409 977 HG23 ILE 112 HG23 ILE 112 -0.931 20.042 -0.191 978 HD11 ILE 112 HD11 ILE 112 1.196 18.358 2.414 979 HD12 ILE 112 HD12 ILE 112 0.725 19.458 3.716 980 HD13 ILE 112 HD13 ILE 112 2.415 19.001 3.517 981 H GLU 113 H GLU 113 -0.081 22.727 -1.936 982 HA GLU 113 HA GLU 113 -2.337 24.388 -1.131 983 HB2 GLU 113 HB2 GLU 113 -0.974 25.123 -3.027 984 HB3 GLU 113 HB3 GLU 113 -1.305 23.625 -3.889 985 HG2 GLU 113 HG2 GLU 113 -3.640 24.225 -4.162 986 HG3 GLU 113 HG3 GLU 113 -3.444 25.646 -3.135 987 H LEU 114 H LEU 114 -4.005 23.231 -0.314 988 HA LEU 114 HA LEU 114 -4.871 20.714 -1.487 989 HB2 LEU 114 HB2 LEU 114 -5.522 22.246 1.023 990 HB3 LEU 114 HB3 LEU 114 -6.725 21.115 0.434 991 HG LEU 114 HG LEU 114 -5.375 20.005 2.104 992 HD11 LEU 114 HD11 LEU 114 -6.141 18.629 0.298 993 HD12 LEU 114 HD12 LEU 114 -4.543 18.101 0.787 994 HD13 LEU 114 HD13 LEU 114 -4.737 19.032 -0.694 995 HD21 LEU 114 HD21 LEU 114 -2.962 19.619 1.851 996 HD22 LEU 114 HD22 LEU 114 -3.331 21.340 2.001 997 HD23 LEU 114 HD23 LEU 114 -2.940 20.657 0.420 998 H GLU 115 H GLU 115 -5.987 20.881 -3.339 999 HA GLU 115 HA GLU 115 -8.236 22.811 -3.523 1000 HB2 GLU 115 HB2 GLU 115 -8.139 22.607 -5.878 1001 HB3 GLU 115 HB3 GLU 115 -6.464 22.763 -5.374 1002 HG2 GLU 115 HG2 GLU 115 -5.906 20.611 -6.028 1003 HG3 GLU 115 HG3 GLU 115 -7.517 19.974 -5.715 1004 H ASP 116 H ASP 116 -10.181 21.874 -4.704 1005 HA ASP 116 HA ASP 116 -11.799 20.361 -5.189 1006 HB2 ASP 116 HB2 ASP 116 -9.847 19.411 -6.531 1007 HB3 ASP 116 HB3 ASP 116 -9.525 18.308 -5.195 1008 H VAL 117 H VAL 117 -11.472 21.002 -2.480 1009 HA VAL 117 HA VAL 117 -11.173 18.715 -0.815 1010 HB VAL 117 HB VAL 117 -12.359 21.392 0.028 1011 HG11 VAL 117 HG11 VAL 117 -11.577 20.749 2.278 1012 HG12 VAL 117 HG12 VAL 117 -10.979 19.213 1.646 1013 HG13 VAL 117 HG13 VAL 117 -12.711 19.555 1.644 1014 HG21 VAL 117 HG21 VAL 117 -10.066 22.026 0.739 1015 HG22 VAL 117 HG22 VAL 117 -10.152 21.786 -1.008 1016 HG23 VAL 117 HG23 VAL 117 -9.429 20.545 0.017 1017 H LYS 118 H LYS 118 -12.587 17.151 -0.977 1018 HA LYS 118 HA LYS 118 -15.439 17.509 -1.330 1019 HB2 LYS 118 HB2 LYS 118 -13.589 15.496 -2.028 1020 HB3 LYS 118 HB3 LYS 118 -14.491 14.753 -0.724 1021 HG2 LYS 118 HG2 LYS 118 -15.494 14.139 -2.827 1022 HG3 LYS 118 HG3 LYS 118 -16.605 15.207 -1.963 1023 HD2 LYS 118 HD2 LYS 118 -16.502 15.783 -4.358 1024 HD3 LYS 118 HD3 LYS 118 -15.894 17.109 -3.363 1025 HE2 LYS 118 HE2 LYS 118 -13.558 16.343 -3.848 1026 HE3 LYS 118 HE3 LYS 118 -14.209 15.105 -4.925 1027 HZ1 LYS 118 HZ1 LYS 118 -15.167 16.867 -6.276 1028 HZ2 LYS 118 HZ2 LYS 118 -13.495 17.035 -6.136 1029 HZ3 LYS 118 HZ3 LYS 118 -14.516 18.043 -5.245 1030 H LYS 119 H LYS 119 -17.004 16.688 0.099 1031 HA LYS 119 HA LYS 119 -16.225 16.432 2.939 1032 HB2 LYS 119 HB2 LYS 119 -18.544 17.753 1.566 1033 HB3 LYS 119 HB3 LYS 119 -18.944 16.890 3.040 1034 HG2 LYS 119 HG2 LYS 119 -16.806 19.037 2.866 1035 HG3 LYS 119 HG3 LYS 119 -18.465 19.339 3.362 1036 HD2 LYS 119 HD2 LYS 119 -16.405 17.604 4.787 1037 HD3 LYS 119 HD3 LYS 119 -17.078 19.135 5.346 1038 HE2 LYS 119 HE2 LYS 119 -19.321 18.014 5.491 1039 HE3 LYS 119 HE3 LYS 119 -18.539 16.494 5.078 1040 HZ1 LYS 119 HZ1 LYS 119 -18.865 16.788 7.467 1041 HZ2 LYS 119 HZ2 LYS 119 -17.846 18.138 7.437 1042 HZ3 LYS 119 HZ3 LYS 119 -17.237 16.607 7.048 1043 H TYR 120 H TYR 120 -16.654 14.581 3.973 1044 HA TYR 120 HA TYR 120 -18.202 12.444 2.704 1045 HB2 TYR 120 HB2 TYR 120 -16.589 12.495 5.280 1046 HB3 TYR 120 HB3 TYR 120 -17.497 11.094 4.711 1047 HD1 TYR 120 HD1 TYR 120 -16.713 11.479 1.672 1048 HD2 TYR 120 HD2 TYR 120 -14.457 11.422 5.287 1049 HE1 TYR 120 HE1 TYR 120 -14.733 10.681 0.441 1050 HE2 TYR 120 HE2 TYR 120 -12.492 10.628 4.069 1051 HH TYR 120 HH TYR 120 -12.242 10.676 0.733 1052 H ASP 121 H ASP 121 -20.184 13.510 2.760 1053 HA ASP 121 HA ASP 121 -21.632 14.182 5.126 1054 HB2 ASP 121 HB2 ASP 121 -22.685 13.330 2.382 1055 HB3 ASP 121 HB3 ASP 121 -23.610 14.168 3.626 1056 H LYS 122 H LYS 122 -21.003 11.261 3.332 1057 HA LYS 122 HA LYS 122 -22.738 9.511 4.853 1058 HB2 LYS 122 HB2 LYS 122 -21.542 7.694 3.599 1059 HB3 LYS 122 HB3 LYS 122 -22.209 8.925 2.537 1060 HG2 LYS 122 HG2 LYS 122 -19.930 9.942 2.345 1061 HG3 LYS 122 HG3 LYS 122 -19.292 8.631 3.333 1062 HD2 LYS 122 HD2 LYS 122 -18.805 8.038 1.077 1063 HD3 LYS 122 HD3 LYS 122 -20.159 7.016 1.555 1064 HE2 LYS 122 HE2 LYS 122 -20.433 9.578 -0.063 1065 HE3 LYS 122 HE3 LYS 122 -20.342 7.970 -0.771 1066 HZ1 LYS 122 HZ1 LYS 122 -22.602 8.684 -0.649 1067 HZ2 LYS 122 HZ2 LYS 122 -22.488 9.003 1.003 1068 HZ3 LYS 122 HZ3 LYS 122 -22.391 7.410 0.444 1069 HA PRO 123 HA PRO 123 -19.719 9.029 8.212 1070 HB2 PRO 123 HB2 PRO 123 -20.909 7.006 9.598 1071 HB3 PRO 123 HB3 PRO 123 -21.594 8.637 9.544 1072 HG2 PRO 123 HG2 PRO 123 -22.381 6.199 7.959 1073 HG3 PRO 123 HG3 PRO 123 -23.423 7.398 8.753 1074 HD2 PRO 123 HD2 PRO 123 -22.841 7.435 6.053 1075 HD3 PRO 123 HD3 PRO 123 -23.262 8.891 6.983 1076 H ILE 124 H ILE 124 -17.900 8.351 7.026 1077 HA ILE 124 HA ILE 124 -17.551 5.539 6.312 1078 HB ILE 124 HB ILE 124 -15.604 7.875 6.020 1079 HG12 ILE 124 HG12 ILE 124 -17.482 6.535 4.025 1080 HG13 ILE 124 HG13 ILE 124 -17.536 8.207 4.570 1081 HG21 ILE 124 HG21 ILE 124 -14.268 6.388 4.559 1082 HG22 ILE 124 HG22 ILE 124 -15.369 5.053 4.898 1083 HG23 ILE 124 HG23 ILE 124 -14.383 5.732 6.194 1084 HD11 ILE 124 HD11 ILE 124 -15.414 6.947 2.832 1085 HD12 ILE 124 HD12 ILE 124 -15.403 8.617 3.409 1086 HD13 ILE 124 HD13 ILE 124 -16.682 8.065 2.329 1087 H LYS 125 H LYS 125 -16.565 4.091 7.530 1088 HA LYS 125 HA LYS 125 -15.579 4.767 10.182 1089 HB2 LYS 125 HB2 LYS 125 -16.167 2.119 8.787 1090 HB3 LYS 125 HB3 LYS 125 -15.380 2.189 10.357 1091 HG2 LYS 125 HG2 LYS 125 -17.713 1.738 10.711 1092 HG3 LYS 125 HG3 LYS 125 -17.374 3.370 11.282 1093 HD2 LYS 125 HD2 LYS 125 -19.512 3.331 10.109 1094 HD3 LYS 125 HD3 LYS 125 -18.353 4.292 9.191 1095 HE2 LYS 125 HE2 LYS 125 -17.976 2.344 7.685 1096 HE3 LYS 125 HE3 LYS 125 -19.189 1.430 8.582 1097 HZ1 LYS 125 HZ1 LYS 125 -20.084 2.408 6.566 1098 HZ2 LYS 125 HZ2 LYS 125 -19.682 3.958 7.105 1099 HZ3 LYS 125 HZ3 LYS 125 -20.842 3.049 7.929 1100 HA PRO 126 HA PRO 126 -11.353 4.823 8.643 1101 HB2 PRO 126 HB2 PRO 126 -10.032 4.853 11.075 1102 HB3 PRO 126 HB3 PRO 126 -10.775 6.267 10.320 1103 HG2 PRO 126 HG2 PRO 126 -11.824 4.524 12.525 1104 HG3 PRO 126 HG3 PRO 126 -11.947 6.286 12.315 1105 HD2 PRO 126 HD2 PRO 126 -14.003 4.558 11.761 1106 HD3 PRO 126 HD3 PRO 126 -13.800 6.123 10.947 1107 H LYS 127 H LYS 127 -9.687 3.463 8.234 1108 HA LYS 127 HA LYS 127 -9.843 0.674 8.744 1109 HB2 LYS 127 HB2 LYS 127 -8.765 1.755 6.723 1110 HB3 LYS 127 HB3 LYS 127 -7.449 2.303 7.744 1111 HG2 LYS 127 HG2 LYS 127 -8.108 -0.645 7.413 1112 HG3 LYS 127 HG3 LYS 127 -7.078 0.210 6.262 1113 HD2 LYS 127 HD2 LYS 127 -5.491 0.759 8.089 1114 HD3 LYS 127 HD3 LYS 127 -6.526 -0.074 9.248 1115 HE2 LYS 127 HE2 LYS 127 -6.171 -2.192 7.958 1116 HE3 LYS 127 HE3 LYS 127 -5.024 -1.330 6.931 1117 HZ1 LYS 127 HZ1 LYS 127 -3.880 -2.530 8.660 1118 HZ2 LYS 127 HZ2 LYS 127 -4.780 -1.751 9.864 1119 HZ3 LYS 127 HZ3 LYS 127 -3.691 -0.872 8.914 1120 H ARG 128 H ARG 128 -8.126 3.368 10.209 1121 HA ARG 128 HA ARG 128 -7.440 1.856 12.596 1122 HB2 ARG 128 HB2 ARG 128 -5.035 2.303 12.467 1123 HB3 ARG 128 HB3 ARG 128 -5.537 1.354 11.073 1124 HG2 ARG 128 HG2 ARG 128 -5.307 3.209 9.581 1125 HG3 ARG 128 HG3 ARG 128 -5.217 4.378 10.906 1126 HD2 ARG 128 HD2 ARG 128 -3.122 2.256 10.324 1127 HD3 ARG 128 HD3 ARG 128 -3.008 3.959 9.863 1128 HE ARG 128 HE ARG 128 -3.039 4.537 12.228 1129 HH11 ARG 128 HH11 ARG 128 -2.232 1.204 11.505 1130 HH12 ARG 128 HH12 ARG 128 -1.449 0.944 13.029 1131 HH21 ARG 128 HH21 ARG 128 -2.080 4.172 14.239 1132 HH22 ARG 128 HH22 ARG 128 -1.376 2.623 14.579 1133 H LEU 129 H LEU 129 -6.157 3.291 14.097 1134 HA LEU 129 HA LEU 129 -7.348 5.886 14.401 1135 HB2 LEU 129 HB2 LEU 129 -6.448 4.131 16.218 1136 HB3 LEU 129 HB3 LEU 129 -4.932 4.967 15.985 1137 HG LEU 129 HG LEU 129 -6.105 5.810 17.953 1138 HD11 LEU 129 HD11 LEU 129 -6.100 7.932 15.805 1139 HD12 LEU 129 HD12 LEU 129 -4.720 7.427 16.781 1140 HD13 LEU 129 HD13 LEU 129 -6.102 8.203 17.552 1141 HD21 LEU 129 HD21 LEU 129 -8.272 6.943 17.817 1142 HD22 LEU 129 HD22 LEU 129 -8.395 5.270 17.272 1143 HD23 LEU 129 HD23 LEU 129 -8.367 6.580 16.089 1144 H VAL 130 H VAL 130 -6.658 7.577 13.240 1145 HA VAL 130 HA VAL 130 -3.858 7.782 12.343 1146 HB VAL 130 HB VAL 130 -6.265 9.491 11.574 1147 HG11 VAL 130 HG11 VAL 130 -4.842 10.411 9.761 1148 HG12 VAL 130 HG12 VAL 130 -3.456 9.520 10.396 1149 HG13 VAL 130 HG13 VAL 130 -4.200 10.796 11.361 1150 HG21 VAL 130 HG21 VAL 130 -6.188 8.326 9.384 1151 HG22 VAL 130 HG22 VAL 130 -6.513 7.208 10.708 1152 HG23 VAL 130 HG23 VAL 130 -4.902 7.276 9.987 1153 HA PRO 131 HA PRO 131 -3.575 10.315 16.203 1154 HB2 PRO 131 HB2 PRO 131 -0.825 10.424 16.265 1155 HB3 PRO 131 HB3 PRO 131 -1.741 9.012 16.811 1156 HG2 PRO 131 HG2 PRO 131 -0.452 9.498 14.115 1157 HG3 PRO 131 HG3 PRO 131 -0.326 8.067 15.168 1158 HD2 PRO 131 HD2 PRO 131 -2.031 8.072 13.097 1159 HD3 PRO 131 HD3 PRO 131 -2.507 7.329 14.647 1160 H VAL 132 H VAL 132 -2.168 12.354 16.699 1161 HA VAL 132 HA VAL 132 -3.011 14.427 15.001 1162 HB VAL 132 HB VAL 132 -0.877 14.547 17.184 1163 HG11 VAL 132 HG11 VAL 132 -2.490 16.827 15.958 1164 HG12 VAL 132 HG12 VAL 132 -0.760 16.550 15.750 1165 HG13 VAL 132 HG13 VAL 132 -1.398 16.973 17.338 1166 HG21 VAL 132 HG21 VAL 132 -2.720 15.276 18.685 1167 HG22 VAL 132 HG22 VAL 132 -3.023 13.665 18.034 1168 HG23 VAL 132 HG23 VAL 132 -3.880 15.058 17.371 1169 H GLY 133 H GLY 133 0.099 12.777 15.195 1170 HA2 GLY 133 HA2 GLY 133 1.590 14.427 13.406 1171 HA3 GLY 133 HA3 GLY 133 1.981 12.782 13.884 1172 H GLY 134 H GLY 134 -0.870 12.118 12.849 1173 HA2 GLY 134 HA2 GLY 134 -2.032 11.729 10.902 1174 HA3 GLY 134 HA3 GLY 134 -0.778 12.541 9.982 1175 H GLN 135 H GLN 135 -1.737 10.396 8.811 1176 HA GLN 135 HA GLN 135 0.431 8.366 9.045 1177 HB2 GLN 135 HB2 GLN 135 -2.457 7.871 8.145 1178 HB3 GLN 135 HB3 GLN 135 -1.171 6.674 8.109 1179 HG2 GLN 135 HG2 GLN 135 -2.235 7.961 10.627 1180 HG3 GLN 135 HG3 GLN 135 -2.804 6.422 9.985 1181 HE21 GLN 135 HE21 GLN 135 -0.322 8.047 11.717 1182 HE22 GLN 135 HE22 GLN 135 0.602 6.658 12.155 1183 H TYR 136 H TYR 136 1.569 8.111 7.150 1184 HA TYR 136 HA TYR 136 0.828 9.449 4.709 1185 HB2 TYR 136 HB2 TYR 136 3.116 7.756 5.580 1186 HB3 TYR 136 HB3 TYR 136 2.677 7.515 3.898 1187 HD1 TYR 136 HD1 TYR 136 1.952 10.154 2.918 1188 HD2 TYR 136 HD2 TYR 136 5.085 9.097 5.636 1189 HE1 TYR 136 HE1 TYR 136 3.220 12.140 2.227 1190 HE2 TYR 136 HE2 TYR 136 6.354 11.089 4.935 1191 HH TYR 136 HH TYR 136 4.994 13.601 3.065 1192 H LEU 137 H LEU 137 -0.961 8.822 3.658 1193 HA LEU 137 HA LEU 137 -2.100 6.188 3.918 1194 HB2 LEU 137 HB2 LEU 137 -3.247 8.597 3.510 1195 HB3 LEU 137 HB3 LEU 137 -3.086 8.136 1.832 1196 HG LEU 137 HG LEU 137 -4.794 6.847 3.989 1197 HD11 LEU 137 HD11 LEU 137 -6.634 7.243 2.408 1198 HD12 LEU 137 HD12 LEU 137 -5.498 7.962 1.260 1199 HD13 LEU 137 HD13 LEU 137 -5.784 8.733 2.823 1200 HD21 LEU 137 HD21 LEU 137 -4.226 5.596 1.277 1201 HD22 LEU 137 HD22 LEU 137 -5.462 5.061 2.418 1202 HD23 LEU 137 HD23 LEU 137 -3.760 4.948 2.850 1203 H ARG 138 H ARG 138 -1.643 4.491 2.644 1204 HA ARG 138 HA ARG 138 -0.687 4.913 -0.098 1205 HB2 ARG 138 HB2 ARG 138 1.064 3.251 0.117 1206 HB3 ARG 138 HB3 ARG 138 1.329 4.546 1.255 1207 HG2 ARG 138 HG2 ARG 138 0.205 1.825 1.993 1208 HG3 ARG 138 HG3 ARG 138 1.914 2.264 2.091 1209 HD2 ARG 138 HD2 ARG 138 1.090 4.233 3.610 1210 HD3 ARG 138 HD3 ARG 138 -0.385 3.278 3.774 1211 HE ARG 138 HE ARG 138 1.186 1.439 4.573 1212 HH11 ARG 138 HH11 ARG 138 1.808 4.856 5.168 1213 HH12 ARG 138 HH12 ARG 138 2.803 4.553 6.554 1214 HH21 ARG 138 HH21 ARG 138 2.486 1.078 6.419 1215 HH22 ARG 138 HH22 ARG 138 3.188 2.422 7.260 1216 H GLU 139 H GLU 139 -1.871 3.795 -1.517 1217 HA GLU 139 HA GLU 139 -3.522 1.542 -0.463 1218 HB2 GLU 139 HB2 GLU 139 -4.826 3.673 -0.781 1219 HB3 GLU 139 HB3 GLU 139 -4.396 3.654 -2.481 1220 HG2 GLU 139 HG2 GLU 139 -6.679 2.857 -2.128 1221 HG3 GLU 139 HG3 GLU 139 -5.654 1.596 -2.822 Start of MODEL 19 1 H MET 1 H MET 1 0.069 -0.735 -0.763 2 HA MET 1 HA MET 1 2.378 -0.834 -1.380 3 HB2 MET 1 HB2 MET 1 0.498 -1.412 -2.962 4 HB3 MET 1 HB3 MET 1 0.620 0.200 -3.641 5 HG2 MET 1 HG2 MET 1 2.847 -0.282 -4.487 6 HG3 MET 1 HG3 MET 1 2.844 -1.857 -3.694 7 HE1 MET 1 HE1 MET 1 -0.131 -2.926 -4.282 8 HE2 MET 1 HE2 MET 1 1.326 -3.907 -4.466 9 HE3 MET 1 HE3 MET 1 0.148 -3.816 -5.777 10 H SER 2 H SER 2 4.091 0.237 -2.809 11 HA SER 2 HA SER 2 4.888 2.667 -1.617 12 HB2 SER 2 HB2 SER 2 6.059 1.248 -4.040 13 HB3 SER 2 HB3 SER 2 6.883 2.471 -3.068 14 HG SER 2 HG SER 2 7.032 1.086 -1.410 15 H LYS 3 H LYS 3 2.856 2.251 -4.328 16 HA LYS 3 HA LYS 3 3.373 4.630 -5.789 17 HB2 LYS 3 HB2 LYS 3 1.052 4.399 -6.644 18 HB3 LYS 3 HB3 LYS 3 1.940 2.887 -6.740 19 HG2 LYS 3 HG2 LYS 3 0.697 1.879 -5.008 20 HG3 LYS 3 HG3 LYS 3 0.118 3.425 -4.378 21 HD2 LYS 3 HD2 LYS 3 -0.689 2.312 -7.095 22 HD3 LYS 3 HD3 LYS 3 -1.607 2.028 -5.615 23 HE2 LYS 3 HE2 LYS 3 -1.970 4.462 -5.363 24 HE3 LYS 3 HE3 LYS 3 -1.023 4.761 -6.822 25 HZ1 LYS 3 HZ1 LYS 3 -3.504 3.139 -6.782 26 HZ2 LYS 3 HZ2 LYS 3 -2.663 3.705 -8.141 27 HZ3 LYS 3 HZ3 LYS 3 -3.466 4.791 -7.129 28 H ILE 4 H ILE 4 1.943 4.093 -2.704 29 HA ILE 4 HA ILE 4 0.915 5.299 -1.122 30 HB ILE 4 HB ILE 4 1.912 7.805 -2.570 31 HG12 ILE 4 HG12 ILE 4 3.801 6.269 -2.299 32 HG13 ILE 4 HG13 ILE 4 3.989 7.596 -1.163 33 HG21 ILE 4 HG21 ILE 4 0.436 8.455 -0.741 34 HG22 ILE 4 HG22 ILE 4 2.095 8.798 -0.254 35 HG23 ILE 4 HG23 ILE 4 1.263 7.372 0.379 36 HD11 ILE 4 HD11 ILE 4 4.621 5.515 -0.141 37 HD12 ILE 4 HD12 ILE 4 3.064 4.790 -0.536 38 HD13 ILE 4 HD13 ILE 4 3.151 6.105 0.639 39 H VAL 5 H VAL 5 -0.887 7.406 -1.070 40 HA VAL 5 HA VAL 5 -1.997 7.962 -3.699 41 HB VAL 5 HB VAL 5 -4.423 7.958 -2.745 42 HG11 VAL 5 HG11 VAL 5 -3.179 5.264 -3.391 43 HG12 VAL 5 HG12 VAL 5 -3.737 6.462 -4.563 44 HG13 VAL 5 HG13 VAL 5 -4.898 5.678 -3.490 45 HG21 VAL 5 HG21 VAL 5 -3.888 7.508 -0.388 46 HG22 VAL 5 HG22 VAL 5 -3.257 5.918 -0.823 47 HG23 VAL 5 HG23 VAL 5 -4.973 6.273 -1.039 48 H GLY 6 H GLY 6 -2.088 8.555 -0.200 49 HA2 GLY 6 HA2 GLY 6 -1.419 11.313 -0.527 50 HA3 GLY 6 HA3 GLY 6 -3.105 11.087 -0.062 51 H VAL 7 H VAL 7 -2.415 12.348 1.805 52 HA VAL 7 HA VAL 7 -1.525 10.550 3.983 53 HB VAL 7 HB VAL 7 0.240 12.238 3.576 54 HG11 VAL 7 HG11 VAL 7 -1.858 14.351 4.178 55 HG12 VAL 7 HG12 VAL 7 -1.089 14.055 2.616 56 HG13 VAL 7 HG13 VAL 7 -0.128 14.645 3.972 57 HG21 VAL 7 HG21 VAL 7 -0.074 11.415 5.880 58 HG22 VAL 7 HG22 VAL 7 -1.212 12.723 6.211 59 HG23 VAL 7 HG23 VAL 7 0.483 13.092 5.889 60 H THR 8 H THR 8 -2.872 10.437 5.705 61 HA THR 8 HA THR 8 -5.281 12.132 5.763 62 HB THR 8 HB THR 8 -5.904 9.817 5.646 63 HG1 THR 8 HG1 THR 8 -7.115 11.105 7.121 64 HG21 THR 8 HG21 THR 8 -4.137 9.267 8.059 65 HG22 THR 8 HG22 THR 8 -3.854 8.711 6.408 66 HG23 THR 8 HG23 THR 8 -5.243 8.109 7.315 67 H TYR 9 H TYR 9 -5.718 13.420 7.478 68 HA TYR 9 HA TYR 9 -3.883 13.501 9.779 69 HB2 TYR 9 HB2 TYR 9 -3.946 15.445 7.574 70 HB3 TYR 9 HB3 TYR 9 -4.322 16.237 9.087 71 HD1 TYR 9 HD1 TYR 9 -2.647 16.029 11.018 72 HD2 TYR 9 HD2 TYR 9 -1.678 14.940 6.999 73 HE1 TYR 9 HE1 TYR 9 -0.252 16.243 11.533 74 HE2 TYR 9 HE2 TYR 9 0.713 15.157 7.517 75 HH TYR 9 HH TYR 9 1.937 15.204 10.544 76 HA PRO 10 HA PRO 10 -7.853 14.732 11.695 77 HB2 PRO 10 HB2 PRO 10 -7.173 14.203 14.265 78 HB3 PRO 10 HB3 PRO 10 -7.650 12.920 13.147 79 HG2 PRO 10 HG2 PRO 10 -4.914 13.706 14.075 80 HG3 PRO 10 HG3 PRO 10 -5.567 12.089 13.753 81 HD2 PRO 10 HD2 PRO 10 -3.954 13.552 11.989 82 HD3 PRO 10 HD3 PRO 10 -5.002 12.200 11.518 83 H ILE 11 H ILE 11 -7.613 16.865 11.169 84 HA ILE 11 HA ILE 11 -5.468 18.546 11.819 85 HB ILE 11 HB ILE 11 -8.307 19.513 11.218 86 HG12 ILE 11 HG12 ILE 11 -7.645 17.878 9.477 87 HG13 ILE 11 HG13 ILE 11 -7.714 