NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
649990 | 6o6w | 30584 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 17.848 16.666 7.931 2 H2 GLY 1 HT2 GLY 1 19.499 17.068 7.963 3 H3 GLY 1 HT3 GLY 1 18.490 17.495 9.263 4 HA2 GLY 1 HA2 GLY 1 20.057 15.301 9.183 5 HA3 GLY 1 HA3 GLY 1 18.648 15.502 10.226 6 H SER 2 H SER 2 19.791 13.089 8.856 7 HA SER 2 HA SER 2 17.291 12.188 7.576 8 HB2 SER 2 HB2 SER 2 18.865 12.612 5.769 9 HB3 SER 2 HB3 SER 2 20.095 11.651 6.582 10 HG SER 2 HG SER 2 19.196 10.173 5.312 11 H LYS 3 H LYS 3 16.488 10.463 8.546 12 HA LYS 3 HA LYS 3 18.311 8.525 9.821 13 HB2 LYS 3 HB2 LYS 3 15.782 9.655 11.050 14 HB3 LYS 3 HB3 LYS 3 16.711 8.305 11.709 15 HG2 LYS 3 HG2 LYS 3 18.701 9.774 11.895 16 HG3 LYS 3 HG3 LYS 3 17.746 11.125 11.273 17 HD2 LYS 3 HD2 LYS 3 16.205 10.933 13.184 18 HD3 LYS 3 HD3 LYS 3 17.141 9.575 13.810 19 HE2 LYS 3 HE2 LYS 3 17.804 11.630 14.965 20 HE3 LYS 3 HE3 LYS 3 19.138 11.050 13.970 21 HZ1 LYS 3 HZ1 LYS 3 17.546 12.745 12.391 22 HZ2 LYS 3 HZ2 LYS 3 19.141 12.983 12.918 23 HZ3 LYS 3 HZ3 LYS 3 17.842 13.534 13.861 24 H GLY 4 H GLY 4 17.584 6.376 9.851 25 HA2 GLY 4 HA2 GLY 4 15.865 5.630 7.676 26 HA3 GLY 4 HA3 GLY 4 16.639 4.531 8.815 27 H THR 5 H THR 5 14.063 4.048 7.971 28 HA THR 5 HA THR 5 12.487 4.580 10.420 29 HB THR 5 HB THR 5 10.448 4.683 9.043 30 HG1 THR 5 HG1 THR 5 10.586 4.615 6.852 31 HG21 THR 5 HG21 THR 5 10.724 6.903 8.300 32 HG22 THR 5 HG22 THR 5 12.412 6.643 7.864 33 HG23 THR 5 HG23 THR 5 11.945 6.737 9.561 34 H VAL 6 H VAL 6 10.850 2.972 10.900 35 HA VAL 6 HA VAL 6 11.454 0.300 9.773 36 HB VAL 6 HB VAL 6 10.852 0.969 12.681 37 HG11 VAL 6 HG11 VAL 6 11.391 -1.671 11.285 38 HG12 VAL 6 HG12 VAL 6 9.920 -1.203 12.137 39 HG13 VAL 6 HG13 VAL 6 11.414 -1.464 13.037 40 HG21 VAL 6 HG21 VAL 6 13.177 0.183 13.070 41 HG22 VAL 6 HG22 VAL 6 13.147 1.588 12.006 42 HG23 VAL 6 HG23 VAL 6 13.391 -0.023 11.331 43 H SER 7 H SER 7 9.752 -0.757 8.979 44 HA SER 7 HA SER 7 7.032 0.023 9.838 45 HB2 SER 7 HB2 SER 7 7.959 -0.589 7.023 46 HB3 SER 7 HB3 SER 7 6.284 -0.355 7.507 47 HG SER 7 HG SER 7 7.010 1.738 8.318 48 H GLU 8 H GLU 8 5.482 -1.615 9.885 49 HA GLU 8 HA GLU 8 6.481 -4.375 9.533 50 HB2 GLU 8 HB2 GLU 8 6.433 -3.740 11.948 51 HB3 GLU 8 HB3 GLU 8 4.701 -3.425 11.802 52 HG2 GLU 8 HG2 GLU 8 5.018 -5.677 12.690 53 HG3 GLU 8 HG3 GLU 8 4.371 -5.792 11.059 54 HA PRO 9 HA PRO 9 2.548 -3.876 7.067 55 HB2 PRO 9 HB2 PRO 9 3.170 -5.625 5.094 56 HB3 PRO 9 HB3 PRO 9 3.763 -3.948 5.105 57 HG2 PRO 9 HG2 PRO 9 5.167 -6.448 5.936 58 HG3 PRO 9 HG3 PRO 9 5.765 -5.092 4.961 59 HD2 PRO 9 HD2 PRO 9 6.371 -5.330 7.590 60 HD3 PRO 9 HD3 PRO 9 6.158 -3.743 6.811 61 H THR 10 H THR 10 0.761 -5.222 6.889 62 HA THR 10 HA THR 10 0.974 -7.918 8.093 63 HB THR 10 HB THR 10 -1.292 -5.920 8.417 64 HG1 THR 10 HG1 THR 10 -0.419 -5.464 10.301 65 HG21 THR 10 HG21 THR 10 -1.990 -7.632 10.195 66 HG22 THR 10 HG22 THR 10 -0.854 -8.739 9.424 67 HG23 THR 10 HG23 THR 10 -2.230 -8.115 8.515 68 H THR 11 H THR 11 0.084 -9.556 6.941 69 HA THR 11 HA THR 11 -1.225 -8.851 4.415 70 HB THR 11 HB THR 11 -0.809 -11.320 3.887 71 HG1 THR 11 HG1 THR 11 -0.422 -11.781 6.163 72 HG21 THR 11 HG21 THR 11 0.613 -9.897 2.737 73 HG22 THR 11 HG22 THR 11 1.764 -10.837 3.682 74 HG23 THR 11 HG23 THR 11 1.316 -9.215 4.208 75 H VAL 12 H VAL 12 -3.184 -9.573 3.782 76 HA VAL 12 HA VAL 12 -4.755 -11.172 5.696 77 HB VAL 12 HB VAL 12 -5.727 -8.669 4.265 78 HG11 VAL 12 HG11 VAL 12 -7.155 -10.589 6.130 79 HG12 VAL 12 HG12 VAL 12 -7.539 -10.283 4.435 80 HG13 VAL 12 HG13 VAL 12 -7.792 -9.020 5.639 81 HG21 VAL 12 HG21 VAL 12 -4.214 -8.335 6.271 82 HG22 VAL 12 HG22 VAL 12 -5.421 -9.183 7.239 83 HG23 VAL 12 HG23 VAL 12 -5.832 -7.659 6.453 84 H ALA 13 H ALA 13 -5.819 -12.840 4.781 85 HA ALA 13 HA ALA 13 -5.953 -12.967 1.835 86 HB1 ALA 13 HB1 ALA 13 -4.668 -14.798 2.529 87 HB2 ALA 13 HB2 ALA 13 -6.281 -15.484 2.335 88 HB3 ALA 13 HB3 ALA 13 -5.678 -15.089 3.945 89 H PHE 14 H PHE 14 -7.880 -13.481 0.795 90 HA PHE 14 HA PHE 14 -10.238 -14.046 2.419 91 HB2 PHE 14 HB2 PHE 14 -11.566 -12.214 1.505 92 HB3 PHE 14 HB3 PHE 14 -10.156 -11.574 2.342 93 HD1 PHE 14 HD1 PHE 14 -11.779 -12.074 -0.918 94 HD2 PHE 14 HD2 PHE 14 -8.286 -10.569 1.078 95 HE1 PHE 14 HE1 PHE 14 -11.118 -10.871 -2.981 96 HE2 PHE 14 HE2 PHE 14 -7.627 -9.366 -0.994 97 HZ PHE 14 HZ PHE 14 -9.043 -9.518 -3.019 98 H ASP 15 H ASP 15 -12.140 -14.626 1.136 99 HA ASP 15 HA ASP 15 -11.304 -16.125 -1.240 100 HB2 ASP 15 HB2 ASP 15 -13.804 -16.377 0.446 101 HB3 ASP 15 HB3 ASP 15 -13.335 -17.440 -0.882 102 H VAL 16 H VAL 16 -11.933 -15.543 -3.248 103 HA VAL 16 HA VAL 16 -14.027 -13.485 -3.528 104 HB VAL 16 HB VAL 16 -12.041 -14.595 -5.560 105 HG11 VAL 16 HG11 VAL 16 -12.841 -12.925 -7.096 106 HG12 VAL 16 HG12 VAL 16 -13.851 -12.182 -5.859 107 HG13 VAL 16 HG13 VAL 16 -14.269 -13.770 -6.499 108 HG21 VAL 16 HG21 VAL 16 -12.194 -11.871 -4.241 109 HG22 VAL 16 HG22 VAL 16 -10.941 -12.433 -5.345 110 HG23 VAL 16 HG23 VAL 16 -11.089 -13.151 -3.739 111 H ARG 17 H ARG 17 -15.988 -14.348 -3.553 112 HA ARG 17 HA ARG 17 -16.416 -16.911 -4.935 113 HB2 ARG 17 HB2 ARG 17 -18.049 -15.567 -2.773 114 HB3 ARG 17 HB3 ARG 17 -18.477 -17.087 -3.561 115 HG2 ARG 17 HG2 ARG 17 -16.451 -18.155 -2.758 116 HG3 ARG 17 HG3 ARG 17 -15.847 -16.624 -2.112 117 HD2 ARG 17 HD2 ARG 17 -16.788 -18.000 -0.310 118 HD3 ARG 17 HD3 ARG 17 -17.743 -16.536 -0.535 119 HE ARG 17 HE ARG 17 -19.530 -17.865 -1.266 120 HH11 ARG 17 HH11 ARG 17 -16.625 -19.830 -1.063 121 HH12 ARG 17 HH12 ARG 17 -17.472 -21.322 -1.295 122 HH21 ARG 17 HH21 ARG 17 -20.594 -19.835 -1.576 123 HH22 ARG 17 HH22 ARG 17 -19.707 -21.322 -1.584 124 HA PRO 18 HA PRO 18 -18.640 -14.199 -7.910 125 HB2 PRO 18 HB2 PRO 18 -18.972 -15.948 -9.889 126 HB3 PRO 18 HB3 PRO 18 -17.381 -15.236 -9.553 127 HG2 PRO 18 HG2 PRO 18 -18.456 -17.906 -8.755 128 HG3 PRO 18 HG3 PRO 18 -16.875 -17.503 -9.458 129 HD2 PRO 18 HD2 PRO 18 -17.201 -17.896 -6.791 130 HD3 PRO 18 HD3 PRO 18 -16.015 -16.734 -7.437 131 H GLY 19 H GLY 19 -20.740 -14.443 -9.171 132 HA2 GLY 19 HA2 GLY 19 -22.762 -16.068 -9.248 133 HA3 GLY 19 HA3 GLY 19 -22.742 -15.834 -7.503 134 H GLY 20 H GLY 20 -21.785 -13.022 -9.210 135 HA2 GLY 20 HA2 GLY 20 -22.815 -11.030 -9.728 136 HA3 GLY 20 HA3 GLY 20 -24.341 -11.905 -9.815 137 H VAL 21 H VAL 21 -22.378 -12.034 -6.925 138 HA VAL 21 HA VAL 21 -24.392 -10.410 -5.491 139 HB VAL 21 HB VAL 21 -22.572 -12.589 -4.412 140 HG11 VAL 21 HG11 VAL 21 -23.936 -12.386 -2.351 141 HG12 VAL 21 HG12 VAL 21 -24.806 -11.031 -3.071 142 HG13 VAL 21 HG13 VAL 21 -23.084 -10.886 -2.718 143 HG21 VAL 21 HG21 VAL 21 -24.769 -13.816 -4.094 144 HG22 VAL 21 HG22 VAL 21 -24.303 -13.596 -5.780 145 HG23 VAL 21 HG23 VAL 21 -25.539 -12.561 -5.064 146 H VAL 22 H VAL 22 -23.773 -8.581 -4.605 147 HA VAL 22 HA VAL 22 -21.080 -7.629 -4.915 148 HB VAL 22 HB VAL 22 -23.443 -6.403 -3.436 149 HG11 VAL 22 HG11 VAL 22 -22.148 -4.258 -3.796 150 HG12 VAL 22 HG12 VAL 22 -20.771 -5.243 -4.287 151 HG13 VAL 22 HG13 VAL 22 -21.404 -5.369 -2.646 152 HG21 VAL 22 HG21 VAL 22 -23.572 -4.969 -5.514 153 HG22 VAL 22 HG22 VAL 22 -23.963 -6.667 -5.794 154 HG23 VAL 22 HG23 VAL 22 -22.382 -6.038 -6.259 155 H HIS 23 H HIS 23 -19.469 -8.052 -3.626 156 HA HIS 23 HA HIS 23 -20.003 -8.731 -0.790 157 HB2 HIS 23 HB2 HIS 23 -17.733 -9.667 -2.560 158 HB3 HIS 23 HB3 HIS 23 -17.917 -10.043 -0.848 159 HD2 HIS 23 HD2 HIS 23 -18.944 -11.526 -4.188 160 HE1 HIS 23 HE1 HIS 23 -21.632 -13.157 -1.373 161 HE2 HIS 23 HE2 HIS 23 -20.776 -13.336 -3.755 162 H SER 24 H SER 24 -18.929 -7.710 0.764 163 HA SER 24 HA SER 24 -16.994 -5.615 -0.036 164 HB2 SER 24 HB2 SER 24 -18.976 -5.597 2.248 165 HB3 SER 24 HB3 SER 24 -17.756 -4.359 1.955 166 HG SER 24 HG SER 24 -19.967 -5.114 0.345 167 H PHE 25 H PHE 25 -15.035 -5.784 0.746 168 HA PHE 25 HA PHE 25 -14.567 -7.320 3.234 169 HB2 PHE 25 HB2 PHE 25 -12.868 -7.364 0.723 170 HB3 PHE 25 HB3 PHE 25 -12.419 -8.108 2.260 171 HD1 PHE 25 HD1 PHE 25 -14.526 -8.366 -0.723 172 HD2 PHE 25 HD2 PHE 25 -13.715 -10.028 3.155 173 HE1 PHE 25 HE1 PHE 25 -15.816 -10.398 -1.322 174 HE2 PHE 25 HE2 PHE 25 -15.006 -12.058 2.555 175 HZ PHE 25 HZ PHE 25 -16.055 -12.243 0.316 176 H SER 26 H SER 26 -13.013 -6.475 4.622 177 HA SER 26 HA SER 26 -11.481 -4.144 3.808 178 HB2 SER 26 HB2 SER 26 -12.420 -2.650 5.475 179 HB3 SER 26 HB3 SER 26 -13.692 -3.218 4.394 180 HG SER 26 HG SER 26 -14.168 -4.811 6.007 181 H HIS 27 H HIS 27 -10.068 -3.338 5.519 182 HA HIS 27 HA HIS 27 -9.532 -5.241 7.686 183 HB2 HIS 27 HB2 HIS 27 -8.075 -5.826 5.726 184 HB3 HIS 27 HB3 HIS 27 -7.362 -4.214 5.839 185 HD2 HIS 27 HD2 HIS 27 -7.934 -7.049 8.606 186 HE1 HIS 27 HE1 HIS 27 -4.058 -5.433 9.034 187 HE2 HIS 27 HE2 HIS 27 -5.710 -7.122 9.966 188 H ASN 28 H ASN 28 -9.091 -4.269 9.546 189 HA ASN 28 HA ASN 28 -8.754 -1.348 9.567 190 HB2 ASN 28 HB2 ASN 28 -10.640 -2.575 10.838 191 HB3 ASN 28 HB3 ASN 28 -9.370 -3.041 11.973 192 HD21 ASN 28 HD21 ASN 28 -10.028 -1.679 13.730 193 HD22 ASN 28 HD22 ASN 28 -10.010 0.015 13.633 194 H VAL 29 H VAL 29 -7.387 -0.453 11.306 195 HA VAL 29 HA VAL 29 -4.981 -2.105 11.817 196 HB VAL 29 HB VAL 29 -5.102 0.879 11.215 197 HG11 VAL 29 HG11 VAL 29 -3.276 0.664 12.665 198 HG12 VAL 29 HG12 VAL 29 -2.510 0.471 11.094 199 HG13 VAL 29 HG13 VAL 29 -2.862 -0.947 12.084 200 HG21 VAL 29 HG21 VAL 29 -3.962 0.313 9.132 201 HG22 VAL 29 HG22 VAL 29 -5.433 -0.653 9.242 202 HG23 VAL 29 HG23 VAL 29 -3.869 -1.385 9.600 203 H GLY 30 H GLY 30 -4.419 -2.306 13.917 204 HA2 GLY 30 HA2 GLY 30 -6.064 -1.654 16.023 205 HA3 GLY 30 HA3 GLY 30 -4.341 -1.974 16.206 206 HA PRO 31 HA PRO 31 -3.340 2.281 17.287 207 HB2 PRO 31 HB2 PRO 31 -1.906 2.643 14.685 208 HB3 PRO 31 HB3 PRO 31 -1.353 2.982 16.342 209 HG2 PRO 31 HG2 PRO 31 -0.450 0.864 15.105 210 HG3 PRO 31 HG3 PRO 31 -0.953 0.740 16.805 211 HD2 PRO 31 HD2 PRO 31 -2.420 -0.182 14.349 212 HD3 PRO 31 HD3 PRO 31 -2.264 -0.972 15.937 213 H GLY 32 H GLY 32 -4.176 1.909 13.844 214 HA2 GLY 32 HA2 GLY 32 -5.478 4.532 13.743 215 HA3 GLY 32 HA3 GLY 32 -5.210 3.444 12.379 216 H ASP 33 H ASP 33 -7.197 4.019 15.242 217 HA ASP 33 HA ASP 33 -8.990 1.874 14.979 218 HB2 ASP 33 HB2 ASP 33 -8.810 3.338 16.977 219 HB3 ASP 33 HB3 ASP 33 -9.598 4.628 16.064 220 H LYS 34 H LYS 34 -8.960 5.056 13.455 221 HA LYS 34 HA LYS 34 -11.518 4.532 12.114 222 HB2 LYS 34 HB2 LYS 34 -9.753 6.979 12.163 223 HB3 LYS 34 HB3 LYS 34 -11.292 6.862 11.303 224 HG2 LYS 34 HG2 LYS 34 -12.397 6.267 13.467 225 HG3 LYS 34 HG3 LYS 34 -10.866 6.566 14.291 226 HD2 LYS 34 HD2 LYS 34 -12.193 8.638 12.538 227 HD3 LYS 34 HD3 LYS 34 -12.514 8.527 14.273 228 HE2 LYS 34 HE2 LYS 34 -10.065 8.794 14.698 229 HE3 LYS 34 HE3 LYS 34 -9.812 9.001 12.965 230 HZ1 LYS 34 HZ1 LYS 34 -10.902 11.010 12.953 231 HZ2 LYS 34 HZ2 LYS 34 -10.124 11.066 14.463 232 HZ3 LYS 34 HZ3 LYS 34 -11.777 10.681 14.367 233 H TYR 35 H TYR 35 -8.154 4.344 11.454 234 HA TYR 35 HA TYR 35 -8.342 4.719 8.590 235 HB2 TYR 35 HB2 TYR 35 -6.091 3.651 10.311 236 HB3 TYR 35 HB3 TYR 35 -5.964 3.992 8.586 237 HD1 TYR 35 HD1 TYR 35 -6.171 5.432 11.945 238 HD2 TYR 35 HD2 TYR 35 -6.148 6.319 7.742 239 HE1 TYR 35 HE1 TYR 35 -5.734 7.818 12.454 240 HE2 TYR 35 HE2 TYR 35 -5.710 8.708 8.253 241 HH TYR 35 HH TYR 35 -4.537 9.830 10.947 242 H THR 36 H THR 36 -9.097 3.270 7.205 243 HA THR 36 HA THR 36 -8.332 0.491 7.369 244 HB THR 36 HB THR 36 -10.252 0.487 8.893 245 HG1 THR 36 HG1 THR 36 -10.858 -1.317 8.041 246 HG21 THR 36 HG21 THR 36 -12.004 1.334 6.585 247 HG22 THR 36 HG22 THR 36 -11.342 2.511 7.719 248 HG23 THR 36 HG23 THR 36 -12.416 1.237 8.297 249 H CYS 37 H CYS 37 -9.044 -0.767 5.493 250 HA CYS 37 HA CYS 37 -9.635 0.936 3.134 251 HB2 CYS 37 HB2 CYS 37 -7.969 -1.606 3.236 252 HB3 CYS 37 HB3 CYS 37 -8.396 -0.732 1.763 253 H MET 38 H MET 38 -11.203 0.260 1.724 254 HA MET 38 HA MET 38 -12.688 -2.202 2.403 255 HB2 MET 38 HB2 MET 38 -13.853 0.457 1.575 256 HB3 MET 38 HB3 MET 38 -14.765 -1.038 1.769 257 HG2 MET 38 HG2 MET 38 -14.121 -1.187 4.101 258 HG3 MET 38 HG3 MET 38 -13.143 0.273 3.957 259 HE1 MET 38 HE1 MET 38 -15.042 -0.070 6.139 260 HE2 MET 38 HE2 MET 38 -16.173 1.279 6.188 261 HE3 MET 38 HE3 MET 38 -14.456 1.590 5.943 262 H PHE 39 H PHE 39 -13.524 -3.364 0.758 263 HA PHE 39 HA PHE 39 -13.015 -2.461 -1.997 264 HB2 PHE 39 HB2 PHE 39 -12.106 -5.127 -0.877 265 HB3 PHE 39 HB3 PHE 39 -11.979 -4.619 -2.563 266 HD1 PHE 39 HD1 PHE 39 -10.704 -4.116 0.856 267 HD2 PHE 39 HD2 PHE 39 -10.385 -2.878 -3.244 268 HE1 PHE 39 HE1 PHE 39 -8.588 -2.935 1.382 269 HE2 PHE 39 HE2 PHE 39 -8.268 -1.705 -2.717 270 HZ PHE 39 HZ PHE 39 -7.370 -1.727 -0.409 271 H THR 40 H THR 40 -14.899 -2.494 -2.936 272 HA THR 40 HA THR 40 -16.770 -4.737 -2.402 273 HB THR 40 HB THR 40 -17.420 -1.903 -3.289 274 HG1 THR 40 HG1 THR 40 -17.709 -1.503 -1.239 275 HG21 THR 40 HG21 THR 40 -19.186 -4.270 -2.589 276 HG22 THR 40 HG22 THR 40 -19.064 -3.471 -4.156 277 HG23 THR 40 HG23 THR 40 -19.775 -2.619 -2.786 278 H TYR 41 H TYR 41 -17.184 -6.060 -4.077 279 HA TYR 41 HA TYR 41 -17.133 -5.085 -6.819 280 HB2 TYR 41 HB2 TYR 41 -15.461 -6.737 -7.595 281 HB3 TYR 41 HB3 TYR 41 -14.763 -5.574 -6.471 282 HD1 TYR 41 HD1 TYR 41 -15.921 -9.064 -6.883 283 HD2 TYR 41 HD2 TYR 41 -14.027 -6.244 -4.254 284 HE1 TYR 41 HE1 TYR 41 -15.221 -10.919 -5.399 285 HE2 TYR 41 HE2 TYR 41 -13.322 -8.101 -2.770 286 HH TYR 41 HH TYR 41 -13.793 -10.334 -2.262 287 H ALA 42 H ALA 42 -17.790 -6.703 -8.403 288 HA ALA 42 HA ALA 42 -19.364 -8.935 -7.274 289 HB1 ALA 42 HB1 ALA 42 -20.959 -7.209 -7.850 290 HB2 ALA 42 HB2 ALA 42 -21.066 -8.489 -9.058 291 HB3 ALA 42 HB3 ALA 42 -20.215 -6.990 -9.434 292 H SER 43 H SER 43 -19.149 -10.853 -8.324 293 HA SER 43 HA SER 43 -17.681 -10.895 -10.898 294 HB2 SER 43 HB2 SER 43 -17.158 -12.698 -8.532 295 HB3 SER 43 HB3 SER 43 -16.386 -12.781 -10.117 296 HG SER 43 HG SER 43 -15.836 -11.183 -8.005 297 H GLN 44 H GLN 44 -17.994 -12.716 -12.178 298 HA GLN 44 HA GLN 44 -20.345 -14.378 -11.528 299 HB2 GLN 44 HB2 GLN 44 -20.865 -12.603 -13.245 300 HB3 GLN 44 HB3 GLN 44 -19.656 -13.349 -14.294 301 HG2 GLN 44 HG2 GLN 44 -21.875 -14.202 -14.884 302 HG3 GLN 44 HG3 GLN 44 -20.914 -15.497 -14.168 303 HE21 GLN 44 HE21 GLN 44 -22.186 -16.729 -12.781 304 HE22 GLN 44 HE22 GLN 44 -23.393 -16.112 -11.759 305 H GLY 45 H GLY 45 -20.003 -16.482 -11.671 306 HA2 GLY 45 HA2 GLY 45 -18.590 -17.970 -13.493 307 HA3 GLY 45 HA3 GLY 45 -17.409 -17.530 -12.253 308 H GLY 46 H GLY 46 -17.533 -20.036 -12.147 309 HA2 GLY 46 HA2 GLY 46 -19.638 -20.801 -10.202 310 HA3 GLY 46 HA3 GLY 46 -18.977 -21.911 -11.396 311 H THR 47 H THR 47 -16.330 -20.196 -10.426 312 HA THR 47 HA THR 47 -15.808 -21.934 -8.082 313 HB THR 47 HB THR 47 -13.861 -21.412 -10.349 314 HG1 THR 47 HG1 THR 47 -15.383 -23.679 -9.582 315 HG21 THR 47 HG21 THR 47 -12.693 -21.699 -8.231 316 HG22 THR 47 HG22 THR 47 -12.521 -23.178 -9.176 317 HG23 THR 47 HG23 THR 47 -13.674 -23.114 -7.844 318 H ASN 48 H ASN 48 -15.001 -20.967 -6.365 319 HA ASN 48 HA ASN 48 -14.304 -18.152 -6.489 320 HB2 ASN 48 HB2 ASN 48 -14.305 -18.239 -4.049 321 HB3 ASN 48 HB3 ASN 48 -15.766 -19.016 -4.659 322 HD21 ASN 48 HD21 ASN 48 -14.759 -19.607 -2.047 323 HD22 ASN 48 HD22 ASN 48 -14.202 -21.211 -2.030 324 H GLU 49 H GLU 49 -12.366 -17.606 -4.857 325 HA GLU 49 HA GLU 49 -10.168 -19.452 -5.007 326 HB2 GLU 49 HB2 GLU 49 -8.700 -18.017 -6.313 327 HB3 GLU 49 HB3 GLU 49 -10.087 -18.535 -7.277 328 HG2 GLU 49 HG2 GLU 49 -11.172 -16.325 -6.607 329 HG3 GLU 49 HG3 GLU 49 -9.582 -15.869 -5.971 330 H GLN 50 H GLN 50 -8.083 -18.273 -4.264 331 HA GLN 50 HA GLN 50 -8.820 -16.593 -1.948 332 HB2 GLN 50 HB2 GLN 50 -6.573 -18.590 -2.272 333 HB3 GLN 50 HB3 GLN 50 -6.799 -17.550 -0.863 334 HG2 GLN 50 HG2 GLN 50 -9.012 -18.520 -0.474 335 HG3 GLN 50 HG3 GLN 50 -8.831 -19.533 -1.910 336 HE21 GLN 50 HE21 GLN 50 -8.691 -21.612 -0.929 337 HE22 GLN 50 HE22 GLN 50 -7.501 -22.034 0.206 338 H TRP 51 H TRP 51 -7.982 -14.653 -1.788 339 HA TRP 51 HA TRP 51 -5.731 -13.885 -3.544 340 HB2 TRP 51 HB2 TRP 51 -8.082 -12.308 -2.531 341 HB3 TRP 51 HB3 TRP 51 -6.656 -11.541 -3.216 342 HD1 TRP 51 HD1 TRP 51 -9.072 -14.415 -4.291 343 HE1 TRP 51 HE1 TRP 51 -9.533 -14.104 -6.810 344 HE3 TRP 51 HE3 TRP 51 -6.147 -10.328 -5.276 345 HZ2 TRP 51 HZ2 TRP 51 -8.769 -12.390 -8.958 346 HZ3 TRP 51 HZ3 TRP 51 -6.032 -9.384 -7.567 347 HH2 TRP 51 HH2 TRP 51 -7.336 -10.406 -9.412 348 H GLN 52 H GLN 52 -4.050 -12.695 -2.677 349 HA GLN 52 HA GLN 52 -3.959 -12.550 0.278 350 HB2 GLN 52 HB2 GLN 52 -1.693 -12.462 -1.744 351 HB3 GLN 52 HB3 GLN 52 -1.499 -12.222 -0.010 352 HG2 GLN 52 HG2 GLN 52 -1.030 -14.530 -0.374 353 HG3 GLN 52 HG3 GLN 52 -2.647 -14.473 0.319 354 HE21 GLN 52 HE21 GLN 52 -3.714 -16.202 -0.683 355 HE22 GLN 52 HE22 GLN 52 -3.801 -16.425 -2.364 356 H MET 53 H MET 53 -3.435 -10.669 1.324 357 HA MET 53 HA MET 53 -3.502 -8.193 -0.299 358 HB2 MET 53 HB2 MET 53 -4.719 -8.623 2.443 359 HB3 MET 53 HB3 MET 53 -4.731 -7.126 1.522 360 HG2 MET 53 HG2 MET 53 -6.040 -8.223 -0.265 361 HG3 MET 53 HG3 MET 53 -6.028 -9.723 0.651 362 HE1 MET 53 HE1 MET 53 -7.577 -5.756 2.164 363 HE2 MET 53 HE2 MET 53 -8.136 -6.087 0.531 364 HE3 MET 53 HE3 MET 53 -6.411 -6.079 0.872 365 H SER 54 H SER 54 -2.286 -6.468 0.513 366 HA SER 54 HA SER 54 -0.568 -6.972 2.827 367 HB2 SER 54 HB2 SER 54 0.794 -7.714 0.952 368 HB3 SER 54 HB3 SER 54 0.501 -6.196 0.110 369 HG SER 54 HG SER 54 2.374 -5.838 1.145 370 H LEU 55 H LEU 55 -0.624 -5.284 4.121 371 HA LEU 55 HA LEU 55 -0.899 -2.593 2.946 372 HB2 LEU 55 HB2 LEU 55 -2.409 -1.933 4.765 373 HB3 LEU 55 HB3 LEU 55 -3.126 -3.178 3.748 374 HG LEU 55 HG LEU 55 -1.580 -4.108 6.178 375 HD11 LEU 55 HD11 LEU 55 -4.406 -3.037 6.380 376 HD12 LEU 55 HD12 LEU 55 -2.976 -2.217 7.008 377 HD13 LEU 55 HD13 LEU 55 -3.460 -3.777 7.673 378 HD21 LEU 55 HD21 LEU 55 -4.204 -4.989 4.911 379 HD22 LEU 55 HD22 LEU 55 -3.346 -5.836 6.196 380 HD23 LEU 55 HD23 LEU 55 -2.633 -5.721 4.589 381 H GLY 56 H GLY 56 0.138 -0.954 4.002 382 HA2 GLY 56 HA2 GLY 56 1.671 -1.593 6.420 383 HA3 GLY 56 HA3 GLY 56 2.550 -1.064 4.984 384 H THR 57 H THR 57 2.458 0.257 7.512 385 HA THR 57 HA THR 57 1.265 2.827 6.689 386 HB THR 57 HB THR 57 0.698 3.289 9.036 387 HG1 THR 57 HG1 THR 57 2.297 1.932 9.952 388 HG21 THR 57 HG21 THR 57 -1.263 2.007 9.124 389 HG22 THR 57 HG22 THR 57 -0.480 0.582 8.444 390 HG23 THR 57 HG23 THR 57 -0.859 1.958 7.408 391 H SER 58 H SER 58 2.328 4.679 7.521 392 HA SER 58 HA SER 58 5.174 4.509 7.530 393 HB2 SER 58 HB2 SER 58 4.059 6.511 6.705 394 HB3 SER 58 HB3 SER 58 3.325 6.781 8.285 395 HG SER 58 HG SER 58 5.470 7.846 7.586 396 H GLU 59 H GLU 59 6.626 5.001 9.270 397 HA GLU 59 HA GLU 59 6.104 3.655 11.659 398 HB2 GLU 59 HB2 GLU 59 8.164 4.687 12.523 399 HB3 GLU 59 HB3 GLU 59 8.385 4.132 10.865 400 HG2 GLU 59 HG2 GLU 59 7.970 6.445 10.046 401 HG3 GLU 59 HG3 GLU 59 7.790 6.992 11.710 402 H ASP 60 H ASP 60 5.395 6.953 10.775 403 HA ASP 60 HA ASP 60 4.473 7.540 13.517 404 HB2 ASP 60 HB2 ASP 60 4.483 9.918 12.855 405 HB3 ASP 60 HB3 ASP 60 6.074 9.175 12.692 406 H HIS 61 H HIS 61 3.167 6.139 10.982 407 HA HIS 61 HA HIS 61 1.063 5.811 10.177 408 HB2 HIS 61 HB2 HIS 61 0.264 7.375 12.654 409 HB3 HIS 61 HB3 HIS 61 -0.824 6.404 11.664 410 HD2 HIS 61 HD2 HIS 61 2.101 4.146 11.704 411 HE1 HIS 61 HE1 HIS 61 0.318 3.381 15.449 412 HE2 HIS 61 HE2 HIS 61 1.992 2.527 13.745 413 H GLN 62 H GLN 62 2.567 8.225 9.343 414 HA GLN 62 HA GLN 62 0.614 10.305 8.910 415 HB2 GLN 62 HB2 GLN 62 2.372 11.382 7.537 416 HB3 GLN 62 HB3 GLN 62 2.943 10.951 9.148 417 HG2 GLN 62 HG2 GLN 62 4.012 8.953 8.279 418 HG3 GLN 62 HG3 GLN 62 3.366 9.266 6.675 419 HE21 GLN 62 HE21 GLN 62 6.172 9.548 8.423 420 HE22 GLN 62 HE22 GLN 62 6.871 10.876 7.629 421 H HIS 63 H HIS 63 1.759 7.512 7.140 422 HA HIS 63 HA HIS 63 -0.195 8.131 5.017 423 HB2 HIS 63 HB2 HIS 63 2.561 6.951 4.582 424 HB3 HIS 63 HB3 HIS 63 1.305 7.072 3.349 425 HD2 HIS 63 HD2 HIS 63 4.202 9.172 4.598 426 HE1 HIS 63 HE1 HIS 63 1.581 11.863 2.681 427 HE2 HIS 63 HE2 HIS 63 3.921 11.576 3.621 428 H PHE 64 H PHE 64 -1.366 6.440 4.202 429 HA PHE 64 HA PHE 64 -0.936 3.758 5.389 430 HB2 PHE 64 HB2 PHE 64 -3.599 5.153 4.975 431 HB3 PHE 64 HB3 PHE 64 -3.398 3.480 5.497 432 HD1 PHE 64 HD1 PHE 64 -3.093 7.015 6.472 433 HD2 PHE 64 HD2 PHE 64 -2.525 2.948 7.716 434 HE1 PHE 64 HE1 PHE 64 -2.882 7.765 8.828 435 HE2 PHE 64 HE2 PHE 64 -2.306 3.696 10.071 436 HZ PHE 64 HZ PHE 64 -2.487 6.106 10.627 437 H THR 65 H THR 65 -1.068 2.052 3.968 438 HA THR 65 HA THR 65 -2.235 2.544 1.310 439 HB THR 65 HB THR 65 0.145 3.002 1.035 440 HG1 THR 65 HG1 THR 65 -0.756 2.050 -0.713 441 HG21 THR 65 HG21 THR 65 0.574 0.169 2.025 442 HG22 THR 65 HG22 THR 65 0.982 1.631 2.922 443 HG23 THR 65 HG23 THR 65 1.826 1.253 1.420 444 H CYS 66 H CYS 66 -3.145 0.819 0.287 445 HA CYS 66 HA CYS 66 -2.928 -1.825 1.564 446 HB2 CYS 66 HB2 CYS 66 -5.491 -0.491 0.638 447 HB3 CYS 66 HB3 CYS 66 -5.350 -2.196 1.083 448 H THR 67 H THR 67 -2.567 -3.476 0.171 449 HA THR 67 HA THR 67 -2.946 -2.999 -2.731 450 HB THR 67 HB THR 67 -0.583 -4.384 -1.439 451 HG1 THR 67 HG1 THR 67 -0.562 -2.118 -1.167 452 HG21 THR 67 HG21 THR 67 -1.047 -3.577 -4.327 453 HG22 THR 67 HG22 THR 67 -1.215 -5.221 -3.710 454 HG23 THR 67 HG23 THR 67 0.360 -4.429 -3.688 455 H ILE 68 H ILE 68 -3.921 -4.614 -3.835 456 HA ILE 68 HA ILE 68 -4.258 -7.247 -2.504 457 HB ILE 68 HB ILE 68 -6.352 -5.798 -4.169 458 HG12 ILE 68 HG12 ILE 68 -6.412 -6.435 -1.197 459 HG13 ILE 68 HG13 ILE 68 -5.891 -4.873 -1.828 460 HG21 ILE 68 HG21 ILE 68 -7.825 -7.662 -3.537 461 HG22 ILE 68 HG22 ILE 68 -6.546 -8.382 -2.559 462 HG23 ILE 68 HG23 ILE 68 -6.380 -8.314 -4.313 463 HD11 ILE 68 HD11 ILE 68 -8.292 -4.884 -1.183 464 HD12 ILE 68 HD12 ILE 68 -8.591 -6.146 -2.373 465 HD13 ILE 68 HD13 ILE 68 -8.065 -4.546 -2.897 466 H TRP 69 H TRP 69 -3.653 -8.960 -3.692 467 HA TRP 69 HA TRP 69 -4.019 -8.968 -6.563 468 HB2 TRP 69 HB2 TRP 69 -1.751 -9.480 -7.226 469 HB3 TRP 69 HB3 TRP 69 -1.704 -7.989 -6.295 470 HD1 TRP 69 HD1 TRP 69 -0.504 -11.557 -6.309 471 HE1 TRP 69 HE1 TRP 69 1.037 -11.966 -4.286 472 HE3 TRP 69 HE3 TRP 69 -1.293 -7.240 -3.753 473 HZ2 TRP 69 HZ2 TRP 69 1.827 -10.632 -1.898 474 HZ3 TRP 69 HZ3 TRP 69 -0.135 -6.823 -1.595 475 HH2 TRP 69 HH2 TRP 69 1.424 -8.531 -0.669 476 H ARG 70 H ARG 70 -3.633 -11.125 -7.511 477 HA ARG 70 HA ARG 70 -4.454 -13.192 -5.610 478 HB2 ARG 70 HB2 ARG 70 -5.109 -14.496 -7.580 479 HB3 ARG 70 HB3 ARG 70 -5.796 -12.876 -7.667 480 HG2 ARG 70 HG2 ARG 70 -3.802 -12.218 -9.093 481 HG3 ARG 70 HG3 ARG 70 -3.389 -13.943 -9.090 482 HD2 ARG 70 HD2 ARG 70 -5.396 -14.514 -10.226 483 HD3 ARG 70 HD3 ARG 70 -6.069 -12.898 -9.995 484 HE ARG 70 HE ARG 70 -4.134 -13.704 -12.000 485 HH11 ARG 70 HH11 ARG 70 -5.547 -11.003 -10.262 486 HH12 ARG 70 HH12 ARG 70 -5.059 -9.827 -11.437 487 HH21 ARG 70 HH21 ARG 70 -3.468 -12.120 -13.495 488 HH22 ARG 70 HH22 ARG 70 -3.891 -10.459 -13.250 489 HA PRO 71 HA PRO 71 -0.493 -15.254 -5.499 490 HB2 PRO 71 HB2 PRO 71 -1.159 -17.830 -5.145 491 HB3 PRO 71 HB3 PRO 71 -1.494 -16.590 -3.914 492 HG2 PRO 71 HG2 PRO 71 -3.339 -17.662 -6.019 493 HG3 PRO 71 HG3 PRO 71 -3.619 -17.528 -4.254 494 HD2 PRO 71 HD2 PRO 71 -4.572 -15.727 -5.974 495 HD3 PRO 71 HD3 PRO 71 -3.938 -15.230 -4.388 496 H GLN 72 H GLN 72 -2.848 -16.754 -7.694 497 HA GLN 72 HA GLN 72 -1.091 -18.438 -9.102 498 HB2 GLN 72 HB2 GLN 72 -3.755 -17.239 -9.821 499 HB3 GLN 72 HB3 GLN 72 -2.923 -18.411 -10.854 500 HG2 GLN 72 HG2 GLN 72 -2.878 -20.012 -8.966 501 HG3 GLN 72 HG3 GLN 72 -3.741 -18.841 -7.963 502 HE21 GLN 72 HE21 GLN 72 -5.811 -19.772 -7.756 503 HE22 GLN 72 HE22 GLN 72 -6.773 -20.245 -9.071 504 H GLY 73 H GLY 73 -2.098 -15.159 -9.700 505 HA2 GLY 73 HA2 GLY 73 -0.755 -13.515 -10.825 506 HA3 GLY 73 HA3 GLY 73 0.045 -14.821 -11.703 507 H LYS 74 H LYS 74 -2.592 -16.169 -12.196 508 HA LYS 74 HA LYS 74 -4.028 -14.286 -13.887 509 HB2 LYS 74 HB2 LYS 74 -4.105 -15.978 -15.763 510 HB3 LYS 74 HB3 LYS 74 -2.558 -15.165 -15.550 511 HG2 LYS 74 HG2 LYS 74 -1.670 -17.123 -14.352 512 HG3 LYS 74 HG3 LYS 74 -3.236 -17.930 -14.471 513 HD2 LYS 74 HD2 LYS 74 -1.918 -18.838 -16.244 514 HD3 LYS 74 HD3 LYS 74 -3.008 -17.684 -17.013 515 HE2 LYS 74 HE2 LYS 74 -1.234 -15.980 -17.019 516 HE3 LYS 74 HE3 LYS 74 -0.140 -17.101 -16.201 517 HZ1 LYS 74 HZ1 LYS 74 -1.414 -17.971 -18.691 518 HZ2 LYS 74 HZ2 LYS 74 0.114 -18.363 -18.059 519 HZ3 LYS 74 HZ3 LYS 74 -0.143 -16.854 -18.798 520 H SER 75 H SER 75 -6.089 -14.450 -13.431 521 HA SER 75 HA SER 75 -7.158 -17.045 -12.495 522 HB2 SER 75 HB2 SER 75 -7.234 -15.430 -10.700 523 HB3 SER 75 HB3 SER 75 -7.978 -14.232 -11.759 524 HG SER 75 HG SER 75 -9.046 -16.694 -10.833 525 H TYR 76 H TYR 76 -8.909 -17.903 -13.515 526 HA TYR 76 HA TYR 76 -9.961 -16.391 -15.821 527 HB2 TYR 76 HB2 TYR 76 -9.994 -19.359 -15.223 528 HB3 TYR 76 HB3 TYR 76 -10.744 -18.614 -16.638 529 HD1 TYR 76 HD1 TYR 76 -7.589 -19.543 -15.021 530 HD2 TYR 76 HD2 TYR 76 -9.360 -17.543 -18.382 531 HE1 TYR 76 HE1 TYR 76 -5.403 -19.568 -16.187 532 HE2 TYR 76 HE2 TYR 76 -7.174 -17.568 -19.549 533 HH TYR 76 HH TYR 76 -5.007 -19.165 -19.355 534 H LEU 77 H LEU 77 -11.441 -15.123 -14.716 535 HA LEU 77 HA LEU 77 -13.966 -16.471 -14.138 536 HB2 LEU 77 HB2 LEU 77 -12.569 -14.595 -12.225 537 HB3 LEU 77 HB3 LEU 77 -14.316 -14.849 -12.181 538 HG LEU 77 HG LEU 77 -12.341 -17.151 -12.060 539 HD11 LEU 77 HD11 LEU 77 -13.720 -15.799 -9.726 540 HD12 LEU 77 HD12 LEU 77 -12.034 -15.515 -10.159 541 HD13 LEU 77 HD13 LEU 77 -12.556 -17.121 -9.654 542 HD21 LEU 77 HD21 LEU 77 -15.292 -16.803 -11.440 543 HD22 LEU 77 HD22 LEU 77 -14.371 -18.228 -10.959 544 HD23 LEU 77 HD23 LEU 77 -14.573 -17.846 -12.668 545 H TYR 78 H TYR 78 -15.824 -15.165 -14.502 546 HA TYR 78 HA TYR 78 -15.309 -12.889 -16.292 547 HB2 TYR 78 HB2 TYR 78 -16.864 -14.749 -16.982 548 HB3 TYR 78 HB3 TYR 78 -17.949 -14.253 -15.681 549 HD1 TYR 78 HD1 TYR 78 -16.421 -13.248 -18.901 550 HD2 TYR 78 HD2 TYR 78 -19.250 -12.217 -15.837 551 HE1 TYR 78 HE1 TYR 78 -17.376 -11.495 -20.373 552 HE2 TYR 78 HE2 TYR 78 -20.205 -10.463 -17.309 553 HH TYR 78 HH TYR 78 -19.618 -9.138 -19.206 554 H PHE 79 H PHE 79 -14.867 -11.184 -14.982 555 HA PHE 79 HA PHE 79 -16.392 -10.683 -12.570 556 HB2 PHE 79 HB2 PHE 79 -14.179 -9.136 -13.924 557 HB3 PHE 79 HB3 PHE 79 -14.920 -8.673 -12.390 558 HD1 PHE 79 HD1 PHE 79 -12.677 -11.020 -14.077 559 HD2 PHE 79 HD2 PHE 79 -14.675 -10.107 -10.389 560 HE1 PHE 79 HE1 PHE 79 -11.183 -12.596 -12.879 561 HE2 PHE 79 HE2 PHE 79 -13.181 -11.684 -9.189 562 HZ PHE 79 HZ PHE 79 -11.435 -12.927 -10.435 563 H THR 80 H THR 80 -18.035 -9.339 -12.303 564 HA THR 80 HA THR 80 -19.277 -8.050 -14.558 565 HB THR 80 HB THR 80 -19.915 -7.826 -11.598 566 HG1 THR 80 HG1 THR 80 -20.387 -9.855 -12.009 567 HG21 THR 80 HG21 THR 80 -21.669 -7.261 -14.004 568 HG22 THR 80 HG22 THR 80 -20.854 -6.012 -13.064 569 HG23 THR 80 HG23 THR 80 -22.089 -7.019 -12.307 570 H GLN 81 H GLN 81 -17.486 -6.996 -11.682 571 HA GLN 81 HA GLN 81 -16.116 -4.892 -12.825 572 HB2 GLN 81 HB2 GLN 81 -17.307 -2.877 -11.953 573 HB3 GLN 81 HB3 GLN 81 -18.217 -3.695 -13.220 574 HG2 GLN 81 HG2 GLN 81 -19.541 -4.864 -11.443 575 HG3 GLN 81 HG3 GLN 81 -18.675 -3.920 -10.228 576 HE21 GLN 81 HE21 GLN 81 -21.549 -3.954 -11.895 577 HE22 GLN 81 HE22 GLN 81 -21.888 -2.291 -11.900 578 H PHE 82 H PHE 82 -15.122 -3.402 -11.156 579 HA PHE 82 HA PHE 82 -15.250 -4.538 -8.442 580 HB2 PHE 82 HB2 PHE 82 -12.780 -4.564 -8.275 581 HB3 PHE 82 HB3 PHE 82 -13.361 -5.663 -9.527 582 HD1 PHE 82 HD1 PHE 82 -11.624 -2.482 -8.856 583 HD2 PHE 82 HD2 PHE 82 -13.015 -5.165 -11.908 584 HE1 PHE 82 HE1 PHE 82 -10.240 -1.293 -10.534 585 HE2 PHE 82 HE2 PHE 82 -11.630 -3.974 -13.586 586 HZ PHE 82 HZ PHE 82 -10.244 -2.038 -12.899 587 H LYS 83 H LYS 83 -14.664 -3.156 -6.737 588 HA LYS 83 HA LYS 83 -14.067 -0.346 -7.381 589 HB2 LYS 83 HB2 LYS 83 -16.366 -1.109 -5.541 590 HB3 LYS 83 HB3 LYS 83 -15.918 0.514 -6.067 591 HG2 LYS 83 HG2 LYS 83 -16.832 -1.679 -7.960 592 HG3 LYS 83 HG3 LYS 83 -17.915 -0.474 -7.271 593 HD2 LYS 83 HD2 LYS 83 -16.875 1.312 -8.418 594 HD3 LYS 83 HD3 LYS 83 -15.434 0.370 -8.789 595 HE2 LYS 83 HE2 LYS 83 -16.704 -1.059 -10.293 596 HE3 LYS 83 HE3 LYS 83 -18.202 -0.230 -9.879 597 HZ1 LYS 83 HZ1 LYS 83 -15.975 0.645 -11.559 598 HZ2 LYS 83 HZ2 LYS 83 -16.750 1.837 -10.630 599 HZ3 LYS 83 HZ3 LYS 83 -17.637 0.915 -11.748 600 H ALA 84 H ALA 84 -13.171 0.837 -5.635 601 HA ALA 84 HA ALA 84 -12.609 -0.590 -3.136 602 HB1 ALA 84 HB1 ALA 84 -10.328 0.772 -4.531 603 HB2 ALA 84 HB2 ALA 84 -10.724 -0.903 -4.916 604 HB3 ALA 84 HB3 ALA 84 -10.287 -0.456 -3.266 605 H GLU 85 H GLU 85 -12.278 0.761 -1.369 606 HA GLU 85 HA GLU 85 -12.012 3.624 -1.758 607 HB2 GLU 85 HB2 GLU 85 -14.083 4.200 -0.555 608 HB3 GLU 85 HB3 GLU 85 -14.436 3.295 -2.032 609 HG2 GLU 85 HG2 GLU 85 -14.484 1.193 -0.578 610 HG3 GLU 85 HG3 GLU 85 -14.463 2.285 0.813 611 H VAL 86 H VAL 86 -11.816 4.781 0.372 612 HA VAL 86 HA VAL 86 -10.917 2.975 2.537 613 HB VAL 86 HB VAL 86 -9.016 4.479 2.997 614 HG11 VAL 86 HG11 VAL 86 -8.964 3.549 0.118 615 HG12 VAL 86 HG12 VAL 86 -8.866 2.443 1.488 616 HG13 VAL 86 HG13 VAL 86 -7.607 3.655 1.240 617 HG21 VAL 86 HG21 VAL 86 -9.919 5.823 0.423 618 HG22 VAL 86 HG22 VAL 86 -8.350 6.094 1.179 619 HG23 VAL 86 HG23 VAL 86 -9.826 6.561 2.023 620 H ARG 87 H ARG 87 -10.862 3.908 4.663 621 HA ARG 87 HA ARG 87 -12.535 6.315 4.983 622 HB2 ARG 87 HB2 ARG 87 -12.867 3.724 6.502 623 HB3 ARG 87 HB3 ARG 87 -13.716 5.227 6.865 624 HG2 ARG 87 HG2 ARG 87 -13.864 3.871 4.152 625 HG3 ARG 87 HG3 ARG 87 -15.023 3.555 5.441 626 HD2 ARG 87 HD2 ARG 87 -14.457 6.261 4.198 627 HD3 ARG 87 HD3 ARG 87 -15.874 5.273 3.893 628 HE ARG 87 HE ARG 87 -16.348 5.526 6.374 629 HH11 ARG 87 HH11 ARG 87 -14.519 8.031 4.658 630 HH12 ARG 87 HH12 ARG 87 -14.975 9.261 5.779 631 HH21 ARG 87 HH21 ARG 87 -16.891 7.194 7.784 632 HH22 ARG 87 HH22 ARG 87 -16.298 8.801 7.522 633 H GLY 88 H GLY 88 -12.191 7.545 6.805 634 HA2 GLY 88 HA2 GLY 88 -11.107 8.311 8.713 635 HA3 GLY 88 HA3 GLY 88 -10.214 6.796 8.781 636 H ALA 89 H ALA 89 -9.902 7.978 5.665 637 HA ALA 89 HA ALA 89 -7.738 9.853 6.139 638 HB1 ALA 89 HB1 ALA 89 -6.455 7.880 6.460 639 HB2 ALA 89 HB2 ALA 89 -6.127 8.401 4.807 640 HB3 ALA 89 HB3 ALA 89 -7.236 7.063 5.107 641 H GLU 90 H GLU 90 -6.701 10.497 4.016 642 HA GLU 90 HA GLU 90 -8.786 10.646 1.927 643 HB2 GLU 90 HB2 GLU 90 -7.543 12.640 1.104 644 HB3 GLU 90 HB3 GLU 90 -8.083 12.838 2.770 645 HG2 GLU 90 HG2 GLU 90 -5.820 12.178 3.568 646 HG3 GLU 90 HG3 GLU 90 -5.286 12.025 1.893 647 H ILE 91 H ILE 91 -8.275 10.229 -0.239 648 HA ILE 91 HA ILE 91 -6.104 8.309 -0.578 649 HB ILE 91 HB ILE 91 -8.284 9.163 -2.530 650 HG12 ILE 91 HG12 ILE 91 -8.105 6.601 -0.898 651 HG13 ILE 91 HG13 ILE 91 -9.006 8.016 -0.344 652 HG21 ILE 91 HG21 ILE 91 -7.671 7.004 -3.679 653 HG22 ILE 91 HG22 ILE 91 -6.302 6.848 -2.578 654 HG23 ILE 91 HG23 ILE 91 -6.370 8.195 -3.715 655 HD11 ILE 91 HD11 ILE 91 -10.354 6.223 -1.604 656 HD12 ILE 91 HD12 ILE 91 -9.506 6.760 -3.054 657 HD13 ILE 91 HD13 ILE 91 -10.536 7.884 -2.169 658 H GLU 92 H GLU 92 -4.196 8.757 -1.380 659 HA GLU 92 HA GLU 92 -3.627 11.350 -2.568 660 HB2 GLU 92 HB2 GLU 92 -1.849 8.967 -1.990 661 HB3 GLU 92 HB3 GLU 92 -1.286 10.520 -2.615 662 HG2 GLU 92 HG2 GLU 92 -2.174 11.647 -0.606 663 HG3 GLU 92 HG3 GLU 92 -2.722 10.089 0.019 664 H TYR 93 H TYR 93 -3.712 7.930 -3.511 665 HA TYR 93 HA TYR 93 -4.363 8.526 -6.213 666 HB2 TYR 93 HB2 TYR 93 -1.848 9.026 -6.072 667 HB3 TYR 93 HB3 TYR 93 -1.633 7.287 -5.887 668 HD1 TYR 93 HD1 TYR 93 -2.850 9.951 -8.158 669 HD2 TYR 93 HD2 TYR 93 -1.984 5.764 -7.738 670 HE1 TYR 93 HE1 TYR 93 -3.060 9.663 -10.611 671 HE2 TYR 93 HE2 TYR 93 -2.197 5.481 -10.196 672 HH TYR 93 HH TYR 93 -1.874 7.305 -12.291 673 H ALA 94 H ALA 94 -5.398 6.820 -7.064 674 HA ALA 94 HA ALA 94 -4.959 4.136 -5.890 675 HB1 ALA 94 HB1 ALA 94 -7.630 5.110 -6.903 676 HB2 ALA 94 HB2 ALA 94 -7.144 5.289 -5.217 677 HB3 ALA 94 HB3 ALA 94 -7.284 3.682 -5.928 678 H MET 95 H MET 95 -4.606 2.543 -7.310 679 HA MET 95 HA MET 95 -5.519 2.646 -10.041 680 HB2 MET 95 HB2 MET 95 -3.281 2.570 -11.080 681 HB3 MET 95 HB3 MET 95 -3.561 4.097 -10.242 682 HG2 MET 95 HG2 MET 95 -2.280 3.289 -8.301 683 HG3 MET 95 HG3 MET 95 -2.031 1.735 -9.103 684 HE1 MET 95 HE1 MET 95 0.406 3.916 -8.032 685 HE2 MET 95 HE2 MET 95 1.488 3.160 -9.197 686 HE3 MET 95 HE3 MET 95 0.293 2.178 -8.355 687 H ALA 96 H ALA 96 -4.627 0.754 -11.307 688 HA ALA 96 HA ALA 96 -3.954 -1.555 -9.623 689 HB1 ALA 96 HB1 ALA 96 -5.692 -2.860 -11.021 690 HB2 ALA 96 HB2 ALA 96 -6.391 -1.280 -11.373 691 HB3 ALA 96 HB3 ALA 96 -6.290 -1.849 -9.707 692 H TYR 97 H TYR 97 -3.133 -3.395 -10.896 693 HA TYR 97 HA TYR 97 -2.004 -2.497 -13.502 694 HB2 TYR 97 HB2 TYR 97 -0.793 -4.285 -11.409 695 HB3 TYR 97 HB3 TYR 97 -0.095 -4.019 -13.007 696 HD1 TYR 97 HD1 TYR 97 -0.718 -2.581 -9.695 697 HD2 TYR 97 HD2 TYR 97 0.755 -1.791 -13.650 698 HE1 TYR 97 HE1 TYR 97 0.365 -0.506 -8.880 699 HE2 TYR 97 HE2 TYR 97 1.835 0.285 -12.835 700 HH TYR 97 HH TYR 97 2.410 0.932 -9.676 701 H SER 98 H SER 98 -3.143 -3.451 -15.071 702 HA SER 98 HA SER 98 -4.358 -6.040 -14.880 703 HB2 SER 98 HB2 SER 98 -3.708 -4.318 -17.281 704 HB3 SER 98 HB3 SER 98 -4.661 -5.804 -17.333 705 HG SER 98 HG SER 98 -6.087 -4.129 -17.097 706 H LYS 99 H LYS 99 -1.374 -4.784 -16.274 707 HA LYS 99 HA LYS 99 -0.324 -7.534 -16.470 708 HB2 LYS 99 HB2 LYS 99 -0.972 -6.798 -18.739 709 HB3 LYS 99 HB3 LYS 99 0.002 -5.345 -18.554 710 HG2 LYS 99 HG2 LYS 99 1.294 -6.950 -19.850 711 HG3 LYS 99 HG3 LYS 99 2.034 -6.823 -18.253 712 HD2 LYS 99 HD2 LYS 99 0.895 -8.885 -17.540 713 HD3 LYS 99 HD3 LYS 99 0.092 -8.997 -19.108 714 HE2 LYS 99 HE2 LYS 99 2.279 -9.191 -20.226 715 HE3 LYS 99 HE3 LYS 99 3.091 -9.072 -18.667 716 HZ1 LYS 99 HZ1 LYS 99 2.552 -11.383 -19.714 717 HZ2 LYS 99 HZ2 LYS 99 1.020 -11.116 -19.029 718 HZ3 LYS 99 HZ3 LYS 99 2.404 -11.142 -18.043 719 H ALA 100 H ALA 100 1.617 -7.795 -15.582 720 HA ALA 100 HA ALA 100 2.949 -5.537 -14.338 721 HB1 ALA 100 HB1 ALA 100 2.627 -7.968 -13.399 722 HB2 ALA 100 HB2 ALA 100 4.126 -7.092 -13.085 723 HB3 ALA 100 HB3 ALA 100 4.068 -8.315 -14.355 724 H ALA 101 H ALA 101 5.024 -4.837 -14.777 725 HA ALA 101 HA ALA 101 5.842 -4.681 -17.442 726 HB1 ALA 101 HB1 ALA 101 6.784 -3.015 -16.152 727 HB2 ALA 101 HB2 ALA 101 8.151 -4.124 -16.259 728 HB3 ALA 101 HB3 ALA 101 7.141 -4.105 -14.814 729 H PHE 102 H PHE 102 7.186 -5.839 -18.725 730 HA PHE 102 HA PHE 102 8.123 -8.428 -17.653 731 HB2 PHE 102 HB2 PHE 102 6.441 -8.473 -19.504 732 HB3 PHE 102 HB3 PHE 102 7.617 -7.662 -20.540 733 HD1 PHE 102 HD1 PHE 102 6.925 -10.759 -18.609 734 HD2 PHE 102 HD2 PHE 102 9.475 -8.856 -21.495 735 HE1 PHE 102 HE1 PHE 102 7.967 -12.948 -19.131 736 HE2 PHE 102 HE2 PHE 102 10.517 -11.046 -22.017 737 HZ PHE 102 HZ PHE 102 9.762 -13.092 -20.834 738 H GLU 103 H GLU 103 10.177 -8.422 -17.148 739 HA GLU 103 HA GLU 103 12.403 -7.994 -17.096 740 HB2 GLU 103 HB2 GLU 103 12.047 -9.604 -19.036 741 HB3 GLU 103 HB3 GLU 103 12.279 -8.230 -20.114 742 HG2 GLU 103 HG2 GLU 103 14.488 -7.807 -19.096 743 HG3 GLU 103 HG3 GLU 103 14.248 -9.175 -18.011 744 H ARG 104 H ARG 104 12.056 -6.363 -20.267 745 HA ARG 104 HA ARG 104 13.085 -3.882 -19.025 746 HB2 ARG 104 HB2 ARG 104 13.551 -5.075 -21.753 747 HB3 ARG 104 HB3 ARG 104 14.032 -3.430 -21.319 748 HG2 ARG 104 HG2 ARG 104 15.446 -4.273 -19.510 749 HG3 ARG 104 HG3 ARG 104 14.925 -5.926 -19.844 750 HD2 ARG 104 HD2 ARG 104 15.920 -5.802 -22.086 751 HD3 ARG 104 HD3 ARG 104 16.415 -4.140 -21.784 752 HE ARG 104 HE ARG 104 17.475 -5.729 -19.723 753 HH11 ARG 104 HH11 ARG 104 17.865 -5.375 -23.197 754 HH12 ARG 104 HH12 ARG 104 19.515 -5.904 -23.187 755 HH21 ARG 104 HH21 ARG 104 19.628 -6.412 -19.755 756 HH22 ARG 104 HH22 ARG 104 20.505 -6.488 -21.246 757 H GLU 105 H GLU 105 10.208 -4.771 -19.542 758 HA GLU 105 HA GLU 105 9.403 -2.484 -21.261 759 HB2 GLU 105 HB2 GLU 105 7.995 -5.129 -20.947 760 HB3 GLU 105 HB3 GLU 105 7.471 -3.792 -21.967 761 HG2 GLU 105 HG2 GLU 105 9.614 -3.938 -23.239 762 HG3 GLU 105 HG3 GLU 105 10.078 -5.338 -22.277 763 H SER 106 H SER 106 7.731 -1.248 -20.682 764 HA SER 106 HA SER 106 7.179 -1.028 -17.891 765 HB2 SER 106 HB2 SER 106 7.357 0.983 -19.200 766 HB3 SER 106 HB3 SER 106 6.087 0.431 -20.290 767 HG SER 106 HG SER 106 4.621 0.620 -18.608 768 H ASP 107 H ASP 107 5.374 -1.229 -16.774 769 HA ASP 107 HA ASP 107 3.621 -3.362 -17.536 770 HB2 ASP 107 HB2 ASP 107 2.729 -3.092 -15.310 771 HB3 ASP 107 HB3 ASP 107 4.480 -3.038 -15.245 772 H VAL 108 H VAL 108 1.235 -3.176 -17.380 773 HA VAL 108 HA VAL 108 0.304 -0.600 -18.521 774 HB VAL 108 HB VAL 108 -0.882 -3.379 -18.869 775 HG11 VAL 108 HG11 VAL 108 -2.367 -2.329 -20.512 776 HG12 VAL 108 HG12 VAL 108 -1.621 -0.758 -20.219 777 HG13 VAL 108 HG13 VAL 108 -2.566 -1.536 -18.949 778 HG21 VAL 108 HG21 VAL 108 1.195 -3.187 -20.115 779 HG22 VAL 108 HG22 VAL 108 0.745 -1.591 -20.711 780 HG23 VAL 108 HG23 VAL 108 -0.134 -3.016 -21.263 781 HA PRO 109 HA PRO 109 -2.110 -0.679 -14.568 782 HB2 PRO 109 HB2 PRO 109 -2.439 1.936 -14.218 783 HB3 PRO 109 HB3 PRO 109 -0.845 1.183 -13.978 784 HG2 PRO 109 HG2 PRO 109 -1.866 2.723 -16.323 785 HG3 PRO 109 HG3 PRO 109 -0.290 2.820 -15.509 786 HD2 PRO 109 HD2 PRO 109 -0.728 1.388 -17.831 787 HD3 PRO 109 HD3 PRO 109 0.572 1.029 -16.671 788 H LEU 110 H LEU 110 -4.337 -0.377 -14.086 789 HA LEU 110 HA LEU 110 -6.157 -0.148 -16.316 790 HB2 LEU 110 HB2 LEU 110 -6.577 -0.504 -13.346 791 HB3 LEU 110 HB3 LEU 110 -7.923 -0.284 -14.469 792 HG LEU 110 HG LEU 110 -5.812 -2.428 -14.862 793 HD11 LEU 110 HD11 LEU 110 -6.791 -3.043 -12.791 794 HD12 LEU 110 HD12 LEU 110 -7.719 -3.952 -13.979 795 HD13 LEU 110 HD13 LEU 110 -8.390 -2.483 -13.272 796 HD21 LEU 110 HD21 LEU 110 -7.036 -2.011 -16.882 797 HD22 LEU 110 HD22 LEU 110 -8.560 -1.832 -16.013 798 HD23 LEU 110 HD23 LEU 110 -7.815 -3.420 -16.167 799 H LYS 111 H LYS 111 -7.764 1.422 -16.621 800 HA LYS 111 HA LYS 111 -6.942 4.092 -16.205 801 HB2 LYS 111 HB2 LYS 111 -8.282 3.288 -18.150 802 HB3 LYS 111 HB3 LYS 111 -9.657 3.062 -17.067 803 HG2 LYS 111 HG2 LYS 111 -9.835 5.391 -16.630 804 HG3 LYS 111 HG3 LYS 111 -8.241 5.727 -17.312 805 HD2 LYS 111 HD2 LYS 111 -9.860 6.431 -18.953 806 HD3 LYS 111 HD3 LYS 111 -9.151 4.934 -19.551 807 HE2 LYS 111 HE2 LYS 111 -11.088 3.659 -18.741 808 HE3 LYS 111 HE3 LYS 111 -11.793 5.124 -18.060 809 HZ1 LYS 111 HZ1 LYS 111 -11.470 4.354 -20.881 810 HZ2 LYS 111 HZ2 LYS 111 -11.525 6.001 -20.465 811 HZ3 LYS 111 HZ3 LYS 111 -12.832 4.982 -20.091 812 H THR 112 H THR 112 -7.387 5.500 -14.653 813 HA THR 112 HA THR 112 -8.493 4.755 -12.164 814 HB THR 112 HB THR 112 -8.053 7.546 -13.294 815 HG1 THR 112 HG1 THR 112 -6.068 6.874 -13.155 816 HG21 THR 112 HG21 THR 112 -8.035 8.295 -10.990 817 HG22 THR 112 HG22 THR 112 -8.187 6.640 -10.401 818 HG23 THR 112 HG23 THR 112 -9.532 7.399 -11.251 819 H GLU 113 H GLU 113 -9.844 6.364 -14.978 820 HA GLU 113 HA GLU 113 -12.291 7.222 -13.844 821 HB2 GLU 113 HB2 GLU 113 -11.499 6.676 -16.699 822 HB3 GLU 113 HB3 GLU 113 -13.047 7.387 -16.231 823 HG2 GLU 113 HG2 GLU 113 -11.869 9.210 -15.080 824 HG3 GLU 113 HG3 GLU 113 -10.319 8.506 -15.523 825 H GLU 114 H GLU 114 -11.314 4.068 -14.221 826 HA GLU 114 HA GLU 114 -13.582 2.759 -15.281 827 HB2 GLU 114 HB2 GLU 114 -11.274 1.770 -14.807 828 HB3 GLU 114 HB3 GLU 114 -11.790 1.633 -13.125 829 HG2 GLU 114 HG2 GLU 114 -13.490 0.505 -15.359 830 HG3 GLU 114 HG3 GLU 114 -12.145 -0.413 -14.687 831 H PHE 115 H PHE 115 -12.931 4.133 -12.128 832 HA PHE 115 HA PHE 115 -15.685 3.728 -11.311 833 HB2 PHE 115 HB2 PHE 115 -15.152 2.651 -9.181 834 HB3 PHE 115 HB3 PHE 115 -14.596 1.654 -10.527 835 HD1 PHE 115 HD1 PHE 115 -13.572 3.714 -7.680 836 HD2 PHE 115 HD2 PHE 115 -12.173 1.507 -11.082 837 HE1 PHE 115 HE1 PHE 115 -11.263 3.767 -6.770 838 HE2 PHE 115 HE2 PHE 115 -9.872 1.554 -10.173 839 HZ PHE 115 HZ PHE 115 -9.414 2.686 -8.016 840 H GLU 116 H GLU 116 -16.177 4.898 -9.246 841 HA GLU 116 HA GLU 116 -14.495 7.324 -9.016 842 HB2 GLU 116 HB2 GLU 116 -16.682 7.750 -10.041 843 HB3 GLU 116 HB3 GLU 116 -17.492 7.020 -8.654 844 HG2 GLU 116 HG2 GLU 116 -17.527 9.463 -8.430 845 HG3 GLU 116 HG3 GLU 116 -16.508 8.765 -7.177 846 H VAL 117 H VAL 117 -13.690 7.874 -7.077 847 HA VAL 117 HA VAL 117 -14.850 6.671 -4.640 848 HB VAL 117 HB VAL 117 -12.579 6.412 -3.691 849 HG11 VAL 117 HG11 VAL 117 -13.658 4.495 -4.727 850 HG12 VAL 117 HG12 VAL 117 -11.932 4.463 -5.090 851 HG13 VAL 117 HG13 VAL 117 -13.083 5.000 -6.314 852 HG21 VAL 117 HG21 VAL 117 -11.623 7.021 -6.517 853 HG22 VAL 117 HG22 VAL 117 -10.611 6.585 -5.140 854 HG23 VAL 117 HG23 VAL 117 -11.465 8.126 -5.150 855 H THR 118 H THR 118 -14.787 7.901 -2.775 856 HA THR 118 HA THR 118 -13.666 10.611 -2.928 857 HB THR 118 HB THR 118 -15.690 11.581 -1.931 858 HG1 THR 118 HG1 THR 118 -16.998 9.181 -2.596 859 HG21 THR 118 HG21 THR 118 -17.005 11.643 -3.948 860 HG22 THR 118 HG22 THR 118 -16.317 10.115 -4.500 861 HG23 THR 118 HG23 THR 118 -15.304 11.557 -4.405 862 H LYS 119 H LYS 119 -13.643 11.691 -0.825 863 HA LYS 119 HA LYS 119 -12.280 10.152 1.072 864 HB2 LYS 119 HB2 LYS 119 -12.395 12.137 2.507 865 HB3 LYS 119 HB3 LYS 119 -11.979 12.571 0.848 866 HG2 LYS 119 HG2 LYS 119 -14.337 13.183 0.414 867 HG3 LYS 119 HG3 LYS 119 -14.760 12.755 2.069 868 HD2 LYS 119 HD2 LYS 119 -13.206 14.480 2.917 869 HD3 LYS 119 HD3 LYS 119 -12.784 14.915 1.260 870 HE2 LYS 119 HE2 LYS 119 -15.130 15.527 0.815 871 HE3 LYS 119 HE3 LYS 119 -15.561 15.088 2.468 872 HZ1 LYS 119 HZ1 LYS 119 -14.966 17.544 1.820 873 HZ2 LYS 119 HZ2 LYS 119 -13.377 16.996 2.071 874 HZ3 LYS 119 HZ3 LYS 119 -14.520 16.903 3.325 875 H THR 120 H THR 120 -15.698 10.606 0.652 876 HA THR 120 HA THR 120 -16.188 8.947 3.015 877 HB THR 120 HB THR 120 -16.286 11.223 3.890 878 HG1 THR 120 HG1 THR 120 -17.762 10.263 5.022 879 HG21 THR 120 HG21 THR 120 -17.992 12.806 3.095 880 HG22 THR 120 HG22 THR 120 -18.491 11.658 1.853 881 HG23 THR 120 HG23 THR 120 -16.884 12.381 1.790 882 H ALA 121 H ALA 121 -16.532 8.733 0.017 883 HA ALA 121 HA ALA 121 -19.095 7.413 0.083 884 HB1 ALA 121 HB1 ALA 121 -20.373 8.777 -1.221 885 HB2 ALA 121 HB2 ALA 121 -18.995 9.377 -2.143 886 HB3 ALA 121 HB3 ALA 121 -19.331 10.022 -0.537 887 H VAL 122 H VAL 122 -19.572 6.290 -1.987 888 HA VAL 122 HA VAL 122 -17.217 5.882 -3.695 889 HB VAL 122 HB VAL 122 -17.144 4.139 -1.948 890 HG11 VAL 122 HG11 VAL 122 -19.919 3.495 -2.963 891 HG12 VAL 122 HG12 VAL 122 -19.446 3.932 -1.322 892 HG13 VAL 122 HG13 VAL 122 -18.963 2.374 -1.995 893 HG21 VAL 122 HG21 VAL 122 -17.274 2.125 -3.542 894 HG22 VAL 122 HG22 VAL 122 -16.234 3.453 -4.055 895 HG23 VAL 122 HG23 VAL 122 -17.837 3.263 -4.767 896 H ALA 123 H ALA 123 -17.661 5.444 -5.816 897 HA ALA 123 HA ALA 123 -20.400 4.869 -6.653 898 HB1 ALA 123 HB1 ALA 123 -18.941 7.422 -7.172 899 HB2 ALA 123 HB2 ALA 123 -20.656 7.148 -6.870 900 HB3 ALA 123 HB3 ALA 123 -19.967 6.765 -8.447 901 H HIS 124 H HIS 124 -20.528 4.284 -8.925 902 HA HIS 124 HA HIS 124 -18.002 3.157 -9.944 903 HB2 HIS 124 HB2 HIS 124 -19.373 1.414 -11.037 904 HB3 HIS 124 HB3 HIS 124 -19.605 1.414 -9.288 905 HD2 HIS 124 HD2 HIS 124 -21.720 1.756 -12.497 906 HE1 HIS 124 HE1 HIS 124 -24.231 2.872 -9.294 907 HE2 HIS 124 HE2 HIS 124 -24.165 2.304 -11.768 908 H ARG 125 H ARG 125 -17.787 3.015 -12.274 909 HA ARG 125 HA ARG 125 -19.058 5.316 -13.626 910 HB2 ARG 125 HB2 ARG 125 -16.358 4.030 -14.028 911 HB3 ARG 125 HB3 ARG 125 -16.992 5.299 -15.060 912 HG2 ARG 125 HG2 ARG 125 -16.789 5.654 -12.059 913 HG3 ARG 125 HG3 ARG 125 -15.461 6.082 -13.139 914 HD2 ARG 125 HD2 ARG 125 -17.080 7.528 -14.428 915 HD3 ARG 125 HD3 ARG 125 -18.271 7.218 -13.165 916 HE ARG 125 HE ARG 125 -15.916 8.170 -11.939 917 HH11 ARG 125 HH11 ARG 125 -18.444 9.352 -14.076 918 HH12 ARG 125 HH12 ARG 125 -18.289 10.997 -13.554 919 HH21 ARG 125 HH21 ARG 125 -15.741 10.334 -11.288 920 HH22 ARG 125 HH22 ARG 125 -16.760 11.548 -11.987 921 HA PRO 126 HA PRO 126 -20.794 2.439 -16.624 922 HB2 PRO 126 HB2 PRO 126 -21.062 4.006 -18.813 923 HB3 PRO 126 HB3 PRO 126 -22.096 4.197 -17.380 924 HG2 PRO 126 HG2 PRO 126 -19.686 5.766 -18.184 925 HG3 PRO 126 HG3 PRO 126 -21.251 6.338 -17.568 926 HD2 PRO 126 HD2 PRO 126 -19.082 6.133 -15.959 927 HD3 PRO 126 HD3 PRO 126 -20.733 5.832 -15.360 928 H GLY 127 H GLY 127 -20.174 1.149 -18.403 929 HA2 GLY 127 HA2 GLY 127 -18.797 0.312 -20.082 930 HA3 GLY 127 HA3 GLY 127 -17.818 1.771 -19.957 931 H ALA 128 H ALA 128 -18.359 0.252 -16.925 932 HA ALA 128 HA ALA 128 -15.726 -0.144 -16.255 933 HB1 ALA 128 HB1 ALA 128 -18.269 -1.399 -15.285 934 HB2 ALA 128 HB2 ALA 128 -17.206 -0.256 -14.464 935 HB3 ALA 128 HB3 ALA 128 -16.716 -1.940 -14.648 936 H PHE 129 H PHE 129 -14.315 -1.849 -16.224 937 HA PHE 129 HA PHE 129 -14.341 -3.568 -18.494 938 HB2 PHE 129 HB2 PHE 129 -12.545 -3.379 -16.080 939 HB3 PHE 129 HB3 PHE 129 -12.269 -4.533 -17.390 940 HD1 PHE 129 HD1 PHE 129 -12.426 -0.939 -16.525 941 HD2 PHE 129 HD2 PHE 129 -11.505 -3.815 -19.575 942 HE1 PHE 129 HE1 PHE 129 -11.346 0.840 -17.873 943 HE2 PHE 129 HE2 PHE 129 -10.426 -2.038 -20.925 944 HZ PHE 129 HZ PHE 129 -10.346 0.290 -20.074 945 H LYS 130 H LYS 130 -14.545 -5.758 -18.672 946 HA LYS 130 HA LYS 130 -15.505 -7.243 -16.320 947 HB2 LYS 130 HB2 LYS 130 -16.813 -7.228 -19.047 948 HB3 LYS 130 HB3 LYS 130 -17.205 -8.353 -17.736 949 HG2 LYS 130 HG2 LYS 130 -17.799 -6.494 -16.282 950 HG3 LYS 130 HG3 LYS 130 -17.385 -5.342 -17.555 951 HD2 LYS 130 HD2 LYS 130 -19.136 -6.321 -19.000 952 HD3 LYS 130 HD3 LYS 130 -19.552 -7.464 -17.721 953 HE2 LYS 130 HE2 LYS 130 -20.140 -5.593 -16.229 954 HE3 LYS 130 HE3 LYS 130 -19.722 -4.444 -17.500 955 HZ1 LYS 130 HZ1 LYS 130 -21.962 -4.661 -17.813 956 HZ2 LYS 130 HZ2 LYS 130 -21.995 -6.291 -17.333 957 HZ3 LYS 130 HZ3 LYS 130 -21.397 -5.864 -18.866 958 H ALA 131 H ALA 131 -15.208 -9.501 -16.398 959 HA ALA 131 HA ALA 131 -13.926 -11.368 -16.745 960 HB1 ALA 131 HB1 ALA 131 -13.609 -10.673 -19.635 961 HB2 ALA 131 HB2 ALA 131 -15.220 -11.033 -19.017 962 HB3 ALA 131 HB3 ALA 131 -13.937 -12.235 -18.885 963 H GLU 132 H GLU 132 -12.638 -8.543 -16.462 964 HA GLU 132 HA GLU 132 -9.972 -9.171 -17.546 965 HB2 GLU 132 HB2 GLU 132 -10.976 -6.929 -18.051 966 HB3 GLU 132 HB3 GLU 132 -10.938 -6.569 -16.324 967 HG2 GLU 132 HG2 GLU 132 -8.500 -6.852 -16.286 968 HG3 GLU 132 HG3 GLU 132 -8.503 -7.321 -17.980 969 H LEU 133 H LEU 133 -8.352 -9.757 -16.257 970 HA LEU 133 HA LEU 133 -8.838 -9.818 -13.343 971 HB2 LEU 133 HB2 LEU 133 -7.044 -11.611 -13.339 972 HB3 LEU 133 HB3 LEU 133 -8.545 -12.057 -14.144 973 HG LEU 133 HG LEU 133 -6.347 -10.834 -15.825 974 HD11 LEU 133 HD11 LEU 133 -5.425 -12.745 -14.285 975 HD12 LEU 133 HD12 LEU 133 -5.055 -12.771 -16.006 976 HD13 LEU 133 HD13 LEU 133 -6.321 -13.813 -15.362 977 HD21 LEU 133 HD21 LEU 133 -8.807 -11.658 -16.539 978 HD22 LEU 133 HD22 LEU 133 -8.027 -13.228 -16.604 979 HD23 LEU 133 HD23 LEU 133 -7.429 -11.909 -17.605 980 H SER 134 H SER 134 -7.651 -8.597 -12.033 981 HA SER 134 HA SER 134 -4.933 -7.827 -12.678 982 HB2 SER 134 HB2 SER 134 -6.233 -6.207 -13.983 983 HB3 SER 134 HB3 SER 134 -7.124 -5.758 -12.538 984 HG SER 134 HG SER 134 -5.073 -4.554 -13.282 985 H LYS 135 H LYS 135 -4.123 -6.186 -11.016 986 HA LYS 135 HA LYS 135 -5.211 -6.842 -8.339 987 HB2 LYS 135 HB2 LYS 135 -2.851 -6.373 -7.514 988 HB3 LYS 135 HB3 LYS 135 -3.030 -7.848 -8.456 989 HG2 LYS 135 HG2 LYS 135 -2.299 -5.319 -9.933 990 HG3 LYS 135 HG3 LYS 135 -1.058 -6.067 -8.937 991 HD2 LYS 135 HD2 LYS 135 -2.643 -7.675 -10.959 992 HD3 LYS 135 HD3 LYS 135 -1.168 -6.813 -11.403 993 HE2 LYS 135 HE2 LYS 135 0.064 -8.042 -9.639 994 HE3 LYS 135 HE3 LYS 135 -1.411 -8.931 -9.245 995 HZ1 LYS 135 HZ1 LYS 135 -0.223 -10.296 -10.709 996 HZ2 LYS 135 HZ2 LYS 135 0.162 -9.009 -11.750 997 HZ3 LYS 135 HZ3 LYS 135 -1.432 -9.593 -11.666 998 H LEU 136 H LEU 136 -5.286 -5.170 -6.791 999 HA LEU 136 HA LEU 136 -5.173 -2.447 -7.956 1000 HB2 LEU 136 HB2 LEU 136 -6.820 -3.363 -5.594 1001 HB3 LEU 136 HB3 LEU 136 -6.857 -1.778 -6.359 1002 HG LEU 136 HG LEU 136 -7.401 -3.301 -8.558 1003 HD11 LEU 136 HD11 LEU 136 -7.290 -5.380 -7.023 1004 HD12 LEU 136 HD12 LEU 136 -8.689 -5.239 -8.085 1005 HD13 LEU 136 HD13 LEU 136 -8.838 -4.832 -6.377 1006 HD21 LEU 136 HD21 LEU 136 -9.894 -2.965 -7.931 1007 HD22 LEU 136 HD22 LEU 136 -8.879 -1.524 -7.958 1008 HD23 LEU 136 HD23 LEU 136 -9.293 -2.279 -6.421 1009 H VAL 137 H VAL 137 -4.418 -0.718 -6.745 1010 HA VAL 137 HA VAL 137 -3.115 -1.215 -4.182 1011 HB VAL 137 HB VAL 137 -1.350 -1.626 -5.876 1012 HG11 VAL 137 HG11 VAL 137 -1.813 1.250 -6.714 1013 HG12 VAL 137 HG12 VAL 137 -2.254 -0.171 -7.662 1014 HG13 VAL 137 HG13 VAL 137 -0.560 0.173 -7.321 1015 HG21 VAL 137 HG21 VAL 137 0.274 0.138 -5.035 1016 HG22 VAL 137 HG22 VAL 137 -0.600 -0.723 -3.768 1017 HG23 VAL 137 HG23 VAL 137 -1.092 0.907 -4.227 1018 H ILE 138 H ILE 138 -3.672 0.332 -2.825 1019 HA ILE 138 HA ILE 138 -4.415 2.999 -3.874 1020 HB ILE 138 HB ILE 138 -5.738 1.529 -1.558 1021 HG12 ILE 138 HG12 ILE 138 -7.755 1.732 -3.281 1022 HG13 ILE 138 HG13 ILE 138 -6.467 1.837 -4.488 1023 HG21 ILE 138 HG21 ILE 138 -6.426 4.151 -2.933 1024 HG22 ILE 138 HG22 ILE 138 -5.743 3.989 -1.315 1025 HG23 ILE 138 HG23 ILE 138 -7.368 3.390 -1.651 1026 HD11 ILE 138 HD11 ILE 138 -7.463 -0.478 -3.920 1027 HD12 ILE 138 HD12 ILE 138 -6.526 -0.375 -2.431 1028 HD13 ILE 138 HD13 ILE 138 -5.713 -0.360 -3.995 1029 H VAL 139 H VAL 139 -3.357 4.664 -3.022 1030 HA VAL 139 HA VAL 139 -1.992 4.320 -0.400 1031 HB VAL 139 HB VAL 139 -1.103 6.028 -2.766 1032 HG11 VAL 139 HG11 VAL 139 0.323 5.490 -0.140 1033 HG12 VAL 139 HG12 VAL 139 -0.580 6.965 -0.484 1034 HG13 VAL 139 HG13 VAL 139 0.853 6.568 -1.431 1035 HG21 VAL 139 HG21 VAL 139 0.685 4.451 -3.061 1036 HG22 VAL 139 HG22 VAL 139 -0.790 3.491 -2.931 1037 HG23 VAL 139 HG23 VAL 139 0.297 3.629 -1.549 1038 H ALA 140 H ALA 140 -2.812 5.535 1.129 1039 HA ALA 140 HA ALA 140 -4.185 8.058 0.427 1040 HB1 ALA 140 HB1 ALA 140 -5.603 7.461 2.528 1041 HB2 ALA 140 HB2 ALA 140 -5.047 5.816 2.223 1042 HB3 ALA 140 HB3 ALA 140 -5.973 6.676 0.993 1043 H LYS 141 H LYS 141 -3.988 9.758 1.851 1044 HA LYS 141 HA LYS 141 -1.706 9.607 3.677 1045 HB2 LYS 141 HB2 LYS 141 -1.913 11.405 1.890 1046 HB3 LYS 141 HB3 LYS 141 -3.256 12.049 2.841 1047 HG2 LYS 141 HG2 LYS 141 -1.791 12.281 4.789 1048 HG3 LYS 141 HG3 LYS 141 -0.448 11.614 3.865 1049 HD2 LYS 141 HD2 LYS 141 -0.725 13.485 2.207 1050 HD3 LYS 141 HD3 LYS 141 -1.913 14.205 3.296 1051 HE2 LYS 141 HE2 LYS 141 0.951 13.567 4.040 1052 HE3 LYS 141 HE3 LYS 141 0.359 15.170 3.609 1053 HZ1 LYS 141 HZ1 LYS 141 0.259 15.133 5.919 1054 HZ2 LYS 141 HZ2 LYS 141 -0.308 13.532 5.975 1055 HZ3 LYS 141 HZ3 LYS 141 -1.336 14.785 5.461 1056 H ALA 142 H ALA 142 -1.878 10.003 5.854 1057 HA ALA 142 HA ALA 142 -4.265 9.438 7.184 1058 HB1 ALA 142 HB1 ALA 142 -1.823 9.420 8.059 1059 HB2 ALA 142 HB2 ALA 142 -3.112 9.865 9.179 1060 HB3 ALA 142 HB3 ALA 142 -2.114 11.117 8.440 1061 H SER 143 H SER 143 -5.999 10.596 7.706 1062 HA SER 143 HA SER 143 -5.926 13.445 8.118 1063 HB2 SER 143 HB2 SER 143 -7.399 14.077 6.302 1064 HB3 SER 143 HB3 SER 143 -5.970 13.293 5.638 1065 HG SER 143 HG SER 143 -7.625 12.274 4.661 1066 H ARG 144 H ARG 144 -8.194 14.298 8.504 1067 HA ARG 144 HA ARG 144 -10.119 14.236 9.735 1068 HB2 ARG 144 HB2 ARG 144 -10.846 12.898 7.732 1069 HB3 ARG 144 HB3 ARG 144 -10.431 11.431 8.623 1070 HG2 ARG 144 HG2 ARG 144 -12.038 12.032 10.388 1071 HG3 ARG 144 HG3 ARG 144 -12.442 13.518 9.524 1072 HD2 ARG 144 HD2 ARG 144 -13.199 12.178 7.588 1073 HD3 ARG 144 HD3 ARG 144 -12.824 10.701 8.469 1074 HE ARG 144 HE ARG 144 -15.116 12.447 8.892 1075 HH11 ARG 144 HH11 ARG 144 -13.117 9.909 10.269 1076 HH12 ARG 144 HH12 ARG 144 -14.334 9.380 11.380 1077 HH21 ARG 144 HH21 ARG 144 -16.681 11.727 10.362 1078 HH22 ARG 144 HH22 ARG 144 -16.342 10.406 11.430 1079 H THR 145 H THR 145 -8.662 14.255 11.623 1080 HA THR 145 HA THR 145 -8.805 11.753 13.195 1081 HB THR 145 HB THR 145 -6.898 12.639 14.508 1082 HG1 THR 145 HG1 THR 145 -6.326 14.622 14.230 1083 HG21 THR 145 HG21 THR 145 -6.591 12.344 11.519 1084 HG22 THR 145 HG22 THR 145 -6.319 11.124 12.763 1085 HG23 THR 145 HG23 THR 145 -5.208 12.484 12.603 1086 H GLU 146 H GLU 146 -10.686 14.225 12.876 1087 HA GLU 146 HA GLU 146 -11.352 14.383 15.717 1088 HB2 GLU 146 HB2 GLU 146 -9.885 16.307 15.278 1089 HB3 GLU 146 HB3 GLU 146 -10.940 16.796 13.952 1090 HG2 GLU 146 HG2 GLU 146 -11.463 18.118 15.972 1091 HG3 GLU 146 HG3 GLU 146 -12.819 17.067 15.580 1092 H LEU 147 H LEU 147 -13.517 14.641 16.099 1093 HA LEU 147 HA LEU 147 -15.440 13.696 14.409 1094 HB2 LEU 147 HB2 LEU 147 -17.113 14.849 15.822 1095 HB3 LEU 147 HB3 LEU 147 -15.860 14.055 16.770 1096 HG LEU 147 HG LEU 147 -14.666 16.460 16.611 1097 HD11 LEU 147 HD11 LEU 147 -17.576 17.008 16.017 1098 HD12 LEU 147 HD12 LEU 147 -16.144 17.687 15.245 1099 HD13 LEU 147 HD13 LEU 147 -16.595 18.206 16.862 1100 HD21 LEU 147 HD21 LEU 147 -17.046 16.148 18.471 1101 HD22 LEU 147 HD22 LEU 147 -15.518 16.965 18.796 1102 HD23 LEU 147 HD23 LEU 147 -15.567 15.207 18.671 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 18.958 14.612 13.696 2 H2 GLY 1 HT2 GLY 1 20.650 14.457 13.633 3 H3 GLY 1 HT3 GLY 1 19.739 13.466 14.672 4 HA2 GLY 1 HA2 GLY 1 18.574 12.790 12.425 5 HA3 GLY 1 HA3 GLY 1 20.147 13.268 11.782 6 H SER 2 H SER 2 18.767 11.399 14.489 7 HA SER 2 HA SER 2 20.827 9.325 14.045 8 HB2 SER 2 HB2 SER 2 19.826 10.354 16.707 9 HB3 SER 2 HB3 SER 2 20.870 8.953 16.495 10 HG SER 2 HG SER 2 22.340 10.414 15.409 11 H LYS 3 H LYS 3 20.232 7.182 14.754 12 HA LYS 3 HA LYS 3 18.851 5.361 14.892 13 HB2 LYS 3 HB2 LYS 3 16.796 7.351 15.901 14 HB3 LYS 3 HB3 LYS 3 16.652 5.596 15.984 15 HG2 LYS 3 HG2 LYS 3 18.720 5.496 17.354 16 HG3 LYS 3 HG3 LYS 3 18.823 7.257 17.310 17 HD2 LYS 3 HD2 LYS 3 16.409 5.772 18.394 18 HD3 LYS 3 HD3 LYS 3 17.751 6.288 19.410 19 HE2 LYS 3 HE2 LYS 3 16.065 8.143 17.690 20 HE3 LYS 3 HE3 LYS 3 15.888 7.939 19.430 21 HZ1 LYS 3 HZ1 LYS 3 18.069 9.199 17.920 22 HZ2 LYS 3 HZ2 LYS 3 18.415 8.479 19.420 23 HZ3 LYS 3 HZ3 LYS 3 17.278 9.739 19.320 24 H GLY 4 H GLY 4 17.689 4.210 13.477 25 HA2 GLY 4 HA2 GLY 4 16.653 5.577 11.110 26 HA3 GLY 4 HA3 GLY 4 16.913 3.843 11.292 27 H THR 5 H THR 5 14.709 3.857 10.246 28 HA THR 5 HA THR 5 12.610 3.977 12.335 29 HB THR 5 HB THR 5 10.986 4.579 10.577 30 HG1 THR 5 HG1 THR 5 11.743 3.971 8.690 31 HG21 THR 5 HG21 THR 5 13.369 6.447 10.680 32 HG22 THR 5 HG22 THR 5 12.093 6.356 11.894 33 HG23 THR 5 HG23 THR 5 11.717 6.898 10.257 34 H VAL 6 H VAL 6 10.898 2.440 12.123 35 HA VAL 6 HA VAL 6 11.501 0.112 10.414 36 HB VAL 6 HB VAL 6 10.906 -1.405 12.281 37 HG11 VAL 6 HG11 VAL 6 13.131 0.507 13.034 38 HG12 VAL 6 HG12 VAL 6 13.275 -0.737 11.791 39 HG13 VAL 6 HG13 VAL 6 13.003 -1.197 13.472 40 HG21 VAL 6 HG21 VAL 6 9.526 0.230 13.571 41 HG22 VAL 6 HG22 VAL 6 10.993 1.126 13.970 42 HG23 VAL 6 HG23 VAL 6 10.770 -0.516 14.576 43 H SER 7 H SER 7 9.690 -1.349 10.109 44 HA SER 7 HA SER 7 7.022 -0.298 10.651 45 HB2 SER 7 HB2 SER 7 7.606 0.780 8.532 46 HB3 SER 7 HB3 SER 7 8.034 -0.780 7.842 47 HG SER 7 HG SER 7 5.484 -0.069 8.888 48 H GLU 8 H GLU 8 5.381 -1.855 10.480 49 HA GLU 8 HA GLU 8 6.292 -4.635 10.034 50 HB2 GLU 8 HB2 GLU 8 6.034 -4.085 12.472 51 HB3 GLU 8 HB3 GLU 8 4.327 -3.749 12.167 52 HG2 GLU 8 HG2 GLU 8 4.018 -6.051 11.332 53 HG3 GLU 8 HG3 GLU 8 5.719 -6.392 11.632 54 HA PRO 9 HA PRO 9 2.680 -3.723 7.148 55 HB2 PRO 9 HB2 PRO 9 4.062 -5.888 5.640 56 HB3 PRO 9 HB3 PRO 9 3.435 -4.327 5.065 57 HG2 PRO 9 HG2 PRO 9 6.027 -4.692 5.309 58 HG3 PRO 9 HG3 PRO 9 5.289 -3.156 5.807 59 HD2 PRO 9 HD2 PRO 9 6.196 -5.443 7.533 60 HD3 PRO 9 HD3 PRO 9 6.409 -3.691 7.785 61 H THR 10 H THR 10 0.822 -4.931 6.866 62 HA THR 10 HA THR 10 0.743 -7.562 8.220 63 HB THR 10 HB THR 10 -1.470 -5.515 7.853 64 HG1 THR 10 HG1 THR 10 0.012 -6.325 10.131 65 HG21 THR 10 HG21 THR 10 -1.387 -8.158 9.347 66 HG22 THR 10 HG22 THR 10 -2.379 -7.783 7.938 67 HG23 THR 10 HG23 THR 10 -2.693 -6.979 9.476 68 H THR 11 H THR 11 0.193 -9.297 7.044 69 HA THR 11 HA THR 11 -0.889 -8.875 4.324 70 HB THR 11 HB THR 11 0.833 -11.159 5.351 71 HG1 THR 11 HG1 THR 11 1.381 -8.960 3.641 72 HG21 THR 11 HG21 THR 11 0.028 -10.511 2.498 73 HG22 THR 11 HG22 THR 11 -0.799 -11.713 3.489 74 HG23 THR 11 HG23 THR 11 0.899 -11.936 3.068 75 H VAL 12 H VAL 12 -2.890 -9.569 3.967 76 HA VAL 12 HA VAL 12 -3.939 -11.823 5.564 77 HB VAL 12 HB VAL 12 -5.449 -9.270 4.892 78 HG11 VAL 12 HG11 VAL 12 -6.320 -11.802 6.324 79 HG12 VAL 12 HG12 VAL 12 -6.983 -11.153 4.824 80 HG13 VAL 12 HG13 VAL 12 -7.237 -10.295 6.344 81 HG21 VAL 12 HG21 VAL 12 -3.919 -8.891 6.736 82 HG22 VAL 12 HG22 VAL 12 -4.382 -10.415 7.494 83 HG23 VAL 12 HG23 VAL 12 -5.536 -9.082 7.417 84 H ALA 13 H ALA 13 -4.843 -13.412 4.393 85 HA ALA 13 HA ALA 13 -5.285 -12.966 1.510 86 HB1 ALA 13 HB1 ALA 13 -4.961 -15.555 3.047 87 HB2 ALA 13 HB2 ALA 13 -3.711 -14.767 2.084 88 HB3 ALA 13 HB3 ALA 13 -5.153 -15.413 1.299 89 H PHE 14 H PHE 14 -7.233 -13.683 0.494 90 HA PHE 14 HA PHE 14 -9.392 -14.594 2.236 91 HB2 PHE 14 HB2 PHE 14 -10.939 -12.828 1.579 92 HB3 PHE 14 HB3 PHE 14 -9.522 -12.118 2.340 93 HD1 PHE 14 HD1 PHE 14 -11.422 -12.496 -0.769 94 HD2 PHE 14 HD2 PHE 14 -7.819 -10.922 0.966 95 HE1 PHE 14 HE1 PHE 14 -11.051 -11.112 -2.791 96 HE2 PHE 14 HE2 PHE 14 -7.455 -9.538 -1.069 97 HZ PHE 14 HZ PHE 14 -9.070 -9.635 -2.939 98 H ASP 15 H ASP 15 -11.317 -15.274 1.054 99 HA ASP 15 HA ASP 15 -10.561 -16.450 -1.531 100 HB2 ASP 15 HB2 ASP 15 -12.839 -17.179 0.324 101 HB3 ASP 15 HB3 ASP 15 -12.355 -18.051 -1.130 102 H VAL 16 H VAL 16 -11.441 -15.792 -3.359 103 HA VAL 16 HA VAL 16 -13.748 -13.974 -3.303 104 HB VAL 16 HB VAL 16 -11.858 -14.705 -5.584 105 HG11 VAL 16 HG11 VAL 16 -12.932 -12.723 -6.707 106 HG12 VAL 16 HG12 VAL 16 -14.120 -12.686 -5.405 107 HG13 VAL 16 HG13 VAL 16 -14.032 -14.083 -6.478 108 HG21 VAL 16 HG21 VAL 16 -10.919 -13.309 -3.665 109 HG22 VAL 16 HG22 VAL 16 -12.113 -12.080 -4.090 110 HG23 VAL 16 HG23 VAL 16 -10.867 -12.534 -5.251 111 H ARG 17 H ARG 17 -15.604 -15.021 -3.297 112 HA ARG 17 HA ARG 17 -15.864 -17.525 -4.819 113 HB2 ARG 17 HB2 ARG 17 -17.481 -16.478 -2.485 114 HB3 ARG 17 HB3 ARG 17 -17.787 -17.999 -3.326 115 HG2 ARG 17 HG2 ARG 17 -15.605 -18.874 -2.688 116 HG3 ARG 17 HG3 ARG 17 -15.127 -17.310 -2.028 117 HD2 ARG 17 HD2 ARG 17 -15.782 -18.864 -0.235 118 HD3 ARG 17 HD3 ARG 17 -16.861 -17.475 -0.303 119 HE ARG 17 HE ARG 17 -18.597 -18.915 -0.992 120 HH11 ARG 17 HH11 ARG 17 -15.541 -20.644 -0.997 121 HH12 ARG 17 HH12 ARG 17 -16.280 -22.196 -1.210 122 HH21 ARG 17 HH21 ARG 17 -19.522 -20.957 -1.281 123 HH22 ARG 17 HH22 ARG 17 -18.522 -22.369 -1.369 124 HA PRO 18 HA PRO 18 -18.410 -14.792 -7.466 125 HB2 PRO 18 HB2 PRO 18 -18.741 -16.385 -9.564 126 HB3 PRO 18 HB3 PRO 18 -17.172 -15.632 -9.221 127 HG2 PRO 18 HG2 PRO 18 -18.088 -18.414 -8.623 128 HG3 PRO 18 HG3 PRO 18 -16.554 -17.870 -9.330 129 HD2 PRO 18 HD2 PRO 18 -16.792 -18.496 -6.687 130 HD3 PRO 18 HD3 PRO 18 -15.657 -17.253 -7.269 131 H GLY 19 H GLY 19 -20.537 -14.987 -8.626 132 HA2 GLY 19 HA2 GLY 19 -22.496 -16.721 -8.740 133 HA3 GLY 19 HA3 GLY 19 -22.430 -16.539 -6.990 134 H GLY 20 H GLY 20 -21.637 -13.633 -8.647 135 HA2 GLY 20 HA2 GLY 20 -22.767 -11.677 -9.082 136 HA3 GLY 20 HA3 GLY 20 -24.258 -12.609 -9.122 137 H VAL 21 H VAL 21 -22.160 -12.712 -6.332 138 HA VAL 21 HA VAL 21 -24.186 -11.246 -4.756 139 HB VAL 21 HB VAL 21 -22.121 -13.269 -3.826 140 HG11 VAL 21 HG11 VAL 21 -24.321 -11.787 -2.361 141 HG12 VAL 21 HG12 VAL 21 -22.591 -11.751 -2.018 142 HG13 VAL 21 HG13 VAL 21 -23.521 -13.216 -1.706 143 HG21 VAL 21 HG21 VAL 21 -23.933 -14.842 -3.612 144 HG22 VAL 21 HG22 VAL 21 -24.068 -14.149 -5.227 145 HG23 VAL 21 HG23 VAL 21 -25.135 -13.592 -3.938 146 H VAL 22 H VAL 22 -23.663 -9.373 -3.900 147 HA VAL 22 HA VAL 22 -21.096 -8.196 -4.389 148 HB VAL 22 HB VAL 22 -23.435 -7.189 -2.717 149 HG11 VAL 22 HG11 VAL 22 -20.982 -5.737 -3.777 150 HG12 VAL 22 HG12 VAL 22 -21.354 -6.050 -2.082 151 HG13 VAL 22 HG13 VAL 22 -22.368 -4.953 -3.018 152 HG21 VAL 22 HG21 VAL 22 -24.049 -7.488 -5.064 153 HG22 VAL 22 HG22 VAL 22 -22.585 -6.653 -5.584 154 HG23 VAL 22 HG23 VAL 22 -23.854 -5.764 -4.739 155 H HIS 23 H HIS 23 -19.361 -8.465 -3.243 156 HA HIS 23 HA HIS 23 -19.579 -9.234 -0.394 157 HB2 HIS 23 HB2 HIS 23 -17.402 -9.907 -2.383 158 HB3 HIS 23 HB3 HIS 23 -17.375 -10.319 -0.671 159 HD2 HIS 23 HD2 HIS 23 -18.597 -11.849 -3.936 160 HE1 HIS 23 HE1 HIS 23 -20.787 -13.800 -0.903 161 HE2 HIS 23 HE2 HIS 23 -20.178 -13.846 -3.365 162 H SER 24 H SER 24 -18.482 -8.124 1.085 163 HA SER 24 HA SER 24 -16.802 -5.866 0.161 164 HB2 SER 24 HB2 SER 24 -18.616 -5.990 2.581 165 HB3 SER 24 HB3 SER 24 -17.526 -4.660 2.191 166 HG SER 24 HG SER 24 -19.789 -5.602 0.763 167 H PHE 25 H PHE 25 -14.806 -5.795 0.872 168 HA PHE 25 HA PHE 25 -14.038 -7.375 3.256 169 HB2 PHE 25 HB2 PHE 25 -12.482 -7.127 0.666 170 HB3 PHE 25 HB3 PHE 25 -11.889 -7.902 2.138 171 HD1 PHE 25 HD1 PHE 25 -14.098 -8.211 -0.761 172 HD2 PHE 25 HD2 PHE 25 -12.962 -9.978 2.984 173 HE1 PHE 25 HE1 PHE 25 -15.222 -10.321 -1.417 174 HE2 PHE 25 HE2 PHE 25 -14.087 -12.089 2.330 175 HZ PHE 25 HZ PHE 25 -15.216 -12.262 0.129 176 H SER 26 H SER 26 -12.459 -6.460 4.577 177 HA SER 26 HA SER 26 -11.206 -3.970 3.808 178 HB2 SER 26 HB2 SER 26 -12.174 -2.618 5.574 179 HB3 SER 26 HB3 SER 26 -13.453 -3.249 4.541 180 HG SER 26 HG SER 26 -14.228 -4.151 6.269 181 H HIS 27 H HIS 27 -9.823 -3.075 5.538 182 HA HIS 27 HA HIS 27 -9.030 -4.920 7.650 183 HB2 HIS 27 HB2 HIS 27 -7.777 -5.613 5.564 184 HB3 HIS 27 HB3 HIS 27 -6.992 -4.032 5.598 185 HD2 HIS 27 HD2 HIS 27 -6.791 -7.455 7.444 186 HE1 HIS 27 HE1 HIS 27 -4.024 -4.864 9.298 187 HE2 HIS 27 HE2 HIS 27 -4.832 -7.267 9.157 188 H ASN 28 H ASN 28 -8.048 -3.907 9.358 189 HA ASN 28 HA ASN 28 -7.730 -0.969 9.157 190 HB2 ASN 28 HB2 ASN 28 -8.325 -0.905 11.562 191 HB3 ASN 28 HB3 ASN 28 -9.625 -1.548 10.554 192 HD21 ASN 28 HD21 ASN 28 -10.612 -3.078 11.924 193 HD22 ASN 28 HD22 ASN 28 -9.780 -4.348 12.685 194 H VAL 29 H VAL 29 -6.267 -0.035 10.829 195 HA VAL 29 HA VAL 29 -3.959 -1.799 11.402 196 HB VAL 29 HB VAL 29 -2.465 0.135 10.956 197 HG11 VAL 29 HG11 VAL 29 -2.501 -0.069 8.578 198 HG12 VAL 29 HG12 VAL 29 -4.231 -0.413 8.566 199 HG13 VAL 29 HG13 VAL 29 -3.099 -1.601 9.214 200 HG21 VAL 29 HG21 VAL 29 -3.242 2.197 10.102 201 HG22 VAL 29 HG22 VAL 29 -4.471 1.811 11.303 202 HG23 VAL 29 HG23 VAL 29 -4.793 1.526 9.599 203 H GLY 30 H GLY 30 -2.743 -1.300 13.289 204 HA2 GLY 30 HA2 GLY 30 -4.276 -0.563 15.526 205 HA3 GLY 30 HA3 GLY 30 -2.523 -0.737 15.513 206 HA PRO 31 HA PRO 31 -1.757 3.714 15.541 207 HB2 PRO 31 HB2 PRO 31 -1.230 3.932 12.610 208 HB3 PRO 31 HB3 PRO 31 -0.213 4.422 13.983 209 HG2 PRO 31 HG2 PRO 31 0.418 2.289 12.601 210 HG3 PRO 31 HG3 PRO 31 0.526 2.254 14.376 211 HD2 PRO 31 HD2 PRO 31 -1.619 1.096 12.610 212 HD3 PRO 31 HD3 PRO 31 -0.834 0.382 14.043 213 H GLY 32 H GLY 32 -3.470 2.859 12.557 214 HA2 GLY 32 HA2 GLY 32 -5.111 5.279 12.648 215 HA3 GLY 32 HA3 GLY 32 -5.047 4.109 11.331 216 H ASP 33 H ASP 33 -6.340 4.746 14.553 217 HA ASP 33 HA ASP 33 -7.870 2.384 14.851 218 HB2 ASP 33 HB2 ASP 33 -8.218 5.164 15.985 219 HB3 ASP 33 HB3 ASP 33 -9.266 3.816 16.418 220 H LYS 34 H LYS 34 -8.527 5.454 13.242 221 HA LYS 34 HA LYS 34 -11.212 4.535 12.463 222 HB2 LYS 34 HB2 LYS 34 -9.904 7.247 12.218 223 HB3 LYS 34 HB3 LYS 34 -11.537 6.865 11.665 224 HG2 LYS 34 HG2 LYS 34 -12.131 6.167 13.955 225 HG3 LYS 34 HG3 LYS 34 -10.518 6.617 14.508 226 HD2 LYS 34 HD2 LYS 34 -10.909 8.946 13.753 227 HD3 LYS 34 HD3 LYS 34 -12.548 8.502 13.266 228 HE2 LYS 34 HE2 LYS 34 -11.449 8.267 16.086 229 HE3 LYS 34 HE3 LYS 34 -12.503 9.559 15.517 230 HZ1 LYS 34 HZ1 LYS 34 -13.257 7.082 16.512 231 HZ2 LYS 34 HZ2 LYS 34 -13.629 7.040 14.856 232 HZ3 LYS 34 HZ3 LYS 34 -14.261 8.268 15.844 233 H TYR 35 H TYR 35 -8.114 4.406 11.224 234 HA TYR 35 HA TYR 35 -8.744 4.953 8.443 235 HB2 TYR 35 HB2 TYR 35 -6.504 5.437 9.517 236 HB3 TYR 35 HB3 TYR 35 -6.240 3.694 9.580 237 HD1 TYR 35 HD1 TYR 35 -6.496 6.628 7.415 238 HD2 TYR 35 HD2 TYR 35 -6.001 2.375 7.529 239 HE1 TYR 35 HE1 TYR 35 -5.775 6.658 5.045 240 HE2 TYR 35 HE2 TYR 35 -5.277 2.389 5.156 241 HH TYR 35 HH TYR 35 -5.536 3.818 3.172 242 H THR 36 H THR 36 -9.904 3.491 7.296 243 HA THR 36 HA THR 36 -9.082 0.665 7.436 244 HB THR 36 HB THR 36 -11.982 1.533 7.449 245 HG1 THR 36 HG1 THR 36 -10.354 0.421 9.495 246 HG21 THR 36 HG21 THR 36 -12.411 -0.855 7.840 247 HG22 THR 36 HG22 THR 36 -10.679 -1.185 7.780 248 HG23 THR 36 HG23 THR 36 -11.521 -0.629 6.333 249 H CYS 37 H CYS 37 -8.959 -0.323 5.501 250 HA CYS 37 HA CYS 37 -9.744 1.181 3.098 251 HB2 CYS 37 HB2 CYS 37 -8.035 -1.322 3.370 252 HB3 CYS 37 HB3 CYS 37 -8.403 -0.506 1.850 253 H MET 38 H MET 38 -11.351 0.519 1.773 254 HA MET 38 HA MET 38 -12.733 -2.012 2.438 255 HB2 MET 38 HB2 MET 38 -13.973 0.622 1.664 256 HB3 MET 38 HB3 MET 38 -14.850 -0.899 1.833 257 HG2 MET 38 HG2 MET 38 -14.181 -1.091 4.149 258 HG3 MET 38 HG3 MET 38 -13.213 0.377 4.036 259 HE1 MET 38 HE1 MET 38 -14.314 1.024 6.093 260 HE2 MET 38 HE2 MET 38 -15.713 -0.031 6.278 261 HE3 MET 38 HE3 MET 38 -15.936 1.715 6.268 262 H PHE 39 H PHE 39 -13.433 -3.265 0.854 263 HA PHE 39 HA PHE 39 -13.102 -2.358 -1.933 264 HB2 PHE 39 HB2 PHE 39 -12.075 -4.969 -0.793 265 HB3 PHE 39 HB3 PHE 39 -12.078 -4.538 -2.503 266 HD1 PHE 39 HD1 PHE 39 -10.674 -3.693 0.819 267 HD2 PHE 39 HD2 PHE 39 -10.487 -2.965 -3.408 268 HE1 PHE 39 HE1 PHE 39 -8.540 -2.469 1.128 269 HE2 PHE 39 HE2 PHE 39 -8.352 -1.747 -3.101 270 HZ PHE 39 HZ PHE 39 -7.378 -1.494 -0.834 271 H THR 40 H THR 40 -15.072 -2.435 -2.764 272 HA THR 40 HA THR 40 -16.814 -4.763 -2.143 273 HB THR 40 HB THR 40 -17.634 -1.973 -3.037 274 HG1 THR 40 HG1 THR 40 -17.853 -1.564 -0.987 275 HG21 THR 40 HG21 THR 40 -19.356 -4.279 -2.074 276 HG22 THR 40 HG22 THR 40 -19.146 -3.848 -3.771 277 HG23 THR 40 HG23 THR 40 -19.913 -2.712 -2.662 278 H TYR 41 H TYR 41 -17.249 -6.140 -3.772 279 HA TYR 41 HA TYR 41 -17.406 -5.240 -6.522 280 HB2 TYR 41 HB2 TYR 41 -15.633 -6.731 -7.371 281 HB3 TYR 41 HB3 TYR 41 -14.988 -5.493 -6.297 282 HD1 TYR 41 HD1 TYR 41 -15.742 -9.087 -6.667 283 HD2 TYR 41 HD2 TYR 41 -14.141 -6.061 -4.073 284 HE1 TYR 41 HE1 TYR 41 -14.760 -10.846 -5.218 285 HE2 TYR 41 HE2 TYR 41 -13.159 -7.820 -2.625 286 HH TYR 41 HH TYR 41 -12.519 -10.093 -2.672 287 H ALA 42 H ALA 42 -17.999 -6.955 -8.042 288 HA ALA 42 HA ALA 42 -19.281 -9.303 -6.782 289 HB1 ALA 42 HB1 ALA 42 -20.835 -7.338 -7.586 290 HB2 ALA 42 HB2 ALA 42 -21.268 -9.005 -7.960 291 HB3 ALA 42 HB3 ALA 42 -20.509 -7.994 -9.188 292 H SER 43 H SER 43 -19.033 -11.252 -7.889 293 HA SER 43 HA SER 43 -17.602 -11.153 -10.468 294 HB2 SER 43 HB2 SER 43 -16.824 -12.856 -8.104 295 HB3 SER 43 HB3 SER 43 -16.089 -12.902 -9.707 296 HG SER 43 HG SER 43 -16.241 -10.638 -7.990 297 H GLN 44 H GLN 44 -17.682 -12.993 -11.741 298 HA GLN 44 HA GLN 44 -19.731 -14.998 -11.076 299 HB2 GLN 44 HB2 GLN 44 -20.757 -13.414 -12.661 300 HB3 GLN 44 HB3 GLN 44 -19.412 -13.626 -13.778 301 HG2 GLN 44 HG2 GLN 44 -19.974 -15.921 -14.165 302 HG3 GLN 44 HG3 GLN 44 -21.148 -15.924 -12.856 303 HE21 GLN 44 HE21 GLN 44 -21.504 -16.431 -15.841 304 HE22 GLN 44 HE22 GLN 44 -22.708 -15.339 -16.329 305 H GLY 45 H GLY 45 -19.073 -17.033 -11.349 306 HA2 GLY 45 HA2 GLY 45 -17.376 -18.056 -13.310 307 HA3 GLY 45 HA3 GLY 45 -16.388 -17.692 -11.894 308 H GLY 46 H GLY 46 -16.374 -20.238 -12.467 309 HA2 GLY 46 HA2 GLY 46 -18.462 -21.537 -10.826 310 HA3 GLY 46 HA3 GLY 46 -17.551 -22.332 -12.106 311 H THR 47 H THR 47 -15.487 -20.354 -10.264 312 HA THR 47 HA THR 47 -14.941 -22.356 -8.211 313 HB THR 47 HB THR 47 -13.667 -23.192 -10.126 314 HG1 THR 47 HG1 THR 47 -11.541 -22.963 -9.079 315 HG21 THR 47 HG21 THR 47 -13.418 -20.886 -11.193 316 HG22 THR 47 HG22 THR 47 -11.986 -21.914 -11.244 317 HG23 THR 47 HG23 THR 47 -12.092 -20.610 -10.061 318 H ASN 48 H ASN 48 -13.726 -21.635 -6.472 319 HA ASN 48 HA ASN 48 -13.775 -18.819 -6.001 320 HB2 ASN 48 HB2 ASN 48 -12.617 -21.068 -4.336 321 HB3 ASN 48 HB3 ASN 48 -13.005 -19.434 -3.786 322 HD21 ASN 48 HD21 ASN 48 -14.174 -22.219 -3.081 323 HD22 ASN 48 HD22 ASN 48 -15.849 -22.000 -3.248 324 H GLU 49 H GLU 49 -11.871 -17.598 -5.307 325 HA GLU 49 HA GLU 49 -9.308 -18.593 -6.389 326 HB2 GLU 49 HB2 GLU 49 -10.384 -17.014 -7.997 327 HB3 GLU 49 HB3 GLU 49 -10.351 -15.776 -6.739 328 HG2 GLU 49 HG2 GLU 49 -8.421 -15.498 -8.229 329 HG3 GLU 49 HG3 GLU 49 -7.877 -15.975 -6.622 330 H GLN 50 H GLN 50 -7.469 -17.835 -5.397 331 HA GLN 50 HA GLN 50 -7.893 -16.766 -2.682 332 HB2 GLN 50 HB2 GLN 50 -5.596 -18.325 -3.878 333 HB3 GLN 50 HB3 GLN 50 -5.597 -17.657 -2.244 334 HG2 GLN 50 HG2 GLN 50 -7.565 -18.970 -1.659 335 HG3 GLN 50 HG3 GLN 50 -7.687 -19.573 -3.311 336 HE21 GLN 50 HE21 GLN 50 -7.048 -20.921 -0.563 337 HE22 GLN 50 HE22 GLN 50 -5.669 -21.850 -0.903 338 H TRP 51 H TRP 51 -7.284 -14.791 -2.208 339 HA TRP 51 HA TRP 51 -5.337 -13.403 -3.945 340 HB2 TRP 51 HB2 TRP 51 -7.918 -12.380 -2.788 341 HB3 TRP 51 HB3 TRP 51 -6.668 -11.312 -3.417 342 HD1 TRP 51 HD1 TRP 51 -8.832 -14.299 -4.603 343 HE1 TRP 51 HE1 TRP 51 -9.255 -14.007 -7.141 344 HE3 TRP 51 HE3 TRP 51 -6.031 -10.124 -5.494 345 HZ2 TRP 51 HZ2 TRP 51 -8.497 -12.216 -9.269 346 HZ3 TRP 51 HZ3 TRP 51 -5.899 -9.145 -7.765 347 HH2 TRP 51 HH2 TRP 51 -7.125 -10.181 -9.647 348 H GLN 52 H GLN 52 -3.905 -12.027 -3.010 349 HA GLN 52 HA GLN 52 -3.660 -12.224 -0.073 350 HB2 GLN 52 HB2 GLN 52 -1.558 -11.498 -2.133 351 HB3 GLN 52 HB3 GLN 52 -1.301 -11.615 -0.397 352 HG2 GLN 52 HG2 GLN 52 -1.949 -13.997 -0.439 353 HG3 GLN 52 HG3 GLN 52 -2.200 -13.895 -2.181 354 HE21 GLN 52 HE21 GLN 52 0.052 -14.882 0.056 355 HE22 GLN 52 HE22 GLN 52 1.463 -14.689 -0.869 356 H MET 53 H MET 53 -3.594 -10.440 1.185 357 HA MET 53 HA MET 53 -3.901 -7.806 -0.142 358 HB2 MET 53 HB2 MET 53 -4.954 -8.604 2.594 359 HB3 MET 53 HB3 MET 53 -5.192 -7.068 1.759 360 HG2 MET 53 HG2 MET 53 -6.454 -8.217 -0.026 361 HG3 MET 53 HG3 MET 53 -6.191 -9.757 0.774 362 HE1 MET 53 HE1 MET 53 -7.268 -6.111 2.382 363 HE2 MET 53 HE2 MET 53 -8.935 -6.317 1.851 364 HE3 MET 53 HE3 MET 53 -7.630 -6.402 0.672 365 H SER 54 H SER 54 -2.378 -6.328 0.353 366 HA SER 54 HA SER 54 -0.755 -6.764 2.779 367 HB2 SER 54 HB2 SER 54 0.280 -6.025 0.040 368 HB3 SER 54 HB3 SER 54 1.229 -5.974 1.523 369 HG SER 54 HG SER 54 0.929 -8.188 1.736 370 H LEU 55 H LEU 55 -0.498 -5.064 3.997 371 HA LEU 55 HA LEU 55 -0.965 -2.380 2.882 372 HB2 LEU 55 HB2 LEU 55 -2.236 -1.752 4.895 373 HB3 LEU 55 HB3 LEU 55 -3.069 -2.980 3.947 374 HG LEU 55 HG LEU 55 -1.235 -3.956 6.145 375 HD11 LEU 55 HD11 LEU 55 -2.533 -2.079 7.151 376 HD12 LEU 55 HD12 LEU 55 -2.883 -3.649 7.876 377 HD13 LEU 55 HD13 LEU 55 -4.018 -2.930 6.730 378 HD21 LEU 55 HD21 LEU 55 -2.492 -5.531 4.654 379 HD22 LEU 55 HD22 LEU 55 -4.001 -4.820 5.216 380 HD23 LEU 55 HD23 LEU 55 -2.967 -5.694 6.344 381 H GLY 56 H GLY 56 0.145 -0.718 3.902 382 HA2 GLY 56 HA2 GLY 56 1.938 -1.363 6.115 383 HA3 GLY 56 HA3 GLY 56 2.706 -0.985 4.576 384 H THR 57 H THR 57 3.386 0.573 6.556 385 HA THR 57 HA THR 57 1.920 3.104 6.102 386 HB THR 57 HB THR 57 2.366 3.747 8.425 387 HG1 THR 57 HG1 THR 57 3.481 1.147 8.618 388 HG21 THR 57 HG21 THR 57 0.353 2.182 7.719 389 HG22 THR 57 HG22 THR 57 0.679 2.476 9.426 390 HG23 THR 57 HG23 THR 57 1.222 0.981 8.672 391 H SER 58 H SER 58 3.237 5.030 6.353 392 HA SER 58 HA SER 58 5.799 4.794 5.102 393 HB2 SER 58 HB2 SER 58 5.870 7.193 5.232 394 HB3 SER 58 HB3 SER 58 4.205 6.730 4.871 395 HG SER 58 HG SER 58 3.865 6.840 7.193 396 H GLU 59 H GLU 59 7.799 5.782 6.052 397 HA GLU 59 HA GLU 59 8.572 4.481 8.411 398 HB2 GLU 59 HB2 GLU 59 10.600 5.894 8.331 399 HB3 GLU 59 HB3 GLU 59 10.203 5.251 6.739 400 HG2 GLU 59 HG2 GLU 59 9.088 7.398 6.163 401 HG3 GLU 59 HG3 GLU 59 9.536 8.042 7.743 402 H ASP 60 H ASP 60 7.170 7.654 7.931 403 HA ASP 60 HA ASP 60 7.374 8.251 10.808 404 HB2 ASP 60 HB2 ASP 60 6.517 10.014 8.504 405 HB3 ASP 60 HB3 ASP 60 6.631 10.517 10.192 406 H HIS 61 H HIS 61 5.306 6.552 8.917 407 HA HIS 61 HA HIS 61 3.120 5.910 9.050 408 HB2 HIS 61 HB2 HIS 61 3.374 7.184 11.784 409 HB3 HIS 61 HB3 HIS 61 1.978 6.236 11.255 410 HD2 HIS 61 HD2 HIS 61 5.912 5.558 11.525 411 HE1 HIS 61 HE1 HIS 61 3.822 1.944 12.147 412 HE2 HIS 61 HE2 HIS 61 6.121 3.020 12.091 413 H GLN 62 H GLN 62 3.885 8.613 8.031 414 HA GLN 62 HA GLN 62 1.616 10.327 8.557 415 HB2 GLN 62 HB2 GLN 62 2.657 11.812 6.857 416 HB3 GLN 62 HB3 GLN 62 3.774 11.375 8.152 417 HG2 GLN 62 HG2 GLN 62 4.869 9.750 6.775 418 HG3 GLN 62 HG3 GLN 62 3.637 9.880 5.528 419 HE21 GLN 62 HE21 GLN 62 6.751 10.703 5.988 420 HE22 GLN 62 HE22 GLN 62 6.814 12.191 5.174 421 H HIS 63 H HIS 63 2.553 7.952 6.157 422 HA HIS 63 HA HIS 63 0.017 8.440 4.720 423 HB2 HIS 63 HB2 HIS 63 2.680 7.631 3.540 424 HB3 HIS 63 HB3 HIS 63 1.151 7.608 2.658 425 HD2 HIS 63 HD2 HIS 63 3.962 10.065 3.288 426 HE1 HIS 63 HE1 HIS 63 0.589 12.418 2.363 427 HE2 HIS 63 HE2 HIS 63 3.111 12.444 2.638 428 H PHE 64 H PHE 64 -1.156 6.687 4.048 429 HA PHE 64 HA PHE 64 -0.260 4.021 4.990 430 HB2 PHE 64 HB2 PHE 64 -3.000 5.272 5.305 431 HB3 PHE 64 HB3 PHE 64 -2.604 3.597 5.715 432 HD1 PHE 64 HD1 PHE 64 -1.849 7.150 6.503 433 HD2 PHE 64 HD2 PHE 64 -1.473 3.066 7.764 434 HE1 PHE 64 HE1 PHE 64 -1.011 7.911 8.705 435 HE2 PHE 64 HE2 PHE 64 -0.636 3.826 9.970 436 HZ PHE 64 HZ PHE 64 -0.405 6.248 10.442 437 H THR 65 H THR 65 -0.740 2.280 3.669 438 HA THR 65 HA THR 65 -2.429 2.785 1.307 439 HB THR 65 HB THR 65 -0.157 3.265 0.572 440 HG1 THR 65 HG1 THR 65 -0.089 1.647 -1.086 441 HG21 THR 65 HG21 THR 65 1.050 1.889 2.239 442 HG22 THR 65 HG22 THR 65 1.578 1.523 0.596 443 HG23 THR 65 HG23 THR 65 0.477 0.428 1.433 444 H CYS 66 H CYS 66 -3.377 1.055 0.339 445 HA CYS 66 HA CYS 66 -3.048 -1.595 1.595 446 HB2 CYS 66 HB2 CYS 66 -5.664 -0.298 0.752 447 HB3 CYS 66 HB3 CYS 66 -5.477 -1.975 1.277 448 H THR 67 H THR 67 -2.808 -3.264 0.158 449 HA THR 67 HA THR 67 -3.321 -2.719 -2.711 450 HB THR 67 HB THR 67 -0.816 -4.008 -1.606 451 HG1 THR 67 HG1 THR 67 0.159 -2.078 -2.164 452 HG21 THR 67 HG21 THR 67 -1.770 -4.601 -3.999 453 HG22 THR 67 HG22 THR 67 -0.061 -4.223 -3.812 454 HG23 THR 67 HG23 THR 67 -1.170 -2.996 -4.417 455 H ILE 68 H ILE 68 -4.233 -4.344 -3.834 456 HA ILE 68 HA ILE 68 -4.307 -7.047 -2.622 457 HB ILE 68 HB ILE 68 -6.645 -5.660 -3.983 458 HG12 ILE 68 HG12 ILE 68 -6.325 -6.479 -1.068 459 HG13 ILE 68 HG13 ILE 68 -6.031 -4.846 -1.653 460 HG21 ILE 68 HG21 ILE 68 -6.501 -8.353 -2.554 461 HG22 ILE 68 HG22 ILE 68 -6.513 -8.162 -4.307 462 HG23 ILE 68 HG23 ILE 68 -7.917 -7.674 -3.359 463 HD11 ILE 68 HD11 ILE 68 -8.650 -6.371 -1.724 464 HD12 ILE 68 HD12 ILE 68 -8.388 -4.854 -2.581 465 HD13 ILE 68 HD13 ILE 68 -8.288 -4.903 -0.820 466 H TRP 69 H TRP 69 -3.688 -8.645 -3.944 467 HA TRP 69 HA TRP 69 -4.266 -8.589 -6.787 468 HB2 TRP 69 HB2 TRP 69 -1.970 -8.838 -7.595 469 HB3 TRP 69 HB3 TRP 69 -2.101 -7.330 -6.699 470 HD1 TRP 69 HD1 TRP 69 -0.310 -10.624 -6.749 471 HE1 TRP 69 HE1 TRP 69 1.346 -10.750 -4.777 472 HE3 TRP 69 HE3 TRP 69 -1.795 -6.537 -4.124 473 HZ2 TRP 69 HZ2 TRP 69 1.950 -9.307 -2.396 474 HZ3 TRP 69 HZ3 TRP 69 -0.666 -5.926 -1.989 475 HH2 TRP 69 HH2 TRP 69 1.205 -7.322 -1.133 476 H ARG 70 H ARG 70 -3.715 -10.689 -7.843 477 HA ARG 70 HA ARG 70 -4.167 -12.838 -5.928 478 HB2 ARG 70 HB2 ARG 70 -4.856 -14.196 -7.761 479 HB3 ARG 70 HB3 ARG 70 -5.471 -12.590 -8.132 480 HG2 ARG 70 HG2 ARG 70 -3.398 -12.222 -9.543 481 HG3 ARG 70 HG3 ARG 70 -3.020 -13.923 -9.242 482 HD2 ARG 70 HD2 ARG 70 -4.139 -13.801 -11.367 483 HD3 ARG 70 HD3 ARG 70 -5.268 -14.506 -10.208 484 HE ARG 70 HE ARG 70 -6.603 -12.601 -10.415 485 HH11 ARG 70 HH11 ARG 70 -3.467 -11.977 -11.878 486 HH12 ARG 70 HH12 ARG 70 -3.960 -10.476 -12.587 487 HH21 ARG 70 HH21 ARG 70 -7.202 -10.636 -11.366 488 HH22 ARG 70 HH22 ARG 70 -6.060 -9.724 -12.294 489 HA PRO 71 HA PRO 71 0.082 -14.243 -5.813 490 HB2 PRO 71 HB2 PRO 71 -0.162 -16.805 -5.093 491 HB3 PRO 71 HB3 PRO 71 -0.662 -15.481 -4.014 492 HG2 PRO 71 HG2 PRO 71 -2.353 -17.131 -5.853 493 HG3 PRO 71 HG3 PRO 71 -2.617 -16.759 -4.126 494 HD2 PRO 71 HD2 PRO 71 -3.853 -15.418 -6.117 495 HD3 PRO 71 HD3 PRO 71 -3.377 -14.616 -4.597 496 H GLN 72 H GLN 72 -2.094 -16.395 -7.639 497 HA GLN 72 HA GLN 72 -0.156 -17.944 -8.965 498 HB2 GLN 72 HB2 GLN 72 -3.010 -17.267 -9.669 499 HB3 GLN 72 HB3 GLN 72 -2.037 -18.424 -10.588 500 HG2 GLN 72 HG2 GLN 72 -1.680 -19.753 -8.545 501 HG3 GLN 72 HG3 GLN 72 -2.639 -18.595 -7.620 502 HE21 GLN 72 HE21 GLN 72 -4.476 -19.881 -7.124 503 HE22 GLN 72 HE22 GLN 72 -5.467 -20.590 -8.306 504 H GLY 73 H GLY 73 -1.694 -14.960 -9.852 505 HA2 GLY 73 HA2 GLY 73 -0.643 -13.253 -11.161 506 HA3 GLY 73 HA3 GLY 73 0.287 -14.510 -11.980 507 H LYS 74 H LYS 74 -2.298 -16.164 -12.174 508 HA LYS 74 HA LYS 74 -3.838 -14.583 -14.104 509 HB2 LYS 74 HB2 LYS 74 -2.694 -17.312 -14.753 510 HB3 LYS 74 HB3 LYS 74 -3.787 -16.384 -15.776 511 HG2 LYS 74 HG2 LYS 74 -1.061 -15.366 -14.894 512 HG3 LYS 74 HG3 LYS 74 -1.328 -16.217 -16.414 513 HD2 LYS 74 HD2 LYS 74 -2.829 -13.682 -15.655 514 HD3 LYS 74 HD3 LYS 74 -1.338 -13.681 -16.586 515 HE2 LYS 74 HE2 LYS 74 -2.417 -15.160 -18.277 516 HE3 LYS 74 HE3 LYS 74 -3.929 -15.051 -17.372 517 HZ1 LYS 74 HZ1 LYS 74 -3.416 -12.498 -17.596 518 HZ2 LYS 74 HZ2 LYS 74 -4.222 -13.354 -18.822 519 HZ3 LYS 74 HZ3 LYS 74 -2.563 -13.017 -18.965 520 H SER 75 H SER 75 -5.890 -14.720 -13.582 521 HA SER 75 HA SER 75 -6.943 -17.247 -12.444 522 HB2 SER 75 HB2 SER 75 -7.022 -15.523 -10.742 523 HB3 SER 75 HB3 SER 75 -7.788 -14.400 -11.864 524 HG SER 75 HG SER 75 -9.629 -15.522 -11.728 525 H TYR 76 H TYR 76 -8.749 -18.133 -13.408 526 HA TYR 76 HA TYR 76 -9.788 -16.702 -15.782 527 HB2 TYR 76 HB2 TYR 76 -8.762 -19.048 -16.002 528 HB3 TYR 76 HB3 TYR 76 -10.192 -19.635 -15.151 529 HD1 TYR 76 HD1 TYR 76 -8.963 -17.980 -18.225 530 HD2 TYR 76 HD2 TYR 76 -12.372 -19.663 -16.219 531 HE1 TYR 76 HE1 TYR 76 -10.233 -17.936 -20.351 532 HE2 TYR 76 HE2 TYR 76 -13.644 -19.619 -18.349 533 HH TYR 76 HH TYR 76 -12.129 -19.011 -21.381 534 H LEU 77 H LEU 77 -11.201 -15.367 -14.614 535 HA LEU 77 HA LEU 77 -13.717 -16.657 -13.823 536 HB2 LEU 77 HB2 LEU 77 -12.188 -14.657 -12.144 537 HB3 LEU 77 HB3 LEU 77 -13.890 -15.050 -11.887 538 HG LEU 77 HG LEU 77 -11.706 -17.156 -11.917 539 HD11 LEU 77 HD11 LEU 77 -12.928 -15.663 -9.577 540 HD12 LEU 77 HD12 LEU 77 -11.242 -15.597 -10.094 541 HD13 LEU 77 HD13 LEU 77 -11.906 -17.092 -9.433 542 HD21 LEU 77 HD21 LEU 77 -13.923 -18.073 -12.285 543 HD22 LEU 77 HD22 LEU 77 -14.597 -17.086 -10.987 544 HD23 LEU 77 HD23 LEU 77 -13.488 -18.403 -10.607 545 H TYR 78 H TYR 78 -15.593 -15.307 -14.083 546 HA TYR 78 HA TYR 78 -15.103 -13.000 -15.853 547 HB2 TYR 78 HB2 TYR 78 -16.591 -14.841 -16.671 548 HB3 TYR 78 HB3 TYR 78 -17.698 -14.487 -15.342 549 HD1 TYR 78 HD1 TYR 78 -16.133 -13.095 -18.417 550 HD2 TYR 78 HD2 TYR 78 -19.169 -12.591 -15.421 551 HE1 TYR 78 HE1 TYR 78 -17.161 -11.283 -19.764 552 HE2 TYR 78 HE2 TYR 78 -20.198 -10.780 -16.768 553 HH TYR 78 HH TYR 78 -19.701 -9.265 -18.500 554 H PHE 79 H PHE 79 -14.647 -11.413 -14.371 555 HA PHE 79 HA PHE 79 -16.288 -10.975 -12.033 556 HB2 PHE 79 HB2 PHE 79 -13.896 -9.638 -13.250 557 HB3 PHE 79 HB3 PHE 79 -14.852 -8.745 -12.070 558 HD1 PHE 79 HD1 PHE 79 -13.515 -12.274 -12.445 559 HD2 PHE 79 HD2 PHE 79 -14.058 -8.870 -9.870 560 HE1 PHE 79 HE1 PHE 79 -12.355 -13.470 -10.606 561 HE2 PHE 79 HE2 PHE 79 -12.902 -10.074 -8.038 562 HZ PHE 79 HZ PHE 79 -12.051 -12.372 -8.406 563 H THR 80 H THR 80 -17.970 -9.611 -11.790 564 HA THR 80 HA THR 80 -19.171 -8.425 -14.121 565 HB THR 80 HB THR 80 -19.913 -8.122 -11.193 566 HG1 THR 80 HG1 THR 80 -21.062 -9.786 -13.175 567 HG21 THR 80 HG21 THR 80 -22.033 -7.305 -11.945 568 HG22 THR 80 HG22 THR 80 -21.679 -7.726 -13.620 569 HG23 THR 80 HG23 THR 80 -20.820 -6.394 -12.846 570 H GLN 81 H GLN 81 -17.498 -7.227 -11.226 571 HA GLN 81 HA GLN 81 -16.134 -5.156 -12.428 572 HB2 GLN 81 HB2 GLN 81 -17.375 -3.121 -11.677 573 HB3 GLN 81 HB3 GLN 81 -18.213 -3.995 -12.957 574 HG2 GLN 81 HG2 GLN 81 -19.628 -5.102 -11.221 575 HG3 GLN 81 HG3 GLN 81 -18.806 -4.154 -9.979 576 HE21 GLN 81 HE21 GLN 81 -21.623 -4.187 -11.706 577 HE22 GLN 81 HE22 GLN 81 -21.946 -2.522 -11.763 578 H PHE 82 H PHE 82 -15.295 -3.515 -10.812 579 HA PHE 82 HA PHE 82 -15.520 -4.395 -8.053 580 HB2 PHE 82 HB2 PHE 82 -13.051 -4.501 -7.757 581 HB3 PHE 82 HB3 PHE 82 -13.653 -5.750 -8.849 582 HD1 PHE 82 HD1 PHE 82 -11.765 -2.580 -8.611 583 HD2 PHE 82 HD2 PHE 82 -13.189 -5.660 -11.245 584 HE1 PHE 82 HE1 PHE 82 -10.263 -1.746 -10.403 585 HE2 PHE 82 HE2 PHE 82 -11.689 -4.827 -13.034 586 HZ PHE 82 HZ PHE 82 -10.226 -2.870 -12.614 587 H LYS 83 H LYS 83 -14.960 -2.874 -6.517 588 HA LYS 83 HA LYS 83 -14.134 -0.189 -7.413 589 HB2 LYS 83 HB2 LYS 83 -16.566 -0.603 -5.629 590 HB3 LYS 83 HB3 LYS 83 -16.002 0.918 -6.327 591 HG2 LYS 83 HG2 LYS 83 -16.938 -1.433 -8.006 592 HG3 LYS 83 HG3 LYS 83 -18.016 -0.142 -7.488 593 HD2 LYS 83 HD2 LYS 83 -16.828 1.472 -8.776 594 HD3 LYS 83 HD3 LYS 83 -15.475 0.375 -9.055 595 HE2 LYS 83 HE2 LYS 83 -16.876 -1.109 -10.372 596 HE3 LYS 83 HE3 LYS 83 -18.309 -0.156 -10.016 597 HZ1 LYS 83 HZ1 LYS 83 -16.091 0.391 -11.836 598 HZ2 LYS 83 HZ2 LYS 83 -16.795 1.721 -11.049 599 HZ3 LYS 83 HZ3 LYS 83 -17.742 0.708 -12.027 600 H ALA 84 H ALA 84 -13.287 1.118 -5.636 601 HA ALA 84 HA ALA 84 -12.895 -0.272 -3.072 602 HB1 ALA 84 HB1 ALA 84 -10.480 0.193 -3.098 603 HB2 ALA 84 HB2 ALA 84 -10.619 0.819 -4.740 604 HB3 ALA 84 HB3 ALA 84 -10.943 -0.883 -4.416 605 H GLU 85 H GLU 85 -12.571 1.044 -1.314 606 HA GLU 85 HA GLU 85 -12.219 3.901 -1.651 607 HB2 GLU 85 HB2 GLU 85 -14.330 4.509 -0.523 608 HB3 GLU 85 HB3 GLU 85 -14.624 3.652 -2.041 609 HG2 GLU 85 HG2 GLU 85 -15.028 1.553 -0.826 610 HG3 GLU 85 HG3 GLU 85 -14.646 2.348 0.704 611 H VAL 86 H VAL 86 -12.028 5.013 0.463 612 HA VAL 86 HA VAL 86 -11.345 3.170 2.676 613 HB VAL 86 HB VAL 86 -9.449 4.622 3.279 614 HG11 VAL 86 HG11 VAL 86 -7.934 3.730 1.663 615 HG12 VAL 86 HG12 VAL 86 -9.141 3.777 0.378 616 HG13 VAL 86 HG13 VAL 86 -9.281 2.597 1.673 617 HG21 VAL 86 HG21 VAL 86 -9.965 5.960 0.595 618 HG22 VAL 86 HG22 VAL 86 -8.636 6.327 1.695 619 HG23 VAL 86 HG23 VAL 86 -10.297 6.701 2.161 620 H ARG 87 H ARG 87 -11.290 4.220 4.810 621 HA ARG 87 HA ARG 87 -12.949 6.654 4.953 622 HB2 ARG 87 HB2 ARG 87 -14.470 5.731 6.567 623 HB3 ARG 87 HB3 ARG 87 -14.408 4.652 5.198 624 HG2 ARG 87 HG2 ARG 87 -14.170 3.036 6.803 625 HG3 ARG 87 HG3 ARG 87 -12.467 3.469 6.662 626 HD2 ARG 87 HD2 ARG 87 -12.688 5.029 8.477 627 HD3 ARG 87 HD3 ARG 87 -14.408 4.704 8.626 628 HE ARG 87 HE ARG 87 -12.997 2.264 8.896 629 HH11 ARG 87 HH11 ARG 87 -13.519 5.246 10.679 630 HH12 ARG 87 HH12 ARG 87 -13.265 4.506 12.224 631 HH21 ARG 87 HH21 ARG 87 -12.662 1.344 10.933 632 HH22 ARG 87 HH22 ARG 87 -12.783 2.313 12.364 633 H GLY 88 H GLY 88 -12.817 7.862 6.858 634 HA2 GLY 88 HA2 GLY 88 -11.831 8.720 8.764 635 HA3 GLY 88 HA3 GLY 88 -10.996 7.183 8.970 636 H ALA 89 H ALA 89 -10.550 8.548 5.860 637 HA ALA 89 HA ALA 89 -8.290 10.219 6.476 638 HB1 ALA 89 HB1 ALA 89 -7.912 7.389 5.621 639 HB2 ALA 89 HB2 ALA 89 -6.960 8.370 6.735 640 HB3 ALA 89 HB3 ALA 89 -6.809 8.616 4.997 641 H GLU 90 H GLU 90 -7.119 10.855 4.431 642 HA GLU 90 HA GLU 90 -9.092 11.170 2.262 643 HB2 GLU 90 HB2 GLU 90 -7.779 13.153 1.591 644 HB3 GLU 90 HB3 GLU 90 -8.328 13.282 3.260 645 HG2 GLU 90 HG2 GLU 90 -6.102 12.494 4.044 646 HG3 GLU 90 HG3 GLU 90 -5.550 12.412 2.372 647 H ILE 91 H ILE 91 -8.601 10.670 0.169 648 HA ILE 91 HA ILE 91 -6.398 8.794 -0.202 649 HB ILE 91 HB ILE 91 -8.628 9.601 -2.118 650 HG12 ILE 91 HG12 ILE 91 -8.344 7.045 -0.493 651 HG13 ILE 91 HG13 ILE 91 -9.287 8.425 0.067 652 HG21 ILE 91 HG21 ILE 91 -7.971 7.605 -3.395 653 HG22 ILE 91 HG22 ILE 91 -6.713 7.232 -2.218 654 HG23 ILE 91 HG23 ILE 91 -6.575 8.670 -3.228 655 HD11 ILE 91 HD11 ILE 91 -10.860 6.985 -1.009 656 HD12 ILE 91 HD12 ILE 91 -9.782 6.706 -2.376 657 HD13 ILE 91 HD13 ILE 91 -10.550 8.280 -2.166 658 H GLU 92 H GLU 92 -4.527 9.273 -1.076 659 HA GLU 92 HA GLU 92 -4.022 11.900 -2.219 660 HB2 GLU 92 HB2 GLU 92 -2.202 9.517 -1.790 661 HB3 GLU 92 HB3 GLU 92 -1.679 11.103 -2.360 662 HG2 GLU 92 HG2 GLU 92 -2.492 12.128 -0.273 663 HG3 GLU 92 HG3 GLU 92 -3.030 10.546 0.296 664 H TYR 93 H TYR 93 -4.110 8.508 -3.230 665 HA TYR 93 HA TYR 93 -4.933 9.096 -5.857 666 HB2 TYR 93 HB2 TYR 93 -2.268 9.596 -5.648 667 HB3 TYR 93 HB3 TYR 93 -2.207 7.879 -6.028 668 HD1 TYR 93 HD1 TYR 93 -3.102 11.223 -7.251 669 HD2 TYR 93 HD2 TYR 93 -3.073 7.033 -8.182 670 HE1 TYR 93 HE1 TYR 93 -3.524 11.753 -9.634 671 HE2 TYR 93 HE2 TYR 93 -3.494 7.562 -10.570 672 HH TYR 93 HH TYR 93 -4.362 10.744 -11.618 673 H ALA 94 H ALA 94 -5.683 7.271 -6.869 674 HA ALA 94 HA ALA 94 -5.032 4.635 -5.725 675 HB1 ALA 94 HB1 ALA 94 -7.830 5.710 -6.165 676 HB2 ALA 94 HB2 ALA 94 -7.091 5.297 -4.617 677 HB3 ALA 94 HB3 ALA 94 -7.446 4.029 -5.789 678 H MET 95 H MET 95 -5.019 2.974 -7.190 679 HA MET 95 HA MET 95 -6.150 3.251 -9.827 680 HB2 MET 95 HB2 MET 95 -4.030 3.114 -11.070 681 HB3 MET 95 HB3 MET 95 -4.114 4.591 -10.106 682 HG2 MET 95 HG2 MET 95 -2.752 3.505 -8.338 683 HG3 MET 95 HG3 MET 95 -2.651 2.048 -9.329 684 HE1 MET 95 HE1 MET 95 -1.671 5.598 -8.663 685 HE2 MET 95 HE2 MET 95 -2.488 5.924 -10.188 686 HE3 MET 95 HE3 MET 95 -0.745 6.143 -10.071 687 H ALA 96 H ALA 96 -5.587 1.373 -11.235 688 HA ALA 96 HA ALA 96 -4.952 -1.061 -9.696 689 HB1 ALA 96 HB1 ALA 96 -7.500 -0.520 -10.317 690 HB2 ALA 96 HB2 ALA 96 -6.861 -2.162 -10.339 691 HB3 ALA 96 HB3 ALA 96 -7.009 -1.252 -11.843 692 H TYR 97 H TYR 97 -3.651 -2.506 -10.759 693 HA TYR 97 HA TYR 97 -2.758 -1.707 -13.472 694 HB2 TYR 97 HB2 TYR 97 -1.379 -3.245 -11.285 695 HB3 TYR 97 HB3 TYR 97 -0.751 -3.154 -12.928 696 HD1 TYR 97 HD1 TYR 97 -1.396 -1.290 -9.818 697 HD2 TYR 97 HD2 TYR 97 0.079 -1.042 -13.844 698 HE1 TYR 97 HE1 TYR 97 -0.351 0.903 -9.304 699 HE2 TYR 97 HE2 TYR 97 1.120 1.149 -13.329 700 HH TYR 97 HH TYR 97 1.597 2.268 -10.225 701 H SER 98 H SER 98 -3.816 -2.793 -14.989 702 HA SER 98 HA SER 98 -4.924 -5.400 -14.684 703 HB2 SER 98 HB2 SER 98 -4.320 -3.757 -17.143 704 HB3 SER 98 HB3 SER 98 -5.155 -5.310 -17.176 705 HG SER 98 HG SER 98 -6.879 -4.273 -16.605 706 H LYS 99 H LYS 99 -1.933 -4.157 -16.080 707 HA LYS 99 HA LYS 99 -0.867 -6.910 -16.143 708 HB2 LYS 99 HB2 LYS 99 -1.555 -6.130 -18.440 709 HB3 LYS 99 HB3 LYS 99 -0.360 -4.845 -18.299 710 HG2 LYS 99 HG2 LYS 99 0.747 -6.599 -19.485 711 HG3 LYS 99 HG3 LYS 99 1.367 -6.684 -17.836 712 HD2 LYS 99 HD2 LYS 99 0.869 -8.937 -18.468 713 HD3 LYS 99 HD3 LYS 99 -0.437 -8.461 -17.393 714 HE2 LYS 99 HE2 LYS 99 -1.899 -8.006 -19.297 715 HE3 LYS 99 HE3 LYS 99 -0.578 -8.330 -20.420 716 HZ1 LYS 99 HZ1 LYS 99 -0.492 -10.591 -19.669 717 HZ2 LYS 99 HZ2 LYS 99 -2.087 -10.229 -20.134 718 HZ3 LYS 99 HZ3 LYS 99 -1.672 -10.298 -18.487 719 H ALA 100 H ALA 100 1.086 -7.155 -15.295 720 HA ALA 100 HA ALA 100 2.514 -4.771 -14.340 721 HB1 ALA 100 HB1 ALA 100 3.331 -7.549 -13.606 722 HB2 ALA 100 HB2 ALA 100 1.850 -6.892 -12.908 723 HB3 ALA 100 HB3 ALA 100 3.388 -6.071 -12.646 724 H ALA 101 H ALA 101 4.488 -4.209 -15.077 725 HA ALA 101 HA ALA 101 5.409 -5.202 -17.542 726 HB1 ALA 101 HB1 ALA 101 6.135 -3.044 -17.227 727 HB2 ALA 101 HB2 ALA 101 7.588 -3.899 -16.720 728 HB3 ALA 101 HB3 ALA 101 6.456 -3.290 -15.512 729 H PHE 102 H PHE 102 6.045 -7.275 -17.739 730 HA PHE 102 HA PHE 102 8.067 -8.298 -15.836 731 HB2 PHE 102 HB2 PHE 102 5.914 -9.559 -15.855 732 HB3 PHE 102 HB3 PHE 102 6.160 -9.903 -17.567 733 HD1 PHE 102 HD1 PHE 102 7.621 -10.388 -14.171 734 HD2 PHE 102 HD2 PHE 102 7.612 -11.667 -18.272 735 HE1 PHE 102 HE1 PHE 102 9.041 -12.329 -13.570 736 HE2 PHE 102 HE2 PHE 102 9.033 -13.609 -17.670 737 HZ PHE 102 HZ PHE 102 9.747 -13.940 -15.320 738 H GLU 103 H GLU 103 10.007 -7.982 -16.713 739 HA GLU 103 HA GLU 103 11.722 -7.832 -18.210 740 HB2 GLU 103 HB2 GLU 103 11.508 -10.270 -17.679 741 HB3 GLU 103 HB3 GLU 103 10.620 -10.477 -19.190 742 HG2 GLU 103 HG2 GLU 103 12.544 -9.569 -20.447 743 HG3 GLU 103 HG3 GLU 103 13.431 -9.356 -18.937 744 H ARG 104 H ARG 104 9.700 -9.570 -20.605 745 HA ARG 104 HA ARG 104 10.317 -7.495 -22.563 746 HB2 ARG 104 HB2 ARG 104 9.085 -10.235 -22.844 747 HB3 ARG 104 HB3 ARG 104 9.384 -9.131 -24.193 748 HG2 ARG 104 HG2 ARG 104 11.768 -9.132 -23.739 749 HG3 ARG 104 HG3 ARG 104 11.527 -10.093 -22.275 750 HD2 ARG 104 HD2 ARG 104 12.259 -11.560 -24.079 751 HD3 ARG 104 HD3 ARG 104 10.586 -11.926 -23.672 752 HE ARG 104 HE ARG 104 10.709 -10.000 -25.781 753 HH11 ARG 104 HH11 ARG 104 11.138 -13.436 -25.171 754 HH12 ARG 104 HH12 ARG 104 10.742 -13.896 -26.793 755 HH21 ARG 104 HH21 ARG 104 10.201 -10.647 -27.888 756 HH22 ARG 104 HH22 ARG 104 10.215 -12.324 -28.321 757 H GLU 105 H GLU 105 7.851 -7.840 -20.402 758 HA GLU 105 HA GLU 105 5.827 -6.767 -22.275 759 HB2 GLU 105 HB2 GLU 105 5.366 -8.173 -19.636 760 HB3 GLU 105 HB3 GLU 105 4.117 -7.590 -20.734 761 HG2 GLU 105 HG2 GLU 105 5.107 -9.095 -22.521 762 HG3 GLU 105 HG3 GLU 105 6.142 -9.778 -21.273 763 H SER 106 H SER 106 4.846 -4.861 -21.841 764 HA SER 106 HA SER 106 6.088 -3.161 -19.852 765 HB2 SER 106 HB2 SER 106 4.872 -1.350 -20.900 766 HB3 SER 106 HB3 SER 106 5.585 -2.361 -22.156 767 HG SER 106 HG SER 106 3.505 -3.437 -22.234 768 H ASP 107 H ASP 107 4.779 -1.755 -18.453 769 HA ASP 107 HA ASP 107 2.703 -3.280 -17.058 770 HB2 ASP 107 HB2 ASP 107 4.519 -2.263 -15.732 771 HB3 ASP 107 HB3 ASP 107 4.055 -0.668 -16.325 772 H VAL 108 H VAL 108 0.629 -2.995 -17.665 773 HA VAL 108 HA VAL 108 -0.141 -0.407 -18.860 774 HB VAL 108 HB VAL 108 -1.571 -3.091 -18.928 775 HG11 VAL 108 HG11 VAL 108 -3.136 -1.186 -19.095 776 HG12 VAL 108 HG12 VAL 108 -3.002 -2.017 -20.645 777 HG13 VAL 108 HG13 VAL 108 -2.160 -0.490 -20.389 778 HG21 VAL 108 HG21 VAL 108 0.116 -1.602 -20.972 779 HG22 VAL 108 HG22 VAL 108 -0.921 -2.969 -21.380 780 HG23 VAL 108 HG23 VAL 108 0.438 -3.193 -20.279 781 HA PRO 109 HA PRO 109 -2.372 0.008 -14.826 782 HB2 PRO 109 HB2 PRO 109 -2.427 2.654 -14.628 783 HB3 PRO 109 HB3 PRO 109 -0.904 1.765 -14.400 784 HG2 PRO 109 HG2 PRO 109 -1.863 3.252 -16.805 785 HG3 PRO 109 HG3 PRO 109 -0.254 3.243 -16.050 786 HD2 PRO 109 HD2 PRO 109 -0.919 1.713 -18.257 787 HD3 PRO 109 HD3 PRO 109 0.386 1.303 -17.119 788 H LEU 110 H LEU 110 -4.501 0.744 -14.275 789 HA LEU 110 HA LEU 110 -6.259 1.175 -16.592 790 HB2 LEU 110 HB2 LEU 110 -6.934 0.367 -13.752 791 HB3 LEU 110 HB3 LEU 110 -8.121 0.621 -15.034 792 HG LEU 110 HG LEU 110 -5.842 -1.390 -15.167 793 HD11 LEU 110 HD11 LEU 110 -7.235 -2.371 -13.585 794 HD12 LEU 110 HD12 LEU 110 -7.958 -2.999 -15.059 795 HD13 LEU 110 HD13 LEU 110 -8.698 -1.634 -14.234 796 HD21 LEU 110 HD21 LEU 110 -6.320 -1.243 -17.417 797 HD22 LEU 110 HD22 LEU 110 -7.848 -0.419 -17.164 798 HD23 LEU 110 HD23 LEU 110 -7.767 -2.173 -17.049 799 H LYS 111 H LYS 111 -7.669 2.868 -16.777 800 HA LYS 111 HA LYS 111 -6.778 5.312 -15.606 801 HB2 LYS 111 HB2 LYS 111 -8.365 6.411 -17.056 802 HB3 LYS 111 HB3 LYS 111 -7.571 5.124 -17.962 803 HG2 LYS 111 HG2 LYS 111 -9.577 3.643 -17.498 804 HG3 LYS 111 HG3 LYS 111 -10.342 5.020 -16.720 805 HD2 LYS 111 HD2 LYS 111 -10.202 6.331 -18.788 806 HD3 LYS 111 HD3 LYS 111 -9.410 4.984 -19.605 807 HE2 LYS 111 HE2 LYS 111 -12.178 4.846 -18.372 808 HE3 LYS 111 HE3 LYS 111 -11.860 5.101 -20.087 809 HZ1 LYS 111 HZ1 LYS 111 -12.231 2.800 -19.761 810 HZ2 LYS 111 HZ2 LYS 111 -11.150 2.734 -18.452 811 HZ3 LYS 111 HZ3 LYS 111 -10.567 2.990 -20.029 812 H THR 112 H THR 112 -8.051 6.877 -14.541 813 HA THR 112 HA THR 112 -9.489 5.927 -12.280 814 HB THR 112 HB THR 112 -9.292 8.738 -13.424 815 HG1 THR 112 HG1 THR 112 -7.526 8.920 -12.175 816 HG21 THR 112 HG21 THR 112 -9.937 9.502 -11.217 817 HG22 THR 112 HG22 THR 112 -9.948 7.851 -10.597 818 HG23 THR 112 HG23 THR 112 -11.160 8.359 -11.775 819 H GLU 113 H GLU 113 -10.420 7.313 -15.387 820 HA GLU 113 HA GLU 113 -13.098 7.857 -14.994 821 HB2 GLU 113 HB2 GLU 113 -11.687 8.409 -16.987 822 HB3 GLU 113 HB3 GLU 113 -11.906 6.743 -17.524 823 HG2 GLU 113 HG2 GLU 113 -14.326 7.043 -17.571 824 HG3 GLU 113 HG3 GLU 113 -14.160 8.692 -16.963 825 H GLU 114 H GLU 114 -11.608 4.727 -15.095 826 HA GLU 114 HA GLU 114 -13.720 3.159 -16.128 827 HB2 GLU 114 HB2 GLU 114 -11.318 2.431 -15.680 828 HB3 GLU 114 HB3 GLU 114 -11.787 2.256 -13.985 829 HG2 GLU 114 HG2 GLU 114 -12.077 0.116 -14.915 830 HG3 GLU 114 HG3 GLU 114 -13.707 0.780 -14.874 831 H PHE 115 H PHE 115 -13.021 4.352 -12.908 832 HA PHE 115 HA PHE 115 -15.786 3.918 -12.028 833 HB2 PHE 115 HB2 PHE 115 -15.177 2.702 -9.964 834 HB3 PHE 115 HB3 PHE 115 -14.773 1.738 -11.376 835 HD1 PHE 115 HD1 PHE 115 -13.468 3.596 -8.529 836 HD2 PHE 115 HD2 PHE 115 -12.404 1.519 -12.125 837 HE1 PHE 115 HE1 PHE 115 -11.105 3.501 -7.770 838 HE2 PHE 115 HE2 PHE 115 -10.042 1.417 -11.373 839 HZ PHE 115 HZ PHE 115 -9.393 2.407 -9.194 840 H GLU 116 H GLU 116 -16.266 5.019 -9.953 841 HA GLU 116 HA GLU 116 -14.405 7.279 -9.484 842 HB2 GLU 116 HB2 GLU 116 -16.545 7.937 -10.508 843 HB3 GLU 116 HB3 GLU 116 -17.419 7.227 -9.149 844 HG2 GLU 116 HG2 GLU 116 -17.210 9.652 -8.808 845 HG3 GLU 116 HG3 GLU 116 -16.244 8.802 -7.604 846 H VAL 117 H VAL 117 -13.596 7.599 -7.524 847 HA VAL 117 HA VAL 117 -14.835 6.247 -5.196 848 HB VAL 117 HB VAL 117 -11.849 6.505 -5.747 849 HG11 VAL 117 HG11 VAL 117 -13.336 5.179 -3.456 850 HG12 VAL 117 HG12 VAL 117 -12.369 6.650 -3.346 851 HG13 VAL 117 HG13 VAL 117 -11.593 5.109 -3.714 852 HG21 VAL 117 HG21 VAL 117 -13.667 4.073 -5.717 853 HG22 VAL 117 HG22 VAL 117 -11.911 4.030 -5.897 854 HG23 VAL 117 HG23 VAL 117 -12.908 4.790 -7.138 855 H THR 118 H THR 118 -15.249 7.560 -3.548 856 HA THR 118 HA THR 118 -13.798 10.113 -3.296 857 HB THR 118 HB THR 118 -16.778 9.875 -2.845 858 HG1 THR 118 HG1 THR 118 -16.963 10.902 -4.848 859 HG21 THR 118 HG21 THR 118 -15.836 11.684 -1.613 860 HG22 THR 118 HG22 THR 118 -16.539 12.400 -3.062 861 HG23 THR 118 HG23 THR 118 -14.796 12.151 -2.957 862 H LYS 119 H LYS 119 -13.839 11.012 -1.168 863 HA LYS 119 HA LYS 119 -13.231 9.185 0.847 864 HB2 LYS 119 HB2 LYS 119 -13.267 11.103 2.382 865 HB3 LYS 119 HB3 LYS 119 -12.425 11.489 0.881 866 HG2 LYS 119 HG2 LYS 119 -14.728 12.399 0.070 867 HG3 LYS 119 HG3 LYS 119 -15.177 12.385 1.775 868 HD2 LYS 119 HD2 LYS 119 -12.607 13.711 0.869 869 HD3 LYS 119 HD3 LYS 119 -14.143 14.569 0.769 870 HE2 LYS 119 HE2 LYS 119 -13.291 15.173 2.890 871 HE3 LYS 119 HE3 LYS 119 -14.464 13.907 3.251 872 HZ1 LYS 119 HZ1 LYS 119 -12.841 12.415 3.754 873 HZ2 LYS 119 HZ2 LYS 119 -12.034 13.841 4.205 874 HZ3 LYS 119 HZ3 LYS 119 -11.700 13.109 2.709 875 H THR 120 H THR 120 -16.345 10.282 -0.193 876 HA THR 120 HA THR 120 -17.573 8.767 2.001 877 HB THR 120 HB THR 120 -17.540 11.093 2.734 878 HG1 THR 120 HG1 THR 120 -20.123 10.230 1.925 879 HG21 THR 120 HG21 THR 120 -17.546 12.125 0.463 880 HG22 THR 120 HG22 THR 120 -18.756 12.828 1.535 881 HG23 THR 120 HG23 THR 120 -19.243 11.674 0.293 882 H ALA 121 H ALA 121 -17.323 8.916 -1.227 883 HA ALA 121 HA ALA 121 -19.921 7.642 -1.624 884 HB1 ALA 121 HB1 ALA 121 -19.176 9.951 -3.410 885 HB2 ALA 121 HB2 ALA 121 -20.241 10.129 -2.017 886 HB3 ALA 121 HB3 ALA 121 -20.702 9.070 -3.350 887 H VAL 122 H VAL 122 -19.994 6.196 -3.228 888 HA VAL 122 HA VAL 122 -17.672 5.937 -5.019 889 HB VAL 122 HB VAL 122 -19.005 3.666 -3.495 890 HG11 VAL 122 HG11 VAL 122 -16.774 3.687 -5.549 891 HG12 VAL 122 HG12 VAL 122 -18.347 2.904 -5.704 892 HG13 VAL 122 HG13 VAL 122 -17.170 2.296 -4.537 893 HG21 VAL 122 HG21 VAL 122 -16.619 3.428 -2.603 894 HG22 VAL 122 HG22 VAL 122 -17.527 4.822 -2.015 895 HG23 VAL 122 HG23 VAL 122 -16.315 5.029 -3.279 896 H ALA 123 H ALA 123 -18.207 5.628 -7.106 897 HA ALA 123 HA ALA 123 -20.772 4.456 -7.791 898 HB1 ALA 123 HB1 ALA 123 -21.449 6.741 -7.659 899 HB2 ALA 123 HB2 ALA 123 -21.292 6.354 -9.372 900 HB3 ALA 123 HB3 ALA 123 -20.030 7.279 -8.558 901 H HIS 124 H HIS 124 -20.790 3.452 -9.746 902 HA HIS 124 HA HIS 124 -18.268 2.965 -11.010 903 HB2 HIS 124 HB2 HIS 124 -19.522 1.342 -12.386 904 HB3 HIS 124 HB3 HIS 124 -19.846 1.116 -10.665 905 HD2 HIS 124 HD2 HIS 124 -21.779 1.882 -13.932 906 HE1 HIS 124 HE1 HIS 124 -24.511 2.406 -10.755 907 HE2 HIS 124 HE2 HIS 124 -24.281 2.241 -13.281 908 H ARG 125 H ARG 125 -17.827 3.194 -13.223 909 HA ARG 125 HA ARG 125 -19.263 5.399 -14.559 910 HB2 ARG 125 HB2 ARG 125 -16.345 4.631 -14.590 911 HB3 ARG 125 HB3 ARG 125 -17.032 5.776 -15.733 912 HG2 ARG 125 HG2 ARG 125 -17.275 6.115 -12.725 913 HG3 ARG 125 HG3 ARG 125 -15.962 6.826 -13.667 914 HD2 ARG 125 HD2 ARG 125 -17.637 8.031 -15.060 915 HD3 ARG 125 HD3 ARG 125 -18.932 7.362 -14.076 916 HE ARG 125 HE ARG 125 -17.061 9.474 -13.304 917 HH11 ARG 125 HH11 ARG 125 -19.555 7.227 -12.249 918 HH12 ARG 125 HH12 ARG 125 -19.916 8.120 -10.811 919 HH21 ARG 125 HH21 ARG 125 -17.575 10.606 -11.416 920 HH22 ARG 125 HH22 ARG 125 -18.802 10.020 -10.344 921 HA PRO 126 HA PRO 126 -20.150 2.621 -17.934 922 HB2 PRO 126 HB2 PRO 126 -19.814 4.174 -20.157 923 HB3 PRO 126 HB3 PRO 126 -21.212 4.328 -19.069 924 HG2 PRO 126 HG2 PRO 126 -18.720 5.966 -19.181 925 HG3 PRO 126 HG3 PRO 126 -20.409 6.490 -19.003 926 HD2 PRO 126 HD2 PRO 126 -18.763 6.353 -16.873 927 HD3 PRO 126 HD3 PRO 126 -20.493 5.941 -16.738 928 H GLY 127 H GLY 127 -19.101 1.234 -19.375 929 HA2 GLY 127 HA2 GLY 127 -17.347 0.356 -20.653 930 HA3 GLY 127 HA3 GLY 127 -16.393 1.791 -20.284 931 H ALA 128 H ALA 128 -17.720 0.578 -17.412 932 HA ALA 128 HA ALA 128 -15.349 -0.019 -16.142 933 HB1 ALA 128 HB1 ALA 128 -17.820 0.211 -15.261 934 HB2 ALA 128 HB2 ALA 128 -16.623 -0.717 -14.357 935 HB3 ALA 128 HB3 ALA 128 -17.795 -1.548 -15.379 936 H PHE 129 H PHE 129 -14.182 -1.877 -15.724 937 HA PHE 129 HA PHE 129 -14.101 -3.833 -17.796 938 HB2 PHE 129 HB2 PHE 129 -12.693 -3.680 -15.129 939 HB3 PHE 129 HB3 PHE 129 -12.419 -4.976 -16.290 940 HD1 PHE 129 HD1 PHE 129 -11.509 -1.657 -15.350 941 HD2 PHE 129 HD2 PHE 129 -11.818 -4.292 -18.718 942 HE1 PHE 129 HE1 PHE 129 -9.962 -0.202 -16.627 943 HE2 PHE 129 HE2 PHE 129 -10.265 -2.845 -19.997 944 HZ PHE 129 HZ PHE 129 -9.337 -0.797 -18.951 945 H LYS 130 H LYS 130 -14.530 -6.010 -17.791 946 HA LYS 130 HA LYS 130 -16.152 -7.034 -15.554 947 HB2 LYS 130 HB2 LYS 130 -16.885 -7.324 -18.494 948 HB3 LYS 130 HB3 LYS 130 -17.719 -8.106 -17.143 949 HG2 LYS 130 HG2 LYS 130 -18.282 -5.897 -16.204 950 HG3 LYS 130 HG3 LYS 130 -17.449 -5.109 -17.546 951 HD2 LYS 130 HD2 LYS 130 -19.005 -6.201 -19.135 952 HD3 LYS 130 HD3 LYS 130 -19.862 -6.933 -17.776 953 HE2 LYS 130 HE2 LYS 130 -19.513 -3.947 -18.192 954 HE3 LYS 130 HE3 LYS 130 -20.975 -4.853 -18.583 955 HZ1 LYS 130 HZ1 LYS 130 -21.315 -3.961 -16.451 956 HZ2 LYS 130 HZ2 LYS 130 -19.762 -4.403 -15.918 957 HZ3 LYS 130 HZ3 LYS 130 -20.944 -5.594 -16.188 958 H ALA 131 H ALA 131 -15.253 -8.420 -18.731 959 HA ALA 131 HA ALA 131 -14.344 -10.898 -17.656 960 HB1 ALA 131 HB1 ALA 131 -13.244 -11.051 -20.015 961 HB2 ALA 131 HB2 ALA 131 -14.142 -9.568 -20.342 962 HB3 ALA 131 HB3 ALA 131 -15.003 -11.039 -19.891 963 H GLU 132 H GLU 132 -12.869 -7.803 -18.019 964 HA GLU 132 HA GLU 132 -10.125 -8.647 -18.055 965 HB2 GLU 132 HB2 GLU 132 -11.650 -6.085 -17.904 966 HB3 GLU 132 HB3 GLU 132 -9.998 -6.054 -17.313 967 HG2 GLU 132 HG2 GLU 132 -9.948 -5.458 -19.660 968 HG3 GLU 132 HG3 GLU 132 -9.292 -7.088 -19.525 969 H LEU 133 H LEU 133 -8.762 -8.960 -16.393 970 HA LEU 133 HA LEU 133 -9.778 -8.553 -13.639 971 HB2 LEU 133 HB2 LEU 133 -7.772 -10.639 -14.583 972 HB3 LEU 133 HB3 LEU 133 -8.389 -10.444 -12.946 973 HG LEU 133 HG LEU 133 -10.158 -11.060 -15.336 974 HD11 LEU 133 HD11 LEU 133 -9.112 -12.916 -13.180 975 HD12 LEU 133 HD12 LEU 133 -8.562 -12.896 -14.856 976 HD13 LEU 133 HD13 LEU 133 -10.222 -13.353 -14.479 977 HD21 LEU 133 HD21 LEU 133 -10.640 -11.178 -12.332 978 HD22 LEU 133 HD22 LEU 133 -11.803 -11.654 -13.571 979 HD23 LEU 133 HD23 LEU 133 -11.308 -9.969 -13.430 980 H SER 134 H SER 134 -8.282 -7.788 -12.044 981 HA SER 134 HA SER 134 -5.620 -6.977 -12.823 982 HB2 SER 134 HB2 SER 134 -6.950 -5.234 -13.923 983 HB3 SER 134 HB3 SER 134 -7.762 -4.884 -12.404 984 HG SER 134 HG SER 134 -5.977 -3.952 -11.661 985 H LYS 135 H LYS 135 -4.737 -5.389 -11.092 986 HA LYS 135 HA LYS 135 -5.603 -6.320 -8.420 987 HB2 LYS 135 HB2 LYS 135 -3.248 -5.880 -7.691 988 HB3 LYS 135 HB3 LYS 135 -3.367 -7.174 -8.883 989 HG2 LYS 135 HG2 LYS 135 -2.571 -5.766 -10.638 990 HG3 LYS 135 HG3 LYS 135 -2.790 -4.304 -9.681 991 HD2 LYS 135 HD2 LYS 135 -0.930 -6.403 -8.560 992 HD3 LYS 135 HD3 LYS 135 -0.378 -5.507 -9.969 993 HE2 LYS 135 HE2 LYS 135 0.400 -4.173 -8.215 994 HE3 LYS 135 HE3 LYS 135 -1.129 -3.386 -8.612 995 HZ1 LYS 135 HZ1 LYS 135 -0.869 -5.488 -6.534 996 HZ2 LYS 135 HZ2 LYS 135 -2.195 -4.463 -6.815 997 HZ3 LYS 135 HZ3 LYS 135 -0.745 -3.833 -6.194 998 H LEU 136 H LEU 136 -5.512 -4.795 -6.721 999 HA LEU 136 HA LEU 136 -5.776 -2.000 -7.661 1000 HB2 LEU 136 HB2 LEU 136 -7.100 -3.451 -5.374 1001 HB3 LEU 136 HB3 LEU 136 -7.240 -1.713 -5.646 1002 HG LEU 136 HG LEU 136 -7.966 -3.740 -7.775 1003 HD11 LEU 136 HD11 LEU 136 -10.345 -3.295 -7.057 1004 HD12 LEU 136 HD12 LEU 136 -9.705 -2.494 -5.622 1005 HD13 LEU 136 HD13 LEU 136 -9.410 -4.214 -5.876 1006 HD21 LEU 136 HD21 LEU 136 -7.543 -1.249 -8.309 1007 HD22 LEU 136 HD22 LEU 136 -8.967 -0.903 -7.348 1008 HD23 LEU 136 HD23 LEU 136 -9.105 -1.890 -8.803 1009 H VAL 137 H VAL 137 -4.810 -0.357 -6.642 1010 HA VAL 137 HA VAL 137 -3.342 -0.841 -4.167 1011 HB VAL 137 HB VAL 137 -1.683 -1.267 -5.946 1012 HG11 VAL 137 HG11 VAL 137 -2.822 0.210 -7.655 1013 HG12 VAL 137 HG12 VAL 137 -1.069 0.381 -7.574 1014 HG13 VAL 137 HG13 VAL 137 -2.108 1.596 -6.829 1015 HG21 VAL 137 HG21 VAL 137 -0.971 -0.152 -3.829 1016 HG22 VAL 137 HG22 VAL 137 -1.217 1.418 -4.596 1017 HG23 VAL 137 HG23 VAL 137 0.030 0.327 -5.200 1018 H ILE 138 H ILE 138 -3.992 0.652 -2.816 1019 HA ILE 138 HA ILE 138 -4.704 3.344 -3.827 1020 HB ILE 138 HB ILE 138 -5.980 1.845 -1.504 1021 HG12 ILE 138 HG12 ILE 138 -8.043 2.110 -3.140 1022 HG13 ILE 138 HG13 ILE 138 -6.807 2.277 -4.392 1023 HG21 ILE 138 HG21 ILE 138 -7.666 3.786 -1.731 1024 HG22 ILE 138 HG22 ILE 138 -6.423 4.600 -2.682 1025 HG23 ILE 138 HG23 ILE 138 -6.105 4.168 -1.004 1026 HD11 ILE 138 HD11 ILE 138 -6.063 0.072 -4.097 1027 HD12 ILE 138 HD12 ILE 138 -7.794 -0.074 -3.838 1028 HD13 ILE 138 HD13 ILE 138 -6.703 -0.033 -2.454 1029 H VAL 139 H VAL 139 -3.623 4.992 -2.994 1030 HA VAL 139 HA VAL 139 -2.155 4.626 -0.444 1031 HB VAL 139 HB VAL 139 -1.444 6.434 -2.795 1032 HG11 VAL 139 HG11 VAL 139 -0.824 7.354 -0.549 1033 HG12 VAL 139 HG12 VAL 139 0.582 6.971 -1.541 1034 HG13 VAL 139 HG13 VAL 139 0.101 5.884 -0.238 1035 HG21 VAL 139 HG21 VAL 139 -0.195 3.870 -1.747 1036 HG22 VAL 139 HG22 VAL 139 0.570 4.922 -2.937 1037 HG23 VAL 139 HG23 VAL 139 -0.947 4.110 -3.324 1038 H ALA 140 H ALA 140 -2.981 5.770 1.172 1039 HA ALA 140 HA ALA 140 -4.356 8.317 0.584 1040 HB1 ALA 140 HB1 ALA 140 -6.260 7.738 1.698 1041 HB2 ALA 140 HB2 ALA 140 -5.425 6.643 2.795 1042 HB3 ALA 140 HB3 ALA 140 -5.791 6.132 1.147 1043 H LYS 141 H LYS 141 -4.215 9.903 2.099 1044 HA LYS 141 HA LYS 141 -2.047 9.611 4.046 1045 HB2 LYS 141 HB2 LYS 141 -2.101 11.496 2.356 1046 HB3 LYS 141 HB3 LYS 141 -3.526 12.106 3.208 1047 HG2 LYS 141 HG2 LYS 141 -2.224 12.262 5.283 1048 HG3 LYS 141 HG3 LYS 141 -0.807 11.635 4.438 1049 HD2 LYS 141 HD2 LYS 141 -0.881 13.564 2.885 1050 HD3 LYS 141 HD3 LYS 141 -2.265 14.205 3.767 1051 HE2 LYS 141 HE2 LYS 141 -0.918 14.339 5.814 1052 HE3 LYS 141 HE3 LYS 141 0.468 13.681 4.944 1053 HZ1 LYS 141 HZ1 LYS 141 0.841 15.929 4.801 1054 HZ2 LYS 141 HZ2 LYS 141 -0.809 16.317 4.677 1055 HZ3 LYS 141 HZ3 LYS 141 0.014 15.648 3.348 1056 H ALA 142 H ALA 142 -2.468 9.447 6.168 1057 HA ALA 142 HA ALA 142 -5.082 9.191 7.172 1058 HB1 ALA 142 HB1 ALA 142 -3.438 8.073 8.411 1059 HB2 ALA 142 HB2 ALA 142 -3.872 9.436 9.444 1060 HB3 ALA 142 HB3 ALA 142 -2.394 9.492 8.484 1061 H SER 143 H SER 143 -6.404 10.523 8.321 1062 HA SER 143 HA SER 143 -5.566 13.303 8.793 1063 HB2 SER 143 HB2 SER 143 -7.576 14.195 7.740 1064 HB3 SER 143 HB3 SER 143 -6.644 13.263 6.574 1065 HG SER 143 HG SER 143 -9.160 12.895 7.447 1066 H ARG 144 H ARG 144 -7.073 14.493 10.168 1067 HA ARG 144 HA ARG 144 -8.037 12.790 12.316 1068 HB2 ARG 144 HB2 ARG 144 -6.657 14.863 12.709 1069 HB3 ARG 144 HB3 ARG 144 -8.037 15.812 12.154 1070 HG2 ARG 144 HG2 ARG 144 -8.232 15.777 14.525 1071 HG3 ARG 144 HG3 ARG 144 -9.404 14.588 13.960 1072 HD2 ARG 144 HD2 ARG 144 -8.147 13.642 15.819 1073 HD3 ARG 144 HD3 ARG 144 -7.699 12.790 14.348 1074 HE ARG 144 HE ARG 144 -5.943 15.000 14.825 1075 HH11 ARG 144 HH11 ARG 144 -6.603 11.719 15.901 1076 HH12 ARG 144 HH12 ARG 144 -4.978 11.438 16.430 1077 HH21 ARG 144 HH21 ARG 144 -3.835 14.588 15.529 1078 HH22 ARG 144 HH22 ARG 144 -3.423 13.055 16.219 1079 H THR 145 H THR 145 -10.090 12.181 12.554 1080 HA THR 145 HA THR 145 -12.236 13.857 11.435 1081 HB THR 145 HB THR 145 -12.143 10.816 11.428 1082 HG1 THR 145 HG1 THR 145 -11.009 11.271 9.702 1083 HG21 THR 145 HG21 THR 145 -14.195 12.773 10.342 1084 HG22 THR 145 HG22 THR 145 -14.419 11.696 11.719 1085 HG23 THR 145 HG23 THR 145 -14.229 11.025 10.099 1086 H GLU 146 H GLU 146 -13.453 14.574 13.027 1087 HA GLU 146 HA GLU 146 -14.325 12.850 15.181 1088 HB2 GLU 146 HB2 GLU 146 -12.088 13.736 15.928 1089 HB3 GLU 146 HB3 GLU 146 -12.792 15.355 15.901 1090 HG2 GLU 146 HG2 GLU 146 -12.934 14.475 18.166 1091 HG3 GLU 146 HG3 GLU 146 -14.551 14.571 17.484 1092 H LEU 147 H LEU 147 -16.171 13.622 16.248 1093 HA LEU 147 HA LEU 147 -18.153 14.761 16.463 1094 HB2 LEU 147 HB2 LEU 147 -16.329 17.073 15.761 1095 HB3 LEU 147 HB3 LEU 147 -18.030 17.285 16.159 1096 HG LEU 147 HG LEU 147 -16.099 15.832 17.986 1097 HD11 LEU 147 HD11 LEU 147 -16.059 17.953 19.297 1098 HD12 LEU 147 HD12 LEU 147 -16.926 18.749 17.985 1099 HD13 LEU 147 HD13 LEU 147 -15.300 18.123 17.715 1100 HD21 LEU 147 HD21 LEU 147 -17.895 16.518 19.670 1101 HD22 LEU 147 HD22 LEU 147 -18.405 15.318 18.484 1102 HD23 LEU 147 HD23 LEU 147 -18.883 17.004 18.292 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 17.038 7.944 5.762 2 H2 GLY 1 HT2 GLY 1 16.776 7.123 7.228 3 H3 GLY 1 HT3 GLY 1 18.282 7.021 6.449 4 HA2 GLY 1 HA2 GLY 1 18.631 9.400 6.799 5 HA3 GLY 1 HA3 GLY 1 17.097 9.455 7.668 6 H SER 2 H SER 2 18.364 10.198 9.504 7 HA SER 2 HA SER 2 20.393 8.670 10.747 8 HB2 SER 2 HB2 SER 2 20.010 10.072 12.701 9 HB3 SER 2 HB3 SER 2 19.974 11.050 11.240 10 HG SER 2 HG SER 2 17.925 10.311 12.986 11 H LYS 3 H LYS 3 16.938 8.297 10.713 12 HA LYS 3 HA LYS 3 17.180 5.945 12.439 13 HB2 LYS 3 HB2 LYS 3 15.180 6.566 13.744 14 HB3 LYS 3 HB3 LYS 3 16.484 7.736 13.965 15 HG2 LYS 3 HG2 LYS 3 15.421 9.232 12.299 16 HG3 LYS 3 HG3 LYS 3 14.114 8.065 12.086 17 HD2 LYS 3 HD2 LYS 3 13.515 8.294 14.465 18 HD3 LYS 3 HD3 LYS 3 14.817 9.463 14.685 19 HE2 LYS 3 HE2 LYS 3 13.765 10.957 13.028 20 HE3 LYS 3 HE3 LYS 3 12.464 9.790 12.801 21 HZ1 LYS 3 HZ1 LYS 3 13.099 11.368 15.222 22 HZ2 LYS 3 HZ2 LYS 3 12.099 9.994 15.277 23 HZ3 LYS 3 HZ3 LYS 3 11.653 11.338 14.338 24 H GLY 4 H GLY 4 15.504 4.403 12.188 25 HA2 GLY 4 HA2 GLY 4 14.001 4.670 9.649 26 HA3 GLY 4 HA3 GLY 4 14.681 3.154 10.235 27 H THR 5 H THR 5 12.718 2.078 10.248 28 HA THR 5 HA THR 5 11.064 2.579 12.579 29 HB THR 5 HB THR 5 9.947 3.904 10.829 30 HG1 THR 5 HG1 THR 5 8.405 1.581 11.228 31 HG21 THR 5 HG21 THR 5 9.785 1.263 9.347 32 HG22 THR 5 HG22 THR 5 10.683 2.692 8.836 33 HG23 THR 5 HG23 THR 5 8.921 2.729 8.881 34 H VAL 6 H VAL 6 9.268 0.782 12.620 35 HA VAL 6 HA VAL 6 10.571 -1.683 12.878 36 HB VAL 6 HB VAL 6 8.297 -2.667 13.074 37 HG11 VAL 6 HG11 VAL 6 7.718 -1.453 15.117 38 HG12 VAL 6 HG12 VAL 6 8.648 -0.054 14.580 39 HG13 VAL 6 HG13 VAL 6 9.473 -1.558 14.987 40 HG21 VAL 6 HG21 VAL 6 7.027 -1.348 11.495 41 HG22 VAL 6 HG22 VAL 6 7.462 0.153 12.310 42 HG23 VAL 6 HG23 VAL 6 6.376 -0.992 13.095 43 H SER 7 H SER 7 8.517 -0.492 10.282 44 HA SER 7 HA SER 7 8.181 -1.155 8.186 45 HB2 SER 7 HB2 SER 7 10.944 -2.348 8.512 46 HB3 SER 7 HB3 SER 7 10.112 -2.153 6.973 47 HG SER 7 HG SER 7 11.619 -0.408 8.134 48 H GLU 8 H GLU 8 6.849 -2.636 9.966 49 HA GLU 8 HA GLU 8 7.029 -5.343 8.861 50 HB2 GLU 8 HB2 GLU 8 6.032 -6.184 11.030 51 HB3 GLU 8 HB3 GLU 8 7.669 -5.544 11.169 52 HG2 GLU 8 HG2 GLU 8 6.719 -3.382 11.939 53 HG3 GLU 8 HG3 GLU 8 5.108 -4.073 11.895 54 HA PRO 9 HA PRO 9 2.862 -3.535 7.662 55 HB2 PRO 9 HB2 PRO 9 2.756 -4.700 5.196 56 HB3 PRO 9 HB3 PRO 9 3.547 -3.139 5.503 57 HG2 PRO 9 HG2 PRO 9 4.770 -5.851 5.254 58 HG3 PRO 9 HG3 PRO 9 5.301 -4.307 4.560 59 HD2 PRO 9 HD2 PRO 9 6.474 -5.311 6.768 60 HD3 PRO 9 HD3 PRO 9 6.229 -3.558 6.566 61 H THR 10 H THR 10 0.860 -4.615 7.426 62 HA THR 10 HA THR 10 0.937 -7.428 8.296 63 HB THR 10 HB THR 10 -1.259 -5.348 8.550 64 HG1 THR 10 HG1 THR 10 0.107 -4.784 10.067 65 HG21 THR 10 HG21 THR 10 -1.033 -8.220 9.493 66 HG22 THR 10 HG22 THR 10 -2.309 -7.505 8.506 67 HG23 THR 10 HG23 THR 10 -2.167 -7.075 10.210 68 H THR 11 H THR 11 0.209 -8.991 7.012 69 HA THR 11 HA THR 11 -1.153 -8.233 4.523 70 HB THR 11 HB THR 11 -0.483 -10.583 3.796 71 HG1 THR 11 HG1 THR 11 1.034 -11.600 4.993 72 HG21 THR 11 HG21 THR 11 0.793 -8.993 2.735 73 HG22 THR 11 HG22 THR 11 2.045 -9.807 3.666 74 HG23 THR 11 HG23 THR 11 1.387 -8.275 4.237 75 H VAL 12 H VAL 12 -3.035 -9.160 3.875 76 HA VAL 12 HA VAL 12 -4.345 -11.020 5.761 77 HB VAL 12 HB VAL 12 -5.668 -8.640 4.413 78 HG11 VAL 12 HG11 VAL 12 -6.779 -10.722 6.316 79 HG12 VAL 12 HG12 VAL 12 -7.227 -10.508 4.625 80 HG13 VAL 12 HG13 VAL 12 -7.634 -9.265 5.809 81 HG21 VAL 12 HG21 VAL 12 -5.377 -9.040 7.398 82 HG22 VAL 12 HG22 VAL 12 -5.679 -7.556 6.495 83 HG23 VAL 12 HG23 VAL 12 -4.081 -8.282 6.470 84 H ALA 13 H ALA 13 -5.145 -12.784 4.841 85 HA ALA 13 HA ALA 13 -5.385 -12.893 1.908 86 HB1 ALA 13 HB1 ALA 13 -5.115 -15.280 2.082 87 HB2 ALA 13 HB2 ALA 13 -5.264 -15.221 3.838 88 HB3 ALA 13 HB3 ALA 13 -3.843 -14.533 3.050 89 H PHE 14 H PHE 14 -7.328 -13.564 0.944 90 HA PHE 14 HA PHE 14 -9.539 -14.314 2.704 91 HB2 PHE 14 HB2 PHE 14 -11.018 -12.538 1.927 92 HB3 PHE 14 HB3 PHE 14 -9.581 -11.840 2.663 93 HD1 PHE 14 HD1 PHE 14 -11.535 -12.179 -0.390 94 HD2 PHE 14 HD2 PHE 14 -7.742 -10.921 1.185 95 HE1 PHE 14 HE1 PHE 14 -11.080 -10.919 -2.477 96 HE2 PHE 14 HE2 PHE 14 -7.297 -9.667 -0.920 97 HZ PHE 14 HZ PHE 14 -8.961 -9.663 -2.736 98 H ASP 15 H ASP 15 -11.463 -15.035 1.552 99 HA ASP 15 HA ASP 15 -10.716 -16.369 -0.952 100 HB2 ASP 15 HB2 ASP 15 -13.050 -16.902 0.908 101 HB3 ASP 15 HB3 ASP 15 -12.594 -17.857 -0.502 102 H VAL 16 H VAL 16 -11.508 -15.705 -2.816 103 HA VAL 16 HA VAL 16 -13.755 -13.816 -2.859 104 HB VAL 16 HB VAL 16 -11.800 -14.678 -5.034 105 HG11 VAL 16 HG11 VAL 16 -13.821 -14.086 -6.167 106 HG12 VAL 16 HG12 VAL 16 -12.830 -12.629 -6.228 107 HG13 VAL 16 HG13 VAL 16 -14.142 -12.757 -5.056 108 HG21 VAL 16 HG21 VAL 16 -10.777 -12.531 -4.743 109 HG22 VAL 16 HG22 VAL 16 -10.974 -13.194 -3.120 110 HG23 VAL 16 HG23 VAL 16 -12.096 -11.972 -3.716 111 H ARG 17 H ARG 17 -15.706 -14.646 -3.130 112 HA ARG 17 HA ARG 17 -15.969 -17.255 -4.487 113 HB2 ARG 17 HB2 ARG 17 -17.573 -16.129 -2.184 114 HB3 ARG 17 HB3 ARG 17 -17.936 -17.642 -3.016 115 HG2 ARG 17 HG2 ARG 17 -15.775 -18.584 -2.384 116 HG3 ARG 17 HG3 ARG 17 -15.262 -17.041 -1.689 117 HD2 ARG 17 HD2 ARG 17 -15.979 -18.581 0.074 118 HD3 ARG 17 HD3 ARG 17 -17.056 -17.192 -0.009 119 HE ARG 17 HE ARG 17 -18.015 -19.370 -1.620 120 HH11 ARG 17 HH11 ARG 17 -17.832 -18.267 1.710 121 HH12 ARG 17 HH12 ARG 17 -19.221 -19.172 2.213 122 HH21 ARG 17 HH21 ARG 17 -19.813 -20.540 -0.921 123 HH22 ARG 17 HH22 ARG 17 -20.335 -20.451 0.727 124 HA PRO 18 HA PRO 18 -18.373 -14.448 -7.231 125 HB2 PRO 18 HB2 PRO 18 -18.463 -15.970 -9.416 126 HB3 PRO 18 HB3 PRO 18 -16.961 -15.165 -8.919 127 HG2 PRO 18 HG2 PRO 18 -17.809 -17.992 -8.454 128 HG3 PRO 18 HG3 PRO 18 -16.263 -17.385 -9.076 129 HD2 PRO 18 HD2 PRO 18 -16.563 -18.078 -6.479 130 HD3 PRO 18 HD3 PRO 18 -15.511 -16.725 -6.968 131 H GLY 19 H GLY 19 -20.407 -14.682 -8.510 132 HA2 GLY 19 HA2 GLY 19 -22.243 -16.532 -8.851 133 HA3 GLY 19 HA3 GLY 19 -22.320 -16.412 -7.096 134 H GLY 20 H GLY 20 -21.629 -13.521 -8.936 135 HA2 GLY 20 HA2 GLY 20 -22.835 -11.637 -9.426 136 HA3 GLY 20 HA3 GLY 20 -24.291 -12.620 -9.345 137 H VAL 21 H VAL 21 -22.092 -12.459 -6.632 138 HA VAL 21 HA VAL 21 -24.070 -10.850 -5.124 139 HB VAL 21 HB VAL 21 -22.158 -12.965 -4.074 140 HG11 VAL 21 HG11 VAL 21 -23.373 -12.690 -1.939 141 HG12 VAL 21 HG12 VAL 21 -24.345 -11.403 -2.656 142 HG13 VAL 21 HG13 VAL 21 -22.611 -11.176 -2.432 143 HG21 VAL 21 HG21 VAL 21 -24.061 -13.901 -5.390 144 HG22 VAL 21 HG22 VAL 21 -25.187 -13.023 -4.357 145 HG23 VAL 21 HG23 VAL 21 -24.191 -14.309 -3.679 146 H VAL 22 H VAL 22 -23.424 -8.979 -4.358 147 HA VAL 22 HA VAL 22 -20.753 -8.031 -4.854 148 HB VAL 22 HB VAL 22 -23.046 -6.727 -3.333 149 HG11 VAL 22 HG11 VAL 22 -20.425 -5.622 -4.390 150 HG12 VAL 22 HG12 VAL 22 -20.976 -5.649 -2.715 151 HG13 VAL 22 HG13 VAL 22 -21.778 -4.606 -3.889 152 HG21 VAL 22 HG21 VAL 22 -23.577 -7.221 -5.710 153 HG22 VAL 22 HG22 VAL 22 -22.114 -6.368 -6.205 154 HG23 VAL 22 HG23 VAL 22 -23.430 -5.485 -5.431 155 H HIS 23 H HIS 23 -19.087 -8.371 -3.614 156 HA HIS 23 HA HIS 23 -19.503 -8.940 -0.734 157 HB2 HIS 23 HB2 HIS 23 -17.267 -9.864 -2.552 158 HB3 HIS 23 HB3 HIS 23 -17.376 -10.188 -0.824 159 HD2 HIS 23 HD2 HIS 23 -18.518 -11.793 -4.087 160 HE1 HIS 23 HE1 HIS 23 -21.018 -13.426 -1.107 161 HE2 HIS 23 HE2 HIS 23 -20.270 -13.640 -3.523 162 H SER 24 H SER 24 -18.427 -7.827 0.744 163 HA SER 24 HA SER 24 -16.532 -5.744 -0.177 164 HB2 SER 24 HB2 SER 24 -18.574 -5.571 2.047 165 HB3 SER 24 HB3 SER 24 -17.349 -4.352 1.700 166 HG SER 24 HG SER 24 -19.239 -5.312 -0.195 167 H PHE 25 H PHE 25 -14.599 -5.793 0.686 168 HA PHE 25 HA PHE 25 -14.173 -7.199 3.259 169 HB2 PHE 25 HB2 PHE 25 -12.383 -7.273 0.813 170 HB3 PHE 25 HB3 PHE 25 -11.962 -7.933 2.396 171 HD1 PHE 25 HD1 PHE 25 -14.107 -8.317 -0.570 172 HD2 PHE 25 HD2 PHE 25 -13.065 -9.928 3.271 173 HE1 PHE 25 HE1 PHE 25 -15.314 -10.410 -1.119 174 HE2 PHE 25 HE2 PHE 25 -14.271 -12.025 2.720 175 HZ PHE 25 HZ PHE 25 -15.397 -12.265 0.523 176 H SER 26 H SER 26 -12.669 -6.292 4.653 177 HA SER 26 HA SER 26 -11.220 -3.899 3.864 178 HB2 SER 26 HB2 SER 26 -12.280 -2.438 5.473 179 HB3 SER 26 HB3 SER 26 -13.498 -3.094 4.387 180 HG SER 26 HG SER 26 -13.536 -3.192 6.969 181 H HIS 27 H HIS 27 -9.916 -3.016 5.650 182 HA HIS 27 HA HIS 27 -9.397 -4.783 7.902 183 HB2 HIS 27 HB2 HIS 27 -8.070 -5.753 6.020 184 HB3 HIS 27 HB3 HIS 27 -7.191 -4.226 5.902 185 HD2 HIS 27 HD2 HIS 27 -7.601 -7.186 8.510 186 HE1 HIS 27 HE1 HIS 27 -4.178 -4.941 9.542 187 HE2 HIS 27 HE2 HIS 27 -5.536 -7.016 10.095 188 H ASN 28 H ASN 28 -8.110 -3.865 9.531 189 HA ASN 28 HA ASN 28 -7.473 -1.003 9.265 190 HB2 ASN 28 HB2 ASN 28 -8.502 -0.582 11.473 191 HB3 ASN 28 HB3 ASN 28 -9.683 -1.101 10.269 192 HD21 ASN 28 HD21 ASN 28 -11.180 -2.197 11.619 193 HD22 ASN 28 HD22 ASN 28 -10.771 -3.530 12.585 194 H VAL 29 H VAL 29 -6.201 -0.198 11.153 195 HA VAL 29 HA VAL 29 -4.377 -2.278 12.210 196 HB VAL 29 HB VAL 29 -2.551 -0.589 12.065 197 HG11 VAL 29 HG11 VAL 29 -4.019 -1.282 9.506 198 HG12 VAL 29 HG12 VAL 29 -2.749 -2.220 10.289 199 HG13 VAL 29 HG13 VAL 29 -2.368 -0.662 9.554 200 HG21 VAL 29 HG21 VAL 29 -4.398 1.349 11.943 201 HG22 VAL 29 HG22 VAL 29 -4.277 1.079 10.213 202 HG23 VAL 29 HG23 VAL 29 -2.847 1.550 11.132 203 H GLY 30 H GLY 30 -3.370 -1.800 14.276 204 HA2 GLY 30 HA2 GLY 30 -5.207 -0.972 16.211 205 HA3 GLY 30 HA3 GLY 30 -3.485 -1.202 16.501 206 HA PRO 31 HA PRO 31 -2.665 3.253 16.639 207 HB2 PRO 31 HB2 PRO 31 -1.557 3.427 13.873 208 HB3 PRO 31 HB3 PRO 31 -0.818 3.900 15.418 209 HG2 PRO 31 HG2 PRO 31 0.021 1.736 14.195 210 HG3 PRO 31 HG3 PRO 31 -0.225 1.720 15.955 211 HD2 PRO 31 HD2 PRO 31 -2.022 0.602 13.806 212 HD3 PRO 31 HD3 PRO 31 -1.533 -0.127 15.360 213 H GLY 32 H GLY 32 -3.737 2.343 13.400 214 HA2 GLY 32 HA2 GLY 32 -5.355 4.764 13.078 215 HA3 GLY 32 HA3 GLY 32 -5.016 3.563 11.834 216 H ASP 33 H ASP 33 -6.633 3.694 15.046 217 HA ASP 33 HA ASP 33 -8.405 1.542 14.563 218 HB2 ASP 33 HB2 ASP 33 -8.567 3.887 16.463 219 HB3 ASP 33 HB3 ASP 33 -9.782 2.612 16.417 220 H LYS 34 H LYS 34 -8.644 4.984 13.872 221 HA LYS 34 HA LYS 34 -11.393 4.733 12.905 222 HB2 LYS 34 HB2 LYS 34 -9.566 7.145 13.035 223 HB3 LYS 34 HB3 LYS 34 -11.269 7.172 12.575 224 HG2 LYS 34 HG2 LYS 34 -10.261 6.175 15.266 225 HG3 LYS 34 HG3 LYS 34 -10.851 7.813 14.982 226 HD2 LYS 34 HD2 LYS 34 -13.029 6.849 14.220 227 HD3 LYS 34 HD3 LYS 34 -12.433 5.244 14.648 228 HE2 LYS 34 HE2 LYS 34 -12.116 5.968 16.982 229 HE3 LYS 34 HE3 LYS 34 -12.717 7.573 16.568 230 HZ1 LYS 34 HZ1 LYS 34 -14.310 5.763 17.526 231 HZ2 LYS 34 HZ2 LYS 34 -14.361 5.236 15.911 232 HZ3 LYS 34 HZ3 LYS 34 -14.841 6.817 16.310 233 H TYR 35 H TYR 35 -8.389 4.149 11.569 234 HA TYR 35 HA TYR 35 -9.193 5.052 8.866 235 HB2 TYR 35 HB2 TYR 35 -6.458 4.352 9.961 236 HB3 TYR 35 HB3 TYR 35 -6.788 4.797 8.286 237 HD1 TYR 35 HD1 TYR 35 -6.512 5.997 11.738 238 HD2 TYR 35 HD2 TYR 35 -7.518 7.085 7.707 239 HE1 TYR 35 HE1 TYR 35 -6.381 8.395 12.354 240 HE2 TYR 35 HE2 TYR 35 -7.385 9.482 8.323 241 HH TYR 35 HH TYR 35 -5.876 10.681 10.730 242 H THR 36 H THR 36 -9.593 3.598 7.282 243 HA THR 36 HA THR 36 -8.526 0.905 7.411 244 HB THR 36 HB THR 36 -10.478 0.674 8.866 245 HG1 THR 36 HG1 THR 36 -10.478 -1.173 7.901 246 HG21 THR 36 HG21 THR 36 -11.735 2.607 7.765 247 HG22 THR 36 HG22 THR 36 -12.701 1.192 8.182 248 HG23 THR 36 HG23 THR 36 -12.206 1.460 6.511 249 H CYS 37 H CYS 37 -9.052 -0.388 5.516 250 HA CYS 37 HA CYS 37 -9.667 1.270 3.135 251 HB2 CYS 37 HB2 CYS 37 -7.873 -1.166 3.346 252 HB3 CYS 37 HB3 CYS 37 -8.272 -0.329 1.846 253 H MET 38 H MET 38 -11.073 0.437 1.610 254 HA MET 38 HA MET 38 -12.449 -2.084 2.306 255 HB2 MET 38 HB2 MET 38 -13.713 0.505 1.393 256 HB3 MET 38 HB3 MET 38 -14.558 -1.033 1.553 257 HG2 MET 38 HG2 MET 38 -14.058 -1.130 3.930 258 HG3 MET 38 HG3 MET 38 -13.090 0.341 3.817 259 HE1 MET 38 HE1 MET 38 -17.634 -0.126 3.501 260 HE2 MET 38 HE2 MET 38 -16.415 -1.373 3.753 261 HE3 MET 38 HE3 MET 38 -16.595 -0.642 2.161 262 H PHE 39 H PHE 39 -13.182 -3.319 0.672 263 HA PHE 39 HA PHE 39 -12.679 -2.484 -2.116 264 HB2 PHE 39 HB2 PHE 39 -10.703 -3.777 -1.321 265 HB3 PHE 39 HB3 PHE 39 -11.763 -5.125 -0.927 266 HD1 PHE 39 HD1 PHE 39 -10.941 -2.841 -3.796 267 HD2 PHE 39 HD2 PHE 39 -12.104 -6.786 -2.560 268 HE1 PHE 39 HE1 PHE 39 -10.789 -3.624 -6.141 269 HE2 PHE 39 HE2 PHE 39 -11.954 -7.565 -4.908 270 HZ PHE 39 HZ PHE 39 -11.295 -5.985 -6.699 271 H THR 40 H THR 40 -14.594 -2.554 -3.033 272 HA THR 40 HA THR 40 -16.430 -4.795 -2.414 273 HB THR 40 HB THR 40 -17.101 -2.025 -3.480 274 HG1 