19.499 8.799 88 HG21 ILE 11 HG21 ILE 11 -5.629 20.880 10.742 89 HG22 ILE 11 HG22 ILE 11 -6.804 21.299 11.989 90 HG23 ILE 11 HG23 ILE 11 -7.211 21.528 10.288 91 HD11 ILE 11 HD11 ILE 11 -5.273 19.618 8.894 92 HD12 ILE 11 HD12 ILE 11 -5.841 18.256 7.931 93 HD13 ILE 11 HD13 ILE 11 -5.222 17.986 9.560 94 HA PRO 12 HA PRO 12 -6.762 19.017 16.194 95 HB2 PRO 12 HB2 PRO 12 -4.387 19.649 17.243 96 HB3 PRO 12 HB3 PRO 12 -4.632 18.043 16.533 97 HG2 PRO 12 HG2 PRO 12 -3.286 20.466 15.321 98 HG3 PRO 12 HG3 PRO 12 -2.745 18.775 15.322 99 HD2 PRO 12 HD2 PRO 12 -4.106 19.984 13.210 100 HD3 PRO 12 HD3 PRO 12 -4.056 18.231 13.501 101 H LYS 13 H LYS 13 -7.313 21.091 14.280 102 HA LYS 13 HA LYS 13 -6.908 23.582 15.762 103 HB2 LYS 13 HB2 LYS 13 -5.029 23.232 14.032 104 HB3 LYS 13 HB3 LYS 13 -6.262 23.295 12.782 105 HG2 LYS 13 HG2 LYS 13 -5.155 25.437 12.922 106 HG3 LYS 13 HG3 LYS 13 -6.824 25.617 13.481 107 HD2 LYS 13 HD2 LYS 13 -6.044 25.552 15.827 108 HD3 LYS 13 HD3 LYS 13 -4.379 25.338 15.280 109 HE2 LYS 13 HE2 LYS 13 -4.347 27.561 14.314 110 HE3 LYS 13 HE3 LYS 13 -6.079 27.761 14.593 111 HZ1 LYS 13 HZ1 LYS 13 -5.655 27.657 16.976 112 HZ2 LYS 13 HZ2 LYS 13 -4.826 28.935 16.244 113 HZ3 LYS 13 HZ3 LYS 13 -3.992 27.531 16.686 114 H ARG 14 H ARG 14 -8.612 25.055 15.369 115 HA ARG 14 HA ARG 14 -11.115 23.901 14.558 116 HB2 ARG 14 HB2 ARG 14 -10.398 26.717 15.461 117 HB3 ARG 14 HB3 ARG 14 -12.046 26.132 15.254 118 HG2 ARG 14 HG2 ARG 14 -10.013 25.078 17.261 119 HG3 ARG 14 HG3 ARG 14 -11.392 26.122 17.622 120 HD2 ARG 14 HD2 ARG 14 -12.934 24.348 16.896 121 HD3 ARG 14 HD3 ARG 14 -11.571 23.299 16.508 122 HE ARG 14 HE ARG 14 -11.015 23.493 18.977 123 HH11 ARG 14 HH11 ARG 14 -14.357 23.730 17.858 124 HH12 ARG 14 HH12 ARG 14 -15.005 23.022 19.299 125 HH21 ARG 14 HH21 ARG 14 -11.891 22.561 20.835 126 HH22 ARG 14 HH22 ARG 14 -13.606 22.370 20.993 127 H PHE 15 H PHE 15 -8.827 24.803 12.552 128 HA PHE 15 HA PHE 15 -10.528 26.216 10.600 129 HB2 PHE 15 HB2 PHE 15 -7.501 26.122 10.941 130 HB3 PHE 15 HB3 PHE 15 -8.318 26.901 9.586 131 HD1 PHE 15 HD1 PHE 15 -9.799 28.895 10.003 132 HD2 PHE 15 HD2 PHE 15 -7.347 27.238 13.076 133 HE1 PHE 15 HE1 PHE 15 -10.040 30.956 11.315 134 HE2 PHE 15 HE2 PHE 15 -7.586 29.299 14.372 135 HZ PHE 15 HZ PHE 15 -8.937 31.162 13.499 136 H MET 16 H MET 16 -10.200 23.212 11.217 137 HA MET 16 HA MET 16 -9.407 21.890 8.838 138 HB2 MET 16 HB2 MET 16 -9.980 20.593 10.822 139 HB3 MET 16 HB3 MET 16 -11.596 21.276 10.869 140 HG2 MET 16 HG2 MET 16 -12.140 20.083 8.760 141 HG3 MET 16 HG3 MET 16 -10.535 19.354 8.778 142 HE1 MET 16 HE1 MET 16 -10.072 18.712 11.850 143 HE2 MET 16 HE2 MET 16 -9.740 17.584 10.535 144 HE3 MET 16 HE3 MET 16 -10.689 17.064 11.921 145 H ASP 17 H ASP 17 -12.246 23.678 9.770 146 HA ASP 17 HA ASP 17 -14.101 22.917 7.797 147 HB2 ASP 17 HB2 ASP 17 -13.949 25.532 9.347 148 HB3 ASP 17 HB3 ASP 17 -15.389 24.860 8.579 149 H ARG 18 H ARG 18 -11.406 25.095 7.640 150 HA ARG 18 HA ARG 18 -12.278 27.022 5.779 151 HB2 ARG 18 HB2 ARG 18 -9.473 25.947 6.277 152 HB3 ARG 18 HB3 ARG 18 -9.846 27.425 5.388 153 HG2 ARG 18 HG2 ARG 18 -10.401 26.902 8.320 154 HG3 ARG 18 HG3 ARG 18 -9.130 27.926 7.659 155 HD2 ARG 18 HD2 ARG 18 -10.743 29.489 8.263 156 HD3 ARG 18 HD3 ARG 18 -11.115 29.241 6.557 157 HE ARG 18 HE ARG 18 -12.686 27.456 8.017 158 HH11 ARG 18 HH11 ARG 18 -12.398 30.949 7.712 159 HH12 ARG 18 HH12 ARG 18 -14.067 31.234 8.088 160 HH21 ARG 18 HH21 ARG 18 -14.874 27.852 8.501 161 HH22 ARG 18 HH22 ARG 18 -15.464 29.478 8.548 162 H PHE 19 H PHE 19 -10.714 23.919 5.309 163 HA PHE 19 HA PHE 19 -10.307 24.046 2.507 164 HB2 PHE 19 HB2 PHE 19 -10.669 21.569 4.249 165 HB3 PHE 19 HB3 PHE 19 -9.918 21.605 2.656 166 HD1 PHE 19 HD1 PHE 19 -9.464 22.468 6.229 167 HD2 PHE 19 HD2 PHE 19 -7.636 22.377 2.369 168 HE1 PHE 19 HE1 PHE 19 -7.265 22.813 7.263 169 HE2 PHE 19 HE2 PHE 19 -5.441 22.732 3.409 170 HZ PHE 19 HZ PHE 19 -5.252 22.950 5.854 171 H PHE 20 H PHE 20 -13.057 23.143 4.482 172 HA PHE 20 HA PHE 20 -14.611 22.046 2.240 173 HB2 PHE 20 HB2 PHE 20 -15.309 22.345 5.199 174 HB3 PHE 20 HB3 PHE 20 -16.248 21.449 4.002 175 HD1 PHE 20 HD1 PHE 20 -15.091 19.478 2.810 176 HD2 PHE 20 HD2 PHE 20 -13.561 21.229 6.396 177 HE1 PHE 20 HE1 PHE 20 -13.738 17.473 3.214 178 HE2 PHE 20 HE2 PHE 20 -12.207 19.212 6.788 179 HZ PHE 20 HZ PHE 20 -12.298 17.334 5.200 180 H LYS 21 H LYS 21 -14.111 25.011 3.841 181 HA LYS 21 HA LYS 21 -16.677 26.248 3.496 182 HB2 LYS 21 HB2 LYS 21 -15.071 26.923 5.262 183 HB3 LYS 21 HB3 LYS 21 -13.916 27.436 4.047 184 HG2 LYS 21 HG2 LYS 21 -16.632 28.742 4.153 185 HG3 LYS 21 HG3 LYS 21 -15.416 29.184 5.350 186 HD2 LYS 21 HD2 LYS 21 -13.880 29.881 3.540 187 HD3 LYS 21 HD3 LYS 21 -15.078 29.421 2.326 188 HE2 LYS 21 HE2 LYS 21 -16.629 31.135 3.240 189 HE3 LYS 21 HE3 LYS 21 -15.397 31.602 4.420 190 HZ1 LYS 21 HZ1 LYS 21 -15.151 31.785 1.468 191 HZ2 LYS 21 HZ2 LYS 21 -13.938 32.194 2.569 192 HZ3 LYS 21 HZ3 LYS 21 -15.379 33.080 2.530 193 H LYS 22 H LYS 22 -13.553 26.392 1.782 194 HA LYS 22 HA LYS 22 -14.816 27.965 -0.401 195 HB2 LYS 22 HB2 LYS 22 -12.529 28.845 -0.836 196 HB3 LYS 22 HB3 LYS 22 -13.127 29.224 0.774 197 HG2 LYS 22 HG2 LYS 22 -11.778 27.123 1.533 198 HG3 LYS 22 HG3 LYS 22 -10.969 27.265 -0.026 199 HD2 LYS 22 HD2 LYS 22 -9.628 28.373 1.657 200 HD3 LYS 22 HD3 LYS 22 -10.297 29.607 0.582 201 HE2 LYS 22 HE2 LYS 22 -11.987 30.177 2.267 202 HE3 LYS 22 HE3 LYS 22 -11.430 28.865 3.310 203 HZ1 LYS 22 HZ1 LYS 22 -10.560 30.990 4.024 204 HZ2 LYS 22 HZ2 LYS 22 -9.834 31.241 2.517 205 HZ3 LYS 22 HZ3 LYS 22 -9.298 29.981 3.511 206 H GLY 23 H GLY 23 -13.396 24.914 0.285 207 HA2 GLY 23 HA2 GLY 23 -13.060 23.060 -1.032 208 HA3 GLY 23 HA3 GLY 23 -13.793 23.928 -2.373 209 H LYS 24 H LYS 24 -11.183 25.568 -0.995 210 HA LYS 24 HA LYS 24 -9.025 24.565 -2.611 211 HB2 LYS 24 HB2 LYS 24 -10.354 25.767 -4.348 212 HB3 LYS 24 HB3 LYS 24 -10.353 27.217 -3.355 213 HG2 LYS 24 HG2 LYS 24 -8.728 27.458 -5.137 214 HG3 LYS 24 HG3 LYS 24 -7.887 27.369 -3.587 215 HD2 LYS 24 HD2 LYS 24 -7.356 24.987 -4.014 216 HD3 LYS 24 HD3 LYS 24 -8.217 25.067 -5.553 217 HE2 LYS 24 HE2 LYS 24 -6.573 26.748 -6.358 218 HE3 LYS 24 HE3 LYS 24 -5.703 26.610 -4.825 219 HZ1 LYS 24 HZ1 LYS 24 -5.299 24.280 -5.310 220 HZ2 LYS 24 HZ2 LYS 24 -4.692 25.256 -6.550 221 HZ3 LYS 24 HZ3 LYS 24 -6.140 24.402 -6.772 222 H ASP 25 H ASP 25 -7.972 24.536 -0.623 223 HA ASP 25 HA ASP 25 -7.338 27.108 0.693 224 HB2 ASP 25 HB2 ASP 25 -9.316 25.879 1.790 225 HB3 ASP 25 HB3 ASP 25 -8.200 24.599 2.208 226 H VAL 26 H VAL 26 -5.587 26.262 2.651 227 HA VAL 26 HA VAL 26 -3.551 24.617 1.287 228 HB VAL 26 HB VAL 26 -3.119 27.502 2.201 229 HG11 VAL 26 HG11 VAL 26 -0.753 27.243 1.486 230 HG12 VAL 26 HG12 VAL 26 -1.032 25.520 1.217 231 HG13 VAL 26 HG13 VAL 26 -1.162 26.192 2.844 232 HG21 VAL 26 HG21 VAL 26 -4.147 27.379 -0.018 233 HG22 VAL 26 HG22 VAL 26 -2.885 26.276 -0.574 234 HG23 VAL 26 HG23 VAL 26 -2.481 27.944 -0.157 235 H PHE 27 H PHE 27 -2.792 23.211 2.719 236 HA PHE 27 HA PHE 27 -2.899 23.747 5.614 237 HB2 PHE 27 HB2 PHE 27 -3.864 21.588 4.725 238 HB3 PHE 27 HB3 PHE 27 -2.262 21.133 4.163 239 HD1 PHE 27 HD1 PHE 27 -4.079 22.158 7.278 240 HD2 PHE 27 HD2 PHE 27 -0.882 19.852 5.603 241 HE1 PHE 27 HE1 PHE 27 -3.641 21.163 9.481 242 HE2 PHE 27 HE2 PHE 27 -0.471 18.855 7.811 243 HZ PHE 27 HZ PHE 27 -1.840 19.504 9.750 244 H VAL 28 H VAL 28 -1.074 24.628 6.452 245 HA VAL 28 HA VAL 28 1.509 24.227 5.122 246 HB VAL 28 HB VAL 28 2.368 25.996 6.689 247 HG11 VAL 28 HG11 VAL 28 1.596 26.583 4.436 248 HG12 VAL 28 HG12 VAL 28 1.179 27.875 5.564 249 HG13 VAL 28 HG13 VAL 28 -0.066 26.748 5.015 250 HG21 VAL 28 HG21 VAL 28 0.763 27.354 7.999 251 HG22 VAL 28 HG22 VAL 28 0.784 25.684 8.564 252 HG23 VAL 28 HG23 VAL 28 -0.551 26.253 7.553 253 H LYS 29 H LYS 29 3.104 23.060 5.883 254 HA LYS 29 HA LYS 29 2.995 21.754 8.527 255 HB2 LYS 29 HB2 LYS 29 3.878 20.683 5.811 256 HB3 LYS 29 HB3 LYS 29 4.461 19.941 7.299 257 HG2 LYS 29 HG2 LYS 29 1.493 20.234 6.790 258 HG3 LYS 29 HG3 LYS 29 2.409 18.923 6.054 259 HD2 LYS 29 HD2 LYS 29 1.439 18.027 8.039 260 HD3 LYS 29 HD3 LYS 29 3.151 18.243 8.386 261 HE2 LYS 29 HE2 LYS 29 2.600 20.332 9.628 262 HE3 LYS 29 HE3 LYS 29 0.888 20.058 9.302 263 HZ1 LYS 29 HZ1 LYS 29 2.708 18.378 10.923 264 HZ2 LYS 29 HZ2 LYS 29 1.155 17.895 10.476 265 HZ3 LYS 29 HZ3 LYS 29 1.368 19.256 11.462 266 HA PRO 30 HA PRO 30 7.187 23.622 8.929 267 HB2 PRO 30 HB2 PRO 30 7.331 22.421 11.604 268 HB3 PRO 30 HB3 PRO 30 7.192 24.124 11.174 269 HG2 PRO 30 HG2 PRO 30 5.179 22.695 12.398 270 HG3 PRO 30 HG3 PRO 30 4.898 24.125 11.385 271 HD2 PRO 30 HD2 PRO 30 4.618 21.213 10.673 272 HD3 PRO 30 HD3 PRO 30 3.579 22.590 10.237 273 H ALA 31 H ALA 31 7.160 21.519 7.298 274 HA ALA 31 HA ALA 31 8.150 19.661 6.486 275 HB1 ALA 31 HB1 ALA 31 10.160 21.031 6.833 276 HB2 ALA 31 HB2 ALA 31 10.523 19.318 7.054 277 HB3 ALA 31 HB3 ALA 31 10.343 20.374 8.460 278 H THR 32 H THR 32 6.341 19.265 8.781 279 HA THR 32 HA THR 32 7.216 17.264 10.580 280 HB THR 32 HB THR 32 4.341 17.569 9.610 281 HG1 THR 32 HG1 THR 32 5.728 19.196 11.491 282 HG21 THR 32 HG21 THR 32 4.762 15.718 11.216 283 HG22 THR 32 HG22 THR 32 3.737 16.974 11.912 284 HG23 THR 32 HG23 THR 32 5.442 16.878 12.360 285 H VAL 33 H VAL 33 5.742 17.180 7.412 286 HA VAL 33 HA VAL 33 5.407 14.306 7.299 287 HB VAL 33 HB VAL 33 4.584 14.754 4.954 288 HG11 VAL 33 HG11 VAL 33 3.224 16.364 7.152 289 HG12 VAL 33 HG12 VAL 33 2.991 14.646 6.818 290 HG13 VAL 33 HG13 VAL 33 2.471 15.848 5.638 291 HG21 VAL 33 HG21 VAL 33 5.903 16.776 4.460 292 HG22 VAL 33 HG22 VAL 33 5.012 17.683 5.685 293 HG23 VAL 33 HG23 VAL 33 4.181 17.095 4.241 294 H TRP 34 H TRP 34 6.407 12.949 5.816 295 HA TRP 34 HA TRP 34 9.208 13.450 5.295 296 HB2 TRP 34 HB2 TRP 34 7.409 11.036 4.816 297 HB3 TRP 34 HB3 TRP 34 9.129 11.052 4.444 298 HD1 TRP 34 HD1 TRP 34 6.789 11.390 7.536 299 HE1 TRP 34 HE1 TRP 34 8.080 10.567 9.600 300 HE3 TRP 34 HE3 TRP 34 11.348 10.511 5.364 301 HZ2 TRP 34 HZ2 TRP 34 10.668 9.667 10.238 302 HZ3 TRP 34 HZ3 TRP 34 13.179 9.663 6.780 303 HH2 TRP 34 HH2 TRP 34 12.845 9.249 9.169 304 H LYS 35 H LYS 35 9.816 12.166 3.049 305 HA LYS 35 HA LYS 35 9.483 14.112 1.035 306 HB2 LYS 35 HB2 LYS 35 10.903 12.648 -0.316 307 HB3 LYS 35 HB3 LYS 35 11.495 12.669 1.344 308 HG2 LYS 35 HG2 LYS 35 10.233 10.488 1.712 309 HG3 LYS 35 HG3 LYS 35 9.922 10.459 -0.022 310 HD2 LYS 35 HD2 LYS 35 11.815 9.039 0.422 311 HD3 LYS 35 HD3 LYS 35 12.412 10.481 -0.404 312 HE2 LYS 35 HE2 LYS 35 13.187 11.405 1.733 313 HE3 LYS 35 HE3 LYS 35 12.511 10.019 2.599 314 HZ1 LYS 35 HZ1 LYS 35 14.031 8.583 1.416 315 HZ2 LYS 35 HZ2 LYS 35 14.877 9.780 2.256 316 HZ3 LYS 35 HZ3 LYS 35 14.679 9.903 0.577 317 H GLU 36 H GLU 36 7.508 11.368 1.807 318 HA GLU 36 HA GLU 36 6.539 10.537 -0.706 319 HB2 GLU 36 HB2 GLU 36 4.892 10.548 1.864 320 HB3 GLU 36 HB3 GLU 36 4.651 9.508 0.460 321 HG2 GLU 36 HG2 GLU 36 6.962 9.435 2.428 322 HG3 GLU 36 HG3 GLU 36 5.658 8.259 2.285 323 H LEU 37 H LEU 37 5.846 13.399 1.132 324 HA LEU 37 HA LEU 37 3.377 14.120 -0.055 325 HB2 LEU 37 HB2 LEU 37 5.086 15.236 1.940 326 HB3 LEU 37 HB3 LEU 37 4.948 16.473 0.712 327 HG LEU 37 HG LEU 37 3.275 16.879 2.397 328 HD11 LEU 37 HD11 LEU 37 1.857 15.743 -0.028 329 HD12 LEU 37 HD12 LEU 37 2.599 17.345 0.077 330 HD13 LEU 37 HD13 LEU 37 1.234 16.942 1.113 331 HD21 LEU 37 HD21 LEU 37 1.546 15.281 3.014 332 HD22 LEU 37 HD22 LEU 37 3.146 14.619 3.336 333 HD23 LEU 37 HD23 LEU 37 2.235 14.070 1.926 334 H LYS 38 H LYS 38 3.447 13.884 -2.255 335 HA LYS 38 HA LYS 38 5.193 15.699 -3.826 336 HB2 LYS 38 HB2 LYS 38 4.773 14.247 -5.747 337 HB3 LYS 38 HB3 LYS 38 5.366 13.267 -4.413 338 HG2 LYS 38 HG2 LYS 38 3.424 12.083 -4.222 339 HG3 LYS 38 HG3 LYS 38 2.403 13.465 -4.587 340 HD2 LYS 38 HD2 LYS 38 2.061 11.965 -6.359 341 HD3 LYS 38 HD3 LYS 38 3.120 13.201 -7.021 342 HE2 LYS 38 HE2 LYS 38 3.909 11.029 -7.753 343 HE3 LYS 38 HE3 LYS 38 5.071 11.684 -6.596 344 HZ1 LYS 38 HZ1 LYS 38 2.939 9.746 -5.882 345 HZ2 LYS 38 HZ2 LYS 38 4.214 10.271 -4.899 346 HZ3 LYS 38 HZ3 LYS 38 4.530 9.310 -6.257 347 HA PRO 39 HA PRO 39 1.391 17.915 -4.890 348 HB2 PRO 39 HB2 PRO 39 2.112 19.232 -7.130 349 HB3 PRO 39 HB3 PRO 39 2.890 19.592 -5.577 350 HG2 PRO 39 HG2 PRO 39 3.892 17.937 -7.883 351 HG3 PRO 39 HG3 PRO 39 4.785 19.065 -6.846 352 HD2 PRO 39 HD2 PRO 39 4.753 16.278 -6.533 353 HD3 PRO 39 HD3 PRO 39 5.204 17.441 -5.266 354 H GLY 40 H GLY 40 0.933 15.380 -5.382 355 HA2 GLY 40 HA2 GLY 40 -0.892 15.304 -7.579 356 HA3 GLY 40 HA3 GLY 40 0.553 14.347 -7.910 357 H MET 41 H MET 41 -1.135 14.952 -4.901 358 HA MET 41 HA MET 41 -1.924 12.121 -4.605 359 HB2 MET 41 HB2 MET 41 -0.489 13.876 -2.571 360 HB3 MET 41 HB3 MET 41 -1.415 12.473 -2.080 361 HG2 MET 41 HG2 MET 41 0.101 11.172 -3.748 362 HG3 MET 41 HG3 MET 41 1.154 12.577 -3.601 363 HE1 MET 41 HE1 MET 41 1.815 13.522 -1.022 364 HE2 MET 41 HE2 MET 41 1.622 12.517 0.416 365 HE3 MET 41 HE3 MET 41 0.204 13.207 -0.373 366 H LYS 42 H LYS 42 -3.281 12.080 -2.400 367 HA LYS 42 HA LYS 42 -5.296 14.234 -2.406 368 HB2 LYS 42 HB2 LYS 42 -6.747 12.476 -1.226 369 HB3 LYS 42 HB3 LYS 42 -6.508 12.302 -2.953 370 HG2 LYS 42 HG2 LYS 42 -4.939 10.489 -2.602 371 HG3 LYS 42 HG3 LYS 42 -4.973 10.751 -0.858 372 HD2 LYS 42 HD2 LYS 42 -6.378 8.797 -1.661 373 HD3 LYS 42 HD3 LYS 42 -7.250 9.995 -0.690 374 HE2 LYS 42 HE2 LYS 42 -8.092 11.024 -2.815 375 HE3 LYS 42 HE3 LYS 42 -7.331 9.720 -3.720 376 HZ1 LYS 42 HZ1 LYS 42 -8.747 8.208 -2.281 377 HZ2 LYS 42 HZ2 LYS 42 -9.568 9.123 -3.438 378 HZ3 LYS 42 HZ3 LYS 42 -9.595 9.592 -1.813 379 H PHE 43 H PHE 43 -6.304 14.611 -0.279 380 HA PHE 43 HA PHE 43 -4.600 14.000 2.058 381 HB2 PHE 43 HB2 PHE 43 -4.183 16.353 1.054 382 HB3 PHE 43 HB3 PHE 43 -5.794 16.766 1.606 383 HD1 PHE 43 HD1 PHE 43 -6.186 16.160 4.242 384 HD2 PHE 43 HD2 PHE 43 -2.405 16.963 2.414 385 HE1 PHE 43 HE1 PHE 43 -5.263 16.816 6.418 386 HE2 PHE 43 HE2 PHE 43 -1.495 17.619 4.598 387 HZ PHE 43 HZ PHE 43 -2.922 17.546 6.597 388 H VAL 44 H VAL 44 -6.004 12.678 3.078 389 HA VAL 44 HA VAL 44 -8.876 13.225 3.076 390 HB VAL 44 HB VAL 44 -7.388 10.827 4.222 391 HG11 VAL 44 HG11 VAL 44 -10.330 11.187 3.534 392 HG12 VAL 44 HG12 VAL 44 -9.651 11.117 5.162 393 HG13 VAL 44 HG13 VAL 44 -9.582 9.696 4.118 394 HG21 VAL 44 HG21 VAL 44 -8.668 11.182 1.479 395 HG22 VAL 44 HG22 VAL 44 -8.033 9.664 2.115 396 HG23 VAL 44 HG23 VAL 44 -6.940 11.015 1.816 397 H PHE 45 H PHE 45 -9.535 14.618 4.544 398 HA PHE 45 HA PHE 45 -8.175 15.154 7.024 399 HB2 PHE 45 HB2 PHE 45 -10.886 16.150 6.023 400 HB3 PHE 45 HB3 PHE 45 -9.969 16.823 7.368 401 HD1 PHE 45 HD1 PHE 45 -7.898 18.120 6.954 402 HD2 PHE 45 HD2 PHE 45 -10.267 16.657 3.713 403 HE1 PHE 45 HE1 PHE 45 -6.740 19.640 5.412 404 HE2 PHE 45 HE2 PHE 45 -9.106 18.176 2.187 405 HZ PHE 45 HZ PHE 45 -7.340 19.668 3.026 406 H TYR 46 H TYR 46 -8.436 14.052 8.831 407 HA TYR 46 HA TYR 46 -10.753 12.277 9.263 408 HB2 TYR 46 HB2 TYR 46 -8.584 11.120 9.164 409 HB3 TYR 46 HB3 TYR 46 -7.904 12.214 10.365 410 HD1 TYR 46 HD1 TYR 46 -11.015 10.106 10.146 411 HD2 TYR 46 HD2 TYR 46 -7.550 11.123 12.423 412 HE1 TYR 46 HE1 TYR 46 -11.763 8.619 11.942 413 HE2 TYR 46 HE2 TYR 46 -8.300 9.631 14.222 414 HH TYR 46 HH TYR 46 -10.449 8.680 15.050 415 H GLN 47 H GLN 47 -11.562 12.110 11.467 416 HA GLN 47 HA GLN 47 -12.321 12.739 13.473 417 HB2 GLN 47 HB2 GLN 47 -9.966 12.834 14.188 418 HB3 GLN 47 HB3 GLN 47 -9.826 14.484 13.596 419 HG2 GLN 47 HG2 GLN 47 -11.475 15.216 15.303 420 HG3 GLN 47 HG3 GLN 47 -11.550 13.566 15.926 421 HE21 GLN 47 HE21 GLN 47 -9.801 12.784 17.161 422 HE22 GLN 47 HE22 GLN 47 -8.548 13.814 17.748 423 H SER 48 H SER 48 -14.086 13.593 12.310 424 HA SER 48 HA SER 48 -14.212 16.100 11.090 425 HB2 SER 48 HB2 SER 48 -15.756 14.266 10.565 426 HB3 SER 48 HB3 SER 48 -16.481 14.378 12.167 427 HG SER 48 HG SER 48 -17.607 15.477 10.400 428 H HIS 49 H HIS 49 -15.275 18.002 11.617 429 HA HIS 49 HA HIS 49 -15.053 19.165 14.142 430 HB2 HIS 49 HB2 HIS 49 -15.268 20.387 11.967 431 HB3 HIS 49 HB3 HIS 49 -16.954 19.902 11.864 432 HD1 HIS 49 HD1 HIS 49 -14.926 22.680 12.789 433 HD2 HIS 49 HD2 HIS 49 -18.482 21.082 14.236 434 HE1 HIS 49 HE1 HIS 49 -16.057 24.555 14.014 435 HE2 HIS 49 HE2 HIS 49 -18.202 23.572 14.895 436 H GLU 50 H GLU 50 -17.583 17.221 12.729 437 HA GLU 50 HA GLU 50 -19.461 17.734 14.949 438 HB2 GLU 50 HB2 GLU 50 -20.236 18.280 12.661 439 HB3 GLU 50 HB3 GLU 50 -19.952 16.616 12.160 440 HG2 GLU 50 HG2 GLU 50 -21.724 15.814 13.581 441 HG3 GLU 50 HG3 GLU 50 -21.895 17.392 14.350 442 H ASP 51 H ASP 51 -18.637 14.997 12.758 443 HA ASP 51 HA ASP 51 -19.358 13.060 14.870 444 HB2 ASP 51 HB2 ASP 51 -19.468 11.409 12.999 445 HB3 ASP 51 HB3 ASP 51 -20.544 12.775 12.757 446 H THR 52 H THR 52 -18.011 10.842 14.382 447 HA THR 52 HA THR 52 -15.139 11.524 14.652 448 HB THR 52 HB THR 52 -16.666 9.163 15.835 449 HG1 THR 52 HG1 THR 52 -15.788 10.450 17.812 450 HG21 THR 52 HG21 THR 52 -14.570 8.693 17.085 451 HG22 THR 52 HG22 THR 52 -13.747 9.972 16.192 452 HG23 THR 52 HG23 THR 52 -14.330 8.537 15.344 453 H GLY 53 H GLY 53 -14.592 11.361 12.523 454 HA2 GLY 53 HA2 GLY 53 -13.683 8.976 11.465 455 HA3 GLY 53 HA3 GLY 53 -15.271 9.247 10.739 456 H PHE 54 H PHE 54 -13.579 9.232 8.875 457 HA PHE 54 HA PHE 54 -12.161 11.563 8.212 458 HB2 PHE 54 HB2 PHE 54 -13.560 9.548 6.405 459 HB3 PHE 54 HB3 PHE 54 -12.499 10.818 5.814 460 HD1 PHE 54 HD1 PHE 54 -10.331 10.549 7.997 461 HD2 PHE 54 HD2 PHE 54 -12.347 7.660 5.582 462 HE1 PHE 54 HE1 PHE 54 -8.365 9.074 8.106 463 HE2 PHE 54 HE2 PHE 54 -10.383 6.188 5.706 464 HZ PHE 54 HZ PHE 54 -8.390 6.895 6.964 465 H VAL 55 H VAL 55 -13.089 13.547 8.318 466 HA VAL 55 HA VAL 55 -15.825 14.133 7.806 467 HB VAL 55 HB VAL 55 -14.662 15.600 9.270 468 HG11 VAL 55 HG11 VAL 55 -12.727 16.274 7.048 469 HG12 VAL 55 HG12 VAL 55 -12.376 15.330 8.498 470 HG13 VAL 55 HG13 VAL 55 -12.767 17.043 8.638 471 HG21 VAL 55 HG21 VAL 55 -16.419 16.713 7.970 472 HG22 VAL 55 HG22 VAL 55 -15.233 17.189 6.752 473 HG23 VAL 55 HG23 VAL 55 -15.130 17.845 8.387 474 H GLY 56 H GLY 56 -12.919 14.174 5.825 475 HA2 GLY 56 HA2 GLY 56 -14.344 13.880 3.402 476 HA3 GLY 56 HA3 GLY 56 -13.897 15.577 3.595 477 H GLU 57 H GLU 57 -12.752 15.061 1.598 478 HA GLU 57 HA GLU 57 -9.955 14.404 2.159 479 HB2 GLU 57 HB2 GLU 57 -9.729 13.033 0.156 480 HB3 GLU 57 HB3 GLU 57 -10.999 12.348 1.164 481 HG2 GLU 57 HG2 GLU 57 -12.710 13.386 -0.293 482 HG3 GLU 57 HG3 GLU 57 -11.430 14.066 -1.297 483 H ALA 58 H ALA 58 -8.670 15.033 0.079 484 HA ALA 58 HA ALA 58 -9.767 17.059 -1.656 485 HB1 ALA 58 HB1 ALA 58 -9.347 18.437 0.328 486 HB2 ALA 58 HB2 ALA 58 -8.205 18.856 -0.952 487 HB3 ALA 58 HB3 ALA 58 -7.685 17.853 0.407 488 H ARG 59 H ARG 59 -7.511 18.138 -2.702 489 HA ARG 59 HA ARG 59 -5.796 15.856 -3.463 490 HB2 ARG 59 HB2 ARG 59 -7.034 17.935 -5.319 491 HB3 ARG 59 HB3 ARG 59 -5.786 16.786 -5.808 492 HG2 ARG 59 HG2 ARG 59 -8.526 16.026 -4.745 493 HG3 ARG 59 HG3 ARG 59 -8.091 16.087 -6.462 494 HD2 ARG 59 HD2 ARG 59 -6.461 14.291 -6.125 495 HD3 ARG 59 HD3 ARG 59 -6.763 14.290 -4.385 496 HE ARG 59 HE ARG 59 -8.399 13.108 -6.469 497 HH11 ARG 59 HH11 ARG 59 -8.395 14.211 -3.131 498 HH12 ARG 59 HH12 ARG 59 -9.685 13.153 -2.657 499 HH21 ARG 59 HH21 ARG 59 -10.112 11.744 -5.812 500 HH22 ARG 59 HH22 ARG 59 -10.643 11.779 -4.160 501 H ILE 60 H ILE 60 -3.810 16.243 -2.976 502 HA ILE 60 HA ILE 60 -2.751 18.772 -2.218 503 HB ILE 60 HB ILE 60 -1.537 16.014 -2.583 504 HG12 ILE 60 HG12 ILE 60 -1.751 17.648 -0.026 505 HG13 ILE 60 HG13 ILE 60 -3.082 16.653 -0.572 506 HG21 ILE 60 HG21 ILE 60 0.580 16.853 -1.595 507 HG22 ILE 60 HG22 ILE 60 -0.030 18.505 -1.710 508 HG23 ILE 60 HG23 ILE 60 0.255 17.564 -3.176 509 HD11 ILE 60 HD11 ILE 60 -0.310 15.662 0.098 510 HD12 ILE 60 HD12 ILE 60 -1.686 14.665 -0.390 511 HD13 ILE 60 HD13 ILE 60 -1.734 15.557 1.131 512 H LYS 61 H LYS 61 -1.667 20.161 -3.301 513 HA LYS 61 HA LYS 61 -0.849 19.799 -6.105 514 HB2 LYS 61 HB2 LYS 61 -2.694 21.893 -4.890 515 HB3 LYS 61 HB3 LYS 61 -1.816 22.249 -6.362 516 HG2 LYS 61 HG2 LYS 61 -3.676 19.876 -6.062 517 HG3 LYS 61 HG3 LYS 61 -4.190 21.453 -6.661 518 HD2 LYS 61 HD2 LYS 61 -2.069 19.672 -7.942 519 HD3 LYS 61 HD3 LYS 61 -3.728 19.882 -8.512 520 HE2 LYS 61 HE2 LYS 61 -3.302 22.248 -8.984 521 HE3 LYS 61 HE3 LYS 61 -1.672 22.115 -8.319 522 HZ1 LYS 61 HZ1 LYS 61 -2.706 20.755 -10.742 523 HZ2 LYS 61 HZ2 LYS 61 -1.166 20.507 -10.080 524 HZ3 LYS 61 HZ3 LYS 61 -1.591 22.026 -10.686 525 H ARG 62 H ARG 62 0.252 22.025 -6.714 526 HA ARG 62 HA ARG 62 2.790 21.974 -6.056 527 HB2 ARG 62 HB2 ARG 62 2.930 24.457 -6.649 528 HB3 ARG 62 HB3 ARG 62 2.067 23.431 -7.792 529 HG2 ARG 62 HG2 ARG 62 -0.092 24.184 -6.801 530 HG3 ARG 62 HG3 ARG 62 0.799 25.269 -5.727 531 HD2 ARG 62 HD2 ARG 62 1.642 26.520 -7.670 532 HD3 ARG 62 HD3 ARG 62 0.828 25.396 -8.770 533 HE ARG 62 HE ARG 62 -1.030 26.519 -6.943 534 HH11 ARG 62 HH11 ARG 62 0.734 27.356 -9.872 535 HH12 ARG 62 HH12 ARG 62 -0.402 28.581 -10.336 536 HH21 ARG 62 HH21 ARG 62 -2.477 28.104 -7.554 537 HH22 ARG 62 HH22 ARG 62 -2.221 29.007 -9.015 538 H VAL 63 H VAL 63 3.874 21.873 -4.217 539 HA VAL 63 HA VAL 63 2.961 23.251 -1.815 540 HB VAL 63 HB VAL 63 4.644 21.923 -0.574 541 HG11 VAL 63 HG11 VAL 63 2.964 20.206 -2.447 542 HG12 VAL 63 HG12 VAL 63 2.414 20.948 -0.944 543 HG13 VAL 63 HG13 VAL 63 3.645 19.687 -0.902 544 HG21 VAL 63 HG21 VAL 63 6.436 21.786 -2.273 545 HG22 VAL 63 HG22 VAL 63 5.440 20.719 -3.265 546 HG23 VAL 63 HG23 VAL 63 6.015 20.175 -1.686 547 H VAL 64 H VAL 64 3.743 25.151 -1.182 548 HA VAL 64 HA VAL 64 6.036 26.378 -2.546 549 HB VAL 64 HB VAL 64 4.066 27.534 -0.516 550 HG11 VAL 64 HG11 VAL 64 6.184 28.755 -0.391 551 HG12 VAL 64 HG12 VAL 64 4.947 29.763 -1.144 552 HG13 VAL 64 HG13 VAL 64 6.182 28.990 -2.142 553 HG21 VAL 64 HG21 VAL 64 4.176 27.919 -3.532 554 HG22 VAL 64 HG22 VAL 64 3.048 28.712 -2.428 555 HG23 VAL 64 HG23 VAL 64 2.976 26.963 -2.653 556 H LEU 65 H LEU 65 7.936 25.791 -1.733 557 HA LEU 65 HA LEU 65 8.295 25.083 1.073 558 HB2 LEU 65 HB2 LEU 65 10.298 25.065 -1.234 559 HB3 LEU 65 HB3 LEU 65 10.556 24.364 0.353 560 HG LEU 65 HG LEU 65 8.584 23.374 -1.750 561 HD11 LEU 65 HD11 LEU 65 10.905 22.840 -2.301 562 HD12 LEU 65 HD12 LEU 65 10.010 21.385 -1.880 563 HD13 LEU 65 HD13 LEU 65 11.137 22.092 -0.717 564 HD21 LEU 65 HD21 LEU 65 8.136 21.483 -0.235 565 HD22 LEU 65 HD22 LEU 65 7.632 23.016 0.465 566 HD23 LEU 65 HD23 LEU 65 9.121 22.244 1.019 567 H SER 66 H SER 66 8.865 26.599 2.499 568 HA SER 66 HA SER 66 10.703 28.757 1.895 569 HB2 SER 66 HB2 SER 66 8.568 29.758 1.161 570 HB3 SER 66 HB3 SER 66 7.809 29.342 2.699 571 HG SER 66 HG SER 66 8.612 31.097 3.501 572 H GLU 67 H GLU 67 11.866 29.275 3.657 573 HA GLU 67 HA GLU 67 11.677 27.942 6.138 574 HB2 GLU 67 HB2 GLU 67 13.205 30.375 5.190 575 HB3 GLU 67 HB3 GLU 67 13.363 29.796 6.843 576 HG2 GLU 67 HG2 GLU 67 14.420 27.803 6.181 577 HG3 GLU 67 HG3 GLU 67 13.890 27.944 4.514 578 H ASN 68 H ASN 68 10.446 31.068 5.038 579 HA ASN 68 HA ASN 68 9.461 31.767 7.722 580 HB2 ASN 68 HB2 ASN 68 9.323 33.357 5.138 581 HB3 ASN 68 HB3 ASN 68 8.809 33.933 6.714 582 HD21 ASN 68 HD21 ASN 68 10.907 34.950 4.887 583 HD22 ASN 68 HD22 ASN 68 12.343 35.018 5.844 584 HA PRO 69 HA PRO 69 5.451 29.967 6.512 585 HB2 PRO 69 HB2 PRO 69 4.192 30.329 8.912 586 HB3 PRO 69 HB3 PRO 69 5.376 29.048 8.635 587 HG2 PRO 69 HG2 PRO 69 5.772 31.733 9.944 588 HG3 PRO 69 HG3 PRO 69 6.343 30.137 10.475 589 HD2 PRO 69 HD2 PRO 69 7.952 31.898 9.165 590 HD3 PRO 69 HD3 PRO 69 8.125 30.135 8.981 591 H MET 70 H MET 70 6.234 33.200 7.135 592 HA MET 70 HA MET 70 3.509 34.267 7.084 593 HB2 MET 70 HB2 MET 70 6.217 35.643 7.195 594 HB3 MET 70 HB3 MET 70 4.674 36.487 7.245 595 HG2 MET 70 HG2 MET 70 4.131 35.567 9.372 596 HG3 MET 70 HG3 MET 70 5.447 34.390 9.285 597 HE1 MET 70 HE1 MET 70 7.904 36.156 8.216 598 HE2 MET 70 HE2 MET 70 8.024 35.009 9.554 599 HE3 MET 70 HE3 MET 70 8.615 36.660 9.751 600 H GLN 71 H GLN 71 6.118 33.609 4.874 601 HA GLN 71 HA GLN 71 5.307 35.282 2.725 602 HB2 GLN 71 HB2 GLN 71 6.846 32.656 2.652 603 HB3 GLN 71 HB3 GLN 71 6.622 33.723 1.266 604 HG2 GLN 71 HG2 GLN 71 7.736 35.528 2.801 605 HG3 GLN 71 HG3 GLN 71 8.291 34.142 3.738 606 HE21 GLN 71 HE21 GLN 71 8.514 35.836 0.704 607 HE22 GLN 71 HE22 GLN 71 9.944 35.053 0.127 608 H PHE 72 H PHE 72 4.048 32.301 3.963 609 HA PHE 72 HA PHE 72 2.515 31.527 1.675 610 HB2 PHE 72 HB2 PHE 72 2.005 30.893 4.611 611 HB3 PHE 72 HB3 PHE 72 1.352 30.018 3.225 612 HD1 PHE 72 HD1 PHE 72 4.038 30.049 1.602 613 HD2 PHE 72 HD2 PHE 72 3.060 28.988 5.625 614 HE1 PHE 72 HE1 PHE 72 5.950 28.512 1.673 615 HE2 PHE 72 HE2 PHE 72 4.971 27.456 5.676 616 HZ PHE 72 HZ PHE 72 6.418 27.212 3.705 617 H PHE 73 H PHE 73 2.070 33.872 4.235 618 HA PHE 73 HA PHE 73 -0.771 34.229 3.760 619 HB2 PHE 73 HB2 PHE 73 1.171 35.797 5.507 620 HB3 PHE 73 HB3 PHE 73 -0.565 36.093 5.433 621 HD1 PHE 73 HD1 PHE 73 -1.862 33.571 5.554 622 HD2 PHE 73 HD2 PHE 73 1.727 34.758 7.551 623 HE1 PHE 73 HE1 PHE 73 -2.244 31.878 7.279 624 HE2 PHE 73 HE2 PHE 73 1.320 33.045 9.257 625 HZ PHE 73 HZ PHE 73 -0.659 31.606 9.131 626 H GLU 74 H GLU 74 2.260 35.831 2.773 627 HA GLU 74 HA GLU 74 0.890 38.018 1.477 628 HB2 GLU 74 HB2 GLU 74 2.984 38.732 0.612 629 HB3 GLU 74 HB3 GLU 74 3.324 38.088 2.215 630 HG2 GLU 74 HG2 GLU 74 4.186 36.019 1.220 631 HG3 GLU 74 HG3 GLU 74 3.795 36.609 -0.393 632 H THR 75 H THR 75 1.790 34.757 0.531 633 HA THR 75 HA THR 75 1.271 35.126 -2.306 634 HB THR 75 HB THR 75 1.652 32.539 -0.722 635 HG1 THR 75 HG1 THR 75 3.461 34.051 -0.744 636 HG21 THR 75 HG21 THR 75 1.824 33.018 -3.726 637 HG22 THR 75 HG22 THR 75 0.552 32.113 -2.903 638 HG23 THR 75 HG23 THR 75 2.206 31.500 -2.904 639 H PHE 76 H PHE 76 -0.279 33.239 0.306 640 HA PHE 76 HA PHE 76 -2.735 32.917 -1.292 641 HB2 PHE 76 HB2 PHE 76 -1.806 31.434 1.206 642 HB3 PHE 76 HB3 PHE 76 -3.251 31.064 0.282 643 HD1 PHE 76 HD1 PHE 76 -2.849 30.511 -2.281 644 HD2 PHE 76 HD2 PHE 76 0.139 30.211 0.765 645 HE1 PHE 76 HE1 PHE 76 -1.588 28.916 -3.666 646 HE2 PHE 76 HE2 PHE 76 1.398 28.624 -0.629 647 HZ PHE 76 HZ PHE 76 0.534 27.973 -2.844 648 H GLY 77 H GLY 77 -1.884 33.327 2.179 649 HA2 GLY 77 HA2 GLY 77 -2.710 34.680 3.836 650 HA3 GLY 77 HA3 GLY 77 -3.538 35.634 2.614 651 H ASP 78 H ASP 78 -5.601 34.926 1.877 652 HA ASP 78 HA ASP 78 -7.430 34.001 3.798 653 HB2 ASP 78 HB2 ASP 78 -8.192 35.343 1.905 654 HB3 ASP 78 HB3 ASP 78 -7.640 34.128 0.760 655 H ARG 79 H ARG 79 -5.774 32.338 1.148 656 HA ARG 79 HA ARG 79 -7.277 29.920 1.300 657 HB2 ARG 79 HB2 ARG 79 -4.584 30.380 -0.045 658 HB3 ARG 79 HB3 ARG 79 -5.652 29.012 -0.325 659 HG2 ARG 79 HG2 ARG 79 -6.220 31.917 -1.019 660 HG3 ARG 79 HG3 ARG 79 -5.807 30.629 -2.157 661 HD2 ARG 79 HD2 ARG 79 -7.893 29.433 -1.494 662 HD3 ARG 79 HD3 ARG 79 -8.313 30.793 -0.444 663 HE ARG 79 HE ARG 79 -7.864 31.325 -3.298 664 HH11 ARG 79 HH11 ARG 79 -10.142 31.145 -0.629 665 HH12 ARG 79 HH12 ARG 79 -11.455 31.781 -1.562 666 HH21 ARG 79 HH21 ARG 79 -9.591 32.187 -4.484 667 HH22 ARG 79 HH22 ARG 79 -11.145 32.369 -3.744 668 H VAL 80 H VAL 80 -4.511 31.055 3.130 669 HA VAL 80 HA VAL 80 -3.653 28.401 3.944 670 HB VAL 80 HB VAL 80 -3.091 31.042 5.356 671 HG11 VAL 80 HG11 VAL 80 -2.650 29.073 6.768 672 HG12 VAL 80 HG12 VAL 80 -1.147 29.888 6.330 673 HG13 VAL 80 HG13 VAL 80 -1.609 28.391 5.513 674 HG21 VAL 80 HG21 VAL 80 -2.321 31.200 3.041 675 HG22 VAL 80 HG22 VAL 80 -1.440 29.679 3.205 676 HG23 VAL 80 HG23 VAL 80 -0.940 31.093 4.138 677 H PHE 81 H PHE 81 -4.456 27.218 5.650 678 HA PHE 81 HA PHE 81 -7.095 27.588 6.356 679 HB2 PHE 81 HB2 PHE 81 -6.950 25.642 7.746 680 HB3 PHE 81 HB3 PHE 81 -5.918 25.397 6.352 681 HD1 PHE 81 HD1 PHE 81 -3.432 25.393 6.610 682 HD2 PHE 81 HD2 PHE 81 -6.041 25.569 9.989 683 HE1 PHE 81 HE1 PHE 81 -1.602 24.662 8.077 684 HE2 PHE 81 HE2 PHE 81 -4.197 24.854 11.448 685 HZ PHE 81 HZ PHE 81 -1.976 24.400 10.491 686 H LEU 82 H LEU 82 -4.252 28.304 8.330 687 HA LEU 82 HA LEU 82 -5.984 29.647 10.317 688 HB2 LEU 82 HB2 LEU 82 -4.310 29.391 11.930 689 HB3 LEU 82 HB3 LEU 82 -4.244 27.880 11.054 690 HG LEU 82 HG LEU 82 -2.261 30.179 10.749 691 HD11 LEU 82 HD11 LEU 82 -0.668 28.752 11.934 692 HD12 LEU 82 HD12 LEU 82 -1.913 27.520 12.164 693 HD13 LEU 82 HD13 LEU 82 -2.078 29.099 12.938 694 HD21 LEU 82 HD21 LEU 82 -2.443 28.900 8.669 695 HD22 LEU 82 HD22 LEU 82 -2.151 27.396 9.544 696 HD23 LEU 82 HD23 LEU 82 -0.886 28.625 9.448 697 H THR 83 H THR 83 -5.307 31.815 11.044 698 HA THR 83 HA THR 83 -4.320 33.420 8.779 699 HB THR 83 HB THR 83 -6.488 34.117 9.777 700 HG1 THR 83 HG1 THR 83 -5.925 36.348 10.076 701 HG21 THR 83 HG21 THR 83 -6.558 35.173 12.012 702 HG22 THR 83 HG22 THR 83 -4.886 34.681 12.289 703 HG23 THR 83 HG23 THR 83 -6.147 33.460 12.106 704 H LYS 84 H LYS 84 -3.026 35.444 9.497 705 HA LYS 84 HA LYS 84 -0.462 34.824 10.312 706 HB2 LYS 84 HB2 LYS 84 -1.092 36.905 9.122 707 HB3 LYS 84 HB3 LYS 84 -1.923 37.488 10.553 708 HG2 LYS 84 HG2 LYS 84 0.123 38.669 10.489 709 HG3 LYS 84 HG3 LYS 84 0.329 37.452 11.739 710 HD2 LYS 84 HD2 LYS 84 2.353 37.592 10.416 711 HD3 LYS 84 HD3 LYS 84 1.580 36.032 10.124 712 HE2 LYS 84 HE2 LYS 84 2.464 37.124 8.054 713 HE3 LYS 84 HE3 LYS 84 0.733 36.797 7.984 714 HZ1 LYS 84 HZ1 LYS 84 0.298 39.099 8.499 715 HZ2 LYS 84 HZ2 LYS 84 1.293 38.993 7.139 716 HZ3 LYS 84 HZ3 LYS 84 1.952 39.422 8.635 717 H ASP 85 H ASP 85 -3.168 35.997 12.256 718 HA ASP 85 HA ASP 85 -1.889 36.433 14.726 719 HB2 ASP 85 HB2 ASP 85 -4.787 35.605 14.252 720 HB3 ASP 85 HB3 ASP 85 -4.132 36.312 15.728 721 H GLU 86 H GLU 86 -3.603 33.586 13.466 722 HA GLU 86 HA GLU 86 -3.404 31.981 15.772 723 HB2 GLU 86 HB2 GLU 86 -3.634 31.081 12.879 724 HB3 GLU 86 HB3 GLU 86 -3.906 30.057 14.291 725 HG2 GLU 86 HG2 GLU 86 -5.537 32.463 13.461 726 HG3 GLU 86 HG3 GLU 86 -6.010 30.777 13.323 727 H LEU 87 H LEU 87 -1.248 32.404 12.995 728 HA LEU 87 HA LEU 87 0.611 30.339 13.544 729 HB2 LEU 87 HB2 LEU 87 0.623 31.387 11.354 730 HB3 LEU 87 HB3 LEU 87 0.896 32.974 12.058 731 HG LEU 87 HG LEU 87 3.165 32.173 12.842 732 HD11 LEU 87 HD11 LEU 87 2.632 29.762 11.099 733 HD12 LEU 87 HD12 LEU 87 2.790 29.780 12.859 734 HD13 LEU 87 HD13 LEU 87 4.173 30.193 11.852 735 HD21 LEU 87 HD21 LEU 87 2.785 32.127 9.841 736 HD22 LEU 87 HD22 LEU 87 4.285 32.451 10.712 737 HD23 LEU 87 HD23 LEU 87 2.935 33.572 10.844 738 H LYS 88 H LYS 88 0.708 33.851 14.350 739 HA LYS 88 HA LYS 88 3.249 33.697 15.581 740 HB2 LYS 88 HB2 LYS 88 2.735 36.023 16.512 741 HB3 LYS 88 HB3 LYS 88 2.736 35.836 14.773 742 HG2 LYS 88 HG2 LYS 88 0.914 37.247 15.155 743 HG3 LYS 88 HG3 LYS 88 0.180 35.678 14.950 744 HD2 LYS 88 HD2 LYS 88 -0.908 36.888 16.741 745 HD3 LYS 88 HD3 LYS 88 -0.096 35.464 17.385 746 HE2 LYS 88 HE2 LYS 88 1.728 36.842 18.220 747 HE3 LYS 88 HE3 LYS 88 1.022 38.268 17.460 748 HZ1 LYS 88 HZ1 LYS 88 0.537 38.124 19.843 749 HZ2 LYS 88 HZ2 LYS 88 -0.293 36.673 19.582 750 HZ3 LYS 88 HZ3 LYS 88 -0.867 38.108 18.903 751 H GLU 89 H GLU 89 -0.034 33.560 16.994 752 HA GLU 89 HA GLU 89 0.916 33.463 19.716 753 HB2 GLU 89 HB2 GLU 89 -1.375 33.090 20.380 754 HB3 GLU 89 HB3 GLU 89 -1.354 34.312 19.118 755 HG2 GLU 89 HG2 GLU 89 -2.086 32.607 17.474 756 HG3 GLU 89 HG3 GLU 89 -2.129 31.398 18.759 757 H TYR 90 H TYR 90 0.345 31.094 17.223 758 HA TYR 90 HA TYR 90 0.375 28.717 18.770 759 HB2 TYR 90 HB2 TYR 90 -0.331 28.591 16.473 760 HB3 TYR 90 HB3 TYR 90 1.148 29.338 15.897 761 HD1 TYR 90 HD1 TYR 90 -0.094 26.205 17.587 762 HD2 TYR 90 HD2 TYR 90 2.880 27.981 15.077 763 HE1 TYR 90 HE1 TYR 90 0.864 23.980 17.139 764 HE2 TYR 90 HE2 TYR 90 3.843 25.760 14.636 765 HH TYR 90 HH TYR 90 2.257 22.859 15.430 766 H MET 91 H MET 91 2.961 30.647 17.269 767 HA MET 91 HA MET 91 5.101 28.921 18.153 768 HB2 MET 91 HB2 MET 91 5.158 31.706 16.916 769 HB3 MET 91 HB3 MET 91 6.583 30.719 17.208 770 HG2 MET 91 HG2 MET 91 5.659 28.988 15.675 771 HG3 MET 91 HG3 MET 91 