THR 40 HG1 THR 40 -17.596 -1.536 -1.462 275 HG21 THR 40 HG21 THR 40 -19.430 -2.689 -3.164 276 HG22 THR 40 HG22 THR 40 -18.927 -4.255 -2.528 277 HG23 THR 40 HG23 THR 40 -18.636 -3.858 -4.221 278 H TYR 41 H TYR 41 -16.917 -6.165 -4.040 279 HA TYR 41 HA TYR 41 -16.560 -5.320 -6.814 280 HB2 TYR 41 HB2 TYR 41 -15.077 -7.179 -7.369 281 HB3 TYR 41 HB3 TYR 41 -14.345 -6.164 -6.128 282 HD1 TYR 41 HD1 TYR 41 -15.862 -9.431 -6.862 283 HD2 TYR 41 HD2 TYR 41 -14.164 -6.953 -3.792 284 HE1 TYR 41 HE1 TYR 41 -15.672 -11.403 -5.375 285 HE2 TYR 41 HE2 TYR 41 -13.973 -8.929 -2.306 286 HH TYR 41 HH TYR 41 -15.569 -11.797 -2.851 287 H ALA 42 H ALA 42 -17.315 -6.883 -8.368 288 HA ALA 42 HA ALA 42 -19.272 -8.840 -7.332 289 HB1 ALA 42 HB1 ALA 42 -20.688 -8.116 -9.392 290 HB2 ALA 42 HB2 ALA 42 -19.742 -6.630 -9.312 291 HB3 ALA 42 HB3 ALA 42 -20.736 -7.117 -7.939 292 H SER 43 H SER 43 -19.122 -10.803 -8.291 293 HA SER 43 HA SER 43 -17.732 -11.022 -10.892 294 HB2 SER 43 HB2 SER 43 -17.070 -12.636 -8.425 295 HB3 SER 43 HB3 SER 43 -16.393 -12.884 -10.032 296 HG SER 43 HG SER 43 -15.576 -11.228 -8.149 297 H GLN 44 H GLN 44 -18.065 -12.988 -12.011 298 HA GLN 44 HA GLN 44 -20.365 -14.599 -11.094 299 HB2 GLN 44 HB2 GLN 44 -21.015 -13.036 -12.951 300 HB3 GLN 44 HB3 GLN 44 -19.817 -13.830 -13.975 301 HG2 GLN 44 HG2 GLN 44 -22.029 -14.807 -14.392 302 HG3 GLN 44 HG3 GLN 44 -20.985 -16.003 -13.624 303 HE21 GLN 44 HE21 GLN 44 -22.116 -17.150 -12.054 304 HE22 GLN 44 HE22 GLN 44 -23.314 -16.503 -11.041 305 H GLY 45 H GLY 45 -19.974 -16.703 -11.014 306 HA2 GLY 45 HA2 GLY 45 -18.702 -18.406 -12.711 307 HA3 GLY 45 HA3 GLY 45 -17.383 -17.758 -11.733 308 H GLY 46 H GLY 46 -17.538 -20.327 -11.375 309 HA2 GLY 46 HA2 GLY 46 -19.138 -20.739 -8.910 310 HA3 GLY 46 HA3 GLY 46 -18.914 -22.008 -10.112 311 H THR 47 H THR 47 -16.081 -20.135 -9.672 312 HA THR 47 HA THR 47 -14.993 -22.094 -7.725 313 HB THR 47 HB THR 47 -13.540 -20.952 -10.132 314 HG1 THR 47 HG1 THR 47 -14.583 -23.534 -9.578 315 HG21 THR 47 HG21 THR 47 -11.776 -22.557 -9.526 316 HG22 THR 47 HG22 THR 47 -12.713 -23.079 -8.127 317 HG23 THR 47 HG23 THR 47 -12.070 -21.438 -8.195 318 H ASN 48 H ASN 48 -14.035 -21.254 -5.990 319 HA ASN 48 HA ASN 48 -13.763 -18.388 -5.811 320 HB2 ASN 48 HB2 ASN 48 -13.416 -18.722 -3.433 321 HB3 ASN 48 HB3 ASN 48 -14.790 -19.698 -3.954 322 HD21 ASN 48 HD21 ASN 48 -13.233 -20.297 -1.582 323 HD22 ASN 48 HD22 ASN 48 -12.457 -21.786 -1.834 324 H GLU 49 H GLU 49 -11.706 -17.703 -4.358 325 HA GLU 49 HA GLU 49 -9.284 -19.084 -5.057 326 HB2 GLU 49 HB2 GLU 49 -9.963 -17.755 -7.097 327 HB3 GLU 49 HB3 GLU 49 -9.671 -16.303 -6.144 328 HG2 GLU 49 HG2 GLU 49 -7.692 -16.851 -7.441 329 HG3 GLU 49 HG3 GLU 49 -7.354 -17.061 -5.725 330 H GLN 50 H GLN 50 -7.439 -18.268 -4.031 331 HA GLN 50 HA GLN 50 -8.021 -16.575 -1.699 332 HB2 GLN 50 HB2 GLN 50 -5.773 -18.509 -2.262 333 HB3 GLN 50 HB3 GLN 50 -5.840 -17.467 -0.839 334 HG2 GLN 50 HG2 GLN 50 -8.022 -18.456 -0.229 335 HG3 GLN 50 HG3 GLN 50 -7.922 -19.523 -1.631 336 HE21 GLN 50 HE21 GLN 50 -7.630 -21.544 -0.593 337 HE22 GLN 50 HE22 GLN 50 -6.331 -21.885 0.444 338 H TRP 51 H TRP 51 -7.408 -14.568 -1.709 339 HA TRP 51 HA TRP 51 -5.211 -13.667 -3.469 340 HB2 TRP 51 HB2 TRP 51 -7.717 -12.272 -2.546 341 HB3 TRP 51 HB3 TRP 51 -6.361 -11.402 -3.255 342 HD1 TRP 51 HD1 TRP 51 -8.453 -14.547 -4.204 343 HE1 TRP 51 HE1 TRP 51 -8.911 -14.437 -6.750 344 HE3 TRP 51 HE3 TRP 51 -6.002 -10.218 -5.364 345 HZ2 TRP 51 HZ2 TRP 51 -8.313 -12.724 -8.981 346 HZ3 TRP 51 HZ3 TRP 51 -5.961 -9.366 -7.691 347 HH2 TRP 51 HH2 TRP 51 -7.107 -10.602 -9.506 348 H GLN 52 H GLN 52 -3.710 -12.154 -2.664 349 HA GLN 52 HA GLN 52 -3.544 -12.072 0.285 350 HB2 GLN 52 HB2 GLN 52 -1.365 -11.464 -1.749 351 HB3 GLN 52 HB3 GLN 52 -1.181 -11.487 0.001 352 HG2 GLN 52 HG2 GLN 52 -1.997 -13.887 -1.678 353 HG3 GLN 52 HG3 GLN 52 -0.389 -13.612 -1.017 354 HE21 GLN 52 HE21 GLN 52 -3.115 -15.383 -0.414 355 HE22 GLN 52 HE22 GLN 52 -3.017 -15.495 1.278 356 H MET 53 H MET 53 -3.293 -10.188 1.371 357 HA MET 53 HA MET 53 -3.643 -7.676 -0.155 358 HB2 MET 53 HB2 MET 53 -4.838 -8.368 2.542 359 HB3 MET 53 HB3 MET 53 -4.997 -6.828 1.697 360 HG2 MET 53 HG2 MET 53 -6.184 -7.945 -0.147 361 HG3 MET 53 HG3 MET 53 -5.974 -9.498 0.645 362 HE1 MET 53 HE1 MET 53 -8.398 -6.252 0.560 363 HE2 MET 53 HE2 MET 53 -6.833 -5.942 1.303 364 HE3 MET 53 HE3 MET 53 -8.288 -5.925 2.296 365 H SER 54 H SER 54 -2.459 -5.950 0.609 366 HA SER 54 HA SER 54 -0.759 -6.414 2.969 367 HB2 SER 54 HB2 SER 54 0.215 -5.454 0.276 368 HB3 SER 54 HB3 SER 54 1.156 -5.391 1.763 369 HG SER 54 HG SER 54 1.453 -7.484 1.644 370 H LEU 55 H LEU 55 -0.584 -4.749 4.284 371 HA LEU 55 HA LEU 55 -1.304 -2.069 3.314 372 HB2 LEU 55 HB2 LEU 55 -2.656 -1.655 5.335 373 HB3 LEU 55 HB3 LEU 55 -3.364 -2.873 4.284 374 HG LEU 55 HG LEU 55 -1.522 -4.023 6.357 375 HD11 LEU 55 HD11 LEU 55 -2.982 -3.740 8.252 376 HD12 LEU 55 HD12 LEU 55 -4.149 -2.840 7.286 377 HD13 LEU 55 HD13 LEU 55 -2.566 -2.144 7.634 378 HD21 LEU 55 HD21 LEU 55 -2.971 -5.427 4.929 379 HD22 LEU 55 HD22 LEU 55 -4.400 -4.608 5.557 380 HD23 LEU 55 HD23 LEU 55 -3.420 -5.610 6.625 381 H GLY 56 H GLY 56 -0.177 -0.447 4.155 382 HA2 GLY 56 HA2 GLY 56 1.451 -0.840 6.546 383 HA3 GLY 56 HA3 GLY 56 2.314 -0.526 5.040 384 H THR 57 H THR 57 2.367 1.139 7.334 385 HA THR 57 HA THR 57 1.160 3.603 6.233 386 HB THR 57 HB THR 57 0.651 4.360 8.519 387 HG1 THR 57 HG1 THR 57 1.397 1.729 9.264 388 HG21 THR 57 HG21 THR 57 -1.018 3.050 7.138 389 HG22 THR 57 HG22 THR 57 -1.291 2.991 8.879 390 HG23 THR 57 HG23 THR 57 -0.546 1.621 8.057 391 H SER 58 H SER 58 2.210 5.570 6.919 392 HA SER 58 HA SER 58 5.041 5.458 6.784 393 HB2 SER 58 HB2 SER 58 3.850 7.397 5.943 394 HB3 SER 58 HB3 SER 58 3.171 7.712 7.539 395 HG SER 58 HG SER 58 5.012 8.580 8.123 396 H GLU 59 H GLU 59 6.585 6.071 8.400 397 HA GLU 59 HA GLU 59 6.251 4.853 10.901 398 HB2 GLU 59 HB2 GLU 59 8.346 5.982 11.552 399 HB3 GLU 59 HB3 GLU 59 8.466 5.310 9.927 400 HG2 GLU 59 HG2 GLU 59 7.934 7.548 8.975 401 HG3 GLU 59 HG3 GLU 59 7.877 8.217 10.603 402 H ASP 60 H ASP 60 5.516 8.112 9.873 403 HA ASP 60 HA ASP 60 4.797 8.910 12.613 404 HB2 ASP 60 HB2 ASP 60 4.934 10.548 10.072 405 HB3 ASP 60 HB3 ASP 60 4.532 11.175 11.672 406 H HIS 61 H HIS 61 3.331 7.268 10.174 407 HA HIS 61 HA HIS 61 1.188 6.789 9.588 408 HB2 HIS 61 HB2 HIS 61 0.606 8.188 12.209 409 HB3 HIS 61 HB3 HIS 61 -0.591 7.289 11.268 410 HD2 HIS 61 HD2 HIS 61 2.921 6.446 12.978 411 HE1 HIS 61 HE1 HIS 61 0.588 2.933 12.777 412 HE2 HIS 61 HE2 HIS 61 2.782 3.913 13.598 413 H GLN 62 H GLN 62 2.453 9.243 8.661 414 HA GLN 62 HA GLN 62 0.410 11.257 8.434 415 HB2 GLN 62 HB2 GLN 62 1.990 12.371 6.894 416 HB3 GLN 62 HB3 GLN 62 2.760 11.927 8.418 417 HG2 GLN 62 HG2 GLN 62 3.722 9.931 7.381 418 HG3 GLN 62 HG3 GLN 62 2.910 10.311 5.865 419 HE21 GLN 62 HE21 GLN 62 3.679 12.271 4.685 420 HE22 GLN 62 HE22 GLN 62 5.231 12.886 4.988 421 H HIS 63 H HIS 63 1.379 8.429 6.625 422 HA HIS 63 HA HIS 63 -0.836 8.929 4.760 423 HB2 HIS 63 HB2 HIS 63 1.923 8.008 3.937 424 HB3 HIS 63 HB3 HIS 63 0.502 7.970 2.893 425 HD2 HIS 63 HD2 HIS 63 3.295 10.379 3.679 426 HE1 HIS 63 HE1 HIS 63 0.106 12.769 2.298 427 HE2 HIS 63 HE2 HIS 63 2.591 12.743 2.829 428 H PHE 64 H PHE 64 -1.899 7.145 3.973 429 HA PHE 64 HA PHE 64 -1.238 4.532 5.214 430 HB2 PHE 64 HB2 PHE 64 -3.966 5.778 4.768 431 HB3 PHE 64 HB3 PHE 64 -3.703 4.108 5.278 432 HD1 PHE 64 HD1 PHE 64 -3.236 7.669 6.246 433 HD2 PHE 64 HD2 PHE 64 -3.084 3.576 7.535 434 HE1 PHE 64 HE1 PHE 64 -3.037 8.415 8.604 435 HE2 PHE 64 HE2 PHE 64 -2.884 4.326 9.889 436 HZ PHE 64 HZ PHE 64 -2.861 6.746 10.422 437 H THR 65 H THR 65 -1.305 2.739 3.864 438 HA THR 65 HA THR 65 -2.432 3.083 1.168 439 HB THR 65 HB THR 65 -0.074 3.618 0.904 440 HG1 THR 65 HG1 THR 65 -0.936 2.509 -0.786 441 HG21 THR 65 HG21 THR 65 0.880 2.482 2.824 442 HG22 THR 65 HG22 THR 65 1.644 1.854 1.364 443 HG23 THR 65 HG23 THR 65 0.399 0.911 2.184 444 H CYS 66 H CYS 66 -3.327 1.337 0.265 445 HA CYS 66 HA CYS 66 -2.982 -1.282 1.565 446 HB2 CYS 66 HB2 CYS 66 -5.632 -0.047 0.769 447 HB3 CYS 66 HB3 CYS 66 -5.403 -1.716 1.302 448 H THR 67 H THR 67 -2.776 -2.984 0.172 449 HA THR 67 HA THR 67 -3.375 -2.531 -2.691 450 HB THR 67 HB THR 67 -0.829 -3.785 -1.627 451 HG1 THR 67 HG1 THR 67 -0.983 -1.487 -1.413 452 HG21 THR 67 HG21 THR 67 -1.943 -4.438 -3.991 453 HG22 THR 67 HG22 THR 67 -0.205 -4.228 -3.814 454 HG23 THR 67 HG23 THR 67 -1.185 -2.920 -4.468 455 H ILE 68 H ILE 68 -4.376 -4.182 -3.703 456 HA ILE 68 HA ILE 68 -4.495 -6.831 -2.349 457 HB ILE 68 HB ILE 68 -6.779 -5.470 -3.848 458 HG12 ILE 68 HG12 ILE 68 -6.617 -6.072 -0.870 459 HG13 ILE 68 HG13 ILE 68 -6.133 -4.514 -1.536 460 HG21 ILE 68 HG21 ILE 68 -6.687 -7.995 -3.926 461 HG22 ILE 68 HG22 ILE 68 -8.122 -7.359 -3.122 462 HG23 ILE 68 HG23 ILE 68 -6.787 -8.001 -2.165 463 HD11 ILE 68 HD11 ILE 68 -8.488 -4.485 -0.745 464 HD12 ILE 68 HD12 ILE 68 -8.872 -5.779 -1.881 465 HD13 ILE 68 HD13 ILE 68 -8.377 -4.196 -2.482 466 H TRP 69 H TRP 69 -3.782 -8.489 -3.628 467 HA TRP 69 HA TRP 69 -4.363 -8.520 -6.479 468 HB2 TRP 69 HB2 TRP 69 -2.095 -8.628 -7.312 469 HB3 TRP 69 HB3 TRP 69 -2.254 -7.161 -6.357 470 HD1 TRP 69 HD1 TRP 69 -0.422 -10.443 -6.518 471 HE1 TRP 69 HE1 TRP 69 1.317 -10.554 -4.620 472 HE3 TRP 69 HE3 TRP 69 -1.811 -6.353 -3.846 473 HZ2 TRP 69 HZ2 TRP 69 2.019 -9.096 -2.276 474 HZ3 TRP 69 HZ3 TRP 69 -0.592 -5.725 -1.770 475 HH2 TRP 69 HH2 TRP 69 1.320 -7.109 -0.993 476 H ARG 70 H ARG 70 -3.590 -10.501 -7.566 477 HA ARG 70 HA ARG 70 -4.000 -12.830 -5.890 478 HB2 ARG 70 HB2 ARG 70 -5.116 -12.628 -8.103 479 HB3 ARG 70 HB3 ARG 70 -3.537 -12.609 -8.882 480 HG2 ARG 70 HG2 ARG 70 -4.234 -14.856 -9.048 481 HG3 ARG 70 HG3 ARG 70 -3.110 -14.863 -7.689 482 HD2 ARG 70 HD2 ARG 70 -5.294 -14.430 -6.255 483 HD3 ARG 70 HD3 ARG 70 -6.109 -15.083 -7.675 484 HE ARG 70 HE ARG 70 -4.564 -16.549 -5.748 485 HH11 ARG 70 HH11 ARG 70 -5.454 -16.508 -9.146 486 HH12 ARG 70 HH12 ARG 70 -5.267 -18.219 -9.334 487 HH21 ARG 70 HH21 ARG 70 -4.409 -18.774 -6.018 488 HH22 ARG 70 HH22 ARG 70 -4.680 -19.493 -7.570 489 HA PRO 71 HA PRO 71 0.488 -13.383 -5.442 490 HB2 PRO 71 HB2 PRO 71 0.581 -15.909 -4.457 491 HB3 PRO 71 HB3 PRO 71 0.051 -14.511 -3.494 492 HG2 PRO 71 HG2 PRO 71 -1.608 -16.552 -4.899 493 HG3 PRO 71 HG3 PRO 71 -1.784 -15.890 -3.260 494 HD2 PRO 71 HD2 PRO 71 -3.294 -15.005 -5.318 495 HD3 PRO 71 HD3 PRO 71 -2.769 -13.923 -4.010 496 H GLN 72 H GLN 72 -1.453 -15.926 -7.000 497 HA GLN 72 HA GLN 72 0.702 -17.159 -8.396 498 HB2 GLN 72 HB2 GLN 72 -2.279 -17.223 -8.790 499 HB3 GLN 72 HB3 GLN 72 -1.163 -18.145 -9.812 500 HG2 GLN 72 HG2 GLN 72 -0.222 -19.148 -7.679 501 HG3 GLN 72 HG3 GLN 72 -1.558 -18.386 -6.811 502 HE21 GLN 72 HE21 GLN 72 -1.067 -21.308 -7.129 503 HE22 GLN 72 HE22 GLN 72 -2.433 -21.934 -7.918 504 H GLY 73 H GLY 73 -1.589 -14.619 -9.203 505 HA2 GLY 73 HA2 GLY 73 -0.371 -12.885 -10.669 506 HA3 GLY 73 HA3 GLY 73 -0.247 -14.227 -11.802 507 H LYS 74 H LYS 74 -2.582 -15.392 -12.016 508 HA LYS 74 HA LYS 74 -4.662 -13.328 -12.284 509 HB2 LYS 74 HB2 LYS 74 -5.136 -14.048 -14.598 510 HB3 LYS 74 HB3 LYS 74 -3.532 -13.334 -14.431 511 HG2 LYS 74 HG2 LYS 74 -2.500 -15.548 -14.382 512 HG3 LYS 74 HG3 LYS 74 -4.085 -16.325 -14.398 513 HD2 LYS 74 HD2 LYS 74 -3.323 -16.425 -16.652 514 HD3 LYS 74 HD3 LYS 74 -4.491 -15.104 -16.621 515 HE2 LYS 74 HE2 LYS 74 -2.668 -13.467 -16.433 516 HE3 LYS 74 HE3 LYS 74 -1.481 -14.777 -16.403 517 HZ1 LYS 74 HZ1 LYS 74 -1.932 -15.336 -18.599 518 HZ2 LYS 74 HZ2 LYS 74 -1.941 -13.636 -18.619 519 HZ3 LYS 74 HZ3 LYS 74 -3.405 -14.500 -18.626 520 H SER 75 H SER 75 -6.769 -14.039 -12.378 521 HA SER 75 HA SER 75 -7.251 -16.896 -11.802 522 HB2 SER 75 HB2 SER 75 -7.753 -15.561 -9.827 523 HB3 SER 75 HB3 SER 75 -8.738 -14.463 -10.791 524 HG SER 75 HG SER 75 -9.468 -16.705 -9.596 525 H TYR 76 H TYR 76 -8.828 -17.929 -13.033 526 HA TYR 76 HA TYR 76 -9.842 -16.424 -15.336 527 HB2 TYR 76 HB2 TYR 76 -9.742 -19.375 -14.686 528 HB3 TYR 76 HB3 TYR 76 -10.591 -18.739 -16.098 529 HD1 TYR 76 HD1 TYR 76 -7.282 -19.080 -14.457 530 HD2 TYR 76 HD2 TYR 76 -9.388 -17.897 -18.010 531 HE1 TYR 76 HE1 TYR 76 -5.137 -18.979 -15.694 532 HE2 TYR 76 HE2 TYR 76 -7.241 -17.790 -19.247 533 HH TYR 76 HH TYR 76 -4.935 -17.673 -18.942 534 H LEU 77 H LEU 77 -11.429 -15.167 -14.344 535 HA LEU 77 HA LEU 77 -13.964 -16.565 -13.945 536 HB2 LEU 77 HB2 LEU 77 -12.758 -14.652 -11.950 537 HB3 LEU 77 HB3 LEU 77 -14.486 -15.011 -12.008 538 HG LEU 77 HG LEU 77 -12.374 -17.177 -11.790 539 HD11 LEU 77 HD11 LEU 77 -13.927 -15.749 -9.615 540 HD12 LEU 77 HD12 LEU 77 -12.178 -15.740 -9.834 541 HD13 LEU 77 HD13 LEU 77 -13.000 -17.230 -9.373 542 HD21 LEU 77 HD21 LEU 77 -14.487 -18.047 -12.551 543 HD22 LEU 77 HD22 LEU 77 -15.386 -17.047 -11.411 544 HD23 LEU 77 HD23 LEU 77 -14.419 -18.400 -10.823 545 H TYR 78 H TYR 78 -15.821 -15.312 -14.363 546 HA TYR 78 HA TYR 78 -15.302 -13.031 -16.129 547 HB2 TYR 78 HB2 TYR 78 -16.905 -14.992 -16.655 548 HB3 TYR 78 HB3 TYR 78 -18.008 -14.220 -15.516 549 HD1 TYR 78 HD1 TYR 78 -16.283 -13.903 -18.762 550 HD2 TYR 78 HD2 TYR 78 -19.057 -12.076 -16.039 551 HE1 TYR 78 HE1 TYR 78 -16.998 -12.343 -20.546 552 HE2 TYR 78 HE2 TYR 78 -19.776 -10.511 -17.827 553 HH TYR 78 HH TYR 78 -18.115 -10.356 -20.926 554 H PHE 79 H PHE 79 -14.804 -11.384 -14.773 555 HA PHE 79 HA PHE 79 -16.267 -10.839 -12.358 556 HB2 PHE 79 HB2 PHE 79 -14.137 -9.266 -13.822 557 HB3 PHE 79 HB3 PHE 79 -14.805 -8.820 -12.249 558 HD1 PHE 79 HD1 PHE 79 -12.713 -11.237 -14.074 559 HD2 PHE 79 HD2 PHE 79 -14.353 -10.157 -10.256 560 HE1 PHE 79 HE1 PHE 79 -11.147 -12.805 -12.958 561 HE2 PHE 79 HE2 PHE 79 -12.791 -11.728 -9.139 562 HZ PHE 79 HZ PHE 79 -11.186 -13.051 -10.492 563 H THR 80 H THR 80 -17.795 -9.293 -11.966 564 HA THR 80 HA THR 80 -19.169 -8.173 -14.251 565 HB THR 80 HB THR 80 -19.711 -7.773 -11.298 566 HG1 THR 80 HG1 THR 80 -20.760 -9.607 -11.389 567 HG21 THR 80 HG21 THR 80 -21.433 -7.332 -13.752 568 HG22 THR 80 HG22 THR 80 -20.770 -6.069 -12.715 569 HG23 THR 80 HG23 THR 80 -21.989 -7.178 -12.085 570 H GLN 81 H GLN 81 -17.257 -6.946 -11.512 571 HA GLN 81 HA GLN 81 -16.076 -4.804 -12.884 572 HB2 GLN 81 HB2 GLN 81 -17.256 -2.857 -11.882 573 HB3 GLN 81 HB3 GLN 81 -18.284 -3.764 -12.992 574 HG2 GLN 81 HG2 GLN 81 -19.280 -4.962 -11.038 575 HG3 GLN 81 HG3 GLN 81 -18.289 -3.980 -9.957 576 HE21 GLN 81 HE21 GLN 81 -21.383 -4.164 -11.106 577 HE22 GLN 81 HE22 GLN 81 -21.802 -2.520 -11.068 578 H PHE 82 H PHE 82 -14.951 -3.237 -11.368 579 HA PHE 82 HA PHE 82 -14.473 -4.507 -8.718 580 HB2 PHE 82 HB2 PHE 82 -12.410 -3.156 -10.452 581 HB3 PHE 82 HB3 PHE 82 -12.161 -3.876 -8.862 582 HD1 PHE 82 HD1 PHE 82 -12.212 -4.491 -12.396 583 HD2 PHE 82 HD2 PHE 82 -12.691 -6.399 -8.577 584 HE1 PHE 82 HE1 PHE 82 -11.816 -6.696 -13.452 585 HE2 PHE 82 HE2 PHE 82 -12.292 -8.610 -9.634 586 HZ PHE 82 HZ PHE 82 -11.855 -8.757 -12.071 587 H LYS 83 H LYS 83 -14.359 -3.143 -6.950 588 HA LYS 83 HA LYS 83 -14.156 -0.261 -7.423 589 HB2 LYS 83 HB2 LYS 83 -16.404 -1.533 -5.855 590 HB3 LYS 83 HB3 LYS 83 -16.077 0.201 -5.960 591 HG2 LYS 83 HG2 LYS 83 -16.300 0.093 -8.407 592 HG3 LYS 83 HG3 LYS 83 -16.663 -1.619 -8.315 593 HD2 LYS 83 HD2 LYS 83 -18.378 0.193 -6.623 594 HD3 LYS 83 HD3 LYS 83 -18.621 0.247 -8.366 595 HE2 LYS 83 HE2 LYS 83 -20.096 -1.426 -7.414 596 HE3 LYS 83 HE3 LYS 83 -18.872 -2.234 -8.393 597 HZ1 LYS 83 HZ1 LYS 83 -19.424 -3.050 -5.990 598 HZ2 LYS 83 HZ2 LYS 83 -18.360 -1.806 -5.536 599 HZ3 LYS 83 HZ3 LYS 83 -17.825 -3.056 -6.554 600 H ALA 84 H ALA 84 -13.281 0.925 -5.728 601 HA ALA 84 HA ALA 84 -12.628 -0.449 -3.219 602 HB1 ALA 84 HB1 ALA 84 -10.253 0.473 -3.427 603 HB2 ALA 84 HB2 ALA 84 -10.595 0.672 -5.144 604 HB3 ALA 84 HB3 ALA 84 -10.642 -0.933 -4.416 605 H GLU 85 H GLU 85 -12.446 0.899 -1.469 606 HA GLU 85 HA GLU 85 -12.260 3.769 -1.796 607 HB2 GLU 85 HB2 GLU 85 -14.413 4.286 -0.713 608 HB3 GLU 85 HB3 GLU 85 -14.651 3.403 -2.218 609 HG2 GLU 85 HG2 GLU 85 -14.904 1.289 -0.954 610 HG3 GLU 85 HG3 GLU 85 -14.699 2.174 0.559 611 H VAL 86 H VAL 86 -12.215 4.903 0.343 612 HA VAL 86 HA VAL 86 -11.336 3.107 2.535 613 HB VAL 86 HB VAL 86 -9.590 4.756 3.117 614 HG11 VAL 86 HG11 VAL 86 -9.493 3.641 0.298 615 HG12 VAL 86 HG12 VAL 86 -8.972 2.823 1.772 616 HG13 VAL 86 HG13 VAL 86 -8.086 4.229 1.183 617 HG21 VAL 86 HG21 VAL 86 -10.540 6.070 0.552 618 HG22 VAL 86 HG22 VAL 86 -8.969 6.420 1.274 619 HG23 VAL 86 HG23 VAL 86 -10.451 6.796 2.156 620 H ARG 87 H ARG 87 -11.410 4.025 4.673 621 HA ARG 87 HA ARG 87 -13.356 6.231 4.962 622 HB2 ARG 87 HB2 ARG 87 -13.343 3.639 6.529 623 HB3 ARG 87 HB3 ARG 87 -14.401 5.015 6.845 624 HG2 ARG 87 HG2 ARG 87 -14.313 3.611 4.158 625 HG3 ARG 87 HG3 ARG 87 -15.418 3.127 5.443 626 HD2 ARG 87 HD2 ARG 87 -15.279 5.932 4.279 627 HD3 ARG 87 HD3 ARG 87 -16.453 4.709 3.805 628 HE ARG 87 HE ARG 87 -16.675 4.880 6.554 629 HH11 ARG 87 HH11 ARG 87 -16.972 7.174 3.909 630 HH12 ARG 87 HH12 ARG 87 -18.133 8.158 4.735 631 HH21 ARG 87 HH21 ARG 87 -18.214 6.179 7.582 632 HH22 ARG 87 HH22 ARG 87 -18.829 7.597 6.799 633 H GLY 88 H GLY 88 -13.092 7.601 6.666 634 HA2 GLY 88 HA2 GLY 88 -12.153 8.465 8.634 635 HA3 GLY 88 HA3 GLY 88 -11.022 7.116 8.662 636 H ALA 89 H ALA 89 -10.726 8.046 5.589 637 HA ALA 89 HA ALA 89 -9.040 10.393 5.941 638 HB1 ALA 89 HB1 ALA 89 -7.981 7.681 5.152 639 HB2 ALA 89 HB2 ALA 89 -7.422 8.726 6.458 640 HB3 ALA 89 HB3 ALA 89 -7.133 9.179 4.779 641 H GLU 90 H GLU 90 -8.071 11.035 3.791 642 HA GLU 90 HA GLU 90 -10.050 10.571 1.643 643 HB2 GLU 90 HB2 GLU 90 -9.219 12.702 0.678 644 HB3 GLU 90 HB3 GLU 90 -9.861 12.925 2.304 645 HG2 GLU 90 HG2 GLU 90 -7.554 12.834 3.218 646 HG3 GLU 90 HG3 GLU 90 -6.923 12.651 1.580 647 H ILE 91 H ILE 91 -9.382 10.182 -0.449 648 HA ILE 91 HA ILE 91 -6.939 8.639 -0.588 649 HB ILE 91 HB ILE 91 -7.746 8.096 -2.925 650 HG12 ILE 91 HG12 ILE 91 -10.357 9.359 -2.012 651 HG13 ILE 91 HG13 ILE 91 -9.228 10.214 -3.059 652 HG21 ILE 91 HG21 ILE 91 -9.223 6.444 -2.160 653 HG22 ILE 91 HG22 ILE 91 -9.832 7.457 -0.849 654 HG23 ILE 91 HG23 ILE 91 -8.203 6.781 -0.761 655 HD11 ILE 91 HD11 ILE 91 -10.839 9.156 -4.500 656 HD12 ILE 91 HD12 ILE 91 -10.693 7.625 -3.637 657 HD13 ILE 91 HD13 ILE 91 -9.357 8.208 -4.631 658 H GLU 92 H GLU 92 -5.091 9.222 -1.419 659 HA GLU 92 HA GLU 92 -4.782 11.840 -2.645 660 HB2 GLU 92 HB2 GLU 92 -2.815 9.660 -1.933 661 HB3 GLU 92 HB3 GLU 92 -2.357 11.167 -2.734 662 HG2 GLU 92 HG2 GLU 92 -3.226 12.471 -0.867 663 HG3 GLU 92 HG3 GLU 92 -3.803 11.002 -0.075 664 H TYR 93 H TYR 93 -4.538 8.411 -3.500 665 HA TYR 93 HA TYR 93 -5.221 8.926 -6.224 666 HB2 TYR 93 HB2 TYR 93 -2.761 9.547 -6.083 667 HB3 TYR 93 HB3 TYR 93 -2.440 7.837 -5.815 668 HD1 TYR 93 HD1 TYR 93 -3.971 10.264 -8.191 669 HD2 TYR 93 HD2 TYR 93 -2.468 6.279 -7.633 670 HE1 TYR 93 HE1 TYR 93 -4.111 9.870 -10.634 671 HE2 TYR 93 HE2 TYR 93 -2.613 5.888 -10.081 672 HH TYR 93 HH TYR 93 -4.291 7.213 -12.060 673 H ALA 94 H ALA 94 -6.331 7.231 -6.890 674 HA ALA 94 HA ALA 94 -5.714 4.543 -5.801 675 HB1 ALA 94 HB1 ALA 94 -8.041 3.995 -5.833 676 HB2 ALA 94 HB2 ALA 94 -8.448 5.486 -6.684 677 HB3 ALA 94 HB3 ALA 94 -7.903 5.547 -5.007 678 H MET 95 H MET 95 -5.257 3.026 -7.276 679 HA MET 95 HA MET 95 -6.276 3.140 -9.984 680 HB2 MET 95 HB2 MET 95 -4.134 3.289 -11.097 681 HB3 MET 95 HB3 MET 95 -4.341 4.694 -10.057 682 HG2 MET 95 HG2 MET 95 -2.237 4.152 -9.329 683 HG3 MET 95 HG3 MET 95 -3.071 2.964 -8.332 684 HE1 MET 95 HE1 MET 95 -2.332 3.158 -12.273 685 HE2 MET 95 HE2 MET 95 -0.769 2.355 -12.224 686 HE3 MET 95 HE3 MET 95 -1.014 3.831 -11.300 687 H ALA 96 H ALA 96 -5.226 1.310 -11.328 688 HA ALA 96 HA ALA 96 -4.485 -0.975 -9.657 689 HB1 ALA 96 HB1 ALA 96 -6.161 -2.355 -11.044 690 HB2 ALA 96 HB2 ALA 96 -6.903 -0.806 -11.433 691 HB3 ALA 96 HB3 ALA 96 -6.800 -1.335 -9.756 692 H TYR 97 H TYR 97 -3.532 -2.753 -10.839 693 HA TYR 97 HA TYR 97 -2.383 -1.912 -13.448 694 HB2 TYR 97 HB2 TYR 97 -1.238 -3.695 -11.310 695 HB3 TYR 97 HB3 TYR 97 -0.496 -3.443 -12.885 696 HD1 TYR 97 HD1 TYR 97 -0.946 -2.121 -9.540 697 HD2 TYR 97 HD2 TYR 97 0.191 -1.086 -13.553 698 HE1 TYR 97 HE1 TYR 97 0.173 -0.075 -8.697 699 HE2 TYR 97 HE2 TYR 97 1.307 0.961 -12.709 700 HH TYR 97 HH TYR 97 1.140 2.456 -10.713 701 H SER 98 H SER 98 -3.470 -2.929 -15.048 702 HA SER 98 HA SER 98 -4.752 -5.469 -14.807 703 HB2 SER 98 HB2 SER 98 -3.912 -3.887 -17.242 704 HB3 SER 98 HB3 SER 98 -4.858 -5.372 -17.303 705 HG SER 98 HG SER 98 -5.933 -3.164 -17.185 706 H LYS 99 H LYS 99 -1.623 -4.421 -16.050 707 HA LYS 99 HA LYS 99 -0.643 -7.169 -15.886 708 HB2 LYS 99 HB2 LYS 99 -1.394 -6.777 -18.242 709 HB3 LYS 99 HB3 LYS 99 -0.264 -5.436 -18.343 710 HG2 LYS 99 HG2 LYS 99 0.845 -7.339 -19.331 711 HG3 LYS 99 HG3 LYS 99 1.600 -7.065 -17.763 712 HD2 LYS 99 HD2 LYS 99 1.238 -9.425 -17.923 713 HD3 LYS 99 HD3 LYS 99 -0.006 -8.846 -16.830 714 HE2 LYS 99 HE2 LYS 99 -1.584 -8.739 -18.808 715 HE3 LYS 99 HE3 LYS 99 -0.321 -9.505 -19.769 716 HZ1 LYS 99 HZ1 LYS 99 -1.730 -10.607 -17.413 717 HZ2 LYS 99 HZ2 LYS 99 -0.312 -11.300 -18.043 718 HZ3 LYS 99 HZ3 LYS 99 -1.717 -11.216 -18.994 719 H ALA 100 H ALA 100 1.442 -7.331 -15.255 720 HA ALA 100 HA ALA 100 2.769 -4.922 -14.325 721 HB1 ALA 100 HB1 ALA 100 2.931 -6.713 -12.799 722 HB2 ALA 100 HB2 ALA 100 4.516 -6.661 -13.573 723 HB3 ALA 100 HB3 ALA 100 3.333 -7.870 -14.067 724 H ALA 101 H ALA 101 4.662 -4.075 -15.105 725 HA ALA 101 HA ALA 101 5.227 -4.289 -17.836 726 HB1 ALA 101 HB1 ALA 101 7.570 -3.296 -16.784 727 HB2 ALA 101 HB2 ALA 101 6.413 -2.945 -15.503 728 HB3 ALA 101 HB3 ALA 101 6.136 -2.335 -17.128 729 H PHE 102 H PHE 102 6.527 -5.560 -19.031 730 HA PHE 102 HA PHE 102 7.633 -7.956 -17.932 731 HB2 PHE 102 HB2 PHE 102 6.806 -7.778 -20.282 732 HB3 PHE 102 HB3 PHE 102 8.134 -6.674 -20.644 733 HD1 PHE 102 HD1 PHE 102 7.314 -10.148 -19.573 734 HD2 PHE 102 HD2 PHE 102 10.343 -7.496 -21.073 735 HE1 PHE 102 HE1 PHE 102 8.800 -12.087 -20.002 736 HE2 PHE 102 HE2 PHE 102 11.829 -9.436 -21.502 737 HZ PHE 102 HZ PHE 102 11.056 -11.731 -20.966 738 H GLU 103 H GLU 103 9.561 -8.233 -17.006 739 HA GLU 103 HA GLU 103 11.649 -7.839 -16.198 740 HB2 GLU 103 HB2 GLU 103 12.230 -7.778 -18.661 741 HB3 GLU 103 HB3 GLU 103 12.095 -6.020 -18.589 742 HG2 GLU 103 HG2 GLU 103 13.811 -5.970 -16.804 743 HG3 GLU 103 HG3 GLU 103 13.961 -7.725 -16.911 744 H ARG 104 H ARG 104 11.220 -4.584 -17.663 745 HA ARG 104 HA ARG 104 10.629 -3.450 -15.034 746 HB2 ARG 104 HB2 ARG 104 13.018 -2.605 -16.682 747 HB3 ARG 104 HB3 ARG 104 12.399 -1.724 -15.282 748 HG2 ARG 104 HG2 ARG 104 12.772 -3.694 -13.859 749 HG3 ARG 104 HG3 ARG 104 13.367 -4.601 -15.252 750 HD2 ARG 104 HD2 ARG 104 15.274 -3.748 -14.023 751 HD3 ARG 104 HD3 ARG 104 15.152 -2.880 -15.550 752 HE ARG 104 HE ARG 104 13.736 -1.494 -13.495 753 HH11 ARG 104 HH11 ARG 104 17.001 -2.114 -14.643 754 HH12 ARG 104 HH12 ARG 104 17.643 -0.654 -13.966 755 HH21 ARG 104 HH21 ARG 104 14.618 0.396 -12.628 756 HH22 ARG 104 HH22 ARG 104 16.300 0.756 -12.832 757 H GLU 105 H GLU 105 9.804 -3.620 -18.207 758 HA GLU 105 HA GLU 105 8.547 -0.947 -18.186 759 HB2 GLU 105 HB2 GLU 105 10.021 -2.094 -20.562 760 HB3 GLU 105 HB3 GLU 105 9.117 -0.583 -20.533 761 HG2 GLU 105 HG2 GLU 105 10.638 0.275 -18.757 762 HG3 GLU 105 HG3 GLU 105 11.573 -1.216 -18.865 763 H SER 106 H SER 106 6.811 -0.689 -19.721 764 HA SER 106 HA SER 106 5.020 -1.309 -20.974 765 HB2 SER 106 HB2 SER 106 4.974 -3.272 -22.198 766 HB3 SER 106 HB3 SER 106 6.679 -3.213 -21.738 767 HG SER 106 HG SER 106 4.682 -4.946 -20.976 768 H ASP 107 H ASP 107 4.750 -0.824 -18.322 769 HA ASP 107 HA ASP 107 2.980 -2.837 -17.155 770 HB2 ASP 107 HB2 ASP 107 4.587 -1.599 -15.723 771 HB3 ASP 107 HB3 ASP 107 3.770 -0.095 -16.136 772 H VAL 108 H VAL 108 0.903 -2.899 -17.803 773 HA VAL 108 HA VAL 108 -0.332 -0.465 -18.890 774 HB VAL 108 HB VAL 108 -1.310 -3.346 -18.924 775 HG11 VAL 108 HG11 VAL 108 -2.301 -0.942 -20.499 776 HG12 VAL 108 HG12 VAL 108 -3.124 -1.623 -19.095 777 HG13 VAL 108 HG13 VAL 108 -2.949 -2.581 -20.565 778 HG21 VAL 108 HG21 VAL 108 -0.181 -1.709 -21.221 779 HG22 VAL 108 HG22 VAL 108 -0.529 -3.438 -21.202 780 HG23 VAL 108 HG23 VAL 108 0.807 -2.798 -20.248 781 HA PRO 109 HA PRO 109 -2.614 -0.401 -14.856 782 HB2 PRO 109 HB2 PRO 109 -3.056 2.205 -14.655 783 HB3 PRO 109 HB3 PRO 109 -1.410 1.561 -14.447 784 HG2 PRO 109 HG2 PRO 109 -2.625 2.890 -16.827 785 HG3 PRO 109 HG3 PRO 109 -1.018 3.116 -16.107 786 HD2 PRO 109 HD2 PRO 109 -1.525 1.503 -18.309 787 HD3 PRO 109 HD3 PRO 109 -0.121 1.319 -17.230 788 H LEU 110 H LEU 110 -4.867 -0.115 -14.328 789 HA LEU 110 HA LEU 110 -6.699 -0.216 -16.547 790 HB2 LEU 110 HB2 LEU 110 -7.121 -0.175 -13.556 791 HB3 LEU 110 HB3 LEU 110 -8.476 -0.078 -14.682 792 HG LEU 110 HG LEU 110 -6.395 -2.280 -14.792 793 HD11 LEU 110 HD11 LEU 110 -9.005 -2.100 -13.271 794 HD12 LEU 110 HD12 LEU 110 -7.426 -2.617 -12.684 795 HD13 LEU 110 HD13 LEU 110 -8.340 -3.654 -13.769 796 HD21 LEU 110 HD21 LEU 110 -7.574 -2.099 -16.875 797 HD22 LEU 110 HD22 LEU 110 -9.111 -1.800 -16.065 798 HD23 LEU 110 HD23 LEU 110 -8.383 -3.405 -16.010 799 H LYS 111 H LYS 111 -8.245 1.236 -17.180 800 HA LYS 111 HA LYS 111 -7.520 3.942 -17.199 801 HB2 LYS 111 HB2 LYS 111 -8.825 2.807 -18.971 802 HB3 LYS 111 HB3 LYS 111 -10.192 2.679 -17.866 803 HG2 LYS 111 HG2 LYS 111 -10.558 5.019 -17.850 804 HG3 LYS 111 HG3 LYS 111 -8.942 5.366 -18.472 805 HD2 LYS 111 HD2 LYS 111 -10.502 5.707 -20.298 806 HD3 LYS 111 HD3 LYS 111 -9.617 4.221 -20.632 807 HE2 LYS 111 HE2 LYS 111 -11.957 3.792 -21.089 808 HE3 LYS 111 HE3 LYS 111 -11.539 2.937 -19.607 809 HZ1 LYS 111 HZ1 LYS 111 -12.522 4.653 -18.308 810 HZ2 LYS 111 HZ2 LYS 111 -13.650 4.196 -19.493 811 HZ3 LYS 111 HZ3 LYS 111 -12.765 5.636 -19.669 812 H THR 112 H THR 112 -7.958 5.576 -15.900 813 HA THR 112 HA THR 112 -9.073 5.255 -13.323 814 HB THR 112 HB THR 112 -8.629 7.817 -14.908 815 HG1 THR 112 HG1 THR 112 -7.006 6.447 -13.027 816 HG21 THR 112 HG21 THR 112 -10.035 8.320 -13.026 817 HG22 THR 112 HG22 THR 112 -8.397 8.778 -12.560 818 HG23 THR 112 HG23 THR 112 -9.094 7.272 -11.965 819 H GLU 113 H GLU 113 -10.401 6.389 -16.374 820 HA GLU 113 HA GLU 113 -12.922 7.265 -15.333 821 HB2 GLU 113 HB2 GLU 113 -11.979 6.617 -18.115 822 HB3 GLU 113 HB3 GLU 113 -13.609 7.193 -17.744 823 HG2 GLU 113 HG2 GLU 113 -12.733 9.217 -16.761 824 HG3 GLU 113 HG3 GLU 113 -11.078 8.634 -16.908 825 H GLU 114 H GLU 114 -11.734 4.205 -15.458 826 HA GLU 114 HA GLU 114 -13.829 2.623 -16.495 827 HB2 GLU 114 HB2 GLU 114 -11.552 1.763 -15.981 828 HB3 GLU 114 HB3 GLU 114 -11.874 1.976 -14.259 829 HG2 GLU 114 HG2 GLU 114 -13.775 0.378 -14.429 830 HG3 GLU 114 HG3 GLU 114 -13.425 0.159 -16.142 831 H PHE 115 H PHE 115 -13.264 4.083 -13.338 832 HA PHE 115 HA PHE 115 -16.030 3.894 -12.602 833 HB2 PHE 115 HB2 PHE 115 -15.715 2.538 -10.560 834 HB3 PHE 115 HB3 PHE 115 -15.376 1.612 -12.022 835 HD1 PHE 115 HD1 PHE 115 -13.924 3.184 -9.025 836 HD2 PHE 115 HD2 PHE 115 -13.070 0.987 -12.615 837 HE1 PHE 115 HE1 PHE 115 -11.650 2.679 -8.175 838 HE2 PHE 115 HE2 PHE 115 -10.797 0.480 -11.765 839 HZ PHE 115 HZ PHE 115 -10.087 1.325 -9.545 840 H GLU 116 H GLU 116 -16.445 4.834 -10.416 841 HA GLU 116 HA GLU 116 -14.423 6.901 -9.784 842 HB2 GLU 116 HB2 GLU 116 -16.396 7.949 -10.688 843 HB3 GLU 116 HB3 GLU 116 -17.448 7.025 -9.619 844 HG2 GLU 116 HG2 GLU 116 -16.835 8.263 -7.717 845 HG3 GLU 116 HG3 GLU 116 -15.327 8.831 -8.418 846 H VAL 117 H VAL 117 -13.699 7.136 -7.794 847 HA VAL 117 HA VAL 117 -14.991 5.651 -5.591 848 HB VAL 117 HB VAL 117 -12.756 5.116 -4.680 849 HG11 VAL 117 HG11 VAL 117 -13.131 4.182 -7.538 850 HG12 VAL 117 HG12 VAL 117 -13.928 3.487 -6.127 851 HG13 VAL 117 HG13 VAL 117 -12.177 3.362 -6.302 852 HG21 VAL 117 HG21 VAL 117 -11.472 6.958 -5.728 853 HG22 VAL 117 HG22 VAL 117 -11.739 6.247 -7.320 854 HG23 VAL 117 HG23 VAL 117 -10.751 5.399 -6.130 855 H THR 118 H THR 118 -15.042 6.673 -3.678 856 HA THR 118 HA THR 118 -13.750 9.288 -3.356 857 HB THR 118 HB THR 118 -16.678 8.884 -2.726 858 HG1 THR 118 HG1 THR 118 -16.358 8.806 -4.968 859 HG21 THR 118 HG21 THR 118 -15.736 10.632 -1.412 860 HG22 THR 118 HG22 THR 118 -16.548 11.428 -2.760 861 HG23 THR 118 HG23 THR 118 -14.794 11.243 -2.774 862 H LYS 119 H LYS 119 -13.677 10.026 -1.156 863 HA LYS 119 HA LYS 119 -12.845 8.069 0.649 864 HB2 LYS 119 HB2 LYS 119 -12.796 9.851 2.324 865 HB3 LYS 119 HB3 LYS 119 -12.153 10.424 0.788 866 HG2 LYS 119 HG2 LYS 119 -14.354 11.451 0.263 867 HG3 LYS 119 HG3 LYS 119 -14.963 10.916 1.831 868 HD2 LYS 119 HD2 LYS 119 -13.179 12.235 2.951 869 HD3 LYS 119 HD3 LYS 119 -12.641 12.817 1.376 870 HE2 LYS 119 HE2 LYS 119 -15.419 13.229 2.523 871 HE3 LYS 119 HE3 LYS 119 -14.140 14.444 2.509 872 HZ1 LYS 119 HZ1 LYS 119 -14.090 14.290 0.086 873 HZ2 LYS 119 HZ2 LYS 119 -15.629 14.748 0.644 874 HZ3 LYS 119 HZ3 LYS 119 -15.349 13.157 0.117 875 H THR 120 H THR 120 -16.065 9.153 -0.042 876 HA THR 120 HA THR 120 -17.103 7.305 1.972 877 HB THR 120 HB THR 120 -16.990 9.438 3.153 878 HG1 THR 120 HG1 THR 120 -19.270 9.566 3.614 879 HG21 THR 120 HG21 THR 120 -17.080 11.059 1.408 880 HG22 THR 120 HG22 THR 120 -18.557 11.285 2.345 881 HG23 THR 120 HG23 THR 120 -18.613 10.430 0.804 882 H ALA 121 H ALA 121 -17.056 7.650 -1.080 883 HA ALA 121 HA ALA 121 -19.766 6.727 -1.506 884 HB1 ALA 121 HB1 ALA 121 -20.351 8.985 -1.757 885 HB2 ALA 121 HB2 ALA 121 -20.071 8.442 -3.411 886 HB3 ALA 121 HB3 ALA 121 -18.839 9.383 -2.572 887 H VAL 122 H VAL 122 -20.077 5.730 -3.548 888 HA VAL 122 HA VAL 122 -17.697 5.439 -5.251 889 HB VAL 122 HB VAL 122 -18.106 3.004 -5.464 890 HG11 VAL 122 HG11 VAL 122 -17.186 2.409 -3.253 891 HG12 VAL 122 HG12 VAL 122 -17.610 4.020 -2.664 892 HG13 VAL 122 HG13 VAL 122 -16.408 3.835 -3.942 893 HG21 VAL 122 HG21 VAL 122 -20.092 3.532 -3.220 894 HG22 VAL 122 HG22 VAL 122 -19.509 1.926 -3.655 895 HG23 VAL 122 HG23 VAL 122 -20.451 2.866 -4.814 896 H ALA 123 H ALA 123 -18.125 4.744 -7.401 897 HA ALA 123 HA ALA 123 -20.854 4.542 -8.283 898 HB1 ALA 123 HB1 ALA 123 -19.290 7.039 -8.629 899 HB2 ALA 123 HB2 ALA 123 -21.032 6.808 -8.508 900 HB3 ALA 123 HB3 ALA 123 -20.205 6.489 -10.033 901 H HIS 124 H HIS 124 -21.006 4.081 -10.635 902 HA HIS 124 HA HIS 124 -18.523 2.819 -11.635 903 HB2 HIS 124 HB2 HIS 124 -19.920 1.180 -12.800 904 HB3 HIS 124 HB3 HIS 124 -20.284 1.172 -11.075 905 HD2 HIS 124 HD2 HIS 124 -22.087 1.804 -14.453 906 HE1 HIS 124 HE1 HIS 124 -24.819 2.818 -11.396 907 HE2 HIS 124 HE2 HIS 124 -24.560 2.423 -13.892 908 H ARG 125 H ARG 125 -18.037 2.939 -13.824 909 HA ARG 125 HA ARG 125 -19.347 5.152 -15.284 910 HB2 ARG 125 HB2 ARG 125 -16.492 4.167 -15.367 911 HB3 ARG 125 HB3 ARG 125 -17.130 5.398 -16.441 912 HG2 ARG 125 HG2 ARG 125 -17.250 5.662 -13.420 913 HG3 ARG 125 HG3 ARG 125 -15.913 6.294 -14.386 914 HD2 ARG 125 HD2 ARG 125 -17.506 7.670 -15.688 915 HD3 ARG 125 HD3 ARG 125 -18.838 7.060 -14.715 916 HE ARG 125 HE ARG 125 -16.809 8.998 -13.884 917 HH11 ARG 125 HH11 ARG 125 -19.449 6.894 -12.883 918 HH12 ARG 125 HH12 ARG 125 -19.755 7.778 -11.426 919 HH21 ARG 125 HH21 ARG 125 -17.282 10.140 -11.990 920 HH22 ARG 125 HH22 ARG 125 -18.540 9.598 -10.931 921 HA PRO 126 HA PRO 126 -20.372 2.261 -18.529 922 HB2 PRO 126 HB2 PRO 126 -20.185 3.781 -20.779 923 HB3 PRO 126 HB3 PRO 126 -21.512 3.960 -19.609 924 HG2 PRO 126 HG2 PRO 126 -19.028 5.591 -19.903 925 HG3 PRO 126 HG3 PRO 126 -20.704 6.123 -19.644 926 HD2 PRO 126 HD2 PRO 126 -18.933 6.010 -17.604 927 HD3 PRO 126 HD3 PRO 126 -20.660 5.638 -17.368 928 H GLY 127 H GLY 127 -19.367 0.930 -20.093 929 HA2 GLY 127 HA2 GLY 127 -17.639 0.077 -21.409 930 HA3 GLY 127 HA3 GLY 127 -16.709 1.540 -21.085 931 H ALA 128 H ALA 128 -17.979 0.121 -18.232 932 HA ALA 128 HA ALA 128 -15.561 -0.334 -16.976 933 HB1 ALA 128 HB1 ALA 128 -17.963 -2.016 -16.330 934 HB2 ALA 128 HB2 ALA 128 -17.987 -0.278 -16.029 935 HB3 ALA 128 HB3 ALA 128 -16.784 -1.293 -15.235 936 H PHE 129 H PHE 129 -14.449 -2.244 -16.416 937 HA PHE 129 HA PHE 129 -14.318 -4.170 -18.612 938 HB2 PHE 129 HB2 PHE 129 -12.520 -3.593 -16.259 939 HB3 PHE 129 HB3 PHE 129 -12.240 -4.933 -17.371 940 HD1 PHE 129 HD1 PHE 129 -12.446 -1.239 -17.091 941 HD2 PHE 129 HD2 PHE 129 -11.437 -4.566 -19.611 942 HE1 PHE 129 HE1 PHE 129 -11.352 0.307 -18.693 943 HE2 PHE 129 HE2 PHE 129 -10.346 -3.023 -21.214 944 HZ PHE 129 HZ PHE 129 -10.303 -0.584 -20.755 945 H LYS 130 H LYS 130 -14.732 -6.316 -18.478 946 HA LYS 130 HA LYS 130 -15.707 -7.337 -15.882 947 HB2 LYS 130 HB2 LYS 130 -16.796 -7.914 -18.650 948 HB3 LYS 130 HB3 LYS 130 -17.311 -8.747 -17.181 949 HG2 LYS 130 HG2 LYS 130 -18.003 -6.596 -16.205 950 HG3 LYS 130 HG3 LYS 130 -17.494 -5.774 -17.686 951 HD2 LYS 130 HD2 LYS 130 -19.132 -7.099 -18.981 952 HD3 LYS 130 HD3 LYS 130 -19.650 -7.906 -17.500 953 HE2 LYS 130 HE2 LYS 130 -19.805 -4.913 -17.979 954 HE3 LYS 130 HE3 LYS 130 -21.162 -6.029 -18.125 955 HZ1 LYS 130 HZ1 LYS 130 -19.756 -5.116 -15.722 956 HZ2 LYS 130 HZ2 LYS 130 -20.384 -6.695 -15.728 957 HZ3 LYS 130 HZ3 LYS 130 -21.414 -5.368 -15.973 958 H ALA 131 H ALA 131 -14.693 -8.468 -19.090 959 HA ALA 131 HA ALA 131 -13.838 -11.039 -18.312 960 HB1 ALA 131 HB1 ALA 131 -13.051 -9.331 -20.675 961 HB2 ALA 131 HB2 ALA 131 -14.321 -10.555 -20.624 962 HB3 ALA 131 HB3 ALA 131 -12.630 -11.033 -20.489 963 H GLU 132 H GLU 132 -12.161 -7.958 -18.510 964 HA GLU 132 HA GLU 132 -9.535 -9.042 -18.170 965 HB2 GLU 132 HB2 GLU 132 -10.015 -6.901 -19.341 966 HB3 GLU 132 HB3 GLU 132 -10.494 -6.190 -17.798 967 HG2 GLU 132 HG2 GLU 132 -8.177 -5.578 -18.260 968 HG3 GLU 132 HG3 GLU 132 -8.211 -6.699 -16.902 969 H LEU 133 H LEU 133 -8.363 -9.357 -16.392 970 HA LEU 133 HA LEU 133 -9.573 -8.735 -13.766 971 HB2 LEU 133 HB2 LEU 133 -8.233 -10.601 -12.857 972 HB3 LEU 133 HB3 LEU 133 -9.322 -11.132 -14.135 973 HG LEU 133 HG LEU 133 -7.155 -10.643 -15.690 974 HD11 LEU 133 HD11 LEU 133 -5.132 -11.522 -14.340 975 HD12 LEU 133 HD12 LEU 133 -6.062 -11.065 -12.913 976 HD13 LEU 133 HD13 LEU 133 -5.609 -9.843 -14.100 977 HD21 LEU 133 HD21 LEU 133 -8.394 -12.844 -15.295 978 HD22 LEU 133 HD22 LEU 133 -7.251 -13.146 -13.989 979 HD23 LEU 133 HD23 LEU 133 -6.671 -12.987 -15.646 980 H SER 134 H SER 134 -8.086 -8.066 -12.022 981 HA SER 134 HA SER 134 -5.413 -7.275 -12.663 982 HB2 SER 134 HB2 SER 134 -6.648 -5.583 -13.953 983 HB3 SER 134 HB3 SER 134 -7.526 -5.121 -12.505 984 HG SER 134 HG SER 134 -5.598 -3.846 -13.070 985 H LYS 135 H LYS 135 -4.605 -5.618 -10.995 986 HA LYS 135 HA LYS 135 -5.649 -6.327 -8.318 987 HB2 LYS 135 HB2 LYS 135 -3.325 -5.853 -7.510 988 HB3 LYS 135 HB3 LYS 135 -3.419 -7.270 -8.559 989 HG2 LYS 135 HG2 LYS 135 -2.670 -5.846 -10.479 990 HG3 LYS 135 HG3 LYS 135 -2.532 -4.475 -9.380 991 HD2 LYS 135 HD2 LYS 135 -0.328 -5.328 -9.497 992 HD3 LYS 135 HD3 LYS 135 -0.957 -5.984 -7.983 993 HE2 LYS 135 HE2 LYS 135 0.133 -7.791 -9.161 994 HE3 LYS 135 HE3 LYS 135 -1.610 -8.067 -9.262 995 HZ1 LYS 135 HZ1 LYS 135 -0.302 -6.508 -11.372 996 HZ2 LYS 135 HZ2 LYS 135 -1.670 -7.513 -11.455 997 HZ3 LYS 135 HZ3 LYS 135 -0.115 -8.194 -11.379 998 H LEU 136 H LEU 136 -5.746 -4.665 -6.771 999 HA LEU 136 HA LEU 136 -5.631 -1.932 -7.924 1000 HB2 LEU 136 HB2 LEU 136 -7.406 -2.860 -5.663 1001 HB3 LEU 136 HB3 LEU 136 -7.414 -1.279 -6.441 1002 HG LEU 136 HG LEU 136 -7.829 -2.761 -8.657 1003 HD11 LEU 136 HD11 LEU 136 -9.466 -4.646 -7.935 1004 HD12 LEU 136 HD12 LEU 136 -8.660 -4.544 -6.370 1005 HD13 LEU 136 HD13 LEU 136 -7.736 -4.957 -7.810 1006 HD21 LEU 136 HD21 LEU 136 -9.432 -1.101 -8.061 1007 HD22 LEU 136 HD22 LEU 136 -9.851 -1.926 -6.560 1008 HD23 LEU 136 HD23 LEU 136 -10.361 -2.600 -8.108 1009 H VAL 137 H VAL 137 -4.861 -0.244 -6.753 1010 HA VAL 137 HA VAL 137 -3.654 -0.745 -4.133 1011 HB VAL 137 HB VAL 137 -1.847 -1.077 -5.796 1012 HG11 VAL 137 HG11 VAL 137 -2.903 0.448 -7.531 1013 HG12 VAL 137 HG12 VAL 137 -1.160 0.622 -7.331 1014 HG13 VAL 137 HG13 VAL 137 -2.252 1.807 -6.615 1015 HG21 VAL 137 HG21 VAL 137 -1.352 -0.014 -3.587 1016 HG22 VAL 137 HG22 VAL 137 -1.554 1.571 -4.332 1017 HG23 VAL 137 HG23 VAL 137 -0.241 0.513 -4.852 1018 H ILE 138 H ILE 138 -4.262 0.788 -2.771 1019 HA ILE 138 HA ILE 138 -5.109 3.421 -3.841 1020 HB ILE 138 HB ILE 138 -6.366 1.937 -1.506 1021 HG12 ILE 138 HG12 ILE 138 -8.386 1.975 -3.241 1022 HG13 ILE 138 HG13 ILE 138 -7.099 2.123 -4.442 1023 HG21 ILE 138 HG21 ILE 138 -7.045 4.535 -2.926 1024 HG22 ILE 138 HG22 ILE 138 -6.587 4.335 -1.234 1025 HG23 ILE 138 HG23 ILE 138 -8.141 3.725 -1.805 1026 HD11 ILE 138 HD11 ILE 138 -6.273 -0.010 -3.994 1027 HD12 ILE 138 HD12 ILE 138 -7.993 -0.257 -3.706 1028 HD13 ILE 138 HD13 ILE 138 -6.899 -0.032 -2.344 1029 H VAL 139 H VAL 139 -4.180 5.150 -2.989 1030 HA VAL 139 HA VAL 139 -2.762 4.895 -0.396 1031 HB VAL 139 HB VAL 139 -2.066 6.688 -2.764 1032 HG11 VAL 139 HG11 VAL 139 -0.605 6.308 -0.127 1033 HG12 VAL 139 HG12 VAL 139 -1.575 7.720 -0.546 1034 HG13 VAL 139 HG13 VAL 139 -0.109 7.359 -1.457 1035 HG21 VAL 139 HG21 VAL 139 0.001 5.300 -2.854 1036 HG22 VAL 139 HG22 VAL 139 -1.448 4.339 -3.152 1037 HG23 VAL 139 HG23 VAL 139 -0.652 4.272 -1.579 1038 H ALA 140 H ALA 140 -3.641 6.077 1.187 1039 HA ALA 140 HA ALA 140 -5.168 8.512 0.492 1040 HB1 ALA 140 HB1 ALA 140 -6.866 6.913 0.910 1041 HB2 ALA 140 HB2 ALA 140 -6.728 7.856 2.396 1042 HB3 ALA 140 HB3 ALA 140 -6.005 6.252 2.299 1043 H LYS 141 H LYS 141 -5.110 10.191 1.917 1044 HA LYS 141 HA LYS 141 -2.973 10.080 3.932 1045 HB2 LYS 141 HB2 LYS 141 -2.966 11.789 2.040 1046 HB3 LYS 141 HB3 LYS 141 -4.360 12.518 2.841 1047 HG2 LYS 141 HG2 LYS 141 -3.066 12.810 4.893 1048 HG3 LYS 141 HG3 LYS 141 -1.670 12.054 4.126 1049 HD2 LYS 141 HD2 LYS 141 -1.740 13.841 2.360 1050 HD3 LYS 141 HD3 LYS 141 -2.991 14.653 3.302 1051 HE2 LYS 141 HE2 LYS 141 -0.224 13.970 4.323 1052 HE3 LYS 141 HE3 LYS 141 -0.725 15.566 3.768 1053 HZ1 LYS 141 HZ1 LYS 141 -2.604 15.259 5.487 1054 HZ2 LYS 141 HZ2 LYS 141 -1.054 15.691 6.033 1055 HZ3 LYS 141 HZ3 LYS 141 -1.588 14.083 6.165 1056 H ALA 142 H ALA 142 -3.406 10.345 6.068 1057 HA ALA 142 HA ALA 142 -6.012 10.136 7.105 1058 HB1 ALA 142 HB1 ALA 142 -4.411 11.293 9.135 1059 HB2 ALA 142 HB2 ALA 142 -3.318 10.324 8.151 1060 HB3 ALA 142 HB3 ALA 142 -4.735 9.579 8.876 1061 H SER 143 H SER 143 -7.531 11.606 7.770 1062 HA SER 143 HA SER 143 -6.816 14.470 7.713 1063 HB2 SER 143 HB2 SER 143 -8.895 14.970 6.473 1064 HB3 SER 143 HB3 SER 143 -7.764 13.999 5.538 1065 HG SER 143 HG SER 143 -9.276 12.545 5.433 1066 H ARG 144 H ARG 144 -9.187 12.006 8.700 1067 HA ARG 144 HA ARG 144 -10.865 13.678 10.212 1068 HB2 ARG 144 HB2 ARG 144 -11.479 11.372 9.549 1069 HB3 ARG 144 HB3 ARG 144 -10.289 10.737 10.689 1070 HG2 ARG 144 HG2 ARG 144 -11.496 11.839 12.559 1071 HG3 ARG 144 HG3 ARG 144 -12.692 12.456 11.422 1072 HD2 ARG 144 HD2 ARG 144 -12.093 9.517 11.842 1073 HD3 ARG 144 HD3 ARG 144 -13.431 10.377 12.598 1074 HE ARG 144 HE ARG 144 -13.247 9.548 9.811 1075 HH11 ARG 144 HH11 ARG 144 -14.870 11.648 12.111 1076 HH12 ARG 144 HH12 ARG 144 -16.265 11.874 11.109 1077 HH21 ARG 144 HH21 ARG 144 -15.081 9.885 8.522 1078 HH22 ARG 144 HH22 ARG 144 -16.381 10.880 9.090 1079 H THR 145 H THR 145 -7.987 11.814 11.231 1080 HA THR 145 HA THR 145 -7.129 13.621 13.171 1081 HB THR 145 HB THR 145 -9.102 13.130 14.504 1082 HG1 THR 145 HG1 THR 145 -8.033 12.697 16.304 1083 HG21 THR 145 HG21 THR 145 -9.365 10.782 13.327 1084 HG22 THR 145 HG22 THR 145 -9.931 11.000 14.979 1085 HG23 THR 145 HG23 THR 145 -8.383 10.215 14.679 1086 H GLU 146 H GLU 146 -5.243 13.069 12.194 1087 HA GLU 146 HA GLU 146 -4.217 10.478 11.870 1088 HB2 GLU 146 HB2 GLU 146 -3.475 12.519 10.704 1089 HB3 GLU 146 HB3 GLU 146 -2.687 13.060 12.190 1090 HG2 GLU 146 HG2 GLU 146 -1.308 10.994 12.205 1091 HG3 GLU 146 HG3 GLU 146 -2.062 10.486 10.695 1092 H LEU 147 H LEU 147 -3.882 12.827 14.491 1093 HA LEU 147 HA LEU 147 -1.968 11.366 16.003 1094 HB2 LEU 147 HB2 LEU 147 -3.902 13.567 16.737 1095 HB3 LEU 147 HB3 LEU 147 -2.726 12.898 17.867 1096 HG LEU 147 HG LEU 147 -1.937 13.990 15.155 1097 HD11 LEU 147 HD11 LEU 147 -1.382 16.085 16.234 1098 HD12 LEU 147 HD12 LEU 147 -1.789 15.432 17.822 1099 HD13 LEU 147 HD13 LEU 147 -3.060 15.715 16.634 1100 HD21 LEU 147 HD21 LEU 147 -0.456 13.259 17.708 1101 HD22 LEU 147 HD22 LEU 147 0.286 14.220 16.427 1102 HD23 LEU 147 HD23 LEU 147 -0.237 12.566 16.100 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 19.036 10.354 11.527 2 H2 GLY 1 HT2 GLY 1 19.018 8.925 12.447 3 H3 GLY 1 HT3 GLY 1 20.375 9.315 11.500 4 HA2 GLY 1 HA2 GLY 1 21.036 9.867 13.646 5 HA3 GLY 1 HA3 GLY 1 20.555 11.404 12.923 6 H SER 2 H SER 2 18.321 12.132 13.304 7 HA SER 2 HA SER 2 17.628 12.110 16.034 8 HB2 SER 2 HB2 SER 2 17.006 13.953 14.544 9 HB3 SER 2 HB3 SER 2 15.948 12.878 13.639 10 HG SER 2 HG SER 2 14.547 12.880 15.266 11 H LYS 3 H LYS 3 16.265 10.382 13.254 12 HA LYS 3 HA LYS 3 15.274 8.294 15.014 13 HB2 LYS 3 HB2 LYS 3 12.972 8.366 14.132 14 HB3 LYS 3 HB3 LYS 3 13.374 9.856 14.989 15 HG2 LYS 3 HG2 LYS 3 13.859 10.967 12.828 16 HG3 LYS 3 HG3 LYS 3 13.450 9.477 11.972 17 HD2 LYS 3 HD2 LYS 3 11.162 9.576 12.889 18 HD3 LYS 3 HD3 LYS 3 11.567 11.069 13.740 19 HE2 LYS 3 HE2 LYS 3 12.050 12.174 11.590 20 HE3 LYS 3 HE3 LYS 3 11.660 10.683 10.731 21 HZ1 LYS 3 HZ1 LYS 3 9.424 10.800 11.753 22 HZ2 LYS 3 HZ2 LYS 3 9.757 12.096 10.707 23 HZ3 LYS 3 HZ3 LYS 3 9.820 12.320 12.390 24 H GLY 4 H GLY 4 14.724 6.345 13.915 25 HA2 GLY 4 HA2 GLY 4 16.128 6.024 11.364 26 HA3 GLY 4 HA3 GLY 4 15.570 4.727 12.418 27 H THR 5 H THR 5 15.001 4.246 9.921 28 HA THR 5 HA THR 5 12.149 4.985 9.582 29 HB THR 5 HB THR 5 14.165 4.371 7.390 30 HG1 THR 5 HG1 THR 5 14.266 6.497 7.105 31 HG21 THR 5 HG21 THR 5 12.253 5.305 5.959 32 HG22 THR 5 HG22 THR 5 11.222 5.072 7.371 33 HG23 THR 5 HG23 THR 5 12.016 3.686 6.621 34 H VAL 6 H VAL 6 10.836 3.316 9.889 35 HA VAL 6 HA VAL 6 11.657 0.645 8.983 36 HB VAL 6 HB VAL 6 10.747 -0.394 11.038 37 HG11 VAL 6 HG11 VAL 6 12.886 1.651 11.680 38 HG12 VAL 6 HG12 VAL 6 13.183 0.180 10.754 39 HG13 VAL 6 HG13 VAL 6 12.657 0.073 12.434 40 HG21 VAL 6 HG21 VAL 6 9.214 1.370 11.772 41 HG22 VAL 6 HG22 VAL 6 10.557 2.493 11.982 42 HG23 VAL 6 HG23 VAL 6 10.407 1.091 13.041 43 H SER 7 H SER 7 9.921 -0.819 8.602 44 HA SER 7 HA SER 7 7.247 0.408 8.404 45 HB2 SER 7 HB2 SER 7 8.626 -1.191 6.235 46 HB3 SER 7 HB3 SER 7 6.939 -0.692 6.209 47 HG SER 7 HG SER 7 8.264 0.792 5.096 48 H GLU 8 H GLU 8 5.508 -1.022 8.614 49 HA GLU 8 HA GLU 8 6.165 -3.816 9.285 50 HB2 GLU 8 HB2 GLU 8 5.942 -2.441 11.380 51 HB3 GLU 8 HB3 GLU 8 4.268 -2.107 10.924 52 HG2 GLU 8 HG2 GLU 8 4.280 -3.993 12.453 53 HG3 GLU 8 HG3 GLU 8 3.852 -4.583 10.851 54 HA PRO 9 HA PRO 9 2.517 -3.362 6.224 55 HB2 PRO 9 HB2 PRO 9 4.061 -5.514 4.865 56 HB3 PRO 9 HB3 PRO 9 3.273 -4.079 4.178 57 HG2 PRO 9 HG2 PRO 9 5.894 -4.177 4.357 58 HG3 PRO 9 HG3 PRO 9 5.027 -2.677 4.742 59 HD2 PRO 9 HD2 PRO 9 6.186 -4.707 6.635 60 HD3 PRO 9 HD3 PRO 9 6.256 -2.928 6.709 61 H THR 10 H THR 10 0.767 -4.731 6.231 62 HA THR 10 HA THR 10 1.061 -7.315 7.644 63 HB THR 10 HB THR 10 -1.323 -5.431 7.591 64 HG1 THR 10 HG1 THR 10 -0.734 -4.932 9.635 65 HG21 THR 10 HG21 THR 10 -2.099 -7.010 9.462 66 HG22 THR 10 HG22 THR 10 -0.864 -8.129 8.885 67 HG23 THR 10 HG23 THR 10 -2.183 -7.644 7.818 68 H THR 11 H THR 11 0.554 -9.072 6.491 69 HA THR 11 HA THR 11 -0.924 -8.712 3.956 70 HB THR 11 HB THR 11 0.156 -10.932 3.351 71 HG1 THR 11 HG1 THR 11 0.792 -11.509 5.434 72 HG21 THR 11 HG21 THR 11 1.109 -9.209 2.176 73 HG22 THR 11 HG22 THR 11 2.503 -9.723 3.121 74 HG23 THR 11 HG23 THR 11 1.582 -8.305 3.617 75 H VAL 12 H VAL 12 -2.740 -9.653 3.603 76 HA VAL 12 HA VAL 12 -3.554 -11.892 5.339 77 HB VAL 12 HB VAL 12 -5.798 -10.918 5.549 78 HG11 VAL 12 HG11 VAL 12 -3.722 -8.995 6.580 79 HG12 VAL 12 HG12 VAL 12 -3.933 -10.618 7.242 80 HG13 VAL 12 HG13 VAL 12 -5.248 -9.453 7.335 81 HG21 VAL 12 HG21 VAL 12 -4.500 -8.468 4.318 82 HG22 VAL 12 HG22 VAL 12 -6.090 -8.480 5.078 83 HG23 VAL 12 HG23 VAL 12 -5.805 -9.420 3.613 84 H ALA 13 H ALA 13 -5.404 -13.096 4.529 85 HA ALA 13 HA ALA 13 -5.574 -13.033 1.583 86 HB1 ALA 13 HB1 ALA 13 -4.330 -15.003 2.802 87 HB2 ALA 13 HB2 ALA 13 -5.420 -15.339 1.456 88 HB3 ALA 13 HB3 ALA 13 -5.970 -15.570 3.117 89 H PHE 14 H PHE 14 -7.593 -13.371 0.648 90 HA PHE 14 HA PHE 14 -9.857 -13.891 2.432 91 HB2 PHE 14 HB2 PHE 14 -11.151 -11.987 1.671 92 HB3 PHE 14 HB3 PHE 14 -9.620 -11.403 2.306 93 HD1 PHE 14 HD1 PHE 14 -11.745 -11.718 -0.643 94 HD2 PHE 14 HD2 PHE 14 -7.813 -10.644 0.716 95 HE1 PHE 14 HE1 PHE 14 -11.319 -10.561 -2.796 96 HE2 PHE 14 HE2 PHE 14 -7.392 -9.486 -1.446 97 HZ PHE 14 HZ PHE 14 -9.137 -9.436 -3.191 98 H ASP 15 H ASP 15 -11.819 -14.514 1.328 99 HA ASP 15 HA ASP 15 -11.200 -15.929 -1.175 100 HB2 ASP 15 HB2 ASP 15 -13.487 -16.361 0.759 101 HB3 ASP 15 HB3 ASP 15 -13.099 -17.364 -0.635 102 H VAL 16 H VAL 16 -12.054 -15.326 -3.042 103 HA VAL 16 HA VAL 16 -14.245 -13.371 -3.029 104 HB VAL 16 HB VAL 16 -13.747 -13.052 -5.431 105 HG11 VAL 16 HG11 VAL 16 -12.585 -11.619 -3.866 106 HG12 VAL 16 HG12 VAL 16 -11.458 -12.070 -5.143 107 HG13 VAL 16 HG13 VAL 16 -11.366 -12.860 -3.570 108 HG21 VAL 16 HG21 VAL 16 -11.697 -15.228 -4.909 109 HG22 VAL 16 HG22 VAL 16 -11.528 -14.102 -6.250 110 HG23 VAL 16 HG23 VAL 16 -12.924 -15.168 -6.170 111 H ARG 17 H ARG 17 -16.165 -14.279 -2.894 112 HA ARG 17 HA ARG 17 -16.603 -16.876 -4.183 113 HB2 ARG 17 HB2 ARG 17 -18.106 -15.465 -1.983 114 HB3 ARG 17 HB3 ARG 17 -18.593 -17.012 -2.680 115 HG2 ARG 17 HG2 ARG 17 -16.550 -18.076 -1.984 116 HG3 ARG 17 HG3 ARG 17 -15.823 -16.530 -1.537 117 HD2 ARG 17 HD2 ARG 17 -16.570 -17.730 0.458 118 HD3 ARG 17 HD3 ARG 17 -17.502 -16.253 0.242 119 HE ARG 17 HE ARG 17 -18.795 -18.500 -0.990 120 HH11 ARG 17 HH11 ARG 17 -18.242 -16.993 2.138 121 HH12 ARG 17 HH12 ARG 17 -19.674 -17.661 2.847 122 HH21 ARG 17 HH21 ARG 17 -20.651 -19.348 -0.023 123 HH22 ARG 17 HH22 ARG 17 -21.030 -18.989 1.628 124 HA PRO 18 HA PRO 18 -19.038 -14.393 -7.183 125 HB2 PRO 18 HB2 PRO 18 -19.237 -16.184 -9.133 126 HB3 PRO 18 HB3 PRO 18 -17.694 -15.375 -8.791 127 HG2 PRO 18 HG2 PRO 18 -18.618 -18.096 -7.972 128 HG3 PRO 18 HG3 PRO 18 -17.058 -17.606 -8.664 129 HD2 PRO 18 HD2 PRO 18 -17.408 -17.981 -5.989 130 HD3 PRO 18 HD3 PRO 18 -16.255 -16.791 -6.647 131 H GLY 19 H GLY 19 -21.120 -14.788 -8.421 132 HA2 GLY 19 HA2 GLY 19 -22.998 -16.596 -8.463 133 HA3 GLY 19 HA3 GLY 19 -23.015 -16.286 -6.730 134 H GLY 20 H GLY 20 -22.337 -13.579 -8.814 135 HA2 GLY 20 HA2 GLY 20 -23.548 -11.723 -9.436 136 HA3 GLY 20 HA3 GLY 20 -25.010 -12.696 -9.275 137 H VAL 21 H VAL 21 -22.787 -12.371 -6.604 138 HA VAL 21 HA VAL 21 -24.715 -10.627 -5.187 139 HB VAL 21 HB VAL 21 -22.933 -12.796 -4.030 140 HG11 VAL 21 HG11 VAL 21 -23.343 -10.874 -2.493 141 HG12 VAL 21 HG12 VAL 21 -24.086 -12.365 -1.914 142 HG13 VAL 21 HG13 VAL 21 -25.080 -11.126 -2.679 143 HG21 VAL 21 HG21 VAL 21 -24.857 -13.699 -5.319 144 HG22 VAL 21 HG22 VAL 21 -25.956 -12.703 -4.364 145 HG23 VAL 21 HG23 VAL 21 -25.049 -14.004 -3.592 146 H VAL 22 H VAL 22 -23.960 -8.772 -4.422 147 HA VAL 22 HA VAL 22 -21.236 -7.990 -4.943 148 HB VAL 22 HB VAL 22 -23.440 -6.525 -3.437 149 HG11 VAL 22 HG11 VAL 22 -21.175 -5.674 -2.908 150 HG12 VAL 22 HG12 VAL 22 -22.089 -4.503 -3.857 151 HG13 VAL 22 HG13 VAL 22 -20.847 -5.486 -4.630 152 HG21 VAL 22 HG21 VAL 22 -23.964 -7.057 -5.833 153 HG22 VAL 22 HG22 VAL 22 -22.493 -6.206 -6.308 154 HG23 VAL 22 HG23 VAL 22 -23.812 -5.324 -5.536 155 H HIS 23 H HIS 23 -19.596 -8.439 -3.702 156 HA HIS 23 HA HIS 23 -20.032 -8.931 -0.815 157 HB2 HIS 23 HB2 HIS 23 -17.873 -10.013 -2.633 158 HB3 HIS 23 HB3 HIS 23 -17.988 -10.305 -0.899 159 HD2 HIS 23 HD2 HIS 23 -19.243 -11.886 -4.125 160 HE1 HIS 23 HE1 HIS 23 -21.774 -13.359 -1.087 161 HE2 HIS 23 HE2 HIS 23 -21.072 -13.645 -3.511 162 H SER 24 H SER 24 -18.873 -7.867 0.645 163 HA SER 24 HA SER 24 -16.845 -5.935 -0.318 164 HB2 SER 24 HB2 SER 24 -18.843 -5.597 1.928 165 HB3 SER 24 HB3 SER 24 -17.533 -4.474 1.561 166 HG SER 24 HG SER 24 -19.549 -5.294 -0.273 167 H PHE 25 H PHE 25 -14.916 -6.114 0.517 168 HA PHE 25 HA PHE 25 -14.547 -7.495 3.109 169 HB2 PHE 25 HB2 PHE 25 -12.856 -7.794 0.615 170 HB3 PHE 25 HB3 PHE 25 -12.399 -8.404 2.210 171 HD1 PHE 25 HD1 PHE 25 -14.722 -8.788 -0.628 172 HD2 PHE 25 HD2 PHE 25 -13.577 -10.274 3.236 173 HE1 PHE 25 HE1 PHE 25 -16.084 -10.824 -1.003 174 HE2 PHE 25 HE2 PHE 25 -14.939 -12.311 2.856 175 HZ PHE 25 HZ PHE 25 -16.193 -12.585 0.734 176 H SER 26 H SER 26 -12.880 -6.702 4.428 177 HA SER 26 HA SER 26 -11.415 -4.336 3.528 178 HB2 SER 26 HB2 SER 26 -12.267 -2.901 5.251 179 HB3 SER 26 HB3 SER 26 -13.626 -3.568 4.351 180 HG SER 26 HG SER 26 -14.117 -4.864 6.012 181 H HIS 27 H HIS 27 -9.923 -3.516 5.210 182 HA HIS 27 HA HIS 27 -9.154 -5.402 7.300 183 HB2 HIS 27 HB2 HIS 27 -8.011 -6.161 5.182 184 HB3 HIS 27 HB3 HIS 27 -7.152 -4.618 5.172 185 HD2 HIS 27 HD2 HIS 27 -7.109 -8.008 7.115 186 HE1 HIS 27 HE1 HIS 27 -4.036 -5.588 8.701 187 HE2 HIS 27 HE2 HIS 27 -5.045 -7.916 8.711 188 H ASN 28 H ASN 28 -7.871 -4.502 8.908 189 HA ASN 28 HA ASN 28 -6.970 -1.739 8.677 190 HB2 ASN 28 HB2 ASN 28 -8.244 -0.977 10.620 191 HB3 ASN 28 HB3 ASN 28 -9.330 -1.518 9.338 192 HD21 ASN 28 HD21 ASN 28 -9.696 -1.453 12.377 193 HD22 ASN 28 HD22 ASN 28 -10.147 -3.039 12.780 194 H VAL 29 H VAL 29 -5.885 -1.017 10.715 195 HA VAL 29 HA VAL 29 -4.618 -3.282 12.139 196 HB VAL 29 HB VAL 29 -2.499 -1.974 12.157 197 HG11 VAL 29 HG11 VAL 29 -1.985 -2.322 9.726 198 HG12 VAL 29 HG12 VAL 29 -3.705 -2.599 9.454 199 HG13 VAL 29 HG13 VAL 29 -2.787 -3.702 10.480 200 HG21 VAL 29 HG21 VAL 29 -2.237 0.055 10.969 201 HG22 VAL 29 HG22 VAL 29 -3.837 0.249 11.678 202 HG23 VAL 29 HG23 VAL 29 -3.680 -0.210 9.990 203 H GLY 30 H GLY 30 -3.779 -2.780 14.268 204 HA2 GLY 30 HA2 GLY 30 -5.669 -1.507 15.881 205 HA3 GLY 30 HA3 GLY 30 -4.057 -1.982 16.409 206 HA PRO 31 HA PRO 31 -2.473 2.251 16.401 207 HB2 PRO 31 HB2 PRO 31 -1.197 2.086 13.703 208 HB3 PRO 31 HB3 PRO 31 -0.483 2.552 15.262 209 HG2 PRO 31 HG2 PRO 31 0.085 0.213 14.230 210 HG3 PRO 31 HG3 PRO 31 -0.266 0.349 15.968 211 HD2 PRO 31 HD2 PRO 31 -2.063 -0.650 13.767 212 HD3 PRO 31 HD3 PRO 31 -1.811 -1.310 15.406 213 H GLY 32 H GLY 32 -3.439 1.393 13.114 214 HA2 GLY 32 HA2 GLY 32 -4.709 3.993 12.639 215 HA3 GLY 32 HA3 GLY 32 -4.438 2.729 11.439 216 H ASP 33 H ASP 33 -6.060 2.764 14.637 217 HA ASP 33 HA ASP 33 -8.037 0.916 13.899 218 HB2 ASP 33 HB2 ASP 33 -9.253 1.715 15.944 219 HB3 ASP 33 HB3 ASP 33 -7.573 1.245 16.205 220 H LYS 34 H LYS 34 -7.917 4.389 13.496 221 HA LYS 34 HA LYS 34 -10.710 4.521 12.614 222 HB2 LYS 34 HB2 LYS 34 -8.587 6.683 12.705 223 HB3 LYS 34 HB3 LYS 34 -10.280 6.930 12.276 224 HG2 LYS 34 HG2 LYS 34 -9.343 5.830 14.946 225 HG3 LYS 34 HG3 LYS 34 -9.751 7.520 14.665 226 HD2 LYS 34 HD2 LYS 34 -12.046 6.803 13.958 227 HD3 LYS 34 HD3 LYS 34 -11.625 5.144 14.386 228 HE2 LYS 34 HE2 LYS 34 -11.177 5.841 16.709 229 HE3 LYS 34 HE3 LYS 34 -11.606 7.500 16.295 230 HZ1 LYS 34 HZ1 LYS 34 -13.820 6.851 15.824 231 HZ2 LYS 34 HZ2 LYS 34 -13.422 6.171 17.329 232 HZ3 LYS 34 HZ3 LYS 34 -13.445 5.202 15.934 233 H TYR 35 H TYR 35 -7.798 3.605 11.229 234 HA TYR 35 HA TYR 35 -8.583 4.556 8.536 235 HB2 TYR 35 HB2 TYR 35 -5.887 3.667 9.583 236 HB3 TYR 35 HB3 TYR 35 -6.222 4.076 7.901 237 HD1 TYR 35 HD1 TYR 35 -5.768 5.374 11.298 238 HD2 TYR 35 HD2 TYR 35 -6.788 6.386 7.252 239 HE1 TYR 35 HE1 TYR 35 -5.435 7.776 11.816 240 HE2 TYR 35 HE2 TYR 35 -6.456 8.789 7.770 241 HH TYR 35 HH TYR 35 -6.038 9.927 11.014 242 H THR 36 H THR 36 -9.160 3.144 7.017 243 HA THR 36 HA THR 36 -8.295 0.385 7.077 244 HB THR 36 HB THR 36 -10.175 0.279 8.645 245 HG1 THR 36 HG1 THR 36 -11.034 -1.444 7.700 246 HG21 THR 36 HG21 THR 36 -11.757 1.482 6.355 247 HG22 THR 36 HG22 THR 36 -11.483 2.196 7.944 248 HG23 THR 36 HG23 THR 36 -12.489 0.756 7.786 249 H CYS 37 H CYS 37 -8.876 -0.808 5.169 250 HA CYS 37 HA CYS 37 -9.675 0.910 2.891 251 HB2 CYS 37 HB2 CYS 37 -7.754 -1.438 2.905 252 HB3 CYS 37 HB3 CYS 37 -8.298 -0.587 1.457 253 H MET 38 H MET 38 -11.085 0.055 1.383 254 HA MET 38 HA MET 38 -12.403 -2.495 2.099 255 HB2 MET 38 HB2 MET 38 -13.729 0.083 1.275 256 HB3 MET 38 HB3 MET 38 -14.555 -1.467 1.434 257 HG2 MET 38 HG2 MET 38 -13.730 -1.590 3.792 258 HG3 MET 38 HG3 MET 38 -13.132 0.056 3.622 259 HE1 MET 38 HE1 MET 38 -15.734 1.624 1.934 260 HE2 MET 38 HE2 MET 38 -14.283 1.890 2.891 261 HE3 MET 38 HE3 MET 38 -15.854 2.354 3.540 262 H PHE 39 H PHE 39 -13.354 -3.659 0.479 263 HA PHE 39 HA PHE 39 -12.869 -2.828 -2.297 264 HB2 PHE 39 HB2 PHE 39 -10.965 -4.264 -1.518 265 HB3 PHE 39 HB3 PHE 39 -12.120 -5.567 -1.250 266 HD1 PHE 39 HD1 PHE 39 -10.950 -3.174 -3.888 267 HD2 PHE 39 HD2 PHE 39 -12.673 -7.016 -3.035 268 HE1 PHE 39 HE1 PHE 39 -10.792 -3.780 -6.288 269 HE2 PHE 39 HE2 PHE 39 -12.516 -7.619 -5.435 270 HZ PHE 39 HZ PHE 39 -11.575 -6.002 -7.060 271 H THR 40 H THR 40 -14.815 -2.819 -3.193 272 HA THR 40 HA THR 40 -16.754 -4.967 -2.527 273 HB THR 40 HB THR 40 -17.320 -2.149 -3.523 274 HG1 THR 40 HG1 THR 40 -17.294 -1.675 -1.493 275 HG21 THR 40 HG21 THR 40 -19.251 -4.252 -2.501 276 HG22 THR 40 HG22 THR 40 -18.972 -3.932 -4.213 277 HG23 THR 40 HG23 THR 40 -19.655 -2.675 -3.181 278 H TYR 41 H TYR 41 -17.401 -6.301 -4.140 279 HA TYR 41 HA TYR 41 -17.159 -5.496 -6.946 280 HB2 TYR 41 HB2 TYR 41 -15.715 -7.408 -7.535 281 HB3 TYR 41 HB3 TYR 41 -14.911 -6.302 -6.421 282 HD1 TYR 41 HD1 TYR 41 -16.339 -9.662 -6.841 283 HD2 TYR 41 HD2 TYR 41 -14.643 -6.888 -4.037 284 HE1 TYR 41 HE1 TYR 41 -16.026 -11.501 -5.205 285 HE2 TYR 41 HE2 TYR 41 -14.326 -8.723 -2.408 286 HH TYR 41 HH TYR 41 -15.825 -11.683 -2.675 287 H ALA 42 H ALA 42 -17.984 -7.083 -8.471 288 HA ALA 42 HA ALA 42 -19.810 -9.111 -7.357 289 HB1 ALA 42 HB1 ALA 42 -21.128 -7.066 -7.914 290 HB2 ALA 42 HB2 ALA 42 -21.573 -8.455 -8.905 291 HB3 ALA 42 HB3 ALA 42 -20.551 -7.184 -9.576 292 H SER 43 H SER 43 -19.836 -11.024 -8.511 293 HA SER 43 HA SER 43 -18.715 -11.146 -11.214 294 HB2 SER 43 HB2 SER 43 -16.738 -11.251 -9.738 295 HB3 SER 43 HB3 SER 43 -17.462 -12.657 -8.957 296 HG SER 43 HG SER 43 -16.797 -13.824 -10.562 297 H GLN 44 H GLN 44 -18.794 -13.254 -12.161 298 HA GLN 44 HA GLN 44 -20.871 -14.996 -11.005 299 HB2 GLN 44 HB2 GLN 44 -21.639 -13.674 -13.002 300 HB3 GLN 44 HB3 GLN 44 -20.400 -14.488 -13.949 301 HG2 GLN 44 HG2 GLN 44 -22.532 -15.655 -14.247 302 HG3 GLN 44 HG3 GLN 44 -21.409 -16.684 -13.354 303 HE21 GLN 44 HE21 GLN 44 -22.532 -17.764 -11.730 304 HE22 GLN 44 HE22 GLN 44 -23.749 -17.078 -10.764 305 H GLY 45 H GLY 45 -20.289 -17.037 -10.735 306 HA2 GLY 45 HA2 GLY 45 -18.795 -18.683 -12.388 307 HA3 GLY 45 HA3 GLY 45 -17.656 -17.974 -11.240 308 H GLY 46 H GLY 46 -17.768 -20.579 -10.984 309 HA2 GLY 46 HA2 GLY 46 -19.661 -21.133 -8.766 310 HA3 GLY 46 HA3 GLY 46 -19.118 -22.359 -9.909 311 H THR 47 H THR 47 -16.426 -20.519 -9.324 312 HA THR 47 HA THR 47 -15.641 -22.050 -6.913 313 HB THR 47 HB THR 47 -13.908 -21.666 -9.377 314 HG1 THR 47 HG1 THR 47 -15.258 -23.930 -8.321 315 HG21 THR 47 HG21 THR 47 -12.436 -23.319 -8.182 316 HG22 THR 47 HG22 THR 47 -13.474 -23.150 -6.766 317 HG23 THR 47 HG23 THR 47 -12.560 -21.764 -7.358 318 H ASN 48 H ASN 48 -14.670 -20.886 -5.368 319 HA ASN 48 HA ASN 48 -14.283 -18.067 -5.809 320 HB2 ASN 48 HB2 ASN 48 -13.820 -17.963 -3.397 321 HB3 ASN 48 HB3 ASN 48 -15.308 -18.858 -3.719 322 HD21 ASN 48 HD21 ASN 48 -12.847 -19.011 -1.640 323 HD22 ASN 48 HD22 ASN 48 -12.617 -20.689 -1.526 324 H GLU 49 H GLU 49 -12.200 -17.128 -4.587 325 HA GLU 49 HA GLU 49 -9.826 -18.718 -5.160 326 HB2 GLU 49 HB2 GLU 49 -10.446 -17.463 -7.252 327 HB3 GLU 49 HB3 GLU 49 -10.160 -15.968 -6.365 328 HG2 GLU 49 HG2 GLU 49 -8.166 -16.597 -7.632 329 HG3 GLU 49 HG3 GLU 49 -7.841 -16.680 -5.904 330 H GLN 50 H GLN 50 -7.932 -17.983 -4.201 331 HA GLN 50 HA GLN 50 -8.384 -16.243 -1.875 332 HB2 GLN 50 HB2 GLN 50 -6.233 -18.275 -2.486 333 HB3 GLN 50 HB3 GLN 50 -6.244 -17.244 -1.055 334 HG2 GLN 50 HG2 GLN 50 -8.366 -18.175 -0.329 335 HG3 GLN 50 HG3 GLN 50 -8.508 -19.102 -1.819 336 HE21 GLN 50 HE21 GLN 50 -8.277 -20.047 1.075 337 HE22 GLN 50 HE22 GLN 50 -6.967 -21.128 1.065 338 H TRP 51 H TRP 51 -7.677 -14.255 -1.937 339 HA TRP 51 HA TRP 51 -5.395 -13.523 -3.675 340 HB2 TRP 51 HB2 TRP 51 -7.889 -11.995 -2.961 341 HB3 TRP 51 HB3 TRP 51 -6.467 -11.210 -3.641 342 HD1 TRP 51 HD1 TRP 51 -8.629 -14.324 -4.530 343 HE1 TRP 51 HE1 TRP 51 -8.960 -14.340 -7.097 344 HE3 TRP 51 HE3 TRP 51 -5.962 -10.152 -5.799 345 HZ2 TRP 51 HZ2 TRP 51 -8.196 -12.777 -9.381 346 HZ3 TRP 51 HZ3 TRP 51 -5.782 -9.433 -8.165 347 HH2 TRP 51 HH2 TRP 51 -6.889 -10.728 -9.962 348 H GLN 52 H GLN 52 -3.881 -12.047 -2.856 349 HA GLN 52 HA GLN 52 -3.812 -11.882 0.094 350 HB2 GLN 52 HB2 GLN 52 -1.589 -11.385 -1.919 351 HB3 GLN 52 HB3 GLN 52 -1.423 -11.376 -0.169 352 HG2 GLN 52 HG2 GLN 52 -2.315 -13.769 -1.803 353 HG3 GLN 52 HG3 GLN 52 -0.693 -13.540 -1.156 354 HE21 GLN 52 HE21 GLN 52 -3.300 -15.364 -0.514 355 HE22 GLN 52 HE22 GLN 52 -3.269 -15.382 1.183 356 H MET 53 H MET 53 -3.619 -9.968 1.164 357 HA MET 53 HA MET 53 -3.738 -7.481 -0.422 358 HB2 MET 53 HB2 MET 53 -5.257 -8.055 2.132 359 HB3 MET 53 HB3 MET 53 -5.254 -6.531 1.249 360 HG2 MET 53 HG2 MET 53 -6.159 -7.802 -0.750 361 HG3 MET 53 HG3 MET 53 -6.336 -9.192 0.307 362 HE1 MET 53 HE1 MET 53 -9.022 -8.636 2.645 363 HE2 MET 53 HE2 MET 53 -7.489 -7.964 3.195 364 HE3 MET 53 HE3 MET 53 -7.498 -9.426 2.212 365 H SER 54 H SER 54 -2.211 -6.067 0.097 366 HA SER 54 HA SER 54 -0.825 -6.411 2.688 367 HB2 SER 54 HB2 SER 54 0.297 -5.554 0.023 368 HB3 SER 54 HB3 SER 54 1.175 -5.490 1.548 369 HG SER 54 HG SER 54 1.667 -7.463 0.864 370 H LEU 55 H LEU 55 -0.826 -4.777 4.001 371 HA LEU 55 HA LEU 55 -1.295 -2.057 2.941 372 HB2 LEU 55 HB2 LEU 55 -2.714 -1.546 4.898 373 HB3 LEU 55 HB3 LEU 55 -3.439 -2.747 3.833 374 HG LEU 55 HG LEU 55 -1.749 -3.775 6.123 375 HD11 LEU 55 HD11 LEU 55 -3.647 -3.669 7.671 376 HD12 LEU 55 HD12 LEU 55 -4.575 -2.751 6.488 377 HD13 LEU 55 HD13 LEU 55 -3.125 -2.050 7.207 378 HD21 LEU 55 HD21 LEU 55 -3.238 -5.646 6.016 379 HD22 LEU 55 HD22 LEU 55 -2.959 -5.205 4.335 380 HD23 LEU 55 HD23 LEU 55 -4.454 -4.729 5.130 381 H GLY 56 H GLY 56 -0.145 -0.459 3.820 382 HA2 GLY 56 HA2 GLY 56 1.456 -0.964 6.226 383 HA3 GLY 56 HA3 GLY 56 2.291 -0.534 4.731 384 H THR 57 H THR 57 2.296 0.949 7.171 385 HA THR 57 HA THR 57 1.090 3.474 6.226 386 HB THR 57 HB THR 57 0.577 4.072 8.557 387 HG1 THR 57 HG1 THR 57 1.319 1.395 9.120 388 HG21 THR 57 HG21 THR 57 -1.390 2.758 8.767 389 HG22 THR 57 HG22 THR 57 -0.636 1.367 7.986 390 HG23 THR 57 HG23 THR 57 -1.049 2.792 7.035 391 H SER 58 H SER 58 2.129 5.389 6.994 392 HA SER 58 HA SER 58 4.977 5.263 6.915 393 HB2 SER 58 HB2 SER 58 3.780 7.198 6.025 394 HB3 SER 58 HB3 SER 58 3.107 7.533 7.619 395 HG SER 58 HG SER 58 4.956 8.802 7.215 396 H GLU 59 H GLU 59 6.461 5.885 8.570 397 HA GLU 59 HA GLU 59 6.018 4.704 11.078 398 HB2 GLU 59 HB2 GLU 59 8.116 5.802 11.785 399 HB3 GLU 59 HB3 GLU 59 8.276 5.074 10.188 400 HG2 GLU 59 HG2 GLU 59 7.811 7.311 9.167 401 HG3 GLU 59 HG3 GLU 59 7.796 8.013 10.787 402 H ASP 60 H ASP 60 5.224 7.888 9.938 403 HA ASP 60 HA ASP 60 4.601 8.857 12.642 404 HB2 ASP 60 HB2 ASP 60 4.505 10.283 9.973 405 HB3 ASP 60 HB3 ASP 60 4.178 11.022 11.543 406 H HIS 61 H HIS 61 3.059 7.026 10.341 407 HA HIS 61 HA HIS 61 0.896 6.406 9.933 408 HB2 HIS 61 HB2 HIS 61 0.393 7.934 12.501 409 HB3 HIS 61 HB3 HIS 61 -0.797 6.907 11.694 410 HD2 HIS 61 HD2 HIS 61 2.831 6.394 13.273 411 HE1 HIS 61 HE1 HIS 61 0.727 2.738 13.414 412 HE2 HIS 61 HE2 HIS 61 2.879 3.909 14.074 413 H GLN 62 H GLN 62 1.999 8.985 8.915 414 HA GLN 62 HA GLN 62 -0.346 10.693 8.637 415 HB2 GLN 62 HB2 GLN 62 1.161 12.168 7.324 416 HB3 GLN 62 HB3 GLN 62 1.789 11.810 8.934 417 HG2 GLN 62 HG2 GLN 62 3.302 10.160 8.060 418 HG3 GLN 62 HG3 GLN 62 2.581 10.274 6.462 419 HE21 GLN 62 HE21 GLN 62 5.254 11.271 8.171 420 HE22 GLN 62 HE22 GLN 62 5.612 12.703 7.331 421 H HIS 63 H HIS 63 1.374 8.271 6.785 422 HA HIS 63 HA HIS 63 -0.483 8.705 4.514 423 HB2 HIS 63 HB2 HIS 63 2.357 7.658 4.489 424 HB3 HIS 63 HB3 HIS 63 1.263 7.548 3.110 425 HD2 HIS 63 HD2 HIS 63 3.723 10.066 4.605 426 HE1 HIS 63 HE1 HIS 63 1.301 12.234 1.919 427 HE2 HIS 63 HE2 HIS 63 3.421 12.310 3.313 428 H PHE 64 H PHE 64 -1.593 6.996 3.693 429 HA PHE 64 HA PHE 64 -1.193 4.345 4.934 430 HB2 PHE 64 HB2 PHE 64 -3.842 5.705 4.369 431 HB3 PHE 64 HB3 PHE 64 -3.658 4.027 4.886 432 HD1 PHE 64 HD1 PHE 64 -3.462 7.551 5.907 433 HD2 PHE 64 HD2 PHE 64 -2.871 3.482 7.150 434 HE1 PHE 64 HE1 PHE 64 -3.379 8.283 8.276 435 HE2 PHE 64 HE2 PHE 64 -2.786 4.214 9.517 436 HZ PHE 64 HZ PHE 64 -3.040 6.616 10.081 437 H THR 65 H THR 65 -1.226 2.632 3.540 438 HA THR 65 HA THR 65 -2.232 3.049 0.811 439 HB THR 65 HB THR 65 0.150 3.544 0.667 440 HG1 THR 65 HG1 THR 65 -0.505 0.988 -0.356 441 HG21 THR 65 HG21 THR 65 0.898 2.256 2.647 442 HG22 THR 65 HG22 THR 65 1.841 1.845 1.214 443 HG23 THR 65 HG23 THR 65 0.575 0.755 1.778 444 H CYS 66 H CYS 66 -3.159 1.330 -0.128 445 HA CYS 66 HA CYS 66 -2.886 -1.316 1.150 446 HB2 CYS 66 HB2 CYS 66 -5.486 -0.018 0.295 447 HB3 CYS 66 HB3 CYS 66 -5.311 -1.717 0.749 448 H THR 67 H THR 67 -2.631 -2.996 -0.231 449 HA THR 67 HA THR 67 -3.145 -2.540 -3.110 450 HB THR 67 HB THR 67 -0.668 -3.871 -1.973 451 HG1 THR 67 HG1 THR 67 -0.248 -1.793 -1.737 452 HG21 THR 67 HG21 THR 67 -1.073 -2.998 -4.827 453 HG22 THR 67 HG22 THR 67 -1.664 -4.572 -4.300 454 HG23 THR 67 HG23 THR 67 0.053 -4.191 -4.186 455 H ILE 68 H ILE 68 -4.222 -4.154 -4.100 456 HA ILE 68 HA ILE 68 -4.444 -6.772 -2.705 457 HB ILE 68 HB ILE 68 -6.645 -5.370 -4.289 458 HG12 ILE 68 HG12 ILE 68 -6.537 -5.881 -1.285 459 HG13 ILE 68 HG13 ILE 68 -6.024 -4.359 -2.005 460 HG21 ILE 68 HG21 ILE 68 -6.468 -8.011 -2.822 461 HG22 ILE 68 HG22 ILE 68 -7.003 -7.710 -4.475 462 HG23 ILE 68 HG23 ILE 68 -8.021 -7.226 -3.120 463 HD11 ILE 68 HD11 ILE 68 -8.430 -4.412 -1.178 464 HD12 ILE 68 HD12 ILE 68 -8.768 -5.556 -2.476 465 HD13 ILE 68 HD13 ILE 68 -8.226 -3.922 -2.860 466 H TRP 69 H TRP 69 -3.769 -8.491 -3.909 467 HA TRP 69 HA TRP 69 -4.282 -8.598 -6.758 468 HB2 TRP 69 HB2 TRP 69 -2.013 -8.742 -7.562 469 HB3 TRP 69 HB3 TRP 69 -2.149 -7.268 -6.615 470 HD1 TRP 69 HD1 TRP 69 -0.351 -10.555 -6.772 471 HE1 TRP 69 HE1 TRP 69 1.365 -10.699 -4.855 472 HE3 TRP 69 HE3 TRP 69 -1.750 -6.490 -4.060 473 HZ2 TRP 69 HZ2 TRP 69 2.048 -9.276 -2.480 474 HZ3 TRP 69 HZ3 TRP 69 -0.552 -5.899 -1.960 475 HH2 TRP 69 HH2 TRP 69 1.346 -7.297 -1.177 476 H ARG 70 H ARG 70 -3.521 -10.639 -7.764 477 HA ARG 70 HA ARG 70 -4.041 -12.899 -6.024 478 HB2 ARG 70 HB2 ARG 70 -5.053 -12.777 -8.283 479 HB3 ARG 70 HB3 ARG 70 -3.445 -12.774 -9.000 480 HG2 ARG 70 HG2 ARG 70 -4.168 -15.025 -9.143 481 HG3 ARG 70 HG3 ARG 70 -3.067 -15.004 -7.765 482 HD2 ARG 70 HD2 ARG 70 -5.065 -14.716 -6.265 483 HD3 ARG 70 HD3 ARG 70 -6.091 -14.946 -7.681 484 HE ARG 70 HE ARG 70 -4.650 -17.002 -6.249 485 HH11 ARG 70 HH11 ARG 70 -5.953 -16.130 -9.384 486 HH12 ARG 70 HH12 ARG 70 -6.119 -17.771 -9.912 487 HH21 ARG 70 HH21 ARG 70 -4.878 -19.132 -6.982 488 HH22 ARG 70 HH22 ARG 70 -5.507 -19.456 -8.562 489 HA PRO 71 HA PRO 71 0.468 -13.394 -5.402 490 HB2 PRO 71 HB2 PRO 71 0.485 -15.721 -4.022 491 HB3 PRO 71 HB3 PRO 71 -0.030 -14.177 -3.302 492 HG2 PRO 71 HG2 PRO 71 -1.715 -16.374 -4.419 493 HG3 PRO 71 HG3 PRO 71 -1.892 -15.493 -2.889 494 HD2 PRO 71 HD2 PRO 71 -3.369 -14.856 -5.052 495 HD3 PRO 71 HD3 PRO 71 -2.802 -13.608 -3.917 496 H GLN 72 H GLN 72 -1.578 -16.022 -6.604 497 HA GLN 72 HA GLN 72 0.511 -17.605 -7.716 498 HB2 GLN 72 HB2 GLN 72 -2.470 -17.532 -8.153 499 HB3 GLN 72 HB3 GLN 72 -1.411 -18.689 -8.975 500 HG2 GLN 72 HG2 GLN 72 -0.587 -19.468 -6.763 501 HG3 GLN 72 HG3 GLN 72 -1.698 -18.346 -5.972 502 HE21 GLN 72 HE21 GLN 72 -3.088 -19.906 -4.997 503 HE22 GLN 72 HE22 GLN 72 -4.028 -20.996 -5.898 504 H GLY 73 H GLY 73 -1.567 -15.069 -8.964 505 HA2 GLY 73 HA2 GLY 73 -0.148 -13.737 -10.690 506 HA3 GLY 73 HA3 GLY 73 -0.299 -15.238 -11.605 507 H LYS 74 H LYS 74 -2.666 -16.056 -11.742 508 HA LYS 74 HA LYS 74 -4.603 -13.857 -11.990 509 HB2 LYS 74 HB2 LYS 74 -5.208 -14.579 -14.274 510 HB3 LYS 74 HB3 LYS 74 -3.565 -13.943 -14.185 511 HG2 LYS 74 HG2 LYS 74 -2.700 -16.278 -14.046 512 HG3 LYS 74 HG3 LYS 74 -4.354 -16.879 -14.206 513 HD2 LYS 74 HD2 LYS 74 -3.445 -16.969 -16.408 514 HD3 LYS 74 HD3 LYS 74 -4.478 -15.539 -16.392 515 HE2 LYS 74 HE2 LYS 74 -2.506 -14.109 -15.992 516 HE3 LYS 74 HE3 LYS 74 -1.469 -15.538 -15.981 517 HZ1 LYS 74 HZ1 LYS 74 -1.441 -14.471 -18.136 518 HZ2 LYS 74 HZ2 LYS 74 -3.130 -14.604 -18.257 519 HZ3 LYS 74 HZ3 LYS 74 -2.162 -16.001 -18.255 520 H SER 75 H SER 75 -6.744 -14.423 -12.118 521 HA SER 75 HA SER 75 -7.381 -17.190 -11.294 522 HB2 SER 75 HB2 SER 75 -9.266 -16.250 -10.059 523 HB3 SER 75 HB3 SER 75 -7.766 -15.527 -9.501 524 HG SER 75 HG SER 75 -9.904 -14.425 -10.865 525 H TYR 76 H TYR 76 -9.172 -18.183 -12.290 526 HA TYR 76 HA TYR 76 -10.091 -16.832 -14.745 527 HB2 TYR 76 HB2 TYR 76 -8.991 -19.091 -14.911 528 HB3 TYR 76 HB3 TYR 76 -10.368 -19.763 -14.033 529 HD1 TYR 76 HD1 TYR 76 -9.336 -18.004 -17.135 530 HD2 TYR 76 HD2 TYR 76 -12.492 -20.093 -15.107 531 HE1 TYR 76 HE1 TYR 76 -10.626 -18.110 -19.251 532 HE2 TYR 76 HE2 TYR 76 -13.782 -20.200 -17.220 533 HH TYR 76 HH TYR 76 -12.621 -19.913 -20.094 534 H LEU 77 H LEU 77 -11.643 -15.511 -13.796 535 HA LEU 77 HA LEU 77 -14.199 -16.835 -13.335 536 HB2 LEU 77 HB2 LEU 77 -12.959 -14.867 -11.409 537 HB3 LEU 77 HB3 LEU 77 -14.696 -15.166 -11.463 538 HG LEU 77 HG LEU 77 -12.652 -17.382 -11.108 539 HD11 LEU 77 HD11 LEU 77 -12.418 -15.904 -9.206 540 HD12 LEU 77 HD12 LEU 77 -13.373 -17.295 -8.691 541 HD13 LEU 77 HD13 LEU 77 -14.168 -15.761 -9.044 542 HD21 LEU 77 HD21 LEU 77 -15.662 -17.168 -10.717 543 HD22 LEU 77 HD22 LEU 77 -14.706 -18.543 -10.170 544 HD23 LEU 77 HD23 LEU 77 -14.819 -18.182 -11.885 545 H TYR 78 H TYR 78 -16.040 -15.556 -13.882 546 HA TYR 78 HA TYR 78 -15.371 -13.365 -15.722 547 HB2 TYR 78 HB2 TYR 78 -16.895 -15.290 -16.379 548 HB3 TYR 78 HB3 TYR 78 -18.082 -14.626 -15.253 549 HD1 TYR 78 HD1 TYR 78 -15.893 -13.619 -18.132 550 HD2 TYR 78 HD2 TYR 78 -19.571 -12.969 -16.015 551 HE1 TYR 78 HE1 TYR 78 -16.612 -12.010 -19.876 552 HE2 TYR 78 HE2 TYR 78 -20.291 -11.355 -17.756 553 HH TYR 78 HH TYR 78 -18.120 -10.197 -20.191 554 H PHE 79 H PHE 79 -14.958 -11.657 -14.398 555 HA PHE 79 HA PHE 79 -16.642 -10.997 -12.146 556 HB2 PHE 79 HB2 PHE 79 -14.337 -9.535 -13.448 557 HB3 PHE 79 HB3 PHE 79 -15.155 -8.994 -11.982 558 HD1 PHE 79 HD1 PHE 79 -12.843 -11.441 -13.430 559 HD2 PHE 79 HD2 PHE 79 -15.008 -10.312 -9.896 560 HE1 PHE 79 HE1 PHE 79 -11.413 -12.946 -12.074 561 HE2 PHE 79 HE2 PHE 79 -13.579 -11.819 -8.541 562 HZ PHE 79 HZ PHE 79 -11.783 -13.133 -9.629 563 H THR 80 H THR 80 -18.216 -9.498 -12.009 564 HA THR 80 HA THR 80 -19.324 -8.379 -14.431 565 HB THR 80 HB THR 80 -20.033 -7.816 -11.528 566 HG1 THR 80 HG1 THR 80 -21.338 -9.493 -13.392 567 HG21 THR 80 HG21 THR 80 -20.926 -6.048 -12.878 568 HG22 THR 80 HG22 THR 80 -22.259 -7.168 -12.590 569 HG23 THR 80 HG23 THR 80 -21.421 -7.176 -14.141 570 H GLN 81 H GLN 81 -17.577 -7.208 -11.607 571 HA GLN 81 HA GLN 81 -16.018 -5.313 -12.872 572 HB2 GLN 81 HB2 GLN 81 -17.058 -3.165 -12.160 573 HB3 GLN 81 HB3 GLN 81 -18.039 -4.009 -13.358 574 HG2 GLN 81 HG2 GLN 81 -19.453 -4.921 -11.519 575 HG3 GLN 81 HG3 GLN 81 -18.488 -4.009 -10.353 576 HE21 GLN 81 HE21 GLN 81 -19.428 -2.051 -9.796 577 HE22 GLN 81 HE22 GLN 81 -20.423 -1.122 -10.810 578 H PHE 82 H PHE 82 -15.003 -3.763 -11.230 579 HA PHE 82 HA PHE 82 -15.229 -4.744 -8.480 580 HB2 PHE 82 HB2 PHE 82 -12.751 -4.921 -8.269 581 HB3 PHE 82 HB3 PHE 82 -13.424 -6.102 -9.394 582 HD1 PHE 82 HD1 PHE 82 -11.440 -2.999 -9.084 583 HD2 PHE 82 HD2 PHE 82 -13.034 -5.922 -11.796 584 HE1 PHE 82 HE1 PHE 82 -9.970 -2.135 -10.887 585 HE2 PHE 82 HE2 PHE 82 -11.565 -5.058 -13.594 586 HZ PHE 82 HZ PHE 82 -10.037 -3.167 -13.141 587 H LYS 83 H LYS 83 -14.621 -3.310 -6.883 588 HA LYS 83 HA LYS 83 -13.781 -0.598 -7.689 589 HB2 LYS 83 HB2 LYS 83 -16.176 -1.067 -5.869 590 HB3 LYS 83 HB3 LYS 83 -15.613 0.475 -6.514 591 HG2 LYS 83 HG2 LYS 83 -16.609 -1.801 -8.259 592 HG3 LYS 83 HG3 LYS 83 -17.649 -0.504 -7.680 593 HD2 LYS 83 HD2 LYS 83 -16.476 1.139 -8.923 594 HD3 LYS 83 HD3 LYS 83 -15.113 0.064 -9.237 595 HE2 LYS 83 HE2 LYS 83 -16.512 -1.373 -10.618 596 HE3 LYS 83 HE3 LYS 83 -17.936 -0.415 -10.245 597 HZ1 LYS 83 HZ1 LYS 83 -16.506 1.504 -11.210 598 HZ2 LYS 83 HZ2 LYS 83 -17.279 0.427 -12.275 599 HZ3 LYS 83 HZ3 LYS 83 -15.624 0.253 -11.940 600 H ALA 84 H ALA 84 -12.903 0.650 -5.926 601 HA ALA 84 HA ALA 84 -12.467 -0.750 -3.385 602 HB1 ALA 84 HB1 ALA 84 -10.075 -0.433 -3.431 603 HB2 ALA 84 HB2 ALA 84 -10.173 0.421 -4.971 604 HB3 ALA 84 HB3 ALA 84 -10.542 -1.302 -4.893 605 H GLU 85 H GLU 85 -12.124 0.600 -1.631 606 HA GLU 85 HA GLU 85 -11.828 3.470 -2.029 607 HB2 GLU 85 HB2 GLU 85 -13.930 4.037 -0.849 608 HB3 GLU 85 HB3 GLU 85 -14.242 3.143 -2.341 609 HG2 GLU 85 HG2 GLU 85 -14.481 1.043 -1.052 610 HG3 GLU 85 HG3 GLU 85 -14.174 1.935 0.443 611 H VAL 86 H VAL 86 -11.668 4.630 0.103 612 HA VAL 86 HA VAL 86 -10.813 2.828 2.293 613 HB VAL 86 HB VAL 86 -8.938 4.341 2.801 614 HG11 VAL 86 HG11 VAL 86 -8.620 2.329 1.377 615 HG12 VAL 86 HG12 VAL 86 -7.493 3.617 0.952 616 HG13 VAL 86 HG13 VAL 86 -8.908 3.315 -0.056 617 HG21 VAL 86 HG21 VAL 86 -9.961 5.764 0.331 618 HG22 VAL 86 HG22 VAL 86 -8.271 5.906 0.813 619 HG23 VAL 86 HG23 VAL 86 -9.544 6.451 1.899 620 H ARG 87 H ARG 87 -10.806 3.764 4.410 621 HA ARG 87 HA ARG 87 -12.540 6.138 4.702 622 HB2 ARG 87 HB2 ARG 87 -12.744 3.576 6.299 623 HB3 ARG 87 HB3 ARG 87 -13.652 5.052 6.628 624 HG2 ARG 87 HG2 ARG 87 -13.773 3.592 3.973 625 HG3 ARG 87 HG3 ARG 87 -14.914 3.299 5.283 626 HD2 ARG 87 HD2 ARG 87 -14.447 5.978 3.918 627 HD3 ARG 87 HD3 ARG 87 -15.826 4.916 3.656 628 HE ARG 87 HE ARG 87 -15.368 6.627 5.969 629 HH11 ARG 87 HH11 ARG 87 -17.150 3.890 4.689 630 HH12 ARG 87 HH12 ARG 87 -18.430 4.020 5.849 631 HH21 ARG 87 HH21 ARG 87 -17.056 6.763 7.473 632 HH22 ARG 87 HH22 ARG 87 -18.374 5.638 7.417 633 H GLY 88 H GLY 88 -12.217 7.435 6.487 634 HA2 GLY 88 HA2 GLY 88 -11.167 8.181 8.456 635 HA3 GLY 88 HA3 GLY 88 -10.057 6.818 8.355 636 H ALA 89 H ALA 89 -9.921 7.865 5.316 637 HA ALA 89 HA ALA 89 -8.228 10.206 5.638 638 HB1 ALA 89 HB1 ALA 89 -6.365 8.928 5.840 639 HB2 ALA 89 HB2 ALA 89 -6.541 8.675 4.107 640 HB3 ALA 89 HB3 ALA 89 -7.173 7.483 5.243 641 H GLU 90 H GLU 90 -7.425 10.952 3.464 642 HA GLU 90 HA GLU 90 -9.511 10.460 1.433 643 HB2 GLU 90 HB2 GLU 90 -8.828 12.641 0.467 644 HB3 GLU 90 HB3 GLU 90 -9.359 12.801 2.141 645 HG2 GLU 90 HG2 GLU 90 -6.993 12.781 2.890 646 HG3 GLU 90 HG3 GLU 90 -6.465 12.636 1.214 647 H ILE 91 H ILE 91 -9.014 9.839 -0.611 648 HA ILE 91 HA ILE 91 -6.486 8.506 -0.974 649 HB ILE 91 HB ILE 91 -8.805 8.862 -2.919 650 HG12 ILE 91 HG12 ILE 91 -8.084 6.445 -1.219 651 HG13 ILE 91 HG13 ILE 91 -9.253 7.658 -0.699 652 HG21 ILE 91 HG21 ILE 91 -6.813 8.255 -4.165 653 HG22 ILE 91 HG22 ILE 91 -7.757 6.779 -3.971 654 HG23 ILE 91 HG23 ILE 91 -6.348 7.064 -2.950 655 HD11 ILE 91 HD11 ILE 91 -9.510 6.228 -3.356 656 HD12 ILE 91 HD12 ILE 91 -10.744 7.143 -2.488 657 HD13 ILE 91 HD13 ILE 91 -10.209 5.580 -1.872 658 H GLU 92 H GLU 92 -4.705 9.338 -1.761 659 HA GLU 92 HA GLU 92 -4.690 11.944 -3.043 660 HB2 GLU 92 HB2 GLU 92 -2.439 10.022 -2.396 661 HB3 GLU 92 HB3 GLU 92 -2.232 11.647 -3.050 662 HG2 GLU 92 HG2 GLU 92 -3.359 12.590 -1.052 663 HG3 GLU 92 HG3 GLU 92 -3.538 10.961 -0.399 664 H TYR 93 H TYR 93 -4.090 8.550 -3.875 665 HA TYR 93 HA TYR 93 -4.704 9.042 -6.633 666 HB2 TYR 93 HB2 TYR 93 -2.208 9.679 -6.249 667 HB3 TYR 93 HB3 TYR 93 -1.947 7.939 -6.161 668 HD1 TYR 93 HD1 TYR 93 -3.204 10.685 -8.320 669 HD2 TYR 93 HD2 TYR 93 -2.025 6.560 -8.133 670 HE1 TYR 93 HE1 TYR 93 -3.254 10.564 -10.795 671 HE2 TYR 93 HE2 TYR 93 -2.074 6.435 -10.614 672 HH TYR 93 HH TYR 93 -2.445 9.287 -12.591 673 H ALA 94 H ALA 94 -5.565 7.262 -7.497 674 HA ALA 94 HA ALA 94 -4.962 4.623 -6.311 675 HB1 ALA 94 HB1 ALA 94 -7.694 5.701 -7.047 676 HB2 ALA 94 HB2 ALA 94 -7.124 5.285 -5.430 677 HB3 ALA 94 HB3 ALA 94 -7.358 4.018 -6.636 678 H MET 95 H MET 95 -4.587 3.048 -7.745 679 HA MET 95 HA MET 95 -5.526 3.172 -10.471 680 HB2 MET 95 HB2 MET 95 -3.334 3.201 -11.527 681 HB3 MET 95 HB3 MET 95 -3.544 4.654 -10.560 682 HG2 MET 95 HG2 MET 95 -1.501 4.114 -9.705 683 HG3 MET 95 HG3 MET 95 -2.381 2.949 -8.721 684 HE1 MET 95 HE1 MET 95 0.185 2.341 -12.405 685 HE2 MET 95 HE2 MET 95 -0.432 3.827 -11.691 686 HE3 MET 95 HE3 MET 95 -1.478 2.860 -12.726 687 H ALA 96 H ALA 96 -4.512 1.283 -11.752 688 HA ALA 96 HA ALA 96 -3.857 -0.983 -10.034 689 HB1 ALA 96 HB1 ALA 96 -6.316 -0.767 -11.750 690 HB2 ALA 96 HB2 ALA 96 -6.178 -1.311 -10.080 691 HB3 ALA 96 HB3 ALA 96 -5.595 -2.334 -11.391 692 H TYR 97 H TYR 97 -3.065 -2.859 -11.241 693 HA TYR 97 HA TYR 97 -1.904 -2.081 -13.865 694 HB2 TYR 97 HB2 TYR 97 -0.805 -3.901 -11.739 695 HB3 TYR 97 HB3 TYR 97 -0.086 -3.705 -13.335 696 HD1 TYR 97 HD1 TYR 97 -0.381 -2.322 -10.005 697 HD2 TYR 97 HD2 TYR 97 0.661 -1.381 -14.067 698 HE1 TYR 97 HE1 TYR 97 0.828 -0.300 -9.227 699 HE2 TYR 97 HE2 TYR 97 1.868 0.641 -13.288 700 HH TYR 97 HH TYR 97 2.858 1.555 -11.349 701 H SER 98 H SER 98 -3.069 -3.011 -15.444 702 HA SER 98 HA SER 98 -4.517 -5.455 -15.228 703 HB2 SER 98 HB2 SER 98 -3.517 -3.949 -17.655 704 HB3 SER 98 HB3 SER 98 -4.596 -5.340 -17.724 705 HG SER 98 HG SER 98 -5.850 -3.513 -17.694 706 H LYS 99 H LYS 99 -1.335 -4.625 -16.507 707 HA LYS 99 HA LYS 99 -0.492 -7.424 -16.289 708 HB2 LYS 99 HB2 LYS 99 -1.276 -7.135 -18.628 709 HB3 LYS 99 HB3 LYS 99 -0.168 -5.782 -18.824 710 HG2 LYS 99 HG2 LYS 99 0.896 -7.736 -19.786 711 HG3 LYS 99 HG3 LYS 99 1.737 -7.369 -18.278 712 HD2 LYS 99 HD2 LYS 99 0.466 -9.112 -17.110 713 HD3 LYS 99 HD3 LYS 99 -0.469 -9.435 -18.570 714 HE2 LYS 99 HE2 LYS 99 1.596 -10.099 -19.749 715 HE3 LYS 99 HE3 LYS 99 2.531 -9.784 -18.290 716 HZ1 LYS 99 HZ1 LYS 99 1.474 -11.530 -17.161 717 HZ2 LYS 99 HZ2 LYS 99 1.832 -12.160 -18.697 718 HZ3 LYS 99 HZ3 LYS 99 0.249 -11.669 -18.324 719 H ALA 100 H ALA 100 1.549 -7.627 -15.597 720 HA ALA 100 HA ALA 100 3.041 -5.240 -14.885 721 HB1 ALA 100 HB1 ALA 100 4.688 -7.062 -14.035 722 HB2 ALA 100 HB2 ALA 100 3.363 -8.181 -14.351 723 HB3 ALA 100 HB3 ALA 100 3.149 -6.863 -13.198 724 H ALA 101 H ALA 101 5.106 -4.719 -15.638 725 HA ALA 101 HA ALA 101 5.602 -4.940 -18.348 726 HB1 ALA 101 HB1 ALA 101 7.423 -4.373 -16.023 727 HB2 ALA 101 HB2 ALA 101 6.778 -3.247 -17.217 728 HB3 ALA 101 HB3 ALA 101 8.032 -4.396 -17.677 729 H PHE 102 H PHE 102 6.452 -6.405 -19.659 730 HA PHE 102 HA PHE 102 7.236 -8.994 -18.586 731 HB2 PHE 102 HB2 PHE 102 5.683 -8.822 -20.533 732 HB3 PHE 102 HB3 PHE 102 6.982 -8.086 -21.472 733 HD1 PHE 102 HD1 PHE 102 5.937 -11.177 -19.680 734 HD2 PHE 102 HD2 PHE 102 8.734 -9.422 -22.428 735 HE1 PHE 102 HE1 PHE 102 6.799 -13.432 -20.242 736 HE2 PHE 102 HE2 PHE 102 9.596 -11.678 -22.990 737 HZ PHE 102 HZ PHE 102 8.628 -13.684 -21.898 738 H GLU 103 H GLU 103 9.266 -9.646 -18.341 739 HA GLU 103 HA GLU 103 11.533 -9.750 -18.398 740 HB2 GLU 103 HB2 GLU 103 11.092 -9.824 -20.918 741 HB3 GLU 103 HB3 GLU 103 11.486 -8.104 -20.940 742 HG2 GLU 103 HG2 GLU 103 13.693 -8.568 -20.000 743 HG3 GLU 103 HG3 GLU 103 13.302 -10.285 -19.874 744 H ARG 104 H ARG 104 11.189 -6.504 -19.889 745 HA ARG 104 HA ARG 104 12.180 -5.312 -17.386 746 HB2 ARG 104 HB2 ARG 104 13.323 -4.825 -20.141 747 HB3 ARG 104 HB3 ARG 104 13.698 -3.849 -18.716 748 HG2 ARG 104 HG2 ARG 104 14.590 -5.813 -17.566 749 HG3 ARG 104 HG3 ARG 104 14.145 -6.841 -18.931 750 HD2 ARG 104 HD2 ARG 104 16.501 -6.306 -19.096 751 HD3 ARG 104 HD3 ARG 104 15.646 -5.488 -20.392 752 HE ARG 104 HE ARG 104 16.706 -4.211 -17.933 753 HH11 ARG 104 HH11 ARG 104 15.406 -3.838 -21.206 754 HH12 ARG 104 HH12 ARG 104 15.813 -2.162 -21.279 755 HH21 ARG 104 HH21 ARG 104 17.204 -2.025 -18.112 756 HH22 ARG 104 HH22 ARG 104 16.814 -1.145 -19.553 757 H GLU 105 H GLU 105 10.078 -5.152 -20.115 758 HA GLU 105 HA GLU 105 8.956 -2.605 -19.173 759 HB2 GLU 105 HB2 GLU 105 9.758 -2.994 -22.065 760 HB3 GLU 105 HB3 GLU 105 8.998 -1.565 -21.366 761 HG2 GLU 105 HG2 GLU 105 11.020 -1.387 -19.826 762 HG3 GLU 105 HG3 GLU 105 11.775 -2.637 -20.805 763 H SER 106 H SER 106 7.013 -1.984 -20.573 764 HA SER 106 HA SER 106 5.078 -2.470 -21.734 765 HB2 SER 106 HB2 SER 106 4.649 -4.488 -22.771 766 HB3 SER 106 HB3 SER 106 6.378 -4.664 -22.453 767 HG SER 106 HG SER 106 5.366 -6.495 -21.694 768 H ASP 107 H ASP 107 5.196 -1.748 -19.119 769 HA ASP 107 HA ASP 107 3.298 -3.362 -17.601 770 HB2 ASP 107 HB2 ASP 107 5.151 -2.180 -16.456 771 HB3 ASP 107 HB3 ASP 107 4.478 -0.640 -16.987 772 H VAL 108 H VAL 108 1.188 -3.247 -18.074 773 HA VAL 108 HA VAL 108 0.121 -0.754 -19.252 774 HB VAL 108 HB VAL 108 -1.029 -3.568 -19.308 775 HG11 VAL 108 HG11 VAL 108 -1.926 -1.022 -20.713 776 HG12 VAL 108 HG12 VAL 108 -2.801 -1.858 -19.429 777 HG13 VAL 108 HG13 VAL 108 -2.593 -2.630 -21.000 778 HG21 VAL 108 HG21 VAL 108 -0.454 -3.347 -21.776 779 HG22 VAL 108 HG22 VAL 108 0.940 -3.457 -20.702 780 HG23 VAL 108 HG23 VAL 108 0.456 -1.894 -21.362 781 HA PRO 109 HA PRO 109 -2.102 -0.511 -15.187 782 HB2 PRO 109 HB2 PRO 109 -2.458 2.113 -15.050 783 HB3 PRO 109 HB3 PRO 109 -0.834 1.415 -14.847 784 HG2 PRO 109 HG2 PRO 109 -2.038 2.703 -17.258 785 HG3 PRO 109 HG3 PRO 109 -0.426 2.928 -16.549 786 HD2 PRO 109 HD2 PRO 109 -0.927 1.265 -18.695 787 HD3 PRO 109 HD3 PRO 109 0.436 1.050 -17.572 788 H LEU 110 H LEU 110 -4.323 -0.137 -14.610 789 HA LEU 110 HA LEU 110 -6.232 -0.189 -16.779 790 HB2 LEU 110 HB2 LEU 110 -6.530 -0.222 -13.776 791 HB3 LEU 110 HB3 LEU 110 -7.931 -0.054 -14.836 792 HG LEU 110 HG LEU 110 -5.921 -2.311 -15.100 793 HD11 LEU 110 HD11 LEU 110 -7.859 -3.660 -14.039 794 HD12 LEU 110 HD12 LEU 110 -8.456 -2.104 -13.468 795 HD13 LEU 110 HD13 LEU 110 -6.873 -2.681 -12.961 796 HD21 LEU 110 HD21 LEU 110 -7.192 -2.023 -17.127 797 HD22 LEU 110 HD22 LEU 110 -8.682 -1.730 -16.232 798 HD23 LEU 110 HD23 LEU 110 -7.981 -3.347 -16.269 799 H LYS 111 H LYS 111 -7.915 1.301 -17.160 800 HA LYS 111 HA LYS 111 -7.112 4.000 -17.233 801 HB2 LYS 111 HB2 LYS 111 -8.690 2.840 -18.834 802 HB3 LYS 111 HB3 LYS 111 -9.917 2.929 -17.571 803 HG2 LYS 111 HG2 LYS 111 -9.899 5.304 -17.578 804 HG3 LYS 111 HG3 LYS 111 -8.450 5.371 -18.604 805 HD2 LYS 111 HD2 LYS 111 -9.801 4.160 -20.387 806 HD3 LYS 111 HD3 LYS 111 -11.218 4.388 -19.363 807 HE2 LYS 111 HE2 LYS 111 -10.936 6.820 -19.461 808 HE3 LYS 111 HE3 LYS 111 -9.473 6.629 -20.424 809 HZ1 LYS 111 HZ1 LYS 111 -11.254 7.065 -21.906 810 HZ2 LYS 111 HZ2 LYS 111 -12.241 5.881 -21.190 811 HZ3 LYS 111 HZ3 LYS 111 -10.868 5.424 -22.077 812 H THR 112 H THR 112 -7.439 5.644 -15.889 813 HA THR 112 HA THR 112 -8.225 5.276 -13.208 814 HB THR 112 HB THR 112 -8.033 7.858 -14.808 815 HG1 THR 112 HG1 THR 112 -6.003 7.363 -14.741 816 HG21 THR 112 HG21 THR 112 -7.974 7.356 -11.813 817 HG22 THR 112 HG22 THR 112 -9.267 8.166 -12.698 818 HG23 THR 112 HG23 THR 112 -7.671 8.909 -12.593 819 H GLU 113 H GLU 113 -9.961 6.421 -16.043 820 HA GLU 113 HA GLU 113 -12.360 7.197 -14.675 821 HB2 GLU 113 HB2 GLU 113 -11.748 6.668 -17.565 822 HB3 GLU 113 HB3 GLU 113 -13.331 7.183 -16.992 823 HG2 GLU 113 HG2 GLU 113 -12.321 9.184 -15.969 824 HG3 GLU 113 HG3 GLU 113 -10.730 8.684 -16.531 825 H GLU 114 H GLU 114 -11.176 4.182 -14.905 826 HA GLU 114 HA GLU 114 -13.297 2.598 -15.887 827 HB2 GLU 114 HB2 GLU 114 -10.993 1.749 -15.472 828 HB3 GLU 114 HB3 GLU 114 -11.273 1.894 -13.735 829 HG2 GLU 114 HG2 GLU 114 -13.142 0.289 -13.885 830 HG3 GLU 114 HG3 GLU 114 -12.914 0.167 -15.628 831 H PHE 115 H PHE 115 -12.673 4.035 -12.739 832 HA PHE 115 HA PHE 115 -15.441 3.609 -11.935 833 HB2 PHE 115 HB2 PHE 115 -14.912 2.541 -9.792 834 HB3 PHE 115 HB3 PHE 115 -14.396 1.524 -11.134 835 HD1 PHE 115 HD1 PHE 115 -13.264 3.643 -8.362 836 HD2 PHE 115 HD2 PHE 115 -12.010 1.260 -11.703 837 HE1 PHE 115 HE1 PHE 115 -10.937 3.652 -7.494 838 HE2 PHE 115 HE2 PHE 115 -9.686 1.267 -10.838 839 HZ PHE 115 HZ PHE 115 -9.150 2.463 -8.733 840 H GLU 116 H GLU 116 -15.988 4.704 -9.887 841 HA GLU 116 HA GLU 116 -14.330 7.127 -9.511 842 HB2 GLU 116 HB2 GLU 116 -16.447 7.584 -10.675 843 HB3 GLU 116 HB3 GLU 116 -17.342 6.834 -9.356 844 HG2 GLU 116 HG2 GLU 116 -17.378 9.272 -9.088 845 HG3 GLU 116 HG3 GLU 116 -16.441 8.544 -7.788 846 H VAL 117 H VAL 117 -13.652 7.576 -7.524 847 HA VAL 117 HA VAL 117 -15.009 6.366 -5.196 848 HB VAL 117 HB VAL 117 -12.808 6.051 -4.102 849 HG11 VAL 117 HG11 VAL 117 -13.312 4.671 -6.735 850 HG12 VAL 117 HG12 VAL 117 -13.723 4.108 -5.118 851 HG13 VAL 117 HG13 VAL 117 -12.037 4.155 -5.633 852 HG21 VAL 117 HG21 VAL 117 -10.737 6.207 -5.418 853 HG22 VAL 117 HG22 VAL 117 -11.561 7.765 -5.452 854 HG23 VAL 117 HG23 VAL 117 -11.652 6.690 -6.847 855 H THR 118 H THR 118 -15.075 7.614 -3.357 856 HA THR 118 HA THR 118 -13.872 10.286 -3.406 857 HB THR 118 HB THR 118 -16.808 9.903 -2.795 858 HG1 THR 118 HG1 THR 118 -17.182 10.676 -4.836 859 HG21 THR 118 HG21 THR 118 -15.824 11.852 -1.730 860 HG22 THR 118 HG22 THR 118 -16.794 12.387 -3.096 861 HG23 THR 118 HG23 THR 118 -15.038 12.322 -3.236 862 H LYS 119 H LYS 119 -13.823 11.308 -1.319 863 HA LYS 119 HA LYS 119 -13.113 9.587 0.787 864 HB2 LYS 119 HB2 LYS 119 -13.005 11.600 2.173 865 HB3 LYS 119 HB3 LYS 119 -12.291 11.899 0.590 866 HG2 LYS 119 HG2 LYS 119 -14.398 12.963 -0.163 867 HG3 LYS 119 HG3 LYS 119 -15.101 12.682 1.433 868 HD2 LYS 119 HD2 LYS 119 -13.343 14.067 2.462 869 HD3 LYS 119 HD3 LYS 119 -12.629 14.348 0.873 870 HE2 LYS 119 HE2 LYS 119 -14.709 15.430 0.119 871 HE3 LYS 119 HE3 LYS 119 -15.436 15.146 1.700 872 HZ1 LYS 119 HZ1 LYS 119 -13.776 16.526 2.717 873 HZ2 LYS 119 HZ2 LYS 119 -14.510 17.395 1.452 874 HZ3 LYS 119 HZ3 LYS 119 -12.962 16.724 1.241 875 H THR 120 H THR 120 -16.221 10.717 -0.212 876 HA THR 120 HA THR 120 -17.456 9.294 2.024 877 HB THR 120 HB THR 120 -17.322 11.630 2.738 878 HG1 THR 120 HG1 THR 120 -19.978 11.000 1.976 879 HG21 THR 120 HG21 THR 120 -18.425 13.416 1.547 880 HG22 THR 120 HG22 THR 120 -19.078 12.288 0.357 881 HG23 THR 120 HG23 THR 120 -17.344 12.601 0.416 882 H ALA 121 H ALA 121 -17.159 9.048 -1.040 883 HA ALA 121 HA ALA 121 -19.900 8.172 -1.519 884 HB1 ALA 121 HB1 ALA 121 -18.729 9.867 -3.681 885 HB2 ALA 121 HB2 ALA 121 -19.491 10.669 -2.308 886 HB3 ALA 121 HB3 ALA 121 -20.420 9.544 -3.297 887 H VAL 122 H VAL 122 -20.119 6.654 -3.128 888 HA VAL 122 HA VAL 122 -17.644 5.638 -4.389 889 HB VAL 122 HB VAL 122 -19.791 3.961 -3.029 890 HG11 VAL 122 HG11 VAL 122 -18.114 2.098 -3.484 891 HG12 VAL 122 HG12 VAL 122 -17.298 3.221 -4.575 892 HG13 VAL 122 HG13 VAL 122 -18.960 2.726 -4.900 893 HG21 VAL 122 HG21 VAL 122 -18.126 5.220 -1.558 894 HG22 VAL 122 HG22 VAL 122 -16.869 4.222 -2.288 895 HG23 VAL 122 HG23 VAL 122 -18.164 3.470 -1.351 896 H ALA 123 H ALA 123 -17.862 5.251 -6.550 897 HA ALA 123 HA ALA 123 -20.479 4.601 -7.616 898 HB1 ALA 123 HB1 ALA 123 -20.107 6.426 -9.429 899 HB2 ALA 123 HB2 ALA 123 -19.058 7.170 -8.219 900 HB3 ALA 123 HB3 ALA 123 -20.761 6.895 -7.859 901 H HIS 124 H HIS 124 -20.440 3.885 -9.819 902 HA HIS 124 HA HIS 124 -17.817 2.879 -10.702 903 HB2 HIS 124 HB2 HIS 124 -19.041 0.982 -11.717 904 HB3 HIS 124 HB3 HIS 124 -19.351 1.083 -9.983 905 HD2 HIS 124 HD2 HIS 124 -21.340 1.080 -13.285 906 HE1 HIS 124 HE1 HIS 124 -24.045 2.231 -10.255 907 HE2 HIS 124 HE2 HIS 124 -23.842 1.512 -12.682 908 H ARG 125 H ARG 125 -17.169 3.341 -12.734 909 HA ARG 125 HA ARG 125 -18.675 5.331 -14.176 910 HB2 ARG 125 HB2 ARG 125 -15.955 4.118 -14.629 911 HB3 ARG 125 HB3 ARG 125 -16.632 5.386 -15.644 912 HG2 ARG 125 HG2 ARG 125 -16.385 5.682 -12.638 913 HG3 ARG 125 HG3 ARG 125 -15.105 6.177 -13.749 914 HD2 ARG 125 HD2 ARG 125 -16.761 7.639 -14.931 915 HD3 ARG 125 HD3 ARG 125 -17.958 7.223 -13.708 916 HE ARG 125 HE ARG 125 -15.637 8.197 -12.417 917 HH11 ARG 125 HH11 ARG 125 -18.262 9.372 -14.438 918 HH12 ARG 125 HH12 ARG 125 -18.190 10.984 -13.808 919 HH21 ARG 125 HH21 ARG 125 -15.571 10.327 -11.631 920 HH22 ARG 125 HH22 ARG 125 -16.678 11.516 -12.230 921 HA PRO 126 HA PRO 126 -20.560 2.640 -17.289 922 HB2 PRO 126 HB2 PRO 126 -19.916 4.791 -19.252 923 HB3 PRO 126 HB3 PRO 126 -21.479 4.034 -18.870 924 HG2 PRO 126 HG2 PRO 126 -20.972 6.481 -18.057 925 HG3 PRO 126 HG3 PRO 126 -21.799 5.332 -16.983 926 HD2 PRO 126 HD2 PRO 126 -18.923 6.206 -16.928 927 HD3 PRO 126 HD3 PRO 126 -20.061 5.958 -15.577 928 H GLY 127 H GLY 127 -19.868 1.169 -18.843 929 HA2 GLY 127 HA2 GLY 127 -18.466 0.119 -20.365 930 HA3 GLY 127 HA3 GLY 127 -17.452 1.560 -20.367 931 H ALA 128 H ALA 128 -18.109 0.350 -17.218 932 HA ALA 128 HA ALA 128 -15.453 -0.080 -16.524 933 HB1 ALA 128 HB1 ALA 128 -17.923 -1.301 -15.274 934 HB2 ALA 128 HB2 ALA 128 -17.221 0.265 -14.864 935 HB3 ALA 128 HB3 ALA 128 -16.328 -1.218 -14.527 936 H PHE 129 H PHE 129 -14.190 -1.892 -16.273 937 HA PHE 129 HA PHE 129 -14.493 -3.903 -18.269 938 HB2 PHE 129 HB2 PHE 129 -12.515 -3.559 -16.015 939 HB3 PHE 129 HB3 PHE 129 -12.434 -4.873 -17.189 940 HD1 PHE 129 HD1 PHE 129 -12.106 -1.240 -16.692 941 HD2 PHE 129 HD2 PHE 129 -11.907 -4.449 -19.538 942 HE1 PHE 129 HE1 PHE 129 -10.984 0.268 -18.311 943 HE2 PHE 129 HE2 PHE 129 -10.784 -2.943 -21.157 944 HZ PHE 129 HZ PHE 129 -10.323 -0.585 -20.546 945 H LYS 130 H LYS 130 -14.850 -6.082 -18.096 946 HA LYS 130 HA LYS 130 -15.878 -7.077 -15.508 947 HB2 LYS 130 HB2 LYS 130 -17.537 -8.460 -16.888 948 HB3 LYS 130 HB3 LYS 130 -17.874 -6.736 -16.738 949 HG2 LYS 130 HG2 LYS 130 -16.296 -6.910 -19.094 950 HG3 LYS 130 HG3 LYS 130 -17.301 -8.354 -19.149 951 HD2 LYS 130 HD2 LYS 130 -18.506 -5.640 -18.580 952 HD3 LYS 130 HD3 LYS 130 -18.231 -6.189 -20.230 953 HE2 LYS 130 HE2 LYS 130 -19.668 -8.061 -18.367 954 HE3 LYS 130 HE3 LYS 130 -20.540 -6.658 -18.976 955 HZ1 LYS 130 HZ1 LYS 130 -19.483 -7.464 -21.225 956 HZ2 LYS 130 HZ2 LYS 130 -20.945 -8.104 -20.644 957 HZ3 LYS 130 HZ3 LYS 130 -19.495 -8.962 -20.433 958 H ALA 131 H ALA 131 -14.865 -8.163 -18.757 959 HA ALA 131 HA ALA 131 -14.059 -10.768 -17.830 960 HB1 ALA 131 HB1 ALA 131 -13.430 -9.406 -20.454 961 HB2 ALA 131 HB2 ALA 131 -14.879 -10.357 -20.131 962 HB3 ALA 131 HB3 ALA 131 -13.294 -11.128 -20.103 963 H GLU 132 H GLU 132 -12.525 -7.688 -17.905 964 HA GLU 132 HA GLU 132 -9.812 -8.607 -18.164 965 HB2 GLU 132 HB2 GLU 132 -10.747 -6.285 -18.758 966 HB3 GLU 132 HB3 GLU 132 -10.670 -5.954 -17.026 967 HG2 GLU 132 HG2 GLU 132 -8.238 -7.038 -18.441 968 HG3 GLU 132 HG3 GLU 132 -8.625 -5.327 -18.545 969 H LEU 133 H LEU 133 -8.351 -9.085 -16.625 970 HA LEU 133 HA LEU 133 -9.206 -8.967 -13.790 971 HB2 LEU 133 HB2 LEU 133 -7.654 -10.887 -13.412 972 HB3 LEU 133 HB3 LEU 133 -9.011 -11.292 -14.457 973 HG LEU 133 HG LEU 133 -6.493 -10.316 -15.821 974 HD11 LEU 133 HD11 LEU 133 -5.364 -12.409 -15.710 975 HD12 LEU 133 HD12 LEU 133 -6.719 -13.175 -14.882 976 HD13 LEU 133 HD13 LEU 133 -5.748 -11.962 -14.048 977 HD21 LEU 133 HD21 LEU 133 -7.184 -11.898 -17.537 978 HD22 LEU 133 HD22 LEU 133 -8.603 -10.971 -17.055 979 HD23 LEU 133 HD23 LEU 133 -8.379 -12.613 -16.456 980 H SER 134 H SER 134 -7.831 -8.003 -12.310 981 HA SER 134 HA SER 134 -5.099 -7.367 -13.003 982 HB2 SER 134 HB2 SER 134 -6.358 -5.664 -14.270 983 HB3 SER 134 HB3 SER 134 -7.153 -5.168 -12.782 984 HG SER 134 HG SER 134 -5.169 -3.996 -13.526 985 H LYS 135 H LYS 135 -4.221 -5.683 -11.368 986 HA LYS 135 HA LYS 135 -5.200 -6.351 -8.651 987 HB2 LYS 135 HB2 LYS 135 -2.851 -5.858 -7.909 988 HB3 LYS 135 HB3 LYS 135 -2.985 -7.312 -8.902 989 HG2 LYS 135 HG2 LYS 135 -2.255 -5.979 -10.885 990 HG3 LYS 135 HG3 LYS 135 -2.110 -4.554 -9.857 991 HD2 LYS 135 HD2 LYS 135 0.097 -5.430 -9.994 992 HD3 LYS 135 HD3 LYS 135 -0.500 -5.950 -8.416 993 HE2 LYS 135 HE2 LYS 135 -1.092 -8.153 -9.354 994 HE3 LYS 135 HE3 LYS 135 -0.520 -7.635 -10.941 995 HZ1 LYS 135 HZ1 LYS 135 1.629 -7.090 -9.572 996 HZ2 LYS 135 HZ2 LYS 135 1.335 -8.660 -10.153 997 HZ3 LYS 135 HZ3 LYS 135 1.013 -8.276 -8.530 998 H LEU 136 H LEU 136 -5.347 -4.686 -7.156 999 HA LEU 136 HA LEU 136 -5.221 -1.962 -8.311 1000 HB2 LEU 136 HB2 LEU 136 -6.957 -2.967 -6.060 1001 HB3 LEU 136 HB3 LEU 136 -6.940 -1.328 -6.706 1002 HG LEU 136 HG LEU 136 -7.389 -2.667 -9.035 1003 HD11 LEU 136 HD11 LEU 136 -8.848 -4.379 -7.004 1004 HD12 LEU 136 HD12 LEU 136 -7.355 -4.889 -7.787 1005 HD13 LEU 136 HD13 LEU 136 -8.797 -4.591 -8.751 1006 HD21 LEU 136 HD21 LEU 136 -8.807 -0.889 -7.784 1007 HD22 LEU 136 HD22 LEU 136 -9.714 -2.254 -7.134 1008 HD23 LEU 136 HD23 LEU 136 -9.654 -1.982 -8.873 1009 H VAL 137 H VAL 137 -4.459 -0.248 -7.146 1010 HA VAL 137 HA VAL 137 -3.248 -0.727 -4.530 1011 HB VAL 137 HB VAL 137 -1.418 -1.063 -6.171 1012 HG11 VAL 137 HG11 VAL 137 -0.672 0.750 -7.615 1013 HG12 VAL 137 HG12 VAL 137 -1.964 1.790 -7.020 1014 HG13 VAL 137 HG13 VAL 137 -2.353 0.357 -7.972 1015 HG21 VAL 137 HG21 VAL 137 -1.086 0.124 -3.915 1016 HG22 VAL 137 HG22 VAL 137 -1.036 1.629 -4.833 1017 HG23 VAL 137 HG23 VAL 137 0.176 0.381 -5.121 1018 H ILE 138 H ILE 138 -3.859 0.811 -3.183 1019 HA ILE 138 HA ILE 138 -4.742 3.430 -4.251 1020 HB ILE 138 HB ILE 138 -5.927 1.919 -1.889 1021 HG12 ILE 138 HG12 ILE 138 -7.993 1.955 -3.557 1022 HG13 ILE 138 HG13 ILE 138 -6.747 2.138 -4.798 1023 HG21 ILE 138 HG21 ILE 138 -7.735 3.700 -2.150 1024 HG22 ILE 138 HG22 ILE 138 -6.632 4.546 -3.233 1025 HG23 ILE 138 HG23 ILE 138 -6.184 4.287 -1.548 1026 HD11 ILE 138 HD11 ILE 138 -5.871 0.007 -4.385 1027 HD12 ILE 138 HD12 ILE 138 -7.586 -0.261 -4.095 1028 HD13 ILE 138 HD13 ILE 138 -6.490 -0.047 -2.733 1029 H VAL 139 H VAL 139 -3.766 5.162 -3.426 1030 HA VAL 139 HA VAL 139 -2.302 4.913 -0.848 1031 HB VAL 139 HB VAL 139 -1.628 6.686 -3.237 1032 HG11 VAL 139 HG11 VAL 139 0.411 7.250 -1.965 1033 HG12 VAL 139 HG12 VAL 139 -0.157 6.270 -0.612 1034 HG13 VAL 139 HG13 VAL 139 -1.037 7.725 -1.076 1035 HG21 VAL 139 HG21 VAL 139 0.378 5.252 -3.446 1036 HG22 VAL 139 HG22 VAL 139 -1.093 4.297 -3.625 1037 HG23 VAL 139 HG23 VAL 139 -0.192 4.253 -2.109 1038 H ALA 140 H ALA 140 -3.124 6.128 0.726 1039 HA ALA 140 HA ALA 140 -4.626 8.581 0.035 1040 HB1 ALA 140 HB1 ALA 140 -5.592 7.031 2.372 1041 HB2 ALA 140 HB2 ALA 140 -5.900 6.324 0.788 1042 HB3 ALA 140 HB3 ALA 140 -6.496 7.937 1.159 1043 H LYS 141 H LYS 141 -4.536 10.263 1.483 1044 HA LYS 141 HA LYS 141 -2.350 10.137 3.435 1045 HB2 LYS 141 HB2 LYS 141 -3.157 12.092 1.532 1046 HB3 LYS 141 HB3 LYS 141 -3.514 12.802 3.096 1047 HG2 LYS 141 HG2 LYS 141 -1.118 12.096 3.766 1048 HG3 LYS 141 HG3 LYS 141 -0.854 11.821 2.044 1049 HD2 LYS 141 HD2 LYS 141 -0.135 14.049 2.354 1050 HD3 LYS 141 HD3 LYS 141 -1.764 14.230 1.710 1051 HE2 LYS 141 HE2 LYS 141 -1.545 15.724 3.601 1052 HE3 LYS 141 HE3 LYS 141 -2.604 14.402 4.084 1053 HZ1 LYS 141 HZ1 LYS 141 -1.221 14.200 5.806 1054 HZ2 LYS 141 HZ2 LYS 141 -0.001 15.125 5.072 1055 HZ3 LYS 141 HZ3 LYS 141 -0.138 13.468 4.727 1056 H ALA 142 H ALA 142 -2.605 10.893 5.577 1057 HA ALA 142 HA ALA 142 -4.991 10.129 6.876 1058 HB1 ALA 142 HB1 ALA 142 -2.736 11.884 7.876 1059 HB2 ALA 142 HB2 ALA 142 -2.831 10.131 8.029 1060 HB3 ALA 142 HB3 ALA 142 -3.985 11.155 8.886 1061 H SER 143 H SER 143 -6.740 11.265 7.619 1062 HA SER 143 HA SER 143 -6.798 14.181 7.266 1063 HB2 SER 143 HB2 SER 143 -7.805 12.713 5.267 1064 HB3 SER 143 HB3 SER 143 -9.216 12.739 6.317 1065 HG SER 143 HG SER 143 -8.396 14.624 4.700 1066 H ARG 144 H ARG 144 -7.025 11.945 9.475 1067 HA ARG 144 HA ARG 144 -9.199 13.296 10.935 1068 HB2 ARG 144 HB2 ARG 144 -10.048 11.133 10.001 1069 HB3 ARG 144 HB3 ARG 144 -8.802 10.291 10.924 1070 HG2 ARG 144 HG2 ARG 144 -9.739 11.322 13.015 1071 HG3 ARG 144 HG3 ARG 144 -11.059 11.985 12.048 1072 HD2 ARG 144 HD2 ARG 144 -10.378 9.040 12.268 1073 HD3 ARG 144 HD3 ARG 144 -11.680 9.838 13.141 1074 HE ARG 144 HE ARG 144 -11.635 9.171 10.294 1075 HH11 ARG 144 HH11 ARG 144 -13.238 10.975 12.852 1076 HH12 ARG 144 HH12 ARG 144 -14.716 11.147 11.965 1077 HH21 ARG 144 HH21 ARG 144 -13.586 9.416 9.182 1078 HH22 ARG 144 HH22 ARG 144 -14.910 10.267 9.902 1079 H THR 145 H THR 145 -8.533 13.994 12.869 1080 HA THR 145 HA THR 145 -6.474 12.503 14.332 1081 HB THR 145 HB THR 145 -6.403 15.518 13.993 1082 HG1 THR 145 HG1 THR 145 -4.825 15.186 12.542 1083 HG21 THR 145 HG21 THR 145 -5.503 14.557 16.133 1084 HG22 THR 145 HG22 THR 145 -4.282 15.373 15.153 1085 HG23 THR 145 HG23 THR 145 -4.364 13.613 15.172 1086 H GLU 146 H GLU 146 -7.663 11.849 16.026 1087 HA GLU 146 HA GLU 146 -8.606 13.751 17.922 1088 HB2 GLU 146 HB2 GLU 146 -10.455 13.714 16.170 1089 HB3 GLU 146 HB3 GLU 146 -10.780 12.058 16.689 1090 HG2 GLU 146 HG2 GLU 146 -11.140 12.846 19.001 1091 HG3 GLU 146 HG3 GLU 146 -10.802 14.497 18.495 1092 H LEU 147 H LEU 147 -9.276 12.758 19.919 1093 HA LEU 147 HA LEU 147 -9.178 11.198 21.596 1094 HB2 LEU 147 HB2 LEU 147 -9.558 9.214 19.325 1095 HB3 LEU 147 HB3 LEU 147 -9.659 8.822 21.036 1096 HG LEU 147 HG LEU 147 -11.416 10.902 19.693 1097 HD11 LEU 147 HD11 LEU 147 -11.998 8.005 20.368 1098 HD12 LEU 147 HD12 LEU 147 -11.867 8.685 18.746 1099 HD13 LEU 147 HD13 LEU 147 -13.190 9.175 19.804 1100 HD21 LEU 147 HD21 LEU 147 -12.801 10.541 21.762 1101 HD22 LEU 147 HD22 LEU 147 -11.210 11.211 22.119 1102 HD23 LEU 147 HD23 LEU 147 -11.525 9.496 22.391 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 12.604 11.759 10.744 2 H2 GLY 1 HT2 GLY 1 11.445 10.742 10.031 3 H3 GLY 1 HT3 GLY 1 12.811 11.233 9.147 4 HA2 GLY 1 HA2 GLY 1 13.405 9.884 11.638 5 HA3 GLY 1 HA3 GLY 1 12.621 8.881 10.419 6 H SER 2 H SER 2 13.582 8.781 8.280 7 HA SER 2 HA SER 2 15.296 8.546 6.789 8 HB2 SER 2 HB2 SER 2 15.668 11.037 7.477 9 HB3 SER 2 HB3 SER 2 17.044 10.406 8.373 10 HG SER 2 HG SER 2 16.543 9.808 5.642 11 H LYS 3 H LYS 3 17.043 9.024 9.884 12 HA LYS 3 HA LYS 3 18.983 7.059 9.416 13 HB2 LYS 3 HB2 LYS 3 19.197 8.841 11.126 14 HB3 LYS 3 HB3 LYS 3 17.934 8.066 12.083 15 HG2 LYS 3 HG2 LYS 3 19.330 6.043 12.310 16 HG3 LYS 3 HG3 LYS 3 20.590 6.798 11.327 17 HD2 LYS 3 HD2 LYS 3 20.848 8.582 12.993 18 HD3 LYS 3 HD3 LYS 3 19.554 7.881 13.964 19 HE2 LYS 3 HE2 LYS 3 21.714 7.193 14.878 20 HE3 LYS 3 HE3 LYS 3 20.893 5.792 14.192 21 HZ1 LYS 3 HZ1 LYS 3 22.719 5.472 12.994 22 HZ2 LYS 3 HZ2 LYS 3 23.379 6.965 13.457 23 HZ3 LYS 3 HZ3 LYS 3 22.352 6.870 12.111 24 H GLY 4 H GLY 4 15.897 6.883 11.177 25 HA2 GLY 4 HA2 GLY 4 15.776 4.000 10.695 26 HA3 GLY 4 HA3 GLY 4 15.748 4.522 12.376 27 H THR 5 H THR 5 13.680 3.156 10.776 28 HA THR 5 HA THR 5 11.478 5.059 11.264 29 HB THR 5 HB THR 5 10.316 4.264 9.246 30 HG1 THR 5 HG1 THR 5 11.210 2.252 9.009 31 HG21 THR 5 HG21 THR 5 11.787 6.266 9.118 32 HG22 THR 5 HG22 THR 5 11.699 5.395 7.586 33 HG23 THR 5 HG23 THR 5 13.120 5.225 8.615 34 H VAL 6 H VAL 6 9.397 4.023 11.626 35 HA VAL 6 HA VAL 6 9.546 1.177 12.373 36 HB VAL 6 HB VAL 6 8.222 1.632 14.420 37 HG11 VAL 6 HG11 VAL 6 10.061 2.568 15.738 38 HG12 VAL 6 HG12 VAL 6 10.807 3.206 14.272 39 HG13 VAL 6 HG13 VAL 6 10.688 1.464 14.516 40 HG21 VAL 6 HG21 VAL 6 7.123 3.712 13.891 41 HG22 VAL 6 HG22 VAL 6 8.660 4.518 13.580 42 HG23 VAL 6 HG23 VAL 6 8.222 4.061 15.226 43 H SER 7 H SER 7 7.605 0.032 12.222 44 HA SER 7 HA SER 7 5.154 1.312 11.440 45 HB2 SER 7 HB2 SER 7 4.984 0.384 9.206 46 HB3 SER 7 HB3 SER 7 6.430 1.381 9.312 47 HG SER 7 HG SER 7 7.576 -0.612 9.750 48 H GLU 8 H GLU 8 3.435 -0.285 10.983 49 HA GLU 8 HA GLU 8 3.987 -2.960 12.093 50 HB2 GLU 8 HB2 GLU 8 1.604 -1.202 12.792 51 HB3 GLU 8 HB3 GLU 8 1.808 -2.884 13.292 52 HG2 GLU 8 HG2 GLU 8 3.868 -2.284 14.505 53 HG3 GLU 8 HG3 GLU 8 3.696 -0.608 13.988 54 HA PRO 9 HA PRO 9 1.710 -3.045 7.940 55 HB2 PRO 9 HB2 PRO 9 3.323 -4.813 6.668 56 HB3 PRO 9 HB3 PRO 9 3.668 -3.070 6.721 57 HG2 PRO 9 HG2 PRO 9 4.812 -5.264 8.392 58 HG3 PRO 9 HG3 PRO 9 5.635 -3.906 7.599 59 HD2 PRO 9 HD2 PRO 9 5.037 -3.853 10.240 60 HD3 PRO 9 HD3 PRO 9 5.014 -2.381 9.240 61 H THR 10 H THR 10 0.259 -4.597 7.285 62 HA THR 10 HA THR 10 0.334 -7.230 8.626 63 HB THR 10 HB THR 10 -2.118 -5.464 8.340 64 HG1 THR 10 HG1 THR 10 -1.385 -4.675 10.130 65 HG21 THR 10 HG21 THR 10 -1.703 -8.194 9.600 66 HG22 THR 10 HG22 THR 10 -2.724 -7.819 8.212 67 HG23 THR 10 HG23 THR 10 -3.155 -7.215 9.812 68 H THR 11 H THR 11 -0.097 -8.930 7.338 69 HA THR 11 HA THR 11 -1.106 -8.397 4.608 70 HB THR 11 HB THR 11 0.774 -10.605 5.522 71 HG1 THR 11 HG1 THR 11 2.083 -8.947 5.356 72 HG21 THR 11 HG21 THR 11 0.975 -11.161 3.167 73 HG22 THR 11 HG22 THR 11 -0.072 -9.814 2.719 74 HG23 THR 11 HG23 THR 11 -0.735 -11.190 3.600 75 H VAL 12 H VAL 12 -3.025 -9.279 4.115 76 HA VAL 12 HA VAL 12 -3.923 -11.651 5.630 77 HB VAL 12 HB VAL 12 -5.606 -9.178 5.104 78 HG11 VAL 12 HG11 VAL 12 -6.887 -11.332 4.976 79 HG12 VAL 12 HG12 VAL 12 -7.377 -10.327 6.340 80 HG13 VAL 12 HG13 VAL 12 -6.330 -11.721 6.603 81 HG21 VAL 12 HG21 VAL 12 -4.155 -8.706 6.938 82 HG22 VAL 12 HG22 VAL 12 -4.302 -10.342 7.578 83 HG23 VAL 12 HG23 VAL 12 -5.663 -9.226 7.691 84 H ALA 13 H ALA 13 -4.860 -13.214 4.468 85 HA ALA 13 HA ALA 13 -5.253 -12.768 1.589 86 HB1 ALA 13 HB1 ALA 13 -5.080 -15.341 3.180 87 HB2 ALA 13 HB2 ALA 13 -3.801 -14.646 2.185 88 HB3 ALA 13 HB3 ALA 13 -5.280 -15.240 1.431 89 H PHE 14 H PHE 14 -7.220 -13.410 0.538 90 HA PHE 14 HA PHE 14 -9.468 -14.134 2.256 91 HB2 PHE 14 HB2 PHE 14 -10.893 -12.314 1.521 92 HB3 PHE 14 HB3 PHE 14 -9.425 -11.638 2.213 93 HD1 PHE 14 HD1 PHE 14 -11.456 -11.994 -0.794 94 HD2 PHE 14 HD2 PHE 14 -7.630 -10.726 0.692 95 HE1 PHE 14 HE1 PHE 14 -11.051 -10.747 -2.896 96 HE2 PHE 14 HE2 PHE 14 -7.232 -9.480 -1.422 97 HZ PHE 14 HZ PHE 14 -8.942 -9.490 -3.207 98 H ASP 15 H ASP 15 -11.404 -14.782 1.041 99 HA ASP 15 HA ASP 15 -10.595 -16.222 -1.371 100 HB2 ASP 15 HB2 ASP 15 -13.053 -16.538 0.362 101 HB3 ASP 15 HB3 ASP 15 -12.595 -17.582 -0.984 102 H VAL 16 H VAL 16 -11.244 -15.629 -3.359 103 HA VAL 16 HA VAL 16 -13.431 -13.667 -3.608 104 HB VAL 16 HB VAL 16 -11.378 -14.624 -5.650 105 HG11 VAL 16 HG11 VAL 16 -13.440 -14.000 -6.800 106 HG12 VAL 16 HG12 VAL 16 -12.263 -12.705 -7.016 107 HG13 VAL 16 HG13 VAL 16 -13.567 -12.523 -5.844 108 HG21 VAL 16 HG21 VAL 16 -10.497 -13.163 -3.830 109 HG22 VAL 16 HG22 VAL 16 -11.713 -11.956 -4.251 110 HG23 VAL 16 HG23 VAL 16 -10.449 -12.371 -5.406 111 H ARG 17 H ARG 17 -15.341 -14.596 -3.680 112 HA ARG 17 HA ARG 17 -15.656 -17.135 -5.138 113 HB2 ARG 17 HB2 ARG 17 -17.297 -15.983 -2.875 114 HB3 ARG 17 HB3 ARG 17 -17.656 -17.495 -3.712 115 HG2 ARG 17 HG2 ARG 17 -15.492 -18.437 -3.022 116 HG3 ARG 17 HG3 ARG 17 -15.043 -16.904 -2.270 117 HD2 ARG 17 HD2 ARG 17 -15.846 -18.487 -0.568 118 HD3 ARG 17 HD3 ARG 17 -16.926 -17.101 -0.692 119 HE ARG 17 HE ARG 17 -18.591 -18.524 -1.528 120 HH11 ARG 17 HH11 ARG 17 -15.535 -20.251 -1.408 121 HH12 ARG 17 HH12 ARG 17 -16.256 -21.791 -1.735 122 HH21 ARG 17 HH21 ARG 17 -19.487 -20.553 -1.953 123 HH22 ARG 17 HH22 ARG 17 -18.480 -21.959 -2.040 124 HA PRO 18 HA PRO 18 -18.058 -14.344 -7.886 125 HB2 PRO 18 HB2 PRO 18 -18.201 -15.877 -10.045 126 HB3 PRO 18 HB3 PRO 18 -16.668 -15.123 -9.567 127 HG2 PRO 18 HG2 PRO 18 -17.600 -17.927 -9.121 128 HG3 PRO 18 HG3 PRO 18 -16.022 -17.349 -9.691 129 HD2 PRO 18 HD2 PRO 18 -16.479 -18.061 -7.091 130 HD3 PRO 18 HD3 PRO 18 -15.280 -16.828 -7.558 131 H GLY 19 H GLY 19 -20.118 -14.582 -9.190 132 HA2 GLY 19 HA2 GLY 19 -21.996 -16.392 -9.459 133 HA3 GLY 19 HA3 GLY 19 -22.048 -16.241 -7.707 134 H GLY 20 H GLY 20 -21.312 -13.337 -9.463 135 HA2 GLY 20 HA2 GLY 20 -22.490 -11.430 -9.943 136 HA3 GLY 20 HA3 GLY 20 -23.954 -12.407 -9.959 137 H VAL 21 H VAL 21 -21.854 -12.343 -7.165 138 HA VAL 21 HA VAL 21 -23.901 -10.821 -5.663 139 HB VAL 21 HB VAL 21 -22.002 -12.961 -4.646 140 HG11 VAL 21 HG11 VAL 21 -23.341 -12.805 -2.554 141 HG12 VAL 21 HG12 VAL 21 -24.234 -11.450 -3.246 142 HG13 VAL 21 HG13 VAL 21 -22.508 -11.293 -2.920 143 HG21 VAL 21 HG21 VAL 21 -24.996 -13.001 -5.181 144 HG22 VAL 21 HG22 VAL 21 -24.132 -14.265 -4.306 145 HG23 VAL 21 HG23 VAL 21 -23.767 -13.964 -6.004 146 H VAL 22 H VAL 22 -23.307 -8.999 -4.730 147 HA VAL 22 HA VAL 22 -20.639 -7.977 -5.085 148 HB VAL 22 HB VAL 22 -23.001 -6.823 -3.549 149 HG11 VAL 22 HG11 VAL 22 -20.471 -5.470 -4.548 150 HG12 VAL 22 HG12 VAL 22 -20.809 -5.867 -2.864 151 HG13 VAL 22 HG13 VAL 22 -21.806 -4.681 -3.706 152 HG21 VAL 22 HG21 VAL 22 -21.982 -6.054 -6.301 153 HG22 VAL 22 HG22 VAL 22 -23.482 -5.542 -5.528 154 HG23 VAL 22 HG23 VAL 22 -23.290 -7.213 -6.058 155 H HIS 23 H HIS 23 -19.006 -8.402 -3.829 156 HA HIS 23 HA HIS 23 -19.483 -9.166 -1.007 157 HB2 HIS 23 HB2 HIS 23 -17.191 -9.926 -2.828 158 HB3 HIS 23 HB3 HIS 23 -17.325 -10.363 -1.126 159 HD2 HIS 23 HD2 HIS 23 -18.358 -11.783 -4.506 160 HE1 HIS 23 HE1 HIS 23 -20.880 -13.655 -1.690 161 HE2 HIS 23 HE2 HIS 23 -20.077 -13.701 -4.098 162 H SER 24 H SER 24 -18.454 -8.137 0.574 163 HA SER 24 HA SER 24 -16.665 -5.900 -0.181 164 HB2 SER 24 HB2 SER 24 -18.598 -6.092 2.138 165 HB3 SER 24 HB3 SER 24 -17.459 -4.772 1.871 166 HG SER 24 HG SER 24 -19.765 -4.676 1.005 167 H PHE 25 H PHE 25 -14.699 -5.928 0.565 168 HA PHE 25 HA PHE 25 -14.031 -7.544 2.950 169 HB2 PHE 25 HB2 PHE 25 -12.384 -7.240 0.421 170 HB3 PHE 25 HB3 PHE 25 -11.842 -8.049 1.893 171 HD1 PHE 25 HD1 PHE 25 -14.036 -8.250 -1.041 172 HD2 PHE 25 HD2 PHE 25 -12.854 -10.179 2.610 173 HE1 PHE 25 HE1 PHE 25 -15.140 -10.340 -1.788 174 HE2 PHE 25 HE2 PHE 25 -13.957 -12.269 1.863 175 HZ PHE 25 HZ PHE 25 -15.101 -12.351 -0.337 176 H SER 26 H SER 26 -12.478 -6.643 4.335 177 HA SER 26 HA SER 26 -11.310 -4.059 3.656 178 HB2 SER 26 HB2 SER 26 -12.324 -2.853 5.469 179 HB3 SER 26 HB3 SER 26 -13.599 -3.572 4.489 180 HG SER 26 HG SER 26 -13.916 -3.921 6.740 181 H HIS 27 H HIS 27 -9.943 -3.209 5.438 182 HA HIS 27 HA HIS 27 -9.018 -5.191 7.365 183 HB2 HIS 27 HB2 HIS 27 -7.750 -5.577 5.202 184 HB3 HIS 27 HB3 HIS 27 -7.046 -3.972 5.424 185 HD2 HIS 27 HD2 HIS 27 -6.628 -7.571 6.799 186 HE1 HIS 27 HE1 HIS 27 -4.119 -5.081 9.103 187 HE2 HIS 27 HE2 HIS 27 -4.741 -7.492 8.594 188 H ASN 28 H ASN 28 -7.974 -4.326 9.116 189 HA ASN 28 HA ASN 28 -7.298 -1.493 9.187 190 HB2 ASN 28 HB2 ASN 28 -8.711 -1.057 11.159 191 HB3 ASN 28 HB3 ASN 28 -9.679 -1.478 9.747 192 HD21 ASN 28 HD21 ASN 28 -11.420 -2.166 11.266 193 HD22 ASN 28 HD22 ASN 28 -11.314 -3.665 12.052 194 H VAL 29 H VAL 29 -6.353 -0.889 11.344 195 HA VAL 29 HA VAL 29 -4.975 -3.191 12.602 196 HB VAL 29 HB VAL 29 -2.941 -1.781 12.805 197 HG11 VAL 29 HG11 VAL 29 -4.016 -2.176 10.000 198 HG12 VAL 29 HG12 VAL 29 -3.094 -3.342 10.949 199 HG13 VAL 29 HG13 VAL 29 -2.325 -1.857 10.385 200 HG21 VAL 29 HG21 VAL 29 -4.202 0.128 10.811 201 HG22 VAL 29 HG22 VAL 29 -2.760 0.363 11.797 202 HG23 VAL 29 HG23 VAL 29 -4.353 0.399 12.546 203 H GLY 30 H GLY 30 -4.134 -2.733 14.795 204 HA2 GLY 30 HA2 GLY 30 -6.140 -1.864 16.507 205 HA3 GLY 30 HA3 GLY 30 -4.454 -2.058 16.979 206 HA PRO 31 HA PRO 31 -3.810 2.352 17.499 207 HB2 PRO 31 HB2 PRO 31 -1.850 2.407 15.244 208 HB3 PRO 31 HB3 PRO 31 -1.658 2.960 16.923 209 HG2 PRO 31 HG2 PRO 31 -0.509 0.735 16.165 210 HG3 PRO 31 HG3 PRO 31 -1.349 0.799 17.730 211 HD2 PRO 31 HD2 PRO 31 -2.304 -0.420 15.147 212 HD3 PRO 31 HD3 PRO 31 -2.428 -1.053 16.809 213 H GLY 32 H GLY 32 -3.824 1.430 14.080 214 HA2 GLY 32 HA2 GLY 32 -5.098 3.933 13.251 215 HA3 GLY 32 HA3 GLY 32 -4.471 2.676 12.188 216 H ASP 33 H ASP 33 -6.584 1.915 14.898 217 HA ASP 33 HA ASP 33 -8.344 0.350 13.402 218 HB2 ASP 33 HB2 ASP 33 -9.840 0.437 15.367 219 HB3 ASP 33 HB3 ASP 33 -8.157 0.128 15.784 220 H LYS 34 H LYS 34 -8.452 3.765 14.111 221 HA LYS 34 HA LYS 34 -11.079 4.350 13.218 222 HB2 LYS 34 HB2 LYS 34 -8.537 5.981 13.299 223 HB3 LYS 34 HB3 LYS 34 -10.107 6.648 12.836 224 HG2 LYS 34 HG2 LYS 34 -11.048 6.048 14.998 225 HG3 LYS 34 HG3 LYS 34 -9.545 5.245 15.463 226 HD2 LYS 34 HD2 LYS 34 -9.473 7.382 16.494 227 HD3 LYS 34 HD3 LYS 34 -8.388 7.493 15.113 228 HE2 LYS 34 HE2 LYS 34 -10.100 8.620 13.789 229 HE3 LYS 34 HE3 LYS 34 -11.284 8.420 15.081 230 HZ1 LYS 34 HZ1 LYS 34 -8.977 10.229 14.927 231 HZ2 LYS 34 HZ2 LYS 34 -9.455 9.657 16.455 232 HZ3 LYS 34 HZ3 LYS 34 -10.548 10.529 15.489 233 H TYR 35 H TYR 35 -7.980 3.944 11.648 234 HA TYR 35 HA TYR 35 -9.014 4.738 9.004 235 HB2 TYR 35 HB2 TYR 35 -6.243 3.845 9.851 236 HB3 TYR 35 HB3 TYR 35 -6.677 4.462 8.260 237 HD1 TYR 35 HD1 TYR 35 -5.756 5.331 11.647 238 HD2 TYR 35 HD2 TYR 35 -7.611 6.829 8.081 239 HE1 TYR 35 HE1 TYR 35 -5.434 7.650 12.457 240 HE2 TYR 35 HE2 TYR 35 -7.289 9.152 8.888 241 HH TYR 35 HH TYR 35 -6.539 9.905 12.057 242 H THR 36 H THR 36 -9.535 3.336 7.369 243 HA THR 36 HA THR 36 -8.498 0.637 7.338 244 HB THR 36 HB THR 36 -10.355 0.338 8.901 245 HG1 THR 36 HG1 THR 36 -10.815 -1.461 7.941 246 HG21 THR 36 HG21 THR 36 -12.704 0.653 8.002 247 HG22 THR 36 HG22 THR 36 -11.991 1.561 6.670 248 HG23 THR 36 HG23 THR 36 -11.821 2.145 8.325 249 H CYS 37 H CYS 37 -8.935 -0.534 5.423 250 HA CYS 37 HA CYS 37 -9.732 1.159 3.123 251 HB2 CYS 37 HB2 CYS 37 -7.985 -1.324 3.199 252 HB3 CYS 37 HB3 CYS 37 -8.443 -0.456 1.739 253 H MET 38 H MET 38 -11.274 0.397 1.684 254 HA MET 38 HA MET 38 -12.482 -2.232 2.264 255 HB2 MET 38 HB2 MET 38 -13.981 0.312 1.641 256 HB3 MET 38 HB3 MET 38 -14.697 -1.300 1.655 257 HG2 MET 38 HG2 MET 38 -13.851 -1.564 4.008 258 HG3 MET 38 HG3 MET 38 -13.430 0.147 3.980 259 HE1 MET 38 HE1 MET 38 -16.409 2.136 3.930 260 HE2 MET 38 HE2 MET 38 -16.320 1.456 2.313 261 HE3 MET 38 HE3 MET 38 -14.835 1.856 3.163 262 H PHE 39 H PHE 39 -13.023 -3.435 0.613 263 HA PHE 39 HA PHE 39 -12.775 -2.349 -2.117 264 HB2 PHE 39 HB2 PHE 39 -11.479 -4.885 -1.092 265 HB3 PHE 39 HB3 PHE 39 -11.583 -4.429 -2.793 266 HD1 PHE 39 HD1 PHE 39 -10.119 -3.542 0.492 267 HD2 PHE 39 HD2 PHE 39 -10.234 -2.635 -3.708 268 HE1 PHE 39 HE1 PHE 39 -8.110 -2.111 0.746 269 HE2 PHE 39 HE2 PHE 39 -8.222 -1.205 -3.452 270 HZ PHE 39 HZ PHE 39 -7.161 -0.943 -1.227 271 H THR 40 H THR 40 -14.702 -2.532 -2.951 272 HA THR 40 HA THR 40 -16.288 -4.989 -2.436 273 HB THR 40 HB THR 40 -17.264 -2.229 -3.270 274 HG1 THR 40 HG1 THR 40 -16.618 -2.252 -1.131 275 HG21 THR 40 HG21 THR 40 -19.502 -3.118 -2.951 276 HG22 THR 40 HG22 THR 40 -18.855 -4.662 -2.398 277 HG23 THR 40 HG23 THR 40 -18.649 -4.173 -4.078 278 H TYR 41 H TYR 41 -16.792 -6.280 -4.140 279 HA TYR 41 HA TYR 41 -16.659 -5.233 -6.855 280 HB2 TYR 41 HB2 TYR 41 -15.030 -6.905 -7.629 281 HB3 TYR 41 HB3 TYR 41 -14.326 -5.836 -6.419 282 HD1 TYR 41 HD1 TYR 41 -15.570 -9.247 -7.093 283 HD2 TYR 41 HD2 TYR 41 -13.756 -6.655 -4.185 284 HE1 TYR 41 HE1 TYR 41 -14.997 -11.212 -5.697 285 HE2 TYR 41 HE2 TYR 41 -13.185 -8.624 -2.789 286 HH TYR 41 HH TYR 41 -14.425 -11.796 -3.492 287 H ALA 42 H ALA 42 -17.346 -6.746 -8.486 288 HA ALA 42 HA ALA 42 -19.086 -8.918 -7.467 289 HB1 ALA 42 HB1 ALA 42 -19.697 -6.713 -9.400 290 HB2 ALA 42 HB2 ALA 42 -20.711 -7.400 -8.131 291 HB3 ALA 42 HB3 ALA 42 -20.456 -8.287 -9.633 292 H SER 43 H SER 43 -18.828 -10.861 -8.465 293 HA SER 43 HA SER 43 -17.294 -10.937 -10.987 294 HB2 SER 43 HB2 SER 43 -16.770 -12.673 -8.573 295 HB3 SER 43 HB3 SER 43 -15.993 -12.826 -10.147 296 HG SER 43 HG SER 43 -14.668 -11.563 -8.911 297 H GLN 44 H GLN 44 -17.545 -12.794 -12.257 298 HA GLN 44 HA GLN 44 -19.881 -14.487 -11.629 299 HB2 GLN 44 HB2 GLN 44 -20.437 -12.745 -13.344 300 HB3 GLN 44 HB3 GLN 44 -19.179 -13.420 -14.382 301 HG2 GLN 44 HG2 GLN 44 -21.352 -14.345 -15.030 302 HG3 GLN 44 HG3 GLN 44 -20.355 -15.619 -14.325 303 HE21 GLN 44 HE21 GLN 44 -21.599 -16.919 -12.985 304 HE22 GLN 44 HE22 GLN 44 -22.846 -16.370 -11.972 305 H GLY 45 H GLY 45 -19.494 -16.603 -11.755 306 HA2 GLY 45 HA2 GLY 45 -18.106 -18.122 -13.541 307 HA3 GLY 45 HA3 GLY 45 -16.859 -17.578 -12.418 308 H GLY 46 H GLY 46 -16.852 -20.076 -12.196 309 HA2 GLY 46 HA2 GLY 46 -18.669 -20.808 -9.969 310 HA3 GLY 46 HA3 GLY 46 -18.278 -21.943 -11.255 311 H THR 47 H THR 47 -15.574 -19.997 -10.408 312 HA THR 47 HA THR 47 -14.562 -22.105 -8.579 313 HB THR 47 HB THR 47 -12.976 -20.682 -10.736 314 HG1 THR 47 HG1 THR 47 -14.235 -22.194 -11.707 315 HG21 THR 47 HG21 THR 47 -12.209 -22.934 -8.847 316 HG22 THR 47 HG22 THR 47 -11.611 -21.277 -8.764 317 HG23 THR 47 HG23 THR 47 -11.198 -22.295 -10.143 318 H ASN 48 H ASN 48 -13.829 -21.456 -6.701 319 HA ASN 48 HA ASN 48 -13.539 -18.624 -6.111 320 HB2 ASN 48 HB2 ASN 48 -13.304 -21.002 -4.244 321 HB3 ASN 48 HB3 ASN 48 -13.577 -19.316 -3.802 322 HD21 ASN 48 HD21 ASN 48 -15.219 -22.138 -3.896 323 HD22 ASN 48 HD22 ASN 48 -16.772 -21.581 -4.296 324 H GLU 49 H GLU 49 -11.605 -17.820 -5.043 325 HA GLU 49 HA GLU 49 -9.259 -19.521 -5.054 326 HB2 GLU 49 HB2 GLU 49 -7.933 -18.016 -6.420 327 HB3 GLU 49 HB3 GLU 49 -9.268 -18.696 -7.354 328 HG2 GLU 49 HG2 GLU 49 -10.548 -16.569 -6.824 329 HG3 GLU 49 HG3 GLU 49 -9.036 -15.941 -6.136 330 H GLN 50 H GLN 50 -7.277 -18.166 -4.382 331 HA GLN 50 HA GLN 50 -8.118 -16.453 -2.130 332 HB2 GLN 50 HB2 GLN 50 -5.759 -18.315 -2.407 333 HB3 GLN 50 HB3 GLN 50 -5.998 -17.207 -1.053 334 HG2 GLN 50 HG2 GLN 50 -8.128 -18.257 -0.522 335 HG3 GLN 50 HG3 GLN 50 -7.973 -19.325 -1.922 336 HE21 GLN 50 HE21 GLN 50 -7.750 -21.338 -0.814 337 HE22 GLN 50 HE22 GLN 50 -6.481 -21.674 0.263 338 H TRP 51 H TRP 51 -7.434 -14.469 -2.048 339 HA TRP 51 HA TRP 51 -5.247 -13.589 -3.820 340 HB2 TRP 51 HB2 TRP 51 -7.714 -12.168 -2.848 341 HB3 TRP 51 HB3 TRP 51 -6.348 -11.309 -3.549 342 HD1 TRP 51 HD1 TRP 51 -8.495 -14.417 -4.562 343 HE1 TRP 51 HE1 TRP 51 -8.979 -14.213 -7.086 344 HE3 TRP 51 HE3 TRP 51 -5.979 -10.088 -5.647 345 HZ2 TRP 51 HZ2 TRP 51 -8.382 -12.486 -9.275 346 HZ3 TRP 51 HZ3 TRP 51 -5.955 -9.193 -7.962 347 HH2 TRP 51 HH2 TRP 51 -7.152 -10.384 -9.782 348 H GLN 52 H GLN 52 -3.682 -12.185 -2.946 349 HA GLN 52 HA GLN 52 -3.522 -12.205 0.003 350 HB2 GLN 52 HB2 GLN 52 -1.351 -11.633 -2.037 351 HB3 GLN 52 HB3 GLN 52 -1.132 -11.716 -0.295 352 HG2 GLN 52 HG2 GLN 52 -2.123 -14.016 -2.012 353 HG3 GLN 52 HG3 GLN 52 -0.475 -13.843 -1.416 354 HE21 GLN 52 HE21 GLN 52 -0.535 -13.358 1.177 355 HE22 GLN 52 HE22 GLN 52 -1.525 -14.427 2.047 356 H MET 53 H MET 53 -3.348 -10.367 1.199 357 HA MET 53 HA MET 53 -3.467 -7.781 -0.243 358 HB2 MET 53 HB2 MET 53 -4.929 -8.415 2.342 359 HB3 MET 53 HB3 MET 53 -4.979 -6.909 1.429 360 HG2 MET 53 HG2 MET 53 -5.931 -8.217 -0.519 361 HG3 MET 53 HG3 MET 53 -6.041 -9.601 0.551 362 HE1 MET 53 HE1 MET 53 -8.581 -8.820 3.165 363 HE2 MET 53 HE2 MET 53 -6.868 -8.479 3.381 364 HE3 MET 53 HE3 MET 53 -7.364 -9.904 2.474 365 H SER 54 H SER 54 -2.206 -6.172 0.545 366 HA SER 54 HA SER 54 -0.823 -6.595 3.101 367 HB2 SER 54 HB2 SER 54 0.551 -5.884 0.500 368 HB3 SER 54 HB3 SER 54 1.304 -5.841 2.090 369 HG SER 54 HG SER 54 1.690 -7.828 1.045 370 H LEU 55 H LEU 55 -0.615 -4.808 4.295 371 HA LEU 55 HA LEU 55 -0.994 -2.183 3.029 372 HB2 LEU 55 HB2 LEU 55 -2.547 -1.473 4.788 373 HB3 LEU 55 HB3 LEU 55 -3.220 -2.774 3.812 374 HG LEU 55 HG LEU 55 -1.705 -3.588 6.301 375 HD11 LEU 55 HD11 LEU 55 -3.158 -1.644 6.986 376 HD12 LEU 55 HD12 LEU 55 -3.540 -3.167 7.790 377 HD13 LEU 55 HD13 LEU 55 -4.555 -2.588 6.469 378 HD21 LEU 55 HD21 LEU 55 -4.390 -4.558 5.271 379 HD22 LEU 55 HD22 LEU 55 -3.251 -5.417 6.308 380 HD23 LEU 55 HD23 LEU 55 -2.870 -5.156 4.607 381 H GLY 56 H GLY 56 -0.162 -0.420 4.197 382 HA2 GLY 56 HA2 GLY 56 1.305 -0.895 6.660 383 HA3 GLY 56 HA3 GLY 56 2.313 -0.591 5.247 384 H THR 57 H THR 57 2.492 1.098 7.335 385 HA THR 57 HA THR 57 1.190 3.562 6.344 386 HB THR 57 HB THR 57 0.924 4.336 8.661 387 HG1 THR 57 HG1 THR 57 2.586 3.147 9.608 388 HG21 THR 57 HG21 THR 57 -0.950 2.954 9.250 389 HG22 THR 57 HG22 THR 57 -0.289 1.581 8.365 390 HG23 THR 57 HG23 THR 57 -0.872 2.994 7.488 391 H SER 58 H SER 58 2.295 5.536 6.919 392 HA SER 58 HA SER 58 5.109 5.425 6.478 393 HB2 SER 58 HB2 SER 58 3.907 7.332 5.671 394 HB3 SER 58 HB3 SER 58 3.270 7.687 7.277 395 HG SER 58 HG SER 58 5.892 7.944 6.252 396 H GLU 59 H GLU 59 6.747 6.376 7.898 397 HA GLU 59 HA GLU 59 6.852 5.157 10.421 398 HB2 GLU 59 HB2 GLU 59 8.858 6.536 10.814 399 HB3 GLU 59 HB3 GLU 59 8.867 5.856 9.188 400 HG2 GLU 59 HG2 GLU 59 7.858 8.035 8.369 401 HG3 GLU 59 HG3 GLU 59 8.140 8.695 9.983 402 H ASP 60 H ASP 60 5.548 8.251 9.466 403 HA ASP 60 HA ASP 60 5.196 9.125 12.243 404 HB2 ASP 60 HB2 ASP 60 4.507 10.520 9.650 405 HB3 ASP 60 HB3 ASP 60 4.366 11.220 11.265 406 H HIS 61 H HIS 61 3.565 7.108 10.171 407 HA HIS 61 HA HIS 61 1.466 6.226 10.095 408 HB2 HIS 61 HB2 HIS 61 1.192 7.651 12.757 409 HB3 HIS 61 HB3 HIS 61 0.047 6.464 12.126 410 HD2 HIS 61 HD2 HIS 61 3.907 6.495 13.128 411 HE1 HIS 61 HE1 HIS 61 2.438 2.546 13.416 412 HE2 HIS 61 HE2 HIS 61 4.457 4.035 13.807 413 H GLN 62 H GLN 62 2.028 8.894 8.932 414 HA GLN 62 HA GLN 62 -0.575 10.221 9.079 415 HB2 GLN 62 HB2 GLN 62 0.475 11.991 7.695 416 HB3 GLN 62 HB3 GLN 62 1.356 11.695 9.194 417 HG2 GLN 62 HG2 GLN 62 2.997 10.351 8.030 418 HG3 GLN 62 HG3 GLN 62 2.075 10.460 6.536 419 HE21 GLN 62 HE21 GLN 62 4.067 11.473 5.549 420 HE22 GLN 62 HE22 GLN 62 4.401 13.112 5.840 421 H HIS 63 H HIS 63 1.343 8.255 6.894 422 HA HIS 63 HA HIS 63 -0.745 8.487 4.813 423 HB2 HIS 63 HB2 HIS 63 2.120 7.548 4.651 424 HB3 HIS 63 HB3 HIS 63 0.957 7.297 3.354 425 HD2 HIS 63 HD2 HIS 63 3.204 10.130 4.739 426 HE1 HIS 63 HE1 HIS 63 0.742 11.830 1.764 427 HE2 HIS 63 HE2 HIS 63 2.764 12.227 3.249 428 H PHE 64 H PHE 64 -1.983 6.824 4.282 429 HA PHE 64 HA PHE 64 -1.391 4.153 5.409 430 HB2 PHE 64 HB2 PHE 64 -4.102 5.494 5.137 431 HB3 PHE 64 HB3 PHE 64 -3.846 3.819 5.635 432 HD1 PHE 64 HD1 PHE 64 -3.308 7.364 6.576 433 HD2 PHE 64 HD2 PHE 64 -3.067 3.271 7.852 434 HE1 PHE 64 HE1 PHE 64 -2.959 8.115 8.912 435 HE2 PHE 64 HE2 PHE 64 -2.717 4.022 10.190 436 HZ PHE 64 HZ PHE 64 -2.663 6.443 10.720 437 H THR 65 H THR 65 -1.299 2.567 3.907 438 HA THR 65 HA THR 65 -2.673 2.993 1.324 439 HB THR 65 HB THR 65 -0.378 3.708 0.962 440 HG1 THR 65 HG1 THR 65 0.157 2.088 -0.637 441 HG21 THR 65 HG21 THR 65 0.717 2.477 2.783 442 HG22 THR 65 HG22 THR 65 1.500 2.120 1.245 443 HG23 THR 65 HG23 THR 65 0.391 0.950 1.962 444 H CYS 66 H CYS 66 -3.422 1.228 0.267 445 HA CYS 66 HA CYS 66 -2.963 -1.399 1.545 446 HB2 CYS 66 HB2 CYS 66 -5.610 -0.261 0.613 447 HB3 CYS 66 HB3 CYS 66 -5.351 -1.942 1.096 448 H THR 67 H THR 67 -2.573 -3.072 0.209 449 HA THR 67 HA THR 67 -2.896 -2.651 -2.705 450 HB THR 67 HB THR 67 -0.512 -3.956 -1.360 451 HG1 THR 67 HG1 THR 67 -0.320 -1.794 -1.040 452 HG21 THR 67 HG21 THR 67 0.395 -4.277 -3.491 453 HG22 THR 67 HG22 THR 67 -0.623 -3.039 -4.221 454 HG23 THR 67 HG23 THR 67 -1.312 -4.604 -3.795 455 H ILE 68 H ILE 68 -3.884 -4.269 -3.733 456 HA ILE 68 HA ILE 68 -4.021 -6.939 -2.459 457 HB ILE 68 HB ILE 68 -6.350 -5.516 -3.800 458 HG12 ILE 68 HG12 ILE 68 -5.997 -6.227 -0.850 459 HG13 ILE 68 HG13 ILE 68 -5.652 -4.635 -1.511 460 HG21 ILE 68 HG21 ILE 68 -7.573 -7.535 -2.662 461 HG22 ILE 68 HG22 ILE 68 -5.974 -8.277 -2.607 462 HG23 ILE 68 HG23 ILE 68 -6.685 -7.834 -4.156 463 HD11 ILE 68 HD11 ILE 68 -8.332 -5.944 -1.954 464 HD12 ILE 68 HD12 ILE 68 -7.906 -4.237 -2.068 465 HD13 ILE 68 HD13 ILE 68 -7.995 -5.019 -0.489 466 H TRP 69 H TRP 69 -3.410 -8.538 -3.786 467 HA TRP 69 HA TRP 69 -3.987 -8.433 -6.644 468 HB2 TRP 69 HB2 TRP 69 -1.673 -8.775 -7.377 469 HB3 TRP 69 HB3 TRP 69 -1.791 -7.265 -6.473 470 HD1 TRP 69 HD1 TRP 69 -0.081 -10.599 -6.488 471 HE1 TRP 69 HE1 TRP 69 1.462 -10.806 -4.433 472 HE3 TRP 69 HE3 TRP 69 -1.610 -6.528 -3.851 473 HZ2 TRP 69 HZ2 TRP 69 1.967 -9.431 -1.984 474 HZ3 TRP 69 HZ3 TRP 69 -0.587 -5.993 -1.645 475 HH2 TRP 69 HH2 TRP 69 1.198 -7.447 -0.715 476 H ARG 70 H ARG 70 -3.470 -10.502 -7.736 477 HA ARG 70 HA ARG 70 -4.217 -12.725 -6.051 478 HB2 ARG 70 HB2 ARG 70 -4.457 -13.972 -8.105 479 HB3 ARG 70 HB3 ARG 70 -5.129 -12.366 -8.368 480 HG2 ARG 70 HG2 ARG 70 -2.771 -11.752 -9.272 481 HG3 ARG 70 HG3 ARG 70 -2.535 -13.506 -9.306 482 HD2 ARG 70 HD2 ARG 70 -3.291 -12.755 -11.499 483 HD3 ARG 70 HD3 ARG 70 -4.571 -13.694 -10.733 484 HE ARG 70 HE ARG 70 -5.879 -11.772 -10.679 485 HH11 ARG 70 HH11 ARG 70 -2.531 -10.827 -11.188 486 HH12 ARG 70 HH12 ARG 70 -2.918 -9.163 -11.479 487 HH21 ARG 70 HH21 ARG 70 -6.335 -9.575 -11.094 488 HH22 ARG 70 HH22 ARG 70 -5.047 -8.467 -11.423 489 HA PRO 71 HA PRO 71 -0.116 -14.312 -5.284 490 HB2 PRO 71 HB2 PRO 71 -0.543 -16.913 -4.845 491 HB3 PRO 71 HB3 PRO 71 -1.223 -15.664 -3.774 492 HG2 PRO 71 HG2 PRO 71 -2.557 -17.099 -6.044 493 HG3 PRO 71 HG3 PRO 71 -3.144 -16.866 -4.376 494 HD2 PRO 71 HD2 PRO 71 -3.942 -15.320 -6.444 495 HD3 PRO 71 HD3 PRO 71 -3.757 -14.673 -4.794 496 H GLN 72 H GLN 72 -1.915 -16.335 -7.617 497 HA GLN 72 HA GLN 72 0.296 -17.725 -8.690 498 HB2 GLN 72 HB2 GLN 72 -2.481 -17.215 -9.752 499 HB3 GLN 72 HB3 GLN 72 -1.310 -18.259 -10.564 500 HG2 GLN 72 HG2 GLN 72 -1.174 -19.720 -8.644 501 HG3 GLN 72 HG3 GLN 72 -2.150 -18.615 -7.674 502 HE21 GLN 72 HE21 GLN 72 -2.726 -21.480 -8.410 503 HE22 GLN 72 HE22 GLN 72 -4.229 -21.447 -9.197 504 H GLY 73 H GLY 73 -1.301 -14.791 -9.629 505 HA2 GLY 73 HA2 GLY 73 -0.138 -12.985 -10.757 506 HA3 GLY 73 HA3 GLY 73 0.827 -14.204 -11.595 507 H LYS 74 H LYS 74 -1.792 -15.823 -11.895 508 HA LYS 74 HA LYS 74 -3.229 -14.192 -13.861 509 HB2 LYS 74 HB2 LYS 74 -2.148 -16.962 -14.454 510 HB3 LYS 74 HB3 LYS 74 -3.209 -16.030 -15.508 511 HG2 LYS 74 HG2 LYS 74 -0.486 -15.036 -14.597 512 HG3 LYS 74 HG3 LYS 74 -0.729 -15.928 -16.099 513 HD2 LYS 74 HD2 LYS 74 -2.228 -13.361 -15.449 514 HD3 LYS 74 HD3 LYS 74 -0.712 -13.392 -16.338 515 HE2 LYS 74 HE2 LYS 74 -1.752 -14.904 -18.022 516 HE3 LYS 74 HE3 LYS 74 -3.286 -14.774 -17.160 517 HZ1 LYS 74 HZ1 LYS 74 -2.873 -13.210 -19.112 518 HZ2 LYS 74 HZ2 LYS 74 -1.832 -12.370 -18.063 519 HZ3 LYS 74 HZ3 LYS 74 -3.480 -12.537 -17.679 520 H SER 75 H SER 75 -5.295 -14.253 -13.369 521 HA SER 75 HA SER 75 -6.450 -16.723 -12.203 522 HB2 SER 75 HB2 SER 75 -7.154 -13.824 -11.696 523 HB3 SER 75 HB3 SER 75 -8.195 -15.155 -11.214 524 HG SER 75 HG SER 75 -5.500 -15.362 -10.473 525 H TYR 76 H TYR 76 -8.341 -17.538 -13.098 526 HA TYR 76 HA TYR 76 -9.254 -16.193 -15.580 527 HB2 TYR 76 HB2 TYR 76 -9.297 -19.133 -14.845 528 HB3 TYR 76 HB3 TYR 76 -10.006 -18.455 -16.314 529 HD1 TYR 76 HD1 TYR 76 -6.889 -19.289 -14.561 530 HD2 TYR 76 HD2 TYR 76 -8.580 -17.485 -18.072 531 HE1 TYR 76 HE1 TYR 76 -4.671 -19.366 -15.667 532 HE2 TYR 76 HE2 TYR 76 -6.363 -17.563 -19.180 533 HH TYR 76 HH TYR 76 -3.978 -17.654 -18.513 534 H LEU 77 H LEU 77 -10.768 -14.872 -14.556 535 HA LEU 77 HA LEU 77 -13.301 -16.220 -14.005 536 HB2 LEU 77 HB2 LEU 77 -11.997 -14.266 -12.109 537 HB3 LEU 77 HB3 LEU 77 -13.737 -14.556 -12.115 538 HG LEU 77 HG LEU 77 -11.706 -16.791 -11.843 539 HD11 LEU 77 HD11 LEU 77 -12.144 -16.706 -9.429 540 HD12 LEU 77 HD12 LEU 77 -13.221 -15.328 -9.658 541 HD13 LEU 77 HD13 LEU 77 -11.495 -15.159 -9.974 542 HD21 LEU 77 HD21 LEU 77 -14.701 -16.524 -11.416 543 HD22 LEU 77 HD22 