4.308 30.064 15.321 772 HE1 MET 91 HE1 MET 91 5.735 32.937 15.189 773 HE2 MET 91 HE2 MET 91 4.550 32.356 14.017 774 HE3 MET 91 HE3 MET 91 6.087 33.019 13.463 775 H LYS 92 H LYS 92 3.569 31.872 19.367 776 HA LYS 92 HA LYS 92 5.392 32.318 21.555 777 HB2 LYS 92 HB2 LYS 92 2.510 33.272 21.230 778 HB3 LYS 92 HB3 LYS 92 3.639 33.847 22.453 779 HG2 LYS 92 HG2 LYS 92 3.906 34.228 19.454 780 HG3 LYS 92 HG3 LYS 92 3.391 35.455 20.608 781 HD2 LYS 92 HD2 LYS 92 6.130 34.118 20.630 782 HD3 LYS 92 HD3 LYS 92 5.783 35.649 19.825 783 HE2 LYS 92 HE2 LYS 92 5.169 36.656 21.990 784 HE3 LYS 92 HE3 LYS 92 5.491 35.119 22.802 785 HZ1 LYS 92 HZ1 LYS 92 7.786 35.268 22.180 786 HZ2 LYS 92 HZ2 LYS 92 7.339 36.708 22.949 787 HZ3 LYS 92 HZ3 LYS 92 7.506 36.666 21.267 788 H SER 93 H SER 93 2.734 30.175 20.988 789 HA SER 93 HA SER 93 2.203 29.490 23.725 790 HB2 SER 93 HB2 SER 93 0.558 29.153 21.863 791 HB3 SER 93 HB3 SER 93 1.606 27.912 21.183 792 HG SER 93 HG SER 93 -0.201 27.242 22.587 793 H GLN 94 H GLN 94 4.435 28.375 21.209 794 HA GLN 94 HA GLN 94 5.199 25.939 22.519 795 HB2 GLN 94 HB2 GLN 94 6.785 27.421 20.388 796 HB3 GLN 94 HB3 GLN 94 6.908 25.717 20.811 797 HG2 GLN 94 HG2 GLN 94 4.614 27.108 19.411 798 HG3 GLN 94 HG3 GLN 94 5.726 25.931 18.726 799 HE21 GLN 94 HE21 GLN 94 2.758 25.965 18.957 800 HE22 GLN 94 HE22 GLN 94 2.343 24.476 19.730 801 H GLU 95 H GLU 95 6.154 29.242 22.972 802 HA GLU 95 HA GLU 95 8.658 28.526 24.331 803 HB2 GLU 95 HB2 GLU 95 9.088 30.929 24.514 804 HB3 GLU 95 HB3 GLU 95 8.697 30.494 22.853 805 HG2 GLU 95 HG2 GLU 95 6.489 31.439 23.043 806 HG3 GLU 95 HG3 GLU 95 6.682 31.681 24.778 807 H ARG 96 H ARG 96 5.367 28.895 25.200 808 HA ARG 96 HA ARG 96 6.065 29.501 28.014 809 HB2 ARG 96 HB2 ARG 96 3.710 29.946 28.410 810 HB3 ARG 96 HB3 ARG 96 4.254 30.864 27.011 811 HG2 ARG 96 HG2 ARG 96 3.221 29.086 25.549 812 HG3 ARG 96 HG3 ARG 96 2.542 28.361 27.006 813 HD2 ARG 96 HD2 ARG 96 0.877 29.767 25.887 814 HD3 ARG 96 HD3 ARG 96 1.302 30.462 27.455 815 HE ARG 96 HE ARG 96 2.957 31.826 25.933 816 HH11 ARG 96 HH11 ARG 96 -0.367 31.028 25.133 817 HH12 ARG 96 HH12 ARG 96 -0.625 32.497 24.255 818 HH21 ARG 96 HH21 ARG 96 2.629 33.712 24.774 819 HH22 ARG 96 HH22 ARG 96 1.091 34.030 24.046 820 H TRP 97 H TRP 97 4.901 26.932 25.925 821 HA TRP 97 HA TRP 97 4.524 25.107 28.201 822 HB2 TRP 97 HB2 TRP 97 4.198 24.469 25.243 823 HB3 TRP 97 HB3 TRP 97 3.660 23.492 26.603 824 HD1 TRP 97 HD1 TRP 97 1.983 25.081 24.086 825 HE1 TRP 97 HE1 TRP 97 -0.159 26.312 24.767 826 HE3 TRP 97 HE3 TRP 97 2.771 25.441 29.157 827 HZ2 TRP 97 HZ2 TRP 97 -1.371 27.294 27.080 828 HZ3 TRP 97 HZ3 TRP 97 1.048 26.547 30.521 829 HH2 TRP 97 HH2 TRP 97 -0.983 27.453 29.504 830 H GLY 98 H GLY 98 6.854 25.958 25.800 831 HA2 GLY 98 HA2 GLY 98 8.745 23.927 26.857 832 HA3 GLY 98 HA3 GLY 98 8.587 24.193 25.116 833 H ARG 99 H ARG 99 11.022 24.597 25.732 834 HA ARG 99 HA ARG 99 11.499 27.399 26.536 835 HB2 ARG 99 HB2 ARG 99 13.255 24.937 26.387 836 HB3 ARG 99 HB3 ARG 99 13.992 26.529 26.374 837 HG2 ARG 99 HG2 ARG 99 14.030 25.585 28.614 838 HG3 ARG 99 HG3 ARG 99 13.022 27.028 28.569 839 HD2 ARG 99 HD2 ARG 99 11.001 25.679 28.597 840 HD3 ARG 99 HD3 ARG 99 11.947 24.195 28.468 841 HE ARG 99 HE ARG 99 12.918 24.805 30.680 842 HH11 ARG 99 HH11 ARG 99 9.719 26.039 29.851 843 HH12 ARG 99 HH12 ARG 99 9.206 26.118 31.500 844 HH21 ARG 99 HH21 ARG 99 12.242 24.952 32.813 845 HH22 ARG 99 HH22 ARG 99 10.644 25.505 33.189 846 H ARG 100 H ARG 100 11.223 28.714 24.782 847 HA ARG 100 HA ARG 100 13.043 28.308 22.475 848 HB2 ARG 100 HB2 ARG 100 10.142 29.252 22.396 849 HB3 ARG 100 HB3 ARG 100 11.276 29.640 21.110 850 HG2 ARG 100 HG2 ARG 100 11.600 27.146 20.777 851 HG3 ARG 100 HG3 ARG 100 10.268 26.893 21.909 852 HD2 ARG 100 HD2 ARG 100 8.741 28.120 20.445 853 HD3 ARG 100 HD3 ARG 100 10.067 28.526 19.350 854 HE ARG 100 HE ARG 100 9.746 25.687 19.670 855 HH11 ARG 100 HH11 ARG 100 8.451 28.463 17.924 856 HH12 ARG 100 HH12 ARG 100 7.866 27.512 16.599 857 HH21 ARG 100 HH21 ARG 100 8.960 24.450 17.928 858 HH22 ARG 100 HH22 ARG 100 8.153 25.228 16.604 859 H ARG 101 H ARG 101 13.599 29.667 24.900 860 HA ARG 101 HA ARG 101 13.483 32.549 24.272 861 HB2 ARG 101 HB2 ARG 101 14.654 31.097 26.680 862 HB3 ARG 101 HB3 ARG 101 14.540 32.847 26.501 863 HG2 ARG 101 HG2 ARG 101 12.072 32.674 26.508 864 HG3 ARG 101 HG3 ARG 101 12.205 30.921 26.694 865 HD2 ARG 101 HD2 ARG 101 13.417 31.261 28.832 866 HD3 ARG 101 HD3 ARG 101 13.221 33.004 28.656 867 HE ARG 101 HE ARG 101 10.707 32.386 28.647 868 HH11 ARG 101 HH11 ARG 101 13.130 30.691 30.554 869 HH12 ARG 101 HH12 ARG 101 12.049 30.388 31.873 870 HH21 ARG 101 HH21 ARG 101 9.310 31.976 30.390 871 HH22 ARG 101 HH22 ARG 101 9.889 31.122 31.782 872 H GLU 102 H GLU 102 15.541 29.838 23.940 873 HA GLU 102 HA GLU 102 18.131 30.962 24.306 874 HB2 GLU 102 HB2 GLU 102 17.417 28.534 22.575 875 HB3 GLU 102 HB3 GLU 102 18.990 28.912 23.257 876 HG2 GLU 102 HG2 GLU 102 18.186 27.188 24.620 877 HG3 GLU 102 HG3 GLU 102 17.895 28.646 25.562 878 H SER 103 H SER 103 16.342 30.091 21.370 879 HA SER 103 HA SER 103 17.038 32.480 19.957 880 HB2 SER 103 HB2 SER 103 19.131 31.159 19.585 881 HB3 SER 103 HB3 SER 103 18.181 29.843 18.898 882 HG SER 103 HG SER 103 19.231 31.663 17.517 883 H LYS 104 H LYS 104 16.199 32.212 17.591 884 HA LYS 104 HA LYS 104 13.466 31.293 17.682 885 HB2 LYS 104 HB2 LYS 104 15.085 32.452 15.373 886 HB3 LYS 104 HB3 LYS 104 13.345 32.174 15.345 887 HG2 LYS 104 HG2 LYS 104 14.787 34.084 17.217 888 HG3 LYS 104 HG3 LYS 104 13.946 34.553 15.735 889 HD2 LYS 104 HD2 LYS 104 11.808 33.724 16.694 890 HD3 LYS 104 HD3 LYS 104 12.655 33.238 18.166 891 HE2 LYS 104 HE2 LYS 104 12.413 36.099 17.147 892 HE3 LYS 104 HE3 LYS 104 11.450 35.388 18.444 893 HZ1 LYS 104 HZ1 LYS 104 13.269 36.668 19.345 894 HZ2 LYS 104 HZ2 LYS 104 14.401 35.759 18.476 895 HZ3 LYS 104 HZ3 LYS 104 13.496 35.029 19.702 896 H LYS 105 H LYS 105 16.351 30.489 15.742 897 HA LYS 105 HA LYS 105 16.756 29.046 14.087 898 HB2 LYS 105 HB2 LYS 105 17.242 27.644 16.010 899 HB3 LYS 105 HB3 LYS 105 15.550 27.178 16.147 900 HG2 LYS 105 HG2 LYS 105 15.671 25.953 14.033 901 HG3 LYS 105 HG3 LYS 105 17.332 26.490 13.784 902 HD2 LYS 105 HD2 LYS 105 17.178 24.144 14.657 903 HD3 LYS 105 HD3 LYS 105 18.117 25.231 15.682 904 HE2 LYS 105 HE2 LYS 105 16.655 23.745 17.010 905 HE3 LYS 105 HE3 LYS 105 16.238 25.444 17.234 906 HZ1 LYS 105 HZ1 LYS 105 14.267 24.108 16.994 907 HZ2 LYS 105 HZ2 LYS 105 14.794 23.505 15.507 908 HZ3 LYS 105 HZ3 LYS 105 14.409 25.143 15.664 909 H LYS 106 H LYS 106 15.773 29.085 12.160 910 HA LYS 106 HA LYS 106 12.888 28.912 11.921 911 HB2 LYS 106 HB2 LYS 106 13.093 29.657 9.701 912 HB3 LYS 106 HB3 LYS 106 14.439 30.455 10.493 913 HG2 LYS 106 HG2 LYS 106 14.751 27.879 8.918 914 HG3 LYS 106 HG3 LYS 106 14.847 29.466 8.163 915 HD2 LYS 106 HD2 LYS 106 16.660 28.536 10.425 916 HD3 LYS 106 HD3 LYS 106 17.063 28.425 8.706 917 HE2 LYS 106 HE2 LYS 106 16.508 30.996 10.235 918 HE3 LYS 106 HE3 LYS 106 18.090 30.405 9.725 919 HZ1 LYS 106 HZ1 LYS 106 17.305 32.046 8.180 920 HZ2 LYS 106 HZ2 LYS 106 15.863 31.199 7.930 921 HZ3 LYS 106 HZ3 LYS 106 17.329 30.538 7.411 922 H LYS 107 H LYS 107 11.950 27.538 10.196 923 HA LYS 107 HA LYS 107 13.253 24.924 9.804 924 HB2 LYS 107 HB2 LYS 107 11.568 24.704 11.625 925 HB3 LYS 107 HB3 LYS 107 10.347 25.423 10.600 926 HG2 LYS 107 HG2 LYS 107 9.856 23.128 10.614 927 HG3 LYS 107 HG3 LYS 107 10.626 23.401 9.054 928 HD2 LYS 107 HD2 LYS 107 12.231 22.406 11.433 929 HD3 LYS 107 HD3 LYS 107 11.274 21.285 10.471 930 HE2 LYS 107 HE2 LYS 107 12.572 21.951 8.454 931 HE3 LYS 107 HE3 LYS 107 13.544 23.025 9.455 932 HZ1 LYS 107 HZ1 LYS 107 14.312 21.113 10.699 933 HZ2 LYS 107 HZ2 LYS 107 14.656 20.940 9.052 934 HZ3 LYS 107 HZ3 LYS 107 13.374 20.080 9.743 935 H LEU 108 H LEU 108 12.790 24.031 7.778 936 HA LEU 108 HA LEU 108 11.771 25.791 5.737 937 HB2 LEU 108 HB2 LEU 108 13.630 23.953 5.484 938 HB3 LEU 108 HB3 LEU 108 12.309 22.818 5.356 939 HG LEU 108 HG LEU 108 13.221 23.418 3.144 940 HD11 LEU 108 HD11 LEU 108 10.864 22.796 3.247 941 HD12 LEU 108 HD12 LEU 108 11.185 23.941 1.951 942 HD13 LEU 108 HD13 LEU 108 10.408 24.493 3.443 943 HD21 LEU 108 HD21 LEU 108 12.355 26.262 3.735 944 HD22 LEU 108 HD22 LEU 108 13.008 25.664 2.205 945 HD23 LEU 108 HD23 LEU 108 14.017 25.672 3.649 946 H TRP 109 H TRP 109 9.681 26.241 6.351 947 HA TRP 109 HA TRP 109 7.650 24.242 6.768 948 HB2 TRP 109 HB2 TRP 109 7.468 27.235 6.208 949 HB3 TRP 109 HB3 TRP 109 6.075 26.217 6.514 950 HD1 TRP 109 HD1 TRP 109 9.399 26.960 8.391 951 HE1 TRP 109 HE1 TRP 109 8.861 27.322 10.864 952 HE3 TRP 109 HE3 TRP 109 4.341 26.210 8.233 953 HZ2 TRP 109 HZ2 TRP 109 6.604 27.319 12.547 954 HZ3 TRP 109 HZ3 TRP 109 3.055 26.434 10.328 955 HH2 TRP 109 HH2 TRP 109 4.168 26.986 12.447 956 H MET 110 H MET 110 5.811 24.000 5.320 957 HA MET 110 HA MET 110 6.252 24.584 2.485 958 HB2 MET 110 HB2 MET 110 5.502 22.137 2.014 959 HB3 MET 110 HB3 MET 110 7.160 22.404 2.521 960 HG2 MET 110 HG2 MET 110 6.632 21.682 4.783 961 HG3 MET 110 HG3 MET 110 4.932 21.497 4.356 962 HE1 MET 110 HE1 MET 110 4.879 20.129 1.572 963 HE2 MET 110 HE2 MET 110 3.954 19.549 2.968 964 HE3 MET 110 HE3 MET 110 4.922 18.418 2.014 965 H ALA 111 H ALA 111 4.480 25.261 1.548 966 HA ALA 111 HA ALA 111 1.902 25.150 2.947 967 HB1 ALA 111 HB1 ALA 111 1.246 26.917 1.327 968 HB2 ALA 111 HB2 ALA 111 2.845 26.812 0.580 969 HB3 ALA 111 HB3 ALA 111 2.683 27.359 2.249 970 H ILE 112 H ILE 112 1.005 23.225 2.474 971 HA ILE 112 HA ILE 112 1.150 21.970 -0.139 972 HB ILE 112 HB ILE 112 -0.628 21.190 2.228 973 HG12 ILE 112 HG12 ILE 112 2.200 20.187 1.653 974 HG13 ILE 112 HG13 ILE 112 1.765 21.309 2.938 975 HG21 ILE 112 HG21 ILE 112 0.392 19.513 -0.096 976 HG22 ILE 112 HG22 ILE 112 -1.251 20.132 0.096 977 HG23 ILE 112 HG23 ILE 112 -0.621 18.942 1.233 978 HD11 ILE 112 HD11 ILE 112 2.077 19.068 3.795 979 HD12 ILE 112 HD12 ILE 112 0.837 18.444 2.709 980 HD13 ILE 112 HD13 ILE 112 0.400 19.573 3.998 981 H GLU 113 H GLU 113 -0.151 22.700 -1.779 982 HA GLU 113 HA GLU 113 -2.457 24.372 -1.149 983 HB2 GLU 113 HB2 GLU 113 -0.929 24.976 -3.017 984 HB3 GLU 113 HB3 GLU 113 -1.374 23.496 -3.862 985 HG2 GLU 113 HG2 GLU 113 -3.701 24.287 -4.031 986 HG3 GLU 113 HG3 GLU 113 -3.276 25.756 -3.155 987 H LEU 114 H LEU 114 -4.265 23.359 -0.561 988 HA LEU 114 HA LEU 114 -5.038 20.789 -1.735 989 HB2 LEU 114 HB2 LEU 114 -5.960 22.348 0.694 990 HB3 LEU 114 HB3 LEU 114 -7.001 21.110 0.013 991 HG LEU 114 HG LEU 114 -5.806 20.090 1.809 992 HD11 LEU 114 HD11 LEU 114 -4.579 19.243 -0.826 993 HD12 LEU 114 HD12 LEU 114 -6.095 18.680 -0.120 994 HD13 LEU 114 HD13 LEU 114 -4.572 18.304 0.665 995 HD21 LEU 114 HD21 LEU 114 -3.228 21.089 0.574 996 HD22 LEU 114 HD22 LEU 114 -3.338 19.948 1.917 997 HD23 LEU 114 HD23 LEU 114 -3.940 21.601 2.108 998 H GLU 115 H GLU 115 -6.537 20.575 -3.214 999 HA GLU 115 HA GLU 115 -8.665 22.580 -3.568 1000 HB2 GLU 115 HB2 GLU 115 -8.443 22.609 -5.956 1001 HB3 GLU 115 HB3 GLU 115 -6.850 22.969 -5.285 1002 HG2 GLU 115 HG2 GLU 115 -6.053 20.746 -5.812 1003 HG3 GLU 115 HG3 GLU 115 -7.670 20.246 -6.331 1004 H ASP 116 H ASP 116 -10.451 21.627 -4.996 1005 HA ASP 116 HA ASP 116 -12.035 20.044 -5.445 1006 HB2 ASP 116 HB2 ASP 116 -10.120 19.179 -6.855 1007 HB3 ASP 116 HB3 ASP 116 -9.634 18.146 -5.521 1008 H VAL 117 H VAL 117 -11.620 20.735 -2.761 1009 HA VAL 117 HA VAL 117 -11.233 18.489 -1.059 1010 HB VAL 117 HB VAL 117 -12.538 21.117 -0.244 1011 HG11 VAL 117 HG11 VAL 117 -11.032 19.032 1.384 1012 HG12 VAL 117 HG12 VAL 117 -12.777 19.297 1.396 1013 HG13 VAL 117 HG13 VAL 117 -11.693 20.546 2.011 1014 HG21 VAL 117 HG21 VAL 117 -10.280 21.917 0.400 1015 HG22 VAL 117 HG22 VAL 117 -10.379 21.625 -1.339 1016 HG23 VAL 117 HG23 VAL 117 -9.558 20.463 -0.294 1017 H LYS 118 H LYS 118 -12.601 16.858 -1.201 1018 HA LYS 118 HA LYS 118 -15.460 17.187 -1.627 1019 HB2 LYS 118 HB2 LYS 118 -13.622 15.215 -2.366 1020 HB3 LYS 118 HB3 LYS 118 -14.452 14.440 -1.032 1021 HG2 LYS 118 HG2 LYS 118 -15.489 13.829 -3.144 1022 HG3 LYS 118 HG3 LYS 118 -16.619 14.788 -2.179 1023 HD2 LYS 118 HD2 LYS 118 -16.646 15.464 -4.564 1024 HD3 LYS 118 HD3 LYS 118 -16.118 16.785 -3.520 1025 HE2 LYS 118 HE2 LYS 118 -13.752 16.267 -4.112 1026 HE3 LYS 118 HE3 LYS 118 -14.314 15.001 -5.207 1027 HZ1 LYS 118 HZ1 LYS 118 -14.887 17.903 -5.426 1028 HZ2 LYS 118 HZ2 LYS 118 -15.509 16.710 -6.452 1029 HZ3 LYS 118 HZ3 LYS 118 -13.846 16.999 -6.404 1030 H LYS 119 H LYS 119 -17.050 16.653 -0.155 1031 HA LYS 119 HA LYS 119 -16.233 16.328 2.656 1032 HB2 LYS 119 HB2 LYS 119 -18.417 17.805 1.349 1033 HB3 LYS 119 HB3 LYS 119 -19.051 16.737 2.583 1034 HG2 LYS 119 HG2 LYS 119 -16.913 18.846 3.020 1035 HG3 LYS 119 HG3 LYS 119 -18.612 19.026 3.438 1036 HD2 LYS 119 HD2 LYS 119 -16.582 17.110 4.670 1037 HD3 LYS 119 HD3 LYS 119 -17.370 18.477 5.455 1038 HE2 LYS 119 HE2 LYS 119 -19.552 17.253 5.285 1039 HE3 LYS 119 HE3 LYS 119 -18.700 15.898 4.565 1040 HZ1 LYS 119 HZ1 LYS 119 -19.073 15.510 6.890 1041 HZ2 LYS 119 HZ2 LYS 119 -18.268 16.935 7.301 1042 HZ3 LYS 119 HZ3 LYS 119 -17.417 15.659 6.589 1043 H TYR 120 H TYR 120 -16.255 14.311 3.411 1044 HA TYR 120 HA TYR 120 -18.033 12.255 2.408 1045 HB2 TYR 120 HB2 TYR 120 -16.212 12.302 4.849 1046 HB3 TYR 120 HB3 TYR 120 -17.176 10.913 4.359 1047 HD1 TYR 120 HD1 TYR 120 -16.609 11.240 1.284 1048 HD2 TYR 120 HD2 TYR 120 -14.092 11.196 4.730 1049 HE1 TYR 120 HE1 TYR 120 -14.749 10.365 -0.067 1050 HE2 TYR 120 HE2 TYR 120 -12.244 10.331 3.379 1051 HH TYR 120 HH TYR 120 -12.392 10.174 -0.063 1052 H ASP 121 H ASP 121 -19.973 13.487 2.660 1053 HA ASP 121 HA ASP 121 -21.193 14.204 5.086 1054 HB2 ASP 121 HB2 ASP 121 -22.433 13.100 2.513 1055 HB3 ASP 121 HB3 ASP 121 -23.366 13.808 3.831 1056 H LYS 122 H LYS 122 -20.793 11.137 3.457 1057 HA LYS 122 HA LYS 122 -22.227 9.539 5.391 1058 HB2 LYS 122 HB2 LYS 122 -21.275 7.636 4.065 1059 HB3 LYS 122 HB3 LYS 122 -22.115 8.814 3.067 1060 HG2 LYS 122 HG2 LYS 122 -19.818 9.807 2.524 1061 HG3 LYS 122 HG3 LYS 122 -19.118 8.393 3.312 1062 HD2 LYS 122 HD2 LYS 122 -19.183 8.031 0.900 1063 HD3 LYS 122 HD3 LYS 122 -20.311 6.926 1.692 1064 HE2 LYS 122 HE2 LYS 122 -22.200 8.338 1.057 1065 HE3 LYS 122 HE3 LYS 122 -21.112 9.551 0.380 1066 HZ1 LYS 122 HZ1 LYS 122 -20.430 7.975 -1.290 1067 HZ2 LYS 122 HZ2 LYS 122 -22.112 8.152 -1.319 1068 HZ3 LYS 122 HZ3 LYS 122 -21.416 6.773 -0.625 1069 HA PRO 123 HA PRO 123 -18.750 9.418 8.258 1070 HB2 PRO 123 HB2 PRO 123 -19.622 7.501 9.974 1071 HB3 PRO 123 HB3 PRO 123 -20.415 9.079 9.859 1072 HG2 PRO 123 HG2 PRO 123 -21.243 6.449 8.645 1073 HG3 PRO 123 HG3 PRO 123 -22.246 7.680 9.440 1074 HD2 PRO 123 HD2 PRO 123 -21.995 7.435 6.691 1075 HD3 PRO 123 HD3 PRO 123 -22.422 8.951 7.516 1076 H ILE 124 H ILE 124 -17.057 8.706 6.912 1077 HA ILE 124 HA ILE 124 -16.669 5.821 6.495 1078 HB ILE 124 HB ILE 124 -15.045 8.173 5.427 1079 HG12 ILE 124 HG12 ILE 124 -17.206 6.449 4.138 1080 HG13 ILE 124 HG13 ILE 124 -17.254 8.185 4.422 1081 HG21 ILE 124 HG21 ILE 124 -13.936 6.544 3.941 1082 HG22 ILE 124 HG22 ILE 124 -14.824 5.225 4.706 1083 HG23 ILE 124 HG23 ILE 124 -13.648 6.153 5.638 1084 HD11 ILE 124 HD11 ILE 124 -15.452 8.466 2.768 1085 HD12 ILE 124 HD12 ILE 124 -16.905 7.730 2.098 1086 HD13 ILE 124 HD13 ILE 124 -15.498 6.729 2.454 1087 H LYS 125 H LYS 125 -15.379 4.661 7.755 1088 HA LYS 125 HA LYS 125 -13.878 5.985 9.915 1089 HB2 LYS 125 HB2 LYS 125 -14.932 3.135 9.644 1090 HB3 LYS 125 HB3 LYS 125 -13.862 3.634 10.945 1091 HG2 LYS 125 HG2 LYS 125 -16.074 3.647 11.833 1092 HG3 LYS 125 HG3 LYS 125 -15.592 5.334 11.633 1093 HD2 LYS 125 HD2 LYS 125 -16.895 5.377 9.473 1094 HD3 LYS 125 HD3 LYS 125 -17.448 3.737 9.824 1095 HE2 LYS 125 HE2 LYS 125 -17.986 6.195 11.531 1096 HE3 LYS 125 HE3 LYS 125 -19.138 5.422 10.441 1097 HZ1 LYS 125 HZ1 LYS 125 -17.920 4.177 12.846 1098 HZ2 LYS 125 HZ2 LYS 125 -18.995 3.415 11.790 