LEU 77 -13.775 -17.891 -10.793 544 HD23 LEU 77 HD23 LEU 77 -13.865 -17.606 -12.530 545 H TYR 78 H TYR 78 -15.145 -14.989 -14.469 546 HA TYR 78 HA TYR 78 -14.638 -12.680 -16.218 547 HB2 TYR 78 HB2 TYR 78 -16.094 -14.565 -17.015 548 HB3 TYR 78 HB3 TYR 78 -17.242 -14.165 -15.734 549 HD1 TYR 78 HD1 TYR 78 -15.585 -12.898 -18.808 550 HD2 TYR 78 HD2 TYR 78 -18.712 -12.269 -15.929 551 HE1 TYR 78 HE1 TYR 78 -16.568 -11.139 -20.256 552 HE2 TYR 78 HE2 TYR 78 -19.693 -10.513 -17.377 553 HH TYR 78 HH TYR 78 -18.089 -9.036 -19.816 554 H PHE 79 H PHE 79 -14.249 -11.041 -14.791 555 HA PHE 79 HA PHE 79 -15.848 -10.617 -12.439 556 HB2 PHE 79 HB2 PHE 79 -13.718 -8.936 -13.770 557 HB3 PHE 79 HB3 PHE 79 -14.498 -8.517 -12.244 558 HD1 PHE 79 HD1 PHE 79 -12.128 -10.759 -13.916 559 HD2 PHE 79 HD2 PHE 79 -14.163 -9.910 -10.230 560 HE1 PHE 79 HE1 PHE 79 -10.552 -12.241 -12.706 561 HE2 PHE 79 HE2 PHE 79 -12.587 -11.395 -9.018 562 HZ PHE 79 HZ PHE 79 -10.781 -12.559 -10.256 563 H THR 80 H THR 80 -17.535 -9.276 -12.136 564 HA THR 80 HA THR 80 -18.845 -8.117 -14.424 565 HB THR 80 HB THR 80 -19.488 -7.854 -11.470 566 HG1 THR 80 HG1 THR 80 -19.923 -9.892 -11.819 567 HG21 THR 80 HG21 THR 80 -20.490 -6.101 -12.999 568 HG22 THR 80 HG22 THR 80 -21.677 -7.102 -12.163 569 HG23 THR 80 HG23 THR 80 -21.301 -7.410 -13.858 570 H GLN 81 H GLN 81 -17.097 -6.894 -11.588 571 HA GLN 81 HA GLN 81 -15.901 -4.720 -12.849 572 HB2 GLN 81 HB2 GLN 81 -17.179 -2.799 -11.902 573 HB3 GLN 81 HB3 GLN 81 -18.089 -3.688 -13.121 574 HG2 GLN 81 HG2 GLN 81 -19.216 -4.958 -11.259 575 HG3 GLN 81 HG3 GLN 81 -18.373 -3.921 -10.103 576 HE21 GLN 81 HE21 GLN 81 -21.304 -4.233 -11.645 577 HE22 GLN 81 HE22 GLN 81 -21.788 -2.606 -11.640 578 H PHE 82 H PHE 82 -15.058 -3.060 -11.212 579 HA PHE 82 HA PHE 82 -14.656 -4.351 -8.574 580 HB2 PHE 82 HB2 PHE 82 -12.573 -2.906 -10.204 581 HB3 PHE 82 HB3 PHE 82 -12.359 -3.561 -8.581 582 HD1 PHE 82 HD1 PHE 82 -12.702 -4.396 -12.146 583 HD2 PHE 82 HD2 PHE 82 -12.240 -5.986 -8.183 584 HE1 PHE 82 HE1 PHE 82 -12.099 -6.602 -13.104 585 HE2 PHE 82 HE2 PHE 82 -11.640 -8.195 -9.140 586 HZ PHE 82 HZ PHE 82 -11.569 -8.503 -11.602 587 H LYS 83 H LYS 83 -14.493 -2.988 -6.815 588 HA LYS 83 HA LYS 83 -14.579 -0.092 -7.254 589 HB2 LYS 83 HB2 LYS 83 -16.605 -1.559 -5.530 590 HB3 LYS 83 HB3 LYS 83 -16.455 0.187 -5.714 591 HG2 LYS 83 HG2 LYS 83 -16.862 -0.044 -8.139 592 HG3 LYS 83 HG3 LYS 83 -17.044 -1.777 -7.926 593 HD2 LYS 83 HD2 LYS 83 -18.925 -1.458 -6.403 594 HD3 LYS 83 HD3 LYS 83 -18.793 0.295 -6.579 595 HE2 LYS 83 HE2 LYS 83 -19.169 0.097 -8.967 596 HE3 LYS 83 HE3 LYS 83 -19.305 -1.658 -8.834 597 HZ1 LYS 83 HZ1 LYS 83 -21.100 0.389 -7.630 598 HZ2 LYS 83 HZ2 LYS 83 -21.166 -1.263 -7.242 599 HZ3 LYS 83 HZ3 LYS 83 -21.498 -0.744 -8.827 600 H ALA 84 H ALA 84 -13.714 1.113 -5.555 601 HA ALA 84 HA ALA 84 -12.829 -0.305 -3.146 602 HB1 ALA 84 HB1 ALA 84 -10.905 1.279 -4.855 603 HB2 ALA 84 HB2 ALA 84 -10.992 -0.481 -4.827 604 HB3 ALA 84 HB3 ALA 84 -10.534 0.401 -3.370 605 H GLU 85 H GLU 85 -12.612 0.984 -1.342 606 HA GLU 85 HA GLU 85 -12.604 3.860 -1.568 607 HB2 GLU 85 HB2 GLU 85 -14.707 4.246 -0.369 608 HB3 GLU 85 HB3 GLU 85 -15.001 3.363 -1.864 609 HG2 GLU 85 HG2 GLU 85 -15.074 1.230 -0.605 610 HG3 GLU 85 HG3 GLU 85 -14.811 2.119 0.900 611 H VAL 86 H VAL 86 -12.581 4.897 0.671 612 HA VAL 86 HA VAL 86 -11.442 3.057 2.697 613 HB VAL 86 HB VAL 86 -9.763 4.766 3.282 614 HG11 VAL 86 HG11 VAL 86 -9.786 3.783 0.415 615 HG12 VAL 86 HG12 VAL 86 -9.056 2.990 1.811 616 HG13 VAL 86 HG13 VAL 86 -8.369 4.491 1.190 617 HG21 VAL 86 HG21 VAL 86 -10.905 6.772 2.445 618 HG22 VAL 86 HG22 VAL 86 -10.808 6.168 0.791 619 HG23 VAL 86 HG23 VAL 86 -9.337 6.619 1.653 620 H ARG 87 H ARG 87 -11.456 3.859 4.895 621 HA ARG 87 HA ARG 87 -13.497 5.945 5.385 622 HB2 ARG 87 HB2 ARG 87 -13.253 3.321 6.879 623 HB3 ARG 87 HB3 ARG 87 -14.368 4.627 7.278 624 HG2 ARG 87 HG2 ARG 87 -14.335 3.298 4.565 625 HG3 ARG 87 HG3 ARG 87 -15.335 2.702 5.889 626 HD2 ARG 87 HD2 ARG 87 -15.442 5.543 4.815 627 HD3 ARG 87 HD3 ARG 87 -16.552 4.258 4.346 628 HE ARG 87 HE ARG 87 -16.626 4.354 7.126 629 HH11 ARG 87 HH11 ARG 87 -17.350 6.575 4.501 630 HH12 ARG 87 HH12 ARG 87 -18.565 7.425 5.395 631 HH21 ARG 87 HH21 ARG 87 -18.230 5.482 8.248 632 HH22 ARG 87 HH22 ARG 87 -19.059 6.808 7.503 633 H GLY 88 H GLY 88 -13.122 7.346 6.995 634 HA2 GLY 88 HA2 GLY 88 -12.083 8.347 8.814 635 HA3 GLY 88 HA3 GLY 88 -11.091 6.903 9.009 636 H ALA 89 H ALA 89 -10.850 7.787 5.796 637 HA ALA 89 HA ALA 89 -8.762 9.794 6.112 638 HB1 ALA 89 HB1 ALA 89 -7.825 7.495 4.517 639 HB2 ALA 89 HB2 ALA 89 -8.007 7.161 6.233 640 HB3 ALA 89 HB3 ALA 89 -6.970 8.481 5.702 641 H GLU 90 H GLU 90 -7.974 10.593 4.052 642 HA GLU 90 HA GLU 90 -9.989 10.350 1.912 643 HB2 GLU 90 HB2 GLU 90 -9.108 12.529 1.094 644 HB3 GLU 90 HB3 GLU 90 -9.737 12.641 2.735 645 HG2 GLU 90 HG2 GLU 90 -7.413 12.404 3.613 646 HG3 GLU 90 HG3 GLU 90 -6.813 12.381 1.953 647 H ILE 91 H ILE 91 -9.353 9.971 -0.211 648 HA ILE 91 HA ILE 91 -6.850 8.496 -0.463 649 HB ILE 91 HB ILE 91 -9.103 8.894 -2.477 650 HG12 ILE 91 HG12 ILE 91 -8.480 6.446 -0.774 651 HG13 ILE 91 HG13 ILE 91 -9.657 7.672 -0.292 652 HG21 ILE 91 HG21 ILE 91 -7.128 8.269 -3.693 653 HG22 ILE 91 HG22 ILE 91 -8.029 6.770 -3.465 654 HG23 ILE 91 HG23 ILE 91 -6.636 7.123 -2.444 655 HD11 ILE 91 HD11 ILE 91 -10.661 5.672 -1.479 656 HD12 ILE 91 HD12 ILE 91 -9.796 6.177 -2.931 657 HD13 ILE 91 HD13 ILE 91 -11.029 7.225 -2.230 658 H GLU 92 H GLU 92 -5.036 9.381 -1.133 659 HA GLU 92 HA GLU 92 -4.989 11.996 -2.403 660 HB2 GLU 92 HB2 GLU 92 -2.734 10.108 -1.664 661 HB3 GLU 92 HB3 GLU 92 -2.536 11.757 -2.255 662 HG2 GLU 92 HG2 GLU 92 -3.809 12.597 -0.286 663 HG3 GLU 92 HG3 GLU 92 -3.939 10.937 0.302 664 H TYR 93 H TYR 93 -4.164 8.630 -3.182 665 HA TYR 93 HA TYR 93 -4.705 9.055 -5.970 666 HB2 TYR 93 HB2 TYR 93 -2.385 9.954 -5.702 667 HB3 TYR 93 HB3 TYR 93 -1.867 8.341 -5.215 668 HD1 TYR 93 HD1 TYR 93 -3.691 10.130 -7.962 669 HD2 TYR 93 HD2 TYR 93 -1.207 6.797 -6.876 670 HE1 TYR 93 HE1 TYR 93 -3.489 9.502 -10.351 671 HE2 TYR 93 HE2 TYR 93 -1.008 6.171 -9.266 672 HH TYR 93 HH TYR 93 -1.230 7.131 -11.442 673 H ALA 94 H ALA 94 -5.651 7.279 -6.625 674 HA ALA 94 HA ALA 94 -4.858 4.655 -5.570 675 HB1 ALA 94 HB1 ALA 94 -6.962 4.991 -4.604 676 HB2 ALA 94 HB2 ALA 94 -7.353 4.114 -6.084 677 HB3 ALA 94 HB3 ALA 94 -7.574 5.863 -6.009 678 H MET 95 H MET 95 -4.500 3.086 -7.096 679 HA MET 95 HA MET 95 -5.511 3.379 -9.803 680 HB2 MET 95 HB2 MET 95 -3.276 3.157 -10.850 681 HB3 MET 95 HB3 MET 95 -3.418 4.652 -9.919 682 HG2 MET 95 HG2 MET 95 -2.238 3.607 -8.025 683 HG3 MET 95 HG3 MET 95 -2.128 2.090 -8.921 684 HE1 MET 95 HE1 MET 95 0.490 3.825 -7.689 685 HE2 MET 95 HE2 MET 95 1.511 3.124 -8.941 686 HE3 MET 95 HE3 MET 95 0.221 2.160 -8.229 687 H ALA 96 H ALA 96 -5.023 1.483 -11.143 688 HA ALA 96 HA ALA 96 -4.472 -0.966 -9.603 689 HB1 ALA 96 HB1 ALA 96 -6.959 -0.574 -9.881 690 HB2 ALA 96 HB2 ALA 96 -6.364 -2.094 -10.549 691 HB3 ALA 96 HB3 ALA 96 -6.711 -0.733 -11.618 692 H TYR 97 H TYR 97 -3.579 -2.671 -10.830 693 HA TYR 97 HA TYR 97 -2.592 -1.854 -13.510 694 HB2 TYR 97 HB2 TYR 97 -1.237 -3.502 -11.377 695 HB3 TYR 97 HB3 TYR 97 -0.646 -3.375 -13.035 696 HD1 TYR 97 HD1 TYR 97 -1.094 -1.624 -9.838 697 HD2 TYR 97 HD2 TYR 97 0.175 -1.235 -13.922 698 HE1 TYR 97 HE1 TYR 97 0.021 0.526 -9.290 699 HE2 TYR 97 HE2 TYR 97 1.288 0.910 -13.374 700 HH TYR 97 HH TYR 97 1.259 2.630 -11.755 701 H SER 98 H SER 98 -3.564 -2.908 -15.081 702 HA SER 98 HA SER 98 -4.981 -5.352 -14.798 703 HB2 SER 98 HB2 SER 98 -3.931 -3.928 -17.250 704 HB3 SER 98 HB3 SER 98 -4.969 -5.352 -17.301 705 HG SER 98 HG SER 98 -6.290 -3.578 -17.375 706 H LYS 99 H LYS 99 -1.743 -4.550 -15.940 707 HA LYS 99 HA LYS 99 -0.922 -7.338 -15.543 708 HB2 LYS 99 HB2 LYS 99 -1.515 -7.090 -17.963 709 HB3 LYS 99 HB3 LYS 99 -0.302 -5.820 -18.095 710 HG2 LYS 99 HG2 LYS 99 0.796 -7.803 -18.836 711 HG3 LYS 99 HG3 LYS 99 1.382 -7.537 -17.191 712 HD2 LYS 99 HD2 LYS 99 -0.251 -9.161 -16.323 713 HD3 LYS 99 HD3 LYS 99 -0.885 -9.409 -17.950 714 HE2 LYS 99 HE2 LYS 99 2.014 -9.891 -17.231 715 HE3 LYS 99 HE3 LYS 99 0.788 -11.156 -17.163 716 HZ1 LYS 99 HZ1 LYS 99 2.196 -10.719 -19.322 717 HZ2 LYS 99 HZ2 LYS 99 0.982 -9.565 -19.612 718 HZ3 LYS 99 HZ3 LYS 99 0.573 -11.202 -19.410 719 H ALA 100 H ALA 100 0.976 -7.476 -14.557 720 HA ALA 100 HA ALA 100 2.454 -5.060 -13.902 721 HB1 ALA 100 HB1 ALA 100 3.738 -6.488 -12.411 722 HB2 ALA 100 HB2 ALA 100 3.023 -7.931 -13.131 723 HB3 ALA 100 HB3 ALA 100 2.019 -6.819 -12.199 724 H ALA 101 H ALA 101 4.488 -4.527 -14.600 725 HA ALA 101 HA ALA 101 5.299 -5.377 -17.144 726 HB1 ALA 101 HB1 ALA 101 6.152 -3.303 -16.706 727 HB2 ALA 101 HB2 ALA 101 7.568 -4.257 -16.279 728 HB3 ALA 101 HB3 ALA 101 6.486 -3.674 -15.016 729 H PHE 102 H PHE 102 6.541 -6.900 -17.878 730 HA PHE 102 HA PHE 102 8.058 -8.614 -16.019 731 HB2 PHE 102 HB2 PHE 102 6.072 -9.623 -17.380 732 HB3 PHE 102 HB3 PHE 102 7.148 -9.471 -18.771 733 HD1 PHE 102 HD1 PHE 102 7.006 -10.856 -15.294 734 HD2 PHE 102 HD2 PHE 102 8.767 -11.150 -19.203 735 HE1 PHE 102 HE1 PHE 102 8.153 -12.947 -14.620 736 HE2 PHE 102 HE2 PHE 102 9.916 -13.242 -18.526 737 HZ PHE 102 HZ PHE 102 9.609 -14.140 -16.236 738 H GLU 103 H GLU 103 9.973 -9.695 -17.252 739 HA GLU 103 HA GLU 103 11.787 -7.726 -18.056 740 HB2 GLU 103 HB2 GLU 103 12.424 -10.008 -17.265 741 HB3 GLU 103 HB3 GLU 103 11.842 -10.675 -18.792 742 HG2 GLU 103 HG2 GLU 103 13.490 -9.332 -20.027 743 HG3 GLU 103 HG3 GLU 103 14.061 -8.622 -18.512 744 H ARG 104 H ARG 104 9.625 -9.786 -19.980 745 HA ARG 104 HA ARG 104 10.416 -8.339 -22.429 746 HB2 ARG 104 HB2 ARG 104 9.087 -11.020 -22.039 747 HB3 ARG 104 HB3 ARG 104 9.252 -10.227 -23.611 748 HG2 ARG 104 HG2 ARG 104 11.733 -10.082 -23.184 749 HG3 ARG 104 HG3 ARG 104 11.487 -11.099 -21.760 750 HD2 ARG 104 HD2 ARG 104 10.676 -11.861 -24.579 751 HD3 ARG 104 HD3 ARG 104 12.149 -12.407 -23.785 752 HE ARG 104 HE ARG 104 9.421 -13.292 -23.209 753 HH11 ARG 104 HH11 ARG 104 12.779 -13.269 -22.160 754 HH12 ARG 104 HH12 ARG 104 12.587 -14.638 -21.117 755 HH21 ARG 104 HH21 ARG 104 9.216 -15.069 -21.825 756 HH22 ARG 104 HH22 ARG 104 10.580 -15.648 -20.930 757 H GLU 105 H GLU 105 8.164 -7.927 -20.098 758 HA GLU 105 HA GLU 105 6.117 -7.001 -22.031 759 HB2 GLU 105 HB2 GLU 105 5.521 -8.324 -19.372 760 HB3 GLU 105 HB3 GLU 105 4.336 -7.680 -20.503 761 HG2 GLU 105 HG2 GLU 105 5.144 -9.276 -22.235 762 HG3 GLU 105 HG3 GLU 105 6.254 -9.963 -21.052 763 H SER 106 H SER 106 5.009 -5.121 -21.519 764 HA SER 106 HA SER 106 6.345 -3.374 -19.599 765 HB2 SER 106 HB2 SER 106 5.142 -1.567 -20.670 766 HB3 SER 106 HB3 SER 106 5.862 -2.593 -21.907 767 HG SER 106 HG SER 106 3.172 -2.591 -20.979 768 H ASP 107 H ASP 107 4.973 -1.867 -18.282 769 HA ASP 107 HA ASP 107 2.951 -3.385 -16.801 770 HB2 ASP 107 HB2 ASP 107 4.790 -2.157 -15.604 771 HB3 ASP 107 HB3 ASP 107 4.100 -0.648 -16.193 772 H VAL 108 H VAL 108 0.871 -3.226 -17.410 773 HA VAL 108 HA VAL 108 -0.043 -0.760 -18.756 774 HB VAL 108 HB VAL 108 -1.323 -3.517 -18.634 775 HG11 VAL 108 HG11 VAL 108 -3.033 -1.804 -18.938 776 HG12 VAL 108 HG12 VAL 108 -2.763 -2.600 -20.488 777 HG13 VAL 108 HG13 VAL 108 -2.071 -1.007 -20.184 778 HG21 VAL 108 HG21 VAL 108 0.714 -3.553 -19.976 779 HG22 VAL 108 HG22 VAL 108 0.234 -2.080 -20.818 780 HG23 VAL 108 HG23 VAL 108 -0.670 -3.575 -21.068 781 HA PRO 109 HA PRO 109 -2.355 -0.200 -14.781 782 HB2 PRO 109 HB2 PRO 109 -2.420 2.437 -14.662 783 HB3 PRO 109 HB3 PRO 109 -0.877 1.577 -14.451 784 HG2 PRO 109 HG2 PRO 109 -1.920 2.972 -16.879 785 HG3 PRO 109 HG3 PRO 109 -0.292 3.017 -16.169 786 HD2 PRO 109 HD2 PRO 109 -1.028 1.389 -18.301 787 HD3 PRO 109 HD3 PRO 109 0.357 1.077 -17.229 788 H LEU 110 H LEU 110 -4.531 0.257 -14.343 789 HA LEU 110 HA LEU 110 -6.339 0.545 -16.596 790 HB2 LEU 110 HB2 LEU 110 -6.790 0.155 -13.639 791 HB3 LEU 110 HB3 LEU 110 -8.114 0.417 -14.781 792 HG LEU 110 HG LEU 110 -6.040 -1.769 -15.164 793 HD11 LEU 110 HD11 LEU 110 -8.741 -1.896 -13.790 794 HD12 LEU 110 HD12 LEU 110 -7.173 -2.192 -13.039 795 HD13 LEU 110 HD13 LEU 110 -7.791 -3.303 -14.258 796 HD21 LEU 110 HD21 LEU 110 -7.267 -1.242 -17.186 797 HD22 LEU 110 HD22 LEU 110 -8.793 -1.178 -16.304 798 HD23 LEU 110 HD23 LEU 110 -7.971 -2.721 -16.531 799 H LYS 111 H LYS 111 -7.889 2.168 -16.865 800 HA LYS 111 HA LYS 111 -7.023 4.810 -16.227 801 HB2 LYS 111 HB2 LYS 111 -8.133 4.199 -18.364 802 HB3 LYS 111 HB3 LYS 111 -9.615 3.847 -17.473 803 HG2 LYS 111 HG2 LYS 111 -9.937 6.126 -16.882 804 HG3 LYS 111 HG3 LYS 111 -8.270 6.553 -17.280 805 HD2 LYS 111 HD2 LYS 111 -9.683 7.382 -19.069 806 HD3 LYS 111 HD3 LYS 111 -8.784 6.005 -19.700 807 HE2 LYS 111 HE2 LYS 111 -11.077 5.758 -20.425 808 HE3 LYS 111 HE3 LYS 111 -10.804 4.561 -19.160 809 HZ1 LYS 111 HZ1 LYS 111 -11.915 5.898 -17.589 810 HZ2 LYS 111 HZ2 LYS 111 -12.903 5.887 -18.972 811 HZ3 LYS 111 HZ3 LYS 111 -11.941 7.242 -18.622 812 H THR 112 H THR 112 -7.558 6.023 -14.551 813 HA THR 112 HA THR 112 -8.987 5.054 -12.318 814 HB THR 112 HB THR 112 -8.269 7.927 -13.013 815 HG1 THR 112 HG1 THR 112 -6.484 7.407 -11.612 816 HG21 THR 112 HG21 THR 112 -9.899 7.879 -11.217 817 HG22 THR 112 HG22 THR 112 -8.316 8.197 -10.509 818 HG23 THR 112 HG23 THR 112 -9.024 6.586 -10.398 819 H GLU 113 H GLU 113 -9.905 7.107 -15.019 820 HA GLU 113 HA GLU 113 -12.413 7.978 -14.039 821 HB2 GLU 113 HB2 GLU 113 -11.317 7.745 -16.837 822 HB3 GLU 113 HB3 GLU 113 -12.894 8.454 -16.474 823 HG2 GLU 113 HG2 GLU 113 -11.864 10.118 -15.043 824 HG3 GLU 113 HG3 GLU 113 -10.284 9.366 -15.231 825 H GLU 114 H GLU 114 -11.505 4.858 -14.896 826 HA GLU 114 HA GLU 114 -13.802 3.882 -16.223 827 HB2 GLU 114 HB2 GLU 114 -11.566 2.717 -16.012 828 HB3 GLU 114 HB3 GLU 114 -12.034 2.288 -14.363 829 HG2 GLU 114 HG2 GLU 114 -12.605 0.459 -15.827 830 HG3 GLU 114 HG3 GLU 114 -14.094 1.227 -15.284 831 H PHE 115 H PHE 115 -13.218 4.625 -12.884 832 HA PHE 115 HA PHE 115 -15.967 3.942 -12.167 833 HB2 PHE 115 HB2 PHE 115 -15.300 2.650 -10.178 834 HB3 PHE 115 HB3 PHE 115 -14.730 1.873 -11.656 835 HD1 PHE 115 HD1 PHE 115 -13.740 3.720 -8.627 836 HD2 PHE 115 HD2 PHE 115 -12.345 1.864 -12.240 837 HE1 PHE 115 HE1 PHE 115 -11.413 3.811 -7.774 838 HE2 PHE 115 HE2 PHE 115 -10.016 1.954 -11.387 839 HZ PHE 115 HZ PHE 115 -9.551 2.928 -9.153 840 H GLU 116 H GLU 116 -16.587 4.801 -10.021 841 HA GLU 116 HA GLU 116 -15.062 7.255 -9.370 842 HB2 GLU 116 HB2 GLU 116 -17.245 7.667 -10.447 843 HB3 GLU 116 HB3 GLU 116 -18.046 6.763 -9.157 844 HG2 GLU 116 HG2 GLU 116 -18.199 9.160 -8.672 845 HG3 GLU 116 HG3 GLU 116 -17.140 8.393 -7.493 846 H VAL 117 H VAL 117 -14.379 7.553 -7.344 847 HA VAL 117 HA VAL 117 -15.493 5.897 -5.139 848 HB VAL 117 HB VAL 117 -12.564 6.607 -5.589 849 HG11 VAL 117 HG11 VAL 117 -13.132 6.567 -3.197 850 HG12 VAL 117 HG12 VAL 117 -12.157 5.159 -3.613 851 HG13 VAL 117 HG13 VAL 117 -13.898 4.989 -3.391 852 HG21 VAL 117 HG21 VAL 117 -14.116 4.015 -5.843 853 HG22 VAL 117 HG22 VAL 117 -12.359 4.064 -5.711 854 HG23 VAL 117 HG23 VAL 117 -13.161 4.825 -7.083 855 H THR 118 H THR 118 -16.171 7.050 -3.444 856 HA THR 118 HA THR 118 -15.098 9.765 -3.003 857 HB THR 118 HB THR 118 -18.015 9.047 -2.629 858 HG1 THR 118 HG1 THR 118 -18.304 10.262 -4.532 859 HG21 THR 118 HG21 THR 118 -18.172 11.582 -2.624 860 HG22 THR 118 HG22 THR 118 -16.414 11.605 -2.510 861 HG23 THR 118 HG23 THR 118 -17.370 10.870 -1.222 862 H LYS 119 H LYS 119 -15.225 10.508 -0.833 863 HA LYS 119 HA LYS 119 -14.363 8.648 1.071 864 HB2 LYS 119 HB2 LYS 119 -14.538 10.472 2.696 865 HB3 LYS 119 HB3 LYS 119 -13.826 11.047 1.186 866 HG2 LYS 119 HG2 LYS 119 -15.901 12.082 0.505 867 HG3 LYS 119 HG3 LYS 119 -16.793 11.289 1.803 868 HD2 LYS 119 HD2 LYS 119 -16.455 13.502 2.585 869 HD3 LYS 119 HD3 LYS 119 -15.235 12.543 3.423 870 HE2 LYS 119 HE2 LYS 119 -14.159 14.531 2.588 871 HE3 LYS 119 HE3 LYS 119 -13.612 13.166 1.613 872 HZ1 LYS 119 HZ1 LYS 119 -15.064 13.761 -0.128 873 HZ2 LYS 119 HZ2 LYS 119 -14.294 15.201 0.345 874 HZ3 LYS 119 HZ3 LYS 119 -15.893 14.888 0.830 875 H THR 120 H THR 120 -17.578 9.544 0.199 876 HA THR 120 HA THR 120 -18.630 8.202 2.612 877 HB THR 120 HB THR 120 -19.020 10.622 2.405 878 HG1 THR 120 HG1 THR 120 -21.356 9.005 2.207 879 HG21 THR 120 HG21 THR 120 -20.650 11.460 0.764 880 HG22 THR 120 HG22 THR 120 -20.775 9.852 0.050 881 HG23 THR 120 HG23 THR 120 -19.257 10.745 -0.049 882 H ALA 121 H ALA 121 -18.615 8.078 -0.854 883 HA ALA 121 HA ALA 121 -20.255 5.669 -0.788 884 HB1 ALA 121 HB1 ALA 121 -22.045 7.167 -1.087 885 HB2 ALA 121 HB2 ALA 121 -21.679 6.585 -2.710 886 HB3 ALA 121 HB3 ALA 121 -21.126 8.179 -2.201 887 H VAL 122 H VAL 122 -20.309 4.541 -2.879 888 HA VAL 122 HA VAL 122 -18.147 5.280 -4.725 889 HB VAL 122 HB VAL 122 -17.225 3.662 -3.085 890 HG11 VAL 122 HG11 VAL 122 -19.311 2.489 -2.517 891 HG12 VAL 122 HG12 VAL 122 -18.076 1.344 -3.043 892 HG13 VAL 122 HG13 VAL 122 -19.377 1.804 -4.141 893 HG21 VAL 122 HG21 VAL 122 -16.356 2.038 -4.727 894 HG22 VAL 122 HG22 VAL 122 -16.411 3.654 -5.432 895 HG23 VAL 122 HG23 VAL 122 -17.648 2.467 -5.848 896 H ALA 123 H ALA 123 -18.546 4.813 -6.850 897 HA ALA 123 HA ALA 123 -20.683 2.998 -7.611 898 HB1 ALA 123 HB1 ALA 123 -22.056 4.909 -7.335 899 HB2 ALA 123 HB2 ALA 123 -21.736 4.812 -9.065 900 HB3 ALA 123 HB3 ALA 123 -20.858 5.975 -8.071 901 H HIS 124 H HIS 124 -20.551 2.317 -9.749 902 HA HIS 124 HA HIS 124 -17.961 2.668 -10.972 903 HB2 HIS 124 HB2 HIS 124 -18.744 1.003 -12.632 904 HB3 HIS 124 HB3 HIS 124 -18.895 0.435 -10.973 905 HD2 HIS 124 HD2 HIS 124 -21.146 1.112 -14.059 906 HE1 HIS 124 HE1 HIS 124 -23.730 0.233 -10.838 907 HE2 HIS 124 HE2 HIS 124 -23.601 0.583 -13.349 908 H ARG 125 H ARG 125 -17.704 3.093 -13.249 909 HA ARG 125 HA ARG 125 -19.559 5.181 -14.206 910 HB2 ARG 125 HB2 ARG 125 -16.587 4.867 -14.610 911 HB3 ARG 125 HB3 ARG 125 -17.545 6.095 -15.413 912 HG2 ARG 125 HG2 ARG 125 -18.329 6.601 -12.850 913 HG3 ARG 125 HG3 ARG 125 -16.739 5.904 -12.524 914 HD2 ARG 125 HD2 ARG 125 -16.472 8.287 -12.725 915 HD3 ARG 125 HD3 ARG 125 -15.777 7.559 -14.171 916 HE ARG 125 HE ARG 125 -18.554 8.270 -14.503 917 HH11 ARG 125 HH11 ARG 125 -15.280 9.535 -14.645 918 HH12 ARG 125 HH12 ARG 125 -15.699 10.824 -15.724 919 HH21 ARG 125 HH21 ARG 125 -19.057 9.974 -15.890 920 HH22 ARG 125 HH22 ARG 125 -17.822 11.069 -16.418 921 HA PRO 126 HA PRO 126 -20.393 2.762 -17.842 922 HB2 PRO 126 HB2 PRO 126 -20.244 4.576 -19.901 923 HB3 PRO 126 HB3 PRO 126 -21.621 4.462 -18.783 924 HG2 PRO 126 HG2 PRO 126 -19.310 6.347 -18.736 925 HG3 PRO 126 HG3 PRO 126 -21.036 6.670 -18.464 926 HD2 PRO 126 HD2 PRO 126 -19.341 6.464 -16.397 927 HD3 PRO 126 HD3 PRO 126 -21.000 5.821 -16.287 928 H GLY 127 H GLY 127 -19.329 1.606 -19.450 929 HA2 GLY 127 HA2 GLY 127 -17.573 0.978 -20.873 930 HA3 GLY 127 HA3 GLY 127 -16.673 2.403 -20.355 931 H ALA 128 H ALA 128 -17.885 0.842 -17.611 932 HA ALA 128 HA ALA 128 -15.489 0.198 -16.442 933 HB1 ALA 128 HB1 ALA 128 -17.378 0.252 -15.045 934 HB2 ALA 128 HB2 ALA 128 -16.883 -1.441 -15.051 935 HB3 ALA 128 HB3 ALA 128 -18.250 -0.918 -16.036 936 H PHE 129 H PHE 129 -14.217 -1.588 -16.228 937 HA PHE 129 HA PHE 129 -14.137 -3.409 -18.464 938 HB2 PHE 129 HB2 PHE 129 -12.459 -3.173 -15.964 939 HB3 PHE 129 HB3 PHE 129 -12.212 -4.418 -17.183 940 HD1 PHE 129 HD1 PHE 129 -11.462 -1.042 -16.258 941 HD2 PHE 129 HD2 PHE 129 -11.924 -3.645 -19.643 942 HE1 PHE 129 HE1 PHE 129 -10.156 0.541 -17.653 943 HE2 PHE 129 HE2 PHE 129 -10.619 -2.062 -21.037 944 HZ PHE 129 HZ PHE 129 -9.736 0.030 -20.042 945 H LYS 130 H LYS 130 -14.404 -5.650 -18.459 946 HA LYS 130 HA LYS 130 -15.700 -6.791 -16.053 947 HB2 LYS 130 HB2 LYS 130 -16.641 -7.163 -18.911 948 HB3 LYS 130 HB3 LYS 130 -17.305 -7.982 -17.494 949 HG2 LYS 130 HG2 LYS 130 -17.942 -5.812 -16.526 950 HG3 LYS 130 HG3 LYS 130 -17.261 -4.989 -17.936 951 HD2 LYS 130 HD2 LYS 130 -18.860 -6.208 -19.395 952 HD3 LYS 130 HD3 LYS 130 -19.568 -6.963 -17.967 953 HE2 LYS 130 HE2 LYS 130 -19.439 -3.973 -18.452 954 HE3 LYS 130 HE3 LYS 130 -20.864 -4.975 -18.724 955 HZ1 LYS 130 HZ1 LYS 130 -19.532 -4.315 -16.171 956 HZ2 LYS 130 HZ2 LYS 130 -20.532 -5.683 -16.307 957 HZ3 LYS 130 HZ3 LYS 130 -21.163 -4.132 -16.595 958 H ALA 131 H ALA 131 -14.614 -7.753 -19.294 959 HA ALA 131 HA ALA 131 -13.968 -10.407 -18.670 960 HB1 ALA 131 HB1 ALA 131 -14.236 -10.037 -20.935 961 HB2 ALA 131 HB2 ALA 131 -12.479 -10.117 -20.802 962 HB3 ALA 131 HB3 ALA 131 -13.284 -8.553 -20.915 963 H GLU 132 H GLU 132 -12.036 -7.465 -18.553 964 HA GLU 132 HA GLU 132 -9.561 -8.850 -18.228 965 HB2 GLU 132 HB2 GLU 132 -8.534 -6.782 -18.441 966 HB3 GLU 132 HB3 GLU 132 -10.087 -6.445 -19.207 967 HG2 GLU 132 HG2 GLU 132 -10.013 -4.619 -17.792 968 HG3 GLU 132 HG3 GLU 132 -10.735 -5.775 -16.674 969 H LEU 133 H LEU 133 -8.085 -8.528 -16.429 970 HA LEU 133 HA LEU 133 -9.421 -8.404 -13.801 971 HB2 LEU 133 HB2 LEU 133 -7.750 -10.153 -13.020 972 HB3 LEU 133 HB3 LEU 133 -8.989 -10.734 -14.132 973 HG LEU 133 HG LEU 133 -7.205 -10.247 -16.007 974 HD11 LEU 133 HD11 LEU 133 -4.848 -10.684 -15.021 975 HD12 LEU 133 HD12 LEU 133 -5.549 -10.176 -13.491 976 HD13 LEU 133 HD13 LEU 133 -5.512 -9.065 -14.854 977 HD21 LEU 133 HD21 LEU 133 -6.822 -12.507 -14.013 978 HD22 LEU 133 HD22 LEU 133 -6.209 -12.495 -15.667 979 HD23 LEU 133 HD23 LEU 133 -7.948 -12.506 -15.372 980 H SER 134 H SER 134 -7.908 -7.825 -11.973 981 HA SER 134 HA SER 134 -5.355 -6.717 -12.586 982 HB2 SER 134 HB2 SER 134 -6.728 -5.016 -13.698 983 HB3 SER 134 HB3 SER 134 -7.624 -4.758 -12.208 984 HG SER 134 HG SER 134 -5.870 -3.836 -11.313 985 H LYS 135 H LYS 135 -4.588 -5.191 -10.823 986 HA LYS 135 HA LYS 135 -5.472 -6.195 -8.184 987 HB2 LYS 135 HB2 LYS 135 -3.113 -5.712 -7.434 988 HB3 LYS 135 HB3 LYS 135 -3.216 -7.002 -8.627 989 HG2 LYS 135 HG2 LYS 135 -2.504 -5.487 -10.392 990 HG3 LYS 135 HG3 LYS 135 -2.606 -4.103 -9.306 991 HD2 LYS 135 HD2 LYS 135 -0.292 -4.648 -9.363 992 HD3 LYS 135 HD3 LYS 135 -0.875 -5.334 -7.843 993 HE2 LYS 135 HE2 LYS 135 0.502 -6.999 -8.955 994 HE3 LYS 135 HE3 LYS 135 -1.181 -7.530 -9.024 995 HZ1 LYS 135 HZ1 LYS 135 -0.122 -5.897 -11.218 996 HZ2 LYS 135 HZ2 LYS 135 -1.332 -7.090 -11.242 997 HZ3 LYS 135 HZ3 LYS 135 0.306 -7.535 -11.151 998 H LEU 136 H LEU 136 -5.546 -4.719 -6.477 999 HA LEU 136 HA LEU 136 -5.765 -1.885 -7.301 1000 HB2 LEU 136 HB2 LEU 136 -7.424 -3.638 -5.708 1001 HB3 LEU 136 HB3 LEU 136 -6.986 -2.226 -4.762 1002 HG LEU 136 HG LEU 136 -9.115 -1.913 -5.980 1003 HD11 LEU 136 HD11 LEU 136 -7.105 -0.089 -7.272 1004 HD12 LEU 136 HD12 LEU 136 -7.435 -0.028 -5.540 1005 HD13 LEU 136 HD13 LEU 136 -8.730 0.280 -6.694 1006 HD21 LEU 136 HD21 LEU 136 -7.453 -2.105 -8.522 1007 HD22 LEU 136 HD22 LEU 136 -9.169 -1.716 -8.442 1008 HD23 LEU 136 HD23 LEU 136 -8.609 -3.324 -7.979 1009 H VAL 137 H VAL 137 -4.206 -0.669 -6.753 1010 HA VAL 137 HA VAL 137 -2.939 -0.936 -4.099 1011 HB VAL 137 HB VAL 137 -1.355 -1.819 -5.806 1012 HG11 VAL 137 HG11 VAL 137 -0.558 -0.516 -7.638 1013 HG12 VAL 137 HG12 VAL 137 -1.337 0.946 -7.032 1014 HG13 VAL 137 HG13 VAL 137 -2.315 -0.373 -7.675 1015 HG21 VAL 137 HG21 VAL 137 -0.535 0.914 -4.749 1016 HG22 VAL 137 HG22 VAL 137 0.567 -0.364 -5.263 1017 HG23 VAL 137 HG23 VAL 137 -0.449 -0.598 -3.840 1018 H ILE 138 H ILE 138 -3.356 0.795 -2.971 1019 HA ILE 138 HA ILE 138 -3.543 3.401 -4.340 1020 HB ILE 138 HB ILE 138 -5.689 3.848 -3.279 1021 HG12 ILE 138 HG12 ILE 138 -5.417 1.003 -2.216 1022 HG13 ILE 138 HG13 ILE 138 -5.439 2.530 -1.320 1023 HG21 ILE 138 HG21 ILE 138 -7.029 2.503 -4.768 1024 HG22 ILE 138 HG22 ILE 138 -5.878 1.168 -4.705 1025 HG23 ILE 138 HG23 ILE 138 -5.460 2.651 -5.555 1026 HD11 ILE 138 HD11 ILE 138 -7.726 1.217 -2.784 1027 HD12 ILE 138 HD12 ILE 138 -7.786 2.909 -2.271 1028 HD13 ILE 138 HD13 ILE 138 -7.643 1.621 -1.067 1029 H VAL 139 H VAL 139 -3.301 5.221 -3.079 1030 HA VAL 139 HA VAL 139 -2.258 4.813 -0.335 1031 HB VAL 139 HB VAL 139 -1.248 6.798 -2.412 1032 HG11 VAL 139 HG11 VAL 139 -0.461 6.297 0.474 1033 HG12 VAL 139 HG12 VAL 139 -1.042 7.804 -0.234 1034 HG13 VAL 139 HG13 VAL 139 0.554 7.190 -0.661 1035 HG21 VAL 139 HG21 VAL 139 -0.456 4.558 -2.919 1036 HG22 VAL 139 HG22 VAL 139 -0.029 4.281 -1.230 1037 HG23 VAL 139 HG23 VAL 139 0.875 5.454 -2.186 1038 H ALA 140 H ALA 140 -3.256 5.956 1.197 1039 HA ALA 140 HA ALA 140 -4.802 8.357 0.461 1040 HB1 ALA 140 HB1 ALA 140 -6.484 6.702 0.601 1041 HB2 ALA 140 HB2 ALA 140 -6.540 7.558 2.143 1042 HB3 ALA 140 HB3 ALA 140 -5.761 5.978 2.038 1043 H LYS 141 H LYS 141 -4.975 9.951 2.010 1044 HA LYS 141 HA LYS 141 -3.065 9.744 4.241 1045 HB2 LYS 141 HB2 LYS 141 -3.583 11.790 2.324 1046 HB3 LYS 141 HB3 LYS 141 -4.138 12.434 3.859 1047 HG2 LYS 141 HG2 LYS 141 -1.804 11.540 4.731 1048 HG3 LYS 141 HG3 LYS 141 -1.370 11.578 3.020 1049 HD2 LYS 141 HD2 LYS 141 -2.084 13.970 2.930 1050 HD3 LYS 141 HD3 LYS 141 -2.389 13.915 4.666 1051 HE2 LYS 141 HE2 LYS 141 -0.012 13.230 5.010 1052 HE3 LYS 141 HE3 LYS 141 0.253 13.459 3.282 1053 HZ1 LYS 141 HZ1 LYS 141 -0.675 15.779 3.665 1054 HZ2 LYS 141 HZ2 LYS 141 0.895 15.467 4.238 1055 HZ3 LYS 141 HZ3 LYS 141 -0.418 15.495 5.316 1056 H ALA 142 H ALA 142 -3.624 10.439 6.347 1057 HA ALA 142 HA ALA 142 -6.206 9.690 7.236 1058 HB1 ALA 142 HB1 ALA 142 -5.337 11.010 9.364 1059 HB2 ALA 142 HB2 ALA 142 -3.806 10.943 8.495 1060 HB3 ALA 142 HB3 ALA 142 -4.647 9.451 8.916 1061 H SER 143 H SER 143 -7.999 10.854 7.752 1062 HA SER 143 HA SER 143 -8.492 13.316 6.463 1063 HB2 SER 143 HB2 SER 143 -9.995 11.907 8.678 1064 HB3 SER 143 HB3 SER 143 -10.586 13.339 7.845 1065 HG SER 143 HG SER 143 -10.783 12.190 6.008 1066 H ARG 144 H ARG 144 -7.648 12.516 9.799 1067 HA ARG 144 HA ARG 144 -7.187 15.386 10.340 1068 HB2 ARG 144 HB2 ARG 144 -9.165 14.290 11.565 1069 HB3 ARG 144 HB3 ARG 144 -7.952 13.362 12.447 1070 HG2 ARG 144 HG2 ARG 144 -8.343 15.247 13.827 1071 HG3 ARG 144 HG3 ARG 144 -6.854 15.647 12.976 1072 HD2 ARG 144 HD2 ARG 144 -8.318 17.577 12.914 1073 HD3 ARG 144 HD3 ARG 144 -8.214 16.911 11.291 1074 HE ARG 144 HE ARG 144 -10.432 15.785 12.699 1075 HH11 ARG 144 HH11 ARG 144 -9.431 18.732 11.064 1076 HH12 ARG 144 HH12 ARG 144 -11.050 19.203 10.667 1077 HH21 ARG 144 HH21 ARG 144 -12.527 16.442 12.163 1078 HH22 ARG 144 HH22 ARG 144 -12.790 17.912 11.288 1079 H THR 145 H THR 145 -5.231 15.924 11.183 1080 HA THR 145 HA THR 145 -3.266 13.755 11.443 1081 HB THR 145 HB THR 145 -1.561 15.538 11.188 1082 HG1 THR 145 HG1 THR 145 -3.823 17.194 10.773 1083 HG21 THR 145 HG21 THR 145 -2.237 16.172 8.817 1084 HG22 THR 145 HG22 THR 145 -3.755 15.327 9.121 1085 HG23 THR 145 HG23 THR 145 -2.229 14.445 9.176 1086 H GLU 146 H GLU 146 -5.213 14.864 13.577 1087 HA GLU 146 HA GLU 146 -3.791 16.072 15.665 1088 HB2 GLU 146 HB2 GLU 146 -6.320 15.565 15.335 1089 HB3 GLU 146 HB3 GLU 146 -5.947 14.031 16.106 1090 HG2 GLU 146 HG2 GLU 146 -4.945 16.491 17.498 1091 HG3 GLU 146 HG3 GLU 146 -6.683 16.254 17.487 1092 H LEU 147 H LEU 147 -2.304 15.313 17.062 1093 HA LEU 147 HA LEU 147 -0.823 13.926 18.120 1094 HB2 LEU 147 HB2 LEU 147 -3.027 11.895 17.666 1095 HB3 LEU 147 HB3 LEU 147 -1.563 11.558 18.585 1096 HG LEU 147 HG LEU 147 -3.372 13.889 19.206 1097 HD11 LEU 147 HD11 LEU 147 -4.355 12.493 20.984 1098 HD12 LEU 147 HD12 LEU 147 -3.354 11.129 20.485 1099 HD13 LEU 147 HD13 LEU 147 -4.616 11.736 19.415 1100 HD21 LEU 147 HD21 LEU 147 -1.186 14.146 20.190 1101 HD22 LEU 147 HD22 LEU 147 -1.137 12.453 20.679 1102 HD23 LEU 147 HD23 LEU 147 -2.235 13.572 21.485 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 20.050 13.213 20.748 2 H2 GLY 1 HT2 GLY 1 19.920 11.712 19.962 3 H3 GLY 1 HT3 GLY 1 18.979 12.040 21.339 4 HA2 GLY 1 HA2 GLY 1 18.075 13.999 19.930 5 HA3 GLY 1 HA3 GLY 1 18.654 13.016 18.585 6 H SER 2 H SER 2 17.749 10.951 18.220 7 HA SER 2 HA SER 2 15.511 10.061 19.856 8 HB2 SER 2 HB2 SER 2 13.895 10.077 18.043 9 HB3 SER 2 HB3 SER 2 14.512 11.706 18.292 10 HG SER 2 HG SER 2 15.410 9.826 16.353 11 H LYS 3 H LYS 3 14.674 7.952 19.156 12 HA LYS 3 HA LYS 3 16.848 6.247 18.220 13 HB2 LYS 3 HB2 LYS 3 14.214 5.779 19.595 14 HB3 LYS 3 HB3 LYS 3 15.010 4.442 18.762 15 HG2 LYS 3 HG2 LYS 3 15.775 4.337 21.026 16 HG3 LYS 3 HG3 LYS 3 17.109 5.043 20.109 17 HD2 LYS 3 HD2 LYS 3 16.469 7.285 20.827 18 HD3 LYS 3 HD3 LYS 3 15.042 6.648 21.647 19 HE2 LYS 3 HE2 LYS 3 16.504 5.320 23.138 20 HE3 LYS 3 HE3 LYS 3 17.921 5.997 22.335 21 HZ1 LYS 3 HZ1 LYS 3 17.211 7.128 24.444 22 HZ2 LYS 3 HZ2 LYS 3 15.844 7.681 23.602 23 HZ3 LYS 3 HZ3 LYS 3 17.399 8.144 23.099 24 H GLY 4 H GLY 4 16.767 4.878 16.467 25 HA2 GLY 4 HA2 GLY 4 15.296 5.782 14.187 26 HA3 GLY 4 HA3 GLY 4 16.342 4.364 14.259 27 H THR 5 H THR 5 13.866 4.434 12.884 28 HA THR 5 HA THR 5 12.497 2.242 14.235 29 HB THR 5 HB THR 5 11.287 4.210 15.049 30 HG1 THR 5 HG1 THR 5 9.887 2.769 13.053 31 HG21 THR 5 HG21 THR 5 11.098 4.858 12.107 32 HG22 THR 5 HG22 THR 5 11.654 5.891 13.422 33 HG23 THR 5 HG23 THR 5 9.940 5.505 13.269 34 H VAL 6 H VAL 6 11.161 0.976 12.867 35 HA VAL 6 HA VAL 6 11.437 1.489 9.974 36 HB VAL 6 HB VAL 6 11.836 -0.923 9.594 37 HG11 VAL 6 HG11 VAL 6 14.158 -0.916 10.226 38 HG12 VAL 6 HG12 VAL 6 13.853 0.226 11.537 39 HG13 VAL 6 HG13 VAL 6 13.705 0.748 9.858 40 HG21 VAL 6 HG21 VAL 6 12.411 -2.390 11.481 41 HG22 VAL 6 HG22 VAL 6 10.788 -1.743 11.718 42 HG23 VAL 6 HG23 VAL 6 12.147 -1.069 12.620 43 H SER 7 H SER 7 9.866 0.333 8.643 44 HA SER 7 HA SER 7 7.327 -0.154 10.089 45 HB2 SER 7 HB2 SER 7 7.168 1.880 8.774 46 HB3 SER 7 HB3 SER 7 7.780 1.045 7.350 47 HG SER 7 HG SER 7 5.492 1.179 7.354 48 H GLU 8 H GLU 8 6.494 -2.111 9.911 49 HA GLU 8 HA GLU 8 7.493 -3.896 7.790 50 HB2 GLU 8 HB2 GLU 8 6.272 -4.584 10.477 51 HB3 GLU 8 HB3 GLU 8 6.810 -5.759 9.276 52 HG2 GLU 8 HG2 GLU 8 8.589 -3.676 10.595 53 HG3 GLU 8 HG3 GLU 8 8.525 -5.380 11.041 54 HA PRO 9 HA PRO 9 3.177 -3.469 6.248 55 HB2 PRO 9 HB2 PRO 9 3.355 -5.064 4.069 56 HB3 PRO 9 HB3 PRO 9 4.049 -3.428 4.111 57 HG2 PRO 9 HG2 PRO 9 5.405 -6.058 4.512 58 HG3 PRO 9 HG3 PRO 9 5.918 -4.665 3.537 59 HD2 PRO 9 HD2 PRO 9 6.950 -5.120 5.994 60 HD3 PRO 9 HD3 PRO 9 6.682 -3.469 5.384 61 H THR 10 H THR 10 1.309 -4.773 6.107 62 HA THR 10 HA THR 10 1.559 -7.409 7.422 63 HB THR 10 HB THR 10 -0.791 -5.487 7.351 64 HG1 THR 10 HG1 THR 10 0.351 -4.611 8.874 65 HG21 THR 10 HG21 THR 10 -1.591 -7.775 7.551 66 HG22 THR 10 HG22 THR 10 -1.694 -7.013 9.139 67 HG23 THR 10 HG23 THR 10 -0.379 -8.134 8.781 68 H THR 11 H THR 11 0.936 -9.182 6.342 69 HA THR 11 HA THR 11 -0.371 -8.837 3.724 70 HB THR 11 HB THR 11 1.285 -11.161 4.765 71 HG1 THR 11 HG1 THR 11 1.821 -8.993 3.024 72 HG21 THR 11 HG21 THR 11 0.045 -10.590 2.054 73 HG22 THR 11 HG22 THR 11 -0.286 -11.965 3.108 74 HG23 THR 11 HG23 THR 11 1.286 -11.815 2.325 75 H VAL 12 H VAL 12 -2.447 -9.374 3.559 76 HA VAL 12 HA VAL 12 -3.502 -11.569 5.229 77 HB VAL 12 HB VAL 12 -4.897 -8.911 4.743 78 HG11 VAL 12 HG11 VAL 12 -6.688 -9.804 6.173 79 HG12 VAL 12 HG12 VAL 12 -5.822 -11.329 6.342 80 HG13 VAL 12 HG13 VAL 12 -6.468 -10.853 4.772 81 HG21 VAL 12 HG21 VAL 12 -3.594 -10.187 7.162 82 HG22 VAL 12 HG22 VAL 12 -4.766 -8.879 7.314 83 HG23 VAL 12 HG23 VAL 12 -3.254 -8.610 6.453 84 H ALA 13 H ALA 13 -4.679 -13.048 4.166 85 HA ALA 13 HA ALA 13 -5.240 -12.591 1.309 86 HB1 ALA 13 HB1 ALA 13 -5.034 -14.881 0.972 87 HB2 ALA 13 HB2 ALA 13 -5.435 -15.267 2.646 88 HB3 ALA 13 HB3 ALA 13 -3.854 -14.593 2.249 89 H PHE 14 H PHE 14 -7.281 -13.139 0.387 90 HA PHE 14 HA PHE 14 -9.455 -13.798 2.220 91 HB2 PHE 14 HB2 PHE 14 -10.861 -11.928 1.565 92 HB3 PHE 14 HB3 PHE 14 -9.349 -11.308 2.214 93 HD1 PHE 14 HD1 PHE 14 -11.476 -11.601 -0.741 94 HD2 PHE 14 HD2 PHE 14 -7.603 -10.385 0.661 95 HE1 PHE 14 HE1 PHE 14 -11.110 -10.345 -2.844 96 HE2 PHE 14 HE2 PHE 14 -7.239 -9.129 -1.451 97 HZ PHE 14 HZ PHE 14 -8.987 -9.106 -3.199 98 H ASP 15 H ASP 15 -11.467 -14.376 1.119 99 HA ASP 15 HA ASP 15 -10.894 -15.679 -1.461 100 HB2 ASP 15 HB2 ASP 15 -13.093 -16.230 0.542 101 HB3 ASP 15 HB3 ASP 15 -12.769 -17.160 -0.919 102 H VAL 16 H VAL 16 -11.849 -15.034 -3.274 103 HA VAL 16 HA VAL 16 -14.101 -13.149 -3.096 104 HB VAL 16 HB VAL 16 -13.726 -12.724 -5.503 105 HG11 VAL 16 HG11 VAL 16 -12.595 -11.350 -3.792 106 HG12 VAL 16 HG12 VAL 16 -11.612 -11.502 -5.248 107 HG13 VAL 16 HG13 VAL 16 -11.222 -12.457 -3.817 108 HG21 VAL 16 HG21 VAL 16 -11.520 -14.767 -5.125 109 HG22 VAL 16 HG22 VAL 16 -11.473 -13.585 -6.425 110 HG23 VAL 16 HG23 VAL 16 -12.789 -14.747 -6.346 111 H ARG 17 H ARG 17 -15.963 -14.139 -2.936 112 HA ARG 17 HA ARG 17 -16.354 -16.699 -4.286 113 HB2 ARG 17 HB2 ARG 17 -17.883 -15.346 -2.059 114 HB3 ARG 17 HB3 ARG 17 -18.334 -16.900 -2.768 115 HG2 ARG 17 HG2 ARG 17 -16.264 -17.921 -2.086 116 HG3 ARG 17 HG3 ARG 17 -15.567 -16.363 -1.641 117 HD2 ARG 17 HD2 ARG 17 -16.279 -17.653 0.337 118 HD3 ARG 17 HD3 ARG 17 -17.164 -16.140 0.191 119 HE ARG 17 HE ARG 17 -19.123 -17.381 -0.214 120 HH11 ARG 17 HH11 ARG 17 -16.334 -19.513 -0.338 121 HH12 ARG 17 HH12 ARG 17 -17.287 -20.959 -0.359 122 HH21 ARG 17 HH21 ARG 17 -20.329 -19.293 -0.237 123 HH22 ARG 17 HH22 ARG 17 -19.537 -20.832 -0.301 124 HA PRO 18 HA PRO 18 -18.863 -14.331 -7.289 125 HB2 PRO 18 HB2 PRO 18 -19.255 -16.197 -9.126 126 HB3 PRO 18 HB3 PRO 18 -17.639 -15.501 -8.870 127 HG2 PRO 18 HG2 PRO 18 -18.748 -18.088 -7.865 128 HG3 PRO 18 HG3 PRO 18 -17.180 -17.768 -8.634 129 HD2 PRO 18 HD2 PRO 18 -17.462 -17.955 -5.927 130 HD3 PRO 18 HD3 PRO 18 -16.239 -16.912 -6.693 131 H GLY 19 H GLY 19 -20.984 -14.755 -8.508 132 HA2 GLY 19 HA2 GLY 19 -22.988 -16.386 -8.351 133 HA3 GLY 19 HA3 GLY 19 -22.934 -15.953 -6.645 134 H GLY 20 H GLY 20 -22.037 -13.342 -8.671 135 HA2 GLY 20 HA2 GLY 20 -23.089 -11.418 -9.371 136 HA3 GLY 20 HA3 GLY 20 -24.608 -12.310 -9.356 137 H VAL 21 H VAL 21 -22.616 -12.137 -6.497 138 HA VAL 21 HA VAL 21 -24.566 -10.305 -5.228 139 HB VAL 21 HB VAL 21 -22.986 -12.559 -3.940 140 HG11 VAL 21 HG11 VAL 21 -24.566 -12.071 -1.995 141 HG12 VAL 21 HG12 VAL 21 -24.981 -10.572 -2.825 142 HG13 VAL 21 HG13 VAL 21 -23.325 -10.854 -2.293 143 HG21 VAL 21 HG21 VAL 21 -25.150 -13.695 -3.712 144 HG22 VAL 21 HG22 VAL 21 -24.860 -13.328 -5.412 145 HG23 VAL 21 HG23 VAL 21 -25.971 -12.331 -4.472 146 H VAL 22 H VAL 22 -23.794 -8.490 -4.401 147 HA VAL 22 HA VAL 22 -21.017 -7.818 -4.730 148 HB VAL 22 HB VAL 22 -23.253 -6.271 -3.363 149 HG11 VAL 22 HG11 VAL 22 -21.101 -5.410 -2.647 150 HG12 VAL 22 HG12 VAL 22 -21.759 -4.294 -3.843 151 HG13 VAL 22 HG13 VAL 22 -20.492 -5.430 -4.301 152 HG21 VAL 22 HG21 VAL 22 -23.413 -5.044 -5.490 153 HG22 VAL 22 HG22 VAL 22 -23.677 -6.764 -5.769 154 HG23 VAL 22 HG23 VAL 22 -22.125 -6.034 -6.177 155 H HIS 23 H HIS 23 -19.471 -8.326 -3.398 156 HA HIS 23 HA HIS 23 -20.084 -8.767 -0.534 157 HB2 HIS 23 HB2 HIS 23 -17.885 -9.994 -2.212 158 HB3 HIS 23 HB3 HIS 23 -18.126 -10.253 -0.487 159 HD2 HIS 23 HD2 HIS 23 -19.240 -11.827 -3.759 160 HE1 HIS 23 HE1 HIS 23 -22.073 -13.078 -0.895 161 HE2 HIS 23 HE2 HIS 23 -21.214 -13.456 -3.253 162 H SER 24 H SER 24 -18.931 -7.753 0.973 163 HA SER 24 HA SER 24 -16.820 -5.880 0.071 164 HB2 SER 24 HB2 SER 24 -18.815 -5.572 2.320 165 HB3 SER 24 HB3 SER 24 -17.479 -4.468 2.003 166 HG SER 24 HG SER 24 -19.769 -5.036 0.446 167 H PHE 25 H PHE 25 -14.887 -6.181 0.856 168 HA PHE 25 HA PHE 25 -14.538 -7.586 3.433 169 HB2 PHE 25 HB2 PHE 25 -12.962 -7.985 0.884 170 HB3 PHE 25 HB3 PHE 25 -12.421 -8.567 2.462 171 HD1 PHE 25 HD1 PHE 25 -14.883 -8.978 -0.235 172 HD2 PHE 25 HD2 PHE 25 -13.631 -10.346 3.633 173 HE1 PHE 25 HE1 PHE 25 -16.326 -10.982 -0.476 174 HE2 PHE 25 HE2 PHE 25 -15.074 -12.347 3.396 175 HZ PHE 25 HZ PHE 25 -16.421 -12.665 1.340 176 H SER 26 H SER 26 -12.865 -6.860 4.744 177 HA SER 26 HA SER 26 -11.269 -4.583 3.831 178 HB2 SER 26 HB2 SER 26 -12.044 -3.107 5.572 179 HB3 SER 26 HB3 SER 26 -13.426 -3.674 4.636 180 HG SER 26 HG SER 26 -13.344 -3.773 7.135 181 H HIS 27 H HIS 27 -9.758 -3.826 5.526 182 HA HIS 27 HA HIS 27 -9.088 -5.795 7.576 183 HB2 HIS 27 HB2 HIS 27 -7.835 -6.492 5.531 184 HB3 HIS 27 HB3 HIS 27 -7.049 -4.910 5.512 185 HD2 HIS 27 HD2 HIS 27 -7.500 -7.460 8.564 186 HE1 HIS 27 HE1 HIS 27 -3.463 -6.237 8.343 187 HE2 HIS 27 HE2 HIS 27 -5.138 -7.621 9.663 188 H ASN 28 H ASN 28 -7.938 -4.999 9.271 189 HA ASN 28 HA ASN 28 -6.989 -2.247 9.280 190 HB2 ASN 28 HB2 ASN 28 -8.328 -1.639 11.252 191 HB3 ASN 28 HB3 ASN 28 -9.355 -1.998 9.865 192 HD21 ASN 28 HD21 ASN 28 -11.098 -2.439 11.508 193 HD22 ASN 28 HD22 ASN 28 -11.137 -3.946 12.290 194 H VAL 29 H VAL 29 -5.962 -1.726 11.420 195 HA VAL 29 HA VAL 29 -4.814 -4.148 12.680 196 HB VAL 29 HB VAL 29 -2.655 -2.943 12.870 197 HG11 VAL 29 HG11 VAL 29 -3.822 -3.309 10.100 198 HG12 VAL 29 HG12 VAL 29 -2.882 -4.473 11.032 199 HG13 VAL 29 HG13 VAL 29 -2.108 -3.023 10.395 200 HG21 VAL 29 HG21 VAL 29 -3.704 -0.921 10.865 201 HG22 VAL 29 HG22 VAL 29 -2.271 -0.823 11.886 202 HG23 VAL 29 HG23 VAL 29 -3.871 -0.629 12.595 203 H GLY 30 H GLY 30 -3.936 -3.791 14.863 204 HA2 GLY 30 HA2 GLY 30 -5.826 -2.756 16.601 205 HA3 GLY 30 HA3 GLY 30 -4.153 -3.077 17.048 206 HA PRO 31 HA PRO 31 -3.144 1.272 17.546 207 HB2 PRO 31 HB2 PRO 31 -1.258 1.162 15.227 208 HB3 PRO 31 HB3 PRO 31 -0.971 1.717 16.892 209 HG2 PRO 31 HG2 PRO 31 -0.017 -0.595 16.124 210 HG3 PRO 31 HG3 PRO 31 -0.787 -0.446 17.718 211 HD2 PRO 31 HD2 PRO 31 -1.917 -1.650 15.200 212 HD3 PRO 31 HD3 PRO 31 -2.048 -2.221 16.883 213 H GLY 32 H GLY 32 -3.307 0.353 14.131 214 HA2 GLY 32 HA2 GLY 32 -4.449 2.931 13.338 215 HA3 GLY 32 HA3 GLY 32 -3.909 1.650 12.255 216 H ASP 33 H ASP 33 -6.050 1.119 15.019 217 HA ASP 33 HA ASP 33 -7.889 -0.419 13.574 218 HB2 ASP 33 HB2 ASP 33 -9.362 -0.209 15.537 219 HB3 ASP 33 HB3 ASP 33 -7.689 -0.556 15.969 220 H LYS 34 H LYS 34 -7.828 3.018 14.216 221 HA LYS 34 HA LYS 34 -10.426 3.663 13.276 222 HB2 LYS 34 HB2 LYS 34 -8.953 5.191 14.623 223 HB3 LYS 34 HB3 LYS 34 -7.949 5.405 13.184 224 HG2 LYS 34 HG2 LYS 34 -9.920 6.257 11.941 225 HG3 LYS 34 HG3 LYS 34 -10.909 6.070 13.391 226 HD2 LYS 34 HD2 LYS 34 -8.408 7.779 13.335 227 HD3 LYS 34 HD3 LYS 34 -10.010 8.422 12.964 228 HE2 LYS 34 HE2 LYS 34 -10.805 7.625 15.196 229 HE3 LYS 34 HE3 LYS 34 -9.163 7.100 15.564 230 HZ1 LYS 34 HZ1 LYS 34 -8.384 9.328 15.394 231 HZ2 LYS 34 HZ2 LYS 34 -9.735 9.336 16.427 232 HZ3 LYS 34 HZ3 LYS 34 -9.882 9.881 14.825 233 H TYR 35 H TYR 35 -7.313 3.139 11.731 234 HA TYR 35 HA TYR 35 -8.297 4.013 9.105 235 HB2 TYR 35 HB2 TYR 35 -5.586 2.977 9.974 236 HB3 TYR 35 HB3 TYR 35 -5.974 3.573 8.361 237 HD1 TYR 35 HD1 TYR 35 -5.194 4.485 11.800 238 HD2 TYR 35 HD2 TYR 35 -6.653 5.967 8.043 239 HE1 TYR 35 HE1 TYR 35 -4.782 6.808 12.559 240 HE2 TYR 35 HE2 TYR 35 -6.240 8.289 8.802 241 HH TYR 35 HH TYR 35 -5.445 9.034 12.092 242 H THR 36 H THR 36 -8.866 2.688 7.460 243 HA THR 36 HA THR 36 -8.066 -0.093 7.408 244 HB THR 36 HB THR 36 -9.960 -0.209 8.957 245 HG1 THR 36 HG1 THR 36 -11.255 -1.642 7.605 246 HG21 THR 36 HG21 THR 36 -12.248 0.339 8.123 247 HG22 THR 36 HG22 THR 36 -11.519 1.054 6.685 248 HG23 THR 36 HG23 THR 36 -11.216 1.762 8.271 249 H CYS 37 H CYS 37 -8.643 -1.211 5.462 250 HA CYS 37 HA CYS 37 -9.429 0.585 3.237 251 HB2 CYS 37 HB2 CYS 37 -7.440 -1.702 3.215 252 HB3 CYS 37 HB3 CYS 37 -8.062 -0.932 1.756 253 H MET 38 H MET 38 -11.031 -0.051 1.921 254 HA MET 38 HA MET 38 -12.318 -2.648 2.480 255 HB2 MET 38 HB2 MET 38 -13.565 -0.022 1.662 256 HB3 MET 38 HB3 MET 38 -14.439 -1.546 1.818 257 HG2 MET 38 HG2 MET 38 -13.787 -1.695 4.166 258 HG3 MET 38 HG3 MET 38 -12.891 -0.186 4.035 259 HE1 MET 38 HE1 MET 38 -14.205 0.552 6.124 260 HE2 MET 38 HE2 MET 38 -15.247 -0.866 6.163 261 HE3 MET 38 HE3 MET 38 -15.963 0.740 6.229 262 H PHE 39 H PHE 39 -13.170 -3.818 0.827 263 HA PHE 39 HA PHE 39 -12.659 -2.926 -1.925 264 HB2 PHE 39 HB2 PHE 39 -10.775 -4.395 -1.165 265 HB3 PHE 39 HB3 PHE 39 -11.940 -5.686 -0.884 266 HD1 PHE 39 HD1 PHE 39 -10.551 -3.426 -3.507 267 HD2 PHE 39 HD2 PHE 39 -12.718 -7.041 -2.686 268 HE1 PHE 39 HE1 PHE 39 -10.418 -4.050 -5.904 269 HE2 PHE 39 HE2 PHE 39 -12.586 -7.665 -5.083 270 HZ PHE 39 HZ PHE 39 -11.436 -6.170 -6.692 271 H THR 40 H THR 40 -14.622 -2.870 -2.814 272 HA THR 40 HA THR 40 -16.589 -5.003 -2.181 273 HB THR 40 HB THR 40 -17.099 -2.176 -3.190 274 HG1 THR 40 HG1 THR 40 -17.388 -3.427 -0.662 275 HG21 THR 40 HG21 THR 40 -18.812 -3.785 -3.951 276 HG22 THR 40 HG22 THR 40 -19.473 -2.700 -2.727 277 HG23 THR 40 HG23 THR 40 -19.022 -4.348 -2.292 278 H TYR 41 H TYR 41 -17.230 -6.333 -3.799 279 HA TYR 41 HA TYR 41 -16.866 -5.536 -6.605 280 HB2 TYR 41 HB2 TYR 41 -15.517 -7.538 -7.122 281 HB3 TYR 41 HB3 TYR 41 -14.694 -6.489 -5.969 282 HD1 TYR 41 HD1 TYR 41 -16.374 -9.729 -6.446 283 HD2 TYR 41 HD2 TYR 41 -14.551 -7.103 -3.585 284 HE1 TYR 41 HE1 TYR 41 -16.295 -11.579 -4.794 285 HE2 TYR 41 HE2 TYR 41 -14.461 -8.947 -1.943 286 HH TYR 41 HH TYR 41 -16.230 -11.726 -2.215 287 H ALA 42 H ALA 42 -17.742 -7.049 -8.146 288 HA ALA 42 HA ALA 42 -19.730 -8.958 -7.093 289 HB1 ALA 42 HB1 ALA 42 -21.221 -7.325 -7.798 290 HB2 ALA 42 HB2 ALA 42 -21.016 -8.235 -9.295 291 HB3 ALA 42 HB3 ALA 42 -20.134 -6.728 -9.052 292 H SER 43 H SER 43 -19.455 -10.963 -7.961 293 HA SER 43 HA SER 43 -17.994 -11.179 -10.524 294 HB2 SER 43 HB2 SER 43 -17.464 -12.822 -8.050 295 HB3 SER 43 HB3 SER 43 -16.692 -13.019 -9.622 296 HG SER 43 HG SER 43 -15.551 -11.695 -8.014 297 H GLN 44 H GLN 44 -18.304 -13.049 -11.711 298 HA GLN 44 HA GLN 44 -20.614 -14.732 -10.958 299 HB2 GLN 44 HB2 GLN 44 -21.147 -13.105 -12.795 300 HB3 GLN 44 HB3 GLN 44 -19.891 -13.869 -13.772 301 HG2 GLN 44 HG2 GLN 44 -22.022 -14.859 -14.379 302 HG3 GLN 44 HG3 GLN 44 -21.087 -16.058 -13.481 303 HE21 GLN 44 HE21 GLN 44 -23.476 -13.433 -12.775 304 HE22 GLN 44 HE22 GLN 44 -24.302 -14.318 -11.585 305 H GLY 45 H GLY 45 -20.171 -16.856 -10.923 306 HA2 GLY 45 HA2 GLY 45 -18.679 -18.376 -12.669 307 HA3 GLY 45 HA3 GLY 45 -17.538 -17.841 -11.433 308 H GLY 46 H GLY 46 -17.666 -20.404 -11.385 309 HA2 GLY 46 HA2 GLY 46 -19.747 -21.216 -9.442 310 HA3 GLY 46 HA3 GLY 46 -18.937 -22.307 -10.557 311 H THR 47 H THR 47 -16.589 -20.227 -9.364 312 HA THR 47 HA THR 47 -16.091 -21.666 -6.870 313 HB THR 47 HB THR 47 -15.045 -23.115 -8.546 314 HG1 THR 47 HG1 THR 47 -13.025 -21.632 -7.242 315 HG21 THR 47 HG21 THR 47 -14.614 -21.635 -10.374 316 HG22 THR 47 HG22 THR 47 -13.036 -22.173 -9.803 317 HG23 THR 47 HG23 THR 47 -13.630 -20.569 -9.370 318 H ASN 48 H ASN 48 -14.601 -20.660 -5.479 319 HA ASN 48 HA ASN 48 -14.311 -17.816 -5.999 320 HB2 ASN 48 HB2 ASN 48 -13.712 -17.633 -3.628 321 HB3 ASN 48 HB3 ASN 48 -15.217 -18.523 -3.832 322 HD21 ASN 48 HD21 ASN 48 -14.733 -19.482 -1.648 323 HD22 ASN 48 HD22 ASN 48 -13.641 -20.777 -1.532 324 H GLU 49 H GLU 49 -12.173 -16.868 -4.898 325 HA GLU 49 HA GLU 49 -9.823 -18.443 -5.644 326 HB2 GLU 49 HB2 GLU 49 -10.554 -17.056 -7.622 327 HB3 GLU 49 HB3 GLU 49 -10.198 -15.626 -6.659 328 HG2 GLU 49 HG2 GLU 49 -8.281 -16.167 -8.058 329 HG3 GLU 49 HG3 GLU 49 -7.871 -16.416 -6.362 330 H GLN 50 H GLN 50 -7.907 -17.776 -4.699 331 HA GLN 50 HA GLN 50 -8.285 -16.172 -2.270 332 HB2 GLN 50 HB2 GLN 50 -6.154 -18.157 -3.063 333 HB3 GLN 50 HB3 GLN 50 -6.114 -17.205 -1.577 334 HG2 GLN 50 HG2 GLN 50 -8.215 -18.169 -0.836 335 HG3 GLN 50 HG3 GLN 50 -8.406 -19.017 -2.369 336 HE21 GLN 50 HE21 GLN 50 -8.055 -20.079 0.494 337 HE22 GLN 50 HE22 GLN 50 -6.760 -21.170 0.373 338 H TRP 51 H TRP 51 -7.657 -14.170 -2.282 339 HA TRP 51 HA TRP 51 -5.459 -13.297 -4.056 340 HB2 TRP 51 HB2 TRP 51 -7.889 -11.829 -3.036 341 HB3 TRP 51 HB3 TRP 51 -6.523 -11.012 -3.789 342 HD1 TRP 51 HD1 TRP 51 -8.845 -14.002 -4.645 343 HE1 TRP 51 HE1 TRP 51 -9.348 -13.907 -7.179 344 HE3 TRP 51 HE3 TRP 51 -6.056 -9.928 -5.945 345 HZ2 TRP 51 HZ2 TRP 51 -8.655 -12.303 -9.453 346 HZ3 TRP 51 HZ3 TRP 51 -5.993 -9.134 -8.294 347 HH2 TRP 51 HH2 TRP 51 -7.285 -10.311 -10.050 348 H GLN 52 H GLN 52 -3.880 -11.951 -3.246 349 HA GLN 52 HA GLN 52 -3.610 -11.991 -0.314 350 HB2 GLN 52 HB2 GLN 52 -1.513 -11.445 -2.440 351 HB3 GLN 52 HB3 GLN 52 -1.226 -11.548 -0.708 352 HG2 GLN 52 HG2 GLN 52 -2.296 -13.809 -2.431 353 HG3 GLN 52 HG3 GLN 52 -0.640 -13.673 -1.849 354 HE21 GLN 52 HE21 GLN 52 -3.381 -15.348 -1.200 355 HE22 GLN 52 HE22 GLN 52 -3.229 -15.534 0.479 356 H MET 53 H MET 53 -3.342 -10.177 0.870 357 HA MET 53 HA MET 53 -3.515 -7.575 -0.534 358 HB2 MET 53 HB2 MET 53 -4.704 -8.268 2.172 359 HB3 MET 53 HB3 MET 53 -4.765 -6.700 1.369 360 HG2 MET 53 HG2 MET 53 -6.030 -7.730 -0.509 361 HG3 MET 53 HG3 MET 53 -5.997 -9.269 0.336 362 HE1 MET 53 HE1 MET 53 -8.149 -5.709 0.300 363 HE2 MET 53 HE2 MET 53 -6.449 -5.640 0.753 364 HE3 MET 53 HE3 MET 53 -7.687 -5.400 1.980 365 H SER 54 H SER 54 -2.171 -5.986 0.170 366 HA SER 54 HA SER 54 -0.470 -6.514 2.503 367 HB2 SER 54 HB2 SER 54 0.832 -7.305 0.611 368 HB3 SER 54 HB3 SER 54 0.556 -5.791 -0.244 369 HG SER 54 HG SER 54 2.555 -6.265 1.240 370 H LEU 55 H LEU 55 -0.214 -4.802 3.737 371 HA LEU 55 HA LEU 55 -0.677 -2.119 2.589 372 HB2 LEU 55 HB2 LEU 55 -1.889 -1.463 4.632 373 HB3 LEU 55 HB3 LEU 55 -2.708 -2.752 3.756 374 HG LEU 55 HG LEU 55 -1.256 -4.325 5.404 375 HD11 LEU 55 HD11 LEU 55 -0.012 -2.709 6.615 376 HD12 LEU 55 HD12 LEU 55 -1.313 -3.146 7.714 377 HD13 LEU 55 HD13 LEU 55 -1.404 -1.645 6.790 378 HD21 LEU 55 HD21 LEU 55 -3.677 -4.425 5.342 379 HD22 LEU 55 HD22 LEU 55 -3.813 -2.848 6.123 380 HD23 LEU 55 HD23 LEU 55 -3.203 -4.231 7.032 381 H GLY 56 H GLY 56 0.353 -0.396 3.646 382 HA2 GLY 56 HA2 GLY 56 2.328 -1.006 5.707 383 HA3 GLY 56 HA3 GLY 56 2.965 -0.480 4.149 384 H THR 57 H THR 57 3.273 0.910 6.627 385 HA THR 57 HA THR 57 1.839 3.416 5.991 386 HB THR 57 HB THR 57 1.583 3.876 8.385 387 HG1 THR 57 HG1 THR 57 2.748 1.305 8.641 388 HG21 THR 57 HG21 THR 57 -0.145 2.538 7.066 389 HG22 THR 57 HG22 THR 57 -0.213 2.366 8.823 390 HG23 THR 57 HG23 THR 57 0.518 1.100 7.840 391 H SER 58 H SER 58 2.876 5.341 6.709 392 HA SER 58 HA SER 58 5.708 5.367 6.312 393 HB2 SER 58 HB2 SER 58 4.363 7.266 5.606 394 HB3 SER 58 HB3 SER 58 3.798 7.515 7.258 395 HG SER 58 HG SER 58 6.448 7.739 6.253 396 H GLU 59 H GLU 59 7.327 6.049 7.841 397 HA GLU 59 HA GLU 59 7.235 4.755 10.326 398 HB2 GLU 59 HB2 GLU 59 9.288 6.005 10.873 399 HB3 GLU 59 HB3 GLU 59 9.351 5.382 9.225 400 HG2 GLU 59 HG2 GLU 59 8.664 7.593 8.351 401 HG3 GLU 59 HG3 GLU 59 8.577 8.220 9.999 402 H ASP 60 H ASP 60 6.284 7.998 9.423 403 HA ASP 60 HA ASP 60 5.666 8.714 12.209 404 HB2 ASP 60 HB2 ASP 60 5.568 10.380 9.684 405 HB3 ASP 60 HB3 ASP 60 5.244 10.969 11.316 406 H HIS 61 H HIS 61 4.150 7.023 9.833 407 HA HIS 61 HA HIS 61 2.004 6.438 9.353 408 HB2 HIS 61 HB2 HIS 61 1.481 7.818 11.999 409 HB3 HIS 61 HB3 HIS 61 0.279 6.872 11.114 410 HD2 HIS 61 HD2 HIS 61 3.926 6.142 12.588 411 HE1 HIS 61 HE1 HIS 61 1.655 2.582 12.639 412 HE2 HIS 61 HE2 HIS 61 3.883 3.623 13.270 413 H GLN 62 H GLN 62 3.120 8.967 8.391 414 HA GLN 62 HA GLN 62 0.961 10.874 8.261 415 HB2 GLN 62 HB2 GLN 62 2.438 12.096 6.691 416 HB3 GLN 62 HB3 GLN 62 3.254 11.694 8.204 417 HG2 GLN 62 HG2 GLN 62 4.374 9.814 7.167 418 HG3 GLN 62 HG3 GLN 62 3.463 10.040 5.679 419 HE21 GLN 62 HE21 GLN 62 3.852 12.245 4.560 420 HE22 GLN 62 HE22 GLN 62 5.402 12.922 4.687 421 H HIS 63 H HIS 63 2.059 8.156 6.349 422 HA HIS 63 HA HIS 63 -0.186 8.621 4.498 423 HB2 HIS 63 HB2 HIS 63 2.584 7.708 3.701 424 HB3 HIS 63 HB3 HIS 63 1.174 7.682 2.643 425 HD2 HIS 63 HD2 HIS 63 3.967 10.081 3.495 426 HE1 HIS 63 HE1 HIS 63 0.821 12.484 2.045 427 HE2 HIS 63 HE2 HIS 63 3.291 12.449 2.631 428 H PHE 64 H PHE 64 -1.336 6.885 3.872 429 HA PHE 64 HA PHE 64 -0.566 4.227 4.915 430 HB2 PHE 64 HB2 PHE 64 -3.295 5.533 4.893 431 HB3 PHE 64 HB3 PHE 64 -3.040 3.813 5.197 432 HD1 PHE 64 HD1 PHE 64 -2.197 7.233 6.421 433 HD2 PHE 64 HD2 PHE 64 -2.319 3.038 7.339 434 HE1 PHE 64 HE1 PHE 64 -1.703 7.734 8.799 435 HE2 PHE 64 HE2 PHE 64 -1.822 3.545 9.716 436 HZ PHE 64 HZ PHE 64 -1.513 5.892 10.444 437 H THR 65 H THR 65 -0.588 2.610 3.425 438 HA THR 65 HA THR 65 -1.972 3.105 0.848 439 HB THR 65 HB THR 65 -0.105 2.041 -0.333 440 HG1 THR 65 HG1 THR 65 0.640 0.713 1.319 441 HG21 THR 65 HG21 THR 65 1.103 4.144 1.460 442 HG22 THR 65 HG22 THR 65 -0.117 4.552 0.257 443 HG23 THR 65 HG23 THR 65 1.418 3.847 -0.248 444 H CYS 66 H CYS 66 -2.900 1.352 -0.171 445 HA CYS 66 HA CYS 66 -2.685 -1.273 1.166 446 HB2 CYS 66 HB2 CYS 66 -5.248 0.127 0.380 447 HB3 CYS 66 HB3 CYS 66 -5.148 -1.616 0.671 448 H THR 67 H THR 67 -2.411 -2.963 -0.173 449 HA THR 67 HA THR 67 -2.825 -2.530 -3.071 450 HB THR 67 HB THR 67 -0.453 -3.937 -1.802 451 HG1 THR 67 HG1 THR 67 0.398 -2.029 -1.788 452 HG21 THR 67 HG21 THR 67 -0.594 -3.067 -4.670 453 HG22 THR 67 HG22 THR 67 -1.402 -4.566 -4.218 454 HG23 THR 67 HG23 THR 67 0.329 -4.384 -3.951 455 H ILE 68 H ILE 68 -3.923 -4.076 -4.084 456 HA ILE 68 HA ILE 68 -4.261 -6.723 -2.786 457 HB ILE 68 HB ILE 68 -6.413 -5.159 -4.280 458 HG12 ILE 68 HG12 ILE 68 -6.329 -5.876 -1.327 459 HG13 ILE 68 HG13 ILE 68 -5.748 -4.328 -1.935 460 HG21 ILE 68 HG21 ILE 68 -7.904 -6.974 -3.627 461 HG22 ILE 68 HG22 ILE 68 -6.616 -7.754 -2.708 462 HG23 ILE 68 HG23 ILE 68 -6.518 -7.673 -4.467 463 HD11 ILE 68 HD11 ILE 68 -8.032 -4.000 -1.243 464 HD12 ILE 68 HD12 ILE 68 -8.563 -5.443 -2.108 465 HD13 ILE 68 HD13 ILE 68 -8.032 -4.020 -3.007 466 H TRP 69 H TRP 69 -3.589 -8.369 -4.076 467 HA TRP 69 HA TRP 69 -4.128 -8.325 -6.917 468 HB2 TRP 69 HB2 TRP 69 -1.867 -8.448 -7.741 469 HB3 TRP 69 HB3 TRP 69 -1.980 -7.017 -6.725 470 HD1 TRP 69 HD1 TRP 69 -0.159 -10.263 -7.103 471 HE1 TRP 69 HE1 TRP 69 1.539 -10.561 -5.190 472 HE3 TRP 69 HE3 TRP 69 -1.632 -6.474 -4.044 473 HZ2 TRP 69 HZ2 TRP 69 2.182 -9.357 -2.692 474 HZ3 TRP 69 HZ3 TRP 69 -0.460 -6.069 -1.887 475 HH2 TRP 69 HH2 TRP 69 1.447 -7.521 -1.218 476 H ARG 70 H ARG 70 -3.446 -10.320 -8.022 477 HA ARG 70 HA ARG 70 -3.873 -12.659 -6.352 478 HB2 ARG 70 HB2 ARG 70 -5.011 -12.396 -8.567 479 HB3 ARG 70 HB3 ARG 70 -3.432 -12.451 -9.344 480 HG2 ARG 70 HG2 ARG 70 -4.190 -14.672 -9.494 481 HG3 ARG 70 HG3 ARG 70 -3.106 -14.712 -8.103 482 HD2 ARG 70 HD2 ARG 70 -5.157 -14.295 -6.650 483 HD3 ARG 70 HD3 ARG 70 -6.131 -14.595 -8.089 484 HE ARG 70 HE ARG 70 -4.825 -16.571 -6.465 485 HH11 ARG 70 HH11 ARG 70 -5.674 -15.887 -9.801 486 HH12 ARG 70 HH12 ARG 70 -5.806 -17.557 -10.237 487 HH21 ARG 70 HH21 ARG 70 -5.054 -18.736 -7.065 488 HH22 ARG 70 HH22 ARG 70 -5.451 -19.157 -8.696 489 HA PRO 71 HA PRO 71 0.601 -13.317 -5.982 490 HB2 PRO 71 HB2 PRO 71 0.643 -15.955 -5.269 491 HB3 PRO 71 HB3 PRO 71 0.210 -14.642 -4.147 492 HG2 PRO 71 HG2 PRO 71 -1.583 -16.471 -5.675 493 HG3 PRO 71 HG3 PRO 71 -1.679 -15.952 -3.978 494 HD2 PRO 71 HD2 PRO 71 -3.221 -14.833 -5.879 495 HD3 PRO 71 HD3 PRO 71 -2.585 -13.876 -4.521 496 H GLN 72 H GLN 72 -1.381 -15.734 -7.644 497 HA GLN 72 HA GLN 72 0.691 -16.697 -9.374 498 HB2 GLN 72 HB2 GLN 72 -2.313 -16.959 -9.411 499 HB3 GLN 72 HB3 GLN 72 -1.270 -17.702 -10.636 500 HG2 GLN 72 HG2 GLN 72 -0.031 -18.870 -8.810 501 HG3 GLN 72 HG3 GLN 72 -1.159 -18.184 -7.642 502 HE21 GLN 72 HE21 GLN 72 -0.971 -20.405 -10.444 503 HE22 GLN 72 HE22 GLN 72 -2.392 -21.251 -10.063 504 H GLY 73 H GLY 73 -1.813 -14.255 -9.567 505 HA2 GLY 73 HA2 GLY 73 -1.529 -12.235 -10.811 506 HA3 GLY 73 HA3 GLY 73 -0.506 -13.112 -11.944 507 H LYS 74 H LYS 74 -2.700 -15.348 -11.826 508 HA LYS 74 HA LYS 74 -4.769 -14.001 -13.436 509 HB2 LYS 74 HB2 LYS 74 -3.318 -16.514 -14.287 510 HB3 LYS 74 HB3 LYS 74 -4.684 -15.787 -15.129 511 HG2 LYS 74 HG2 LYS 74 -2.052 -14.340 -14.626 512 HG3 LYS 74 HG3 LYS 74 -2.415 -15.212 -16.115 513 HD2 LYS 74 HD2 LYS 74 -4.142 -12.931 -15.064 514 HD3 LYS 74 HD3 LYS 74 -2.840 -12.711 -16.222 515 HE2 LYS 74 HE2 LYS 74 -3.949 -14.320 -17.759 516 HE3 LYS 74 HE3 LYS 74 -5.287 -14.462 -16.615 517 HZ1 LYS 74 HZ1 LYS 74 -4.461 -12.121 -18.208 518 HZ2 LYS 74 HZ2 LYS 74 -5.400 -11.937 -16.803 519 HZ3 LYS 74 HZ3 LYS 74 -5.987 -12.854 -18.108 520 H SER 75 H SER 75 -6.713 -14.462 -12.763 521 HA SER 75 HA SER 75 -7.244 -17.079 -11.476 522 HB2 SER 75 HB2 SER 75 -7.486 -15.285 -9.827 523 HB3 SER 75 HB3 SER 75 -8.532 -14.393 -10.926 524 HG SER 75 HG SER 75 -10.086 -15.919 -10.673 525 H TYR 76 H TYR 76 -8.840 -18.316 -12.414 526 HA TYR 76 HA TYR 76 -10.100 -17.266 -14.818 527 HB2 TYR 76 HB2 TYR 76 -9.198 -19.619 -14.650 528 HB3 TYR 76 HB3 TYR 76 -10.516 -19.981 -13.531 529 HD1 TYR 76 HD1 TYR 76 -9.690 -18.975 -17.005 530 HD2 TYR 76 HD2 TYR 76 -12.783 -20.250 -14.311 531 HE1 TYR 76 HE1 TYR 76 -11.213 -19.343 -18.927 532 HE2 TYR 76 HE2 TYR 76 -14.306 -20.619 -16.233 533 HH TYR 76 HH TYR 76 -13.179 -20.479 -19.528 534 H LEU 77 H LEU 77 -11.362 -15.648 -13.918 535 HA LEU 77 HA LEU 77 -13.942 -16.550 -12.885 536 HB2 LEU 77 HB2 LEU 77 -12.046 -14.710 -11.492 537 HB3 LEU 77 HB3 LEU 77 -13.776 -14.379 -11.362 538 HG LEU 77 HG LEU 77 -12.603 -17.116 -10.774 539 HD11 LEU 77 HD11 LEU 77 -12.992 -14.739 -8.930 540 HD12 LEU 77 HD12 LEU 77 -11.507 -15.647 -9.210 541 HD13 LEU 77 HD13 LEU 77 -12.848 -16.395 -8.340 542 HD21 LEU 77 HD21 LEU 77 -14.945 -17.285 -11.056 543 HD22 LEU 77 HD22 LEU 77 -15.252 -15.710 -10.327 544 HD23 LEU 77 HD23 LEU 77 -14.789 -17.069 -9.317 545 H TYR 78 H TYR 78 -15.667 -15.168 -13.326 546 HA TYR 78 HA TYR 78 -15.103 -13.138 -15.392 547 HB2 TYR 78 HB2 TYR 78 -16.664 -15.021 -15.971 548 HB3 TYR 78 HB3 TYR 78 -17.763 -14.430 -14.722 549 HD1 TYR 78 HD1 TYR 78 -16.159 -13.629 -17.970 550 HD2 TYR 78 HD2 TYR 78 -19.072 -12.428 -15.050 551 HE1 TYR 78 HE1 TYR 78 -17.079 -11.972 -19.569 552 HE2 TYR 78 HE2 TYR 78 -19.992 -10.772 -16.649 553 HH TYR 78 HH TYR 78 -18.376 -9.968 -19.597 554 H PHE 79 H PHE 79 -14.501 -11.507 -13.957 555 HA PHE 79 HA PHE 79 -16.185 -10.710 -11.746 556 HB2 PHE 79 HB2 PHE 79 -13.766 -9.450 -13.042 557 HB3 PHE 79 HB3 PHE 79 -14.625 -8.711 -11.692 558 HD1 PHE 79 HD1 PHE 79 -12.471 -11.498 -12.748 559 HD2 PHE 79 HD2 PHE 79 -14.589 -9.714 -9.469 560 HE1 PHE 79 HE1 PHE 79 -11.197 -12.907 -11.154 561 HE2 PHE 79 HE2 PHE 79 -13.319 -11.126 -7.878 562 HZ PHE 79 HZ PHE 79 -11.620 -12.722 -8.720 563 H THR 80 H THR 80 -17.961 -9.552 -11.926 564 HA THR 80 HA THR 80 -18.749 -8.280 -14.359 565 HB THR 80 HB THR 80 -19.931 -8.039 -11.571 566 HG1 THR 80 HG1 THR 80 -20.783 -9.903 -11.980 567 HG21 THR 80 HG21 THR 80 -21.269 -7.528 -14.240 568 HG22 THR 80 HG22 THR 80 -20.576 -6.243 -13.250 569 HG23 THR 80 HG23 THR 80 -21.920 -7.203 -12.633 570 H GLN 81 H GLN 81 -17.503 -7.179 -11.236 571 HA GLN 81 HA GLN 81 -16.155 -4.975 -12.345 572 HB2 GLN 81 HB2 GLN 81 -17.427 -3.121 -11.309 573 HB3 GLN 81 HB3 GLN 81 -18.365 -3.965 -12.548 574 HG2 GLN 81 HG2 GLN 81 -19.483 -5.290 -10.747 575 HG3 GLN 81 HG3 GLN 81 -18.590 -4.363 -9.540 576 HE21 GLN 81 HE21 GLN 81 -21.564 -4.494 -11.030 577 HE22 GLN 81 HE22 GLN 81 -22.014 -2.863 -10.889 578 H PHE 82 H PHE 82 -14.981 -3.737 -10.730 579 HA PHE 82 HA PHE 82 -15.011 -4.892 -8.034 580 HB2 PHE 82 HB2 PHE 82 -12.560 -5.073 -8.004 581 HB3 PHE 82 HB3 PHE 82 -13.326 -6.140 -9.178 582 HD1 PHE 82 HD1 PHE 82 -11.254 -3.120 -8.733 583 HD2 PHE 82 HD2 PHE 82 -13.081 -5.765 -11.581 584 HE1 PHE 82 HE1 PHE 82 -9.878 -2.127 -10.541 585 HE2 PHE 82 HE2 PHE 82 -11.707 -4.771 -13.388 586 HZ PHE 82 HZ PHE 82 -10.107 -2.957 -12.869 587 H LYS 83 H LYS 83 -14.195 -3.592 -6.398 588 HA LYS 83 HA LYS 83 -13.524 -0.824 -7.112 589 HB2 LYS 83 HB2 LYS 83 -15.786 -1.483 -5.205 590 HB3 LYS 83 HB3 LYS 83 -15.299 0.115 -5.780 591 HG2 LYS 83 HG2 LYS 83 -15.819 -0.752 -8.158 592 HG3 LYS 83 HG3 LYS 83 -16.561 -2.126 -7.369 593 HD2 LYS 83 HD2 LYS 83 -18.096 -0.678 -6.125 594 HD3 LYS 83 HD3 LYS 83 -17.396 0.745 -6.901 595 HE2 LYS 83 HE2 LYS 83 -18.061 -0.119 -9.108 596 HE3 LYS 83 HE3 LYS 83 -18.765 -1.547 -8.346 597 HZ1 LYS 83 HZ1 LYS 83 -19.993 0.346 -6.971 598 HZ2 LYS 83 HZ2 LYS 83 -20.603 -0.259 -8.436 599 HZ3 LYS 83 HZ3 LYS 83 -19.740 1.203 -8.411 600 H ALA 84 H ALA 84 -12.534 0.370 -5.452 601 HA ALA 84 HA ALA 84 -11.931 -0.999 -2.930 602 HB1 ALA 84 HB1 ALA 84 -10.007 -1.659 -4.104 603 HB2 ALA 84 HB2 ALA 84 -9.495 -0.206 -3.248 604 HB3 ALA 84 HB3 ALA 84 -9.896 -0.123 -4.963 605 H GLU 85 H GLU 85 -11.697 0.379 -1.213 606 HA GLU 85 HA GLU 85 -11.267 3.216 -1.647 607 HB2 GLU 85 HB2 GLU 85 -13.350 3.919 -0.525 608 HB3 GLU 85 HB3 GLU 85 -13.692 3.013 -1.996 609 HG2 GLU 85 HG2 GLU 85 -14.073 0.961 -0.664 610 HG3 GLU 85 HG3 GLU 85 -13.736 1.871 0.814 611 H VAL 86 H VAL 86 -11.294 4.389 0.556 612 HA VAL 86 HA VAL 86 -10.330 2.571 2.685 613 HB VAL 86 HB VAL 86 -8.568 4.207 3.252 614 HG11 VAL 86 HG11 VAL 86 -8.356 3.412 0.340 615 HG12 VAL 86 HG12 VAL 86 -8.239 2.244 1.655 616 HG13 VAL 86 HG13 VAL 86 -7.054 3.542 1.522 617 HG21 VAL 86 HG21 VAL 86 -9.585 6.236 2.293 618 HG22 VAL 86 HG22 VAL 86 -9.451 5.554 0.671 619 HG23 VAL 86 HG23 VAL 86 -7.995 5.966 1.576 620 H ARG 87 H ARG 87 -10.360 3.466 4.851 621 HA ARG 87 HA ARG 87 -12.265 5.685 5.213 622 HB2 ARG 87 HB2 ARG 87 -12.337 3.051 6.699 623 HB3 ARG 87 HB3 ARG 87 -13.348 4.450 7.059 624 HG2 ARG 87 HG2 ARG 87 -13.318 3.054 4.359 625 HG3 ARG 87 HG3 ARG 87 -14.480 2.680 5.630 626 HD2 ARG 87 HD2 ARG 87 -14.113 5.398 4.311 627 HD3 ARG 87 HD3 ARG 87 -15.439 4.278 4.015 628 HE ARG 87 HE ARG 87 -15.100 5.992 6.345 629 HH11 ARG 87 HH11 ARG 87 -16.749 3.185 5.026 630 HH12 ARG 87 HH12 ARG 87 -18.047 3.258 6.171 631 HH21 ARG 87 HH21 ARG 87 -16.806 6.050 7.824 632 HH22 ARG 87 HH22 ARG 87 -18.077 4.874 7.747 633 H GLY 88 H GLY 88 -12.029 6.925 7.045 634 HA2 GLY 88 HA2 GLY 88 -11.002 7.760 8.971 635 HA3 GLY 88 HA3 GLY 88 -9.928 6.363 8.971 636 H ALA 89 H ALA 89 -9.869 7.602 5.878 637 HA ALA 89 HA ALA 89 -7.933 9.719 6.268 638 HB1 ALA 89 HB1 ALA 89 -6.150 8.577 5.046 639 HB2 ALA 89 HB2 ALA 89 -7.139 7.121 4.932 640 HB3 ALA 89 HB3 ALA 89 -6.565 7.677 6.505 641 H GLU 90 H GLU 90 -7.200 10.596 4.153 642 HA GLU 90 HA GLU 90 -9.323 10.351 2.113 643 HB2 GLU 90 HB2 GLU 90 -8.624 12.555 1.329 644 HB3 GLU 90 HB3 GLU 90 -9.082 12.604 3.029 645 HG2 GLU 90 HG2 GLU 90 -6.187 12.108 2.420 646 HG3 GLU 90 HG3 GLU 90 -6.849 13.703 2.103 647 H ILE 91 H ILE 91 -8.830 10.064 -0.018 648 HA ILE 91 HA ILE 91 -6.354 8.638 -0.450 649 HB ILE 91 HB ILE 91 -7.336 8.140 -2.714 650 HG12 ILE 91 HG12 ILE 91 -9.894 9.310 -1.560 651 HG13 ILE 91 HG13 ILE 91 -8.875 10.226 -2.664 652 HG21 ILE 91 HG21 ILE 91 -9.161 6.671 -1.728 653 HG22 ILE 91 HG22 ILE 91 -8.822 7.447 -0.179 654 HG23 ILE 91 HG23 ILE 91 -7.565 6.511 -0.993 655 HD11 ILE 91 HD11 ILE 91 -10.698 9.076 -3.881 656 HD12 ILE 91 HD12 ILE 91 -10.132 7.525 -3.260 657 HD13 ILE 91 HD13 ILE 91 -9.122 8.451 -4.370 658 H GLU 92 H GLU 92 -4.592 9.351 -1.373 659 HA GLU 92 HA GLU 92 -4.479 12.030 -2.500 660 HB2 GLU 92 HB2 GLU 92 -2.384 9.892 -2.064 661 HB3 GLU 92 HB3 GLU 92 -2.048 11.458 -2.807 662 HG2 GLU 92 HG2 GLU 92 -2.778 12.619 -0.797 663 HG3 GLU 92 HG3 GLU 92 -3.257 11.092 -0.051 664 H TYR 93 H TYR 93 -4.031 8.654 -3.488 665 HA TYR 93 HA TYR 93 -5.048 9.095 -6.098 666 HB2 TYR 93 HB2 TYR 93 -2.743 10.099 -6.254 667 HB3 TYR 93 HB3 TYR 93 -2.094 8.482 -5.987 668 HD1 TYR 93 HD1 TYR 93 -4.143 10.577 -8.259 669 HD2 TYR 93 HD2 TYR 93 -2.148 6.813 -7.718 670 HE1 TYR 93 HE1 TYR 93 -4.457 10.069 -10.664 671 HE2 TYR 93 HE2 TYR 93 -2.464 6.303 -10.125 672 HH TYR 93 HH TYR 93 -2.794 7.903 -12.311 673 H ALA 94 H ALA 94 -6.009 7.269 -6.582 674 HA ALA 94 HA ALA 94 -4.915 4.700 -5.668 675 HB1 ALA 94 HB1 ALA 94 -6.942 4.991 -4.491 676 HB2 ALA 94 HB2 ALA 94 -7.394 3.992 -5.875 677 HB3 ALA 94 HB3 ALA 94 -7.743 5.719 -5.883 678 