1099 HZ3 LYS 125 HZ3 LYS 125 -19.510 4.733 12.710 1100 HA PRO 126 HA PRO 126 -9.979 4.729 8.009 1101 HB2 PRO 126 HB2 PRO 126 -8.282 5.057 10.105 1102 HB3 PRO 126 HB3 PRO 126 -9.045 6.439 9.304 1103 HG2 PRO 126 HG2 PRO 126 -9.865 5.034 11.842 1104 HG3 PRO 126 HG3 PRO 126 -9.715 6.778 11.535 1105 HD2 PRO 126 HD2 PRO 126 -12.118 5.487 11.452 1106 HD3 PRO 126 HD3 PRO 126 -11.761 6.891 10.421 1107 H LYS 127 H LYS 127 -8.410 3.043 8.073 1108 HA LYS 127 HA LYS 127 -9.377 0.530 9.166 1109 HB2 LYS 127 HB2 LYS 127 -7.007 1.195 7.364 1110 HB3 LYS 127 HB3 LYS 127 -7.340 -0.433 7.927 1111 HG2 LYS 127 HG2 LYS 127 -8.185 -0.263 5.701 1112 HG3 LYS 127 HG3 LYS 127 -9.575 -0.318 6.786 1113 HD2 LYS 127 HD2 LYS 127 -9.797 2.157 6.585 1114 HD3 LYS 127 HD3 LYS 127 -8.427 2.177 5.471 1115 HE2 LYS 127 HE2 LYS 127 -9.706 0.768 3.889 1116 HE3 LYS 127 HE3 LYS 127 -11.078 0.767 5.005 1117 HZ1 LYS 127 HZ1 LYS 127 -9.895 3.182 3.751 1118 HZ2 LYS 127 HZ2 LYS 127 -11.266 3.144 4.738 1119 HZ3 LYS 127 HZ3 LYS 127 -11.293 2.401 3.221 1120 H ARG 128 H ARG 128 -7.388 2.967 10.315 1121 HA ARG 128 HA ARG 128 -6.328 1.377 12.511 1122 HB2 ARG 128 HB2 ARG 128 -3.986 2.073 12.138 1123 HB3 ARG 128 HB3 ARG 128 -4.568 1.128 10.769 1124 HG2 ARG 128 HG2 ARG 128 -4.906 3.219 9.470 1125 HG3 ARG 128 HG3 ARG 128 -4.319 4.166 10.844 1126 HD2 ARG 128 HD2 ARG 128 -2.699 2.081 9.333 1127 HD3 ARG 128 HD3 ARG 128 -2.577 3.828 9.114 1128 HE ARG 128 HE ARG 128 -1.732 4.011 11.368 1129 HH11 ARG 128 HH11 ARG 128 -1.836 0.702 10.175 1130 HH12 ARG 128 HH12 ARG 128 -0.565 0.158 11.214 1131 HH21 ARG 128 HH21 ARG 128 -0.051 3.284 12.731 1132 HH22 ARG 128 HH22 ARG 128 0.457 1.627 12.661 1133 H LEU 129 H LEU 129 -5.064 2.851 14.014 1134 HA LEU 129 HA LEU 129 -6.557 5.230 14.554 1135 HB2 LEU 129 HB2 LEU 129 -5.369 3.582 16.238 1136 HB3 LEU 129 HB3 LEU 129 -3.947 4.554 15.937 1137 HG LEU 129 HG LEU 129 -5.165 5.186 18.022 1138 HD11 LEU 129 HD11 LEU 129 -5.162 7.418 15.988 1139 HD12 LEU 129 HD12 LEU 129 -3.783 6.877 16.950 1140 HD13 LEU 129 HD13 LEU 129 -5.180 7.592 17.748 1141 HD21 LEU 129 HD21 LEU 129 -7.404 6.068 16.186 1142 HD22 LEU 129 HD22 LEU 129 -7.337 6.284 17.938 1143 HD23 LEU 129 HD23 LEU 129 -7.440 4.663 17.251 1144 H VAL 130 H VAL 130 -6.253 7.065 13.548 1145 HA VAL 130 HA VAL 130 -3.612 7.783 12.433 1146 HB VAL 130 HB VAL 130 -6.271 9.188 11.890 1147 HG11 VAL 130 HG11 VAL 130 -3.624 9.329 10.384 1148 HG12 VAL 130 HG12 VAL 130 -4.261 10.565 11.465 1149 HG13 VAL 130 HG13 VAL 130 -5.108 10.196 9.963 1150 HG21 VAL 130 HG21 VAL 130 -4.942 7.055 10.167 1151 HG22 VAL 130 HG22 VAL 130 -6.378 7.988 9.733 1152 HG23 VAL 130 HG23 VAL 130 -6.437 6.859 11.088 1153 HA PRO 131 HA PRO 131 -3.689 10.397 16.247 1154 HB2 PRO 131 HB2 PRO 131 -1.038 10.466 16.695 1155 HB3 PRO 131 HB3 PRO 131 -1.966 8.989 17.005 1156 HG2 PRO 131 HG2 PRO 131 -0.294 9.698 14.584 1157 HG3 PRO 131 HG3 PRO 131 -0.288 8.198 15.540 1158 HD2 PRO 131 HD2 PRO 131 -1.695 8.449 13.199 1159 HD3 PRO 131 HD3 PRO 131 -2.221 7.387 14.528 1160 H VAL 132 H VAL 132 -2.143 12.387 16.772 1161 HA VAL 132 HA VAL 132 -2.822 14.455 15.008 1162 HB VAL 132 HB VAL 132 -2.488 14.757 17.452 1163 HG11 VAL 132 HG11 VAL 132 0.493 14.526 16.910 1164 HG12 VAL 132 HG12 VAL 132 -0.496 13.367 17.798 1165 HG13 VAL 132 HG13 VAL 132 -0.243 14.988 18.447 1166 HG21 VAL 132 HG21 VAL 132 -2.496 16.755 16.015 1167 HG22 VAL 132 HG22 VAL 132 -0.747 16.635 15.805 1168 HG23 VAL 132 HG23 VAL 132 -1.424 16.988 17.396 1169 H GLY 133 H GLY 133 0.087 12.508 15.186 1170 HA2 GLY 133 HA2 GLY 133 1.816 14.063 13.544 1171 HA3 GLY 133 HA3 GLY 133 1.957 12.339 13.864 1172 H GLY 134 H GLY 134 -0.794 11.856 12.825 1173 HA2 GLY 134 HA2 GLY 134 -1.987 11.609 10.862 1174 HA3 GLY 134 HA3 GLY 134 -0.801 12.584 10.018 1175 H GLN 135 H GLN 135 -2.048 10.008 9.242 1176 HA GLN 135 HA GLN 135 0.327 8.237 9.053 1177 HB2 GLN 135 HB2 GLN 135 -2.617 7.524 8.625 1178 HB3 GLN 135 HB3 GLN 135 -1.266 6.401 8.505 1179 HG2 GLN 135 HG2 GLN 135 -2.178 7.833 11.013 1180 HG3 GLN 135 HG3 GLN 135 -2.497 6.147 10.610 1181 HE21 GLN 135 HE21 GLN 135 -0.109 8.441 11.683 1182 HE22 GLN 135 HE22 GLN 135 1.078 7.297 12.176 1183 H TYR 136 H TYR 136 1.083 7.680 7.059 1184 HA TYR 136 HA TYR 136 0.158 9.103 4.718 1185 HB2 TYR 136 HB2 TYR 136 2.492 7.279 5.289 1186 HB3 TYR 136 HB3 TYR 136 1.974 7.447 3.615 1187 HD1 TYR 136 HD1 TYR 136 1.430 10.065 2.989 1188 HD2 TYR 136 HD2 TYR 136 4.285 8.740 5.892 1189 HE1 TYR 136 HE1 TYR 136 2.663 12.169 2.735 1190 HE2 TYR 136 HE2 TYR 136 5.511 10.863 5.635 1191 HH TYR 136 HH TYR 136 5.768 12.611 3.794 1192 H LEU 137 H LEU 137 -1.665 8.503 3.851 1193 HA LEU 137 HA LEU 137 -2.724 5.834 3.843 1194 HB2 LEU 137 HB2 LEU 137 -3.929 8.247 3.671 1195 HB3 LEU 137 HB3 LEU 137 -3.745 7.964 1.957 1196 HG LEU 137 HG LEU 137 -5.440 6.418 3.951 1197 HD11 LEU 137 HD11 LEU 137 -6.445 8.422 3.017 1198 HD12 LEU 137 HD12 LEU 137 -7.283 6.988 2.431 1199 HD13 LEU 137 HD13 LEU 137 -6.155 7.845 1.372 1200 HD21 LEU 137 HD21 LEU 137 -4.365 4.682 2.597 1201 HD22 LEU 137 HD22 LEU 137 -4.856 5.493 1.113 1202 HD23 LEU 137 HD23 LEU 137 -6.075 4.810 2.190 1203 H ARG 138 H ARG 138 -1.894 4.307 2.525 1204 HA ARG 138 HA ARG 138 -1.179 5.028 -0.247 1205 HB2 ARG 138 HB2 ARG 138 0.643 3.484 -0.310 1206 HB3 ARG 138 HB3 ARG 138 0.892 4.506 1.089 1207 HG2 ARG 138 HG2 ARG 138 -0.135 1.645 1.149 1208 HG3 ARG 138 HG3 ARG 138 1.534 2.144 1.439 1209 HD2 ARG 138 HD2 ARG 138 0.726 3.518 3.393 1210 HD3 ARG 138 HD3 ARG 138 -0.878 2.812 3.155 1211 HE ARG 138 HE ARG 138 0.022 0.662 3.712 1212 HH11 ARG 138 HH11 ARG 138 2.295 3.288 4.344 1213 HH12 ARG 138 HH12 ARG 138 3.190 2.380 5.518 1214 HH21 ARG 138 HH21 ARG 138 1.236 -0.511 5.243 1215 HH22 ARG 138 HH22 ARG 138 2.595 0.235 6.017 1216 H GLU 139 H GLU 139 -2.093 3.802 -1.815 1217 HA GLU 139 HA GLU 139 -3.727 1.474 -0.947 1218 HB2 GLU 139 HB2 GLU 139 -4.953 3.780 -1.436 1219 HB3 GLU 139 HB3 GLU 139 -4.654 3.380 -3.118 1220 HG2 GLU 139 HG2 GLU 139 -6.874 2.684 -2.588 1221 HG3 GLU 139 HG3 GLU 139 -5.885 1.238 -2.795 Start of MODEL 20 1 H MET 1 H MET 1 -0.181 -0.116 -0.169 2 HA MET 1 HA MET 1 1.165 -1.385 -1.667 3 HB2 MET 1 HB2 MET 1 -0.688 -1.379 -3.441 4 HB3 MET 1 HB3 MET 1 -0.149 0.227 -3.891 5 HG2 MET 1 HG2 MET 1 1.632 -2.221 -4.023 6 HG3 MET 1 HG3 MET 1 0.663 -1.639 -5.375 7 HE1 MET 1 HE1 MET 1 2.791 -1.434 -6.957 8 HE2 MET 1 HE2 MET 1 3.830 -2.055 -5.669 9 HE3 MET 1 HE3 MET 1 4.259 -0.566 -6.513 10 H SER 2 H SER 2 3.220 -0.497 -2.354 11 HA SER 2 HA SER 2 4.009 1.773 -0.896 12 HB2 SER 2 HB2 SER 2 5.500 0.279 -3.086 13 HB3 SER 2 HB3 SER 2 6.243 1.389 -1.932 14 HG SER 2 HG SER 2 5.746 -0.003 -0.283 15 H LYS 3 H LYS 3 2.579 1.749 -3.976 16 HA LYS 3 HA LYS 3 3.677 3.996 -5.269 17 HB2 LYS 3 HB2 LYS 3 1.429 4.160 -6.413 18 HB3 LYS 3 HB3 LYS 3 2.143 2.552 -6.476 19 HG2 LYS 3 HG2 LYS 3 0.625 1.667 -4.902 20 HG3 LYS 3 HG3 LYS 3 0.136 3.258 -4.318 21 HD2 LYS 3 HD2 LYS 3 -0.463 2.305 -7.143 22 HD3 LYS 3 HD3 LYS 3 -1.539 1.976 -5.781 23 HE2 LYS 3 HE2 LYS 3 -1.711 4.439 -5.369 24 HE3 LYS 3 HE3 LYS 3 -0.731 4.719 -6.811 25 HZ1 LYS 3 HZ1 LYS 3 -3.118 4.937 -7.199 26 HZ2 LYS 3 HZ2 LYS 3 -3.345 3.319 -6.765 27 HZ3 LYS 3 HZ3 LYS 3 -2.441 3.710 -8.141 28 H ILE 4 H ILE 4 1.821 3.833 -2.368 29 HA ILE 4 HA ILE 4 0.853 5.299 -0.953 30 HB ILE 4 HB ILE 4 2.232 7.501 -2.570 31 HG12 ILE 4 HG12 ILE 4 3.863 5.828 -1.781 32 HG13 ILE 4 HG13 ILE 4 4.088 7.347 -0.926 33 HG21 ILE 4 HG21 ILE 4 1.241 7.655 0.314 34 HG22 ILE 4 HG22 ILE 4 0.565 8.520 -1.066 35 HG23 ILE 4 HG23 ILE 4 2.195 8.897 -0.513 36 HD11 ILE 4 HD11 ILE 4 2.730 4.873 0.143 37 HD12 ILE 4 HD12 ILE 4 2.906 6.395 1.021 38 HD13 ILE 4 HD13 ILE 4 4.334 5.466 0.566 39 H VAL 5 H VAL 5 -0.851 7.343 -1.080 40 HA VAL 5 HA VAL 5 -1.776 7.948 -3.783 41 HB VAL 5 HB VAL 5 -4.236 8.059 -2.932 42 HG11 VAL 5 HG11 VAL 5 -4.756 5.764 -3.626 43 HG12 VAL 5 HG12 VAL 5 -3.051 5.318 -3.474 44 HG13 VAL 5 HG13 VAL 5 -3.551 6.500 -4.687 45 HG21 VAL 5 HG21 VAL 5 -3.197 6.044 -0.911 46 HG22 VAL 5 HG22 VAL 5 -4.894 6.433 -1.197 47 HG23 VAL 5 HG23 VAL 5 -3.805 7.661 -0.549 48 H GLY 6 H GLY 6 -1.793 8.640 -0.306 49 HA2 GLY 6 HA2 GLY 6 -1.307 11.410 -0.720 50 HA3 GLY 6 HA3 GLY 6 -2.959 11.103 -0.203 51 H VAL 7 H VAL 7 -2.349 12.428 1.599 52 HA VAL 7 HA VAL 7 -1.278 10.813 3.821 53 HB VAL 7 HB VAL 7 0.464 12.486 3.161 54 HG11 VAL 7 HG11 VAL 7 -1.566 14.625 3.891 55 HG12 VAL 7 HG12 VAL 7 -0.953 14.278 2.272 56 HG13 VAL 7 HG13 VAL 7 0.137 14.902 3.510 57 HG21 VAL 7 HG21 VAL 7 0.898 13.417 5.414 58 HG22 VAL 7 HG22 VAL 7 0.366 11.736 5.501 59 HG23 VAL 7 HG23 VAL 7 -0.760 13.039 5.891 60 H THR 8 H THR 8 -2.331 11.202 5.813 61 HA THR 8 HA THR 8 -4.842 12.744 5.704 62 HB THR 8 HB THR 8 -5.506 10.417 5.553 63 HG1 THR 8 HG1 THR 8 -6.827 11.638 6.909 64 HG21 THR 8 HG21 THR 8 -3.496 9.306 6.436 65 HG22 THR 8 HG22 THR 8 -4.944 8.724 7.262 66 HG23 THR 8 HG23 THR 8 -3.876 9.881 8.063 67 H TYR 9 H TYR 9 -5.396 13.895 7.516 68 HA TYR 9 HA TYR 9 -3.660 13.855 9.881 69 HB2 TYR 9 HB2 TYR 9 -4.013 16.167 7.982 70 HB3 TYR 9 HB3 TYR 9 -4.019 16.557 9.695 71 HD1 TYR 9 HD1 TYR 9 -1.953 15.175 6.931 72 HD2 TYR 9 HD2 TYR 9 -1.995 16.475 11.001 73 HE1 TYR 9 HE1 TYR 9 0.500 15.166 6.964 74 HE2 TYR 9 HE2 TYR 9 0.454 16.465 11.031 75 HH TYR 9 HH TYR 9 2.284 15.177 9.705 76 HA PRO 10 HA PRO 10 -7.586 14.132 12.053 77 HB2 PRO 10 HB2 PRO 10 -6.072 15.450 14.264 78 HB3 PRO 10 HB3 PRO 10 -6.978 13.934 14.275 79 HG2 PRO 10 HG2 PRO 10 -4.276 13.991 14.339 80 HG3 PRO 10 HG3 PRO 10 -5.170 12.692 13.525 81 HD2 PRO 10 HD2 PRO 10 -3.768 15.068 12.322 82 HD3 PRO 10 HD3 PRO 10 -3.856 13.394 11.742 83 H ILE 11 H ILE 11 -5.351 16.898 12.219 84 HA ILE 11 HA ILE 11 -5.576 19.117 12.589 85 HB ILE 11 HB ILE 11 -8.025 18.925 10.774 86 HG12 ILE 11 HG12 ILE 11 -5.093 19.208 9.943 87 HG13 ILE 11 HG13 ILE 11 -6.066 17.754 9.753 88 HG21 ILE 11 HG21 ILE 11 -7.774 21.130 11.853 89 HG22 ILE 11 HG22 ILE 11 -7.477 21.254 10.120 90 HG23 ILE 11 HG23 ILE 11 -6.120 21.257 11.249 91 HD11 ILE 11 HD11 ILE 11 -5.845 18.936 7.656 92 HD12 ILE 11 HD12 ILE 11 -6.539 20.394 8.363 93 HD13 ILE 11 HD13 ILE 11 -7.527 18.940 8.184 94 HA PRO 12 HA PRO 12 -8.880 18.413 15.834 95 HB2 PRO 12 HB2 PRO 12 -7.367 18.425 18.049 96 HB3 PRO 12 HB3 PRO 12 -7.326 17.039 16.947 97 HG2 PRO 12 HG2 PRO 12 -5.374 19.333 17.183 98 HG3 PRO 12 HG3 PRO 12 -5.035 17.595 17.039 99 HD2 PRO 12 HD2 PRO 12 -4.990 19.370 14.900 100 HD3 PRO 12 HD3 PRO 12 -5.260 17.624 14.733 101 H LYS 13 H LYS 13 -8.400 20.890 14.528 102 HA LYS 13 HA LYS 13 -8.490 22.932 16.676 103 HB2 LYS 13 HB2 LYS 13 -7.245 23.258 13.903 104 HB3 LYS 13 HB3 LYS 13 -7.311 24.489 15.161 105 HG2 LYS 13 HG2 LYS 13 -5.740 21.893 15.299 106 HG3 LYS 13 HG3 LYS 13 -5.069 23.487 14.945 107 HD2 LYS 13 HD2 LYS 13 -5.735 24.256 17.215 108 HD3 LYS 13 HD3 LYS 13 -6.402 22.658 17.559 109 HE2 LYS 13 HE2 LYS 13 -4.129 21.676 17.292 110 HE3 LYS 13 HE3 LYS 13 -3.476 23.293 17.004 111 HZ1 LYS 13 HZ1 LYS 13 -3.144 22.646 19.282 112 HZ2 LYS 13 HZ2 LYS 13 -4.794 22.343 19.487 113 HZ3 LYS 13 HZ3 LYS 13 -4.252 23.925 19.226 114 H ARG 14 H ARG 14 -9.525 24.982 15.824 115 HA ARG 14 HA ARG 14 -12.088 24.622 14.686 116 HB2 ARG 14 HB2 ARG 14 -12.129 27.153 14.625 117 HB3 ARG 14 HB3 ARG 14 -11.686 26.472 16.186 118 HG2 ARG 14 HG2 ARG 14 -9.287 26.907 15.690 119 HG3 ARG 14 HG3 ARG 14 -9.743 27.642 14.153 120 HD2 ARG 14 HD2 ARG 14 -10.827 29.482 15.267 121 HD3 ARG 14 HD3 ARG 14 -10.743 28.673 16.836 122 HE ARG 14 HE ARG 14 -8.457 29.866 15.366 123 HH11 ARG 14 HH11 ARG 14 -9.829 28.670 18.375 124 HH12 ARG 14 HH12 ARG 14 -8.489 29.210 19.326 125 HH21 ARG 14 HH21 ARG 14 -6.701 30.527 16.633 126 HH22 ARG 14 HH22 ARG 14 -6.718 30.252 18.345 127 H PHE 15 H PHE 15 -9.059 24.807 13.187 128 HA PHE 15 HA PHE 15 -9.816 26.165 10.746 129 HB2 PHE 15 HB2 PHE 15 -7.266 24.613 11.327 130 HB3 PHE 15 HB3 PHE 15 -7.507 25.847 10.094 131 HD1 PHE 15 HD1 PHE 15 -8.503 28.189 11.264 132 HD2 PHE 15 HD2 PHE 15 -5.914 25.318 13.096 133 HE1 PHE 15 HE1 PHE 15 -7.689 29.905 12.826 134 HE2 PHE 15 HE2 PHE 15 -5.109 27.042 14.653 135 HZ PHE 15 HZ PHE 15 -5.996 29.333 14.521 136 H MET 16 H MET 16 -10.458 23.111 11.801 137 HA MET 16 HA MET 16 -9.915 21.342 9.708 138 HB2 MET 16 HB2 MET 16 -11.880 20.025 10.613 139 HB3 MET 16 HB3 MET 16 -10.719 20.515 11.839 140 HG2 MET 16 HG2 MET 16 -12.216 22.381 12.492 141 HG3 MET 16 HG3 MET 16 -13.389 21.834 11.294 142 HE1 MET 16 HE1 MET 16 -15.104 21.977 13.459 143 HE2 MET 16 HE2 MET 16 -13.766 22.302 14.564 144 HE3 MET 16 HE3 MET 16 -14.890 20.986 14.903 145 H ASP 17 H ASP 17 -12.478 23.752 10.023 146 HA ASP 17 HA ASP 17 -14.135 22.695 7.893 147 HB2 ASP 17 HB2 ASP 17 -14.336 25.266 9.506 148 HB3 ASP 17 HB3 ASP 17 -15.568 24.698 8.382 149 H ARG 18 H ARG 18 -11.439 24.757 7.938 150 HA ARG 18 HA ARG 18 -11.955 26.820 6.126 151 HB2 ARG 18 HB2 ARG 18 -9.404 25.259 6.737 152 HB3 ARG 18 HB3 ARG 18 -9.413 26.681 5.697 153 HG2 ARG 18 HG2 ARG 18 -10.414 26.718 8.557 154 HG3 ARG 18 HG3 ARG 18 -8.746 27.081 8.104 155 HD2 ARG 18 HD2 ARG 18 -11.104 28.569 6.913 156 HD3 ARG 18 HD3 ARG 18 -10.326 29.079 8.416 157 HE ARG 18 HE ARG 18 -8.381 28.773 6.380 158 HH11 ARG 18 HH11 ARG 18 -11.079 30.926 7.133 159 HH12 ARG 18 HH12 ARG 18 -10.284 32.322 6.483 160 HH21 ARG 18 HH21 ARG 18 -7.398 30.646 5.502 161 HH22 ARG 18 HH22 ARG 18 -8.221 32.166 5.581 162 H PHE 19 H PHE 19 -10.834 23.541 5.449 163 HA PHE 19 HA PHE 19 -10.307 23.913 2.675 164 HB2 PHE 19 HB2 PHE 19 -10.766 21.311 4.212 165 HB3 PHE 19 HB3 PHE 19 -9.990 21.452 2.635 166 HD1 PHE 19 HD1 PHE 19 -9.586 22.157 6.266 167 HD2 PHE 19 HD2 PHE 19 -7.663 22.070 2.446 168 HE1 PHE 19 HE1 PHE 19 -7.400 22.445 7.355 169 HE2 PHE 19 HE2 PHE 19 -5.484 22.351 3.543 170 HZ PHE 19 HZ PHE 19 -5.352 22.551 5.990 171 H PHE 20 H PHE 20 -13.143 23.040 4.518 172 HA PHE 20 HA PHE 20 -14.679 22.129 2.175 173 HB2 PHE 20 HB2 PHE 20 -15.548 22.299 5.099 174 HB3 PHE 20 HB3 PHE 20 -16.328 21.381 3.810 175 HD1 PHE 20 HD1 PHE 20 -14.966 19.485 2.705 176 HD2 PHE 20 HD2 PHE 20 -13.863 21.258 6.433 177 HE1 PHE 20 HE1 PHE 20 -13.542 17.552 3.208 178 HE2 PHE 20 HE2 PHE 20 -12.433 19.320 6.919 179 HZ PHE 20 HZ PHE 20 -12.274 17.467 5.308 180 H LYS 21 H LYS 21 -14.100 24.943 4.017 181 HA LYS 21 HA LYS 21 -16.550 26.370 3.686 182 HB2 LYS 21 HB2 LYS 21 -14.879 26.884 5.453 183 HB3 LYS 21 HB3 LYS 21 -13.704 27.353 4.240 184 HG2 LYS 21 HG2 LYS 21 -16.328 28.838 4.483 185 HG3 LYS 21 HG3 LYS 21 -15.006 29.179 5.596 186 HD2 LYS 21 HD2 LYS 21 -13.549 29.798 3.701 187 HD3 LYS 21 HD3 LYS 21 -14.843 29.426 2.560 188 HE2 LYS 21 HE2 LYS 21 -16.228 31.216 3.638 189 HE3 LYS 21 HE3 LYS 21 -14.841 31.623 4.654 190 HZ1 LYS 21 HZ1 LYS 21 -14.921 31.753 1.688 191 HZ2 LYS 21 HZ2 LYS 21 -13.585 32.132 2.650 192 HZ3 LYS 21 HZ3 LYS 21 -14.986 33.075 2.743 193 H LYS 22 H LYS 22 -13.427 26.353 1.962 194 HA LYS 22 HA LYS 22 -14.583 28.082 -0.182 195 HB2 LYS 22 HB2 LYS 22 -12.205 28.693 -0.651 196 HB3 LYS 22 HB3 LYS 22 -12.745 29.119 0.969 197 HG2 LYS 22 HG2 LYS 22 -11.665 26.851 1.683 198 HG3 LYS 22 HG3 LYS 22 -10.841 26.932 0.127 199 HD2 LYS 22 HD2 LYS 22 -9.417 27.830 1.893 200 HD3 LYS 22 HD3 LYS 22 -9.860 29.121 0.770 201 HE2 LYS 22 HE2 LYS 22 -11.502 29.970 2.364 202 HE3 LYS 22 HE3 LYS 22 -11.212 28.599 3.443 203 HZ1 LYS 22 HZ1 LYS 22 -10.032 30.566 4.162 204 HZ2 LYS 22 HZ2 LYS 22 -9.210 30.649 2.690 205 HZ3 LYS 22 HZ3 LYS 22 -8.949 29.338 3.732 206 H GLY 23 H GLY 23 -13.461 24.892 0.399 207 HA2 GLY 23 HA2 GLY 23 -13.394 23.052 -0.974 208 HA3 GLY 23 HA3 GLY 23 -13.960 24.049 -2.303 209 H LYS 24 H LYS 24 -11.219 25.387 -0.876 210 HA LYS 24 HA LYS 24 -9.103 23.938 -2.049 211 HB2 LYS 24 HB2 LYS 24 -8.431 25.606 -3.815 212 HB3 LYS 24 HB3 LYS 24 -9.883 24.691 -4.186 213 HG2 LYS 24 HG2 LYS 24 -11.201 26.743 -3.320 214 HG3 LYS 24 HG3 LYS 24 -9.663 27.608 -3.398 215 HD2 LYS 24 HD2 LYS 24 -10.872 28.034 -5.454 216 HD3 LYS 24 HD3 LYS 24 -9.502 26.986 -5.836 217 HE2 