H MET 95 H MET 95 -4.459 3.249 -7.237 679 HA MET 95 HA MET 95 -5.769 3.397 -9.841 680 HB2 MET 95 HB2 MET 95 -3.605 3.360 -11.048 681 HB3 MET 95 HB3 MET 95 -3.824 4.848 -10.124 682 HG2 MET 95 HG2 MET 95 -2.432 3.909 -8.296 683 HG3 MET 95 HG3 MET 95 -2.206 2.436 -9.243 684 HE1 MET 95 HE1 MET 95 0.108 2.925 -8.510 685 HE2 MET 95 HE2 MET 95 0.272 4.640 -8.149 686 HE3 MET 95 HE3 MET 95 1.270 3.917 -9.406 687 H ALA 96 H ALA 96 -5.206 1.553 -11.228 688 HA ALA 96 HA ALA 96 -4.352 -0.847 -9.747 689 HB1 ALA 96 HB1 ALA 96 -6.230 -2.075 -10.920 690 HB2 ALA 96 HB2 ALA 96 -6.875 -0.497 -11.367 691 HB3 ALA 96 HB3 ALA 96 -6.741 -0.941 -9.669 692 H TYR 97 H TYR 97 -3.535 -2.549 -11.094 693 HA TYR 97 HA TYR 97 -2.776 -1.626 -13.820 694 HB2 TYR 97 HB2 TYR 97 -1.197 -3.341 -11.910 695 HB3 TYR 97 HB3 TYR 97 -0.731 -3.009 -13.572 696 HD1 TYR 97 HD1 TYR 97 -0.220 -1.979 -10.261 697 HD2 TYR 97 HD2 TYR 97 -0.855 -0.352 -14.190 698 HE1 TYR 97 HE1 TYR 97 0.849 0.149 -9.562 699 HE2 TYR 97 HE2 TYR 97 0.209 1.772 -13.479 700 HH TYR 97 HH TYR 97 2.136 2.127 -11.018 701 H SER 98 H SER 98 -3.822 -2.692 -15.346 702 HA SER 98 HA SER 98 -5.067 -5.243 -15.003 703 HB2 SER 98 HB2 SER 98 -4.414 -3.665 -17.494 704 HB3 SER 98 HB3 SER 98 -5.379 -5.143 -17.467 705 HG SER 98 HG SER 98 -6.648 -3.226 -17.347 706 H LYS 99 H LYS 99 -2.078 -4.142 -16.516 707 HA LYS 99 HA LYS 99 -1.158 -6.948 -16.677 708 HB2 LYS 99 HB2 LYS 99 -1.856 -6.000 -18.911 709 HB3 LYS 99 HB3 LYS 99 -0.572 -4.810 -18.735 710 HG2 LYS 99 HG2 LYS 99 0.405 -6.553 -20.025 711 HG3 LYS 99 HG3 LYS 99 1.019 -6.805 -18.390 712 HD2 LYS 99 HD2 LYS 99 0.341 -8.963 -19.161 713 HD3 LYS 99 HD3 LYS 99 -0.935 -8.447 -18.065 714 HE2 LYS 99 HE2 LYS 99 -2.335 -7.756 -19.938 715 HE3 LYS 99 HE3 LYS 99 -1.035 -8.098 -21.078 716 HZ1 LYS 99 HZ1 LYS 99 -2.700 -9.970 -19.539 717 HZ2 LYS 99 HZ2 LYS 99 -1.137 -10.438 -20.017 718 HZ3 LYS 99 HZ3 LYS 99 -2.293 -10.000 -21.184 719 H ALA 100 H ALA 100 0.763 -7.324 -15.806 720 HA ALA 100 HA ALA 100 2.280 -5.133 -14.649 721 HB1 ALA 100 HB1 ALA 100 3.775 -7.097 -13.907 722 HB2 ALA 100 HB2 ALA 100 2.493 -8.136 -14.527 723 HB3 ALA 100 HB3 ALA 100 2.155 -7.002 -13.220 724 H ALA 101 H ALA 101 4.181 -4.353 -15.369 725 HA ALA 101 HA ALA 101 4.917 -4.608 -18.056 726 HB1 ALA 101 HB1 ALA 101 6.098 -3.366 -15.638 727 HB2 ALA 101 HB2 ALA 101 5.762 -2.666 -17.217 728 HB3 ALA 101 HB3 ALA 101 7.201 -3.654 -16.984 729 H PHE 102 H PHE 102 6.218 -5.844 -19.152 730 HA PHE 102 HA PHE 102 7.731 -7.963 -17.769 731 HB2 PHE 102 HB2 PHE 102 5.805 -8.577 -19.401 732 HB3 PHE 102 HB3 PHE 102 6.902 -8.029 -20.673 733 HD1 PHE 102 HD1 PHE 102 6.764 -10.313 -17.703 734 HD2 PHE 102 HD2 PHE 102 8.511 -9.519 -21.548 735 HE1 PHE 102 HE1 PHE 102 7.932 -12.501 -17.627 736 HE2 PHE 102 HE2 PHE 102 9.679 -11.704 -21.468 737 HZ PHE 102 HZ PHE 102 9.389 -13.195 -19.508 738 H GLU 103 H GLU 103 9.700 -8.662 -19.141 739 HA GLU 103 HA GLU 103 11.505 -6.542 -19.314 740 HB2 GLU 103 HB2 GLU 103 12.137 -8.949 -19.096 741 HB3 GLU 103 HB3 GLU 103 11.681 -9.191 -20.785 742 HG2 GLU 103 HG2 GLU 103 13.373 -7.557 -21.499 743 HG3 GLU 103 HG3 GLU 103 13.806 -7.247 -19.816 744 H ARG 104 H ARG 104 9.494 -8.051 -21.820 745 HA ARG 104 HA ARG 104 10.406 -6.029 -23.766 746 HB2 ARG 104 HB2 ARG 104 9.087 -8.713 -24.166 747 HB3 ARG 104 HB3 ARG 104 9.361 -7.547 -25.466 748 HG2 ARG 104 HG2 ARG 104 11.779 -7.571 -24.981 749 HG3 ARG 104 HG3 ARG 104 11.506 -8.742 -23.686 750 HD2 ARG 104 HD2 ARG 104 10.593 -10.342 -25.318 751 HD3 ARG 104 HD3 ARG 104 10.853 -9.177 -26.614 752 HE ARG 104 HE ARG 104 13.300 -9.583 -25.258 753 HH11 ARG 104 HH11 ARG 104 11.113 -11.340 -27.367 754 HH12 ARG 104 HH12 ARG 104 12.362 -12.340 -28.031 755 HH21 ARG 104 HH21 ARG 104 14.897 -10.905 -26.147 756 HH22 ARG 104 HH22 ARG 104 14.493 -12.092 -27.341 757 H GLU 105 H GLU 105 7.957 -6.296 -21.558 758 HA GLU 105 HA GLU 105 6.064 -4.853 -23.322 759 HB2 GLU 105 HB2 GLU 105 5.273 -6.845 -21.183 760 HB3 GLU 105 HB3 GLU 105 4.176 -5.912 -22.191 761 HG2 GLU 105 HG2 GLU 105 5.179 -6.984 -24.217 762 HG3 GLU 105 HG3 GLU 105 6.155 -7.995 -23.154 763 H SER 106 H SER 106 4.904 -3.178 -22.420 764 HA SER 106 HA SER 106 6.063 -2.001 -20.026 765 HB2 SER 106 HB2 SER 106 4.844 -0.004 -20.633 766 HB3 SER 106 HB3 SER 106 5.625 -0.652 -22.073 767 HG SER 106 HG SER 106 3.232 -0.030 -22.056 768 H ASP 107 H ASP 107 4.615 -0.971 -18.412 769 HA ASP 107 HA ASP 107 2.629 -2.870 -17.437 770 HB2 ASP 107 HB2 ASP 107 4.286 -1.930 -15.876 771 HB3 ASP 107 HB3 ASP 107 3.694 -0.306 -16.220 772 H VAL 108 H VAL 108 0.549 -2.704 -18.076 773 HA VAL 108 HA VAL 108 -0.445 -0.134 -19.074 774 HB VAL 108 HB VAL 108 -1.707 -2.900 -19.157 775 HG11 VAL 108 HG11 VAL 108 -3.142 -1.816 -20.950 776 HG12 VAL 108 HG12 VAL 108 -2.497 -0.259 -20.430 777 HG13 VAL 108 HG13 VAL 108 -3.452 -1.235 -19.313 778 HG21 VAL 108 HG21 VAL 108 0.295 -2.843 -20.534 779 HG22 VAL 108 HG22 VAL 108 -0.164 -1.283 -21.218 780 HG23 VAL 108 HG23 VAL 108 -1.099 -2.726 -21.609 781 HA PRO 109 HA PRO 109 -2.649 0.137 -15.007 782 HB2 PRO 109 HB2 PRO 109 -2.962 2.769 -14.860 783 HB3 PRO 109 HB3 PRO 109 -1.353 2.039 -14.658 784 HG2 PRO 109 HG2 PRO 109 -2.521 3.376 -17.057 785 HG3 PRO 109 HG3 PRO 109 -0.899 3.538 -16.353 786 HD2 PRO 109 HD2 PRO 109 -1.480 1.912 -18.513 787 HD3 PRO 109 HD3 PRO 109 -0.103 1.655 -17.416 788 H LEU 110 H LEU 110 -4.816 0.512 -14.421 789 HA LEU 110 HA LEU 110 -6.780 0.612 -16.548 790 HB2 LEU 110 HB2 LEU 110 -7.004 0.380 -13.546 791 HB3 LEU 110 HB3 LEU 110 -8.417 0.549 -14.590 792 HG LEU 110 HG LEU 110 -6.329 -1.606 -15.013 793 HD11 LEU 110 HD11 LEU 110 -8.826 -1.588 -13.302 794 HD12 LEU 110 HD12 LEU 110 -7.201 -2.100 -12.855 795 HD13 LEU 110 HD13 LEU 110 -8.162 -3.087 -13.952 796 HD21 LEU 110 HD21 LEU 110 -9.139 -1.064 -16.033 797 HD22 LEU 110 HD22 LEU 110 -8.391 -2.654 -16.168 798 HD23 LEU 110 HD23 LEU 110 -7.664 -1.267 -16.976 799 H LYS 111 H LYS 111 -8.418 2.169 -16.782 800 HA LYS 111 HA LYS 111 -7.524 4.866 -16.173 801 HB2 LYS 111 HB2 LYS 111 -9.211 5.592 -17.771 802 HB3 LYS 111 HB3 LYS 111 -8.277 4.263 -18.463 803 HG2 LYS 111 HG2 LYS 111 -10.125 2.689 -17.694 804 HG3 LYS 111 HG3 LYS 111 -11.061 4.115 -17.252 805 HD2 LYS 111 HD2 LYS 111 -11.805 3.576 -19.438 806 HD3 LYS 111 HD3 LYS 111 -10.686 4.919 -19.668 807 HE2 LYS 111 HE2 LYS 111 -8.887 3.355 -20.255 808 HE3 LYS 111 HE3 LYS 111 -9.959 1.986 -19.959 809 HZ1 LYS 111 HZ1 LYS 111 -9.997 3.939 -22.153 810 HZ2 LYS 111 HZ2 LYS 111 -11.455 3.214 -21.669 811 HZ3 LYS 111 HZ3 LYS 111 -10.163 2.253 -22.212 812 H THR 112 H THR 112 -8.889 6.494 -15.302 813 HA THR 112 HA THR 112 -10.287 5.789 -12.929 814 HB THR 112 HB THR 112 -10.300 8.412 -14.472 815 HG1 THR 112 HG1 THR 112 -8.535 8.892 -13.328 816 HG21 THR 112 HG21 THR 112 -12.113 8.441 -12.892 817 HG22 THR 112 HG22 THR 112 -10.788 9.339 -12.150 818 HG23 THR 112 HG23 THR 112 -11.120 7.682 -11.647 819 H GLU 113 H GLU 113 -11.286 6.601 -16.202 820 HA GLU 113 HA GLU 113 -13.997 7.026 -15.923 821 HB2 GLU 113 HB2 GLU 113 -12.590 7.316 -17.970 822 HB3 GLU 113 HB3 GLU 113 -12.686 5.572 -18.210 823 HG2 GLU 113 HG2 GLU 113 -15.134 5.700 -18.303 824 HG3 GLU 113 HG3 GLU 113 -15.069 7.445 -18.040 825 H GLU 114 H GLU 114 -12.267 4.001 -15.669 826 HA GLU 114 HA GLU 114 -14.325 2.193 -16.350 827 HB2 GLU 114 HB2 GLU 114 -11.950 1.536 -16.109 828 HB3 GLU 114 HB3 GLU 114 -12.056 1.807 -14.367 829 HG2 GLU 114 HG2 GLU 114 -13.843 0.070 -14.234 830 HG3 GLU 114 HG3 GLU 114 -13.673 -0.216 -15.963 831 H PHE 115 H PHE 115 -13.482 3.753 -13.286 832 HA PHE 115 HA PHE 115 -16.144 3.362 -12.233 833 HB2 PHE 115 HB2 PHE 115 -15.515 2.023 -10.264 834 HB3 PHE 115 HB3 PHE 115 -15.254 1.139 -11.768 835 HD1 PHE 115 HD1 PHE 115 -13.617 2.832 -8.933 836 HD2 PHE 115 HD2 PHE 115 -12.991 0.661 -12.585 837 HE1 PHE 115 HE1 PHE 115 -11.236 2.499 -8.326 838 HE2 PHE 115 HE2 PHE 115 -10.610 0.328 -11.979 839 HZ PHE 115 HZ PHE 115 -9.732 1.247 -9.849 840 H GLU 116 H GLU 116 -16.361 4.172 -9.970 841 HA GLU 116 HA GLU 116 -14.502 6.421 -9.489 842 HB2 GLU 116 HB2 GLU 116 -16.599 7.312 -10.260 843 HB3 GLU 116 HB3 GLU 116 -17.509 6.280 -9.162 844 HG2 GLU 116 HG2 GLU 116 -16.835 7.511 -7.247 845 HG3 GLU 116 HG3 GLU 116 -15.530 8.328 -8.093 846 H VAL 117 H VAL 117 -13.612 6.625 -7.554 847 HA VAL 117 HA VAL 117 -14.722 5.116 -5.272 848 HB VAL 117 HB VAL 117 -12.422 4.630 -4.495 849 HG11 VAL 117 HG11 VAL 117 -12.877 3.617 -7.310 850 HG12 VAL 117 HG12 VAL 117 -13.748 3.018 -5.899 851 HG13 VAL 117 HG13 VAL 117 -12.000 2.802 -6.016 852 HG21 VAL 117 HG21 VAL 117 -10.521 4.916 -6.061 853 HG22 VAL 117 HG22 VAL 117 -11.257 6.476 -5.694 854 HG23 VAL 117 HG23 VAL 117 -11.594 5.684 -7.232 855 H THR 118 H THR 118 -14.806 6.196 -3.404 856 HA THR 118 HA THR 118 -13.512 8.841 -3.194 857 HB THR 118 HB THR 118 -15.500 9.748 -2.092 858 HG1 THR 118 HG1 THR 118 -16.873 8.379 -1.373 859 HG21 THR 118 HG21 THR 118 -16.127 8.523 -4.783 860 HG22 THR 118 HG22 THR 118 -15.239 10.026 -4.519 861 HG23 THR 118 HG23 THR 118 -16.937 9.913 -4.058 862 H LYS 119 H LYS 119 -13.471 9.662 -0.973 863 HA LYS 119 HA LYS 119 -12.061 7.941 0.687 864 HB2 LYS 119 HB2 LYS 119 -12.276 9.689 2.406 865 HB3 LYS 119 HB3 LYS 119 -11.876 10.374 0.832 866 HG2 LYS 119 HG2 LYS 119 -14.274 10.913 0.464 867 HG3 LYS 119 HG3 LYS 119 -14.660 10.269 2.055 868 HD2 LYS 119 HD2 LYS 119 -12.654 12.503 1.650 869 HD3 LYS 119 HD3 LYS 119 -14.368 12.811 1.928 870 HE2 LYS 119 HE2 LYS 119 -14.220 11.500 4.054 871 HE3 LYS 119 HE3 LYS 119 -12.486 11.323 3.787 872 HZ1 LYS 119 HZ1 LYS 119 -12.547 13.180 5.095 873 HZ2 LYS 119 HZ2 LYS 119 -14.029 13.724 4.465 874 HZ3 LYS 119 HZ3 LYS 119 -12.601 13.897 3.559 875 H THR 120 H THR 120 -15.510 8.319 0.386 876 HA THR 120 HA THR 120 -15.894 6.258 2.418 877 HB THR 120 HB THR 120 -16.000 8.309 3.732 878 HG1 THR 120 HG1 THR 120 -17.467 6.523 4.111 879 HG21 THR 120 HG21 THR 120 -17.551 10.072 3.298 880 HG22 THR 120 HG22 THR 120 -18.383 9.132 2.060 881 HG23 THR 120 HG23 THR 120 -16.756 9.742 1.760 882 H ALA 121 H ALA 121 -16.333 6.569 -0.546 883 HA ALA 121 HA ALA 121 -18.898 5.251 -0.640 884 HB1 ALA 121 HB1 ALA 121 -19.168 7.914 -0.740 885 HB2 ALA 121 HB2 ALA 121 -20.211 6.821 -1.647 886 HB3 ALA 121 HB3 ALA 121 -18.853 7.610 -2.448 887 H VAL 122 H VAL 122 -19.439 4.432 -2.782 888 HA VAL 122 HA VAL 122 -17.210 4.423 -4.708 889 HB VAL 122 HB VAL 122 -17.498 1.989 -5.074 890 HG11 VAL 122 HG11 VAL 122 -15.701 2.690 -3.667 891 HG12 VAL 122 HG12 VAL 122 -16.454 1.291 -2.897 892 HG13 VAL 122 HG13 VAL 122 -16.788 2.918 -2.297 893 HG21 VAL 122 HG21 VAL 122 -19.265 2.171 -2.602 894 HG22 VAL 122 HG22 VAL 122 -18.713 0.669 -3.342 895 HG23 VAL 122 HG23 VAL 122 -19.802 1.737 -4.226 896 H ALA 123 H ALA 123 -17.794 3.914 -6.877 897 HA ALA 123 HA ALA 123 -20.577 3.550 -7.502 898 HB1 ALA 123 HB1 ALA 123 -21.130 5.607 -8.266 899 HB2 ALA 123 HB2 ALA 123 -19.546 5.882 -8.985 900 HB3 ALA 123 HB3 ALA 123 -19.793 6.160 -7.262 901 H HIS 124 H HIS 124 -20.957 3.009 -9.713 902 HA HIS 124 HA HIS 124 -18.552 2.021 -11.087 903 HB2 HIS 124 HB2 HIS 124 -20.067 0.469 -12.268 904 HB3 HIS 124 HB3 HIS 124 -20.203 0.284 -10.520 905 HD2 HIS 124 HD2 HIS 124 -22.447 1.197 -13.554 906 HE1 HIS 124 HE1 HIS 124 -24.754 1.876 -10.082 907 HE2 HIS 124 HE2 HIS 124 -24.827 1.724 -12.615 908 H ARG 125 H ARG 125 -18.311 2.298 -13.327 909 HA ARG 125 HA ARG 125 -19.788 4.608 -14.429 910 HB2 ARG 125 HB2 ARG 125 -16.963 3.668 -14.949 911 HB3 ARG 125 HB3 ARG 125 -17.733 5.005 -15.796 912 HG2 ARG 125 HG2 ARG 125 -17.447 4.917 -12.775 913 HG3 ARG 125 HG3 ARG 125 -16.259 5.685 -13.832 914 HD2 ARG 125 HD2 ARG 125 -19.203 6.435 -13.648 915 HD3 ARG 125 HD3 ARG 125 -17.864 7.341 -12.953 916 HE ARG 125 HE ARG 125 -18.623 7.242 -15.765 917 HH11 ARG 125 HH11 ARG 125 -16.110 8.082 -13.457 918 HH12 ARG 125 HH12 ARG 125 -15.309 9.167 -14.544 919 HH21 ARG 125 HH21 ARG 125 -17.545 8.667 -17.148 920 HH22 ARG 125 HH22 ARG 125 -16.117 9.494 -16.619 921 HA PRO 126 HA PRO 126 -21.356 1.996 -17.749 922 HB2 PRO 126 HB2 PRO 126 -20.725 4.260 -19.589 923 HB3 PRO 126 HB3 PRO 126 -22.258 3.397 -19.339 924 HG2 PRO 126 HG2 PRO 126 -21.958 5.825 -18.386 925 HG3 PRO 126 HG3 PRO 126 -22.761 4.576 -17.410 926 HD2 PRO 126 HD2 PRO 126 -19.957 5.632 -17.159 927 HD3 PRO 126 HD3 PRO 126 -21.139 5.237 -15.881 928 H GLY 127 H GLY 127 -20.494 0.578 -19.264 929 HA2 GLY 127 HA2 GLY 127 -18.976 -0.332 -20.781 930 HA3 GLY 127 HA3 GLY 127 -18.020 1.142 -20.659 931 H ALA 128 H ALA 128 -18.814 -0.214 -17.611 932 HA ALA 128 HA ALA 128 -16.179 -0.615 -16.792 933 HB1 ALA 128 HB1 ALA 128 -18.204 -0.343 -15.312 934 HB2 ALA 128 HB2 ALA 128 -17.086 -1.613 -14.817 935 HB3 ALA 128 HB3 ALA 128 -18.587 -2.032 -15.644 936 H PHE 129 H PHE 129 -14.977 -2.483 -16.378 937 HA PHE 129 HA PHE 129 -15.051 -4.444 -18.458 938 HB2 PHE 129 HB2 PHE 129 -13.402 -4.169 -15.949 939 HB3 PHE 129 HB3 PHE 129 -13.215 -5.521 -17.066 940 HD1 PHE 129 HD1 PHE 129 -12.986 -1.839 -16.737 941 HD2 PHE 129 HD2 PHE 129 -12.139 -5.241 -19.204 942 HE1 PHE 129 HE1 PHE 129 -11.569 -0.421 -18.198 943 HE2 PHE 129 HE2 PHE 129 -10.722 -3.828 -20.671 944 HZ PHE 129 HZ PHE 129 -10.438 -1.417 -20.167 945 H LYS 130 H LYS 130 -15.562 -6.593 -18.429 946 HA LYS 130 HA LYS 130 -16.986 -7.578 -16.028 947 HB2 LYS 130 HB2 LYS 130 -17.791 -8.086 -18.897 948 HB3 LYS 130 HB3 LYS 130 -18.561 -8.758 -17.450 949 HG2 LYS 130 HG2 LYS 130 -19.166 -6.540 -16.666 950 HG3 LYS 130 HG3 LYS 130 -18.284 -5.796 -18.005 951 HD2 LYS 130 HD2 LYS 130 -20.612 -5.775 -18.625 952 HD3 LYS 130 HD3 LYS 130 -19.854 -7.049 -19.579 953 HE2 LYS 130 HE2 LYS 130 -20.665 -8.749 -18.004 954 HE3 LYS 130 HE3 LYS 130 -21.359 -7.494 -16.978 955 HZ1 LYS 130 HZ1 LYS 130 -22.515 -6.852 -19.239 956 HZ2 LYS 130 HZ2 LYS 130 -23.173 -8.027 -18.202 957 HZ3 LYS 130 HZ3 LYS 130 -22.276 -8.499 -19.566 958 H ALA 131 H ALA 131 -14.709 -8.256 -18.560 959 HA ALA 131 HA ALA 131 -14.305 -10.982 -17.470 960 HB1 ALA 131 HB1 ALA 131 -15.149 -11.420 -19.600 961 HB2 ALA 131 HB2 ALA 131 -13.404 -11.472 -19.850 962 HB3 ALA 131 HB3 ALA 131 -14.320 -10.041 -20.322 963 H GLU 132 H GLU 132 -12.961 -8.089 -17.251 964 HA GLU 132 HA GLU 132 -10.187 -8.972 -17.790 965 HB2 GLU 132 HB2 GLU 132 -10.872 -6.907 -18.943 966 HB3 GLU 132 HB3 GLU 132 -11.279 -6.168 -17.394 967 HG2 GLU 132 HG2 GLU 132 -9.052 -5.414 -18.119 968 HG3 GLU 132 HG3 GLU 132 -8.903 -6.408 -16.675 969 H LEU 133 H LEU 133 -8.763 -9.261 -16.188 970 HA LEU 133 HA LEU 133 -9.608 -8.660 -13.413 971 HB2 LEU 133 HB2 LEU 133 -7.938 -10.850 -14.632 972 HB3 LEU 133 HB3 LEU 133 -7.689 -10.399 -12.944 973 HG LEU 133 HG LEU 133 -10.225 -10.686 -12.653 974 HD11 LEU 133 HD11 LEU 133 -10.911 -10.658 -14.976 975 HD12 LEU 133 HD12 LEU 133 -11.251 -12.263 -14.333 976 HD13 LEU 133 HD13 LEU 133 -9.839 -12.005 -15.356 977 HD21 LEU 133 HD21 LEU 133 -8.382 -12.999 -13.315 978 HD22 LEU 133 HD22 LEU 133 -9.991 -13.242 -12.636 979 HD23 LEU 133 HD23 LEU 133 -8.773 -12.354 -11.722 980 H SER 134 H SER 134 -8.220 -7.604 -12.005 981 HA SER 134 HA SER 134 -5.557 -6.825 -12.852 982 HB2 SER 134 HB2 SER 134 -6.912 -5.157 -14.009 983 HB3 SER 134 HB3 SER 134 -7.740 -4.764 -12.507 984 HG SER 134 HG SER 134 -5.904 -3.872 -11.730 985 H LYS 135 H LYS 135 -4.571 -5.262 -11.201 986 HA LYS 135 HA LYS 135 -5.470 -6.019 -8.477 987 HB2 LYS 135 HB2 LYS 135 -3.076 -5.610 -7.795 988 HB3 LYS 135 HB3 LYS 135 -3.307 -7.032 -8.807 989 HG2 LYS 135 HG2 LYS 135 -2.660 -4.406 -10.158 990 HG3 LYS 135 HG3 LYS 135 -1.368 -5.225 -9.294 991 HD2 LYS 135 HD2 LYS 135 -3.076 -6.667 -11.340 992 HD3 LYS 135 HD3 LYS 135 -1.609 -5.793 -11.785 993 HE2 LYS 135 HE2 LYS 135 -0.337 -7.166 -10.136 994 HE3 LYS 135 HE3 LYS 135 -1.806 -8.095 -9.822 995 HZ1 LYS 135 HZ1 LYS 135 -0.067 -8.853 -11.613 996 HZ2 LYS 135 HZ2 LYS 135 -0.939 -7.777 -12.598 997 HZ3 LYS 135 HZ3 LYS 135 -1.730 -9.083 -11.852 998 H LEU 136 H LEU 136 -5.366 -4.464 -6.848 999 HA LEU 136 HA LEU 136 -5.340 -1.661 -7.828 1000 HB2 LEU 136 HB2 LEU 136 -6.796 -2.823 -5.464 1001 HB3 LEU 136 HB3 LEU 136 -6.850 -1.143 -5.998 1002 HG LEU 136 HG LEU 136 -7.596 -2.264 -8.327 1003 HD11 LEU 136 HD11 LEU 136 -8.154 -4.385 -6.260 1004 HD12 LEU 136 HD12 LEU 136 -7.459 -4.562 -7.869 1005 HD13 LEU 136 HD13 LEU 136 -9.175 -4.228 -7.689 1006 HD21 LEU 136 HD21 LEU 136 -8.897 -0.715 -6.713 1007 HD22 LEU 136 HD22 LEU 136 -9.639 -2.193 -6.096 1008 HD23 LEU 136 HD23 LEU 136 -9.850 -1.740 -7.788 1009 H VAL 137 H VAL 137 -3.746 -0.442 -7.214 1010 HA VAL 137 HA VAL 137 -2.600 -0.796 -4.523 1011 HB VAL 137 HB VAL 137 -0.962 -1.625 -6.206 1012 HG11 VAL 137 HG11 VAL 137 -0.023 -0.154 -7.888 1013 HG12 VAL 137 HG12 VAL 137 -1.042 1.180 -7.349 1014 HG13 VAL 137 HG13 VAL 137 -1.770 -0.235 -8.111 1015 HG21 VAL 137 HG21 VAL 137 -0.262 -0.319 -4.123 1016 HG22 VAL 137 HG22 VAL 137 -0.049 1.078 -5.181 1017 HG23 VAL 137 HG23 VAL 137 0.928 -0.371 -5.425 1018 H ILE 138 H ILE 138 -3.047 0.909 -3.366 1019 HA ILE 138 HA ILE 138 -3.381 3.517 -4.709 1020 HB ILE 138 HB ILE 138 -5.477 3.838 -3.528 1021 HG12 ILE 138 HG12 ILE 138 -4.936 1.057 -2.401 1022 HG13 ILE 138 HG13 ILE 138 -5.041 2.609 -1.554 1023 HG21 ILE 138 HG21 ILE 138 -5.436 2.679 -5.781 1024 HG22 ILE 138 HG22 ILE 138 -6.846 2.266 -4.819 1025 HG23 ILE 138 HG23 ILE 138 -5.501 1.136 -4.940 1026 HD11 ILE 138 HD11 ILE 138 -7.442 2.785 -2.183 1027 HD12 ILE 138 HD12 ILE 138 -7.126 1.332 -1.224 1028 HD13 ILE 138 HD13 ILE 138 -7.317 1.210 -2.978 1029 H VAL 139 H VAL 139 -3.149 5.355 -3.461 1030 HA VAL 139 HA VAL 139 -1.833 4.994 -0.820 1031 HB VAL 139 HB VAL 139 -1.167 7.057 -2.961 1032 HG11 VAL 139 HG11 VAL 139 0.823 7.471 -1.375 1033 HG12 VAL 139 HG12 VAL 139 -0.116 6.602 -0.161 1034 HG13 VAL 139 HG13 VAL 139 -0.747 8.089 -0.861 1035 HG21 VAL 139 HG21 VAL 139 0.611 4.839 -1.912 1036 HG22 VAL 139 HG22 VAL 139 0.855 5.844 -3.340 1037 HG23 VAL 139 HG23 VAL 139 -0.420 4.626 -3.327 1038 H ALA 140 H ALA 140 -2.723 6.052 0.825 1039 HA ALA 140 HA ALA 140 -4.438 8.392 0.296 1040 HB1 ALA 140 HB1 ALA 140 -6.190 7.601 1.650 1041 HB2 ALA 140 HB2 ALA 140 -5.187 6.341 2.365 1042 HB3 ALA 140 HB3 ALA 140 -5.729 6.194 0.693 1043 H LYS 141 H LYS 141 -4.319 10.028 1.754 1044 HA LYS 141 HA LYS 141 -2.198 9.844 3.768 1045 HB2 LYS 141 HB2 LYS 141 -2.271 11.684 2.025 1046 HB3 LYS 141 HB3 LYS 141 -3.693 12.302 2.862 1047 HG2 LYS 141 HG2 LYS 141 -2.414 12.505 4.950 1048 HG3 LYS 141 HG3 LYS 141 -0.986 11.851 4.146 1049 HD2 LYS 141 HD2 LYS 141 -0.698 14.231 4.132 1050 HD3 LYS 141 HD3 LYS 141 -1.183 13.797 2.494 1051 HE2 LYS 141 HE2 LYS 141 -3.500 14.435 2.974 1052 HE3 LYS 141 HE3 LYS 141 -3.078 14.790 4.649 1053 HZ1 LYS 141 HZ1 LYS 141 -1.814 16.619 4.023 1054 HZ2 LYS 141 HZ2 LYS 141 -3.170 16.716 3.003 1055 HZ3 LYS 141 HZ3 LYS 141 -1.695 16.123 2.406 1056 H ALA 142 H ALA 142 -2.682 9.612 5.855 1057 HA ALA 142 HA ALA 142 -5.377 9.640 6.834 1058 HB1 ALA 142 HB1 ALA 142 -2.678 9.308 8.102 1059 HB2 ALA 142 HB2 ALA 142 -3.976 8.126 7.935 1060 HB3 ALA 142 HB3 ALA 142 -4.136 9.453 9.084 1061 H SER 143 H SER 143 -6.475 11.181 7.937 1062 HA SER 143 HA SER 143 -5.080 13.503 8.999 1063 HB2 SER 143 HB2 SER 143 -5.401 14.172 6.674 1064 HB3 SER 143 HB3 SER 143 -7.123 13.829 6.799 1065 HG SER 143 HG SER 143 -5.599 15.912 7.855 1066 H ARG 144 H ARG 144 -6.196 14.612 10.546 1067 HA ARG 144 HA ARG 144 -8.871 13.566 11.280 1068 HB2 ARG 144 HB2 ARG 144 -8.202 14.058 13.685 1069 HB3 ARG 144 HB3 ARG 144 -7.395 12.680 12.942 1070 HG2 ARG 144 HG2 ARG 144 -6.051 15.380 12.739 1071 HG3 ARG 144 HG3 ARG 144 -6.020 14.562 14.297 1072 HD2 ARG 144 HD2 ARG 144 -4.774 12.752 13.472 1073 HD3 ARG 144 HD3 ARG 144 -5.232 13.054 11.805 1074 HE ARG 144 HE ARG 144 -3.568 14.716 11.668 1075 HH11 ARG 144 HH11 ARG 144 -3.790 13.485 14.961 1076 HH12 ARG 144 HH12 ARG 144 -2.301 14.213 15.455 1077 HH21 ARG 144 HH21 ARG 144 -1.631 15.647 12.367 1078 HH22 ARG 144 HH22 ARG 144 -1.088 15.431 13.997 1079 H THR 145 H THR 145 -6.832 16.337 10.828 1080 HA THR 145 HA THR 145 -9.071 18.124 11.555 1081 HB THR 145 HB THR 145 -7.356 19.820 12.209 1082 HG1 THR 145 HG1 THR 145 -5.236 19.109 12.438 1083 HG21 THR 145 HG21 THR 145 -7.069 17.204 13.706 1084 HG22 THR 145 HG22 THR 145 -8.456 18.283 13.857 1085 HG23 THR 145 HG23 THR 145 -6.856 18.828 14.357 1086 H GLU 146 H GLU 146 -8.655 16.993 8.992 1087 HA GLU 146 HA GLU 146 -7.233 18.577 7.171 1088 HB2 GLU 146 HB2 GLU 146 -8.215 16.332 6.698 1089 HB3 GLU 146 HB3 GLU 146 -9.814 17.074 6.667 1090 HG2 GLU 146 HG2 GLU 146 -9.120 18.537 4.808 1091 HG3 GLU 146 HG3 GLU 146 -7.508 17.824 4.838 1092 H LEU 147 H LEU 147 -10.570 18.846 8.359 1093 HA LEU 147 HA LEU 147 -10.610 21.675 7.706 1094 HB2 LEU 147 HB2 LEU 147 -12.728 21.542 6.418 1095 HB3 LEU 147 HB3 LEU 147 -11.376 20.769 5.598 1096 HG LEU 147 HG LEU 147 -12.264 18.576 6.829 1097 HD11 LEU 147 HD11 LEU 147 -14.883 18.761 6.804 1098 HD12 LEU 147 HD12 LEU 147 -14.596 20.489 6.979 1099 HD13 LEU 147 HD13 LEU 147 -14.003 19.367 8.200 1100 HD21 LEU 147 HD21 LEU 147 -13.812 18.172 4.864 1101 HD22 LEU 147 HD22 LEU 147 -12.216 18.764 4.404 1102 HD23 LEU 147 HD23 LEU 147 -13.594 19.864 4.415 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 10.264 4.832 0.589 2 H2 GLY 1 HT2 GLY 1 10.513 5.154 -1.060 3 H3 GLY 1 HT3 GLY 1 11.841 4.991 -0.014 4 HA2 GLY 1 HA2 GLY 1 10.227 2.674 0.144 5 HA3 GLY 1 HA3 GLY 1 10.638 3.008 -1.539 6 H SER 2 H SER 2 13.105 4.255 -1.196 7 HA SER 2 HA SER 2 14.846 2.007 -0.896 8 HB2 SER 2 HB2 SER 2 16.631 3.548 -1.444 9 HB3 SER 2 HB3 SER 2 15.253 3.852 -2.496 10 HG SER 2 HG SER 2 16.467 5.479 -0.714 11 H LYS 3 H LYS 3 13.573 4.231 1.376 12 HA LYS 3 HA LYS 3 15.438 3.256 3.422 13 HB2 LYS 3 HB2 LYS 3 15.690 5.522 4.377 14 HB3 LYS 3 HB3 LYS 3 16.335 5.437 2.735 15 HG2 LYS 3 HG2 LYS 3 14.233 6.415 1.862 16 HG3 LYS 3 HG3 LYS 3 13.598 6.514 3.507 17 HD2 LYS 3 HD2 LYS 3 15.452 8.016 4.135 18 HD3 LYS 3 HD3 LYS 3 16.087 7.921 2.490 19 HE2 LYS 3 HE2 LYS 3 13.996 8.889 1.617 20 HE3 LYS 3 HE3 LYS 3 13.351 8.977 3.256 21 HZ1 LYS 3 HZ1 LYS 3 14.759 10.665 3.823 22 HZ2 LYS 3 HZ2 LYS 3 14.532 11.019 2.176 23 HZ3 LYS 3 HZ3 LYS 3 15.944 10.225 2.693 24 H GLY 4 H GLY 4 14.649 3.503 5.611 25 HA2 GLY 4 HA2 GLY 4 12.069 4.410 6.302 26 HA3 GLY 4 HA3 GLY 4 11.985 2.686 5.954 27 H THR 5 H THR 5 11.299 3.057 8.381 28 HA THR 5 HA THR 5 13.691 2.672 10.087 29 HB THR 5 HB THR 5 12.310 3.486 11.974 30 HG1 THR 5 HG1 THR 5 10.255 3.549 11.633 31 HG21 THR 5 HG21 THR 5 12.387 5.840 11.356 32 HG22 THR 5 HG22 THR 5 12.407 5.418 9.643 33 HG23 THR 5 HG23 THR 5 13.785 5.013 10.668 34 H VAL 6 H VAL 6 11.974 0.710 8.538 35 HA VAL 6 HA VAL 6 11.318 -1.458 8.781 36 HB VAL 6 HB VAL 6 12.195 -1.268 11.685 37 HG11 VAL 6 HG11 VAL 6 12.544 -3.747 11.351 38 HG12 VAL 6 HG12 VAL 6 11.737 -3.586 9.790 39 HG13 VAL 6 HG13 VAL 6 10.859 -3.231 11.279 40 HG21 VAL 6 HG21 VAL 6 14.014 -0.644 10.027 41 HG22 VAL 6 HG22 VAL 6 13.814 -2.236 9.294 42 HG23 VAL 6 HG23 VAL 6 14.376 -2.098 10.960 43 H SER 7 H SER 7 9.274 -0.123 8.536 44 HA SER 7 HA SER 7 7.546 0.377 10.683 45 HB2 SER 7 HB2 SER 7 7.217 1.408 8.495 46 HB3 SER 7 HB3 SER 7 6.897 -0.169 7.781 47 HG SER 7 HG SER 7 5.426 0.938 9.944 48 H GLU 8 H GLU 8 7.941 -2.460 8.612 49 HA GLU 8 HA GLU 8 7.296 -4.633 8.847 50 HB2 GLU 8 HB2 GLU 8 7.966 -4.304 11.277 51 HB3 GLU 8 HB3 GLU 8 6.265 -3.967 11.620 52 HG2 GLU 8 HG2 GLU 8 6.671 -6.326 12.046 53 HG3 GLU 8 HG3 GLU 8 5.676 -6.182 10.600 54 HA PRO 9 HA PRO 9 2.984 -3.232 7.677 55 HB2 PRO 9 HB2 PRO 9 2.873 -4.515 5.298 56 HB3 PRO 9 HB3 PRO 9 3.671 -2.939 5.498 57 HG2 PRO 9 HG2 PRO 9 4.884 -5.665 5.413 58 HG3 PRO 9 HG3 PRO 9 5.396 -4.182 4.584 59 HD2 PRO 9 HD2 PRO 9 6.614 -5.016 6.842 60 HD3 PRO 9 HD3 PRO 9 6.386 -3.286 6.489 61 H THR 10 H THR 10 1.017 -4.419 7.408 62 HA THR 10 HA THR 10 1.148 -7.165 8.462 63 HB THR 10 HB THR 10 -1.120 -5.147 8.493 64 HG1 THR 10 HG1 THR 10 -0.439 -4.660 10.439 65 HG21 THR 10 HG21 THR 10 -1.981 -7.443 8.467 66 HG22 THR 10 HG22 THR 10 -2.178 -6.755 10.080 67 HG23 THR 10 HG23 THR 10 -0.870 -7.895 9.761 68 H THR 11 H THR 11 0.504 -8.818 7.218 69 HA THR 11 HA THR 11 -0.850 -8.225 4.654 70 HB THR 11 HB THR 11 1.075 -10.488 5.309 71 HG1 THR 11 HG1 THR 11 2.060 -8.440 5.123 72 HG21 THR 11 HG21 THR 11 0.831 -11.276 3.135 73 HG22 THR 11 HG22 THR 11 0.272 -9.725 2.519 74 HG23 THR 11 HG23 THR 11 -0.821 -10.748 3.450 75 H VAL 12 H VAL 12 -2.700 -9.076 4.205 76 HA VAL 12 HA VAL 12 -3.643 -11.408 5.736 77 HB VAL 12 HB VAL 12 -5.873 -10.383 5.870 78 HG11 VAL 12 HG11 VAL 12 -4.156 -10.226 7.694 79 HG12 VAL 12 HG12 VAL 12 -5.404 -8.979 7.737 80 HG13 VAL 12 HG13 VAL 12 -3.796 -8.598 7.115 81 HG21 VAL 12 HG21 VAL 12 -5.961 -7.839 5.576 82 HG22 VAL 12 HG22 VAL 12 -5.878 -8.775 4.086 83 HG23 VAL 12 HG23 VAL 12 -4.430 -7.987 4.710 84 H ALA 13 H ALA 13 -5.361 -12.592 4.695 85 HA ALA 13 HA ALA 13 -5.493 -12.181 1.772 86 HB1 ALA 13 HB1 ALA 13 -5.245 -14.485 1.364 87 HB2 ALA 13 HB2 ALA 13 -5.548 -14.907 3.048 88 HB3 ALA 13 HB3 ALA 13 -4.029 -14.136 2.593 89 H PHE 14 H PHE 14 -7.416 -12.764 0.753 90 HA PHE 14 HA PHE 14 -9.689 -13.500 2.459 91 HB2 PHE 14 HB2 PHE 14 -11.097 -11.714 1.548 92 HB3 PHE 14 HB3 PHE 14 -9.690 -11.030 2.355 93 HD1 PHE 14 HD1 PHE 14 -11.361 -11.582 -0.875 94 HD2 PHE 14 HD2 PHE 14 -7.856 -10.017 1.048 95 HE1 PHE 14 HE1 PHE 14 -10.752 -10.385 -2.961 96 HE2 PHE 14 HE2 PHE 14 -7.249 -8.819 -1.041 97 HZ PHE 14 HZ PHE 14 -8.691 -8.998 -3.040 98 H ASP 15 H ASP 15 -11.579 -14.223 1.267 99 HA ASP 15 HA ASP 15 -10.785 -15.611 -1.197 100 HB2 ASP 15 HB2 ASP 15 -13.150 -16.138 0.614 101 HB3 ASP 15 HB3 ASP 15 -12.627 -17.127 -0.750 102 H VAL 16 H VAL 16 -11.574 -15.061 -3.085 103 HA VAL 16 HA VAL 16 -13.818 -13.169 -3.261 104 HB VAL 16 HB VAL 16 -11.870 -14.145 -5.392 105 HG11 VAL 16 HG11 VAL 16 -12.791 -12.193 -6.686 106 HG12 VAL 16 HG12 VAL 16 -14.042 -12.029 -5.456 107 HG13 VAL 16 HG13 VAL 16 -13.955 -13.493 -6.435 108 HG21 VAL 16 HG21 VAL 16 -10.877 -12.694 -3.593 109 HG22 VAL 16 HG22 VAL 16 -12.042 -11.441 -4.017 110 HG23 VAL 16 HG23 VAL 16 -10.829 -11.951 -5.191 111 H ARG 17 H ARG 17 -15.711 -14.176 -3.245 112 HA ARG 17 HA ARG 17 -15.978 -16.759 -4.624 113 HB2 ARG 17 HB2 ARG 17 -17.629 -15.563 -2.390 114 HB3 ARG 17 HB3 ARG 17 -17.959 -17.112 -3.168 115 HG2 ARG 17 HG2 ARG 17 -15.820 -18.010 -2.453 116 HG3 ARG 17 HG3 ARG 17 -15.313 -16.437 -1.827 117 HD2 ARG 17 HD2 ARG 17 -16.054 -17.901 -0.003 118 HD3 ARG 17 HD3 ARG 17 -17.129 -16.514 -0.164 119 HE ARG 17 HE ARG 17 -18.840 -17.976 -0.830 120 HH11 ARG 17 HH11 ARG 17 -15.779 -19.702 -0.793 121 HH12 ARG 17 HH12 ARG 17 -16.514 -21.255 -1.009 122 HH21 ARG 17 HH21 ARG 17 -19.755 -20.021 -1.121 123 HH22 ARG 17 HH22 ARG 17 -18.751 -21.431 -1.192 124 HA PRO 18 HA PRO 18 -18.492 -14.264 -7.522 125 HB2 PRO 18 HB2 PRO 18 -18.890 -16.052 -9.437 126 HB3 PRO 18 HB3 PRO 18 -17.286 -15.339 -9.176 127 HG2 PRO 18 HG2 PRO 18 -18.325 -17.989 -8.257 128 HG3 PRO 18 HG3 PRO 18 -16.780 -17.613 -9.045 129 HD2 PRO 18 HD2 PRO 18 -16.986 -17.913 -6.347 130 HD3 PRO 18 HD3 PRO 18 -15.823 -16.783 -7.089 131 H GLY 19 H GLY 19 -20.622 -14.633 -8.726 132 HA2 GLY 19 HA2 GLY 19 -22.616 -16.284 -8.625 133 HA3 GLY 19 HA3 GLY 19 -22.548 -15.926 -6.901 134 H GLY 20 H GLY 20 -21.660 -13.200 -8.745 135 HA2 GLY 20 HA2 GLY 20 -22.712 -11.255 -9.359 136 HA3 GLY 20 HA3 GLY 20 -24.223 -12.156 -9.432 137 H VAL 21 H VAL 21 -22.298 -12.122 -6.517 138 HA VAL 21 HA VAL 21 -24.336 -10.433 -5.191 139 HB VAL 21 HB VAL 21 -22.602 -12.621 -3.990 140 HG11 VAL 21 HG11 VAL 21 -24.863 -11.023 -2.741 141 HG12 VAL 21 HG12 VAL 21 -23.149 -10.785 -2.400 142 HG13 VAL 21 HG13 VAL 21 -23.933 -12.300 -1.956 143 HG21 VAL 21 HG21 VAL 21 -24.686 -13.899 -3.792 144 HG22 VAL 21 HG22 VAL 21 -24.437 -13.451 -5.481 145 HG23 VAL 21 HG23 VAL 21 -25.599 -12.565 -4.495 146 H VAL 22 H VAL 22 -23.698 -8.592 -4.338 147 HA VAL 22 HA VAL 22 -20.987 -7.696 -4.631 148 HB VAL 22 HB VAL 22 -23.353 -6.391 -3.228 149 HG11 VAL 22 HG11 VAL 22 -21.294 -5.389 -2.423 150 HG12 VAL 22 HG12 VAL 22 -22.022 -4.278 -3.584 151 HG13 VAL 22 HG13 VAL 22 -20.652 -5.281 -4.063 152 HG21 VAL 22 HG21 VAL 22 -23.413 -5.009 -5.339 153 HG22 VAL 22 HG22 VAL 22 -23.819 -6.708 -5.590 154 HG23 VAL 22 HG23 VAL 22 -22.219 -6.110 -6.030 155 H HIS 23 H HIS 23 -19.398 -8.104 -3.310 156 HA HIS 23 HA HIS 23 -19.971 -8.641 -0.452 157 HB2 HIS 23 HB2 HIS 23 -17.717 -9.744 -2.146 158 HB3 HIS 23 HB3 HIS 23 -17.947 -10.041 -0.425 159 HD2 HIS 23 HD2 HIS 23 -18.934 -11.645 -3.710 160 HE1 HIS 23 HE1 HIS 23 -21.774 -13.033 -0.912 161 HE2 HIS 23 HE2 HIS 23 -20.845 -13.365 -3.252 162 H SER 24 H SER 24 -18.870 -7.565 1.043 163 HA SER 24 HA SER 24 -16.828 -5.619 0.141 164 HB2 SER 24 HB2 SER 24 -18.833 -5.365 2.391 165 HB3 SER 24 HB3 SER 24 -17.535 -4.220 2.062 166 HG SER 24 HG SER 24 -18.748 -3.409 0.549 167 H PHE 25 H PHE 25 -14.886 -5.813 0.984 168 HA PHE 25 HA PHE 25 -14.535 -7.295 3.519 169 HB2 PHE 25 HB2 PHE 25 -13.892 -8.705 1.551 170 HB3 PHE 25 HB3 PHE 25 -12.702 -7.479 1.105 171 HD1 PHE 25 HD1 PHE 25 -13.704 -9.843 3.808 172 HD2 PHE 25 HD2 PHE 25 -10.573 -7.380 2.198 173 HE1 PHE 25 HE1 PHE 25 -12.092 -10.854 5.399 174 HE2 PHE 25 HE2 PHE 25 -8.961 -8.391 3.789 175 HZ PHE 25 HZ PHE 25 -9.721 -10.129 5.389 176 H SER 26 H SER 26 -13.275 -6.304 4.989 177 HA SER 26 HA SER 26 -11.574 -4.054 4.137 178 HB2 SER 26 HB2 SER 26 -12.469 -2.624 5.865 179 HB3 SER 26 HB3 SER 26 -13.785 -3.202 4.847 180 HG SER 26 HG SER 26 -13.098 -3.889 7.479 181 H HIS 27 H HIS 27 -10.106 -3.318 5.857 182 HA HIS 27 HA HIS 27 -9.515 -5.259 7.958 183 HB2 HIS 27 HB2 HIS 27 -8.290 -6.026 5.908 184 HB3 HIS 27 HB3 HIS 27 -7.425 -4.489 5.903 185 HD2 HIS 27 HD2 HIS 27 -7.781 -7.597 8.374 186 HE1 HIS 27 HE1 HIS 27 -4.102 -5.651 9.109 187 HE2 HIS 27 HE2 HIS 27 -5.556 -7.645 9.738 188 H ASN 28 H ASN 28 -8.524 -4.397 9.701 189 HA ASN 28 HA ASN 28 -7.364 -1.726 9.624 190 HB2 ASN 28 HB2 ASN 28 -8.829 -0.869 11.405 191 HB3 ASN 28 HB3 ASN 28 -9.746 -1.257 9.950 192 HD21 ASN 28 HD21 ASN 28 -11.678 -1.452 11.411 193 HD22 ASN 28 HD22 ASN 28 -11.909 -2.876 12.306 194 H VAL 29 H VAL 29 -6.511 -1.108 11.834 195 HA VAL 29 HA VAL 29 -5.642 -3.519 13.328 196 HB VAL 29 HB VAL 29 -3.449 -2.415 13.686 197 HG11 VAL 29 HG11 VAL 29 -2.621 -2.734 11.359 198 HG12 VAL 29 HG12 VAL 29 -4.292 -2.792 10.798 199 HG13 VAL 29 HG13 VAL 29 -3.682 -4.040 11.886 200 HG21 VAL 29 HG21 VAL 29 -2.848 -0.384 12.616 201 HG22 VAL 29 HG22 VAL 29 -4.483 -0.066 13.190 202 HG23 VAL 29 HG23 VAL 29 -4.210 -0.456 11.497 203 H GLY 30 H GLY 30 -4.959 -3.117 15.560 204 HA2 GLY 30 HA2 GLY 30 -6.932 -1.952 17.082 205 HA3 GLY 30 HA3 GLY 30 -5.309 -2.283 17.683 206 HA PRO 31 HA PRO 31 -4.304 2.064 18.107 207 HB2 PRO 31 HB2 PRO 31 -2.159 1.823 16.038 208 HB3 PRO 31 HB3 PRO 31 -2.062 2.445 17.702 209 HG2 PRO 31 HG2 PRO 31 -1.068 0.088 17.156 210 HG3 PRO 31 HG3 PRO 31 -2.033 0.316 18.632 211 HD2 PRO 31 HD2 PRO 31 -2.866 -0.959 16.034 212 HD3 PRO 31 HD3 PRO 31 -3.203 -1.480 17.706 213 H GLY 32 H GLY 32 -4.111 0.968 14.750 214 HA2 GLY 32 HA2 GLY 32 -5.087 3.521 13.701 215 HA3 GLY 32 HA3 GLY 32 -4.479 2.167 12.752 216 H ASP 33 H ASP 33 -6.942 1.964 15.301 217 HA ASP 33 HA ASP 33 -8.703 0.375 13.788 218 HB2 ASP 33 HB2 ASP 33 -8.716 0.595 16.290 219 HB3 ASP 33 HB3 ASP 33 -9.469 2.176 16.101 220 H LYS 34 H LYS 34 -8.500 3.862 14.189 221 HA LYS 34 HA LYS 34 -10.930 4.578 12.940 222 HB2 LYS 34 HB2 LYS 34 -8.319 6.046 13.308 223 HB3 LYS 34 HB3 LYS 34 -9.718 6.787 12.529 224 HG2 LYS 34 HG2 LYS 34 -9.918 5.485 15.253 225 HG3 LYS 34 HG3 LYS 34 -9.392 7.158 15.071 226 HD2 LYS 34 HD2 LYS 34 -11.956 6.176 13.792 227 HD3 LYS 34 HD3 LYS 34 -11.903 6.731 15.463 228 HE2 LYS 34 HE2 LYS 34 -10.874 8.402 13.157 229 HE3 LYS 34 HE3 LYS 34 -12.529 8.507 13.753 230 HZ1 LYS 34 HZ1 LYS 34 -11.880 9.472 15.680 231 HZ2 LYS 34 HZ2 LYS 34 -10.605 10.017 14.699 232 HZ3 LYS 34 HZ3 LYS 34 -10.380 8.682 15.726 233 H TYR 35 H TYR 35 -7.703 3.871 11.668 234 HA TYR 35 HA TYR 35 -8.467 4.608 8.950 235 HB2 TYR 35 HB2 TYR 35 -5.907 3.472 10.097 236 HB3 TYR 35 HB3 TYR 35 -6.132 3.920 8.406 237 HD1 TYR 35 HD1 TYR 35 -5.730 5.160 11.837 238 HD2 TYR 35 HD2 TYR 35 -6.455 6.268 7.753 239 HE1 TYR 35 HE1 TYR 35 -5.217 7.523 12.387 240 HE2 TYR 35 HE2 TYR 35 -5.944 8.626 8.300 241 HH TYR 35 HH TYR 35 -6.082 9.985 10.908 242 H THR 36 H THR 36 -9.506 3.260 7.665 243 HA THR 36 HA THR 36 -8.911 0.371 7.793 244 HB THR 36 HB THR 36 -11.703 1.561 7.657 245 HG1 THR 36 HG1 THR 36 -11.812 1.164 9.730 246 HG21 THR 36 HG21 THR 36 -10.768 -1.323 7.816 247 HG22 THR 36 HG22 THR 36 -11.487 -0.549 6.402 248 HG23 THR 36 HG23 THR 36 -12.448 -0.782 7.863 249 H CYS 37 H CYS 37 -8.685 -0.604 5.839 250 HA CYS 37 HA CYS 37 -9.302 0.981 3.420 251 HB2 CYS 37 HB2 CYS 37 -7.496 -1.446 3.746 252 HB3 CYS 37 HB3 CYS 37 -7.857 -0.665 2.205 253 H MET 38 H MET 38 -10.896 0.380 2.096 254 HA MET 38 HA MET 38 -12.278 -2.170 2.652 255 HB2 MET 38 HB2 MET 38 -13.408 0.481 1.772 256 HB3 MET 38 HB3 MET 38 -14.332 -1.020 1.850 257 HG2 MET 38 HG2 MET 38 -13.805 -1.221 4.241 258 HG3 MET 38 HG3 MET 38 -12.901 0.290 4.173 259 HE1 MET 38 HE1 MET 38 -14.389 0.759 6.234 260 HE2 MET 38 HE2 MET 38 -15.592 -0.516 6.065 261 HE3 MET 38 HE3 MET 38 -16.113 1.161 6.190 262 H PHE 39 H PHE 39 -13.063 -3.369 1.016 263 HA PHE 39 HA PHE 39 -12.510 -2.530 -1.740 264 HB2 PHE 39 HB2 PHE 39 -10.593 -3.918 -0.995 265 HB3 PHE 39 HB3 PHE 39 -11.703 -5.224 -0.589 266 HD1 PHE 39 HD1 PHE 39 -10.843 -2.968 -3.475 267 HD2 PHE 39 HD2 PHE 39 -12.104 -6.879 -2.217 268 HE1 PHE 39 HE1 PHE 39 -10.745 -3.762 -5.825 269 HE2 PHE 39 HE2 PHE 39 -12.001 -7.666 -4.565 270 HZ PHE 39 HZ PHE 39 -11.324 -6.106 -6.367 271 H THR 40 H THR 40 -14.485 -2.487 -2.616 272 HA THR 40 HA THR 40 -16.423 -4.641 -1.980 273 HB THR 40 HB THR 40 -16.940 -1.863 -3.121 274 HG1 THR 40 HG1 THR 40 -17.220 -1.282 -1.121 275 HG21 THR 40 HG21 THR 40 -18.614 -3.511 -3.863 276 HG22 THR 40 HG22 THR 40 -19.319 -2.408 -2.681 277 HG23 THR 40 HG23 THR 40 -18.850 -4.037 -2.196 278 H TYR 41 H TYR 41 -16.986 -6.055 -3.557 279 HA TYR 41 HA TYR 41 -16.569 -5.357 -6.374 280 HB2 TYR 41 HB2 TYR 41 -15.160 -7.335 -6.790 281 HB3 TYR 41 HB3 TYR 41 -14.393 -6.219 -5.663 282 HD1 TYR 41 HD1 TYR 41 -16.014 -9.510 -6.036 283 HD2 TYR 41 HD2 TYR 41 -14.200 -6.769 -3.270 284 HE1 TYR 41 HE1 TYR 41 -15.873 -11.314 -4.339 285 HE2 TYR 41 HE2 TYR 41 -14.055 -8.572 -1.575 286 HH TYR 41 HH TYR 41 -14.969 -11.913 -2.329 287 H ALA 42 H ALA 42 -17.374 -6.909 -7.884 288 HA ALA 42 HA ALA 42 -19.283 -8.904 -6.862 289 HB1 ALA 42 HB1 ALA 42 -20.889 -8.267 -8.629 290 HB2 ALA 42 HB2 ALA 42 -19.834 -6.938 -9.111 291 HB3 ALA 42 HB3 ALA 42 -20.603 -6.923 -7.524 292 H SER 43 H SER 43 -19.058 -10.867 -7.894 293 HA SER 43 HA SER 43 -17.497 -10.906 -10.398 294 HB2 SER 43 HB2 SER 43 -17.006 -12.667 -7.997 295 HB3 SER 43 HB3 SER 43 -16.199 -12.791 -9.560 296 HG SER 43 HG SER 43 -15.462 -11.328 -7.559 297 H GLN 44 H GLN 44 -17.632 -12.777 -11.647 298 HA GLN 44 HA GLN 44 -19.937 -14.536 -11.137 299 HB2 GLN 44 HB2 GLN 44 -20.654 -12.892 -12.808 300 HB3 GLN 44 HB3 GLN 44 -19.223 -13.208 -13.783 301 HG2 GLN 44 HG2 GLN 44 -19.945 -15.406 -14.326 302 HG3 GLN 44 HG3 GLN 44 -21.204 -15.376 -13.097 303 HE21 GLN 44 HE21 GLN 44 -20.362 -14.348 -16.356 304 HE22 GLN 44 HE22 GLN 44 -21.884 -13.713 -16.754 305 H GLY 45 H GLY 45 -19.450 -16.636 -11.282 306 HA2 GLY 45 HA2 GLY 45 -17.831 -17.955 -13.086 307 HA3 GLY 45 HA3 GLY 45 -16.786 -17.531 -11.727 308 H GLY 46 H GLY 46 -16.961 -20.114 -12.034 309 HA2 GLY 46 HA2 GLY 46 -19.129 -21.108 -10.292 310 HA3 GLY 46 HA3 GLY 46 -18.219 -22.086 -11.438 311 H THR 47 H THR 47 -16.102 -20.015 -9.782 312 HA THR 47 HA THR 47 -15.715 -21.750 -7.471 313 HB THR 47 HB THR 47 -14.474 -22.922 -9.221 314 HG1 THR 47 HG1 THR 47 -12.540 -23.002 -8.100 315 HG21 THR 47 HG21 THR 47 -12.668 -20.515 -9.471 316 HG22 THR 47 HG22 THR 47 -14.047 -20.744 -10.544 317 HG23 THR 47 HG23 THR 47 -12.751 -21.938 -10.510 318 H ASN 48 H ASN 48 -14.277 -20.926 -5.881 319 HA ASN 48 HA ASN 48 -14.198 -18.036 -5.838 320 HB2 ASN 48 HB2 ASN 48 -13.468 -18.291 -3.516 321 HB3 ASN 48 HB3 ASN 48 -14.891 -19.283 -3.834 322 HD21 ASN 48 HD21 ASN 48 -14.074 -20.536 -1.862 323 HD22 ASN 48 HD22 ASN 48 -12.891 -21.729 -2.103 324 H GLU 49 H GLU 49 -12.074 -17.141 -4.684 325 HA GLU 49 HA GLU 49 -9.644 -18.323 -5.789 326 HB2 GLU 49 HB2 GLU 49 -10.525 -16.810 -7.557 327 HB3 GLU 49 HB3 GLU 49 -10.473 -15.478 -6.402 328 HG2 GLU 49 HG2 GLU 49 -8.477 -15.436 -7.820 329 HG3 GLU 49 HG3 GLU 49 -8.023 -15.795 -6.157 330 H GLN 50 H GLN 50 -7.758 -17.571 -4.792 331 HA GLN 50 HA GLN 50 -8.205 -16.254 -2.189 332 HB2 GLN 50 HB2 GLN 50 -5.973 -18.063 -3.132 333 HB3 GLN 50 HB3 GLN 50 -5.998 -17.248 -1.566 334 HG2 GLN 50 HG2 GLN 50 -8.133 -18.356 -1.020 335 HG3 GLN 50 HG3 GLN 50 -8.099 -19.186 -2.577 336 HE21 GLN 50 HE21 GLN 50 -7.744 -21.346 -1.904 337 HE22 GLN 50 HE22 GLN 50 -6.402 -21.834 -0.985 338 H TRP 51 H TRP 51 -7.469 -14.291 -1.852 339 HA TRP 51 HA TRP 51 -5.407 -13.183 -3.658 340 HB2 TRP 51 HB2 TRP 51 -7.894 -11.877 -2.568 341 HB3 TRP 51 HB3 TRP 51 -6.574 -10.971 -3.304 342 HD1 TRP 51 HD1 TRP 51 -8.938 -13.912 -4.215 343 HE1 TRP 51 HE1 TRP 51 -9.394 -13.805 -6.756 344 HE3 TRP 51 HE3 TRP 51 -5.950 -9.965 -5.495 345 HZ2 TRP 51 HZ2 TRP 51 -8.594 -12.246 -9.037 346 HZ3 TRP 51 HZ3 TRP 51 -5.818 -9.192 -7.849 347 HH2 TRP 51 HH2 TRP 51 -7.136 -10.327 -9.619 348 H GLN 52 H GLN 52 -3.862 -11.867 -2.808 349 HA GLN 52 HA GLN 52 -3.609 -11.931 0.135 350 HB2 GLN 52 HB2 GLN 52 -1.456 -11.455 -1.960 351 HB3 GLN 52 HB3 GLN 52 -1.209 -11.566 -0.223 352 HG2 GLN 52 HG2 GLN 52 -2.334 -13.799 -1.946 353 HG3 GLN 52 HG3 GLN 52 -0.676 -13.714 -1.361 354 HE21 GLN 52 HE21 GLN 52 -3.589 -15.168 -0.670 355 HE22 GLN 52 HE22 GLN 52 -3.401 -15.385 1.002 356 H MET 53 H MET 53 -3.025 -10.110 1.274 357 HA MET 53 HA MET 53 -3.231 -7.516 -0.114 358 HB2 MET 53 HB2 MET 53 -4.556 -8.283 2.495 359 HB3 MET 53 HB3 MET 53 -4.506 -6.652 1.825 360 HG2 MET 53 HG2 MET 53 -5.701 -7.456 -0.186 361 HG3 MET 53 HG3 MET 53 -5.767 -9.071 0.507 362 HE1 MET 53 HE1 MET 53 -6.115 -5.489 1.165 363 HE2 MET 53 HE2 MET 53 -7.242 -5.321 2.502 364 HE3 MET 53 HE3 MET 53 -7.855 -5.393 0.857 365 H SER 54 H SER 54 -1.946 -5.904 0.687 366 HA SER 54 HA SER 54 -0.356 -6.428 3.091 367 HB2 SER 54 HB2 SER 54 1.077 -7.227 1.304 368 HB3 SER 54 HB3 SER 54 0.840 -5.734 0.403 369 HG SER 54 HG SER 54 1.955 -4.638 1.980 370 H LEU 55 H LEU 55 -0.188 -4.688 4.335 371 HA LEU 55 HA LEU 55 -0.463 -2.021 3.127 372 HB2 LEU 55 HB2 LEU 55 -2.052 -1.295 4.827 373 HB3 LEU 55 HB3 LEU 55 -2.689 -2.680 3.950 374 HG LEU 55 HG LEU 55 -1.496 -4.040 5.977 375 HD11 LEU 55 HD11 LEU 55 -2.039 -2.661 8.108 376 HD12 LEU 55 HD12 LEU 55 -2.007 -1.258 7.042 377 HD13 LEU 55 HD13 LEU 55 -0.567 -2.251 7.233 378 HD21 LEU 55 HD21 LEU 55 -4.206 -2.671 5.984 379 HD22 LEU 55 HD22 LEU 55 -3.741 -3.841 7.219 380 HD23 LEU 55 HD23 LEU 55 -3.838 -4.336 5.530 381 H GLY 56 H GLY 56 0.597 -0.369 4.178 382 HA2 GLY 56 HA2 GLY 56 2.149 -1.023 6.587 383 HA3 GLY 56 HA3 GLY 56 3.013 -0.472 5.151 384 H THR 57 H THR 57 2.861 0.801 7.746 385 HA THR 57 HA THR 57 1.672 3.385 6.936 386 HB THR 57 HB THR 57 0.931 3.768 9.241 387 HG1 THR 57 HG1 THR 57 1.955 1.155 9.615 388 HG21 THR 57 HG21 THR 57 -0.558 2.602 7.562 389 HG22 THR 57 HG22 THR 57 -0.951 2.267 9.248 390 HG23 THR 57 HG23 THR 57 -0.073 1.072 8.293 391 H SER 58 H SER 58 2.567 5.237 7.990 392 HA SER 58 HA SER 58 5.415 5.238 8.103 393 HB2 SER 58 HB2 SER 58 4.223 7.231 7.390 394 HB3 SER 58 HB3 SER 58 3.394 7.329 8.941 395 HG SER 58 HG SER 58 5.456 8.606 8.492 396 H GLU 59 H GLU 59 6.738 5.863 9.947 397 HA GLU 59 HA GLU 59 6.329 4.264 12.210 398 HB2 GLU 59 HB2 GLU 59 8.205 5.493 13.226 399 HB3 GLU 59 HB3 GLU 59 8.553 5.086 11.547 400 HG2 GLU 59 HG2 GLU 59 7.845 7.382 10.866 401 HG3 GLU 59 HG3 GLU 59 7.570 7.781 12.561 402 H ASP 60 H ASP 60 5.282 7.534 11.548 403 HA ASP 60 HA ASP 60 4.286 7.899 14.287 404 HB2 ASP 60 HB2 ASP 60 4.430 9.772 11.916 405 HB3 ASP 60 HB3 ASP 60 3.642 10.188 13.436 406 H HIS 61 H HIS 61 3.201 6.349 11.597 407 HA HIS 61 HA HIS 61 1.187 5.606 10.848 408 HB2 HIS 61 HB2 HIS 61 0.266 6.632 13.542 409 HB3 HIS 61 HB3 HIS 61 -0.723 5.654 12.452 410 HD2 HIS 61 HD2 HIS 61 2.790 5.214 14.293 411 HE1 HIS 61 HE1 HIS 61 1.085 1.407 13.634 412 HE2 HIS 61 HE2 HIS 61 3.045 2.644 14.673 413 H GLN 62 H GLN 62 2.081 8.369 10.310 414 HA GLN 62 HA GLN 62 -0.360 9.917 10.062 415 HB2 GLN 62 HB2 GLN 62 1.083 11.636 9.020 416 HB3 GLN 62 HB3 GLN 62 1.699 11.117 10.590 417 HG2 GLN 62 HG2 GLN 62 3.288 9.613 9.485 418 HG3 GLN 62 HG3 GLN 62 2.650 10.098 7.918 419 HE21 GLN 62 HE21 GLN 62 5.359 10.539 9.511 420 HE22 GLN 62 HE22 GLN 62 5.665 12.187 9.250 421 H HIS 63 H HIS 63 1.528 7.751 8.089 422 HA HIS 63 HA HIS 63 -0.217 8.334 5.768 423 HB2 HIS 63 HB2 HIS 63 2.628 7.311 5.832 424 HB3 HIS 63 HB3 HIS 63 1.603 7.207 4.400 425 HD2 HIS 63 HD2 HIS 63 3.843 9.793 6.178 426 HE1 HIS 63 HE1 HIS 63 1.680 11.874 3.214 427 HE2 HIS 63 HE2 HIS 63 3.620 12.025 4.844 428 H PHE 64 H PHE 64 -1.394 6.708 4.890 429 HA PHE 64 HA PHE 64 -0.985 3.968 5.930 430 HB2 PHE 64 HB2 PHE 64 -3.632 5.368 5.468 431 HB3 PHE 64 HB3 PHE 64 -3.450 3.656 5.860 432 HD1 PHE 64 HD1 PHE 64 -3.202 7.096 7.138 433 HD2 PHE 64 HD2 PHE 64 -2.665 2.939 8.066 434 HE1 PHE 64 HE1 PHE 64 -3.067 7.649 9.552 435 HE2 PHE 64 HE2 PHE 64 -2.531 3.494 10.478 436 HZ PHE 64 HZ PHE 64 -2.730 5.849 11.219 437 H THR 65 H THR 65 -0.669 2.489 4.403 438 HA THR 65 HA THR 65 -1.684 3.027 1.670 439 HB THR 65 HB THR 65 0.338 1.928 0.774 440 HG1 THR 65 HG1 THR 65 1.652 0.944 2.070 441 HG21 THR 65 HG21 THR 65 1.800 3.773 1.041 442 HG22 THR 65 HG22 THR 65 1.207 4.110 2.668 443 HG23 THR 65 HG23 THR 65 0.188 4.447 1.273 444 H CYS 66 H CYS 66 -2.671 1.376 0.620 445 HA CYS 66 HA CYS 66 -2.561 -1.323 1.806 446 HB2 CYS 66 HB2 CYS 66 -5.079 0.159 1.015 447 HB3 CYS 66 HB3 CYS 66 -5.008 -1.583 1.304 448 H THR 67 H THR 67 -2.233 -2.916 0.375 449 HA THR 67 HA THR 67 -2.672 -2.363 -2.502 450 HB THR 67 HB THR 67 -0.312 -3.834 -1.292 451 HG1 THR 67 HG1 THR 67 0.815 -2.021 -1.716 452 HG21 THR 67 HG21 THR 67 0.514 -4.119 -3.481 453 HG22 THR 67 HG22 THR 67 -0.578 -2.907 -4.149 454 HG23 THR 67 HG23 THR 67 -1.204 -4.479 -3.658 455 H ILE 68 H ILE 68 -3.762 -3.893 -3.597 456 HA ILE 68 HA ILE 68 -4.186 -6.538 -2.313 457 HB ILE 68 HB ILE 68 -6.211 -4.938 -3.930 458 HG12 ILE 68 HG12 ILE 68 -6.316 -5.656 -0.977 459 HG13 ILE 68 HG13 ILE 68 -5.661 -4.123 -1.551 460 HG21 ILE 68 HG21 ILE 68 -6.385 -7.619 -2.503 461 HG22 ILE 68 HG22 ILE 68 -6.548 -7.336 -4.236 462 HG23 ILE 68 HG23 ILE 68 -7.786 -6.745 -3.126 463 HD11 ILE 68 HD11 ILE 68 -7.838 -3.668 -2.693 464 HD12 ILE 68 HD12 ILE 68 -8.019 -3.832 -0.946 465 HD13 ILE 68 HD13 ILE 68 -8.480 -5.162 -2.009 466 H TRP 69 H TRP 69 -3.532 -8.236 -3.540 467 HA TRP 69 HA TRP 69 -3.954 -8.263 -6.403 468 HB2 TRP 69 HB2 TRP 69 -1.669 -8.612 -7.127 469 HB3 TRP 69 HB3 TRP 69 -1.705 -7.126 -6.188 470 HD1 TRP 69 HD1 TRP 69 -0.188 -10.554 -6.289 471 HE1 TRP 69 HE1 TRP 69 1.405 -10.871 -4.289 472 HE3 TRP 69 HE3 TRP 69 -1.373 -6.417 -3.596 473 HZ2 TRP 69 HZ2 TRP 69 2.082 -9.540 -1.862 474 HZ3 TRP 69 HZ3 TRP 69 -0.239 -5.954 -1.425 475 HH2 TRP 69 HH2 TRP 69 1.489 -7.528 -0.568 476 H ARG 70 H ARG 70 -3.362 -10.427 -7.377 477 HA ARG 70 HA ARG 70 -4.166 -12.512 -5.513 478 HB2 ARG 70 HB2 ARG 70 -4.588 -13.889 -7.437 479 HB3 ARG 70 HB3 ARG 70 -5.152 -12.277 -7.858 480 HG2 ARG 70 HG2 ARG 70 -2.863 -11.905 -8.937 481 HG3 ARG 70 HG3 ARG 70 -2.613 -13.639 -8.683 482 HD2 ARG 70 HD2 ARG 70 -3.437 -13.351 -10.931 483 HD3 ARG 70 HD3 ARG 70 -4.746 -14.035 -9.971 484 HE ARG 70 HE ARG 70 -5.926 -12.029 -10.235 485 HH11 ARG 70 HH11 ARG 70 -2.612 -11.599 -11.327 486 HH12 ARG 70 HH12 ARG 70 -2.902 -10.026 -11.990 487 HH21 ARG 70 HH21 ARG 70 -6.245 -9.937 -11.081 488 HH22 ARG 70 HH22 ARG 70 -4.942 -9.096 -11.850 489 HA PRO 71 HA PRO 71 -0.004 -14.076 -4.813 490 HB2 PRO 71 HB2 PRO 71 -0.456 -16.589 -4.026 491 HB3 PRO 71 HB3 PRO 71 -1.026 -15.200 -3.068 492 HG2 PRO 71 HG2 PRO 71 -2.552 -16.840 -5.056 493 HG3 PRO 71 HG3 PRO 71 -3.005 -16.421 -3.383 494 HD2 PRO 71 HD2 PRO 71 -3.949 -15.069 -5.513 495 HD3 PRO 71 HD3 PRO 71 -3.583 -14.244 -3.978 496 H GLN 72 H GLN 72 -2.055 -16.247 -6.762 497 HA GLN 72 HA GLN 72 -0.022 -17.902 -7.792 498 HB2 GLN 72 HB2 GLN 72 -2.809 -17.285 -8.763 499 HB3 GLN 72 HB3 GLN 72 -1.770 -18.496 -9.522 500 HG2 GLN 72 HG2 GLN 72 -1.636 -19.767 -7.474 501 HG3 GLN 72 HG3 GLN 72 -2.456 -18.494 -6.569 502 HE21 GLN 72 HE21 GLN 72 -3.297 -21.366 -7.002 503 HE22 GLN 72 HE22 GLN 72 -4.844 -21.274 -7.695 504 H GLY 73 H GLY 73 -1.438 -14.966 -8.981 505 HA2 GLY 73 HA2 GLY 73 -0.220 -13.398 -10.361 506 HA3 GLY 73 HA3 GLY 73 0.631 -14.767 -11.078 507 H LYS 74 H LYS 74 -2.126 -16.213 -11.101 508 HA LYS 74 HA LYS 74 -3.511 -14.702 -13.178 509 HB2 LYS 74 HB2 LYS 74 -3.718 -16.803 -14.581 510 HB3 LYS 74 HB3 LYS 74 -2.134 -16.033 -14.591 511 HG2 LYS 74 HG2 LYS 74 -1.259 -17.685 -13.036 512 HG3 LYS 74 HG3 LYS 74 -2.863 -18.377 -12.788 513 HD2 LYS 74 HD2 LYS 74 -1.779 -19.835 -14.334 514 HD3 LYS 74 HD3 LYS 74 -2.888 -18.864 -15.302 515 HE2 LYS 74 HE2 LYS 74 -1.048 -17.369 -15.954 516 HE3 LYS 74 HE3 LYS 74 0.075 -18.292 -14.949 517 HZ1 LYS 74 HZ1 LYS 74 0.289 -19.054 -17.176 518 HZ2 LYS 74 HZ2 LYS 74 -1.391 -19.240 -17.348 519 HZ3 LYS 74 HZ3 LYS 74 -0.520 -20.268 -16.312 520 H SER 75 H SER 75 -5.571 -14.620 -12.725 521 HA SER 75 HA SER 75 -6.861 -16.906 -11.350 522 HB2 SER 75 HB2 SER 75 -7.380 -13.943 -11.073 523 HB3 SER 75 HB3 SER 75 -8.529 -15.155 -10.520 524 HG SER 75 HG SER 75 -6.897 -14.348 -8.968 525 H TYR 76 H TYR 76 -8.794 -17.692 -12.206 526 HA TYR 76 HA TYR 76 -9.657 -16.432 -14.756 527 HB2 TYR 76 HB2 TYR 76 -9.704 -19.362 -13.977 528 HB3 TYR 76 HB3 TYR 76 -10.377 -18.703 -15.471 529 HD1 TYR 76 HD1 TYR 76 -7.303 -19.484 -13.616 530 HD2 TYR 76 HD2 TYR 76 -8.909 -17.792 -17.223 531 HE1 TYR 76 HE1 TYR 76 -5.057 -19.581 -14.659 532 HE2 TYR 76 HE2 TYR 76 -6.662 -17.888 -18.268 533 HH TYR 76 HH TYR 76 -4.397 -18.087 -17.759 534 H LEU 77 H LEU 77 -11.157 -15.099 -13.721 535 HA LEU 77 HA LEU 77 -13.712 -16.412 -13.211 536 HB2 LEU 77 HB2 LEU 77 -12.403 -14.470 -11.299 537 HB3 LEU 77 HB3 LEU 77 -14.137 -14.803 -11.283 538 HG LEU 77 HG LEU 77 -12.068 -17.011 -11.084 539 HD11 LEU 77 HD11 LEU 77 -12.499 -16.958 -8.631 540 HD12 LEU 77 HD12 LEU 77 -13.444 -15.485 -8.849 541 HD13 LEU 77 HD13 LEU 77 -11.715 -15.484 -9.198 542 HD21 LEU 77 HD21 LEU 77 -14.537 -17.484 -11.704 543 HD22 LEU 77 HD22 LEU 77 -14.936 -16.937 -10.082 544 HD23 LEU 77 HD23 LEU 77 -13.903 -18.344 -10.308 545 H TYR 78 H TYR 78 -15.550 -15.105 -13.720 546 HA TYR 78 HA TYR 78 -14.879 -12.872 -15.496 547 HB2 TYR 78 HB2 TYR 78 -16.457 -14.712 -16.196 548 HB3 TYR 78 HB3 TYR 78 -17.600 -14.101 -14.996 549 HD1 TYR 78 HD1 TYR 78 -15.754 -13.282 -18.104 550 HD2 TYR 78 HD2 TYR 78 -18.832 -12.064 -15.370 551 HE1 TYR 78 HE1 TYR 78 -16.504 -11.555 -19.719 552 HE2 TYR 78 HE2 TYR 78 -19.584 -10.336 -16.984 553 HH TYR 78 HH TYR 78 -19.308 -10.192 -19.782 554 H PHE 79 H PHE 79 -14.313 -11.302 -13.989 555 HA PHE 79 HA PHE 79 -15.968 -10.598 -11.760 556 HB2 PHE 79 HB2 PHE 79 -13.663 -9.210 -13.120 557 HB3 PHE 79 HB3 PHE 79 -14.512 -8.512 -11.742 558 HD1 PHE 79 HD1 PHE 79 -12.386 -11.302 -12.892 559 HD2 PHE 79 HD2 PHE 79 -14.263 -9.425 -9.519 560 HE1 PHE 79 HE1 PHE 79 -11.003 -12.671 -11.358 561 HE2 PHE 79 HE2 PHE 79 -12.884 -10.790 -7.988 562 HZ PHE 79 HZ PHE 79 -11.249 -12.417 -8.904 563 H THR 80 H THR 80 -17.637 -9.249 -11.650 564 HA THR 80 HA THR 80 -18.705 -8.047 -14.036 565 HB THR 80 HB THR 80 -19.552 -7.723 -11.137 566 HG1 THR 80 HG1 THR 80 -20.207 -9.687 -11.459 567 HG21 THR 80 HG21 THR 80 -21.741 -7.056 -12.193 568 HG22 THR 80 HG22 THR 80 -20.913 -7.011 -13.751 569 HG23 THR 80 HG23 THR 80 -20.434 -5.902 -12.466 570 H GLN 81 H GLN 81 -17.089 -6.952 -11.086 571 HA GLN 81 HA GLN 81 -15.666 -4.864 -12.247 572 HB2 GLN 81 HB2 GLN 81 -16.858 -2.866 -11.336 573 HB3 GLN 81 HB3 GLN 81 -17.757 -3.671 -12.623 574 HG2 GLN 81 HG2 GLN 81 -19.055 -4.901 -10.835 575 HG3 GLN 81 HG3 GLN 81 -18.238 -3.897 -9.634 576 HE21 GLN 81 HE21 GLN 81 -19.721 -2.341 -8.961 577 HE22 GLN 81 HE22 GLN 81 -20.714 -1.435 -9.997 578 H PHE 82 H PHE 82 -14.715 -3.374 -10.561 579 HA PHE 82 HA PHE 82 -14.850 -4.453 -7.857 580 HB2 PHE 82 HB2 PHE 82 -12.413 -4.646 -7.677 581 HB3 PHE 82 HB3 PHE 82 -13.125 -5.758 -8.842 582 HD1 PHE 82 HD1 PHE 82 -11.067 -2.721 -8.431 583 HD2 PHE 82 HD2 PHE 82 -12.717 -5.526 -11.235 584 HE1 PHE 82 HE1 PHE 82 -9.583 -1.824 -10.206 585 HE2 PHE 82 HE2 PHE 82 -11.234 -4.628 -13.008 586 HZ PHE 82 HZ PHE 82 -9.671 -2.782 -12.493 587 H LYS 83 H LYS 83 -14.113 -3.102 -6.240 588 HA LYS 83 HA LYS 83 -13.321 -0.387 -7.013 589 HB2 LYS 83 HB2 LYS 83 -15.726 -0.949 -5.260 590 HB3 LYS 83 HB3 LYS 83 -15.129 0.635 -5.765 591 HG2 LYS 83 HG2 LYS 83 -15.473 -0.185 -8.188 592 HG3 LYS 83 HG3 LYS 83 -16.336 -1.532 -7.483 593 HD2 LYS 83 HD2 LYS 83 -17.917 -0.054 -6.356 594 HD3 LYS 83 HD3 LYS 83 -17.095 1.359 -7.021 595 HE2 LYS 83 HE2 LYS 83 -17.581 0.592 -9.294 596 HE3 LYS 83 HE3 LYS 83 -18.399 -0.836 -8.658 597 HZ1 LYS 83 HZ1 LYS 83 -19.241 1.982 -8.585 598 HZ2 LYS 83 HZ2 LYS 83 -19.749 0.938 -7.341 599 HZ3 LYS 83 HZ3 LYS 83 -20.147 0.597 -8.959 600 H ALA 84 H ALA 84 -12.429 0.855 -5.302 601 HA ALA 84 HA ALA 84 -11.979 -0.498 -2.744 602 HB1 ALA 84 HB1 ALA 84 -9.868 0.185 -4.743 603 HB2 ALA 84 HB2 ALA 84 -9.983 -1.200 -3.657 604 HB3 ALA 84 HB3 ALA 84 -9.499 0.375 -3.028 605 H GLU 85 H GLU 85 -11.663 0.876 -1.023 606 HA GLU 85 HA GLU 85 -11.280 3.719 -1.434 607 HB2 GLU 85 HB2 GLU 85 -13.393 4.387 -0.341 608 HB3 GLU 85 HB3 GLU 85 -13.687 3.505 -1.843 609 HG2 GLU 85 HG2 GLU 85 -14.054 1.417 -0.531 610 HG3 GLU 85 HG3 GLU 85 -13.827 2.345 0.958 611 H VAL 86 H VAL 86 -11.350 4.895 0.760 612 HA VAL 86 HA VAL 86 -10.430 3.089 2.920 613 HB VAL 86 HB VAL 86 -8.702 4.739 3.535 614 HG11 VAL 86 HG11 VAL 86 -8.496 3.825 0.649 615 HG12 VAL 86 HG12 VAL 86 -8.201 2.794 2.050 616 HG13 VAL 86 HG13 VAL 86 -7.149 4.174 1.734 617 HG21 VAL 86 HG21 VAL 86 -9.707 6.755 2.545 618 HG22 VAL 86 HG22 VAL 86 -9.523 6.075 0.928 619 HG23 VAL 86 HG23 VAL 86 -8.096 6.502 1.873 620 H ARG 87 H ARG 87 -10.465 4.023 5.083 621 HA ARG 87 HA ARG 87 -12.515 6.132 5.401 622 HB2 ARG 87 HB2 ARG 87 -12.264 3.616 7.070 623 HB3 ARG 87 HB3 ARG 87 -13.433 4.909 7.324 624 HG2 ARG 87 HG2 ARG 87 -13.261 3.284 4.762 625 HG3 ARG 87 HG3 ARG 87 -14.351 2.900 6.090 626 HD2 ARG 87 HD2 ARG 87 -14.320 5.512 4.557 627 HD3 ARG 87 HD3 ARG 87 -15.488 4.214 4.330 628 HE ARG 87 HE ARG 87 -15.416 6.121 6.526 629 HH11 ARG 87 HH11 ARG 87 -16.599 2.987 5.462 630 HH12 ARG 87 HH12 ARG 87 -17.908 2.960 6.596 631 HH21 ARG 87 HH21 ARG 87 -17.148 6.051 7.981 632 HH22 ARG 87 HH22 ARG 87 -18.215 4.687 8.012 633 H GLY 88 H GLY 88 -12.227 7.579 7.040 634 HA2 GLY 88 HA2 GLY 88 -11.274 8.613 8.887 635 HA3 GLY 88 HA3 GLY 88 -10.234 7.209 9.098 636 H ALA 89 H ALA 89 -9.911 8.149 5.914 637 HA ALA 89 HA ALA 89 -7.994 10.295 6.296 638 HB1 ALA 89 HB1 ALA 89 -7.006 7.775 6.612 639 HB2 ALA 89 HB2 ALA 89 -6.059 9.152 6.057 640 HB3 ALA 89 HB3 ALA 89 -6.741 8.024 4.888 641 H GLU 90 H GLU 90 -7.026 11.002 4.225 642 HA GLU 90 HA GLU 90 -8.928 10.611 2.000 643 HB2 GLU 90 HB2 GLU 90 -8.070 12.770 1.129 644 HB3 GLU 90 HB3 GLU 90 -8.747 12.942 2.745 645 HG2 GLU 90 HG2 GLU 90 -6.456 12.798 3.707 646 HG3 GLU 90 HG3 GLU 90 -5.794 12.680 2.076 647 H ILE 91 H ILE 91 -8.210 10.080 -0.049 648 HA ILE 91 HA ILE 91 -5.623 8.734 -0.138 649 HB ILE 91 HB ILE 91 -7.836 8.854 -2.228 650 HG12 ILE 91 HG12 ILE 91 -7.119 6.570 -0.346 651 HG13 ILE 91 HG13 ILE 91 -8.377 7.753 0.022 652 HG21 ILE 91 HG21 ILE 91 -6.645 6.834 -3.154 653 HG22 ILE 91 HG22 ILE 91 -5.349 7.105 -1.988 654 HG23 ILE 91 HG23 ILE 91 -5.669 8.302 -3.244 655 HD11 ILE 91 HD11 ILE 91 -8.390 6.204 -2.574 656 HD12 ILE 91 HD12 ILE 91 -9.726 7.059 -1.805 657 HD13 ILE 91 HD13 ILE 91 -9.129 5.551 -1.112 658 H GLU 92 H GLU 92 -3.842 9.678 -0.837 659 HA GLU 92 HA GLU 92 -3.935 12.176 -2.323 660 HB2 GLU 92 HB2 GLU 92 -1.597 10.510 -1.373 661 HB3 GLU 92 HB3 GLU 92 -1.468 12.081 -2.167 662 HG2 GLU 92 HG2 GLU 92 -2.845 13.076 -0.342 663 HG3 GLU 92 HG3 GLU 92 -2.847 11.507 0.467 664 H TYR 93 H TYR 93 -3.039 8.795 -2.848 665 HA TYR 93 HA TYR 93 -3.241 9.168 -5.732 666 HB2 TYR 93 HB2 TYR 93 -0.863 9.665 -5.095 667 HB3 TYR 93 HB3 TYR 93 -0.730 8.005 -4.512 668 HD1 TYR 93 HD1 TYR 93 -1.491 10.074 -7.518 669 HD2 TYR 93 HD2 TYR 93 -0.367 6.204 -6.032 670 HE1 TYR 93 HE1 TYR 93 -1.041 9.316 -9.834 671 HE2 TYR 93 HE2 TYR 93 0.082 5.447 -8.344 672 HH TYR 93 HH TYR 93 0.749 6.914 -10.663 673 H ALA 94 H ALA 94 -4.195 7.457 -6.637 674 HA ALA 94 HA ALA 94 -3.909 4.782 -5.486 675 HB1 ALA 94 HB1 ALA 94 -5.883 5.265 -4.364 676 HB2 ALA 94 HB2 ALA 94 -6.501 4.583 -5.867 677 HB3 ALA 94 HB3 ALA 94 -6.469 6.331 -5.639 678 H MET 95 H MET 95 -3.936 3.193 -7.013 679 HA MET 95 HA MET 95 -5.147 3.520 -9.586 680 HB2 MET 95 HB2 MET 95 -3.119 3.443 -10.957 681 HB3 MET 95 HB3 MET 95 -3.129 4.890 -9.950 682 HG2 MET 95 HG2 MET 95 -1.617 3.807 -8.344 683 HG3 MET 95 HG3 MET 95 -1.640 2.324 -9.304 684 HE1 MET 95 HE1 MET 95 0.242 2.948 -12.410 685 HE2 MET 95 HE2 MET 95 -1.462 3.393 -12.405 686 HE3 MET 95 HE3 MET 95 -0.923 2.000 -11.473 687 H ALA 96 H ALA 96 -4.443 1.659 -11.093 688 HA ALA 96 HA ALA 96 -3.867 -0.786 -9.550 689 HB1 ALA 96 HB1 ALA 96 -5.654 -1.938 -10.878 690 HB2 ALA 96 HB2 ALA 96 -6.175 -0.352 -11.444 691 HB3 ALA 96 HB3 ALA 96 -6.269 -0.748 -9.733 692 H TYR 97 H TYR 97 -2.924 -2.478 -10.753 693 HA TYR 97 HA TYR 97 -1.871 -1.649 -13.414 694 HB2 TYR 97 HB2 TYR 97 -0.664 -3.428 -11.319 695 HB3 TYR 97 HB3 TYR 97 0.027 -3.189 -12.922 696 HD1 TYR 97 HD1 TYR 97 -0.515 -1.737 -9.605 697 HD2 TYR 97 HD2 TYR 97 0.886 -0.950 -13.588 698 HE1 TYR 97 HE1 TYR 97 0.604 0.325 -8.804 699 HE2 TYR 97 HE2 TYR 97 2.004 1.111 -12.788 700 HH TYR 97 HH TYR 97 1.726 2.723 -10.868 701 H SER 98 H SER 98 -3.060 -2.640 -14.949 702 HA SER 98 HA SER 98 -4.354 -5.171 -14.642 703 HB2 SER 98 HB2 SER 98 -3.663 -3.578 -17.115 704 HB3 SER 98 HB3 SER 98 -4.644 -5.047 -17.114 705 HG SER 98 HG SER 98 -5.807 -2.990 -16.971 706 H LYS 99 H LYS 99 -1.351 -4.112 -16.136 707 HA LYS 99 HA LYS 99 -0.361 -6.876 -16.113 708 HB2 LYS 99 HB2 LYS 99 -1.203 -6.423 -18.398 709 HB3 LYS 99 HB3 LYS 99 -0.178 -4.995 -18.493 710 HG2 LYS 99 HG2 LYS 99 0.994 -6.761 -19.640 711 HG3 LYS 99 HG3 LYS 99 1.816 -6.534 -18.094 712 HD2 LYS 99 HD2 LYS 99 0.705 -8.462 -17.144 713 HD3 LYS 99 HD3 LYS 99 -0.332 -8.627 -18.562 714 HE2 LYS 99 HE2 LYS 99 1.482 -10.251 -18.708 715 HE3 LYS 99 HE3 LYS 99 1.703 -9.024 -19.955 716 HZ1 LYS 99 HZ1 LYS 99 3.778 -9.424 -18.846 717 HZ2 LYS 99 HZ2 LYS 99 3.074 -9.144 -17.325 718 HZ3 LYS 99 HZ3 LYS 99 3.236 -7.870 -18.438 719 H ALA 100 H ALA 100 1.669 -7.030 -15.412 720 HA ALA 100 HA ALA 100 3.068 -4.638 -14.548 721 HB1 ALA 100 HB1 ALA 100 3.100 -6.514 -13.035 722 HB2 ALA 100 HB2 ALA 100 4.734 -6.299 -13.662 723 HB3 ALA 100 HB3 ALA 100 3.709 -7.585 -14.298 724 H ALA 101 H ALA 101 5.063 -3.940 -15.296 725 HA ALA 101 HA ALA 101 5.555 -4.080 -18.030 726 HB1 ALA 101 HB1 ALA 101 6.616 -2.270 -17.123 727 HB2 ALA 101 HB2 ALA 101 7.989 -3.374 -17.137 728 HB3 ALA 101 HB3 ALA 101 7.067 -3.131 -15.653 729 H PHE 102 H PHE 102 6.711 -5.393 -19.336 730 HA PHE 102 HA PHE 102 7.594 -7.955 -18.286 731 HB2 PHE 102 HB2 PHE 102 6.311 -7.758 -20.427 732 HB3 PHE 102 HB3 PHE 102 7.688 -6.908 -21.133 733 HD1 PHE 102 HD1 PHE 102 6.609 -10.134 -19.605 734 HD2 PHE 102 HD2 PHE 102 9.604 -8.107 -21.925 735 HE1 PHE 102 HE1 PHE 102 7.671 -12.312 -20.138 736 HE2 PHE 102 HE2 PHE 102 10.663 -10.284 -22.458 737 HZ PHE 102 HZ PHE 102 9.697 -12.386 -21.565 738 H GLU 103 H GLU 103 9.553 -8.425 -17.695 739 HA GLU 103 HA GLU 103 11.749 -8.447 -17.405 740 HB2 GLU 103 HB2 GLU 103 13.089 -8.369 -19.249 741 HB3 GLU 103 HB3 GLU 103 11.554 -8.274 -20.084 742 HG2 GLU 103 HG2 GLU 103 11.811 -5.926 -20.494 743 HG3 GLU 103 HG3 GLU 103 13.083 -5.791 -19.287 744 H ARG 104 H ARG 104 10.896 -5.151 -18.428 745 HA ARG 104 HA ARG 104 11.385 -4.129 -15.812 746 HB2 ARG 104 HB2 ARG 104 13.149 -2.437 -16.458 747 HB3 ARG 104 HB3 ARG 104 13.704 -4.086 -16.229 748 HG2 ARG 104 HG2 ARG 104 14.216 -4.390 -18.440 749 HG3 ARG 104 HG3 ARG 104 12.916 -3.348 -19.031 750 HD2 ARG 104 HD2 ARG 104 15.052 -2.294 -19.496 751 HD3 ARG 104 HD3 ARG 104 14.261 -1.382 -18.214 752 HE ARG 104 HE ARG 104 15.921 -2.095 -16.728 753 HH11 ARG 104 HH11 ARG 104 16.182 -3.911 -19.725 754 HH12 ARG 104 HH12 ARG 104 17.708 -4.614 -19.309 755 HH21 ARG 104 HH21 ARG 104 17.915 -3.038 -16.225 756 HH22 ARG 104 HH22 ARG 104 18.681 -4.121 -17.339 757 H GLU 105 H GLU 105 10.060 -3.785 -18.899 758 HA GLU 105 HA GLU 105 8.960 -1.160 -18.172 759 HB2 GLU 105 HB2 GLU 105 10.093 -1.680 -20.928 760 HB3 GLU 105 HB3 GLU 105 9.438 -0.166 -20.312 761 HG2 GLU 105 HG2 GLU 105 11.317 -0.303 -18.510 762 HG3 GLU 105 HG3 GLU 105 12.023 -1.536 -19.543 763 H SER 106 H SER 106 7.336 -0.455 -19.930 764 HA SER 106 HA SER 106 5.357 -0.759 -20.986 765 HB2 SER 106 HB2 SER 106 6.369 -2.259 -22.541 766 HB3 SER 106 HB3 SER 106 6.405 -3.562 -21.360 767 HG SER 106 HG SER 106 4.544 -4.045 -22.263 768 H ASP 107 H ASP 107 5.173 -0.562 -18.360 769 HA ASP 107 HA ASP 107 3.401 -2.659 -17.321 770 HB2 ASP 107 HB2 ASP 107 5.099 -1.654 -15.810 771 HB3 ASP 107 HB3 ASP 107 4.343 -0.078 -16.030 772 H VAL 108 H VAL 108 1.265 -2.561 -17.856 773 HA VAL 108 HA VAL 108 0.160 0.006 -18.730 774 HB VAL 108 HB VAL 108 -0.982 -2.802 -18.916 775 HG11 VAL 108 HG11 VAL 108 -2.782 -1.149 -18.940 776 HG12 VAL 108 HG12 VAL 108 -2.540 -1.748 -20.581 777 HG13 VAL 108 HG13 VAL 108 -1.909 -0.167 -20.118 778 HG21 VAL 108 HG21 VAL 108 0.993 -2.571 -20.320 779 HG22 VAL 108 HG22 VAL 108 0.427 -1.016 -20.931 780 HG23 VAL 108 HG23 VAL 108 -0.429 -2.497 -21.362 781 HA PRO 109 HA PRO 109 -2.075 0.012 -14.671 782 HB2 PRO 109 HB2 PRO 109 -2.335 2.627 -14.334 783 HB3 PRO 109 HB3 PRO 109 -0.739 1.858 -14.174 784 HG2 PRO 109 HG2 PRO 109 -1.862 3.394 -16.472 785 HG3 PRO 109 HG3 PRO 109 -0.243 3.468 -15.748 786 HD2 PRO 109 HD2 PRO 109 -0.861 2.012 -18.028 787 HD3 PRO 109 HD3 PRO 109 0.526 1.678 -16.964 788 H LEU 110 H LEU 110 -4.291 0.371 -14.142 789 HA LEU 110 HA LEU 110 -6.134 0.508 -16.348 790 HB2 LEU 110 HB2 LEU 110 -6.531 0.397 -13.360 791 HB3 LEU 110 HB3 LEU 110 -7.885 0.561 -14.480 792 HG LEU 110 HG LEU 110 -5.827 -1.650 -14.730 793 HD11 LEU 110 HD11 LEU 110 -6.777 -2.151 -12.638 794 HD12 LEU 110 HD12 LEU 110 -7.812 -3.049 -13.735 795 HD13 LEU 110 HD13 LEU 110 -8.354 -1.505 -13.078 796 HD21 LEU 110 HD21 LEU 110 -8.578 -1.100 -15.883 797 HD22 LEU 110 HD22 LEU 110 -7.843 -2.698 -15.954 798 HD23 LEU 110 HD23 LEU 110 -7.071 -1.336 -16.767 799 H LYS 111 H LYS 111 -7.697 2.069 -16.807 800 HA LYS 111 HA LYS 111 -6.848 4.769 -16.543 801 HB2 LYS 111 HB2 LYS 111 -8.110 3.760 -18.497 802 HB3 LYS 111 HB3 LYS 111 -9.545 3.754 -17.472 803 HG2 LYS 111 HG2 LYS 111 -9.496 6.160 -17.268 804 HG3 LYS 111 HG3 LYS 111 -7.920 6.244 -18.077 805 HD2 LYS 111 HD2 LYS 111 -8.968 5.238 -20.114 806 HD3 LYS 111 HD3 LYS 111 -10.533 5.304 -19.306 807 HE2 LYS 111 HE2 LYS 111 -10.355 7.745 -19.122 808 HE3 LYS 111 HE3 LYS 111 -8.765 7.702 -19.878 809 HZ1 LYS 111 HZ1 LYS 111 -10.011 