LYS 24 HE2 LYS 24 -11.546 26.247 -7.004 218 HE3 LYS 24 HE3 LYS 24 -11.008 25.023 -5.853 219 HZ1 LYS 24 HZ1 LYS 24 -13.407 25.364 -5.765 220 HZ2 LYS 24 HZ2 LYS 24 -13.184 26.997 -5.379 221 HZ3 LYS 24 HZ3 LYS 24 -12.687 25.800 -4.295 222 H ASP 25 H ASP 25 -8.139 24.178 -0.100 223 HA ASP 25 HA ASP 25 -7.434 26.893 0.892 224 HB2 ASP 25 HB2 ASP 25 -9.196 25.643 2.211 225 HB3 ASP 25 HB3 ASP 25 -8.027 24.372 2.509 226 H VAL 26 H VAL 26 -5.444 26.335 2.687 227 HA VAL 26 HA VAL 26 -3.465 24.646 1.289 228 HB VAL 26 HB VAL 26 -3.069 27.575 2.045 229 HG11 VAL 26 HG11 VAL 26 -0.858 25.587 1.366 230 HG12 VAL 26 HG12 VAL 26 -1.104 26.385 2.921 231 HG13 VAL 26 HG13 VAL 26 -0.651 27.337 1.508 232 HG21 VAL 26 HG21 VAL 26 -3.967 27.155 -0.214 233 HG22 VAL 26 HG22 VAL 26 -2.591 26.111 -0.578 234 HG23 VAL 26 HG23 VAL 26 -2.339 27.837 -0.297 235 H PHE 27 H PHE 27 -2.685 23.231 2.675 236 HA PHE 27 HA PHE 27 -2.759 23.740 5.569 237 HB2 PHE 27 HB2 PHE 27 -3.713 21.575 4.640 238 HB3 PHE 27 HB3 PHE 27 -2.087 21.121 4.146 239 HD1 PHE 27 HD1 PHE 27 -4.151 22.006 7.130 240 HD2 PHE 27 HD2 PHE 27 -0.632 20.039 5.715 241 HE1 PHE 27 HE1 PHE 27 -3.781 21.066 9.360 242 HE2 PHE 27 HE2 PHE 27 -0.277 19.099 7.955 243 HZ PHE 27 HZ PHE 27 -1.841 19.610 9.781 244 H VAL 28 H VAL 28 -0.970 24.741 6.328 245 HA VAL 28 HA VAL 28 1.640 24.318 5.087 246 HB VAL 28 HB VAL 28 2.497 26.009 6.757 247 HG11 VAL 28 HG11 VAL 28 1.874 26.707 4.491 248 HG12 VAL 28 HG12 VAL 28 1.444 27.970 5.645 249 HG13 VAL 28 HG13 VAL 28 0.190 26.916 4.985 250 HG21 VAL 28 HG21 VAL 28 -0.444 26.350 7.496 251 HG22 VAL 28 HG22 VAL 28 0.885 27.395 8.021 252 HG23 VAL 28 HG23 VAL 28 0.827 25.714 8.547 253 H LYS 29 H LYS 29 3.305 23.293 5.959 254 HA LYS 29 HA LYS 29 3.079 21.880 8.539 255 HB2 LYS 29 HB2 LYS 29 4.044 20.865 5.840 256 HB3 LYS 29 HB3 LYS 29 4.574 20.089 7.324 257 HG2 LYS 29 HG2 LYS 29 1.618 20.410 6.835 258 HG3 LYS 29 HG3 LYS 29 2.505 19.181 5.934 259 HD2 LYS 29 HD2 LYS 29 1.584 18.122 7.879 260 HD3 LYS 29 HD3 LYS 29 3.323 18.241 8.112 261 HE2 LYS 29 HE2 LYS 29 2.877 20.294 9.542 262 HE3 LYS 29 HE3 LYS 29 1.158 19.909 9.438 263 HZ1 LYS 29 HZ1 LYS 29 1.930 18.956 11.418 264 HZ2 LYS 29 HZ2 LYS 29 3.324 18.338 10.691 265 HZ3 LYS 29 HZ3 LYS 29 1.819 17.659 10.334 266 HA PRO 30 HA PRO 30 7.201 23.830 9.082 267 HB2 PRO 30 HB2 PRO 30 7.341 22.576 11.728 268 HB3 PRO 30 HB3 PRO 30 7.100 24.278 11.336 269 HG2 PRO 30 HG2 PRO 30 5.156 22.697 12.469 270 HG3 PRO 30 HG3 PRO 30 4.801 24.116 11.461 271 HD2 PRO 30 HD2 PRO 30 4.793 21.196 10.694 272 HD3 PRO 30 HD3 PRO 30 3.631 22.484 10.274 273 H ALA 31 H ALA 31 7.256 21.693 7.435 274 HA ALA 31 HA ALA 31 8.182 19.804 6.660 275 HB1 ALA 31 HB1 ALA 31 10.530 19.296 7.252 276 HB2 ALA 31 HB2 ALA 31 10.441 20.448 8.589 277 HB3 ALA 31 HB3 ALA 31 10.293 21.013 6.926 278 H THR 32 H THR 32 6.414 18.577 7.611 279 HA THR 32 HA THR 32 7.407 16.573 9.564 280 HB THR 32 HB THR 32 4.484 17.151 8.901 281 HG1 THR 32 HG1 THR 32 6.178 18.213 10.885 282 HG21 THR 32 HG21 THR 32 3.985 15.811 10.914 283 HG22 THR 32 HG22 THR 32 5.705 15.484 11.133 284 HG23 THR 32 HG23 THR 32 4.859 14.852 9.718 285 H VAL 33 H VAL 33 4.868 16.656 7.074 286 HA VAL 33 HA VAL 33 5.872 14.152 5.894 287 HB VAL 33 HB VAL 33 3.650 14.075 4.731 288 HG11 VAL 33 HG11 VAL 33 3.982 12.897 6.855 289 HG12 VAL 33 HG12 VAL 33 2.328 13.495 6.735 290 HG13 VAL 33 HG13 VAL 33 3.496 14.337 7.757 291 HG21 VAL 33 HG21 VAL 33 2.943 16.531 6.408 292 HG22 VAL 33 HG22 VAL 33 1.805 15.587 5.439 293 HG23 VAL 33 HG23 VAL 33 3.100 16.488 4.649 294 H TRP 34 H TRP 34 6.871 14.197 3.927 295 HA TRP 34 HA TRP 34 6.539 16.315 2.014 296 HB2 TRP 34 HB2 TRP 34 8.042 17.467 3.653 297 HB3 TRP 34 HB3 TRP 34 9.230 16.182 3.457 298 HD1 TRP 34 HD1 TRP 34 7.490 18.897 1.252 299 HE1 TRP 34 HE1 TRP 34 9.133 19.609 -0.590 300 HE3 TRP 34 HE3 TRP 34 11.340 15.676 2.285 301 HZ2 TRP 34 HZ2 TRP 34 11.711 18.924 -1.492 302 HZ3 TRP 34 HZ3 TRP 34 13.361 15.768 0.875 303 HH2 TRP 34 HH2 TRP 34 13.542 17.360 -0.978 304 H LYS 35 H LYS 35 8.309 13.471 3.095 305 HA LYS 35 HA LYS 35 9.919 12.933 0.884 306 HB2 LYS 35 HB2 LYS 35 8.621 11.008 2.842 307 HB3 LYS 35 HB3 LYS 35 9.879 10.544 1.702 308 HG2 LYS 35 HG2 LYS 35 11.483 12.013 2.792 309 HG3 LYS 35 HG3 LYS 35 10.228 12.647 3.861 310 HD2 LYS 35 HD2 LYS 35 11.655 10.976 5.007 311 HD3 LYS 35 HD3 LYS 35 9.972 10.453 4.922 312 HE2 LYS 35 HE2 LYS 35 10.576 9.021 2.942 313 HE3 LYS 35 HE3 LYS 35 12.266 9.479 3.174 314 HZ1 LYS 35 HZ1 LYS 35 11.817 7.361 4.190 315 HZ2 LYS 35 HZ2 LYS 35 10.560 8.011 5.112 316 HZ3 LYS 35 HZ3 LYS 35 12.155 8.493 5.398 317 H GLU 36 H GLU 36 6.580 11.781 1.499 318 HA GLU 36 HA GLU 36 6.429 10.580 -1.184 319 HB2 GLU 36 HB2 GLU 36 4.220 10.645 0.905 320 HB3 GLU 36 HB3 GLU 36 4.379 9.547 -0.467 321 HG2 GLU 36 HG2 GLU 36 6.002 9.574 2.093 322 HG3 GLU 36 HG3 GLU 36 4.870 8.341 1.558 323 H LEU 37 H LEU 37 5.678 13.505 0.398 324 HA LEU 37 HA LEU 37 3.290 14.307 -0.857 325 HB2 LEU 37 HB2 LEU 37 5.390 15.608 0.783 326 HB3 LEU 37 HB3 LEU 37 4.560 16.712 -0.287 327 HG LEU 37 HG LEU 37 3.619 16.637 2.025 328 HD11 LEU 37 HD11 LEU 37 1.275 16.581 1.358 329 HD12 LEU 37 HD12 LEU 37 1.699 15.772 -0.153 330 HD13 LEU 37 HD13 LEU 37 2.260 17.417 0.161 331 HD21 LEU 37 HD21 LEU 37 2.737 13.824 1.306 332 HD22 LEU 37 HD22 LEU 37 2.285 14.726 2.757 333 HD23 LEU 37 HD23 LEU 37 3.964 14.259 2.499 334 H LYS 38 H LYS 38 3.097 14.294 -2.986 335 HA LYS 38 HA LYS 38 4.789 16.132 -4.552 336 HB2 LYS 38 HB2 LYS 38 4.799 14.653 -6.460 337 HB3 LYS 38 HB3 LYS 38 5.380 13.757 -5.076 338 HG2 LYS 38 HG2 LYS 38 4.022 12.159 -6.036 339 HG3 LYS 38 HG3 LYS 38 2.869 12.907 -4.934 340 HD2 LYS 38 HD2 LYS 38 1.823 12.561 -7.108 341 HD3 LYS 38 HD3 LYS 38 1.994 14.288 -6.821 342 HE2 LYS 38 HE2 LYS 38 4.021 14.295 -8.277 343 HE3 LYS 38 HE3 LYS 38 3.782 12.572 -8.580 344 HZ1 LYS 38 HZ1 LYS 38 1.676 13.066 -9.614 345 HZ2 LYS 38 HZ2 LYS 38 2.900 13.962 -10.360 346 HZ3 LYS 38 HZ3 LYS 38 1.844 14.712 -9.276 347 HA PRO 39 HA PRO 39 0.850 17.968 -5.598 348 HB2 PRO 39 HB2 PRO 39 1.419 19.220 -7.962 349 HB3 PRO 39 HB3 PRO 39 2.059 19.794 -6.411 350 HG2 PRO 39 HG2 PRO 39 3.407 18.106 -8.510 351 HG3 PRO 39 HG3 PRO 39 4.058 19.482 -7.599 352 HD2 PRO 39 HD2 PRO 39 4.584 16.872 -6.937 353 HD3 PRO 39 HD3 PRO 39 4.526 18.179 -5.723 354 H GLY 40 H GLY 40 -0.577 16.385 -5.964 355 HA2 GLY 40 HA2 GLY 40 -1.915 15.743 -8.130 356 HA3 GLY 40 HA3 GLY 40 -0.508 14.708 -8.378 357 H MET 41 H MET 41 -0.629 14.745 -5.176 358 HA MET 41 HA MET 41 -2.015 12.210 -4.921 359 HB2 MET 41 HB2 MET 41 -0.620 13.938 -2.824 360 HB3 MET 41 HB3 MET 41 -1.293 12.346 -2.517 361 HG2 MET 41 HG2 MET 41 0.342 11.593 -4.442 362 HG3 MET 41 HG3 MET 41 1.184 13.089 -4.027 363 HE1 MET 41 HE1 MET 41 0.179 12.868 -0.704 364 HE2 MET 41 HE2 MET 41 1.660 13.622 -1.289 365 HE3 MET 41 HE3 MET 41 1.746 12.335 -0.086 366 H LYS 42 H LYS 42 -3.312 12.020 -2.723 367 HA LYS 42 HA LYS 42 -5.370 14.136 -2.582 368 HB2 LYS 42 HB2 LYS 42 -6.696 12.351 -1.311 369 HB3 LYS 42 HB3 LYS 42 -6.513 12.128 -3.043 370 HG2 LYS 42 HG2 LYS 42 -4.910 10.373 -2.711 371 HG3 LYS 42 HG3 LYS 42 -4.788 10.725 -0.987 372 HD2 LYS 42 HD2 LYS 42 -6.186 8.687 -1.558 373 HD3 LYS 42 HD3 LYS 42 -7.010 9.898 -0.565 374 HE2 LYS 42 HE2 LYS 42 -8.164 10.758 -2.587 375 HE3 LYS 42 HE3 LYS 42 -7.343 9.552 -3.570 376 HZ1 LYS 42 HZ1 LYS 42 -8.456 7.844 -2.169 377 HZ2 LYS 42 HZ2 LYS 42 -9.519 8.789 -3.083 378 HZ3 LYS 42 HZ3 LYS 42 -9.343 9.083 -1.427 379 H PHE 43 H PHE 43 -6.228 14.629 -0.446 380 HA PHE 43 HA PHE 43 -4.490 13.994 1.853 381 HB2 PHE 43 HB2 PHE 43 -4.038 16.336 0.822 382 HB3 PHE 43 HB3 PHE 43 -5.608 16.792 1.450 383 HD1 PHE 43 HD1 PHE 43 -5.572 15.535 4.177 384 HD2 PHE 43 HD2 PHE 43 -2.489 17.582 2.028 385 HE1 PHE 43 HE1 PHE 43 -4.542 16.223 6.292 386 HE2 PHE 43 HE2 PHE 43 -1.467 18.255 4.154 387 HZ PHE 43 HZ PHE 43 -2.491 17.583 6.282 388 H VAL 44 H VAL 44 -5.894 12.723 2.904 389 HA VAL 44 HA VAL 44 -8.744 13.332 2.978 390 HB VAL 44 HB VAL 44 -7.209 10.964 4.132 391 HG11 VAL 44 HG11 VAL 44 -10.200 11.351 3.731 392 HG12 VAL 44 HG12 VAL 44 -9.359 11.307 5.283 393 HG13 VAL 44 HG13 VAL 44 -9.422 9.862 4.274 394 HG21 VAL 44 HG21 VAL 44 -8.058 9.726 2.151 395 HG22 VAL 44 HG22 VAL 44 -7.018 11.068 1.674 396 HG23 VAL 44 HG23 VAL 44 -8.770 11.214 1.525 397 H PHE 45 H PHE 45 -9.641 14.435 4.566 398 HA PHE 45 HA PHE 45 -8.093 15.182 6.933 399 HB2 PHE 45 HB2 PHE 45 -10.806 16.238 6.021 400 HB3 PHE 45 HB3 PHE 45 -9.730 16.963 7.213 401 HD1 PHE 45 HD1 PHE 45 -7.333 17.636 6.340 402 HD2 PHE 45 HD2 PHE 45 -10.702 16.996 3.795 403 HE1 PHE 45 HE1 PHE 45 -6.251 18.948 4.570 404 HE2 PHE 45 HE2 PHE 45 -9.614 18.307 2.040 405 HZ PHE 45 HZ PHE 45 -7.392 19.284 2.419 406 H TYR 46 H TYR 46 -8.339 14.085 8.718 407 HA TYR 46 HA TYR 46 -10.644 12.423 9.347 408 HB2 TYR 46 HB2 TYR 46 -8.345 11.565 9.714 409 HB3 TYR 46 HB3 TYR 46 -7.982 12.920 10.771 410 HD1 TYR 46 HD1 TYR 46 -10.257 9.947 10.469 411 HD2 TYR 46 HD2 TYR 46 -8.309 12.675 13.119 412 HE1 TYR 46 HE1 TYR 46 -11.064 8.664 12.396 413 HE2 TYR 46 HE2 TYR 46 -9.108 11.379 15.042 414 HH TYR 46 HH TYR 46 -10.428 8.285 14.760 415 H GLN 47 H GLN 47 -11.314 12.637 11.798 416 HA GLN 47 HA GLN 47 -12.481 13.658 13.382 417 HB2 GLN 47 HB2 GLN 47 -10.419 14.940 13.926 418 HB3 GLN 47 HB3 GLN 47 -10.897 16.194 12.786 419 HG2 GLN 47 HG2 GLN 47 -12.888 16.690 14.141 420 HG3 GLN 47 HG3 GLN 47 -12.474 15.389 15.258 421 HE21 GLN 47 HE21 GLN 47 -10.637 15.662 16.627 422 HE22 GLN 47 HE22 GLN 47 -10.016 17.231 16.980 423 H SER 48 H SER 48 -14.488 13.521 12.582 424 HA SER 48 HA SER 48 -15.376 14.941 10.257 425 HB2 SER 48 HB2 SER 48 -17.520 13.647 10.648 426 HB3 SER 48 HB3 SER 48 -16.080 12.641 10.533 427 HG SER 48 HG SER 48 -17.177 13.512 12.993 428 H HIS 49 H HIS 49 -14.906 17.039 11.328 429 HA HIS 49 HA HIS 49 -15.350 18.964 12.404 430 HB2 HIS 49 HB2 HIS 49 -16.877 19.239 10.541 431 HB3 HIS 49 HB3 HIS 49 -18.107 18.249 11.325 432 HD1 HIS 49 HD1 HIS 49 -16.349 21.607 11.854 433 HD2 HIS 49 HD2 HIS 49 -19.944 19.714 12.699 434 HE1 HIS 49 HE1 HIS 49 -17.779 23.346 12.961 435 HE2 HIS 49 HE2 HIS 49 -19.891 22.129 13.608 436 H GLU 50 H GLU 50 -14.857 18.608 14.509 437 HA GLU 50 HA GLU 50 -15.116 18.689 16.761 438 HB2 GLU 50 HB2 GLU 50 -18.125 18.453 16.320 439 HB3 GLU 50 HB3 GLU 50 -17.347 18.822 17.857 440 HG2 GLU 50 HG2 GLU 50 -16.581 20.953 17.050 441 HG3 GLU 50 HG3 GLU 50 -17.058 20.570 15.397 442 H ASP 51 H ASP 51 -17.296 16.268 15.280 443 HA ASP 51 HA ASP 51 -16.781 14.187 17.214 444 HB2 ASP 51 HB2 ASP 51 -18.037 14.086 14.425 445 HB3 ASP 51 HB3 ASP 51 -18.058 12.759 15.583 446 H THR 52 H THR 52 -15.940 12.007 16.428 447 HA THR 52 HA THR 52 -13.403 12.342 14.964 448 HB THR 52 HB THR 52 -12.844 10.074 15.886 449 HG1 THR 52 HG1 THR 52 -15.517 10.073 16.459 450 HG21 THR 52 HG21 THR 52 -12.225 12.094 17.175 451 HG22 THR 52 HG22 THR 52 -12.606 10.740 18.239 452 HG23 THR 52 HG23 THR 52 -13.780 12.039 18.012 453 H GLY 53 H GLY 53 -12.887 11.117 13.166 454 HA2 GLY 53 HA2 GLY 53 -13.554 9.113 11.736 455 HA3 GLY 53 HA3 GLY 53 -15.136 9.896 11.658 456 H PHE 54 H PHE 54 -13.653 9.414 9.320 457 HA PHE 54 HA PHE 54 -12.183 11.712 8.497 458 HB2 PHE 54 HB2 PHE 54 -13.429 9.425 6.933 459 HB3 PHE 54 HB3 PHE 54 -12.498 10.710 6.171 460 HD1 PHE 54 HD1 PHE 54 -10.152 11.144 7.578 461 HD2 PHE 54 HD2 PHE 54 -12.201 7.416 7.180 462 HE1 PHE 54 HE1 PHE 54 -8.047 9.943 7.941 463 HE2 PHE 54 HE2 PHE 54 -10.084 6.225 7.546 464 HZ PHE 54 HZ PHE 54 -8.004 7.486 7.930 465 H VAL 55 H VAL 55 -13.041 13.644 8.248 466 HA VAL 55 HA VAL 55 -15.819 14.171 7.779 467 HB VAL 55 HB VAL 55 -14.653 15.724 9.163 468 HG11 VAL 55 HG11 VAL 55 -12.719 16.288 6.909 469 HG12 VAL 55 HG12 VAL 55 -12.363 15.426 8.407 470 HG13 VAL 55 HG13 VAL 55 -12.771 17.141 8.456 471 HG21 VAL 55 HG21 VAL 55 -15.219 17.149 6.554 472 HG22 VAL 55 HG22 VAL 55 -15.124 17.904 8.149 473 HG23 VAL 55 HG23 VAL 55 -16.406 16.744 7.796 474 H GLY 56 H GLY 56 -12.884 14.172 5.789 475 HA2 GLY 56 HA2 GLY 56 -14.306 13.776 3.361 476 HA3 GLY 56 HA3 GLY 56 -13.868 15.480 3.511 477 H GLU 57 H GLU 57 -12.706 14.948 1.529 478 HA GLU 57 HA GLU 57 -9.900 14.526 2.206 479 HB2 GLU 57 HB2 GLU 57 -9.427 13.155 0.238 480 HB3 GLU 57 HB3 GLU 57 -10.583 12.328 1.273 481 HG2 GLU 57 HG2 GLU 57 -12.366 12.667 -0.236 482 HG3 GLU 57 HG3 GLU 57 -11.518 13.953 -1.093 483 H ALA 58 H ALA 58 -8.604 15.114 0.104 484 HA ALA 58 HA ALA 58 -9.812 17.037 -1.694 485 HB1 ALA 58 HB1 ALA 58 -8.244 18.874 -1.117 486 HB2 ALA 58 HB2 ALA 58 -7.670 17.930 0.265 487 HB3 ALA 58 HB3 ALA 58 -9.340 18.493 0.214 488 H ARG 59 H ARG 59 -7.621 18.106 -2.869 489 HA ARG 59 HA ARG 59 -5.826 15.844 -3.475 490 HB2 ARG 59 HB2 ARG 59 -7.069 17.787 -5.455 491 HB3 ARG 59 HB3 ARG 59 -5.841 16.582 -5.854 492 HG2 ARG 59 HG2 ARG 59 -8.612 15.970 -4.759 493 HG3 ARG 59 HG3 ARG 59 -8.141 15.843 -6.459 494 HD2 ARG 59 HD2 ARG 59 -6.684 13.998 -6.012 495 HD3 ARG 59 HD3 ARG 59 -6.731 14.273 -4.269 496 HE ARG 59 HE ARG 59 -9.275 13.735 -4.668 497 HH11 ARG 59 HH11 ARG 59 -6.506 12.041 -6.052 498 HH12 ARG 59 HH12 ARG 59 -7.339 10.522 -6.138 499 HH21 ARG 59 HH21 ARG 59 -10.335 11.762 -4.795 500 HH22 ARG 59 HH22 ARG 59 -9.524 10.369 -5.430 501 H ILE 60 H ILE 60 -3.892 16.284 -2.922 502 HA ILE 60 HA ILE 60 -2.761 18.786 -2.294 503 HB ILE 60 HB ILE 60 -1.604 16.025 -2.803 504 HG12 ILE 60 HG12 ILE 60 -1.510 17.571 -0.193 505 HG13 ILE 60 HG13 ILE 60 -2.968 16.708 -0.640 506 HG21 ILE 60 HG21 ILE 60 0.015 18.475 -2.024 507 HG22 ILE 60 HG22 ILE 60 0.161 17.545 -3.517 508 HG23 ILE 60 HG23 ILE 60 0.604 16.811 -1.976 509 HD11 ILE 60 HD11 ILE 60 -0.228 15.478 -0.311 510 HD12 ILE 60 HD12 ILE 60 -1.724 14.616 -0.686 511 HD13 ILE 60 HD13 ILE 60 -1.540 15.431 0.866 512 H LYS 61 H LYS 61 -2.043 20.277 -3.571 513 HA LYS 61 HA LYS 61 -0.851 19.715 -6.206 514 HB2 LYS 61 HB2 LYS 61 -3.000 21.762 -5.502 515 HB3 LYS 61 HB3 LYS 61 -1.991 21.950 -6.921 516 HG2 LYS 61 HG2 LYS 61 -3.788 19.562 -6.382 517 HG3 LYS 61 HG3 LYS 61 -4.219 20.939 -7.396 518 HD2 LYS 61 HD2 LYS 61 -1.854 19.093 -7.945 519 HD3 LYS 61 HD3 LYS 61 -3.455 18.904 -8.668 520 HE2 LYS 61 HE2 LYS 61 -3.254 21.129 -9.709 521 HE3 LYS 61 HE3 LYS 61 -1.659 21.329 -8.980 522 HZ1 LYS 61 HZ1 LYS 61 -2.414 19.246 -10.944 523 HZ2 LYS 61 HZ2 LYS 61 -0.881 19.452 -10.263 524 HZ3 LYS 61 HZ3 LYS 61 -1.520 20.641 -11.274 525 H ARG 62 H ARG 62 -0.174 22.402 -6.725 526 HA ARG 62 HA ARG 62 2.334 22.689 -6.252 527 HB2 ARG 62 HB2 ARG 62 1.183 24.418 -7.396 528 HB3 ARG 62 HB3 ARG 62 0.222 24.835 -5.986 529 HG2 ARG 62 HG2 ARG 62 2.188 25.831 -4.907 530 HG3 ARG 62 HG3 ARG 62 3.176 25.374 -6.290 531 HD2 ARG 62 HD2 ARG 62 2.515 27.762 -6.368 532 HD3 ARG 62 HD3 ARG 62 1.896 26.862 -7.754 533 HE ARG 62 HE ARG 62 -0.150 26.793 -5.928 534 HH11 ARG 62 HH11 ARG 62 1.657 29.416 -7.426 535 HH12 ARG 62 HH12 ARG 62 0.310 30.502 -7.414 536 HH21 ARG 62 HH21 ARG 62 -1.903 28.229 -5.924 537 HH22 ARG 62 HH22 ARG 62 -1.710 29.829 -6.555 538 H VAL 63 H VAL 63 3.623 22.218 -4.596 539 HA VAL 63 HA VAL 63 2.968 23.125 -1.864 540 HB VAL 63 HB VAL 63 4.594 21.408 -1.046 541 HG11 VAL 63 HG11 VAL 63 2.203 20.859 -1.155 542 HG12 VAL 63 HG12 VAL 63 3.176 19.427 -1.483 543 HG13 VAL 63 HG13 VAL 63 2.384 20.279 -2.812 544 HG21 VAL 63 HG21 VAL 63 4.758 20.475 -3.952 545 HG22 VAL 63 HG22 VAL 63 5.441 19.629 -2.557 546 HG23 VAL 63 HG23 VAL 63 6.070 21.207 -3.030 547 H VAL 64 H VAL 64 3.851 25.014 -1.403 548 HA VAL 64 HA VAL 64 6.346 25.929 -2.653 549 HB VAL 64 HB VAL 64 4.295 27.364 -0.908 550 HG11 VAL 64 HG11 VAL 64 6.478 28.383 -0.480 551 HG12 VAL 64 HG12 VAL 64 5.500 29.473 -1.465 552 HG13 VAL 64 HG13 VAL 64 6.784 28.525 -2.215 553 HG21 VAL 64 HG21 VAL 64 3.716 28.581 -2.987 554 HG22 VAL 64 HG22 VAL 64 3.475 26.841 -3.171 555 HG23 VAL 64 HG23 VAL 64 4.894 27.618 -3.880 556 H LEU 65 H LEU 65 8.211 25.555 -1.660 557 HA LEU 65 HA LEU 65 8.362 24.969 1.216 558 HB2 LEU 65 HB2 LEU 65 10.557 24.804 -0.905 559 HB3 LEU 65 HB3 LEU 65 10.635 24.166 0.731 560 HG LEU 65 HG LEU 65 8.884 23.118 -1.535 561 HD11 LEU 65 HD11 LEU 65 11.307 21.858 -0.204 562 HD12 LEU 65 HD12 LEU 65 11.227 22.528 -1.836 563 HD13 LEU 65 HD13 LEU 65 10.284 21.098 -1.429 564 HD21 LEU 65 HD21 LEU 65 9.095 22.095 1.315 565 HD22 LEU 65 HD22 LEU 65 8.244 21.293 -0.009 566 HD23 LEU 65 HD23 LEU 65 7.692 22.861 0.566 567 H SER 66 H SER 66 8.886 26.598 2.578 568 HA SER 66 HA SER 66 11.115 28.367 1.981 569 HB2 SER 66 HB2 SER 66 9.147 29.686 1.199 570 HB3 SER 66 HB3 SER 66 8.412 29.537 2.797 571 HG SER 66 HG SER 66 10.236 31.298 1.950 572 H GLU 67 H GLU 67 12.298 28.778 3.810 573 HA GLU 67 HA GLU 67 11.738 27.439 6.247 574 HB2 GLU 67 HB2 GLU 67 13.778 29.562 5.545 575 HB3 GLU 67 HB3 GLU 67 13.699 28.809 7.130 576 HG2 GLU 67 HG2 GLU 67 14.056 26.592 6.010 577 HG3 GLU 67 HG3 GLU 67 14.302 27.474 4.516 578 H ASN 68 H ASN 68 10.707 30.504 5.069 579 HA ASN 68 HA ASN 68 10.026 31.528 7.748 580 HB2 ASN 68 HB2 ASN 68 9.505 32.937 5.106 581 HB3 ASN 68 HB3 ASN 68 9.585 33.648 6.709 582 HD21 ASN 68 HD21 ASN 68 11.052 34.306 4.233 583 HD22 ASN 68 HD22 ASN 68 12.727 34.216 4.646 584 HA PRO 69 HA PRO 69 5.890 29.700 7.003 585 HB2 PRO 69 HB2 PRO 69 4.705 30.702 9.300 586 HB3 PRO 69 HB3 PRO 69 5.704 29.246 9.265 587 HG2 PRO 69 HG2 PRO 69 6.484 32.055 10.031 588 HG3 PRO 69 HG3 PRO 69 6.880 30.524 10.844 589 HD2 PRO 69 HD2 PRO 69 8.667 31.754 9.246 590 HD3 PRO 69 HD3 PRO 69 8.544 29.977 9.286 591 H MET 70 H MET 70 6.743 33.050 7.464 592 HA MET 70 HA MET 70 4.106 34.194 7.232 593 HB2 MET 70 HB2 MET 70 6.832 35.526 7.056 594 HB3 MET 70 HB3 MET 70 5.296 36.360 7.255 595 HG2 MET 70 HG2 MET 70 5.022 35.523 9.470 596 HG3 MET 70 HG3 MET 70 6.317 34.342 9.266 597 HE1 MET 70 HE1 MET 70 9.502 36.647 9.186 598 HE2 MET 70 HE2 MET 70 8.574 36.082 7.797 599 HE3 MET 70 HE3 MET 70 8.915 34.983 9.136 600 H GLN 71 H GLN 71 6.619 33.252 5.057 601 HA GLN 71 HA GLN 71 6.089 34.725 2.750 602 HB2 GLN 71 HB2 GLN 71 7.122 31.898 3.154 603 HB3 GLN 71 HB3 GLN 71 6.986 32.606 1.548 604 HG2 GLN 71 HG2 GLN 71 8.594 33.891 3.767 605 HG3 GLN 71 HG3 GLN 71 9.265 32.703 2.653 606 HE21 GLN 71 HE21 GLN 71 7.987 35.960 2.941 607 HE22 GLN 71 HE22 GLN 71 8.615 36.540 1.440 608 H PHE 72 H PHE 72 4.377 31.986 4.116 609 HA PHE 72 HA PHE 72 2.801 31.446 1.743 610 HB2 PHE 72 HB2 PHE 72 2.294 30.427 4.563 611 HB3 PHE 72 HB3 PHE 72 1.792 29.684 3.043 612 HD1 PHE 72 HD1 PHE 72 4.200 29.667 1.400 613 HD2 PHE 72 HD2 PHE 72 3.798 28.978 5.606 614 HE1 PHE 72 HE1 PHE 72 6.262 28.336 1.387 615 HE2 PHE 72 HE2 PHE 72 5.853 27.656 5.564 616 HZ PHE 72 HZ PHE 72 7.094 27.328 3.468 617 H PHE 73 H PHE 73 2.461 33.298 4.698 618 HA PHE 73 HA PHE 73 -0.398 33.712 4.474 619 HB2 PHE 73 HB2 PHE 73 1.689 35.015 6.276 620 HB3 PHE 73 HB3 PHE 73 -0.049 35.273 6.415 621 HD1 PHE 73 HD1 PHE 73 -1.525 33.163 6.778 622 HD2 PHE 73 HD2 PHE 73 2.681 33.221 7.458 623 HE1 PHE 73 HE1 PHE 73 -1.708 31.169 8.194 624 HE2 PHE 73 HE2 PHE 73 2.483 31.232 8.870 625 HZ PHE 73 HZ PHE 73 0.288 30.197 9.237 626 H GLU 74 H GLU 74 2.439 35.273 3.209 627 HA GLU 74 HA GLU 74 0.896 37.634 2.362 628 HB2 GLU 74 HB2 GLU 74 3.042 38.483 1.482 629 HB3 GLU 74 HB3 GLU 74 3.161 38.026 3.176 630 HG2 GLU 74 HG2 GLU 74 4.175 35.847 2.435 631 HG3 GLU 74 HG3 GLU 74 4.213 36.485 0.791 632 H THR 75 H THR 75 2.329 34.684 0.982 633 HA THR 75 HA THR 75 1.889 35.404 -1.766 634 HB THR 75 HB THR 75 2.548 32.712 -0.496 635 HG1 THR 75 HG1 THR 75 4.077 34.604 -0.482 636 HG21 THR 75 HG21 THR 75 1.501 32.328 -2.710 637 HG22 THR 75 HG22 THR 75 3.225 31.952 -2.751 638 HG23 THR 75 HG23 THR 75 2.635 33.463 -3.448 639 H PHE 76 H PHE 76 0.380 32.926 0.348 640 HA PHE 76 HA PHE 76 -1.972 32.726 -1.402 641 HB2 PHE 76 HB2 PHE 76 -1.227 31.152 1.104 642 HB3 PHE 76 HB3 PHE 76 -2.607 30.823 0.081 643 HD1 PHE 76 HD1 PHE 76 -2.209 30.118 -2.335 644 HD2 PHE 76 HD2 PHE 76 0.896 30.179 0.606 645 HE1 PHE 76 HE1 PHE 76 -0.875 28.574 -3.708 646 HE2 PHE 76 HE2 PHE 76 2.228 28.639 -0.777 647 HZ PHE 76 HZ PHE 76 1.341 27.834 -2.932 648 H GLY 77 H GLY 77 -1.408 33.016 2.128 649 HA2 GLY 77 HA2 GLY 77 -2.294 34.385 3.735 650 HA3 GLY 77 HA3 GLY 77 -2.991 35.375 2.461 651 H ASP 78 H ASP 78 -5.003 34.793 1.585 652 HA ASP 78 HA ASP 78 -6.989 34.048 3.435 653 HB2 ASP 78 HB2 ASP 78 -7.357 35.551 1.463 654 HB3 ASP 78 HB3 ASP 78 -7.149 34.172 0.393 655 H ARG 79 H ARG 79 -5.317 32.257 0.885 656 HA ARG 79 HA ARG 79 -6.933 29.933 0.861 657 HB2 ARG 79 HB2 ARG 79 -4.043 30.349 0.045 658 HB3 ARG 79 HB3 ARG 79 -4.906 28.843 -0.216 659 HG2 ARG 79 HG2 ARG 79 -5.664 31.522 -1.398 660 HG3 ARG 79 HG3 ARG 79 -4.774 30.246 -2.236 661 HD2 ARG 79 HD2 ARG 79 -6.793 28.719 -1.760 662 HD3 ARG 79 HD3 ARG 79 -7.658 30.191 -1.298 663 HE ARG 79 HE ARG 79 -7.364 31.006 -3.561 664 HH11 ARG 79 HH11 ARG 79 -6.781 27.556 -3.137 665 HH12 ARG 79 HH12 ARG 79 -6.950 27.208 -4.826 666 HH21 ARG 79 HH21 ARG 79 -7.548 30.514 -5.786 667 HH22 ARG 79 HH22 ARG 79 -7.378 28.872 -6.317 668 H VAL 80 H VAL 80 -4.186 30.854 2.929 669 HA VAL 80 HA VAL 80 -3.577 28.204 3.841 670 HB VAL 80 HB VAL 80 -2.955 30.801 5.315 671 HG11 VAL 80 HG11 VAL 80 -1.578 28.089 5.401 672 HG12 VAL 80 HG12 VAL 80 -2.575 28.795 6.676 673 HG13 VAL 80 HG13 VAL 80 -1.035 29.542 6.246 674 HG21 VAL 80 HG21 VAL 80 -0.788 30.837 4.113 675 HG22 VAL 80 HG22 VAL 80 -2.151 31.007 3.003 676 HG23 VAL 80 HG23 VAL 80 -1.310 29.460 3.134 677 H PHE 81 H PHE 81 -4.181 27.150 5.826 678 HA PHE 81 HA PHE 81 -6.894 27.467 6.492 679 HB2 PHE 81 HB2 PHE 81 -6.658 25.604 8.007 680 HB3 PHE 81 HB3 PHE 81 -5.741 25.292 6.547 681 HD1 PHE 81 HD1 PHE 81 -5.483 25.951 10.173 682 HD2 PHE 81 HD2 PHE 81 -3.316 24.997 6.627 683 HE1 PHE 81 HE1 PHE 81 -3.561 25.274 11.540 684 HE2 PHE 81 HE2 PHE 81 -1.396 24.310 8.001 685 HZ PHE 81 HZ PHE 81 -1.512 24.450 10.453 686 H LEU 82 H LEU 82 -4.264 29.112 7.794 687 HA LEU 82 HA LEU 82 -5.978 30.372 9.811 688 HB2 LEU 82 HB2 LEU 82 -4.348 30.271 11.552 689 HB3 LEU 82 HB3 LEU 82 -4.535 28.639 10.958 690 HG LEU 82 HG LEU 82 -2.180 30.468 10.307 691 HD11 LEU 82 HD11 LEU 82 -2.167 29.852 12.669 692 HD12 LEU 82 HD12 LEU 82 -0.853 29.057 11.809 693 HD13 LEU 82 HD13 LEU 82 -2.299 28.141 12.250 694 HD21 LEU 82 HD21 LEU 82 -1.081 28.487 9.400 695 HD22 LEU 82 HD22 LEU 82 -2.572 28.826 8.530 696 HD23 LEU 82 HD23 LEU 82 -2.522 27.515 9.707 697 H THR 83 H THR 83 -4.918 32.508 10.565 698 HA THR 83 HA THR 83 -3.514 33.801 8.303 699 HB THR 83 HB THR 83 -5.555 34.993 8.972 700 HG1 THR 83 HG1 THR 83 -4.248 37.020 9.838 701 HG21 THR 83 HG21 THR 83 -4.286 35.283 11.710 702 HG22 THR 83 HG22 THR 83 -5.731 34.345 11.325 703 HG23 THR 83 HG23 THR 83 -5.754 36.101 11.169 704 H LYS 84 H LYS 84 -1.902 35.564 9.090 705 HA LYS 84 HA LYS 84 0.284 34.253 10.298 706 HB2 LYS 84 HB2 LYS 84 0.446 36.142 8.643 707 HB3 LYS 84 HB3 LYS 84 -0.086 37.245 9.907 708 HG2 LYS 84 HG2 LYS 84 1.960 36.538 11.242 709 HG3 LYS 84 HG3 LYS 84 2.507 35.672 9.809 710 HD2 LYS 84 HD2 LYS 84 2.008 38.666 10.032 711 HD3 LYS 84 HD3 LYS 84 3.584 37.878 9.977 712 HE2 LYS 84 HE2 LYS 84 3.210 37.180 7.677 713 HE3 LYS 84 HE3 LYS 84 1.547 37.778 7.725 714 HZ1 LYS 84 HZ1 LYS 84 3.977 39.463 8.007 715 HZ2 LYS 84 HZ2 LYS 84 2.383 40.016 7.996 716 HZ3 LYS 84 HZ3 LYS 84 3.042 39.320 6.606 717 H ASP 85 H ASP 85 -2.213 36.320 11.603 718 HA ASP 85 HA ASP 85 -1.136 36.903 14.158 719 HB2 ASP 85 HB2 ASP 85 -4.075 36.488 13.508 720 HB3 ASP 85 HB3 ASP 85 -3.417 37.386 14.861 721 H GLU 86 H GLU 86 -3.336 34.298 13.059 722 HA GLU 86 HA GLU 86 -3.513 32.823 15.424 723 HB2 GLU 86 HB2 GLU 86 -3.500 31.696 12.595 724 HB3 GLU 86 HB3 GLU 86 -4.102 30.866 14.029 725 HG2 GLU 86 HG2 GLU 86 -5.257 33.402 12.850 726 HG3 GLU 86 HG3 GLU 86 -5.903 31.784 12.607 727 H LEU 87 H LEU 87 -1.085 32.726 12.836 728 HA LEU 87 HA LEU 87 0.506 30.564 13.651 729 HB2 LEU 87 HB2 LEU 87 0.851 31.542 11.462 730 HB3 LEU 87 HB3 LEU 87 1.199 33.114 12.156 731 HG LEU 87 HG LEU 87 3.301 32.062 13.198 732 HD11 LEU 87 HD11 LEU 87 2.711 29.720 13.028 733 HD12 LEU 87 HD12 LEU 87 4.215 30.044 12.173 734 HD13 LEU 87 HD13 LEU 87 2.718 29.810 11.263 735 HD21 LEU 87 HD21 LEU 87 4.658 32.372 11.218 736 HD22 LEU 87 HD22 LEU 87 3.384 33.586 11.256 737 HD23 LEU 87 HD23 LEU 87 3.252 32.202 10.168 738 H LYS 88 H LYS 88 0.968 34.084 14.423 739 HA LYS 88 HA LYS 88 3.389 33.648 15.802 740 HB2 LYS 88 HB2 LYS 88 3.115 36.043 16.670 741 HB3 LYS 88 HB3 LYS 88 3.212 35.812 14.941 742 HG2 LYS 88 HG2 LYS 88 1.606 37.484 15.282 743 HG3 LYS 88 HG3 LYS 88 0.700 36.033 14.873 744 HD2 LYS 88 HD2 LYS 88 -0.108 35.760 17.064 745 HD3 LYS 88 HD3 LYS 88 1.135 36.800 17.770 746 HE2 LYS 88 HE2 LYS 88 0.094 38.742 16.865 747 HE3 LYS 88 HE3 LYS 88 -1.050 37.788 15.922 748 HZ1 LYS 88 HZ1 LYS 88 -2.094 38.642 17.922 749 HZ2 LYS 88 HZ2 LYS 88 -0.930 37.894 18.889 750 HZ3 LYS 88 HZ3 LYS 88 -2.004 36.953 17.983 751 H GLU 89 H GLU 89 0.074 33.845 16.998 752 HA GLU 89 HA GLU 89 0.882 33.620 19.793 753 HB2 GLU 89 HB2 GLU 89 -1.533 33.673 20.293 754 HB3 GLU 89 HB3 GLU 89 -1.047 35.000 19.245 755 HG2 GLU 89 HG2 GLU 89 -1.906 33.609 17.290 756 HG3 GLU 89 HG3 GLU 89 -2.595 32.509 18.483 757 H TYR 90 H TYR 90 0.018 31.445 17.231 758 HA TYR 90 HA TYR 90 -0.481 29.096 18.793 759 HB2 TYR 90 HB2 TYR 90 -1.129 29.150 16.442 760 HB3 TYR 90 HB3 TYR 90 0.519 29.477 15.937 761 HD1 TYR 90 HD1 TYR 90 -1.596 26.817 17.569 762 HD2 TYR 90 HD2 TYR 90 1.924 27.683 15.292 763 HE1 TYR 90 HE1 TYR 90 -1.219 24.408 17.226 764 HE2 TYR 90 HE2 TYR 90 2.301 25.275 14.955 765 HH TYR 90 HH TYR 90 1.686 23.131 16.058 766 H MET 91 H MET 91 2.439 30.617 17.459 767 HA MET 91 HA MET 91 4.277 28.587 18.344 768 HB2 MET 91 HB2 MET 91 4.748 31.445 17.399 769 HB3 MET 91 HB3 MET 91 6.035 30.296 17.734 770 HG2 MET 91 HG2 MET 91 5.100 28.803 15.959 771 HG3 MET 91 HG3 MET 91 3.928 30.059 15.571 772 HE1 MET 91 HE1 MET 91 5.794 32.728 15.934 773 HE2 MET 91 HE2 MET 91 4.650 32.492 14.610 774 HE3 MET 91 HE3 MET 91 6.323 32.938 14.265 775 H LYS 92 H LYS 92 3.022 31.622 19.702 776 HA LYS 92 HA LYS 92 4.606 31.661 22.075 777 HB2 LYS 92 HB2 LYS 92 1.777 32.734 21.687 778 HB3 LYS 92 HB3 LYS 92 2.799 33.065 23.079 779 HG2 LYS 92 HG2 LYS 92 3.272 33.975 20.229 780 HG3 LYS 92 HG3 LYS 92 2.734 34.968 21.573 781 HD2 LYS 92 HD2 LYS 92 4.945 35.547 21.707 782 HD3 LYS 92 HD3 LYS 92 5.102 34.037 22.603 783 HE2 LYS 92 HE2 LYS 92 5.765 32.888 20.500 784 HE3 LYS 92 HE3 LYS 92 5.632 34.421 19.632 785 HZ1 LYS 92 HZ1 LYS 92 7.478 33.880 21.900 786 HZ2 LYS 92 HZ2 LYS 92 7.375 35.328 21.024 787 HZ3 LYS 92 HZ3 LYS 92 7.914 33.916 20.265 788 H SER 93 H SER 93 1.576 30.083 21.186 789 HA SER 93 HA SER 93 0.905 28.994 23.713 790 HB2 SER 93 HB2 SER 93 -0.713 29.191 21.822 791 HB3 SER 93 HB3 SER 93 0.175 27.955 20.936 792 HG SER 93 HG SER 93 -1.383 27.698 23.275 793 H GLN 94 H GLN 94 3.047 27.895 21.111 794 HA GLN 94 HA GLN 94 3.471 25.262 22.102 795 HB2 GLN 94 HB2 GLN 94 5.269 26.963 20.315 796 HB3 GLN 94 HB3 GLN 94 5.507 25.246 20.634 797 HG2 GLN 94 HG2 GLN 94 3.157 26.507 19.199 798 HG3 GLN 94 HG3 GLN 94 4.442 25.552 18.473 799 HE21 GLN 94 HE21 GLN 94 1.461 25.206 18.617 800 HE22 GLN 94 HE22 GLN 94 1.233 23.597 19.203 801 H GLU 95 H GLU 95 5.469 28.252 22.411 802 HA GLU 95 HA GLU 95 7.492 27.004 23.955 803 HB2 GLU 95 HB2 GLU 95 8.333 29.298 24.371 804 HB3 GLU 95 HB3 GLU 95 7.975 29.001 22.676 805 HG2 GLU 95 HG2 GLU 95 5.753 30.192 23.055 806 HG3 GLU 95 HG3 GLU 95 6.380 30.668 24.638 807 H ARG 96 H ARG 96 4.424 28.436 24.922 808 HA ARG 96 HA ARG 96 5.215 28.502 27.752 809 HB2 ARG 96 HB2 ARG 96 3.146 29.624 28.208 810 HB3 ARG 96 HB3 ARG 96 3.839 30.357 26.766 811 HG2 ARG 96 HG2 ARG 96 2.264 29.055 25.365 812 HG3 ARG 96 HG3 ARG 96 1.570 28.346 26.824 813 HD2 ARG 96 HD2 ARG 96 0.153 30.163 26.056 814 HD3 ARG 96 HD3 ARG 96 0.905 30.617 27.588 815 HE ARG 96 HE ARG 96 2.424 31.524 25.345 816 HH11 ARG 96 HH11 ARG 96 -0.399 32.321 27.289 817 HH12 ARG 96 HH12 ARG 96 -0.354 33.999 26.867 818 HH21 ARG 96 HH21 ARG 96 2.466 33.714 24.806 819 HH22 ARG 96 HH22 ARG 96 1.285 34.795 25.463 820 H TRP 97 H TRP 97 3.296 26.451 25.578 821 HA TRP 97 HA TRP 97 2.462 24.789 27.897 822 HB2 TRP 97 HB2 TRP 97 1.204 24.869 25.122 823 HB3 TRP 97 HB3 TRP 97 0.656 23.886 26.473 824 HD1 TRP 97 HD1 TRP 97 -0.587 26.666 24.754 825 HE1 TRP 97 HE1 TRP 97 -1.884 28.320 26.233 826 HE3 TRP 97 HE3 TRP 97 1.112 25.177 29.366 827 HZ2 TRP 97 HZ2 TRP 97 -2.153 28.927 28.964 828 HZ3 TRP 97 HZ3 TRP 97 0.281 26.358 31.359 829 HH2 TRP 97 HH2 TRP 97 -1.320 28.195 31.160 830 H GLY 98 H GLY 98 3.121 24.209 24.401 831 HA2 GLY 98 HA2 GLY 98 3.853 21.453 24.841 832 HA3 GLY 98 HA3 GLY 98 3.931 22.329 23.327 833 H ARG 99 H ARG 99 5.594 24.156 25.467 834 HA ARG 99 HA ARG 99 7.682 24.673 25.998 835 HB2 ARG 99 HB2 ARG 99 8.271 21.717 25.584 836 HB3 ARG 99 HB3 ARG 99 9.425 22.871 26.252 837 HG2 ARG 99 HG2 ARG 99 7.903 23.301 28.150 838 HG3 ARG 99 HG3 ARG 99 6.739 22.150 27.488 839 HD2 ARG 99 HD2 ARG 99 8.354 20.326 27.764 840 HD3 ARG 99 HD3 ARG 99 9.573 21.466 28.343 841 HE ARG 99 HE ARG 99 7.358 21.731 30.015 842 HH11 ARG 99 HH11 ARG 99 9.666 19.174 29.251 843 HH12 ARG 99 HH12 ARG 99 9.569 18.466 30.827 844 HH21 ARG 99 HH21 ARG 99 7.255 20.771 32.074 845 HH22 ARG 99 HH22 ARG 99 8.208 19.361 32.412 846 H ARG 100 H ARG 100 9.614 25.357 25.087 847 HA ARG 100 HA ARG 100 10.466 24.365 22.467 848 HB2 ARG 100 HB2 ARG 100 9.783 27.274 23.054 849 HB3 ARG 100 HB3 ARG 100 11.028 26.879 21.874 850 HG2 ARG 100 HG2 ARG 100 9.332 25.577 20.577 851 HG3 ARG 100 HG3 ARG 100 8.096 26.098 21.728 852 HD2 ARG 100 HD2 ARG 100 8.130 27.477 19.646 853 HD3 ARG 100 HD3 ARG 100 8.431 28.436 21.100 854 HE ARG 100 HE ARG 100 10.629 27.481 19.356 855 HH11 ARG 100 HH11 ARG 100 9.037 30.176 20.989 856 HH12 ARG 100 HH12 ARG 100 10.322 31.283 20.636 857 HH21 ARG 100 HH21 ARG 100 12.301 28.979 18.941 858 HH22 ARG 100 HH22 ARG 100 12.144 30.619 19.478 859 H ARG 101 H ARG 101 12.546 23.900 22.605 860 HA ARG 101 HA ARG 101 14.239 24.604 24.802 861 HB2 ARG 101 HB2 ARG 101 14.474 22.499 23.458 862 HB3 ARG 101 HB3 ARG 101 14.963 23.457 22.066 863 HG2 ARG 101 HG2 ARG 101 16.990 24.194 23.271 864 HG3 ARG 101 HG3 ARG 101 16.493 23.264 24.689 865 HD2 ARG 101 HD2 ARG 101 16.626 21.178 23.342 866 HD3 ARG 101 HD3 ARG 101 17.159 22.128 21.950 867 HE ARG 101 HE ARG 101 18.953 22.740 23.934 868 HH11 ARG 101 HH11 ARG 101 17.918 19.721 22.436 869 HH12 ARG 101 HH12 ARG 101 19.472 18.971 22.610 870 HH21 ARG 101 HH21 ARG 101 20.968 21.736 24.158 871 HH22 ARG 101 HH22 ARG 101 21.199 20.115 23.585 872 H GLU 102 H GLU 102 14.066 25.515 21.394 873 HA GLU 102 HA GLU 102 14.735 28.249 21.714 874 HB2 GLU 102 HB2 GLU 102 17.028 26.495 21.570 875 HB3 GLU 102 HB3 GLU 102 16.920 27.273 20.002 876 HG2 GLU 102 HG2 GLU 102 17.214 28.626 22.701 877 HG3 GLU 102 HG3 GLU 102 18.414 28.526 21.414 878 H SER 103 H SER 103 14.886 29.324 19.483 879 HA SER 103 HA SER 103 13.562 27.846 17.346 880 HB2 SER 103 HB2 SER 103 13.288 30.337 17.554 881 HB3 SER 103 HB3 SER 103 15.005 30.541 17.198 882 HG SER 103 HG SER 103 13.516 30.733 15.364 883 H LYS 104 H LYS 104 16.766 29.023 18.229 884 HA LYS 104 HA LYS 104 18.875 28.413 17.828 885 HB2 LYS 104 HB2 LYS 104 18.055 26.088 18.248 886 HB3 LYS 104 HB3 LYS 104 17.712 25.913 16.536 887 HG2 LYS 104 HG2 LYS 104 19.773 24.774 17.038 888 HG3 LYS 104 HG3 LYS 104 20.139 26.186 16.043 889 HD2 LYS 104 HD2 LYS 104 20.930 27.418 17.994 890 HD3 LYS 104 HD3 LYS 104 20.422 26.120 19.080 891 HE2 LYS 104 HE2 LYS 104 22.870 26.110 18.674 892 HE3 LYS 104 HE3 LYS 104 22.109 24.621 18.112 893 HZ1 LYS 104 HZ1 LYS 104 22.843 26.927 16.383 894 HZ2 LYS 104 HZ2 LYS 104 22.169 25.464 15.860 895 HZ3 LYS 104 HZ3 LYS 104 23.723 25.489 16.525 896 H LYS 105 H LYS 105 17.383 27.022 14.929 897 HA LYS 105 HA LYS 105 17.891 29.419 13.343 898 HB2 LYS 105 HB2 LYS 105 19.864 27.992 12.938 899 HB3 LYS 105 HB3 LYS 105 18.833 26.614 12.581 900 HG2 LYS 105 HG2 LYS 105 18.021 27.678 10.549 901 HG3 LYS 105 HG3 LYS 105 18.916 29.156 10.921 902 HD2 LYS 105 HD2 LYS 105 20.168 26.431 10.400 903 HD3 LYS 105 HD3 LYS 105 20.059 27.741 9.218 904 HE2 LYS 105 HE2 LYS 105 21.563 27.860 11.858 905 HE3 LYS 105 HE3 LYS 105 22.290 27.647 10.261 906 HZ1 LYS 105 HZ1 LYS 105 22.411 29.942 11.014 907 HZ2 LYS 105 HZ2 LYS 105 20.726 30.024 11.122 908 HZ3 LYS 105 HZ3 LYS 105 21.470 29.812 9.619 909 H LYS 106 H LYS 106 16.279 29.676 11.755 910 HA LYS 106 HA LYS 106 13.777 28.500 12.188 911 HB2 LYS 106 HB2 LYS 106 12.943 29.744 10.320 912 HB3 LYS 106 HB3 LYS 106 14.193 30.741 11.050 913 HG2 LYS 106 HG2 LYS 106 14.539 29.065 8.547 914 HG3 LYS 106 HG3 LYS 106 14.196 30.781 8.554 915 HD2 LYS 106 HD2 LYS 106 16.473 30.640 10.141 916 HD3 LYS 106 HD3 LYS 106 16.739 29.322 8.991 917 HE2 LYS 106 HE2 LYS 106 16.083 32.168 8.196 918 HE3 LYS 106 HE3 LYS 106 17.718 31.519 8.294 919 HZ1 LYS 106 HZ1 LYS 106 17.073 29.864 6.605 920 HZ2 LYS 106 HZ2 LYS 106 16.954 31.450 6.038 921 HZ3 LYS 106 HZ3 LYS 106 15.558 30.606 6.471 922 H LYS 107 H LYS 107 12.545 27.079 10.916 923 HA LYS 107 HA LYS 107 14.157 24.888 9.753 924 HB2 LYS 107 HB2 LYS 107 12.697 24.501 11.868 925 HB3 LYS 107 HB3 LYS 107 11.303 24.642 10.806 926 HG2 LYS 107 HG2 LYS 107 11.910 22.285 11.203 927 HG3 LYS 107 HG3 LYS 107 12.076 22.713 9.492 928 HD2 LYS 107 HD2 LYS 107 14.542 23.092 9.911 929 HD3 LYS 107 HD3 LYS 107 14.308 22.463 11.543 930 HE2 LYS 107 HE2 LYS 107 13.724 20.921 9.002 931 HE3 LYS 107 HE3 LYS 107 15.221 20.799 9.922 932 HZ1 LYS 107 HZ1 LYS 107 13.648 19.011 10.446 933 HZ2 LYS 107 HZ2 LYS 107 12.525 20.147 10.988 934 HZ3 LYS 107 HZ3 LYS 107 13.991 19.956 11.805 935 H LEU 108 H LEU 108 13.250 23.780 7.869 936 HA LEU 108 HA LEU 108 12.137 25.566 5.923 937 HB2 LEU 108 HB2 LEU 108 13.802 23.653 5.507 938 HB3 LEU 108 HB3 LEU 108 12.462 22.546 5.667 939 HG LEU 108 HG LEU 108 13.153 23.005 3.300 940 HD11 LEU 108 HD11 LEU 108 10.957 23.245 2.334 941 HD12 LEU 108 HD12 LEU 108 10.319 23.873 3.857 942 HD13 LEU 108 HD13 LEU 108 10.889 22.205 3.758 943 HD21 LEU 108 HD21 LEU 108 12.589 25.128 2.229 944 HD22 LEU 108 HD22 LEU 108 13.779 25.347 3.510 945 HD23 LEU 108 HD23 LEU 108 12.094 25.799 3.789 946 H TRP 109 H TRP 109 10.064 26.196 6.338 947 HA TRP 109 HA TRP 109 7.943 24.288 6.940 948 HB2 TRP 109 HB2 TRP 109 7.855 27.281 6.352 949 HB3 TRP 109 HB3 TRP 109 6.440 26.310 6.726 950 HD1 TRP 109 HD1 TRP 109 9.844 26.994 8.478 951 HE1 TRP 109 HE1 TRP 109 9.401 27.383 10.963 952 HE3 TRP 109 HE3 TRP 109 4.768 26.374 8.486 953 HZ2 TRP 109 HZ2 TRP 109 7.189 27.456 12.721 954 HZ3 TRP 109 HZ3 TRP 109 3.551 26.643 10.617 955 HH2 TRP 109 HH2 TRP 109 4.742 27.177 12.692 956 H MET 110 H MET 110 6.023 24.226 5.496 957 HA MET 110 HA MET 110 6.487 24.679 2.644 958 HB2 MET 110 HB2 MET 110 5.646 22.280 2.182 959 HB3 MET 110 HB3 MET 110 7.294 22.443 2.763 960 HG2 MET 110 HG2 MET 110 6.600 21.809 5.009 961 HG3 MET 110 HG3 MET 110 4.926 21.686 4.473 962 HE1 MET 110 HE1 MET 110 4.905 20.132 1.762 963 HE2 MET 110 HE2 MET 110 3.931 19.684 3.167 964 HE3 MET 110 HE3 MET 110 4.887 18.458 2.332 965 H ALA 111 H ALA 111 4.538 24.602 1.390 966 HA ALA 111 HA ALA 111 2.019 24.916 2.924 967 HB1 ALA 111 HB1 ALA 111 2.907 27.145 2.439 968 HB2 ALA 111 HB2 ALA 111 1.451 26.851 1.490 969 HB3 ALA 111 HB3 ALA 111 3.040 26.753 0.723 970 H ILE 112 H ILE 112 0.911 23.197 2.257 971 HA ILE 112 HA ILE 112 1.111 22.098 -0.428 972 HB ILE 112 HB ILE 112 -0.709 21.250 1.876 973 HG12 ILE 112 HG12 ILE 112 2.026 20.068 1.204 974 HG13 ILE 112 HG13 ILE 112 1.746 21.217 2.509 975 HG21 ILE 112 HG21 ILE 112 -1.410 20.371 -0.304 976 HG22 ILE 112 HG22 ILE 112 -0.809 19.074 0.725 977 HG23 ILE 112 HG23 ILE 112 0.204 19.706 -0.574 978 HD11 ILE 112 HD11 ILE 112 0.542 18.449 2.311 979 HD12 ILE 112 HD12 ILE 112 0.274 19.603 3.620 980 HD13 ILE 112 HD13 ILE 112 1.884 18.941 3.343 981 H GLU 113 H GLU 113 -0.197 22.865 -2.085 982 HA GLU 113 HA GLU 113 -2.513 24.519 -1.441 983 HB2 GLU 113 HB2 GLU 113 -1.178 25.312 -3.291 984 HB3 GLU 113 HB3 GLU 113 -1.266 23.771 -4.126 985 HG2 GLU 113 HG2 GLU 113 -3.642 24.092 -4.574 986 HG3 GLU 113 HG3 GLU 113 -3.673 25.547 -3.579 987 H LEU 114 H LEU 114 -4.101 23.260 -0.596 988 HA LEU 114 HA LEU 114 -5.008 20.819 -1.865 989 HB2 LEU 114 HB2 LEU 114 -5.925 22.428 0.541 990 HB3 LEU 114 HB3 LEU 114 -6.969 21.187 -0.113 991 HG LEU 114 HG LEU 114 -5.787 20.205 1.716 992 HD11 LEU 114 HD11 LEU 114 -4.579 18.382 0.623 993 HD12 LEU 114 HD12 LEU 114 -4.544 19.286 -0.887 994 HD13 LEU 114 HD13 LEU 114 -6.084 18.764 -0.197 995 HD21 LEU 114 HD21 LEU 114 -3.316 20.070 1.826 996 HD22 LEU 114 HD22 LEU 114 -3.927 21.722 1.978 997 HD23 LEU 114 HD23 LEU 114 -3.213 21.181 0.455 998 H GLU 115 H GLU 115 -6.540 20.638 -3.376 999 HA GLU 115 HA GLU 115 -8.580 22.720 -3.752 1000 HB2 GLU 115 HB2 GLU 115 -8.235 22.729 -6.186 1001 HB3 GLU 115 HB3 GLU 115 -6.752 23.199 -5.363 1002 HG2 GLU 115 HG2 GLU 115 -5.850 21.797 -6.914 1003 HG3 GLU 115 HG3 GLU 115 -6.156 20.624 -5.639 1004 H ASP 116 H ASP 116 -10.377 21.876 -5.161 1005 HA ASP 116 HA ASP 116 -12.093 20.435 -5.504 1006 HB2 ASP 116 HB2 ASP 116 -10.434 19.527 -7.138 1007 HB3 ASP 116 HB3 ASP 116 -9.835 18.419 -5.913 1008 H VAL 117 H VAL 117 -11.682 20.921 -2.850 1009 HA VAL 117 HA VAL 117 -11.171 18.618 -1.269 1010 HB VAL 117 HB VAL 117 -12.563 21.176 -0.383 1011 HG11 VAL 117 HG11 VAL 117 -11.170 19.001 1.225 1012 HG12 VAL 117 HG12 VAL 117 -12.910 19.283 1.162 1013 HG13 VAL 117 HG13 VAL 117 -11.848 20.492 1.890 1014 HG21 VAL 117 HG21 VAL 117 -9.597 20.461 -0.278 1015 HG22 VAL 117 HG22 VAL 117 -10.329 21.914 0.400 1016 HG23 VAL 117 HG23 VAL 117 -10.325 21.664 -1.348 1017 H LYS 118 H LYS 118 -12.407 16.923 -1.251 1018 HA LYS 118 HA LYS 118 -15.260 16.944 -1.787 1019 HB2 LYS 118 HB2 LYS 118 -13.343 15.228 -2.549 1020 HB3 LYS 118 HB3 LYS 118 -13.704 14.466 -1.011 1021 HG2 LYS 118 HG2 LYS 118 -14.940 13.352 -2.738 1022 HG3 LYS 118 HG3 LYS 118 -16.075 14.238 -1.719 1023 HD2 LYS 118 HD2 LYS 118 -16.585 14.383 -4.164 1024 HD3 LYS 118 HD3 LYS 118 -16.366 15.953 -3.399 1025 HE2 LYS 118 HE2 LYS 118 -13.995 14.691 -4.755 1026 HE3 LYS 118 HE3 LYS 118 -15.263 15.381 -5.759 1027 HZ1 LYS 118 HZ1 LYS 118 -13.559 16.981 -5.391 1028 HZ2 LYS 118 HZ2 LYS 118 -13.657 16.809 -3.714 1029 HZ3 LYS 118 HZ3 LYS 118 -14.948 17.492 -4.572 1030 H LYS 119 H LYS 119 -16.777 15.837 -0.346 1031 HA LYS 119 HA LYS 119 -16.108 15.999 2.537 1032 HB2 LYS 119 HB2 LYS 119 -18.201 17.413 0.997 1033 HB3 LYS 119 HB3 LYS 119 -18.905 16.491 2.310 1034 HG2 LYS 119 HG2 LYS 119 -16.739 18.601 2.591 1035 HG3 LYS 119 HG3 LYS 119 -18.449 18.824 2.960 1036 HD2 LYS 119 HD2 LYS 119 -16.462 17.015 4.404 1037 HD3 LYS 119 HD3 LYS 119 -17.239 18.465 5.040 1038 HE2 LYS 119 HE2 LYS 119 -19.448 17.269 4.903 1039 HE3 LYS 119 HE3 LYS 119 -18.581 15.825 4.388 1040 HZ1 LYS 119 HZ1 LYS 119 -19.081 15.818 6.759 1041 HZ2 LYS 119 HZ2 LYS 119 -18.139 17.206 6.959 1042 HZ3 LYS 119 HZ3 LYS 119 -17.416 15.763 6.455 1043 H TYR 120 H TYR 120 -16.158 13.997 3.371 1044 HA TYR 120 HA TYR 120 -17.870 11.873 2.399 1045 HB2 TYR 120 HB2 TYR 120 -16.220 12.042 4.964 1046 HB3 TYR 120 HB3 TYR 120 -17.043 10.599 4.386 1047 HD1 TYR 120 HD1 TYR 120 -16.160 11.123 1.351 1048 HD2 TYR 120 HD2 TYR 120 -14.083 10.928 5.073 1049 HE1 TYR 120 HE1 TYR 120 -14.118 10.392 0.184 1050 HE2 TYR 120 HE2 TYR 120 -12.049 10.212 3.915 1051 HH TYR 120 HH TYR 120 -11.683 10.392 0.547 1052 H ASP 121 H ASP 121 -19.978 12.540 2.595 1053 HA ASP 121 HA ASP 121 -21.240 13.692 4.849 1054 HB2 ASP 121 HB2 ASP 121 -22.244 13.746 2.598 1055 HB3 ASP 121 HB3 ASP 121 -22.367 11.993 2.579 1056 H LYS 122 H LYS 122 -20.504 10.380 3.951 1057 HA LYS 122 HA LYS 122 -21.868 9.228 6.256 1058 HB2 LYS 122 HB2 LYS 122 -20.958 7.058 5.377 1059 HB3 LYS 122 HB3 LYS 122 -21.957 7.936 4.229 1060 HG2 LYS 122 HG2 LYS 122 -19.831 8.768 3.134 1061 HG3 LYS 122 HG3 LYS 122 -18.932 7.687 4.204 1062 HD2 LYS 122 HD2 LYS 122 -19.262 6.635 2.008 1063 HD3 LYS 122 HD3 LYS 122 -20.141 5.740 3.251 1064 HE2 LYS 122 HE2 LYS 122 -22.245 6.842 2.558 1065 HE3 LYS 122 HE3 LYS 122 -21.369 7.775 1.345 1066 HZ1 LYS 122 HZ1 LYS 122 -22.466 5.903 0.349 1067 HZ2 LYS 122 HZ2 LYS 122 -21.686 4.825 1.391 1068 HZ3 LYS 122 HZ3 LYS 122 -20.792 5.692 0.249 1069 HA PRO 123 HA PRO 123 -18.212 9.640 8.853 1070 HB2 PRO 123 HB2 PRO 123 -18.959 8.100 10.970 1071 HB3 PRO 123 HB3 PRO 123 -19.745 9.646 10.617 1072 HG2 PRO 123 HG2 PRO 123 -20.685 6.854 9.978 1073 HG3 PRO 123 HG3 PRO 123 -21.617 8.225 10.614 1074 HD2 PRO 123 HD2 PRO 123 -21.613 7.497 7.951 1075 HD3 PRO 123 HD3 PRO 123 -21.919 9.156 8.513 1076 H ILE 124 H ILE 124 -16.763 8.612 7.369 1077 HA ILE 124 HA ILE 124 -16.370 5.741 7.353 1078 HB ILE 124 HB ILE 124 -14.616 7.965 6.201 1079 HG12 ILE 124 HG12 ILE 124 -16.759 6.230 4.897 1080 HG13 ILE 124 HG13 ILE 124 -16.821 7.970 5.142 1081 HG21 ILE 124 HG21 ILE 124 -13.539 6.209 4.831 1082 HG22 ILE 124 HG22 ILE 124 -14.482 4.972 5.662 1083 HG23 ILE 124 HG23 ILE 124 -13.292 5.922 6.556 1084 HD11 ILE 124 HD11 ILE 124 -14.964 6.493 3.274 1085 HD12 ILE 124 HD12 ILE 124 -14.985 8.241 3.527 1086 HD13 ILE 124 HD13 ILE 124 -16.388 7.434 2.832 1087 H LYS 125 H LYS 125 -14.974 4.595 8.609 1088 HA LYS 125 HA LYS 125 -13.486 6.035 10.711 1089 HB2 LYS 125 HB2 LYS 125 -13.665 4.118 12.116 1090 HB3 LYS 125 HB3 LYS 125 -15.252 4.329 11.405 1091 HG2 LYS 125 HG2 LYS 125 -13.202 2.283 10.492 1092 HG3 LYS 125 HG3 LYS 125 -14.514 1.950 11.617 1093 HD2 LYS 125 HD2 LYS 125 -14.831 2.781 8.701 1094 HD3 LYS 125 HD3 LYS 125 -15.027 1.148 9.337 1095 HE2 LYS 125 HE2 LYS 125 -16.934 1.960 10.733 1096 HE3 LYS 125 HE3 LYS 125 -16.764 3.555 9.997 1097 HZ1 LYS 125 HZ1 LYS 125 -18.489 2.304 8.919 1098 HZ2 LYS 125 HZ2 LYS 125 -17.432 1.028 8.592 1099 HZ3 LYS 125 HZ3 LYS 125 -17.211 2.524 7.834 1100 HA PRO 126 HA PRO 126 -9.663 4.570 8.795 1101 HB2 PRO 126 HB2 PRO 126 -7.875 5.140 10.762 1102 HB3 PRO 126 HB3 PRO 126 -8.649 6.400 9.795 1103 HG2 PRO 126 HG2 PRO 126 -9.298 5.481 12.578 1104 HG3 PRO 126 HG3 PRO 126 -9.283 7.127 11.909 1105 HD2 PRO 126 HD2 PRO 126 -11.582 5.601 12.268 1106 HD3 PRO 126 HD3 PRO 126 -11.442 6.952 11.122 1107 H LYS 127 H LYS 127 -8.063 2.935 8.986 1108 HA LYS 127 HA LYS 127 -8.870 0.492 10.205 1109 HB2 LYS 127 HB2 LYS 127 -6.231 1.281 8.899 1110 HB3 LYS 127 HB3 LYS 127 -6.646 -0.362 9.369 1111 HG2 LYS 127 HG2 LYS 127 -8.247 1.241 7.342 1112 HG3 LYS 127 HG3 LYS 127 -6.899 0.195 6.908 1113 HD2 LYS 127 HD2 LYS 127 -8.713 -1.221 6.543 1114 HD3 LYS 127 HD3 LYS 127 -8.252 -1.667 8.182 1115 HE2 LYS 127 HE2 LYS 127 -10.073 -0.151 9.034 1116 HE3 LYS 127 HE3 LYS 127 -10.559 0.136 7.364 1117 HZ1 LYS 127 HZ1 LYS 127 -10.992 -2.228 7.133 1118 HZ2 LYS 127 HZ2 LYS 127 -11.902 -1.568 8.395 1119 HZ3 LYS 127 HZ3 LYS 127 -10.529 -2.494 8.737 1120 H ARG 128 H ARG 128 -6.156 2.662 10.774 1121 HA ARG 128 HA ARG 128 -5.913 1.749 13.584 1122 HB2 ARG 128 HB2 ARG 128 -3.527 2.244 13.487 1123 HB3 ARG 128 HB3 ARG 128 -3.927 1.140 12.176 1124 HG2 ARG 128 HG2 ARG 128 -3.855 2.984 10.558 1125 HG3 ARG 128 HG3 ARG 128 -3.564 4.142 11.860 1126 HD2 ARG 128 HD2 ARG 128 -1.701 1.902 10.991 1127 HD3 ARG 128 HD3 ARG 128 -1.472 3.633 10.711 1128 HE ARG 128 HE ARG 128 -1.750 2.976 13.499 1129 HH11 ARG 128 HH11 ARG 128 0.597 3.181 10.897 1130 HH12 ARG 128 HH12 ARG 128 1.951 3.320 11.965 1131 HH21 ARG 128 HH21 ARG 128 0.010 3.124 14.889 1132 HH22 ARG 128 HH22 ARG 128 1.614 3.254 14.249 1133 H LEU 129 H LEU 129 -4.728 3.577 14.887 1134 HA LEU 129 HA LEU 129 -6.275 5.968 14.785 1135 HB2 LEU 129 HB2 LEU 129 -5.095 6.730 16.703 1136 HB3 LEU 129 HB3 LEU 129 -5.312 5.005 16.908 1137 HG LEU 129 HG LEU 129 -2.702 6.348 16.078 1138 HD11 LEU 129 HD11 LEU 129 -3.490 5.202 18.773 1139 HD12 LEU 129 HD12 LEU 129 -3.279 6.909 18.376 1140 HD13 LEU 129 HD13 LEU 129 -1.894 5.822 18.328 1141 HD21 LEU 129 HD21 LEU 129 -3.204 3.446 16.818 1142 HD22 LEU 129 HD22 LEU 129 -1.630 4.180 16.487 1143 HD23 LEU 129 HD23 LEU 129 -2.834 4.064 15.205 1144 H VAL 130 H VAL 130 -5.806 7.973 14.006 1145 HA VAL 130 HA VAL 130 -3.298 8.371 12.485 1146 HB VAL 130 HB VAL 130 -5.845 10.059 12.350 1147 HG11 VAL 130 HG11 VAL 130 -3.858 11.344 11.718 1148 HG12 VAL 130 HG12 VAL 130 -4.825 11.014 10.280 1149 HG13 VAL 130 HG13 VAL 130 -3.353 10.080 10.588 1150 HG21 VAL 130 HG21 VAL 130 -4.910 7.916 10.396 1151 HG22 VAL 130 HG22 VAL 130 -6.307 8.973 10.175 1152 HG23 VAL 130 HG23 VAL 130 -6.295 7.791 11.485 1153 HA PRO 131 HA PRO 131 -2.382 10.822 16.292 1154 HB2 PRO 131 HB2 PRO 131 0.320 10.990 15.940 1155 HB3 PRO 131 HB3 PRO 131 -0.457 9.516 16.539 1156 HG2 PRO 131 HG2 PRO 131 0.408 10.181 13.719 1157 HG3 PRO 131 HG3 PRO 131 0.711 8.701 14.658 1158 HD2 PRO 131 HD2 PRO 131 -1.300 8.819 12.852 1159 HD3 PRO 131 HD3 PRO 131 -1.472 7.901 14.365 1160 H VAL 132 H VAL 132 -1.087 12.898 16.595 1161 HA VAL 132 HA VAL 132 -2.024 14.985 14.974 1162 HB VAL 132 HB VAL 132 0.340 15.041 16.918 1163 HG11 VAL 132 HG11 VAL 132 0.377 17.033 15.475 1164 HG12 VAL 132 HG12 VAL 132 -0.066 17.483 17.120 1165 HG13 VAL 132 HG13 VAL 132 -1.309 17.382 15.871 1166 HG21 VAL 132 HG21 VAL 132 -1.721 14.224 18.007 1167 HG22 VAL 132 HG22 VAL 132 -2.602 15.652 17.455 1168 HG23 VAL 132 HG23 VAL 132 -1.285 15.822 18.619 1169 H GLY 133 H GLY 133 0.996 13.195 14.879 1170 HA2 GLY 133 HA2 GLY 133 2.402 14.752 12.951 1171 HA3 GLY 133 HA3 GLY 133 2.740 13.090 13.404 1172 H GLY 134 H GLY 134 -0.217 12.543 12.627 1173 HA2 GLY 134 HA2 GLY 134 -1.540 12.144 10.797 1174 HA3 GLY 134 HA3 GLY 134 -0.405 13.010 9.784 1175 H GLN 135 H GLN 135 -1.693 10.617 8.998 1176 HA GLN 135 HA GLN 135 0.521 8.628 8.919 1177 HB2 GLN 135 HB2 GLN 135 -2.489 8.199 8.565 1178 HB3 GLN 135 HB3 GLN 135 -1.276 6.949 8.308 1179 HG2 GLN 135 HG2 GLN 135 -1.868 8.336 10.937 1180 HG3 GLN 135 HG3 GLN 135 -2.376 6.708 10.476 1181 HE21 GLN 135 HE21 GLN 135 0.315 8.713 11.440 1182 HE22 GLN 135 HE22 GLN 135 1.398 7.427 11.793 1183 H TYR 136 H TYR 136 1.212 7.882 6.928 1184 HA TYR 136 HA TYR 136 0.347 9.256 4.512 1185 HB2 TYR 136 HB2 TYR 136 2.439 7.119 5.051 1186 HB3 TYR 136 HB3 TYR 136 1.978 7.554 3.407 1187 HD1 TYR 136 HD1 TYR 136 1.938 10.229 2.981 1188 HD2 TYR 136 HD2 TYR 136 4.349 8.223 5.902 1189 HE1 TYR 136 HE1 TYR 136 3.573 12.078 2.928 1190 HE2 TYR 136 HE2 TYR 136 5.964 10.072 5.846 1191 HH TYR 136 HH TYR 136 6.686 11.803 4.378 1192 H LEU 137 H LEU 137 -1.491 8.681 3.595 1193 HA LEU 137 HA LEU 137 -2.633 6.020 3.823 1194 HB2 LEU 137 HB2 LEU 137 -3.823 8.438 3.616 1195 HB3 LEU 137 HB3 LEU 137 -3.711 8.094 1.905 1196 HG LEU 137 HG LEU 137 -5.224 6.446 3.980 1197 HD11 LEU 137 HD11 LEU 137 -7.241 7.193 2.801 1198 HD12 LEU 137 HD12 LEU 137 -6.251 8.192 1.730 1199 HD13 LEU 137 HD13 LEU 137 -6.321 8.549 3.457 1200 HD21 LEU 137 HD21 LEU 137 -6.100 5.087 2.124 1201 HD22 LEU 137 HD22 LEU 137 -4.352 4.931 2.250 1202 HD23 LEU 137 HD23 LEU 137 -5.052 5.940 0.985 1203 H ARG 138 H ARG 138 -2.012 4.421 2.466 1204 HA ARG 138 HA ARG 138 -1.130 5.099 -0.285 1205 HB2 ARG 138 HB2 ARG 138 0.416 3.299 -0.328 1206 HB3 ARG 138 HB3 ARG 138 0.705 4.101 1.197 1207 HG2 ARG 138 HG2 ARG 138 -0.849 1.506 0.859 1208 HG3 ARG 138 HG3 ARG 138 0.857 1.622 1.297 1209 HD2 ARG 138 HD2 ARG 138 0.276 2.806 3.369 1210 HD3 ARG 138 HD3 ARG 138 -1.434 2.745 2.941 1211 HE ARG 138 HE ARG 138 -1.066 0.210 2.978 1212 HH11 ARG 138 HH11 ARG 138 0.725 2.391 5.100 1213 HH12 ARG 138 HH12 ARG 138 0.837 1.229 6.382 1214 HH21 ARG 138 HH21 ARG 138 -0.898 -1.301 4.663 1215 HH22 ARG 138 HH22 ARG 138 -0.090 -0.863 6.133 1216 H GLU 139 H GLU 139 -2.116 3.970 -1.996 1217 HA GLU 139 HA GLU 139 -3.770 1.646 -1.371 1218 HB2 GLU 139 HB2 GLU 139 -5.224 3.690 -0.891 1219 HB3 GLU 139 HB3 GLU 139 -5.118 4.084 -2.600 1220 HG2 GLU 139 HG2 GLU 139 -7.213 2.940 -2.104 1221 HG3 GLU 139 HG3 GLU 139 -6.205 1.984 -3.193
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