6.481 -21.755 810 HZ2 LYS 111 HZ2 LYS 111 -10.155 8.169 -21.633 811 HZ3 LYS 111 HZ3 LYS 111 -11.403 7.164 -21.070 812 H THR 112 H THR 112 -7.352 6.226 -15.045 813 HA THR 112 HA THR 112 -8.627 5.566 -12.623 814 HB THR 112 HB THR 112 -8.111 8.325 -13.797 815 HG1 THR 112 HG1 THR 112 -6.121 7.918 -13.326 816 HG21 THR 112 HG21 THR 112 -8.426 7.484 -10.898 817 HG22 THR 112 HG22 THR 112 -9.699 8.254 -11.843 818 HG23 THR 112 HG23 THR 112 -8.204 9.124 -11.506 819 H GLU 113 H GLU 113 -9.792 7.150 -15.531 820 HA GLU 113 HA GLU 113 -12.309 8.004 -14.542 821 HB2 GLU 113 HB2 GLU 113 -11.300 7.472 -17.316 822 HB3 GLU 113 HB3 GLU 113 -12.906 8.112 -16.987 823 HG2 GLU 113 HG2 GLU 113 -11.864 9.980 -15.708 824 HG3 GLU 113 HG3 GLU 113 -10.272 9.366 -16.153 825 H GLU 114 H GLU 114 -11.218 4.858 -15.210 826 HA GLU 114 HA GLU 114 -13.525 3.655 -16.282 827 HB2 GLU 114 HB2 GLU 114 -11.220 2.620 -16.130 828 HB3 GLU 114 HB3 GLU 114 -11.564 2.301 -14.425 829 HG2 GLU 114 HG2 GLU 114 -12.146 0.325 -15.657 830 HG3 GLU 114 HG3 GLU 114 -13.653 1.099 -15.166 831 H PHE 115 H PHE 115 -12.678 4.548 -13.012 832 HA PHE 115 HA PHE 115 -15.400 4.108 -12.133 833 HB2 PHE 115 HB2 PHE 115 -14.825 2.678 -10.210 834 HB3 PHE 115 HB3 PHE 115 -14.491 1.874 -11.745 835 HD1 PHE 115 HD1 PHE 115 -12.993 3.451 -8.772 836 HD2 PHE 115 HD2 PHE 115 -12.194 1.474 -12.496 837 HE1 PHE 115 HE1 PHE 115 -10.628 3.129 -8.091 838 HE2 PHE 115 HE2 PHE 115 -9.828 1.150 -11.821 839 HZ PHE 115 HZ PHE 115 -9.046 1.978 -9.615 840 H GLU 116 H GLU 116 -15.796 4.915 -9.938 841 HA GLU 116 HA GLU 116 -13.959 7.130 -9.253 842 HB2 GLU 116 HB2 GLU 116 -16.164 7.802 -10.222 843 HB3 GLU 116 HB3 GLU 116 -16.960 7.024 -8.851 844 HG2 GLU 116 HG2 GLU 116 -16.767 9.371 -8.337 845 HG3 GLU 116 HG3 GLU 116 -15.605 8.509 -7.329 846 H VAL 117 H VAL 117 -13.194 7.244 -7.219 847 HA VAL 117 HA VAL 117 -14.509 5.655 -5.097 848 HB VAL 117 HB VAL 117 -12.285 5.090 -4.170 849 HG11 VAL 117 HG11 VAL 117 -11.728 3.372 -5.809 850 HG12 VAL 117 HG12 VAL 117 -12.595 4.256 -7.062 851 HG13 VAL 117 HG13 VAL 117 -13.481 3.546 -5.714 852 HG21 VAL 117 HG21 VAL 117 -10.254 5.491 -5.452 853 HG22 VAL 117 HG22 VAL 117 -11.078 7.037 -5.252 854 HG23 VAL 117 HG23 VAL 117 -11.180 6.175 -6.789 855 H THR 118 H THR 118 -14.491 6.524 -3.043 856 HA THR 118 HA THR 118 -13.183 9.107 -2.601 857 HB THR 118 HB THR 118 -16.115 8.761 -1.937 858 HG1 THR 118 HG1 THR 118 -16.541 9.395 -3.888 859 HG21 THR 118 HG21 THR 118 -15.915 11.281 -1.811 860 HG22 THR 118 HG22 THR 118 -14.168 11.069 -1.920 861 HG23 THR 118 HG23 THR 118 -15.054 10.393 -0.553 862 H LYS 119 H LYS 119 -13.050 9.703 -0.371 863 HA LYS 119 HA LYS 119 -12.271 7.600 1.308 864 HB2 LYS 119 HB2 LYS 119 -12.076 9.293 3.072 865 HB3 LYS 119 HB3 LYS 119 -11.393 9.873 1.552 866 HG2 LYS 119 HG2 LYS 119 -13.531 11.080 1.084 867 HG3 LYS 119 HG3 LYS 119 -14.143 10.558 2.656 868 HD2 LYS 119 HD2 LYS 119 -11.560 12.111 2.364 869 HD3 LYS 119 HD3 LYS 119 -13.118 12.909 2.567 870 HE2 LYS 119 HE2 LYS 119 -13.470 11.618 4.671 871 HE3 LYS 119 HE3 LYS 119 -11.861 10.920 4.485 872 HZ1 LYS 119 HZ1 LYS 119 -12.213 13.844 4.446 873 HZ2 LYS 119 HZ2 LYS 119 -10.843 12.932 4.870 874 HZ3 LYS 119 HZ3 LYS 119 -12.171 13.022 5.928 875 H THR 120 H THR 120 -15.442 8.799 0.712 876 HA THR 120 HA THR 120 -16.439 7.259 3.032 877 HB THR 120 HB THR 120 -16.477 9.649 3.500 878 HG1 THR 120 HG1 THR 120 -18.719 9.700 4.038 879 HG21 THR 120 HG21 THR 120 -16.740 10.501 1.214 880 HG22 THR 120 HG22 THR 120 -18.019 11.131 2.251 881 HG23 THR 120 HG23 THR 120 -18.363 9.813 1.130 882 H ALA 121 H ALA 121 -16.667 7.716 -0.346 883 HA ALA 121 HA ALA 121 -18.885 5.821 -0.485 884 HB1 ALA 121 HB1 ALA 121 -20.286 7.667 -0.528 885 HB2 ALA 121 HB2 ALA 121 -19.984 7.406 -2.246 886 HB3 ALA 121 HB3 ALA 121 -19.110 8.670 -1.378 887 H VAL 122 H VAL 122 -19.275 4.999 -2.668 888 HA VAL 122 HA VAL 122 -17.043 5.441 -4.545 889 HB VAL 122 HB VAL 122 -16.935 3.011 -5.011 890 HG11 VAL 122 HG11 VAL 122 -15.845 2.408 -2.818 891 HG12 VAL 122 HG12 VAL 122 -16.429 3.955 -2.196 892 HG13 VAL 122 HG13 VAL 122 -15.297 3.917 -3.550 893 HG21 VAL 122 HG21 VAL 122 -18.785 2.834 -2.601 894 HG22 VAL 122 HG22 VAL 122 -17.945 1.459 -3.317 895 HG23 VAL 122 HG23 VAL 122 -19.165 2.330 -4.248 896 H ALA 123 H ALA 123 -17.457 4.930 -6.721 897 HA ALA 123 HA ALA 123 -20.117 4.177 -7.508 898 HB1 ALA 123 HB1 ALA 123 -20.493 6.544 -7.194 899 HB2 ALA 123 HB2 ALA 123 -20.459 6.208 -8.926 900 HB3 ALA 123 HB3 ALA 123 -19.058 6.938 -8.141 901 H HIS 124 H HIS 124 -20.291 3.831 -9.848 902 HA HIS 124 HA HIS 124 -17.679 3.136 -11.017 903 HB2 HIS 124 HB2 HIS 124 -18.922 1.540 -12.436 904 HB3 HIS 124 HB3 HIS 124 -19.167 1.215 -10.723 905 HD2 HIS 124 HD2 HIS 124 -21.259 2.010 -13.863 906 HE1 HIS 124 HE1 HIS 124 -23.880 2.361 -10.571 907 HE2 HIS 124 HE2 HIS 124 -23.743 2.264 -13.106 908 H ARG 125 H ARG 125 -17.318 3.437 -13.261 909 HA ARG 125 HA ARG 125 -18.805 5.726 -14.406 910 HB2 ARG 125 HB2 ARG 125 -15.929 4.895 -14.822 911 HB3 ARG 125 HB3 ARG 125 -16.705 6.248 -15.626 912 HG2 ARG 125 HG2 ARG 125 -16.561 6.021 -12.607 913 HG3 ARG 125 HG3 ARG 125 -15.323 6.847 -13.556 914 HD2 ARG 125 HD2 ARG 125 -18.281 7.547 -13.557 915 HD3 ARG 125 HD3 ARG 125 -17.028 8.426 -12.685 916 HE ARG 125 HE ARG 125 -16.201 8.332 -15.342 917 HH11 ARG 125 HH11 ARG 125 -18.935 9.656 -13.574 918 HH12 ARG 125 HH12 ARG 125 -19.197 10.943 -14.703 919 HH21 ARG 125 HH21 ARG 125 -16.583 10.020 -16.792 920 HH22 ARG 125 HH22 ARG 125 -17.870 11.146 -16.516 921 HA PRO 126 HA PRO 126 -20.084 3.250 -17.907 922 HB2 PRO 126 HB2 PRO 126 -19.087 5.448 -19.669 923 HB3 PRO 126 HB3 PRO 126 -20.689 4.680 -19.616 924 HG2 PRO 126 HG2 PRO 126 -20.377 7.088 -18.632 925 HG3 PRO 126 HG3 PRO 126 -21.355 5.892 -17.754 926 HD2 PRO 126 HD2 PRO 126 -18.547 6.800 -17.177 927 HD3 PRO 126 HD3 PRO 126 -19.884 6.476 -16.041 928 H GLY 127 H GLY 127 -19.148 1.724 -19.231 929 HA2 GLY 127 HA2 GLY 127 -17.541 0.682 -20.563 930 HA3 GLY 127 HA3 GLY 127 -16.492 2.081 -20.348 931 H ALA 128 H ALA 128 -17.741 0.885 -17.384 932 HA ALA 128 HA ALA 128 -15.304 0.308 -16.196 933 HB1 ALA 128 HB1 ALA 128 -16.620 -0.920 -14.490 934 HB2 ALA 128 HB2 ALA 128 -18.027 -0.845 -15.550 935 HB3 ALA 128 HB3 ALA 128 -17.337 0.639 -14.895 936 H PHE 129 H PHE 129 -14.088 -1.518 -15.866 937 HA PHE 129 HA PHE 129 -14.161 -3.508 -17.931 938 HB2 PHE 129 HB2 PHE 129 -12.436 -3.160 -15.479 939 HB3 PHE 129 HB3 PHE 129 -12.294 -4.572 -16.520 940 HD1 PHE 129 HD1 PHE 129 -11.106 -1.282 -15.988 941 HD2 PHE 129 HD2 PHE 129 -12.133 -4.026 -19.132 942 HE1 PHE 129 HE1 PHE 129 -9.687 -0.003 -17.571 943 HE2 PHE 129 HE2 PHE 129 -10.714 -2.745 -20.711 944 HZ PHE 129 HZ PHE 129 -9.490 -0.737 -19.930 945 H LYS 130 H LYS 130 -14.630 -5.646 -17.850 946 HA LYS 130 HA LYS 130 -15.552 -6.835 -15.375 947 HB2 LYS 130 HB2 LYS 130 -17.695 -7.641 -16.328 948 HB3 LYS 130 HB3 LYS 130 -17.638 -5.887 -16.162 949 HG2 LYS 130 HG2 LYS 130 -17.020 -5.709 -18.571 950 HG3 LYS 130 HG3 LYS 130 -17.129 -7.467 -18.712 951 HD2 LYS 130 HD2 LYS 130 -19.505 -7.373 -18.046 952 HD3 LYS 130 HD3 LYS 130 -19.397 -5.618 -17.916 953 HE2 LYS 130 HE2 LYS 130 -18.813 -5.467 -20.305 954 HE3 LYS 130 HE3 LYS 130 -18.912 -7.221 -20.441 955 HZ1 LYS 130 HZ1 LYS 130 -21.123 -5.370 -19.735 956 HZ2 LYS 130 HZ2 LYS 130 -21.240 -7.065 -19.695 957 HZ3 LYS 130 HZ3 LYS 130 -20.966 -6.262 -21.168 958 H ALA 131 H ALA 131 -13.724 -7.136 -18.038 959 HA ALA 131 HA ALA 131 -13.751 -10.075 -17.917 960 HB1 ALA 131 HB1 ALA 131 -13.792 -8.341 -20.381 961 HB2 ALA 131 HB2 ALA 131 -14.797 -9.740 -19.998 962 HB3 ALA 131 HB3 ALA 131 -13.099 -9.963 -20.417 963 H GLU 132 H GLU 132 -12.112 -7.830 -16.725 964 HA GLU 132 HA GLU 132 -9.456 -8.780 -17.565 965 HB2 GLU 132 HB2 GLU 132 -9.903 -6.620 -18.682 966 HB3 GLU 132 HB3 GLU 132 -10.248 -5.881 -17.117 967 HG2 GLU 132 HG2 GLU 132 -7.939 -6.331 -16.381 968 HG3 GLU 132 HG3 GLU 132 -7.592 -7.143 -17.907 969 H LEU 133 H LEU 133 -8.085 -9.177 -15.900 970 HA LEU 133 HA LEU 133 -9.033 -8.586 -13.160 971 HB2 LEU 133 HB2 LEU 133 -7.331 -10.814 -14.290 972 HB3 LEU 133 HB3 LEU 133 -7.354 -10.446 -12.567 973 HG LEU 133 HG LEU 133 -9.911 -10.629 -12.713 974 HD11 LEU 133 HD11 LEU 133 -10.328 -10.522 -15.054 975 HD12 LEU 133 HD12 LEU 133 -10.603 -12.209 -14.637 976 HD13 LEU 133 HD13 LEU 133 -9.093 -11.728 -15.412 977 HD21 LEU 133 HD21 LEU 133 -8.055 -12.982 -13.145 978 HD22 LEU 133 HD22 LEU 133 -9.765 -13.196 -12.772 979 HD23 LEU 133 HD23 LEU 133 -8.705 -12.386 -11.620 980 H SER 134 H SER 134 -7.700 -7.534 -11.706 981 HA SER 134 HA SER 134 -4.947 -6.943 -12.403 982 HB2 SER 134 HB2 SER 134 -6.207 -5.255 -13.679 983 HB3 SER 134 HB3 SER 134 -7.003 -4.741 -12.200 984 HG SER 134 HG SER 134 -5.235 -3.736 -11.606 985 H LYS 135 H LYS 135 -4.053 -5.238 -10.771 986 HA LYS 135 HA LYS 135 -5.045 -5.937 -8.075 987 HB2 LYS 135 HB2 LYS 135 -2.726 -5.654 -7.268 988 HB3 LYS 135 HB3 LYS 135 -2.842 -6.948 -8.456 989 HG2 LYS 135 HG2 LYS 135 -2.043 -5.374 -10.207 990 HG3 LYS 135 HG3 LYS 135 -1.902 -4.107 -8.985 991 HD2 LYS 135 HD2 LYS 135 -0.284 -5.484 -7.733 992 HD3 LYS 135 HD3 LYS 135 -0.416 -6.752 -8.957 993 HE2 LYS 135 HE2 LYS 135 0.414 -5.186 -10.672 994 HE3 LYS 135 HE3 LYS 135 0.541 -3.918 -9.450 995 HZ1 LYS 135 HZ1 LYS 135 2.662 -4.785 -9.524 996 HZ2 LYS 135 HZ2 LYS 135 2.126 -6.386 -9.728 997 HZ3 LYS 135 HZ3 LYS 135 1.985 -5.623 -8.215 998 H LEU 136 H LEU 136 -4.697 -4.352 -6.414 999 HA LEU 136 HA LEU 136 -4.900 -1.578 -7.435 1000 HB2 LEU 136 HB2 LEU 136 -6.307 -3.025 -5.225 1001 HB3 LEU 136 HB3 LEU 136 -6.229 -1.264 -5.233 1002 HG LEU 136 HG LEU 136 -7.207 -2.818 -7.642 1003 HD11 LEU 136 HD11 LEU 136 -8.740 -1.913 -5.191 1004 HD12 LEU 136 HD12 LEU 136 -8.703 -3.521 -5.909 1005 HD13 LEU 136 HD13 LEU 136 -9.531 -2.206 -6.740 1006 HD21 LEU 136 HD21 LEU 136 -6.533 -0.326 -7.714 1007 HD22 LEU 136 HD22 LEU 136 -7.923 -0.028 -6.684 1008 HD23 LEU 136 HD23 LEU 136 -8.154 -0.706 -8.294 1009 H VAL 137 H VAL 137 -3.934 0.072 -6.344 1010 HA VAL 137 HA VAL 137 -2.415 -0.500 -3.918 1011 HB VAL 137 HB VAL 137 -0.791 -0.793 -5.779 1012 HG11 VAL 137 HG11 VAL 137 -1.851 0.699 -7.420 1013 HG12 VAL 137 HG12 VAL 137 -0.154 1.105 -7.185 1014 HG13 VAL 137 HG13 VAL 137 -1.405 2.099 -6.443 1015 HG21 VAL 137 HG21 VAL 137 -0.395 1.721 -4.117 1016 HG22 VAL 137 HG22 VAL 137 0.894 0.868 -4.965 1017 HG23 VAL 137 HG23 VAL 137 0.037 0.078 -3.643 1018 H ILE 138 H ILE 138 -2.926 0.960 -2.456 1019 HA ILE 138 HA ILE 138 -3.852 3.633 -3.339 1020 HB ILE 138 HB ILE 138 -4.977 2.032 -1.011 1021 HG12 ILE 138 HG12 ILE 138 -7.085 2.131 -2.631 1022 HG13 ILE 138 HG13 ILE 138 -5.864 2.336 -3.895 1023 HG21 ILE 138 HG21 ILE 138 -5.697 4.704 -2.249 1024 HG22 ILE 138 HG22 ILE 138 -5.230 4.376 -0.581 1025 HG23 ILE 138 HG23 ILE 138 -6.791 3.820 -1.185 1026 HD11 ILE 138 HD11 ILE 138 -6.713 -0.073 -3.214 1027 HD12 ILE 138 HD12 ILE 138 -5.559 0.098 -1.895 1028 HD13 ILE 138 HD13 ILE 138 -5.008 0.186 -3.568 1029 H VAL 139 H VAL 139 -2.903 5.320 -2.441 1030 HA VAL 139 HA VAL 139 -1.457 4.991 0.130 1031 HB VAL 139 HB VAL 139 -0.688 6.805 -2.200 1032 HG11 VAL 139 HG11 VAL 139 -0.152 7.801 -0.011 1033 HG12 VAL 139 HG12 VAL 139 1.323 7.303 -0.839 1034 HG13 VAL 139 HG13 VAL 139 0.674 6.320 0.472 1035 HG21 VAL 139 HG21 VAL 139 1.355 5.342 -2.283 1036 HG22 VAL 139 HG22 VAL 139 -0.128 4.482 -2.694 1037 HG23 VAL 139 HG23 VAL 139 0.593 4.282 -1.097 1038 H ALA 140 H ALA 140 -2.382 6.139 1.702 1039 HA ALA 140 HA ALA 140 -3.867 8.601 0.972 1040 HB1 ALA 140 HB1 ALA 140 -5.499 6.872 1.353 1041 HB2 ALA 140 HB2 ALA 140 -5.539 7.996 2.710 1042 HB3 ALA 140 HB3 ALA 140 -4.741 6.434 2.884 1043 H LYS 141 H LYS 141 -3.902 10.279 2.387 1044 HA LYS 141 HA LYS 141 -1.793 10.281 4.411 1045 HB2 LYS 141 HB2 LYS 141 -2.384 12.069 2.438 1046 HB3 LYS 141 HB3 LYS 141 -3.298 12.781 3.756 1047 HG2 LYS 141 HG2 LYS 141 -0.434 11.941 4.222 1048 HG3 LYS 141 HG3 LYS 141 -0.775 13.447 3.377 1049 HD2 LYS 141 HD2 LYS 141 -2.063 12.796 6.034 1050 HD3 LYS 141 HD3 LYS 141 -0.482 13.566 5.946 1051 HE2 LYS 141 HE2 LYS 141 -1.485 15.360 4.535 1052 HE3 LYS 141 HE3 LYS 141 -3.067 14.612 4.765 1053 HZ1 LYS 141 HZ1 LYS 141 -1.343 15.944 6.751 1054 HZ2 LYS 141 HZ2 LYS 141 -2.474 14.779 7.250 1055 HZ3 LYS 141 HZ3 LYS 141 -2.992 16.182 6.441 1056 H ALA 142 H ALA 142 -2.206 10.567 6.557 1057 HA ALA 142 HA ALA 142 -4.734 9.961 7.624 1058 HB1 ALA 142 HB1 ALA 142 -2.214 11.107 8.787 1059 HB2 ALA 142 HB2 ALA 142 -2.942 9.525 9.063 1060 HB3 ALA 142 HB3 ALA 142 -3.671 10.967 9.770 1061 H SER 143 H SER 143 -6.413 11.177 8.344 1062 HA SER 143 HA SER 143 -6.202 14.069 8.550 1063 HB2 SER 143 HB2 SER 143 -7.919 14.559 6.911 1064 HB3 SER 143 HB3 SER 143 -6.608 13.681 6.134 1065 HG SER 143 HG SER 143 -8.964 13.008 5.850 1066 H ARG 144 H ARG 144 -8.206 15.051 9.346 1067 HA ARG 144 HA ARG 144 -9.563 13.247 11.219 1068 HB2 ARG 144 HB2 ARG 144 -8.469 15.341 12.044 1069 HB3 ARG 144 HB3 ARG 144 -9.622 16.275 11.089 1070 HG2 ARG 144 HG2 ARG 144 -11.488 15.167 12.341 1071 HG3 ARG 144 HG3 ARG 144 -10.286 14.363 13.353 1072 HD2 ARG 144 HD2 ARG 144 -11.033 16.350 14.514 1073 HD3 ARG 144 HD3 ARG 144 -9.381 16.620 13.967 1074 HE ARG 144 HE ARG 144 -11.274 17.552 12.028 1075 HH11 ARG 144 HH11 ARG 144 -9.825 18.426 15.107 1076 HH12 ARG 144 HH12 ARG 144 -10.055 20.127 14.870 1077 HH21 ARG 144 HH21 ARG 144 -11.549 19.780 11.758 1078 HH22 ARG 144 HH22 ARG 144 -11.026 20.886 12.983 1079 H THR 145 H THR 145 -11.580 12.557 10.867 1080 HA THR 145 HA THR 145 -13.342 14.102 9.083 1081 HB THR 145 HB THR 145 -13.154 11.072 9.284 1082 HG1 THR 145 HG1 THR 145 -12.077 11.170 7.419 1083 HG21 THR 145 HG21 THR 145 -14.718 12.758 7.313 1084 HG22 THR 145 HG22 THR 145 -15.431 12.088 8.780 1085 HG23 THR 145 HG23 THR 145 -14.797 11.011 7.535 1086 H GLU 146 H GLU 146 -15.045 14.801 10.154 1087 HA GLU 146 HA GLU 146 -16.437 13.127 12.070 1088 HB2 GLU 146 HB2 GLU 146 -14.645 14.307 13.398 1089 HB3 GLU 146 HB3 GLU 146 -15.434 15.829 12.979 1090 HG2 GLU 146 HG2 GLU 146 -16.214 15.089 15.174 1091 HG3 GLU 146 HG3 GLU 146 -17.530 14.998 14.013 1092 H LEU 147 H LEU 147 -18.592 13.635 12.249 1093 HA LEU 147 HA LEU 147 -20.620 14.529 11.680 1094 HB2 LEU 147 HB2 LEU 147 -18.951 17.050 11.746 1095 HB3 LEU 147 HB3 LEU 147 -20.692 17.068 11.467 1096 HG LEU 147 HG LEU 147 -19.433 15.728 13.878 1097 HD11 LEU 147 HD11 LEU 147 -18.864 18.080 14.002 1098 HD12 LEU 147 HD12 LEU 147 -20.201 17.781 15.113 1099 HD13 LEU 147 HD13 LEU 147 -20.506 18.543 13.552 1100 HD21 LEU 147 HD21 LEU 147 -22.252 16.602 13.150 1101 HD22 LEU 147 HD22 LEU 147 -21.785 16.087 14.769 1102 HD23 LEU 147 HD23 LEU 147 -21.691 14.953 13.425 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 26.876 10.155 5.469 2 H2 GLY 1 HT2 GLY 1 26.478 10.542 7.074 3 H3 GLY 1 HT3 GLY 1 25.291 10.613 5.859 4 HA2 GLY 1 HA2 GLY 1 26.356 8.041 5.797 5 HA3 GLY 1 HA3 GLY 1 26.013 8.433 7.482 6 H SER 2 H SER 2 24.250 7.030 7.612 7 HA SER 2 HA SER 2 21.753 8.122 6.591 8 HB2 SER 2 HB2 SER 2 21.002 6.045 5.579 9 HB3 SER 2 HB3 SER 2 22.497 6.564 4.810 10 HG SER 2 HG SER 2 21.983 4.273 6.032 11 H LYS 3 H LYS 3 19.867 7.144 7.604 12 HA LYS 3 HA LYS 3 20.493 5.877 10.211 13 HB2 LYS 3 HB2 LYS 3 18.350 7.892 9.505 14 HB3 LYS 3 HB3 LYS 3 18.420 7.018 11.039 15 HG2 LYS 3 HG2 LYS 3 20.604 7.959 11.543 16 HG3 LYS 3 HG3 LYS 3 20.679 8.730 9.956 17 HD2 LYS 3 HD2 LYS 3 20.024 10.440 11.513 18 HD3 LYS 3 HD3 LYS 3 18.578 10.014 10.602 19 HE2 LYS 3 HE2 LYS 3 17.812 8.571 12.436 20 HE3 LYS 3 HE3 LYS 3 19.289 8.907 13.340 21 HZ1 LYS 3 HZ1 LYS 3 18.621 11.004 13.841 22 HZ2 LYS 3 HZ2 LYS 3 17.092 10.272 13.728 23 HZ3 LYS 3 HZ3 LYS 3 17.698 11.187 12.432 24 H GLY 4 H GLY 4 18.011 6.227 7.690 25 HA2 GLY 4 HA2 GLY 4 16.709 4.586 6.687 26 HA3 GLY 4 HA3 GLY 4 17.402 3.398 7.786 27 H THR 5 H THR 5 14.782 3.188 7.290 28 HA THR 5 HA THR 5 13.546 3.970 9.846 29 HB THR 5 HB THR 5 11.412 4.447 8.709 30 HG1 THR 5 HG1 THR 5 11.235 4.322 6.571 31 HG21 THR 5 HG21 THR 5 13.828 6.021 7.801 32 HG22 THR 5 HG22 THR 5 12.759 6.369 9.160 33 HG23 THR 5 HG23 THR 5 12.173 6.555 7.507 34 H VAL 6 H VAL 6 11.596 2.630 10.356 35 HA VAL 6 HA VAL 6 11.777 -0.068 9.146 36 HB VAL 6 HB VAL 6 11.326 -1.041 11.378 37 HG11 VAL 6 HG11 VAL 6 13.558 -0.799 12.228 38 HG12 VAL 6 HG12 VAL 6 13.740 0.780 11.463 39 HG13 VAL 6 HG13 VAL 6 13.659 -0.677 10.471 40 HG21 VAL 6 HG21 VAL 6 10.242 1.066 12.306 41 HG22 VAL 6 HG22 VAL 6 11.860 1.750 12.461 42 HG23 VAL 6 HG23 VAL 6 11.416 0.314 13.385 43 H SER 7 H SER 7 9.886 -1.280 9.038 44 HA SER 7 HA SER 7 7.360 0.098 9.660 45 HB2 SER 7 HB2 SER 7 8.048 -1.177 7.005 46 HB3 SER 7 HB3 SER 7 6.451 -0.600 7.466 47 HG SER 7 HG SER 7 7.215 1.462 7.499 48 H GLU 8 H GLU 8 5.523 -1.294 9.835 49 HA GLU 8 HA GLU 8 6.156 -4.160 10.147 50 HB2 GLU 8 HB2 GLU 8 4.606 -4.210 12.138 51 HB3 GLU 8 HB3 GLU 8 6.091 -3.300 12.408 52 HG2 GLU 8 HG2 GLU 8 4.874 -1.187 11.960 53 HG3 GLU 8 HG3 GLU 8 3.387 -2.089 11.701 54 HA PRO 9 HA PRO 9 2.374 -3.452 7.391 55 HB2 PRO 9 HB2 PRO 9 3.164 -5.002 5.310 56 HB3 PRO 9 HB3 PRO 9 3.621 -3.291 5.461 57 HG2 PRO 9 HG2 PRO 9 5.201 -5.730 6.141 58 HG3 PRO 9 HG3 PRO 9 5.711 -4.263 5.287 59 HD2 PRO 9 HD2 PRO 9 6.287 -4.644 7.901 60 HD3 PRO 9 HD3 PRO 9 5.941 -3.024 7.244 61 H THR 10 H THR 10 0.691 -4.907 7.028 62 HA THR 10 HA THR 10 1.059 -7.655 8.073 63 HB THR 10 HB THR 10 -1.336 -5.832 8.484 64 HG1 THR 10 HG1 THR 10 0.134 -5.148 9.891 65 HG21 THR 10 HG21 THR 10 -1.862 -8.282 8.323 66 HG22 THR 10 HG22 THR 10 -2.198 -7.605 9.916 67 HG23 THR 10 HG23 THR 10 -0.745 -8.569 9.656 68 H THR 11 H THR 11 0.246 -9.285 6.859 69 HA THR 11 HA THR 11 -1.215 -8.545 4.406 70 HB THR 11 HB THR 11 -0.428 -10.831 3.597 71 HG1 THR 11 HG1 THR 11 0.579 -11.966 5.007 72 HG21 THR 11 HG21 THR 11 0.711 -9.135 2.542 73 HG22 THR 11 HG22 THR 11 2.042 -9.900 3.406 74 HG23 THR 11 HG23 THR 11 1.315 -8.427 4.044 75 H VAL 12 H VAL 12 -3.128 -9.421 3.903 76 HA VAL 12 HA VAL 12 -4.214 -11.527 5.660 77 HB VAL 12 HB VAL 12 -5.706 -9.030 4.769 78 HG11 VAL 12 HG11 VAL 12 -7.203 -10.969 4.851 79 HG12 VAL 12 HG12 VAL 12 -7.532 -9.910 6.222 80 HG13 VAL 12 HG13 VAL 12 -6.606 -11.392 6.455 81 HG21 VAL 12 HG21 VAL 12 -4.178 -8.518 6.593 82 HG22 VAL 12 HG22 VAL 12 -4.689 -9.955 7.477 83 HG23 VAL 12 HG23 VAL 12 -5.810 -8.612 7.256 84 H ALA 13 H ALA 13 -5.154 -13.182 4.601 85 HA ALA 13 HA ALA 13 -5.486 -12.978 1.684 86 HB1 ALA 13 HB1 ALA 13 -5.118 -15.259 1.549 87 HB2 ALA 13 HB2 ALA 13 -5.742 -15.562 3.171 88 HB3 ALA 13 HB3 ALA 13 -4.140 -14.856 2.961 89 H PHE 14 H PHE 14 -7.444 -13.561 0.653 90 HA PHE 14 HA PHE 14 -9.735 -14.236 2.334 91 HB2 PHE 14 HB2 PHE 14 -11.107 -12.368 1.601 92 HB3 PHE 14 HB3 PHE 14 -9.647 -11.751 2.364 93 HD1 PHE 14 HD1 PHE 14 -11.548 -12.028 -0.744 94 HD2 PHE 14 HD2 PHE 14 -7.802 -10.796 0.959 95 HE1 PHE 14 HE1 PHE 14 -11.032 -10.755 -2.804 96 HE2 PHE 14 HE2 PHE 14 -7.289 -9.522 -1.110 97 HZ PHE 14 HZ PHE 14 -8.902 -9.502 -2.987 98 H ASP 15 H ASP 15 -11.670 -14.795 1.101 99 HA ASP 15 HA ASP 15 -10.953 -16.088 -1.445 100 HB2 ASP 15 HB2 ASP 15 -13.299 -16.570 0.405 101 HB3 ASP 15 HB3 ASP 15 -12.942 -17.485 -1.058 102 H VAL 16 H VAL 16 -11.790 -15.419 -3.331 103 HA VAL 16 HA VAL 16 -13.943 -13.405 -3.274 104 HB VAL 16 HB VAL 16 -13.406 -13.012 -5.654 105 HG11 VAL 16 HG11 VAL 16 -11.059 -12.117 -5.266 106 HG12 VAL 16 HG12 VAL 16 -11.126 -12.878 -3.677 107 HG13 VAL 16 HG13 VAL 16 -12.272 -11.605 -4.094 108 HG21 VAL 16 HG21 VAL 16 -11.161 -14.045 -6.453 109 HG22 VAL 16 HG22 VAL 16 -12.578 -15.084 -6.474 110 HG23 VAL 16 HG23 VAL 16 -11.402 -15.235 -5.176 111 H ARG 17 H ARG 17 -15.873 -14.292 -3.209 112 HA ARG 17 HA ARG 17 -16.330 -16.821 -4.609 113 HB2 ARG 17 HB2 ARG 17 -17.878 -15.439 -2.419 114 HB3 ARG 17 HB3 ARG 17 -18.381 -16.946 -3.191 115 HG2 ARG 17 HG2 ARG 17 -16.405 -18.101 -2.453 116 HG3 ARG 17 HG3 ARG 17 -15.647 -16.596 -1.928 117 HD2 ARG 17 HD2 ARG 17 -16.516 -17.875 -0.021 118 HD3 ARG 17 HD3 ARG 17 -17.331 -16.327 -0.172 119 HE ARG 17 HE ARG 17 -18.467 -18.983 -0.868 120 HH11 ARG 17 HH11 ARG 17 -19.006 -15.534 -0.305 121 HH12 ARG 17 HH12 ARG 17 -20.724 -15.706 -0.262 122 HH21 ARG 17 HH21 ARG 17 -20.713 -19.130 -0.793 123 HH22 ARG 17 HH22 ARG 17 -21.682 -17.717 -0.537 124 HA PRO 18 HA PRO 18 -18.563 -14.187 -7.628 125 HB2 PRO 18 HB2 PRO 18 -18.828 -15.951 -9.599 126 HB3 PRO 18 HB3 PRO 18 -17.249 -15.229 -9.225 127 HG2 PRO 18 HG2 PRO 18 -18.332 -17.901 -8.445 128 HG3 PRO 18 HG3 PRO 18 -16.734 -17.488 -9.102 129 HD2 PRO 18 HD2 PRO 18 -17.152 -17.871 -6.442 130 HD3 PRO 18 HD3 PRO 18 -15.934 -16.730 -7.063 131 H GLY 19 H GLY 19 -20.619 -14.475 -8.942 132 HA2 GLY 19 HA2 GLY 19 -22.614 -16.125 -9.052 133 HA3 GLY 19 HA3 GLY 19 -22.652 -15.863 -7.310 134 H GLY 20 H GLY 20 -21.690 -13.091 -9.117 135 HA2 GLY 20 HA2 GLY 20 -22.737 -11.131 -9.712 136 HA3 GLY 20 HA3 GLY 20 -24.256 -12.021 -9.757 137 H VAL 21 H VAL 21 -22.277 -12.025 -6.882 138 HA VAL 21 HA VAL 21 -24.288 -10.353 -5.497 139 HB VAL 21 HB VAL 21 -22.495 -12.525 -4.357 140 HG11 VAL 21 HG11 VAL 21 -22.936 -10.879 -2.648 141 HG12 VAL 21 HG12 VAL 21 -23.990 -12.256 -2.333 142 HG13 VAL 21 HG13 VAL 21 -24.642 -10.802 -3.088 143 HG21 VAL 21 HG21 VAL 21 -25.489 -12.497 -4.883 144 HG22 VAL 21 HG22 VAL 21 -24.612 -13.797 -4.076 145 HG23 VAL 21 HG23 VAL 21 -24.298 -13.442 -5.775 146 H VAL 22 H VAL 22 -23.644 -8.514 -4.641 147 HA VAL 22 HA VAL 22 -20.937 -7.605 -4.974 148 HB VAL 22 HB VAL 22 -23.269 -6.315 -3.504 149 HG11 VAL 22 HG11 VAL 22 -21.966 -4.203 -3.858 150 HG12 VAL 22 HG12 VAL 22 -20.617 -5.174 -4.448 151 HG13 VAL 22 HG13 VAL 22 -21.157 -5.338 -2.777 152 HG21 VAL 22 HG21 VAL 22 -23.511 -4.972 -5.578 153 HG22 VAL 22 HG22 VAL 22 -23.734 -6.690 -5.901 154 HG23 VAL 22 HG23 VAL 22 -22.215 -5.905 -6.327 155 H HIS 23 H HIS 23 -19.334 -8.050 -3.683 156 HA HIS 23 HA HIS 23 -19.875 -8.681 -0.838 157 HB2 HIS 23 HB2 HIS 23 -17.597 -9.611 -2.599 158 HB3 HIS 23 HB3 HIS 23 -17.770 -9.974 -0.884 159 HD2 HIS 23 HD2 HIS 23 -18.828 -11.477 -4.219 160 HE1 HIS 23 HE1 HIS 23 -21.447 -13.140 -1.356 161 HE2 HIS 23 HE2 HIS 23 -20.626 -13.312 -3.753 162 H SER 24 H SER 24 -18.821 -7.626 0.707 163 HA SER 24 HA SER 24 -16.902 -5.526 -0.116 164 HB2 SER 24 HB2 SER 24 -18.902 -5.484 2.151 165 HB3 SER 24 HB3 SER 24 -17.683 -4.247 1.855 166 HG SER 24 HG SER 24 -20.056 -4.327 0.843 167 H PHE 25 H PHE 25 -14.952 -5.639 0.687 168 HA PHE 25 HA PHE 25 -14.461 -7.168 3.172 169 HB2 PHE 25 HB2 PHE 25 -12.765 -7.143 0.659 170 HB3 PHE 25 HB3 PHE 25 -12.273 -7.870 2.191 171 HD1 PHE 25 HD1 PHE 25 -14.449 -8.174 -0.743 172 HD2 PHE 25 HD2 PHE 25 -13.448 -9.853 3.081 173 HE1 PHE 25 HE1 PHE 25 -15.683 -10.243 -1.328 174 HE2 PHE 25 HE2 PHE 25 -14.681 -11.923 2.496 175 HZ PHE 25 HZ PHE 25 -15.799 -12.118 0.291 176 H SER 26 H SER 26 -12.996 -6.278 4.598 177 HA SER 26 HA SER 26 -11.484 -3.921 3.841 178 HB2 SER 26 HB2 SER 26 -12.505 -2.451 5.491 179 HB3 SER 26 HB3 SER 26 -13.727 -3.026 4.363 180 HG SER 26 HG SER 26 -14.679 -3.547 6.194 181 H HIS 27 H HIS 27 -10.155 -3.083 5.640 182 HA HIS 27 HA HIS 27 -9.704 -4.930 7.855 183 HB2 HIS 27 HB2 HIS 27 -8.297 -5.747 5.929 184 HB3 HIS 27 HB3 HIS 27 -7.432 -4.212 5.989 185 HD2 HIS 27 HD2 HIS 27 -8.346 -5.911 9.434 186 HE1 HIS 27 HE1 HIS 27 -4.199 -6.399 8.814 187 HE2 HIS 27 HE2 HIS 27 -6.088 -6.690 10.485 188 H ASN 28 H ASN 28 -8.997 -3.949 9.641 189 HA ASN 28 HA ASN 28 -8.633 -1.043 9.548 190 HB2 ASN 28 HB2 ASN 28 -9.164 -1.054 11.908 191 HB3 ASN 28 HB3 ASN 28 -10.378 -1.991 11.040 192 HD21 ASN 28 HD21 ASN 28 -9.852 -2.359 13.857 193 HD22 ASN 28 HD22 ASN 28 -9.211 -3.916 14.073 194 H VAL 29 H VAL 29 -7.125 -0.114 11.202 195 HA VAL 29 HA VAL 29 -4.611 -1.671 11.372 196 HB VAL 29 HB VAL 29 -4.931 1.327 10.932 197 HG11 VAL 29 HG11 VAL 29 -2.958 1.111 12.194 198 HG12 VAL 29 HG12 VAL 29 -2.356 1.078 10.539 199 HG13 VAL 29 HG13 VAL 29 -2.525 -0.425 11.447 200 HG21 VAL 29 HG21 VAL 29 -5.384 0.172 8.868 201 HG22 VAL 29 HG22 VAL 29 -4.048 -0.951 9.131 202 HG23 VAL 29 HG23 VAL 29 -3.718 0.741 8.760 203 H GLY 30 H GLY 30 -3.771 -1.892 13.386 204 HA2 GLY 30 HA2 GLY 30 -5.175 -1.568 15.690 205 HA3 GLY 30 HA3 GLY 30 -3.414 -1.568 15.662 206 HA PRO 31 HA PRO 31 -3.183 2.721 17.006 207 HB2 PRO 31 HB2 PRO 31 -1.779 3.457 14.476 208 HB3 PRO 31 HB3 PRO 31 -1.289 3.732 16.163 209 HG2 PRO 31 HG2 PRO 31 -0.093 1.869 14.762 210 HG3 PRO 31 HG3 PRO 31 -0.557 1.546 16.446 211 HD2 PRO 31 HD2 PRO 31 -1.911 0.619 13.924 212 HD3 PRO 31 HD3 PRO 31 -1.607 -0.271 15.437 213 H GLY 32 H GLY 32 -3.764 2.483 13.491 214 HA2 GLY 32 HA2 GLY 32 -5.600 4.773 13.531 215 HA3 GLY 32 HA3 GLY 32 -4.982 3.958 12.094 216 H ASP 33 H ASP 33 -6.788 2.941 15.022 217 HA ASP 33 HA ASP 33 -8.164 0.837 13.784 218 HB2 ASP 33 HB2 ASP 33 -9.668 0.907 15.729 219 HB3 ASP 33 HB3 ASP 33 -7.967 1.037 16.173 220 H LYS 34 H LYS 34 -9.006 4.251 14.077 221 HA LYS 34 HA LYS 34 -11.647 4.088 13.108 222 HB2 LYS 34 HB2 LYS 34 -10.359 6.038 14.277 223 HB3 LYS 34 HB3 LYS 34 -9.817 6.434 12.647 224 HG2 LYS 34 HG2 LYS 34 -11.773 7.730 12.997 225 HG3 LYS 34 HG3 LYS 34 -12.281 6.388 11.966 226 HD2 LYS 34 HD2 LYS 34 -13.422 5.292 13.691 227 HD3 LYS 34 HD3 LYS 34 -12.491 6.076 14.967 228 HE2 LYS 34 HE2 LYS 34 -14.698 7.019 14.962 229 HE3 LYS 34 HE3 LYS 34 -13.563 8.226 14.354 230 HZ1 LYS 34 HZ1 LYS 34 -15.754 7.798 13.075 231 HZ2 LYS 34 HZ2 LYS 34 -14.945 6.430 12.473 232 HZ3 LYS 34 HZ3 LYS 34 -14.312 7.984 12.204 233 H TYR 35 H TYR 35 -8.480 4.330 11.606 234 HA TYR 35 HA TYR 35 -9.425 4.808 8.926 235 HB2 TYR 35 HB2 TYR 35 -7.185 5.543 9.766 236 HB3 TYR 35 HB3 TYR 35 -6.700 3.848 9.837 237 HD1 TYR 35 HD1 TYR 35 -7.532 6.663 7.634 238 HD2 TYR 35 HD2 TYR 35 -6.383 2.537 7.795 239 HE1 TYR 35 HE1 TYR 35 -6.988 6.722 5.216 240 HE2 TYR 35 HE2 TYR 35 -5.836 2.591 5.376 241 HH TYR 35 HH TYR 35 -6.280 3.832 3.422 242 H THR 36 H THR 36 -9.918 3.371 7.349 243 HA THR 36 HA THR 36 -8.996 0.623 7.501 244 HB THR 36 HB THR 36 -11.021 0.512 8.879 245 HG1 THR 36 HG1 THR 36 -11.094 -1.343 7.936 246 HG21 THR 36 HG21 THR 36 -12.508 1.464 6.416 247 HG22 THR 36 HG22 THR 36 -12.179 2.466 7.828 248 HG23 THR 36 HG23 THR 36 -13.212 1.044 7.978 249 H CYS 37 H CYS 37 -9.217 -0.551 5.562 250 HA CYS 37 HA CYS 37 -9.678 1.126 3.155 251 HB2 CYS 37 HB2 CYS 37 -8.335 -1.601 3.237 252 HB3 CYS 37 HB3 CYS 37 -8.280 -0.409 1.938 253 H MET 38 H MET 38 -11.225 0.521 1.660 254 HA MET 38 HA MET 38 -12.801 -1.903 2.291 255 HB2 MET 38 HB2 MET 38 -13.816 0.792 1.420 256 HB3 MET 38 HB3 MET 38 -14.802 -0.667 1.516 257 HG2 MET 38 HG2 MET 38 -14.316 -0.900 3.888 258 HG3 MET 38 HG3 MET 38 -13.248 0.499 3.836 259 HE1 MET 38 HE1 MET 38 -16.895 -0.058 2.123 260 HE2 MET 38 HE2 MET 38 -17.804 0.322 3.582 261 HE3 MET 38 HE3 MET 38 -16.630 -0.990 3.607 262 H PHE 39 H PHE 39 -13.358 -3.188 0.703 263 HA PHE 39 HA PHE 39 -12.865 -2.354 -2.077 264 HB2 PHE 39 HB2 PHE 39 -11.882 -4.891 -0.769 265 HB3 PHE 39 HB3 PHE 39 -11.852 -4.587 -2.508 266 HD1 PHE 39 HD1 PHE 39 -10.576 -3.413 0.777 267 HD2 PHE 39 HD2 PHE 39 -10.210 -3.140 -3.494 268 HE1 PHE 39 HE1 PHE 39 -8.454 -2.159 1.040 269 HE2 PHE 39 HE2 PHE 39 -8.087 -1.893 -3.230 270 HZ PHE 39 HZ PHE 39 -7.209 -1.399 -0.963 271 H THR 40 H THR 40 -14.808 -2.393 -2.934 272 HA THR 40 HA THR 40 -16.589 -4.700 -2.398 273 HB THR 40 HB THR 40 -17.291 -1.938 -3.465 274 HG1 THR 40 HG1 THR 40 -17.830 -3.141 -0.953 275 HG21 THR 40 HG21 THR 40 -19.645 -2.783 -2.858 276 HG22 THR 40 HG22 THR 40 -18.932 -4.395 -2.824 277 HG23 THR 40 HG23 THR 40 -18.913 -3.454 -4.316 278 H TYR 41 H TYR 41 -17.031 -6.076 -4.055 279 HA TYR 41 HA TYR 41 -16.718 -5.202 -6.809 280 HB2 TYR 41 HB2 TYR 41 -15.111 -6.963 -7.408 281 HB3 TYR 41 HB3 TYR 41 -14.430 -5.840 -6.235 282 HD1 TYR 41 HD1 TYR 41 -15.705 -9.259 -6.770 283 HD2 TYR 41 HD2 TYR 41 -14.012 -6.525 -3.920 284 HE1 TYR 41 HE1 TYR 41 -15.241 -11.147 -5.232 285 HE2 TYR 41 HE2 TYR 41 -13.550 -8.415 -2.382 286 HH TYR 41 HH TYR 41 -14.915 -11.467 -2.759 287 H ALA 42 H ALA 42 -17.375 -6.778 -8.381 288 HA ALA 42 HA ALA 42 -19.222 -8.840 -7.330 289 HB1 ALA 42 HB1 ALA 42 -20.576 -8.260 -9.484 290 HB2 ALA 42 HB2 ALA 42 -19.719 -6.720 -9.400 291 HB3 ALA 42 HB3 ALA 42 -20.748 -7.231 -8.062 292 H SER 43 H SER 43 -19.068 -10.813 -8.282 293 HA SER 43 HA SER 43 -17.446 -11.045 -10.736 294 HB2 SER 43 HB2 SER 43 -17.100 -12.717 -8.246 295 HB3 SER 43 HB3 SER 43 -16.264 -12.954 -9.780 296 HG SER 43 HG SER 43 -16.170 -10.678 -8.080 297 H GLN 44 H GLN 44 -17.685 -13.001 -11.912 298 HA GLN 44 HA GLN 44 -20.121 -14.555 -11.325 299 HB2 GLN 44 HB2 GLN 44 -20.514 -12.843 -13.130 300 HB3 GLN 44 HB3 GLN 44 -19.291 -13.667 -14.099 301 HG2 GLN 44 HG2 GLN 44 -21.482 -14.495 -14.752 302 HG3 GLN 44 HG3 GLN 44 -20.626 -15.777 -13.893 303 HE21 GLN 44 HE21 GLN 44 -22.812 -13.014 -13.057 304 HE22 GLN 44 HE22 GLN 44 -23.719 -13.897 -11.926 305 H GLY 45 H GLY 45 -19.797 -16.688 -11.353 306 HA2 GLY 45 HA2 GLY 45 -18.389 -18.301 -13.046 307 HA3 GLY 45 HA3 GLY 45 -17.186 -17.775 -11.862 308 H GLY 46 H GLY 46 -17.356 -20.299 -11.635 309 HA2 GLY 46 HA2 GLY 46 -19.387 -20.913 -9.561 310 HA3 GLY 46 HA3 GLY 46 -18.790 -22.100 -10.714 311 H THR 47 H THR 47 -16.106 -20.334 -9.918 312 HA THR 47 HA THR 47 -15.489 -21.933 -7.499 313 HB THR 47 HB THR 47 -13.622 -21.581 -9.870 314 HG1 THR 47 HG1 THR 47 -14.638 -23.262 -10.579 315 HG21 THR 47 HG21 THR 47 -13.339 -23.262 -7.357 316 HG22 THR 47 HG22 THR 47 -12.497 -21.740 -7.646 317 HG23 THR 47 HG23 THR 47 -12.167 -23.139 -8.668 318 H ASN 48 H ASN 48 -14.544 -20.825 -5.891 319 HA ASN 48 HA ASN 48 -14.045 -18.011 -6.274 320 HB2 ASN 48 HB2 ASN 48 -13.690 -17.938 -3.847 321 HB3 ASN 48 HB3 ASN 48 -15.185 -18.786 -4.238 322 HD21 ASN 48 HD21 ASN 48 -14.862 -19.770 -2.001 323 HD22 ASN 48 HD22 ASN 48 -13.846 -21.122 -1.853 324 H GLU 49 H GLU 49 -11.983 -17.181 -4.920 325 HA GLU 49 HA GLU 49 -9.635 -18.816 -5.478 326 HB2 GLU 49 HB2 GLU 49 -10.111 -17.523 -7.559 327 HB3 GLU 49 HB3 GLU 49 -9.923 -16.039 -6.634 328 HG2 GLU 49 HG2 GLU 49 -7.837 -16.582 -7.801 329 HG3 GLU 49 HG3 GLU 49 -7.609 -16.662 -6.059 330 H GLN 50 H GLN 50 -7.761 -18.139 -4.425 331 HA GLN 50 HA GLN 50 -8.259 -16.481 -2.053 332 HB2 GLN 50 HB2 GLN 50 -6.090 -18.481 -2.705 333 HB3 GLN 50 HB3 GLN 50 -6.141 -17.527 -1.220 334 HG2 GLN 50 HG2 GLN 50 -8.327 -18.473 -0.656 335 HG3 GLN 50 HG3 GLN 50 -8.338 -19.394 -2.161 336 HE21 GLN 50 HE21 GLN 50 -8.176 -21.530 -1.321 337 HE22 GLN 50 HE22 GLN 50 -6.879 -22.062 -0.363 338 H TRP 51 H TRP 51 -7.541 -14.491 -1.978 339 HA TRP 51 HA TRP 51 -5.286 -13.653 -3.701 340 HB2 TRP 51 HB2 TRP 51 -7.765 -12.160 -2.849 341 HB3 TRP 51 HB3 TRP 51 -6.364 -11.357 -3.552 342 HD1 TRP 51 HD1 TRP 51 -8.628 -14.383 -4.444 343 HE1 TRP 51 HE1 TRP 51 -9.026 -14.349 -6.995 344 HE3 TRP 51 HE3 TRP 51 -5.820 -10.310 -5.729 345 HZ2 TRP 51 HZ2 TRP 51 -8.260 -12.798 -9.273 346 HZ3 TRP 51 HZ3 TRP 51 -5.675 -9.575 -8.093 347 HH2 TRP 51 HH2 TRP 51 -6.889 -10.809 -9.867 348 H GLN 52 H GLN 52 -3.794 -12.124 -2.849 349 HA GLN 52 HA GLN 52 -3.665 -12.170 0.101 350 HB2 GLN 52 HB2 GLN 52 -1.479 -11.503 -1.897 351 HB3 GLN 52 HB3 GLN 52 -1.290 -11.593 -0.149 352 HG2 GLN 52 HG2 GLN 52 -2.151 -13.913 -1.916 353 HG3 GLN 52 HG3 GLN 52 -0.529 -13.685 -1.270 354 HE21 GLN 52 HE21 GLN 52 -0.640 -13.287 1.317 355 HE22 GLN 52 HE22 GLN 52 -1.636 -14.383 2.146 356 H MET 53 H MET 53 -3.491 -10.338 1.295 357 HA MET 53 HA MET 53 -3.903 -7.772 -0.126 358 HB2 MET 53 HB2 MET 53 -4.883 -8.519 2.651 359 HB3 MET 53 HB3 MET 53 -5.165 -7.000 1.796 360 HG2 MET 53 HG2 MET 53 -6.427 -8.231 0.041 361 HG3 MET 53 HG3 MET 53 -6.145 -9.731 0.899 362 HE1 MET 53 HE1 MET 53 -8.724 -6.478 0.955 363 HE2 MET 53 HE2 MET 53 -7.021 -6.180 1.296 364 HE3 MET 53 HE3 MET 53 -8.206 -6.068 2.595 365 H SER 54 H SER 54 -2.814 -5.996 0.701 366 HA SER 54 HA SER 54 -0.886 -6.443 2.867 367 HB2 SER 54 HB2 SER 54 0.365 -6.883 0.817 368 HB3 SER 54 HB3 SER 54 -0.152 -5.334 0.160 369 HG SER 54 HG SER 54 1.337 -4.398 1.309 370 H LEU 55 H LEU 55 -0.966 -4.873 4.274 371 HA LEU 55 HA LEU 55 -1.688 -2.153 3.376 372 HB2 LEU 55 HB2 LEU 55 -2.944 -1.827 5.481 373 HB3 LEU 55 HB3 LEU 55 -3.690 -3.026 4.430 374 HG LEU 55 HG LEU 55 -1.722 -4.036 6.497 375 HD11 LEU 55 HD11 LEU 55 -4.554 -3.196 7.167 376 HD12 LEU 55 HD12 LEU 55 -3.079 -2.466 7.799 377 HD13 LEU 55 HD13 LEU 55 -3.490 -4.129 8.219 378 HD21 LEU 55 HD21 LEU 55 -3.329 -5.929 6.557 379 HD22 LEU 55 HD22 LEU 55 -2.816 -5.601 4.905 380 HD23 LEU 55 HD23 LEU 55 -4.397 -5.057 5.460 381 H GLY 56 H GLY 56 -0.559 -0.507 4.283 382 HA2 GLY 56 HA2 GLY 56 1.262 -1.055 6.514 383 HA3 GLY 56 HA3 GLY 56 1.987 -0.585 4.978 384 H THR 57 H THR 57 2.248 0.874 7.368 385 HA THR 57 HA THR 57 0.874 3.389 6.636 386 HB THR 57 HB THR 57 0.588 3.929 9.013 387 HG1 THR 57 HG1 THR 57 2.273 2.730 9.870 388 HG21 THR 57 HG21 THR 57 -0.562 1.170 8.688 389 HG22 THR 57 HG22 THR 57 -1.104 2.475 7.634 390 HG23 THR 57 HG23 THR 57 -1.308 2.605 9.381 391 H SER 58 H SER 58 1.939 5.325 7.354 392 HA SER 58 HA SER 58 4.771 5.287 6.986 393 HB2 SER 58 HB2 SER 58 3.465 7.213 6.264 394 HB3 SER 58 HB3 SER 58 2.914 7.486 7.917 395 HG SER 58 HG SER 58 5.590 7.579 6.952 396 H GLU 59 H GLU 59 6.369 6.013 8.519 397 HA GLU 59 HA GLU 59 6.306 4.675 10.967 398 HB2 GLU 59 HB2 GLU 59 8.331 5.971 11.545 399 HB3 GLU 59 HB3 GLU 59 8.402 5.367 9.891 400 HG2 GLU 59 HG2 GLU 59 7.595 7.591 9.080 401 HG3 GLU 59 HG3 GLU 59 7.647 8.185 10.741 402 H ASP 60 H ASP 60 5.125 7.855 10.147 403 HA ASP 60 HA ASP 60 4.580 8.485 12.980 404 HB2 ASP 60 HB2 ASP 60 4.401 10.254 10.533 405 HB3 ASP 60 HB3 ASP 60 4.089 10.761 12.196 406 H HIS 61 H HIS 61 3.056 6.846 10.596 407 HA HIS 61 HA HIS 61 0.908 6.200 10.177 408 HB2 HIS 61 HB2 HIS 61 0.275 7.678 12.751 409 HB3 HIS 61 HB3 HIS 61 -0.801 6.557 11.919 410 HD2 HIS 61 HD2 HIS 61 2.386 4.704 11.570 411 HE1 HIS 61 HE1 HIS 61 1.195 3.764 15.509 412 HE2 HIS 61 HE2 HIS 61 2.748 3.113 13.607 413 H GLN 62 H GLN 62 1.996 8.878 9.310 414 HA GLN 62 HA GLN 62 -0.327 10.592 9.099 415 HB2 GLN 62 HB2 GLN 62 1.161 12.065 7.775 416 HB3 GLN 62 HB3 GLN 62 1.860 11.634 9.337 417 HG2 GLN 62 HG2 GLN 62 3.265 9.953 8.310 418 HG3 GLN 62 HG3 GLN 62 2.485 10.199 6.751 419 HE21 GLN 62 HE21 GLN 62 5.285 10.937 8.348 420 HE22 GLN 62 HE22 GLN 62 5.660 12.417 7.612 421 H HIS 63 H HIS 63 1.309 8.217 7.104 422 HA HIS 63 HA HIS 63 -0.701 8.666 4.979 423 HB2 HIS 63 HB2 HIS 63 2.169 7.760 4.701 424 HB3 HIS 63 HB3 HIS 63 0.974 7.640 3.408 425 HD2 HIS 63 HD2 HIS 63 3.430 10.227 4.767 426 HE1 HIS 63 HE1 HIS 63 0.646 12.354 2.423 427 HE2 HIS 63 HE2 HIS 63 2.882 12.501 3.614 428 H PHE 64 H PHE 64 -1.783 6.943 4.159 429 HA PHE 64 HA PHE 64 -1.210 4.280 5.326 430 HB2 PHE 64 HB2 PHE 64 -3.921 5.558 4.910 431 HB3 PHE 64 HB3 PHE 64 -3.660 3.877 5.382 432 HD1 PHE 64 HD1 PHE 64 -3.414 7.397 6.447 433 HD2 PHE 64 HD2 PHE 64 -2.843 3.306 7.604 434 HE1 PHE 64 HE1 PHE 64 -3.218 8.094 8.821 435 HE2 PHE 64 HE2 PHE 64 -2.643 4.002 9.977 436 HZ PHE 64 HZ PHE 64 -2.832 6.398 10.583 437 H THR 65 H THR 65 -1.361 2.540 3.966 438 HA THR 65 HA THR 65 -2.295 3.022 1.206 439 HB THR 65 HB THR 65 -0.405 1.684 0.345 440 HG1 THR 65 HG1 THR 65 0.651 1.936 2.956 441 HG21 THR 65 HG21 THR 65 1.248 3.410 0.501 442 HG22 THR 65 HG22 THR 65 0.599 3.976 2.041 443 HG23 THR 65 HG23 THR 65 -0.329 4.197 0.557 444 H CYS 66 H CYS 66 -3.197 1.286 0.143 445 HA CYS 66 HA CYS 66 -3.454 -1.277 1.589 446 HB2 CYS 66 HB2 CYS 66 -5.880 -0.293 0.123 447 HB3 CYS 66 HB3 CYS 66 -5.748 -1.381 1.503 448 H THR 67 H THR 67 -3.110 -3.001 0.248 449 HA THR 67 HA THR 67 -3.406 -2.592 -2.664 450 HB THR 67 HB THR 67 -0.975 -3.748 -1.322 451 HG1 THR 67 HG1 THR 67 -1.005 -1.533 -1.076 452 HG21 THR 67 HG21 THR 67 -1.145 -2.930 -4.215 453 HG22 THR 67 HG22 THR 67 -1.724 -4.522 -3.731 454 HG23 THR 67 HG23 THR 67 -0.043 -4.074 -3.456 455 H ILE 68 H ILE 68 -4.281 -4.273 -3.716 456 HA ILE 68 HA ILE 68 -4.228 -6.944 -2.422 457 HB ILE 68 HB ILE 68 -6.694 -5.725 -3.719 458 HG12 ILE 68 HG12 ILE 68 -6.176 -6.419 -0.794 459 HG13 ILE 68 HG13 ILE 68 -6.035 -4.796 -1.453 460 HG21 ILE 68 HG21 ILE 68 -6.557 -8.171 -4.039 461 HG22 ILE 68 HG22 ILE 68 -7.799 -7.804 -2.844 462 HG23 ILE 68 HG23 ILE 68 -6.221 -8.398 -2.321 463 HD11 ILE 68 HD11 ILE 68 -8.521 -6.486 -1.181 464 HD12 ILE 68 HD12 ILE 68 -8.453 -5.123 -2.297 465 HD13 ILE 68 HD13 ILE 68 -8.216 -4.863 -0.567 466 H TRP 69 H TRP 69 -3.543 -8.537 -3.741 467 HA TRP 69 HA TRP 69 -4.114 -8.429 -6.607 468 HB2 TRP 69 HB2 TRP 69 -1.821 -8.495 -7.388 469 HB3 TRP 69 HB3 TRP 69 -2.017 -7.082 -6.361 470 HD1 TRP 69 HD1 TRP 69 -0.122 -10.312 -6.659 471 HE1 TRP 69 HE1 TRP 69 1.524 -10.547 -4.688 472 HE3 TRP 69 HE3 TRP 69 -1.717 -6.460 -3.736 473 HZ2 TRP 69 HZ2 TRP 69 2.081 -9.270 -2.200 474 HZ3 TRP 69 HZ3 TRP 69 -0.618 -5.989 -1.571 475 HH2 TRP 69 HH2 TRP 69 1.283 -7.395 -0.798 476 H ARG 70 H ARG 70 -3.300 -10.328 -7.801 477 HA ARG 70 HA ARG 70 -3.848 -12.792 -6.419 478 HB2 ARG 70 HB2 ARG 70 -4.609 -12.312 -8.748 479 HB3 ARG 70 HB3 ARG 70 -2.928 -12.246 -9.256 480 HG2 ARG 70 HG2 ARG 70 -3.521 -14.449 -9.802 481 HG3 ARG 70 HG3 ARG 70 -2.759 -14.648 -8.221 482 HD2 ARG 70 HD2 ARG 70 -4.851 -14.837 -7.122 483 HD3 ARG 70 HD3 ARG 70 -5.733 -14.240 -8.525 484 HE ARG 70 HE ARG 70 -5.517 -16.354 -9.553 485 HH11 ARG 70 HH11 ARG 70 -3.763 -16.317 -6.508 486 HH12 ARG 70 HH12 ARG 70 -3.574 -18.036 -6.467 487 HH21 ARG 70 HH21 ARG 70 -5.247 -18.581 -9.456 488 HH22 ARG 70 HH22 ARG 70 -4.412 -19.310 -8.128 489 HA PRO 71 HA PRO 71 0.625 -13.194 -5.462 490 HB2 PRO 71 HB2 PRO 71 0.601 -15.649 -4.307 491 HB3 PRO 71 HB3 PRO 71 0.019 -14.181 -3.485 492 HG2 PRO 71 HG2 PRO 71 -1.560 -16.298 -4.871 493 HG3 PRO 71 HG3 PRO 71 -1.850 -15.519 -3.301 494 HD2 PRO 71 HD2 PRO 71 -3.183 -14.758 -5.527 495 HD3 PRO 71 HD3 PRO 71 -2.738 -13.598 -4.256 496 H GLN 72 H GLN 72 -1.227 -15.796 -6.986 497 HA GLN 72 HA GLN 72 0.983 -17.169 -8.145 498 HB2 GLN 72 HB2 GLN 72 -1.974 -17.190 -8.724 499 HB3 GLN 72 HB3 GLN 72 -0.823 -18.215 -9.595 500 HG2 GLN 72 HG2 GLN 72 -0.072 -19.175 -7.437 501 HG3 GLN 72 HG3 GLN 72 -1.254 -18.174 -6.589 502 HE21 GLN 72 HE21 GLN 72 -2.679 -19.820 -5.848 503 HE22 GLN 72 HE22 GLN 72 -3.514 -20.868 -6.890 504 H GLY 73 H GLY 73 -1.159 -14.628 -9.271 505 HA2 GLY 73 HA2 GLY 73 0.176 -13.042 -10.799 506 HA3 GLY 73 HA3 GLY 73 0.304 -14.468 -11.828 507 H LYS 74 H LYS 74 -2.088 -15.593 -11.947 508 HA LYS 74 HA LYS 74 -4.101 -13.515 -12.436 509 HB2 LYS 74 HB2 LYS 74 -4.617 -14.470 -14.662 510 HB3 LYS 74 HB3 LYS 74 -3.004 -13.763 -14.586 511 HG2 LYS 74 HG2 LYS 74 -2.068 -16.057 -14.179 512 HG3 LYS 74 HG3 LYS 74 -3.691 -16.721 -14.397 513 HD2 LYS 74 HD2 LYS 74 -2.352 -15.007 -16.503 514 HD3 LYS 74 HD3 LYS 74 -2.171 -16.761 -16.463 515 HE2 LYS 74 HE2 LYS 74 -4.654 -16.987 -16.554 516 HE3 LYS 74 HE3 LYS 74 -4.782 -15.231 -16.701 517 HZ1 LYS 74 HZ1 LYS 74 -3.039 -16.694 -18.556 518 HZ2 LYS 74 HZ2 LYS 74 -3.896 -15.246 -18.791 519 HZ3 LYS 74 HZ3 LYS 74 -4.714 -16.735 -18.811 520 H SER 75 H SER 75 -6.224 -14.187 -12.411 521 HA SER 75 HA SER 75 -6.726 -16.951 -11.486 522 HB2 SER 75 HB2 SER 75 -7.151 -15.351 -9.678 523 HB3 SER 75 HB3 SER 75 -8.178 -14.401 -10.745 524 HG SER 75 HG SER 75 -9.611 -16.123 -10.834 525 H TYR 76 H TYR 76 -8.325 -18.109 -12.548 526 HA TYR 76 HA TYR 76 -9.395 -16.907 -14.983 527 HB2 TYR 76 HB2 TYR 76 -9.527 -19.717 -13.862 528 HB3 TYR 76 HB3 TYR 76 -10.327 -19.228 -15.358 529 HD1 TYR 76 HD1 TYR 76 -7.101 -19.870 -13.718 530 HD2 TYR 76 HD2 TYR 76 -9.028 -18.587 -17.336 531 HE1 TYR 76 HE1 TYR 76 -4.976 -20.176 -14.960 532 HE2 TYR 76 HE2 TYR 76 -6.903 -18.893 -18.577 533 HH TYR 76 HH TYR 76 -4.834 -20.106 -18.395 534 H LEU 77 H LEU 77 -10.805 -15.378 -14.098 535 HA LEU 77 HA LEU 77 -13.422 -16.454 -13.353 536 HB2 LEU 77 HB2 LEU 77 -11.783 -14.580 -11.681 537 HB3 LEU 77 HB3 LEU 77 -13.542 -14.425 -11.676 538 HG LEU 77 HG LEU 77 -12.158 -17.083 -11.182 539 HD11 LEU 77 HD11 LEU 77 -13.151 -15.156 -9.061 540 HD12 LEU 77 HD12 LEU 77 -11.453 -15.294 -9.517 541 HD13 LEU 77 HD13 LEU 77 -12.291 -16.676 -8.811 542 HD21 LEU 77 HD21 LEU 77 -14.405 -17.419 -9.955 543 HD22 LEU 77 HD22 LEU 77 -14.473 -17.353 -11.711 544 HD23 LEU 77 HD23 LEU 77 -14.940 -15.946 -10.760 545 H TYR 78 H TYR 78 -15.176 -15.145 -13.855 546 HA TYR 78 HA TYR 78 -14.585 -12.969 -15.754 547 HB2 TYR 78 HB2 TYR 78 -16.045 -14.886 -16.495 548 HB3 TYR 78 HB3 TYR 78 -17.225 -14.380 -15.285 549 HD1 TYR 78 HD1 TYR 78 -15.456 -13.379 -18.388 550 HD2 TYR 78 HD2 TYR 78 -18.595 -12.427 -15.614 551 HE1 TYR 78 HE1 TYR 78 -16.341 -11.686 -19.971 552 HE2 TYR 78 HE2 TYR 78 -19.479 -10.736 -17.196 553 HH TYR 78 HH TYR 78 -17.718 -9.771 -20.032 554 H PHE 79 H PHE 79 -14.212 -11.290 -14.356 555 HA PHE 79 HA PHE 79 -15.907 -10.776 -12.085 556 HB2 PHE 79 HB2 PHE 79 -13.675 -9.181 -13.348 557 HB3 PHE 79 HB3 PHE 79 -14.524 -8.701 -11.876 558 HD1 PHE 79 HD1 PHE 79 -12.155 -11.073 -13.369 559 HD2 PHE 79 HD2 PHE 79 -14.302 -10.008 -9.806 560 HE1 PHE 79 HE1 PHE 79 -10.672 -12.543 -12.036 561 HE2 PHE 79 HE2 PHE 79 -12.818 -11.482 -8.472 562 HZ PHE 79 HZ PHE 79 -11.003 -12.749 -9.588 563 H THR 80 H THR 80 -17.579 -9.398 -11.906 564 HA THR 80 HA THR 80 -18.764 -8.298 -14.286 565 HB THR 80 HB THR 80 -19.518 -7.910 -11.371 566 HG1 THR 80 HG1 THR 80 -20.534 -9.670 -13.351 567 HG21 THR 80 HG21 THR 80 -21.759 -7.336 -12.318 568 HG22 THR 80 HG22 THR 80 -21.059 -7.389 -13.934 569 HG23 THR 80 HG23 THR 80 -20.513 -6.175 -12.777 570 H GLN 81 H GLN 81 -17.105 -6.989 -11.438 571 HA GLN 81 HA GLN 81 -15.851 -4.880 -12.767 572 HB2 GLN 81 HB2 GLN 81 -17.106 -2.911 -11.914 573 HB3 GLN 81 HB3 GLN 81 -18.048 -3.856 -13.069 574 HG2 GLN 81 HG2 GLN 81 -19.166 -5.005 -11.145 575 HG3 GLN 81 HG3 GLN 81 -18.279 -3.952 -10.041 576 HE21 GLN 81 HE21 GLN 81 -21.251 -4.252 -11.480 577 HE22 GLN 81 HE22 GLN 81 -21.704 -2.617 -11.530 578 H PHE 82 H PHE 82 -14.957 -3.213 -11.184 579 HA PHE 82 HA PHE 82 -14.581 -4.436 -8.507 580 HB2 PHE 82 HB2 PHE 82 -12.471 -3.078 -10.184 581 HB3 PHE 82 HB3 PHE 82 -12.271 -3.704 -8.546 582 HD1 PHE 82 HD1 PHE 82 -12.595 -4.588 -12.092 583 HD2 PHE 82 HD2 PHE 82 -12.255 -6.129 -8.097 584 HE1 PHE 82 HE1 PHE 82 -12.041 -6.825 -13.003 585 HE2 PHE 82 HE2 PHE 82 -11.703 -8.368 -9.010 586 HZ PHE 82 HZ PHE 82 -11.592 -8.713 -11.465 587 H LYS 83 H LYS 83 -14.375 -3.002 -6.787 588 HA LYS 83 HA LYS 83 -14.417 -0.117 -7.339 589 HB2 LYS 83 HB2 LYS 83 -16.480 -1.413 -5.509 590 HB3 LYS 83 HB3 LYS 83 -16.332 0.296 -5.913 591 HG2 LYS 83 HG2 LYS 83 -16.766 -0.213 -8.288 592 HG3 LYS 83 HG3 LYS 83 -16.925 -1.918 -7.887 593 HD2 LYS 83 HD2 LYS 83 -18.808 -1.410 -6.375 594 HD3 LYS 83 HD3 LYS 83 -18.698 0.295 -6.824 595 HE2 LYS 83 HE2 LYS 83 -19.074 -0.296 -9.168 596 HE3 LYS 83 HE3 LYS 83 -19.209 -1.995 -8.741 597 HZ1 LYS 83 HZ1 LYS 83 -21.219 -0.036 -8.684 598 HZ2 LYS 83 HZ2 LYS 83 -20.960 -0.544 -7.085 599 HZ3 LYS 83 HZ3 LYS 83 -21.345 -1.677 -8.291 600 H ALA 84 H ALA 84 -13.441 1.112 -5.718 601 HA ALA 84 HA ALA 84 -12.671 -0.226 -3.222 602 HB1 ALA 84 HB1 ALA 84 -10.655 1.083 -5.055 603 HB2 ALA 84 HB2 ALA 84 -10.820 -0.653 -4.792 604 HB3 ALA 84 HB3 ALA 84 -10.327 0.400 -3.464 605 H GLU 85 H GLU 85 -12.527 1.084 -1.502 606 HA GLU 85 HA GLU 85 -12.216 3.935 -1.779 607 HB2 GLU 85 HB2 GLU 85 -14.353 4.532 -0.695 608 HB3 GLU 85 HB3 GLU 85 -14.624 3.701 -2.224 609 HG2 GLU 85 HG2 GLU 85 -14.978 1.560 -0.999 610 HG3 GLU 85 HG3 GLU 85 -14.752 2.417 0.526 611 H VAL 86 H VAL 86 -12.161 5.001 0.413 612 HA VAL 86 HA VAL 86 -11.390 3.090 2.547 613 HB VAL 86 HB VAL 86 -9.586 4.631 3.224 614 HG11 VAL 86 HG11 VAL 86 -9.105 2.709 1.752 615 HG12 VAL 86 HG12 VAL 86 -8.046 4.067 1.376 616 HG13 VAL 86 HG13 VAL 86 -9.423 3.709 0.334 617 HG21 VAL 86 HG21 VAL 86 -10.512 6.130 0.761 618 HG22 VAL 86 HG22 VAL 86 -8.868 6.315 1.373 619 HG23 VAL 86 HG23 VAL 86 -10.241 6.759 2.385 620 H ARG 87 H ARG 87 -11.460 3.985 4.735 621 HA ARG 87 HA ARG 87 -13.361 6.239 4.992 622 HB2 ARG 87 HB2 ARG 87 -13.420 3.672 6.587 623 HB3 ARG 87 HB3 ARG 87 -14.468 5.064 6.851 624 HG2 ARG 87 HG2 ARG 87 -14.338 3.560 4.216 625 HG3 ARG 87 HG3 ARG 87 -15.510 3.192 5.479 626 HD2 ARG 87 HD2 ARG 87 -15.205 5.883 4.097 627 HD3 ARG 87 HD3 ARG 87 -16.469 4.701 3.772 628 HE ARG 87 HE ARG 87 -16.295 6.474 6.077 629 HH11 ARG 87 HH11 ARG 87 -17.749 3.553 4.769 630 HH12 ARG 87 HH12 ARG 87 -19.094 3.588 5.863 631 HH21 ARG 87 HH21 ARG 87 -18.069 6.480 7.482 632 HH22 ARG 87 HH22 ARG 87 -19.269 5.235 7.387 633 H GLY 88 H GLY 88 -13.209 7.518 6.802 634 HA2 GLY 88 HA2 GLY 88 -12.282 8.411 8.741 635 HA3 GLY 88 HA3 GLY 88 -11.161 7.054 8.800 636 H ALA 89 H ALA 89 -10.998 8.258 5.687 637 HA ALA 89 HA ALA 89 -9.295 10.534 6.121 638 HB1 ALA 89 HB1 ALA 89 -7.717 8.444 4.785 639 HB2 ALA 89 HB2 ALA 89 -8.015 8.170 6.500 640 HB3 ALA 89 HB3 ALA 89 -7.240 9.657 5.968 641 H GLU 90 H GLU 90 -8.070 11.074 4.005 642 HA GLU 90 HA GLU 90 -9.985 10.736 1.783 643 HB2 GLU 90 HB2 GLU 90 -9.008 12.813 0.852 644 HB3 GLU 90 HB3 GLU 90 -9.669 13.070 2.463 645 HG2 GLU 90 HG2 GLU 90 -7.363 12.780 3.408 646 HG3 GLU 90 HG3 GLU 90 -6.742 12.662 1.762 647 H ILE 91 H ILE 91 -9.254 10.254 -0.294 648 HA ILE 91 HA ILE 91 -6.855 8.606 -0.353 649 HB ILE 91 HB ILE 91 -8.976 9.071 -2.488 650 HG12 ILE 91 HG12 ILE 91 -8.560 6.641 -0.713 651 HG13 ILE 91 HG13 ILE 91 -9.676 7.941 -0.290 652 HG21 ILE 91 HG21 ILE 91 -6.990 8.301 -3.603 653 HG22 ILE 91 HG22 ILE 91 -7.984 6.863 -3.376 654 HG23 ILE 91 HG23 ILE 91 -6.615 7.165 -2.306 655 HD11 ILE 91 HD11 ILE 91 -10.917 6.169 -1.413 656 HD12 ILE 91 HD12 ILE 91 -9.791 6.198 -2.771 657 HD13 ILE 91 HD13 ILE 91 -10.849 7.577 -2.472 658 H GLU 92 H GLU 92 -4.976 9.147 -1.197 659 HA GLU 92 HA GLU 92 -4.576 11.774 -2.366 660 HB2 GLU 92 HB2 GLU 92 -2.647 9.505 -1.801 661 HB3 GLU 92 HB3 GLU 92 -2.185 11.104 -2.392 662 HG2 GLU 92 HG2 GLU 92 -3.148 12.140 -0.380 663 HG3 GLU 92 HG3 GLU 92 -3.636 10.549 0.212 664 H TYR 93 H TYR 93 -4.421 8.369 -3.347 665 HA TYR 93 HA TYR 93 -5.080 8.985 -6.047 666 HB2 TYR 93 HB2 TYR 93 -2.587 9.550 -5.894 667 HB3 TYR 93 HB3 TYR 93 -2.316 7.820 -5.694 668 HD1 TYR 93 HD1 TYR 93 -3.557 10.443 -7.988 669 HD2 TYR 93 HD2 TYR 93 -2.641 6.270 -7.536 670 HE1 TYR 93 HE1 TYR 93 -3.735 10.140 -10.440 671 HE2 TYR 93 HE2 TYR 93 -2.826 5.972 -9.993 672 HH TYR 93 HH TYR 93 -2.966 8.620 -12.164 673 H ALA 94 H ALA 94 -6.056 7.265 -6.945 674 HA ALA 94 HA ALA 94 -5.590 4.581 -5.780 675 HB1 ALA 94 HB1 ALA 94 -7.825 5.794 -5.189 676 HB2 ALA 94 HB2 ALA 94 -7.881 4.114 -5.722 677 HB3 ALA 94 HB3 ALA 94 -8.273 5.410 -6.851 678 H MET 95 H MET 95 -5.257 2.966 -7.225 679 HA MET 95 HA MET 95 -6.179 3.100 -9.940 680 HB2 MET 95 HB2 MET 95 -4.006 3.148 -11.056 681 HB3 MET 95 HB3 MET 95 -4.208 4.600 -10.076 682 HG2 MET 95 HG2 MET 95 -2.845 3.585 -8.273 683 HG3 MET 95 HG3 MET 95 -2.651 2.124 -9.244 684 HE1 MET 95 HE1 MET 95 -1.796 1.947 -11.379 685 HE2 MET 95 HE2 MET 95 -0.407 2.825 -12.016 686 HE3 MET 95 HE3 MET 95 -2.030 3.406 -12.355 687 H ALA 96 H ALA 96 -5.253 1.232 -11.246 688 HA ALA 96 HA ALA 96 -4.598 -1.083 -9.550 689 HB1 ALA 96 HB1 ALA 96 -6.844 -0.882 -11.554 690 HB2 ALA 96 HB2 ALA 96 -6.934 -1.359 -9.861 691 HB3 ALA 96 HB3 ALA 96 -6.172 -2.427 -11.039 692 H TYR 97 H TYR 97 -3.329 -2.652 -10.545 693 HA TYR 97 HA TYR 97 -2.147 -1.841 -13.140 694 HB2 TYR 97 HB2 TYR 97 -1.020 -3.407 -10.848 695 HB3 TYR 97 HB3 TYR 97 -0.217 -3.285 -12.409 696 HD1 TYR 97 HD1 TYR 97 -0.861 -1.650 -9.236 697 HD2 TYR 97 HD2 TYR 97 0.404 -0.982 -13.286 698 HE1 TYR 97 HE1 TYR 97 0.136 0.519 -8.570 699 HE2 TYR 97 HE2 TYR 97 1.400 1.184 -12.618 700 HH TYR 97 HH TYR 97 2.343 2.095 -10.177 701 H SER 98 H SER 98 -3.100 -2.956 -14.739 702 HA SER 98 HA SER 98 -4.234 -5.549 -14.484 703 HB2 SER 98 HB2 SER 98 -3.336 -4.028 -16.946 704 HB3 SER 98 HB3 SER 98 -4.254 -5.532 -16.971 705 HG SER 98 HG SER 98 -5.319 -3.261 -16.939 706 H LYS 99 H LYS 99 -1.090 -4.374 -15.555 707 HA LYS 99 HA LYS 99 0.027 -7.078 -15.252 708 HB2 LYS 99 HB2 LYS 99 -0.455 -6.678 -17.680 709 HB3 LYS 99 HB3 LYS 99 0.615 -5.280 -17.626 710 HG2 LYS 99 HG2 LYS 99 1.951 -7.077 -18.460 711 HG3 LYS 99 HG3 LYS 99 2.426 -6.881 -16.771 712 HD2 LYS 99 HD2 LYS 99 1.058 -8.753 -16.095 713 HD3 LYS 99 HD3 LYS 99 0.336 -8.872 -17.699 714 HE2 LYS 99 HE2 LYS 99 2.056 -10.581 -17.483 715 HE3 LYS 99 HE3 LYS 99 2.600 -9.361 -18.635 716 HZ1 LYS 99 HZ1 LYS 99 4.239 -10.094 -16.869 717 HZ2 LYS 99 HZ2 LYS 99 3.291 -9.219 -15.764 718 HZ3 LYS 99 HZ3 LYS 99 4.035 -8.424 -17.069 719 H ALA 100 H ALA 100 1.899 -7.064 -14.126 720 HA ALA 100 HA ALA 100 2.965 -4.529 -13.191 721 HB1 ALA 100 HB1 ALA 100 4.217 -7.168 -12.535 722 HB2 ALA 100 HB2 ALA 100 2.641 -6.762 -11.854 723 HB3 ALA 100 HB3 ALA 100 4.034 -5.733 -11.526 724 H ALA 101 H ALA 101 4.757 -3.525 -13.869 725 HA ALA 101 HA ALA 101 6.059 -4.289 -16.267 726 HB1 ALA 101 HB1 ALA 101 6.359 -2.107 -14.279 727 HB2 ALA 101 HB2 ALA 101 6.190 -2.027 -16.028 728 HB3 ALA 101 HB3 ALA 101 7.746 -2.425 -15.318 729 H PHE 102 H PHE 102 7.746 -5.455 -16.672 730 HA PHE 102 HA PHE 102 9.600 -6.217 -14.507 731 HB2 PHE 102 HB2 PHE 102 8.818 -7.820 -16.963 732 HB3 PHE 102 HB3 PHE 102 10.111 -8.253 -15.846 733 HD1 PHE 102 HD1 PHE 102 6.462 -7.984 -16.284 734 HD2 PHE 102 HD2 PHE 102 9.635 -8.957 -13.555 735 HE1 PHE 102 HE1 PHE 102 4.825 -9.058 -14.756 736 HE2 PHE 102 HE2 PHE 102 8.002 -10.028 -12.033 737 HZ PHE 102 HZ PHE 102 5.596 -10.081 -12.631 738 H GLU 103 H GLU 103 11.839 -6.730 -15.449 739 HA GLU 103 HA GLU 103 12.895 -4.430 -16.651 740 HB2 GLU 103 HB2 GLU 103 14.236 -6.078 -15.354 741 HB3 GLU 103 HB3 GLU 103 14.084 -7.226 -16.687 742 HG2 GLU 103 HG2 GLU 103 15.248 -5.667 -18.194 743 HG3 GLU 103 HG3 GLU 103 15.351 -4.467 -16.906 744 H ARG 104 H ARG 104 11.778 -7.469 -18.079 745 HA ARG 104 HA ARG 104 12.370 -6.484 -20.785 746 HB2 ARG 104 HB2 ARG 104 11.599 -9.215 -19.752 747 HB3 ARG 104 HB3 ARG 104 11.803 -8.825 -21.463 748 HG2 ARG 104 HG2 ARG 104 14.114 -8.266 -21.151 749 HG3 ARG 104 HG3 ARG 104 13.958 -8.327 -19.393 750 HD2 ARG 104 HD2 ARG 104 15.022 -10.377 -20.191 751 HD3 ARG 104 HD3 ARG 104 13.428 -10.748 -19.547 752 HE ARG 104 HE ARG 104 13.314 -10.263 -22.369 753 HH11 ARG 104 HH11 ARG 104 14.213 -12.711 -20.013 754 HH12 ARG 104 HH12 ARG 104 13.947 -14.032 -21.101 755 HH21 ARG 104 HH21 ARG 104 12.992 -12.016 -23.761 756 HH22 ARG 104 HH22 ARG 104 13.258 -13.638 -23.210 757 H GLU 105 H GLU 105 9.873 -6.069 -18.706 758 HA GLU 105 HA GLU 105 7.846 -6.150 -20.864 759 HB2 GLU 105 HB2 GLU 105 7.301 -6.850 -17.965 760 HB3 GLU 105 HB3 GLU 105 6.137 -6.850 -19.282 761 HG2 GLU 105 HG2 GLU 105 7.460 -8.604 -20.448 762 HG3 GLU 105 HG3 GLU 105 8.581 -8.637 -19.089 763 H SER 106 H SER 106 5.806 -4.856 -20.087 764 HA SER 106 HA SER 106 6.707 -2.338 -18.811 765 HB2 SER 106 HB2 SER 106 5.282 -1.104 -20.376 766 HB3 SER 106 HB3 SER 106 6.490 -2.052 -21.240 767 HG SER 106 HG SER 106 3.734 -2.596 -20.845 768 H ASP 107 H ASP 107 5.069 -1.093 -17.748 769 HA ASP 107 HA ASP 107 3.143 -2.742 -16.337 770 HB2 ASP 107 HB2 ASP 107 4.537 -1.110 -15.108 771 HB3 ASP 107 HB3 ASP 107 3.784 0.201 -16.011 772 H VAL 108 H VAL 108 1.119 -3.022 -17.016 773 HA VAL 108 HA VAL 108 -0.156 -0.882 -18.628 774 HB VAL 108 HB VAL 108 -0.926 -3.817 -18.388 775 HG11 VAL 108 HG11 VAL 108 -2.007 -1.612 -20.177 776 HG12 VAL 108 HG12 VAL 108 -2.864 -2.341 -18.820 777 HG13 VAL 108 HG13 VAL 108 -2.485 -3.308 -20.247 778 HG21 VAL 108 HG21 VAL 108 -0.068 -4.042 -20.655 779 HG22 VAL 108 HG22 VAL 108 1.202 -3.328 -19.661 780 HG23 VAL 108 HG23 VAL 108 0.257 -2.311 -20.749 781 HA PRO 109 HA PRO 109 -2.607 -0.596 -14.720 782 HB2 PRO 109 HB2 PRO 109 -3.012 2.000 -14.639 783 HB3 PRO 109 HB3 PRO 109 -1.366 1.360 -14.412 784 HG2 PRO 109 HG2 PRO 109 -2.583 2.601 -16.841 785 HG3 PRO 109 HG3 PRO 109 -0.963 2.829 -16.152 786 HD2 PRO 109 HD2 PRO 109 -1.587 1.099 -18.264 787 HD3 PRO 109 HD3 PRO 109 -0.114 1.014 -17.269 788 H LEU 110 H LEU 110 -4.844 -0.347 -14.281 789 HA LEU 110 HA LEU 110 -6.647 -0.398 -16.546 790 HB2 LEU 110 HB2 LEU 110 -7.150 -0.350 -13.564 791 HB3 LEU 110 HB3 LEU 110 -8.452 -0.332 -14.754 792 HG LEU 110 HG LEU 110 -6.297 -2.474 -14.653 793 HD11 LEU 110 HD11 LEU 110 -8.327 -3.859 -13.766 794 HD12 LEU 110 HD12 LEU 110 -9.011 -2.299 -13.330 795 HD13 LEU 110 HD13 LEU 110 -7.475 -2.812 -12.638 796 HD21 LEU 110 HD21 LEU 110 -8.145 -3.703 -15.993 797 HD22 LEU 110 HD22 LEU 110 -7.293 -2.409 -16.836 798 HD23 LEU 110 HD23 LEU 110 -8.902 -2.119 -16.176 799 H LYS 111 H LYS 111 -8.320 1.132 -17.003 800 HA LYS 111 HA LYS 111 -7.446 3.842 -16.834 801 HB2 LYS 111 HB2 LYS 111 -8.744 2.811 -18.738 802 HB3 LYS 111 HB3 LYS 111 -10.163 2.828 -17.686 803 HG2 LYS 111 HG2 LYS 111 -10.134 5.208 -17.522 804 HG3 LYS 111 HG3 LYS 111 -8.525 5.311 -18.241 805 HD2 LYS 111 HD2 LYS 111 -10.862 4.130 -19.761 806 HD3 LYS 111 HD3 LYS 111 -10.535 5.861 -19.771 807 HE2 LYS 111 HE2 LYS 111 -9.289 5.259 -21.612 808 HE3 LYS 111 HE3 LYS 111 -8.050 5.007 -20.392 809 HZ1 LYS 111 HZ1 LYS 111 -9.647 2.679 -20.598 810 HZ2 LYS 111 HZ2 LYS 111 -7.992 2.869 -20.925 811 HZ3 LYS 111 HZ3 LYS 111 -9.137 3.139 -22.147 812 H THR 112 H THR 112 -7.935 5.335 -15.374 813 HA THR 112 HA THR 112 -9.206 4.730 -12.924 814 HB THR 112 HB THR 112 -8.655 7.457 -14.159 815 HG1 THR 112 HG1 THR 112 -7.147 5.819 -12.398 816 HG21 THR 112 HG21 THR 112 -8.617 8.201 -11.770 817 HG22 THR 112 HG22 THR 112 -9.181 6.601 -11.293 818 HG23 THR 112 HG23 THR 112 -10.208 7.638 -12.282 819 H GLU 113 H GLU 113 -10.335 6.239 -15.885 820 HA GLU 113 HA GLU 113 -12.796 7.253 -14.999 821 HB2 GLU 113 HB2 GLU 113 -11.892 6.350 -17.731 822 HB3 GLU 113 HB3 GLU 113 -13.424 7.170 -17.428 823 HG2 GLU 113 HG2 GLU 113 -12.214 9.063 -16.420 824 HG3 GLU 113 HG3 GLU 113 -10.679 8.255 -16.740 825 H GLU 114 H GLU 114 -11.885 3.950 -15.602 826 HA GLU 114 HA GLU 114 -14.415 2.962 -16.381 827 HB2 GLU 114 HB2 GLU 114 -13.511 0.762 -16.107 828 HB3 GLU 114 HB3 GLU 114 -12.168 1.774 -16.606 829 HG2 GLU 114 HG2 GLU 114 -11.758 2.032 -14.015 830 HG3 GLU 114 HG3 GLU 114 -12.753 0.581 -13.927 831 H PHE 115 H PHE 115 -13.302 4.001 -13.283 832 HA PHE 115 HA PHE 115 -15.932 3.510 -12.170 833 HB2 PHE 115 HB2 PHE 115 -15.214 2.368 -10.140 834 HB3 PHE 115 HB3 PHE 115 -14.746 1.414 -11.547 835 HD1 PHE 115 HD1 PHE 115 -13.510 3.616 -8.845 836 HD2 PHE 115 HD2 PHE 115 -12.408 1.096 -12.128 837 HE1 PHE 115 HE1 PHE 115 -11.152 3.648 -8.077 838 HE2 PHE 115 HE2 PHE 115 -10.049 1.129 -11.374 839 HZ PHE 115 HZ PHE 115 -9.419 2.406 -9.343 840 H GLU 116 H GLU 116 -16.255 4.619 -10.085 841 HA GLU 116 HA GLU 116 -14.517 6.999 -9.835 842 HB2 GLU 116 HB2 GLU 116 -16.709 7.579 -10.775 843 HB3 GLU 116 HB3 GLU 116 -17.518 6.803 -9.414 844 HG2 GLU 116 HG2 GLU 116 -16.622 8.428 -7.856 845 HG3 GLU 116 HG3 GLU 116 -15.573 9.126 -9.077 846 H VAL 117 H VAL 117 -13.672 7.463 -7.926 847 HA VAL 117 HA VAL 117 -14.747 6.142 -5.500 848 HB VAL 117 HB VAL 117 -11.815 6.659 -6.123 849 HG11 VAL 117 HG11 VAL 117 -13.103 5.267 -3.750 850 HG12 VAL 117 HG12 VAL 117 -12.399 6.883 -3.719 851 HG13 VAL 117 HG13 VAL 117 -11.372 5.482 -4.016 852 HG21 VAL 117 HG21 VAL 117 -12.740 4.759 -7.399 853 HG22 VAL 117 HG22 VAL 117 -13.376 4.058 -5.913 854 HG23 VAL 117 HG23 VAL 117 -11.632 4.183 -6.154 855 H THR 118 H THR 118 -15.481 7.575 -4.151 856 HA THR 118 HA THR 118 -14.434 10.327 -4.149 857 HB THR 118 HB THR 118 -17.099 9.373 -3.064 858 HG1 THR 118 HG1 THR 118 -17.556 9.263 -5.111 859 HG21 THR 118 HG21 THR 118 -16.421 11.438 -2.040 860 HG22 THR 118 HG22 THR 118 -17.606 11.844 -3.281 861 HG23 THR 118 HG23 THR 118 -15.888 12.096 -3.588 862 H LYS 119 H LYS 119 -14.242 11.398 -2.102 863 HA LYS 119 HA LYS 119 -12.739 9.982 -0.228 864 HB2 LYS 119 HB2 LYS 119 -12.841 11.992 1.149 865 HB3 LYS 119 HB3 LYS 119 -12.626 12.436 -0.546 866 HG2 LYS 119 HG2 LYS 119 -15.051 12.889 -0.746 867 HG3 LYS 119 HG3 LYS 119 -15.281 12.425 0.941 868 HD2 LYS 119 HD2 LYS 119 -15.152 14.799 0.988 869 HD3 LYS 119 HD3 LYS 119 -13.558 14.254 1.510 870 HE2 LYS 119 HE2 LYS 119 -12.676 14.572 -0.745 871 HE3 LYS 119 HE3 LYS 119 -14.277 15.033 -1.324 872 HZ1 LYS 119 HZ1 LYS 119 -14.251 16.943 0.105 873 HZ2 LYS 119 HZ2 LYS 119 -12.834 16.951 -0.832 874 HZ3 LYS 119 HZ3 LYS 119 -12.778 16.472 0.798 875 H THR 120 H THR 120 -16.188 10.262 -0.473 876 HA THR 120 HA THR 120 -16.466 8.812 2.085 877 HB THR 120 HB THR 120 -16.907 11.211 2.430 878 HG1 THR 120 HG1 THR 120 -19.057 9.376 2.617 879 HG21 THR 120 HG21 THR 120 -19.069 10.741 0.362 880 HG22 THR 120 HG22 THR 120 -17.752 11.913 0.300 881 HG23 THR 120 HG23 THR 120 -19.064 12.123 1.458 882 H ALA 121 H ALA 121 -16.982 8.547 -1.130 883 HA ALA 121 HA ALA 121 -19.029 6.516 -0.796 884 HB1 ALA 121 HB1 ALA 121 -19.575 8.817 -2.678 885 HB2 ALA 121 HB2 ALA 121 -20.315 8.648 -1.086 886 HB3 ALA 121 HB3 ALA 121 -20.626 7.443 -2.335 887 H VAL 122 H VAL 122 -19.485 5.384 -2.896 888 HA VAL 122 HA VAL 122 -17.331 5.626 -4.874 889 HB VAL 122 HB VAL 122 -16.586 3.921 -3.241 890 HG11 VAL 122 HG11 VAL 122 -17.853 1.780 -3.075 891 HG12 VAL 122 HG12 VAL 122 -19.166 2.520 -3.994 892 HG13 VAL 122 HG13 VAL 122 -18.732 3.155 -2.407 893 HG21 VAL 122 HG21 VAL 122 -16.075 3.699 -5.705 894 HG22 VAL 122 HG22 VAL 122 -17.461 2.618 -5.843 895 HG23 VAL 122 HG23 VAL 122 -16.083 2.162 -4.841 896 H ALA 123 H ALA 123 -17.949 5.171 -6.960 897 HA ALA 123 HA ALA 123 -20.512 3.868 -7.494 898 HB1 ALA 123 HB1 ALA 123 -20.727 6.477 -7.165 899 HB2 ALA 123 HB2 ALA 123 -21.597 5.658 -8.461 900 HB3 ALA 123 HB3 ALA 123 -20.097 6.518 -8.811 901 H HIS 124 H HIS 124 -20.737 3.120 -9.615 902 HA HIS 124 HA HIS 124 -18.244 2.644 -10.995 903 HB2 HIS 124 HB2 HIS 124 -19.565 1.121 -12.416 904 HB3 HIS 124 HB3 HIS 124 -19.808 0.790 -10.706 905 HD2 HIS 124 HD2 HIS 124 -21.908 1.750 -13.807 906 HE1 HIS 124 HE1 HIS 124 -24.463 2.080 -10.464 907 HE2 HIS 124 HE2 HIS 124 -24.370 2.064 -13.002 908 H ARG 125 H ARG 125 -18.006 2.853 -13.286 909 HA ARG 125 HA ARG 125 -19.396 5.197 -14.433 910 HB2 ARG 125 HB2 ARG 125 -16.564 4.211 -14.845 911 HB3 ARG 125 HB3 ARG 125 -17.320 5.462 -15.833 912 HG2 ARG 125 HG2 ARG 125 -17.187 5.675 -12.815 913 HG3 ARG 125 HG3 ARG 125 -15.889 6.277 -13.850 914 HD2 ARG 125 HD2 ARG 125 -17.633 7.629 -15.093 915 HD3 ARG 125 HD3 ARG 125 -18.790 7.158 -13.848 916 HE ARG 125 HE ARG 125 -16.512 8.249 -12.584 917 HH11 ARG 125 HH11 ARG 125 -19.162 9.312 -14.633 918 HH12 ARG 125 HH12 ARG 125 -19.146 10.931 -14.020 919 HH21 ARG 125 HH21 ARG 125 -16.524 10.374 -11.816 920 HH22 ARG 125 HH22 ARG 125 -17.659 11.527 -12.433 921 HA PRO 126 HA PRO 126 -20.780 2.458 -17.711 922 HB2 PRO 126 HB2 PRO 126 -20.751 4.063 -19.910 923 HB3 PRO 126 HB3 PRO 126 -21.971 4.214 -18.625 924 HG2 PRO 126 HG2 PRO 126 -19.493 5.820 -19.069 925 HG3 PRO 126 HG3 PRO 126 -21.127 6.365 -18.639 926 HD2 PRO 126 HD2 PRO 126 -19.186 6.145 -16.774 927 HD3 PRO 126 HD3 PRO 126 -20.890 5.786 -16.398 928 H GLY 127 H GLY 127 -19.924 1.079 -19.279 929 HA2 GLY 127 HA2 GLY 127 -18.369 0.181 -20.762 930 HA3 GLY 127 HA3 GLY 127 -17.445 1.678 -20.649 931 H ALA 128 H ALA 128 -18.255 0.324 -17.595 932 HA ALA 128 HA ALA 128 -15.664 0.070 -16.668 933 HB1 ALA 128 HB1 ALA 128 -16.569 -0.851 -14.730 934 HB2 ALA 128 HB2 ALA 128 -17.838 -1.707 -15.608 935 HB3 ALA 128 HB3 ALA 128 -17.936 0.041 -15.398 936 H PHE 129 H PHE 129 -14.325 -1.683 -16.224 937 HA PHE 129 HA PHE 129 -14.225 -3.665 -18.321 938 HB2 PHE 129 HB2 PHE 129 -12.451 -3.118 -15.936 939 HB3 PHE 129 HB3 PHE 129 -12.138 -4.396 -17.109 940 HD1 PHE 129 HD1 PHE 129 -12.286 -0.757 -16.573 941 HD2 PHE 129 HD2 PHE 129 -11.490 -3.884 -19.405 942 HE1 PHE 129 HE1 PHE 129 -11.235 0.893 -18.096 943 HE2 PHE 129 HE2 PHE 129 -10.441 -2.236 -20.931 944 HZ PHE 129 HZ PHE 129 -10.313 0.154 -20.277 945 H LYS 130 H LYS 130 -14.363 -5.899 -18.122 946 HA LYS 130 HA LYS 130 -15.283 -6.977 -15.549 947 HB2 LYS 130 HB2 LYS 130 -17.079 -8.301 -16.759 948 HB3 LYS 130 HB3 LYS 130 -17.387 -6.572 -16.615 949 HG2 LYS 130 HG2 LYS 130 -16.292 -6.395 -18.981 950 HG3 LYS 130 HG3 LYS 130 -16.527 -8.139 -19.054 951 HD2 LYS 130 HD2 LYS 130 -18.533 -7.459 -19.988 952 HD3 LYS 130 HD3 LYS 130 -19.024 -7.517 -18.300 953 HE2 LYS 130 HE2 LYS 130 -17.911 -4.989 -19.538 954 HE3 LYS 130 HE3 LYS 130 -19.624 -5.392 -19.644 955 HZ1 LYS 130 HZ1 LYS 130 -19.547 -4.178 -17.718 956 HZ2 LYS 130 HZ2 LYS 130 -18.009 -4.751 -17.275 957 HZ3 LYS 130 HZ3 LYS 130 -19.373 -5.749 -17.104 958 H ALA 131 H ALA 131 -14.568 -7.918 -18.922 959 HA ALA 131 HA ALA 131 -13.898 -10.596 -18.369 960 HB1 ALA 131 HB1 ALA 131 -13.289 -10.749 -20.590 961 HB2 ALA 131 HB2 ALA 131 -12.599 -9.127 -20.624 962 HB3 ALA 131 HB3 ALA 131 -14.349 -9.340 -20.637 963 H GLU 132 H GLU 132 -11.932 -7.666 -18.492 964 HA GLU 132 HA GLU 132 -9.430 -9.032 -18.183 965 HB2 GLU 132 HB2 GLU 132 -9.743 -6.835 -19.354 966 HB3 GLU 132 HB3 GLU 132 -10.004 -6.094 -17.773 967 HG2 GLU 132 HG2 GLU 132 -7.777 -6.844 -17.039 968 HG3 GLU 132 HG3 GLU 132 -7.515 -7.633 -18.592 969 H LEU 133 H LEU 133 -8.176 -9.314 -16.404 970 HA LEU 133 HA LEU 133 -9.378 -8.662 -13.780 971 HB2 LEU 133 HB2 LEU 133 -8.033 -10.530 -12.872 972 HB3 LEU 133 HB3 LEU 133 -9.194 -11.074 -14.078 973 HG LEU 133 HG LEU 133 -6.433 -10.353 -15.079 974 HD11 LEU 133 HD11 LEU 133 -6.954 -13.026 -13.773 975 HD12 LEU 133 HD12 LEU 133 -6.090 -11.714 -12.972 976 HD13 LEU 133 HD13 LEU 133 -5.436 -12.432 -14.444 977 HD21 LEU 133 HD21 LEU 133 -8.452 -11.229 -16.469 978 HD22 LEU 133 HD22 LEU 133 -8.118 -12.791 -15.729 979 HD23 LEU 133 HD23 LEU 133 -6.894 -12.009 -16.727 980 H SER 134 H SER 134 -7.898 -8.019 -12.050 981 HA SER 134 HA SER 134 -5.183 -7.307 -12.632 982 HB2 SER 134 HB2 SER 134 -6.348 -5.593 -13.965 983 HB3 SER 134 HB3 SER 134 -7.235 -5.100 -12.524 984 HG SER 134 HG SER 134 -5.494 -4.133 -11.795 985 H LYS 135 H LYS 135 -4.449 -5.567 -10.914 986 HA LYS 135 HA LYS 135 -5.570 -6.339 -8.283 987 HB2 LYS 135 HB2 LYS 135 -3.283 -5.790 -7.378 988 HB3 LYS 135 HB3 LYS 135 -3.304 -7.200 -8.443 989 HG2 LYS 135 HG2 LYS 135 -2.464 -5.848 -10.295 990 HG3 LYS 135 HG3 LYS 135 -2.559 -4.381 -9.323 991 HD2 LYS 135 HD2 LYS 135 -0.881 -6.756 -8.482 992 HD3 LYS 135 HD3 LYS 135 -0.241 -5.484 -9.528 993 HE2 LYS 135 HE2 LYS 135 -0.892 -3.799 -7.785 994 HE3 LYS 135 HE3 LYS 135 -1.354 -5.134 -6.725 995 HZ1 LYS 135 HZ1 LYS 135 0.795 -5.767 -6.427 996 HZ2 LYS 135 HZ2 LYS 135 1.042 -4.103 -6.667 997 HZ3 LYS 135 HZ3 LYS 135 1.309 -5.197 -7.938 998 H LEU 136 H LEU 136 -5.743 -4.704 -6.701 999 HA LEU 136 HA LEU 136 -5.757 -1.959 -7.811 1000 HB2 LEU 136 HB2 LEU 136 -7.453 -3.096 -5.588 1001 HB3 LEU 136 HB3 LEU 136 -7.514 -1.442 -6.196 1002 HG LEU 136 HG LEU 136 -7.925 -2.641 -8.545 1003 HD11 LEU 136 HD11 LEU 136 -9.438 -4.712 -8.041 1004 HD12 LEU 136 HD12 LEU 136 -8.560 -4.784 -6.517 1005 HD13 LEU 136 HD13 LEU 136 -7.691 -4.929 -8.041 1006 HD21 LEU 136 HD21 LEU 136 -10.138 -2.597 -6.462 1007 HD22 LEU 136 HD22 LEU 136 -10.320 -2.412 -8.207 1008 HD23 LEU 136 HD23 LEU 136 -9.517 -1.155 -7.265 1009 H VAL 137 H VAL 137 -4.966 -0.262 -6.657 1010 HA VAL 137 HA VAL 137 -3.781 -0.750 -4.034 1011 HB VAL 137 HB VAL 137 -1.963 -1.142 -5.667 1012 HG11 VAL 137 HG11 VAL 137 -2.836 0.315 -7.474 1013 HG12 VAL 137 HG12 VAL 137 -1.148 0.664 -7.100 1014 HG13 VAL 137 HG13 VAL 137 -2.419 1.733 -6.512 1015 HG21 VAL 137 HG21 VAL 137 -0.329 0.240 -4.606 1016 HG22 VAL 137 HG22 VAL 137 -1.604 0.018 -3.406 1017 HG23 VAL 137 HG23 VAL 137 -1.500 1.528 -4.312 1018 H ILE 138 H ILE 138 -4.349 0.791 -2.695 1019 HA ILE 138 HA ILE 138 -5.101 3.460 -3.747 1020 HB ILE 138 HB ILE 138 -6.389 1.982 -1.422 1021 HG12 ILE 138 HG12 ILE 138 -8.433 2.181 -3.086 1022 HG13 ILE 138 HG13 ILE 138 -7.183 2.340 -4.328 1023 HG21 ILE 138 HG21 ILE 138 -7.989 3.839 -1.394 1024 HG22 ILE 138 HG22 ILE 138 -7.172 4.599 -2.758 1025 HG23 ILE 138 HG23 ILE 138 -6.353 4.470 -1.202 1026 HD11 ILE 138 HD11 ILE 138 -6.432 0.149 -3.993 1027 HD12 ILE 138 HD12 ILE 138 -8.156 -0.019 -3.702 1028 HD13 ILE 138 HD13 ILE 138 -7.044 0.079 -2.339 1029 H VAL 139 H VAL 139 -4.047 5.131 -2.914 1030 HA VAL 139 HA VAL 139 -2.609 4.816 -0.332 1031 HB VAL 139 HB VAL 139 -1.923 6.620 -2.696 1032 HG11 VAL 139 HG11 VAL 139 -1.362 7.590 -0.452 1033 HG12 VAL 139 HG12 VAL 139 0.065 7.251 -1.429 1034 HG13 VAL 139 HG13 VAL 139 -0.381 6.164 -0.117 1035 HG21 VAL 139 HG21 VAL 139 -1.353 4.301 -3.177 1036 HG22 VAL 139 HG22 VAL 139 -0.602 4.118 -1.593 1037 HG23 VAL 139 HG23 VAL 139 0.135 5.170 -2.801 1038 H ALA 140 H ALA 140 -3.494 5.963 1.267 1039 HA ALA 140 HA ALA 140 -5.005 8.420 0.606 1040 HB1 ALA 140 HB1 ALA 140 -6.216 6.128 1.357 1041 HB2 ALA 140 HB2 ALA 140 -6.852 7.727 1.729 1042 HB3 ALA 140 HB3 ALA 140 -5.922 6.845 2.940 1043 H LYS 141 H LYS 141 -4.916 10.112 2.000 1044 HA LYS 141 HA LYS 141 -2.747 10.073 3.974 1045 HB2 LYS 141 HB2 LYS 141 -2.906 11.841 2.143 1046 HB3 LYS 141 HB3 LYS 141 -4.320 12.454 3.009 1047 HG2 LYS 141 HG2 LYS 141 -2.882 12.596 5.082 1048 HG3 LYS 141 HG3 LYS 141 -1.498 12.220 4.060 1049 HD2 LYS 141 HD2 LYS 141 -3.350 14.547 3.481 1050 HD3 LYS 141 HD3 LYS 141 -1.912 14.713 4.486 1051 HE2 LYS 141 HE2 LYS 141 -0.530 13.858 2.615 1052 HE3 LYS 141 HE3 LYS 141 -1.974 13.773 1.608 1053 HZ1 LYS 141 HZ1 LYS 141 -0.471 15.858 1.525 1054 HZ2 LYS 141 HZ2 LYS 141 -1.277 16.290 2.957 1055 HZ3 LYS 141 HZ3 LYS 141 -2.155 16.047 1.521 1056 H ALA 142 H ALA 142 -3.118 10.311 6.117 1057 HA ALA 142 HA ALA 142 -5.627 9.832 7.256 1058 HB1 ALA 142 HB1 ALA 142 -3.753 11.376 8.939 1059 HB2 ALA 142 HB2 ALA 142 -3.063 9.935 8.200 1060 HB3 ALA 142 HB3 ALA 142 -4.496 9.800 9.217 1061 H SER 143 H SER 143 -7.317 11.115 7.799 1062 HA SER 143 HA SER 143 -7.045 14.013 7.260 1063 HB2 SER 143 HB2 SER 143 -9.517 12.275 7.233 1064 HB3 SER 143 HB3 SER 143 -9.495 14.009 6.956 1065 HG SER 143 HG SER 143 -7.934 12.158 5.470 1066 H ARG 144 H ARG 144 -9.108 11.946 9.342 1067 HA ARG 144 HA ARG 144 -8.399 13.478 11.702 1068 HB2 ARG 144 HB2 ARG 144 -10.730 14.205 12.182 1069 HB3 ARG 144 HB3 ARG 144 -10.056 14.971 10.749 1070 HG2 ARG 144 HG2 ARG 144 -12.074 14.342 9.825 1071 HG3 ARG 144 HG3 ARG 144 -11.215 12.839 9.527 1072 HD2 ARG 144 HD2 ARG 144 -12.121 11.940 11.680 1073 HD3 ARG 144 HD3 ARG 144 -13.024 13.437 11.890 1074 HE ARG 144 HE ARG 144 -13.635 11.272 10.042 1075 HH11 ARG 144 HH11 ARG 144 -14.198 14.648 10.829 1076 HH12 ARG 144 HH12 ARG 144 -15.688 14.729 9.951 1077 HH21 ARG 144 HH21 ARG 144 -15.583 11.422 8.908 1078 HH22 ARG 144 HH22 ARG 144 -16.466 12.911 8.870 1079 H THR 145 H THR 145 -9.226 12.616 13.650 1080 HA THR 145 HA THR 145 -10.451 9.938 13.477 1081 HB THR 145 HB THR 145 -8.920 9.169 15.297 1082 HG1 THR 145 HG1 THR 145 -7.776 11.712 14.819 1083 HG21 THR 145 HG21 THR 145 -7.512 10.235 12.831 1084 HG22 THR 145 HG22 THR 145 -8.360 8.692 12.948 1085 HG23 THR 145 HG23 THR 145 -6.898 8.968 13.894 1086 H GLU 146 H GLU 146 -11.659 12.518 14.037 1087 HA GLU 146 HA GLU 146 -11.878 13.258 16.705 1088 HB2 GLU 146 HB2 GLU 146 -12.766 14.456 14.653 1089 HB3 GLU 146 HB3 GLU 146 -14.142 13.354 14.720 1090 HG2 GLU 146 HG2 GLU 146 -14.751 15.387 15.892 1091 HG3 GLU 146 HG3 GLU 146 -14.573 14.090 17.069 1092 H LEU 147 H LEU 147 -14.094 11.098 14.893 1093 HA LEU 147 HA LEU 147 -14.493 9.055 16.622 1094 HB2 LEU 147 HB2 LEU 147 -16.646 9.633 17.867 1095 HB3 LEU 147 HB3 LEU 147 -15.189 10.379 18.499 1096 HG LEU 147 HG LEU 147 -15.837 12.395 16.914 1097 HD11 LEU 147 HD11 LEU 147 -18.382 10.782 17.055 1098 HD12 LEU 147 HD12 LEU 147 -17.616 11.502 15.640 1099 HD13 LEU 147 HD13 LEU 147 -18.422 12.528 16.822 1100 HD21 LEU 147 HD21 LEU 147 -17.384 13.286 18.722 1101 HD22 LEU 147 HD22 LEU 147 -15.856 12.645 19.326 1102 HD23 LEU 147 HD23 LEU 147 -17.330 11.687 19.465 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 26.143 8.333 14.278 2 H2 GLY 1 HT2 GLY 1 25.414 8.227 12.748 3 H3 GLY 1 HT3 GLY 1 25.067 7.067 13.941 4 HA2 GLY 1 HA2 GLY 1 23.874 8.609 15.251 5 HA3 GLY 1 HA3 GLY 1 24.433 9.947 14.244 6 H SER 2 H SER 2 23.128 10.606 12.665 7 HA SER 2 HA SER 2 21.321 10.740 11.261 8 HB2 SER 2 HB2 SER 2 22.740 8.296 10.650 9 HB3 SER 2 HB3 SER 2 21.027 8.074 10.336 10 HG SER 2 HG SER 2 22.828 9.424 8.922 11 H LYS 3 H LYS 3 19.168 9.402 10.638 12 HA LYS 3 HA LYS 3 17.918 8.615 13.205 13 HB2 LYS 3 HB2 LYS 3 17.079 10.771 12.289 14 HB3 LYS 3 HB3 LYS 3 16.605 9.937 10.807 15 HG2 LYS 3 HG2 LYS 3 15.063 8.503 12.091 16 HG3 LYS 3 HG3 LYS 3 15.549 9.306 13.588 17 HD2 LYS 3 HD2 LYS 3 14.723 11.458 12.702 18 HD3 LYS 3 HD3 LYS 3 14.226 10.653 11.212 19 HE2 LYS 3 HE2 LYS 3 12.692 9.210 12.492 20 HE3 LYS 3 HE3 LYS 3 13.189 10.003 13.986 21 HZ1 LYS 3 HZ1 LYS 3 12.510 12.135 12.683 22 HZ2 LYS 3 HZ2 LYS 3 11.324 11.186 13.448 23 HZ3 LYS 3 HZ3 LYS 3 11.573 11.055 11.771 24 H GLY 4 H GLY 4 17.165 6.606 13.330 25 HA2 GLY 4 HA2 GLY 4 16.889 5.021 10.851 26 HA3 GLY 4 HA3 GLY 4 17.243 4.354 12.443 27 H THR 5 H THR 5 15.026 3.904 10.418 28 HA THR 5 HA THR 5 12.767 4.196 12.304 29 HB THR 5 HB THR 5 11.262 4.612 10.405 30 HG1 THR 5 HG1 THR 5 13.600 4.873 8.843 31 HG21 THR 5 HG21 THR 5 13.592 6.465 10.868 32 HG22 THR 5 HG22 THR 5 11.907 6.647 11.357 33 HG23 THR 5 HG23 THR 5 12.366 6.864 9.669 34 H VAL 6 H VAL 6 11.051 2.629 12.006 35 HA VAL 6 HA VAL 6 11.855 0.179 10.576 36 HB VAL 6 HB VAL 6 11.038 -1.198 12.465 37 HG11 VAL 6 HG11 VAL 6 12.955 -0.773 13.967 38 HG12 VAL 6 HG12 VAL 6 13.203 0.793 13.195 39 HG13 VAL 6 HG13 VAL 6 13.430 -0.691 12.271 40 HG21 VAL 6 HG21 VAL 6 10.575 -0.180 14.637 41 HG22 VAL 6 HG22 VAL 6 9.525 0.574 13.438 42 HG23 VAL 6 HG23 VAL 6 10.960 1.424 14.010 43 H SER 7 H SER 7 10.114 -1.242 10.019 44 HA SER 7 HA SER 7 7.439 0.013 10.037 45 HB2 SER 7 HB2 SER 7 8.782 -1.325 7.679 46 HB3 SER 7 HB3 SER 7 7.102 -0.804 7.726 47 HG SER 7 HG SER 7 7.923 1.328 8.172 48 H GLU 8 H GLU 8 5.687 -1.379 10.115 49 HA GLU 8 HA GLU 8 6.278 -4.249 10.459 50 HB2 GLU 8 HB2 GLU 8 4.474 -2.572 12.240 51 HB3 GLU 8 HB3 GLU 8 4.646 -4.327 12.336 52 HG2 GLU 8 HG2 GLU 8 6.907 -2.329 12.713 53 HG3 GLU 8 HG3 GLU 8 6.065 -3.160 14.018 54 HA PRO 9 HA PRO 9 2.744 -3.499 7.398 55 HB2 PRO 9 HB2 PRO 9 3.663 -5.105 5.418 56 HB3 PRO 9 HB3 PRO 9 4.181 -3.413 5.589 57 HG2 PRO 9 HG2 PRO 9 5.579 -5.906 6.451 58 HG3 PRO 9 HG3 PRO 9 6.230 -4.482 5.616 59 HD2 PRO 9 HD2 PRO 9 6.554 -4.827 8.276 60 HD3 PRO 9 HD3 PRO 9 6.340 -3.211 7.559 61 H THR 10 H THR 10 1.020 -4.906 6.977 62 HA THR 10 HA THR 10 1.260 -7.623 8.137 63 HB THR 10 HB THR 10 -1.159 -5.790 8.080 64 HG1 THR 10 HG1 THR 10 -0.641 -5.312 10.087 65 HG21 THR 10 HG21 THR 10 -1.630 -8.279 7.964 66 HG22 THR 10 HG22 THR 10 -2.278 -7.482 9.397 67 HG23 THR 10 HG23 THR 10 -0.803 -8.441 9.514 68 H THR 11 H THR 11 0.804 -9.296 6.845 69 HA THR 11 HA THR 11 -0.351 -8.757 4.186 70 HB THR 11 HB THR 11 1.291 -11.134 5.138 71 HG1 THR 11 HG1 THR 11 2.875 -10.165 3.794 72 HG21 THR 11 HG21 THR 11 -0.218 -11.768 3.323 73 HG22 THR 11 HG22 THR 11 1.428 -11.656 2.699 74 HG23 THR 11 HG23 THR 11 0.275 -10.360 2.384 75 H VAL 12 H VAL 12 -2.362 -9.431 3.760 76 HA VAL 12 HA VAL 12 -3.502 -11.597 5.420 77 HB VAL 12 HB VAL 12 -4.879 -8.979 4.728 78 HG11 VAL 12 HG11 VAL 12 -5.869 -11.403 6.272 79 HG12 VAL 12 HG12 VAL 12 -6.491 -10.823 4.728 80 HG13 VAL 12 HG13 VAL 12 -6.712 -9.856 6.185 81 HG21 VAL 12 HG21 VAL 12 -4.205 -10.072 7.475 82 HG22 VAL 12 HG22 VAL 12 -4.687 -8.433 7.042 83 HG23 VAL 12 HG23 VAL 12 -3.095 -9.026 6.588 84 H ALA 13 H ALA 13 -4.598 -13.118 4.362 85 HA ALA 13 HA ALA 13 -5.063 -12.740 1.479 86 HB1 ALA 13 HB1 ALA 13 -5.129 -15.421 2.818 87 HB2 ALA 13 HB2 ALA 13 -3.577 -14.660 2.468 88 HB3 ALA 13 HB3 ALA 13 -4.701 -15.014 1.156 89 H PHE 14 H PHE 14 -7.050 -13.397 0.545 90 HA PHE 14 HA PHE 14 -9.224 -14.161 2.348 91 HB2 PHE 14 HB2 PHE 14 -10.710 -12.362 1.598 92 HB3 PHE 14 HB3 PHE 14 -9.271 -11.686 2.352 93 HD1 PHE 14 HD1 PHE 14 -11.123 -12.123 -0.788 94 HD2 PHE 14 HD2 PHE 14 -7.524 -10.591 0.986 95 HE1 PHE 14 HE1 PHE 14 -10.658 -10.829 -2.851 96 HE2 PHE 14 HE2 PHE 14 -7.060 -9.297 -1.082 97 HZ PHE 14 HZ PHE 14 -8.627 -9.415 -2.996 98 H ASP 15 H ASP 15 -11.194 -14.834 1.198 99 HA ASP 15 HA ASP 15 -10.464 -16.207 -1.280 100 HB2 ASP 15 HB2 ASP 15 -12.833 -16.619 0.553 101 HB3 ASP 15 HB3 ASP 15 -12.412 -17.618 -0.839 102 H VAL 16 H VAL 16 -11.249 -15.614 -3.225 103 HA VAL 16 HA VAL 16 -13.457 -13.656 -3.325 104 HB VAL 16 HB VAL 16 -11.564 -14.619 -5.515 105 HG11 VAL 16 HG11 VAL 16 -13.662 -13.933 -6.513 106 HG12 VAL 16 HG12 VAL 16 -12.501 -12.628 -6.757 107 HG13 VAL 16 HG13 VAL 16 -13.727 -12.493 -5.496 108 HG21 VAL 16 HG21 VAL 16 -10.499 -13.214 -3.746 109 HG22 VAL 16 HG22 VAL 16 -11.702 -11.960 -4.053 110 HG23 VAL 16 HG23 VAL 16 -10.547 -12.402 -5.311 111 H ARG 17 H ARG 17 -15.375 -14.607 -3.279 112 HA ARG 17 HA ARG 17 -15.748 -17.166 -4.685 113 HB2 ARG 17 HB2 ARG 17 -17.326 -15.935 -2.420 114 HB3 ARG 17 HB3 ARG 17 -17.720 -17.465 -3.205 115 HG2 ARG 17 HG2 ARG 17 -15.621 -18.454 -2.510 116 HG3 ARG 17 HG3 ARG 17 -15.029 -16.898 -1.912 117 HD2 ARG 17 HD2 ARG 17 -15.804 -18.283 -0.043 118 HD3 ARG 17 HD3 ARG 17 -16.828 -16.860 -0.221 119 HE ARG 17 HE ARG 17 -17.874 -19.107 -1.677 120 HH11 ARG 17 HH11 ARG 17 -17.641 -17.767 1.561 121 HH12 ARG 17 HH12 ARG 17 -19.070 -18.566 2.126 122 HH21 ARG 17 HH21 ARG 17 -19.739 -20.125 -0.901 123 HH22 ARG 17 HH22 ARG 17 -20.249 -19.892 0.738 124 HA PRO 18 HA PRO 18 -18.258 -14.496 -7.455 125 HB2 PRO 18 HB2 PRO 18 -18.448 -16.083 -9.550 126 HB3 PRO 18 HB3 PRO 18 -16.889 -15.353 -9.122 127 HG2 PRO 18 HG2 PRO 18 -17.885 -18.112 -8.538 128 HG3 PRO 18 HG3 PRO 18 -16.317 -17.614 -9.200 129 HD2 PRO 18 HD2 PRO 18 -16.670 -18.185 -6.555 130 HD3 PRO 18 HD3 PRO 18 -15.481 -16.986 -7.126 131 H GLY 19 H GLY 19 -20.325 -14.898 -8.791 132 HA2 GLY 19 HA2 GLY 19 -22.196 -16.679 -8.933 133 HA3 GLY 19 HA3 GLY 19 -22.207 -16.509 -7.180 134 H GLY 20 H GLY 20 -21.484 -13.550 -8.714 135 HA2 GLY 20 HA2 GLY 20 -22.745 -11.700 -9.329 136 HA3 GLY 20 HA3 GLY 20 -24.203 -12.673 -9.178 137 H VAL 21 H VAL 21 -22.401 -13.078 -6.373 138 HA VAL 21 HA VAL 21 -24.163 -11.314 -4.858 139 HB VAL 21 HB VAL 21 -22.113 -13.347 -3.911 140 HG11 VAL 21 HG11 VAL 21 -24.322 -11.941 -2.374 141 HG12 VAL 21 HG12 VAL 21 -22.600 -11.584 -2.236 142 HG13 VAL 21 HG13 VAL 21 -23.217 -13.154 -1.724 143 HG21 VAL 21 HG21 VAL 21 -25.135 -13.598 -3.903 144 HG22 VAL 21 HG22 VAL 21 -23.950 -14.862 -3.576 145 HG23 VAL 21 HG23 VAL 21 -24.133 -14.227 -5.210 146 H VAL 22 H VAL 22 -23.580 -9.439 -4.039 147 HA VAL 22 HA VAL 22 -20.998 -8.313 -4.628 148 HB VAL 22 HB VAL 22 -23.273 -7.229 -2.918 149 HG11 VAL 22 HG11 VAL 22 -20.970 -5.722 -4.195 150 HG12 VAL 22 HG12 VAL 22 -21.007 -6.198 -2.498 151 HG13 VAL 22 HG13 VAL 22 -22.207 -5.065 -3.121 152 HG21 VAL 22 HG21 VAL 22 -22.525 -6.573 -5.788 153 HG22 VAL 22 HG22 VAL 22 -23.916 -5.961 -4.894 154 HG23 VAL 22 HG23 VAL 22 -23.832 -7.666 -5.335 155 H HIS 23 H HIS 23 -19.244 -8.627 -3.495 156 HA HIS 23 HA HIS 23 -19.476 -9.325 -0.624 157 HB2 HIS 23 HB2 HIS 23 -17.331 -10.114 -2.601 158 HB3 HIS 23 HB3 HIS 23 -17.306 -10.480 -0.879 159 HD2 HIS 23 HD2 HIS 23 -18.537 -12.098 -4.075 160 HE1 HIS 23 HE1 HIS 23 -20.847 -13.836 -0.998 161 HE2 HIS 23 HE2 HIS 23 -20.197 -14.013 -3.447 162 H SER 24 H SER 24 -18.360 -8.241 0.830 163 HA SER 24 HA SER 24 -16.530 -6.108 -0.093 164 HB2 SER 24 HB2 SER 24 -18.490 -6.012 2.212 165 HB3 SER 24 HB3 SER 24 -17.286 -4.778 1.851 166 HG SER 24 HG SER 24 -19.454 -5.651 0.233 167 H PHE 25 H PHE 25 -14.582 -6.114 0.769 168 HA PHE 25 HA PHE 25 -14.079 -7.696 3.216 169 HB2 PHE 25 HB2 PHE 25 -13.290 -8.876 1.136 170 HB3 PHE 25 HB3 PHE 25 -12.206 -7.514 0.840 171 HD1 PHE 25 HD1 PHE 25 -13.014 -10.262 3.208 172 HD2 PHE 25 HD2 PHE 25 -10.172 -7.236 2.101 173 HE1 PHE 25 HE1 PHE 25 -11.358 -11.249 4.766 174 HE2 PHE 25 HE2 PHE 25 -8.515 -8.227 3.660 175 HZ PHE 25 HZ PHE 25 -9.109 -10.232 4.992 176 H SER 26 H SER 26 -13.000 -6.631 4.760 177 HA SER 26 HA SER 26 -11.534 -4.176 4.041 178 HB2 SER 26 HB2 SER 26 -12.591 -2.945 5.825 179 HB3 SER 26 HB3 SER 26 -13.833 -3.615 4.772 180 HG SER 26 HG SER 26 -13.717 -3.910 7.319 181 H HIS 27 H HIS 27 -10.160 -3.377 5.799 182 HA HIS 27 HA HIS 27 -9.366 -5.350 7.800 183 HB2 HIS 27 HB2 HIS 27 -8.075 -5.866 5.718 184 HB3 HIS 27 HB3 HIS 27 -7.370 -4.251 5.810 185 HD2 HIS 27 HD2 HIS 27 -7.130 -7.692 7.702 186 HE1 HIS 27 HE1 HIS 27 -4.117 -5.139 9.207 187 HE2 HIS 27 HE2 HIS 27 -5.035 -7.511 9.251 188 H ASN 28 H ASN 28 -8.407 -4.515 9.567 189 HA ASN 28 HA ASN 28 -7.713 -1.666 9.656 190 HB2 ASN 28 HB2 ASN 28 -10.128 -2.049 10.375 191 HB3 ASN 28 HB3 ASN 28 -9.474 -2.929 11.758 192 HD21 ASN 28 HD21 ASN 28 -10.030 -1.387 13.386 193 HD22 ASN 28 HD22 ASN 28 -9.375 0.179 13.433 194 H VAL 29 H VAL 29 -6.400 -1.106 11.474 195 HA VAL 29 HA VAL 29 -5.100 -3.389 12.837 196 HB VAL 29 HB VAL 29 -2.927 -2.207 12.627 197 HG11 VAL 29 HG11 VAL 29 -2.554 -2.795 10.281 198 HG12 VAL 29 HG12 VAL 29 -4.290 -2.748 9.972 199 HG13 VAL 29 HG13 VAL 29 -3.616 -3.985 11.034 200 HG21 VAL 29 HG21 VAL 29 -2.670 -0.163 11.562 201 HG22 VAL 29 HG22 VAL 29 -4.346 0.066 12.044 202 HG23 VAL 29 HG23 VAL 29 -3.971 -0.452 10.410 203 H GLY 30 H GLY 30 -4.028 -2.851 14.867 204 HA2 GLY 30 HA2 GLY 30 -5.670 -1.373 16.593 205 HA3 GLY 30 HA3 GLY 30 -4.048 -1.938 16.986 206 HA PRO 31 HA PRO 31 -2.228 2.186 16.516 207 HB2 PRO 31 HB2 PRO 31 -1.125 1.677 13.785 208 HB3 PRO 31 HB3 PRO 31 -0.293 2.225 15.259 209 HG2 PRO 31 HG2 PRO 31 0.056 -0.232 14.424 210 HG3 PRO 31 HG3 PRO 31 -0.194 0.085 16.155 211 HD2 PRO 31 HD2 PRO 31 -2.184 -0.956 14.145 212 HD3 PRO 31 HD3 PRO 31 -1.875 -1.505 15.814 213 H GLY 32 H GLY 32 -3.494 1.049 13.422 214 HA2 GLY 32 HA2 GLY 32 -4.523 3.688 12.691 215 HA3 GLY 32 HA3 GLY 32 -4.470 2.264 11.653 216 H ASP 33 H ASP 33 -5.914 2.956 14.871 217 HA ASP 33 HA ASP 33 -8.197 1.332 14.482 218 HB2 ASP 33 HB2 ASP 33 -7.659 3.634 16.358 219 HB3 ASP 33 HB3 ASP 33 -9.176 2.738 16.374 220 H LYS 34 H LYS 34 -7.561 4.705 13.740 221 HA LYS 34 HA LYS 34 -10.320 5.169 12.899 222 HB2 LYS 34 HB2 LYS 34 -7.936 7.033 12.948 223 HB3 LYS 34 HB3 LYS 34 -9.586 7.495 12.528 224 HG2 LYS 34 HG2 LYS 34 -8.820 6.261 15.197 225 HG3 LYS 34 HG3 LYS 34 -8.944 8.001 14.926 226 HD2 LYS 34 HD2 LYS 34 -11.320 7.657 14.187 227 HD3 LYS 34 HD3 LYS 34 -11.174 5.959 14.639 228 HE2 LYS 34 HE2 LYS 34 -10.653 6.597 16.958 229 HE3 LYS 34 HE3 LYS 34 -10.782 8.301 16.525 230 HZ1 LYS 34 HZ1 LYS 34 -12.960 6.294 16.306 231 HZ2 LYS 34 HZ2 LYS 34 -13.080 7.940 15.899 232 HZ3 LYS 34 HZ3 LYS 34 -12.828 7.477 17.513 233 H TYR 35 H TYR 35 -7.800 3.678 11.417 234 HA TYR 35 HA TYR 35 -8.524 4.772 8.743 235 HB2 TYR 35 HB2 TYR 35 -5.815 3.656 9.554 236 HB3 TYR 35 HB3 TYR 35 -6.241 4.332 7.984 237 HD1 TYR 35 HD1 TYR 35 -5.079 5.072 11.308 238 HD2 TYR 35 HD2 TYR 35 -7.050 6.787 7.898 239 HE1 TYR 35 HE1 TYR 35 -4.572 7.339 12.161 240 HE2 TYR 35 HE2 TYR 35 -6.536 9.061 8.753 241 HH TYR 35 HH TYR 35 -4.315 9.626 11.245 242 H THR 36 H THR 36 -9.520 3.344 7.468 243 HA THR 36 HA THR 36 -8.848 0.472 7.665 244 HB THR 36 HB THR 36 -11.674 1.582 7.635 245 HG1 THR 36 HG1 THR 36 -11.732 0.867 9.739 246 HG21 THR 36 HG21 THR 36 -12.409 -0.700 7.816 247 HG22 THR 36 HG22 THR 36 -10.755 -1.283 7.990 248 HG23 THR 36 HG23 THR 36 -11.302 -0.621 6.447 249 H CYS 37 H CYS 37 -8.832 -0.641 5.746 250 HA CYS 37 HA CYS 37 -9.501 0.877 3.281 251 HB2 CYS 37 HB2 CYS 37 -7.749 -1.592 3.604 252 HB3 CYS 37 HB3 CYS 37 -8.140 -0.825 2.065 253 H MET 38 H MET 38 -11.120 0.222 1.986 254 HA MET 38 HA MET 38 -12.414 -2.373 2.570 255 HB2 MET 38 HB2 MET 38 -13.748 0.236 1.862 256 HB3 MET 38 HB3 MET 38 -14.564 -1.327 1.924 257 HG2 MET 38 HG2 MET 38 -13.862 -1.603 4.260 258 HG3 MET 38 HG3 MET 38 -13.106 -0.014 4.221 259 HE1 MET 38 HE1 MET 38 -16.074 0.574 6.499 260 HE2 MET 38 HE2 MET 38 -14.474 -0.150 6.357 261 HE3 MET 38 HE3 MET 38 -15.904 -1.159 6.172 262 H PHE 39 H PHE 39 -13.083 -3.594 0.938 263 HA PHE 39 HA PHE 39 -12.692 -2.598 -1.815 264 HB2 PHE 39 HB2 PHE 39 -11.727 -5.309 -0.848 265 HB3 PHE 39 HB3 PHE 39 -11.550 -4.647 -2.472 266 HD1 PHE 39 HD1 PHE 39 -9.979 -4.977 0.705 267 HD2 PHE 39 HD2 PHE 39 -10.344 -2.289 -2.628 268 HE1 PHE 39 HE1 PHE 39 -7.905 -3.817 1.413 269 HE2 PHE 39 HE2 PHE 39 -8.265 -1.135 -1.921 270 HZ PHE 39 HZ PHE 39 -7.049 -1.900 0.100 271 H THR 40 H THR 40 -14.602 -2.676 -2.737 272 HA THR 40 HA THR 40 -16.400 -4.976 -2.183 273 HB THR 40 HB THR 40 -17.152 -2.151 -3.010 274 HG1 THR 40 HG1 THR 40 -16.747 -1.924 -0.933 275 HG21 THR 40 HG21 THR 40 -18.829 -4.565 -2.251 276 HG22 THR 40 HG22 THR 40 -18.788 -3.759 -3.820 277 HG23 THR 40 HG23 THR 40 -19.465 -2.929 -2.420 278 H TYR 41 H TYR 41 -16.938 -6.255 -3.870 279 HA TYR 41 HA TYR 41 -16.977 -5.229 -6.587 280 HB2 TYR 41 HB2 TYR 41 -15.362 -6.882 -7.467 281 HB3 TYR 41 HB3 TYR 41 -14.602 -5.749 -6.353 282 HD1 TYR 41 HD1 TYR 41 -15.823 -9.218 -6.773 283 HD2 TYR 41 HD2 TYR 41 -13.766 -6.471 -4.189 284 HE1 TYR 41 HE1 TYR 41 -15.070 -11.109 -5.363 285 HE2 TYR 41 HE2 TYR 41 -13.011 -8.366 -2.778 286 HH TYR 41 HH TYR 41 -13.990 -10.829 -2.333 287 H ALA 42 H ALA 42 -17.734 -6.793 -8.168 288 HA ALA 42 HA ALA 42 -19.286 -9.033 -7.022 289 HB1 ALA 42 HB1 ALA 42 -21.005 -7.532 -7.525 290 HB2 ALA 42 HB2 ALA 42 -20.897 -8.480 -9.007 291 HB3 ALA 42 HB3 ALA 42 -20.157 -6.880 -8.928 292 H SER 43 H SER 43 -19.057 -10.964 -8.079 293 HA SER 43 HA SER 43 -17.729 -10.959 -10.716 294 HB2 SER 43 HB2 SER 43 -16.949 -12.670 -8.357 295 HB3 SER 43 HB3 SER 43 -16.300 -12.809 -9.991 296 HG SER 43 HG SER 43 -15.191 -11.425 -8.290 297 H GLN 44 H GLN 44 -17.994 -12.829 -11.962 298 HA GLN 44 HA GLN 44 -20.202 -14.614 -11.161 299 HB2 GLN 44 HB2 GLN 44 -21.067 -13.034 -12.822 300 HB3 GLN 44 HB3 GLN 44 -19.742 -13.414 -13.917 301 HG2 GLN 44 HG2 GLN 44 -20.529 -15.660 -14.228 302 HG3 GLN 44 HG3 GLN 44 -21.689 -15.502 -12.916 303 HE21 GLN 44 HE21 GLN 44 -21.530 -15.544 -16.231 304 HE22 GLN 44 HE22 GLN 44 -22.876 -14.575 -16.594 305 H GLY 45 H GLY 45 -19.757 -16.689 -11.252 306 HA2 GLY 45 HA2 GLY 45 -18.371 -18.181 -13.085 307 HA3 GLY 45 HA3 GLY 45 -17.148 -17.649 -11.927 308 H GLY 46 H GLY 46 -17.255 -20.214 -11.830 309 HA2 GLY 46 HA2 GLY 46 -19.151 -20.944 -9.666 310 HA3 GLY 46 HA3 GLY 46 -18.623 -22.073 -10.911 311 H THR 47 H THR 47 -15.912 -20.298 -10.163 312 HA THR 47 HA THR 47 -15.138 -22.080 -7.923 313 HB THR 47 HB THR 47 -13.402 -21.426 -10.322 314 HG1 THR 47 HG1 THR 47 -14.425 -23.054 -11.148 315 HG21 THR 47 HG21 THR 47 -11.797 -22.949 -9.356 316 HG22 THR 47 HG22 THR 47 -12.923 -23.407 -8.077 317 HG23 THR 47 HG23 THR 47 -12.232 -21.785 -8.105 318 H ASN 48 H ASN 48 -14.224 -21.121 -6.246 319 HA ASN 48 HA ASN 48 -13.628 -18.278 -6.382 320 HB2 ASN 48 HB2 ASN 48 -13.446 -18.410 -3.931 321 HB3 ASN 48 HB3 ASN 48 -14.967 -19.105 -4.493 322 HD21 ASN 48 HD21 ASN 48 -14.941 -20.314 -2.376 323 HD22 ASN 48 HD22 ASN 48 -14.015 -21.730 -2.245 324 H GLU 49 H GLU 49 -11.644 -17.680 -4.833 325 HA GLU 49 HA GLU 49 -9.370 -19.424 -5.100 326 HB2 GLU 49 HB2 GLU 49 -8.046 -17.909 -6.472 327 HB3 GLU 49 HB3 GLU 49 -9.438 -18.527 -7.368 328 HG2 GLU 49 HG2 GLU 49 -10.638 -16.377 -6.705 329 HG3 GLU 49 HG3 GLU 49 -9.080 -15.809 -6.088 330 H GLN 50 H GLN 50 -7.305 -18.150 -4.470 331 HA GLN 50 HA GLN 50 -7.992 -16.488 -2.129 332 HB2 GLN 50 HB2 GLN 50 -5.708 -18.406 -2.599 333 HB3 GLN 50 HB3 GLN 50 -5.808 -17.315 -1.214 334 HG2 GLN 50 HG2 GLN 50 -7.861 -18.319 -0.471 335 HG3 GLN 50 HG3 GLN 50 -7.992 -19.272 -1.952 336 HE21 GLN 50 HE21 GLN 50 -7.808 -20.230 0.906 337 HE22 GLN 50 HE22 GLN 50 -6.454 -21.253 0.951 338 H TRP 51 H TRP 51 -7.262 -14.516 -2.019 339 HA TRP 51 HA TRP 51 -5.186 -13.607 -3.910 340 HB2 TRP 51 HB2 TRP 51 -7.568 -12.191 -2.724 341 HB3 TRP 51 HB3 TRP 51 -6.234 -11.312 -3.466 342 HD1 TRP 51 HD1 TRP 51 -8.497 -14.338 -4.472 343 HE1 TRP 51 HE1 TRP 51 -9.111 -14.034 -6.954 344 HE3 TRP 51 HE3 TRP 51 -5.928 -10.036 -5.541 345 HZ2 TRP 51 HZ2 TRP 51 -8.581 -12.242 -9.117 346 HZ3 TRP 51 HZ3 TRP 51 -6.000 -9.064 -7.823 347 HH2 TRP 51 HH2 TRP 51 -7.321 -10.158 -9.611 348 H GLN 52 H GLN 52 -3.609 -12.106 -3.138 349 HA GLN 52 HA GLN 52 -3.222 -12.209 -0.199 350 HB2 GLN 52 HB2 GLN 52 -1.151 -11.899 -2.393 351 HB3 GLN 52 HB3 GLN 52 -0.813 -11.912 -0.664 352 HG2 GLN 52 HG2 GLN 52 -2.069 -14.197 -2.222 353 HG3 GLN 52 HG3 GLN 52 -0.392 -14.127 -1.690 354 HE21 GLN 52 HE21 GLN 52 -2.956 -15.823 -0.894 355 HE22 GLN 52 HE22 GLN 52 -2.877 -15.818 0.801 356 H MET 53 H MET 53 -2.711 -10.347 0.922 357 HA MET 53 HA MET 53 -2.819 -7.819 -0.599 358 HB2 MET 53 HB2 MET 53 -4.189 -8.461 2.014 359 HB3 MET 53 HB3 MET 53 -4.044 -6.839 1.339 360 HG2 MET 53 HG2 MET 53 -5.279 -7.466 -0.630 361 HG3 MET 53 HG3 MET 53 -5.293 -9.159 -0.146 362 HE1 MET 53 HE1 MET 53 -6.572 -5.616 0.365 363 HE2 MET 53 HE2 MET 53 -5.797 -5.835 1.929 364 HE3 MET 53 HE3 MET 53 -7.547 -5.681 1.840 365 H SER 54 H SER 54 -1.521 -6.179 0.042 366 HA SER 54 HA SER 54 0.359 -6.744 2.265 367 HB2 SER 54 HB2 SER 54 1.631 -6.776 0.242 368 HB3 SER 54 HB3 SER 54 0.859 -5.313 -0.350 369 HG SER 54 HG SER 54 2.807 -4.723 0.530 370 H LEU 55 H LEU 55 0.218 -5.428 3.909 371 HA LEU 55 HA LEU 55 -1.026 -2.756 3.550 372 HB2 LEU 55 HB2 LEU 55 -1.020 -4.557 5.994 373 HB3 LEU 55 HB3 LEU 55 -1.781 -2.969 5.882 374 HG LEU 55 HG LEU 55 -2.509 -5.291 4.067 375 HD11 LEU 55 HD11 LEU 55 -3.100 -5.986 6.275 376 HD12 LEU 55 HD12 LEU 55 -4.584 -5.367 5.552 377 HD13 LEU 55 HD13 LEU 55 -3.680 -4.377 6.698 378 HD21 LEU 55 HD21 LEU 55 -3.175 -3.199 3.097 379 HD22 LEU 55 HD22 LEU 55 -3.711 -2.566 4.651 380 HD23 LEU 55 HD23 LEU 55 -4.630 -3.844 3.855 381 H GLY 56 H GLY 56 0.090 -1.001 4.262 382 HA2 GLY 56 HA2 GLY 56 2.253 -1.291 6.177 383 HA3 GLY 56 HA3 GLY 56 2.776 -0.868 4.551 384 H THR 57 H THR 57 3.121 0.711 6.890 385 HA THR 57 HA THR 57 1.614 3.127 6.113 386 HB THR 57 HB THR 57 1.347 3.756 8.470 387 HG1 THR 57 HG1 THR 57 2.747 2.806 9.711 388 HG21 THR 57 HG21 THR 57 -0.375 2.326 7.255 389 HG22 THR 57 HG22 THR 57 -0.430 2.255 9.018 390 HG23 THR 57 HG23 THR 57 0.309 0.940 8.104 391 H SER 58 H SER 58 2.644 5.137 6.807 392 HA SER 58 HA SER 58 5.442 5.174 6.282 393 HB2 SER 58 HB2 SER 58 4.045 7.059 5.657 394 HB3 SER 58 HB3 SER 58 3.597 7.319 7.342 395 HG SER 58 HG SER 58 6.177 7.529 6.162 396 H GLU 59 H GLU 59 7.123 5.979 7.696 397 HA GLU 59 HA GLU 59 7.371 4.585 10.079 398 HB2 GLU 59 HB2 GLU 59 9.297 6.068 10.584 399 HB3 GLU 59 HB3 GLU 59 9.314 5.513 8.911 400 HG2 GLU 59 HG2 GLU 59 8.227 7.668 8.229 401 HG3 GLU 59 HG3 GLU 59 8.356 8.224 9.898 402 H ASP 60 H ASP 60 6.182 7.887 9.598 403 HA ASP 60 HA ASP 60 5.544 8.051 12.476 404 HB2 ASP 60 HB2 ASP 60 5.222 10.455 12.137 405 HB3 ASP 60 HB3 ASP 60 6.818 9.957 11.584 406 H HIS 61 H HIS 61 4.074 6.697 10.020 407 HA HIS 61 HA HIS 61 1.936 6.194 9.441 408 HB2 HIS 61 HB2 HIS 61 1.442 7.322 12.202 409 HB3 HIS 61 HB3 HIS 61 0.206 6.505 11.238 410 HD2 HIS 61 HD2 HIS 61 3.908 5.495 12.397 411 HE1 HIS 61 HE1 HIS 61 1.436 2.072 12.424 412 HE2 HIS 61 HE2 HIS 61 3.774 2.938 12.899 413 H GLN 62 H GLN 62 2.999 8.741 8.567 414 HA GLN 62 HA GLN 62 0.874 10.685 8.657 415 HB2 GLN 62 HB2 GLN 62 2.212 11.919 6.992 416 HB3 GLN 62 HB3 GLN 62 3.196 11.429 8.372 417 HG2 GLN 62 HG2 GLN 62 4.067 9.526 7.109 418 HG3 GLN 62 HG3 GLN 62 3.034 9.930 5.749 419 HE21 GLN 62 HE21 GLN 62 6.179 10.184 6.726 420 HE22 GLN 62 HE22 GLN 62 6.623 11.606 5.912 421 H HIS 63 H HIS 63 1.811 8.044 6.555 422 HA HIS 63 HA HIS 63 -0.627 8.488 4.961 423 HB2 HIS 63 HB2 HIS 63 2.083 7.666 3.899 424 HB3 HIS 63 HB3 HIS 63 0.585 7.577 2.975 425 HD2 HIS 63 HD2 HIS 63 3.359 10.077 3.535 426 HE1 HIS 63 HE1 HIS 63 0.010 12.353 2.358 427 HE2 HIS 63 HE2 HIS 63 2.526 12.403 2.698 428 H PHE 64 H PHE 64 -1.748 6.691 4.342 429 HA PHE 64 HA PHE 64 -0.822 4.075 5.397 430 HB2 PHE 64 HB2 PHE 64 -3.632 5.196 5.302 431 HB3 PHE 64 HB3 PHE 64 -3.246 3.519 5.703 432 HD1 PHE 64 HD1 PHE 64 -2.908 7.046 6.789 433 HD2 PHE 64 HD2 PHE 64 -2.254 2.930 7.825 434 HE1 PHE 64 HE1 PHE 64 -2.456 7.707 9.136 435 HE2 PHE 64 HE2 PHE 64 -1.802 3.592 10.171 436 HZ PHE 64 HZ PHE 64 -1.902 5.982 10.826 437 H THR 65 H THR 65 -0.995 2.288 4.041 438 HA THR 65 HA THR 65 -2.309 2.686 1.438 439 HB THR 65 HB THR 65 0.025 3.273 1.064 440 HG1 THR 65 HG1 THR 65 0.224 2.024 -0.676 441 HG21 THR 65 HG21 THR 65 1.765 1.445 1.330 442 HG22 THR 65 HG22 THR 65 0.573 0.553 2.275 443 HG23 THR 65 HG23 THR 65 1.156 2.118 2.842 444 H CYS 66 H CYS 66 -3.119 0.932 0.452 445 HA CYS 66 HA CYS 66 -2.747 -1.704 1.700 446 HB2 CYS 66 HB2 CYS 66 -5.405 -0.489 0.880 447 HB3 CYS 66 HB3 CYS 66 -5.166 -2.168 1.374 448 H THR 67 H THR 67 -2.480 -3.364 0.265 449 HA THR 67 HA THR 67 -2.934 -2.796 -2.606 450 HB THR 67 HB THR 67 -0.512 -4.210 -1.470 451 HG1 THR 67 HG1 THR 67 0.507 -2.331 -1.649 452 HG21 THR 67 HG21 THR 67 0.351 -3.989 -3.782 453 HG22 THR 67 HG22 THR 67 -1.181 -3.269 -4.275 454 HG23 THR 67 HG23 THR 67 -1.129 -4.946 -3.735 455 H ILE 68 H ILE 68 -3.690 -4.401 -3.855 456 HA ILE 68 HA ILE 68 -4.085 -7.093 -2.674 457 HB ILE 68 HB ILE 68 -6.268 -5.820 -4.310 458 HG12 ILE 68 HG12 ILE 68 -7.289 -5.486 -1.759 459 HG13 ILE 68 HG13 ILE 68 -5.578 -5.168 -1.448 460 HG21 ILE 68 HG21 ILE 68 -7.605 -7.421 -2.724 461 HG22 ILE 68 HG22 ILE 68 -6.029 -8.157 -2.438 462 HG23 ILE 68 HG23 ILE 68 -6.684 -8.085 -4.071 463 HD11 ILE 68 HD11 ILE 68 -6.216 -3.046 -2.035 464 HD12 ILE 68 HD12 ILE 68 -7.528 -3.602 -3.072 465 HD13 ILE 68 HD13 ILE 68 -5.870 -3.642 -3.654 466 H TRP 69 H TRP 69 -3.428 -8.681 -4.056 467 HA TRP 69 HA TRP 69 -3.929 -8.405 -6.912 468 HB2 TRP 69 HB2 TRP 69 -1.650 -8.643 -7.685 469 HB3 TRP 69 HB3 TRP 69 -1.722 -7.260 -6.599 470 HD1 TRP 69 HD1 TRP 69 -0.089 -10.599 -7.066 471 HE1 TRP 69 HE1 TRP 69 1.510 -11.081 -5.103 472 HE3 TRP 69 HE3 TRP 69 -1.437 -6.841 -3.925 473 HZ2 TRP 69 HZ2 TRP 69 2.127 -10.011 -2.532 474 HZ3 TRP 69 HZ3 TRP 69 -0.330 -6.588 -1.705 475 HH2 TRP 69 HH2 TRP 69 1.453 -8.182 -1.018 476 H ARG 70 H ARG 70 -3.294 -10.350 -8.173 477 HA ARG 70 HA ARG 70 -4.107 -12.756 -6.815 478 HB2 ARG 70 HB2 ARG 70 -4.858 -12.161 -9.117 479 HB3 ARG 70 HB3 ARG 70 -3.193 -12.304 -9.672 480 HG2 ARG 70 HG2 ARG 70 -4.213 -14.385 -10.205 481 HG3 ARG 70 HG3 ARG 70 -3.251 -14.703 -8.756 482 HD2 ARG 70 HD2 ARG 70 -5.173 -14.663 -7.353 483 HD3 ARG 70 HD3 ARG 70 -6.175 -13.932 -8.602 484 HE ARG 70 HE ARG 70 -6.424 -16.041 -9.613 485 HH11 ARG 70 HH11 ARG 70 -4.115 -16.266 -6.987 486 HH12 ARG 70 HH12 ARG 70 -4.132 -17.996 -6.960 487 HH21 ARG 70 HH21 ARG 70 -6.439 -18.281 -9.539 488 HH22 ARG 70 HH22 ARG 70 -5.451 -19.133 -8.403 489 HA PRO 71 HA PRO 71 0.303 -13.643 -5.912 490 HB2 PRO 71 HB2 PRO 71 0.026 -16.038 -4.687 491 HB3 PRO 71 HB3 PRO 71 -0.402 -14.498 -3.904 492 HG2 PRO 71 HG2 PRO 71 -2.183 -16.468 -5.265 493 HG3 PRO 71 HG3 PRO 71 -2.392 -15.663 -3.695 494 HD2 PRO 71 HD2 PRO 71 -3.659 -14.766 -5.901 495 HD3 PRO 71 HD3 PRO 71 -3.058 -13.650 -4.658 496 H GLN 72 H GLN 72 -1.859 -15.765 -7.686 497 HA GLN 72 HA GLN 72 0.353 -17.387 -8.687 498 HB2 GLN 72 HB2 GLN 72 -2.637 -17.630 -8.898 499 HB3 GLN 72 HB3 GLN 72 -1.531 -18.692 -9.789 500 HG2 GLN 72 HG2 GLN 72 -0.522 -19.453 -7.706 501 HG3 GLN 72 HG3 GLN 72 -1.468 -18.288 -6.781 502 HE21 GLN 72 HE21 GLN 72 -1.457 -21.305 -6.613 503 HE22 GLN 72 HE22 GLN 72 -3.073 -21.766 -6.857 504 H GLY 73 H GLY 73 -1.290 -14.566 -9.652 505 HA2 GLY 73 HA2 GLY 73 -0.139 -13.530 -11.613 506 HA3 GLY 73 HA3 GLY 73 -0.550 -15.014 -12.473 507 H LYS 74 H LYS 74 -2.787 -15.498 -12.847 508 HA LYS 74 HA LYS 74 -4.628 -13.232 -12.572 509 HB2 LYS 74 HB2 LYS 74 -4.093 -14.638 -15.192 510 HB3 LYS 74 HB3 LYS 74 -5.276 -13.355 -14.913 511 HG2 LYS 74 HG2 LYS 74 -3.306 -11.924 -14.077 512 HG3 LYS 74 HG3 LYS 74 -2.261 -13.166 -14.753 513 HD2 LYS 74 HD2 LYS 74 -2.461 -11.542 -16.483 514 HD3 LYS 74 HD3 LYS 74 -3.521 -12.873 -16.957 515 HE2 LYS 74 HE2 LYS 74 -5.472 -11.704 -16.199 516 HE3 LYS 74 HE3 LYS 74 -4.490 -10.465 -15.415 517 HZ1 LYS 74 HZ1 LYS 74 -3.979 -9.488 -17.404 518 HZ2 LYS 74 HZ2 LYS 74 -5.525 -10.088 -17.781 519 HZ3 LYS 74 HZ3 LYS 74 -4.135 -10.925 -18.289 520 H SER 75 H SER 75 -6.845 -13.721 -12.867 521 HA SER 75 HA SER 75 -7.511 -16.563 -12.360 522 HB2 SER 75 HB2 SER 75 -7.907 -15.116 -10.414 523 HB3 SER 75 HB3 SER 75 -8.899 -14.057 -11.406 524 HG SER 75 HG SER 75 -9.365 -16.804 -10.834 525 H TYR 76 H TYR 76 -9.075 -17.517 -13.596 526 HA TYR 76 HA TYR 76 -10.239 -15.883 -15.753 527 HB2 TYR 76 HB2 TYR 76 -9.904 -18.872 -15.432 528 HB3 TYR 76 HB3 TYR 76 -10.841 -18.138 -16.738 529 HD1 TYR 76 HD1 TYR 76 -7.476 -18.684 -15.360 530 HD2 TYR 76 HD2 TYR 76 -9.746 -16.757 -18.458 531 HE1 TYR 76 HE1 TYR 76 -5.389 -18.277 -16.637 532 HE2 TYR 76 HE2 TYR 76 -7.661 -16.349 -19.734 533 HH TYR 76 HH TYR 76 -5.330 -16.240 -19.468 534 H LEU 77 H LEU 77 -11.799 -14.872 -14.544 535 HA LEU 77 HA LEU 77 -14.224 -16.448 -14.058 536 HB2 LEU 77 HB2 LEU 77 -12.958 -14.520 -12.092 537 HB3 LEU 77 HB3 LEU 77 -14.640 -15.049 -11.987 538 HG LEU 77 HG LEU 77 -12.321 -17.005 -12.067 539 HD11 LEU 77 HD11 LEU 77 -12.130 -15.502 -10.095 540 HD12 LEU 77 HD12 LEU 77 -12.535 -17.154 -9.628 541 HD13 LEU 77 HD13 LEU 77 -13.785 -15.911 -9.647 542 HD21 LEU 77 HD21 LEU 77 -14.510 -17.958 -12.643 543 HD22 LEU 77 HD22 LEU 77 -15.233 -17.201 -11.224 544 HD23 LEU 77 HD23 LEU 77 -14.054 -18.496 -11.026 545 H TYR 78 H TYR 78 -16.191 -15.195 -14.362 546 HA TYR 78 HA TYR 78 -15.736 -12.887 -16.080 547 HB2 TYR 78 HB2 TYR 78 -17.396 -14.675 -16.642 548 HB3 TYR 78 HB3 TYR 78 -18.366 -14.151 -15.268 549 HD1 TYR 78 HD1 TYR 78 -16.998 -13.152 -18.565 550 HD2 TYR 78 HD2 TYR 78 -19.656 -12.108 -15.356 551 HE1 TYR 78 HE1 TYR 78 -17.998 -11.372 -19.973 552 HE2 TYR 78 HE2 TYR 78 -20.655 -10.328 -16.764 553 HH TYR 78 HH TYR 78 -20.813 -10.048 -19.533 554 H PHE 79 H PHE 79 -14.920 -11.420 -14.599 555 HA PHE 79 HA PHE 79 -16.282 -10.658 -12.197 556 HB2 PHE 79 HB2 PHE 79 -13.793 -10.016 -13.525 557 HB3 PHE 79 HB3 PHE 79 -14.576 -8.511 -13.079 558 HD1 PHE 79 HD1 PHE 79 -13.386 -11.794 -11.740 559 HD2 PHE 79 HD2 PHE 79 -14.604 -7.780 -10.809 560 HE1 PHE 79 HE1 PHE 79 -12.601 -12.093 -9.405 561 HE2 PHE 79 HE2 PHE 79 -13.821 -8.080 -8.478 562 HZ PHE 79 HZ PHE 79 -12.817 -10.235 -7.774 563 H THR 80 H THR 80 -17.885 -9.281 -11.931 564 HA THR 80 HA THR 80 -19.146 -8.013 -14.190 565 HB THR 80 HB THR 80 -19.725 -7.714 -11.223 566 HG1 THR 80 HG1 THR 80 -20.988 -9.417 -11.455 567 HG21 THR 80 HG21 THR 80 -21.551 -7.149 -13.574 568 HG22 THR 80 HG22 THR 80 -20.604 -5.896 -12.772 569 HG23 THR 80 HG23 THR 80 -21.841 -6.777 -11.874 570 H GLN 81 H GLN 81 -17.278 -6.995 -11.362 571 HA GLN 81 HA GLN 81 -15.864 -4.930 -12.560 572 HB2 GLN 81 HB2 GLN 81 -16.970 -2.896 -11.630 573 HB3 GLN 81 HB3 GLN 81 -17.960 -3.685 -12.855 574 HG2 GLN 81 HG2 GLN 81 -19.210 -4.845 -11.001 575 HG3 GLN 81 HG3 GLN 81 -18.276 -3.898 -9.841 576 HE21 GLN 81 HE21 GLN 81 -21.264 -3.925 -11.150 577 HE22 GLN 81 HE22 GLN 81 -21.576 -2.259 -11.239 578 H PHE 82 H PHE 82 -14.921 -3.372 -10.832 579 HA PHE 82 HA PHE 82 -14.937 -4.581 -8.165 580 HB2 PHE 82 HB2 PHE 82 -12.497 -4.520 -8.007 581 HB3 PHE 82 HB3 PHE 82 -13.077 -5.625 -9.251 582 HD1 PHE 82 HD1 PHE 82 -11.398 -2.400 -8.612 583 HD2 PHE 82 HD2 PHE 82 -12.685 -5.180 -11.622 584 HE1 PHE 82 HE1 PHE 82 -10.014 -1.217 -10.296 585 HE2 PHE 82 HE2 PHE 82 -11.302 -3.997 -13.306 586 HZ PHE 82 HZ PHE 82 -9.966 -2.016 -12.643 587 H LYS 83 H LYS 83 -14.326 -3.230 -6.474 588 HA LYS 83 HA LYS 83 -13.869 -0.404 -7.120 589 HB2 LYS 83 HB2 LYS 83 -16.146 -1.277 -5.313 590 HB3 LYS 83 HB3 LYS 83 -15.771 0.365 -5.851 591 HG2 LYS 83 HG2 LYS 83 -16.120 -0.504 -8.254 592 HG3 LYS 83 HG3 LYS 83 -16.769 -1.950 -7.516 593 HD2 LYS 83 HD2 LYS 83 -18.481 -0.682 -6.321 594 HD3 LYS 83 HD3 LYS 83 -17.872 0.824 -7.012 595 HE2 LYS 83 HE2 LYS 83 -18.365 -0.001 -9.273 596 HE3 LYS 83 HE3 LYS 83 -18.968 -1.518 -8.604 597 HZ1 LYS 83 HZ1 LYS 83 -20.495 0.026 -7.240 598 HZ2 LYS 83 HZ2 LYS 83 -20.878 -0.275 -8.867 599 HZ3 LYS 83 HZ3 LYS 83 -20.132 1.185 -8.421 600 H ALA 84 H ALA 84 -13.033 0.828 -5.385 601 HA ALA 84 HA ALA 84 -12.399 -0.580 -2.892 602 HB1 ALA 84 HB1 ALA 84 -10.454 -1.026 -4.272 603 HB2 ALA 84 HB2 ALA 84 -10.026 0.155 -3.034 604 HB3 ALA 84 HB3 ALA 84 -10.321 0.682 -4.692 605 H GLU 85 H GLU 85 -12.209 0.749 -1.120 606 HA GLU 85 HA GLU 85 -12.020 3.621 -1.440 607 HB2 GLU 85 HB2 GLU 85 -14.155 4.117 -0.310 608 HB3 GLU 85 HB3 GLU 85 -14.416 3.246 -1.822 609 HG2 GLU 85 HG2 GLU 85 -14.640 1.119 -0.571 610 HG3 GLU 85 HG3 GLU 85 -14.406 1.996 0.944 611 H VAL 86 H VAL 86 -12.110 4.715 0.769 612 HA VAL 86 HA VAL 86 -11.064 2.905 2.867 613 HB VAL 86 HB VAL 86 -9.444 4.649 3.517 614 HG11 VAL 86 HG11 VAL 86 -7.898 4.304 1.605 615 HG12 VAL 86 HG12 VAL 86 -9.253 3.749 0.623 616 HG13 VAL 86 HG13 VAL 86 -8.745 2.816 2.030 617 HG21 VAL 86 HG21 VAL 86 -10.309 6.001 0.931 618 HG22 VAL 86 HG22 VAL 86 -8.985 6.524 1.971 619 HG23 VAL 86 HG23 VAL 86 -10.646 6.602 2.554 620 H ARG 87 H ARG 87 -11.163 3.767 5.047 621 HA ARG 87 HA ARG 87 -13.342 5.729 5.421 622 HB2 ARG 87 HB2 ARG 87 -12.871 3.207 7.033 623 HB3 ARG 87 HB3 ARG 87 -14.115 4.415 7.359 624 HG2 ARG 87 HG2 ARG 87 -13.921 2.893 4.737 625 HG3 ARG 87 HG3 ARG 87 -14.920 2.368 6.089 626 HD2 ARG 87 HD2 ARG 87 -15.161 5.038 4.674 627 HD3 ARG 87 HD3 ARG 87 -16.232 3.660 4.435 628 HE ARG 87 HE ARG 87 -16.209 5.469 6.714 629 HH11 ARG 87 HH11 ARG 87 -17.219 2.315 5.539 630 HH12 ARG 87 HH12 ARG 87 -18.470 2.140 6.725 631 HH21 ARG 87 HH21 ARG 87 -17.854 5.200 8.241 632 HH22 ARG 87 HH22 ARG 87 -18.826 3.765 8.243 633 H GLY 88 H GLY 88 -13.010 7.285 6.905 634 HA2 GLY 88 HA2 GLY 88 -12.078 8.406 8.717 635 HA3 GLY 88 HA3 GLY 88 -11.060 7.009 9.009 636 H ALA 89 H ALA 89 -10.680 7.784 5.788 637 HA ALA 89 HA ALA 89 -8.722 9.914 6.120 638 HB1 ALA 89 HB1 ALA 89 -7.158 8.279 6.596 639 HB2 ALA 89 HB2 ALA 89 -7.040 8.342 4.838 640 HB3 ALA 89 HB3 ALA 89 -7.972 7.062 5.613 641 H GLU 90 H GLU 90 -7.862 10.675 4.066 642 HA GLU 90 HA GLU 90 -9.760 10.194 1.858 643 HB2 GLU 90 HB2 GLU 90 -9.027 12.395 0.984 644 HB3 GLU 90 HB3 GLU 90 -9.702 12.522 2.607 645 HG2 GLU 90 HG2 GLU 90 -7.403 12.519 3.554 646 HG3 GLU 90 HG3 GLU 90 -6.740 12.426 1.924 647 H ILE 91 H ILE 91 -9.053 9.731 -0.199 648 HA ILE 91 HA ILE 91 -6.424 8.490 -0.342 649 HB ILE 91 HB ILE 91 -8.678 8.534 -2.388 650 HG12 ILE 91 HG12 ILE 91 -7.828 6.270 -0.539 651 HG13 ILE 91 HG13 ILE 91 -9.119 7.400 -0.127 652 HG21 ILE 91 HG21 ILE 91 -6.306 6.637 -2.232 653 HG22 ILE 91 HG22 ILE 91 -6.295 8.079 -3.246 654 HG23 ILE 91 HG23 ILE 91 -7.468 6.799 -3.547 655 HD11 ILE 91 HD11 ILE 91 -9.045 5.549 -2.535 656 HD12 ILE 91 HD12 ILE 91 -10.297 6.756 -2.244 657 HD13 ILE 91 HD13 ILE 91 -10.103 5.402 -1.131 658 H GLU 92 H GLU 92 -4.689 9.540 -1.017 659 HA GLU 92 HA GLU 92 -4.931 12.010 -2.522 660 HB2 GLU 92 HB2 GLU 92 -2.554 10.532 -1.402 661 HB3 GLU 92 HB3 GLU 92 -2.399 11.967 -2.417 662 HG2 GLU 92 HG2 GLU 92 -3.899 13.180 -0.812 663 HG3 GLU 92 HG3 GLU 92 -3.828 11.766 0.245 664 H TYR 93 H TYR 93 -3.913 8.671 -3.043 665 HA TYR 93 HA TYR 93 -4.220 8.993 -5.888 666 HB2 TYR 93 HB2 TYR 93 -1.707 9.554 -4.937 667 HB3 TYR 93 HB3 TYR 93 -1.548 7.834 -5.280 668 HD1 TYR 93 HD1 TYR 93 -2.805 11.023 -6.800 669 HD2 TYR 93 HD2 TYR 93 -1.069 7.157 -7.503 670 HE1 TYR 93 HE1 TYR 93 -2.563 11.572 -9.203 671 HE2 TYR 93 HE2 TYR 93 -0.827 7.712 -9.912 672 HH TYR 93 HH TYR 93 -1.971 9.291 -11.560 673 H ALA 94 H ALA 94 -4.906 7.175 -6.778 674 HA ALA 94 HA ALA 94 -4.338 4.554 -5.594 675 HB1 ALA 94 HB1 ALA 94 -6.403 5.247 -4.484 676 HB2 ALA 94 HB2 ALA 94 -6.728 3.938 -5.619 677 HB3 ALA 94 HB3 ALA 94 -7.144 5.598 -6.045 678 H MET 95 H MET 95 -4.414 2.890 -7.085 679 HA MET 95 HA MET 95 -5.518 3.254 -9.727 680 HB2 MET 95 HB2 MET 95 -3.387 3.008 -10.954 681 HB3 MET 95 HB3 MET 95 -3.405 4.484 -9.984 682 HG2 MET 95 HG2 MET 95 -2.118 3.334 -8.207 683 HG3 MET 95 HG3 MET 95 -2.103 1.861 -9.180 684 HE1 MET 95 HE1 MET 95 -0.339 5.895 -10.332 685 HE2 MET 95 HE2 MET 95 -0.101 5.386 -8.668 686 HE3 MET 95 HE3 MET 95 -1.735 5.532 -9.306 687 H ALA 96 H ALA 96 -5.078 1.348 -11.134 688 HA ALA 96 HA ALA 96 -4.450 -1.099 -9.639 689 HB1 ALA 96 HB1 ALA 96 -6.810 -1.010 -11.508 690 HB2 ALA 96 HB2 ALA 96 -6.987 -0.642 -9.792 691 HB3 ALA 96 HB3 ALA 96 -6.412 -2.228 -10.299 692 H TYR 97 H TYR 97 -3.404 -2.647 -10.836 693 HA TYR 97 HA TYR 97 -2.742 -1.881 -13.624 694 HB2 TYR 97 HB2 TYR 97 -1.199 -3.433 -11.564 695 HB3 TYR 97 HB3 TYR 97 -0.730 -3.363 -13.262 696 HD1 TYR 97 HD1 TYR 97 -1.157 -1.405 -10.149 697 HD2 TYR 97 HD2 TYR 97 0.189 -1.347 -14.227 698 HE1 TYR 97 HE1 TYR 97 -0.006 0.757 -9.741 699 HE2 TYR 97 HE2 TYR 97 1.333 0.811 -13.820 700 HH TYR 97 HH TYR 97 2.153 1.948 -10.986 701 H SER 98 H SER 98 -4.019 -2.955 -14.969 702 HA SER 98 HA SER 98 -5.057 -5.579 -14.531 703 HB2 SER 98 HB2 SER 98 -4.825 -3.880 -17.012 704 HB3 SER 98 HB3 SER 98 -5.611 -5.459 -16.982 705 HG SER 98 HG SER 98 -7.258 -4.583 -15.987 706 H LYS 99 H LYS 99 -2.282 -4.262 -16.253 707 HA LYS 99 HA LYS 99 -1.224 -7.016 -16.537 708 HB2 LYS 99 HB2 LYS 99 -1.979 -6.103 -18.736 709 HB3 LYS 99 HB3 LYS 99 -0.852 -4.764 -18.536 710 HG2 LYS 99 HG2 LYS 99 0.286 -6.369 -19.904 711 HG3 LYS 99 HG3 LYS 99 0.992 -6.528 -18.294 712 HD2 LYS 99 HD2 LYS 99 -0.433 -8.466 -17.826 713 HD3 LYS 99 HD3 LYS 99 -1.230 -8.285 -19.390 714 HE2 LYS 99 HE2 LYS 99 0.447 -10.004 -19.625 715 HE3 LYS 99 HE3 LYS 99 1.028 -8.575 -20.478 716 HZ1 LYS 99 HZ1 LYS 99 2.779 -9.488 -19.125 717 HZ2 LYS 99 HZ2 LYS 99 1.799 -9.425 -17.739 718 HZ3 LYS 99 HZ3 LYS 99 2.310 -7.989 -18.488 719 H ALA 100 H ALA 100 0.729 -7.344 -15.720 720 HA ALA 100 HA ALA 100 2.215 -5.062 -14.623 721 HB1 ALA 100 HB1 ALA 100 3.404 -6.696 -13.283 722 HB2 ALA 100 HB2 ALA 100 2.662 -8.021 -14.179 723 HB3 ALA 100 HB3 ALA 100 1.670 -6.993 -13.145 724 H ALA 101 H ALA 101 4.177 -4.457 -15.330 725 HA ALA 101 HA ALA 101 5.060 -5.135 -17.912 726 HB1 ALA 101 HB1 ALA 101 6.283 -3.638 -15.623 727 HB2 ALA 101 HB2 ALA 101 5.790 -3.049 -17.210 728 HB3 ALA 101 HB3 ALA 101 7.256 -4.014 -17.044 729 H PHE 102 H PHE 102 6.351 -6.583 -18.714 730 HA PHE 102 HA PHE 102 7.836 -8.389 -16.916 731 HB2 PHE 102 HB2 PHE 102 5.892 -9.322 -18.394 732 HB3 PHE 102 HB3 PHE 102 7.027 -9.116 -19.731 733 HD1 PHE 102 HD1 PHE 102 6.725 -10.649 -16.327 734 HD2 PHE 102 HD2 PHE 102 8.665 -10.778 -20.160 735 HE1 PHE 102 HE1 PHE 102 7.832 -12.776 -15.697 736 HE2 PHE 102 HE2 PHE 102 9.772 -12.905 -19.525 737 HZ PHE 102 HZ PHE 102 9.355 -13.902 -17.295 738 H GLU 103 H GLU 103 9.782 -9.395 -18.133 739 HA GLU 103 HA GLU 103 11.603 -7.374 -18.783 740 HB2 GLU 103 HB2 GLU 103 12.229 -9.679 -18.044 741 HB3 GLU 103 HB3 GLU 103 11.745 -10.286 -19.630 742 HG2 GLU 103 HG2 GLU 103 13.426 -8.849 -20.715 743 HG3 GLU 103 HG3 GLU 103 13.900 -8.195 -19.147 744 H ARG 104 H ARG 104 9.558 -9.395 -20.867 745 HA ARG 104 HA ARG 104 10.445 -7.851 -23.223 746 HB2 ARG 104 HB2 ARG 104 9.168 -10.574 -22.993 747 HB3 ARG 104 HB3 ARG 104 9.407 -9.729 -24.527 748 HG2 ARG 104 HG2 ARG 104 11.858 -9.537 -23.934 749 HG3 ARG 104 HG3 ARG 104 11.543 -10.615 -22.568 750 HD2 ARG 104 HD2 ARG 104 10.951 -11.284 -25.464 751 HD3 ARG 104 HD3 ARG 104 12.374 -11.829 -24.584 752 HE ARG 104 HE ARG 104 9.630 -12.789 -24.244 753 HH11 ARG 104 HH11 ARG 104 12.896 -12.731 -22.940 754 HH12 ARG 104 HH12 ARG 104 12.662 -14.147 -21.970 755 HH21 ARG 104 HH21 ARG 104 9.375 -14.637 -22.966 756 HH22 ARG 104 HH22 ARG 104 10.681 -15.215 -21.987 757 H GLU 105 H GLU 105 8.063 -7.555 -21.002 758 HA GLU 105 HA GLU 105 6.121 -6.588 -23.008 759 HB2 GLU 105 HB2 GLU 105 5.371 -8.119 -20.498 760 HB3 GLU 105 HB3 GLU 105 4.253 -7.422 -21.663 761 HG2 GLU 105 HG2 GLU 105 5.240 -8.870 -23.440 762 HG3 GLU 105 HG3 GLU 105 6.266 -9.619 -22.219 763 H SER 106 H SER 106 4.755 -4.878 -22.317 764 HA SER 106 HA SER 106 5.858 -3.290 -20.066 765 HB2 SER 106 HB2 SER 106 4.909 -1.343 -21.174 766 HB3 SER 106 HB3 SER 106 5.924 -2.226 -22.314 767 HG SER 106 HG SER 106 4.170 -2.861 -23.385 768 H ASP 107 H ASP 107 4.488 -2.178 -18.703 769 HA ASP 107 HA ASP 107 2.206 -3.759 -17.940 770 HB2 ASP 107 HB2 ASP 107 2.218 -2.474 -15.943 771 HB3 ASP 107 HB3 ASP 107 3.890 -2.818 -16.336 772 H VAL 108 H VAL 108 0.107 -2.885 -17.480 773 HA VAL 108 HA VAL 108 -0.607 -0.490 -19.072 774 HB VAL 108 HB VAL 108 -2.233 -3.050 -18.828 775 HG11 VAL 108 HG11 VAL 108 -3.682 -1.898 -20.559 776 HG12 VAL 108 HG12 VAL 108 -2.771 -0.419 -20.252 777 HG13 VAL 108 HG13 VAL 108 -3.730 -1.147 -18.963 778 HG21 VAL 108 HG21 VAL 108 -0.195 -3.088 -20.366 779 HG22 VAL 108 HG22 VAL 108 -0.984 -1.825 -21.311 780 HG23 VAL 108 HG23 VAL 108 -1.735 -3.413 -21.162 781 HA PRO 109 HA PRO 109 -2.337 0.248 -14.841 782 HB2 PRO 109 HB2 PRO 109 -2.033 2.866 -14.678 783 HB3 PRO 109 HB3 PRO 109 -0.600 1.813 -14.657 784 HG2 PRO 109 HG2 PRO 109 -1.722 3.386 -16.935 785 HG3 PRO 109 HG3 PRO 109 -0.033 3.220 -16.408 786 HD2 PRO 109 HD2 PRO 109 -1.163 1.747 -18.467 787 HD3 PRO 109 HD3 PRO 109 0.254 1.222 -17.526 788 H LEU 110 H LEU 110 -4.296 0.880 -14.154 789 HA LEU 110 HA LEU 110 -6.226 1.741 -16.202 790 HB2 LEU 110 HB2 LEU 110 -6.402 0.235 -13.620 791 HB3 LEU 110 HB3 LEU 110 -7.821 1.123 -14.169 792 HG LEU 110 HG LEU 110 -7.798 -1.273 -14.901 793 HD11 LEU 110 HD11 LEU 110 -8.928 0.613 -16.193 794 HD12 LEU 110 HD12 LEU 110 -8.616 -0.870 -17.097 795 HD13 LEU 110 HD13 LEU 110 -7.564 0.530 -17.309 796 HD21 LEU 110 HD21 LEU 110 -5.429 -1.677 -15.294 797 HD22 LEU 110 HD22 LEU 110 -5.374 -0.431 -16.541 798 HD23 LEU 110 HD23 LEU 110 -6.280 -1.907 -16.821 799 H LYS 111 H LYS 111 -7.346 3.614 -16.107 800 HA LYS 111 HA LYS 111 -6.390 5.622 -14.213 801 HB2 LYS 111 HB2 LYS 111 -7.589 7.245 -15.674 802 HB3 LYS 111 HB3 LYS 111 -6.359 6.315 -16.523 803 HG2 LYS 111 HG2 LYS 111 -9.136 5.149 -16.544 804 HG3 LYS 111 HG3 LYS 111 -8.920 6.645 -17.438 805 HD2 LYS 111 HD2 LYS 111 -6.990 4.348 -17.832 806 HD3 LYS 111 HD3 LYS 111 -8.523 4.396 -18.699 807 HE2 LYS 111 HE2 LYS 111 -7.902 6.698 -19.513 808 HE3 LYS 111 HE3 LYS 111 -6.313 6.467 -18.781 809 HZ1 LYS 111 HZ1 LYS 111 -6.631 5.860 -21.239 810 HZ2 LYS 111 HZ2 LYS 111 -7.411 4.469 -20.649 811 HZ3 LYS 111 HZ3 LYS 111 -5.789 4.775 -20.245 812 H THR 112 H THR 112 -8.020 7.305 -13.506 813 HA THR 112 HA THR 112 -9.915 6.117 -11.766 814 HB THR 112 HB THR 112 -8.804 8.237 -11.234 815 HG1 THR 112 HG1 THR 112 -10.509 8.927 -10.200 816 HG21 THR 112 HG21 THR 112 -8.617 9.335 -13.340 817 HG22 THR 112 HG22 THR 112 -9.726 10.325 -12.392 818 HG23 THR 112 HG23 THR 112 -10.354 9.237 -13.629 819 H GLU 113 H GLU 113 -10.170 6.801 -15.068 820 HA GLU 113 HA GLU 113 -12.829 7.641 -15.377 821 HB2 GLU 113 HB2 GLU 113 -10.995 6.057 -17.147 822 HB3 GLU 113 HB3 GLU 113 -12.601 6.574 -17.643 823 HG2 GLU 113 HG2 GLU 113 -10.372 8.420 -16.708 824 HG3 GLU 113 HG3 GLU 113 -10.842 8.178 -18.390 825 H GLU 114 H GLU 114 -11.450 4.451 -14.920 826 HA GLU 114 HA GLU 114 -13.614 2.876 -15.748 827 HB2 GLU 114 HB2 GLU 114 -11.316 2.027 -15.332 828 HB3 GLU 114 HB3 GLU 114 -11.571 2.245 -13.599 829 HG2 GLU 114 HG2 GLU 114 -13.470 0.655 -13.674 830 HG3 GLU 114 HG3 GLU 114 -13.223 0.437 -15.404 831 H PHE 115 H PHE 115 -12.919 4.388 -12.632 832 HA PHE 115 HA PHE 115 -15.674 4.083 -11.795 833 HB2 PHE 115 HB2 PHE 115 -15.215 2.822 -9.735 834 HB3 PHE 115 HB3 PHE 115 -14.826 1.881 -11.177 835 HD1 PHE 115 HD1 PHE 115 -13.447 3.674 -8.277 836 HD2 PHE 115 HD2 PHE 115 -12.495 1.403 -11.791 837 HE1 PHE 115 HE1 PHE 115 -11.122 3.386 -7.458 838 HE2 PHE 115 HE2 PHE 115 -10.170 1.112 -10.977 839 HZ PHE 115 HZ PHE 115 -9.483 2.104 -8.810 840 H GLU 116 H GLU 116 -16.139 5.063 -9.700 841 HA GLU 116 HA GLU 116 -14.320 7.326 -9.138 842 HB2 GLU 116 HB2 GLU 116 -16.442 8.003 -10.165 843 HB3 GLU 116 HB3 GLU 116 -17.338 7.165 -8.900 844 HG2 GLU 116 HG2 GLU 116 -17.245 9.560 -8.389 845 HG3 GLU 116 HG3 GLU 116 -16.314 8.662 -7.197 846 H VAL 117 H VAL 117 -13.609 7.636 -7.112 847 HA VAL 117 HA VAL 117 -14.873 6.147 -4.890 848 HB VAL 117 HB VAL 117 -12.632 5.761 -3.906 849 HG11 VAL 117 HG11 VAL 117 -11.954 3.972 -5.447 850 HG12 VAL 117 HG12 VAL 117 -12.927 4.699 -6.725 851 HG13 VAL 117 HG13 VAL 117 -13.711 4.026 -5.296 852 HG21 VAL 117 HG21 VAL 117 -10.652 6.008 -5.505 853 HG22 VAL 117 HG22 VAL 117 -11.312 7.526 -4.895 854 HG23 VAL 117 HG23 VAL 117 -11.705 6.987 -6.527 855 H THR 118 H THR 118 -14.905 7.162 -2.910 856 HA THR 118 HA THR 118 -13.782 9.858 -2.669 857 HB THR 118 HB THR 118 -16.679 9.330 -1.986 858 HG1 THR 118 HG1 THR 118 -17.035 10.620 -3.893 859 HG21 THR 118 HG21 THR 118 -16.687 11.860 -2.041 860 HG22 THR 118 HG22 THR 118 -14.929 11.787 -2.143 861 HG23 THR 118 HG23 THR 118 -15.757 11.143 -0.727 862 H LYS 119 H LYS 119 -13.710 10.636 -0.492 863 HA LYS 119 HA LYS 119 -12.760 8.752 1.341 864 HB2 LYS 119 HB2 LYS 119 -12.772 10.581 2.981 865 HB3 LYS 119 HB3 LYS 119 -12.134 11.119 1.428 866 HG2 LYS 119 HG2 LYS 119 -14.390 12.044 0.859 867 HG3 LYS 119 HG3 LYS 119 -14.951 11.591 2.470 868 HD2 LYS 119 HD2 LYS 119 -12.543 13.374 2.048 869 HD3 LYS 119 HD3 LYS 119 -14.176 14.022 2.180 870 HE2 LYS 119 HE2 LYS 119 -14.416 12.877 4.386 871 HE3 LYS 119 HE3 LYS 119 -12.740 12.345 4.262 872 HZ1 LYS 119 HZ1 LYS 119 -13.797 15.074 4.603 873 HZ2 LYS 119 HZ2 LYS 119 -12.266 14.833 3.906 874 HZ3 LYS 119 HZ3 LYS 119 -12.583 14.283 5.481 875 H THR 120 H THR 120 -16.033 9.689 0.690 876 HA THR 120 HA THR 120 -16.933 7.929 2.863 877 HB THR 120 HB THR 120 -16.960 10.186 3.791 878 HG1 THR 120 HG1 THR 120 -19.306 10.206 4.199 879 HG21 THR 120 HG21 THR 120 -17.220 11.497 1.756 880 HG22 THR 120 HG22 THR 120 -18.550 11.870 2.854 881 HG23 THR 120 HG23 THR 120 -18.818 10.804 1.476 882 H ALA 121 H ALA 121 -16.963 8.149 -0.285 883 HA ALA 121 HA ALA 121 -19.513 6.815 -0.577 884 HB1 ALA 121 HB1 ALA 121 -19.162 9.204 -2.350 885 HB2 ALA 121 HB2 ALA 121 -19.890 9.390 -0.754 886 HB3 ALA 121 HB3 ALA 121 -20.634 8.321 -1.945 887 H VAL 122 H VAL 122 -19.797 5.820 -2.658 888 HA VAL 122 HA VAL 122 -17.434 5.810 -4.411 889 HB VAL 122 HB VAL 122 -17.573 3.344 -4.637 890 HG11 VAL 122 HG11 VAL 122 -17.156 4.321 -1.812 891 HG12 VAL 122 HG12 VAL 122 -15.974 4.424 -3.119 892 HG13 VAL 122 HG13 VAL 122 -16.487 2.847 -2.517 893 HG21 VAL 122 HG21 VAL 122 -19.865 2.924 -3.937 894 HG22 VAL 122 HG22 VAL 122 -19.563 3.644 -2.357 895 HG23 VAL 122 HG23 VAL 122 -18.799 2.115 -2.788 896 H ALA 123 H ALA 123 -17.816 5.150 -6.564 897 HA ALA 123 HA ALA 123 -20.505 4.568 -7.392 898 HB1 ALA 123 HB1 ALA 123 -21.094 6.519 -8.416 899 HB2 ALA 123 HB2 ALA 123 -19.429 6.943 -8.818 900 HB3 ALA 123 HB3 ALA 123 -20.039 7.208 -7.184 901 H HIS 124 H HIS 124 -20.654 4.034 -9.677 902 HA HIS 124 HA HIS 124 -18.077 3.096 -10.750 903 HB2 HIS 124 HB2 HIS 124 -19.394 1.457 -12.047 904 HB3 HIS 124 HB3 HIS 124 -19.674 1.292 -10.315 905 HD2 HIS 124 HD2 HIS 124 -21.693 1.956 -13.542 906 HE1 HIS 124 HE1 HIS 124 -24.316 2.679 -10.314 907 HE2 HIS 124 HE2 HIS 124 -24.166 2.392 -12.832 908 H ARG 125 H ARG 125 -17.713 3.186 -13.015 909 HA ARG 125 HA ARG 125 -19.033 5.486 -14.322 910 HB2 ARG 125 HB2 ARG 125 -16.219 4.421 -14.609 911 HB3 ARG 125 HB3 ARG 125 -16.881 5.730 -15.576 912 HG2 ARG 125 HG2 ARG 125 -16.799 5.814 -12.545 913 HG3 ARG 125 HG3 ARG 125 -15.512 6.471 -13.561 914 HD2 ARG 125 HD2 ARG 125 -17.219 7.921 -14.694 915 HD3 ARG 125 HD3 ARG 125 -18.424 7.334 -13.550 916 HE ARG 125 HE ARG 125 -17.432 8.648 -11.877 917 HH11 ARG 125 HH11 ARG 125 -15.413 8.664 -14.753 918 HH12 ARG 125 HH12 ARG 125 -14.419 9.968 -14.194 919 HH21 ARG 125 HH21 ARG 125 -16.120 10.366 -11.199 920 HH22 ARG 125 HH22 ARG 125 -14.817 10.920 -12.196 921 HA PRO 126 HA PRO 126 -20.331 2.738 -17.616 922 HB2 PRO 126 HB2 PRO 126 -20.216 4.341 -19.812 923 HB3 PRO 126 HB3 PRO 126 -21.474 4.508 -18.566 924 HG2 PRO 126 HG2 PRO 126 -18.961 6.080 -18.928 925 HG3 PRO 126 HG3 PRO 126 -20.604 6.648 -18.560 926 HD2 PRO 126 HD2 PRO 126 -18.735 6.411 -16.626 927 HD3 PRO 126 HD3 PRO 126 -20.456 6.068 -16.310 928 H GLY 127 H GLY 127 -19.448 1.376 -19.182 929 HA2 GLY 127 HA2 GLY 127 -17.851 0.476 -20.622 930 HA3 GLY 127 HA3 GLY 127 -16.888 1.939 -20.422 931 H ALA 128 H ALA 128 -17.895 0.558 -17.441 932 HA ALA 128 HA ALA 128 -15.341 0.142 -16.433 933 HB1 ALA 128 HB1 ALA 128 -17.089 0.348 -14.861 934 HB2 ALA 128 HB2 ALA 128 -16.560 -1.328 -14.723 935 HB3 ALA 128 HB3 ALA 128 -18.031 -0.939 -15.613 936 H PHE 129 H PHE 129 -14.134 -1.698 -16.006 937 HA PHE 129 HA PHE 129 -14.138 -3.649 -18.119 938 HB2 PHE 129 HB2 PHE 129 -12.412 -3.266 -15.672 939 HB3 PHE 129 HB3 PHE 129 -12.175 -4.586 -16.818 940 HD1 PHE 129 HD1 PHE 129 -12.199 -0.894 -16.449 941 HD2 PHE 129 HD2 PHE 129 -11.206 -4.211 -18.987 942 HE1 PHE 129 HE1 PHE 129 -10.946 0.631 -17.948 943 HE2 PHE 129 HE2 PHE 129 -9.955 -2.686 -20.489 944 HZ PHE 129 HZ PHE 129 -9.825 -0.265 -19.970 945 H LYS 130 H LYS 130 -14.488 -5.823 -18.016 946 HA LYS 130 HA LYS 130 -15.518 -6.959 -15.528 947 HB2 LYS 130 HB2 LYS 130 -17.505 -7.911 -16.698 948 HB3 LYS 130 HB3 LYS 130 -17.539 -6.152 -16.606 949 HG2 LYS 130 HG2 LYS 130 -16.624 -6.069 -18.935 950 HG3 LYS 130 HG3 LYS 130 -16.697 -7.834 -18.995 951 HD2 LYS 130 HD2 LYS 130 -19.146 -7.709 -18.536 952 HD3 LYS 130 HD3 LYS 130 -19.041 -5.951 -18.612 953 HE2 LYS 130 HE2 LYS 130 -18.275 -7.829 -20.869 954 HE3 LYS 130 HE3 LYS 130 -19.784 -6.926 -20.774 955 HZ1 LYS 130 HZ1 LYS 130 -18.776 -5.139 -21.578 956 HZ2 LYS 130 HZ2 LYS 130 -17.372 -6.060 -21.819 957 HZ3 LYS 130 HZ3 LYS 130 -17.576 -5.180 -20.382 958 H ALA 131 H ALA 131 -14.399 -7.459 -18.823 959 HA ALA 131 HA ALA 131 -14.072 -10.332 -18.422 960 HB1 ALA 131 HB1 ALA 131 -13.266 -8.665 -20.807 961 HB2 ALA 131 HB2 ALA 131 -14.859 -9.393 -20.595 962 HB3 ALA 131 HB3 ALA 131 -13.431 -10.420 -20.739 963 H GLU 132 H GLU 132 -12.263 -7.693 -17.508 964 HA GLU 132 HA GLU 132 -9.699 -9.145 -17.817 965 HB2 GLU 132 HB2 GLU 132 -9.801 -7.051 -19.145 966 HB3 GLU 132 HB3 GLU 132 -10.145 -6.146 -17.671 967 HG2 GLU 132 HG2 GLU 132 -7.754 -5.971 -18.197 968 HG3 GLU 132 HG3 GLU 132 -7.964 -6.909 -16.722 969 H LEU 133 H LEU 133 -8.474 -9.506 -16.084 970 HA LEU 133 HA LEU 133 -9.538 -8.741 -13.446 971 HB2 LEU 133 HB2 LEU 133 -7.759 -10.976 -14.425 972 HB3 LEU 133 HB3 LEU 133 -7.748 -10.511 -12.727 973 HG LEU 133 HG LEU 133 -9.294 -12.393 -13.153 974 HD11 LEU 133 HD11 LEU 133 -9.749 -10.530 -11.418 975 HD12 LEU 133 HD12 LEU 133 -11.061 -11.640 -11.807 976 HD13 LEU 133 HD13 LEU 133 -11.038 -10.022 -12.510 977 HD21 LEU 133 HD21 LEU 133 -11.239 -12.231 -14.551 978 HD22 LEU 133 HD22 LEU 133 -9.898 -11.616 -15.519 979 HD23 LEU 133 HD23 LEU 133 -11.025 -10.491 -14.762 980 H SER 134 H SER 134 -8.204 -7.754 -11.881 981 HA SER 134 HA SER 134 -5.523 -6.921 -12.663 982 HB2 SER 134 HB2 SER 134 -6.962 -5.229 -13.698 983 HB3 SER 134 HB3 SER 134 -7.723 -4.921 -12.143 984 HG SER 134 HG SER 134 -5.910 -3.510 -12.807 985 H LYS 135 H LYS 135 -4.570 -5.441 -10.987 986 HA LYS 135 HA LYS 135 -5.362 -6.295 -8.264 987 HB2 LYS 135 HB2 LYS 135 -2.939 -5.869 -7.658 988 HB3 LYS 135 HB3 LYS 135 -3.167 -7.235 -8.744 989 HG2 LYS 135 HG2 LYS 135 -2.628 -5.715 -10.671 990 HG3 LYS 135 HG3 LYS 135 -2.307 -4.421 -9.519 991 HD2 LYS 135 HD2 LYS 135 -0.169 -5.335 -9.960 992 HD3 LYS 135 HD3 LYS 135 -0.633 -6.061 -8.418 993 HE2 LYS 135 HE2 LYS 135 0.245 -7.818 -9.836 994 HE3 LYS 135 HE3 LYS 135 -1.498 -8.054 -9.704 995 HZ1 LYS 135 HZ1 LYS 135 -1.811 -7.579 -11.863 996 HZ2 LYS 135 HZ2 LYS 135 -0.167 -7.977 -12.017 997 HZ3 LYS 135 HZ3 LYS 135 -0.642 -6.352 -11.895 998 H LEU 136 H LEU 136 -5.430 -4.727 -6.667 999 HA LEU 136 HA LEU 136 -5.438 -1.942 -7.663 1000 HB2 LEU 136 HB2 LEU 136 -7.073 -3.391 -5.601 1001 HB3 LEU 136 HB3 LEU 136 -6.879 -1.641 -5.500 1002 HG LEU 136 HG LEU 136 -7.595 -1.657 -8.031 1003 HD11 LEU 136 HD11 LEU 136 -7.465 -4.125 -8.279 1004 HD12 LEU 136 HD12 LEU 136 -9.080 -3.517 -8.630 1005 HD13 LEU 136 HD13 LEU 136 -8.751 -4.297 -7.085 1006 HD21 LEU 136 HD21 LEU 136 -8.959 -0.740 -6.150 1007 HD22 LEU 136 HD22 LEU 136 -9.623 -2.349 -5.871 1008 HD23 LEU 136 HD23 LEU 136 -9.965 -1.505 -7.380 1009 H VAL 137 H VAL 137 -4.367 -0.370 -6.642 1010 HA VAL 137 HA VAL 137 -3.030 -0.942 -4.095 1011 HB VAL 137 HB VAL 137 -1.312 -1.292 -5.841 1012 HG11 VAL 137 HG11 VAL 137 -0.622 0.529 -7.320 1013 HG12 VAL 137 HG12 VAL 137 -1.881 1.569 -6.663 1014 HG13 VAL 137 HG13 VAL 137 -2.316 0.131 -7.590 1015 HG21 VAL 137 HG21 VAL 137 -1.030 1.256 -4.215 1016 HG22 VAL 137 HG22 VAL 137 0.316 0.507 -5.074 1017 HG23 VAL 137 HG23 VAL 137 -0.488 -0.363 -3.767 1018 H ILE 138 H ILE 138 -3.559 0.539 -2.685 1019 HA ILE 138 HA ILE 138 -4.425 3.207 -3.646 1020 HB ILE 138 HB ILE 138 -5.592 1.650 -1.310 1021 HG12 ILE 138 HG12 ILE 138 -7.676 1.762 -2.957 1022 HG13 ILE 138 HG13 ILE 138 -6.441 1.941 -4.208 1023 HG21 ILE 138 HG21 ILE 138 -6.601 4.181 -2.651 1024 HG22 ILE 138 HG22 ILE 138 -5.639 4.179 -1.173 1025 HG23 ILE 138 HG23 ILE 138 -7.235 3.426 -1.188 1026 HD11 ILE 138 HD11 ILE 138 -5.601 -0.214 -3.843 1027 HD12 ILE 138 HD12 ILE 138 -7.316 -0.452 -3.535 1028 HD13 ILE 138 HD13 ILE 138 -6.199 -0.286 -2.185 1029 H VAL 139 H VAL 139 -3.434 4.873 -2.827 1030 HA VAL 139 HA VAL 139 -2.010 4.628 -0.238 1031 HB VAL 139 HB VAL 139 -1.317 6.434 -2.596 1032 HG11 VAL 139 HG11 VAL 139 0.655 7.059 -1.264 1033 HG12 VAL 139 HG12 VAL 139 0.116 6.013 0.049 1034 HG13 VAL 139 HG13 VAL 139 -0.824 7.442 -0.382 1035 HG21 VAL 139 HG21 VAL 139 0.119 4.009 -1.452 1036 HG22 VAL 139 HG22 VAL 139 0.748 5.053 -2.727 1037 HG23 VAL 139 HG23 VAL 139 -0.697 4.083 -3.015 1038 H ALA 140 H ALA 140 -3.084 5.688 1.279 1039 HA ALA 140 HA ALA 140 -4.621 8.103 0.536 1040 HB1 ALA 140 HB1 ALA 140 -6.147 6.242 0.956 1041 HB2 ALA 140 HB2 ALA 140 -6.290 7.455 2.228 1042 HB3 ALA 140 HB3 ALA 140 -5.396 5.966 2.527 1043 H LYS 141 H LYS 141 -4.690 9.788 1.926 1044 HA LYS 141 HA LYS 141 -2.553 9.847 3.921 1045 HB2 LYS 141 HB2 LYS 141 -2.754 11.607 2.100 1046 HB3 LYS 141 HB3 LYS 141 -4.222 12.149 2.922 1047 HG2 LYS 141 HG2 LYS 141 -2.949 12.480 4.996 1048 HG3 LYS 141 HG3 LYS 141 -1.482 11.957 4.177 1049 HD2 LYS 141 HD2 LYS 141 -1.782 13.810 2.521 1050 HD3 LYS 141 HD3 LYS 141 -3.136 14.402 3.486 1051 HE2 LYS 141 HE2 LYS 141 -0.311 14.031 4.503 1052 HE3 LYS 141 HE3 LYS 141 -1.009 15.578 4.016 1053 HZ1 LYS 141 HZ1 LYS 141 -1.601 13.920 6.364 1054 HZ2 LYS 141 HZ2 LYS 141 -2.856 14.854 5.703 1055 HZ3 LYS 141 HZ3 LYS 141 -1.432 15.603 6.250 1056 H ALA 142 H ALA 142 -2.931 10.107 6.058 1057 HA ALA 142 HA ALA 142 -5.447 9.523 7.175 1058 HB1 ALA 142 HB1 ALA 142 -2.805 10.423 8.194 1059 HB2 ALA 142 HB2 ALA 142 -3.788 9.046 8.681 1060 HB3 ALA 142 HB3 ALA 142 -4.188 10.663 9.260 1061 H SER 143 H SER 143 -7.122 10.766 7.813 1062 HA SER 143 HA SER 143 -6.869 13.633 8.177 1063 HB2 SER 143 HB2 SER 143 -7.134 13.506 5.746 1064 HB3 SER 143 HB3 SER 143 -8.573 12.513 5.945 1065 HG SER 143 HG SER 143 -9.413 14.491 5.824 1066 H ARG 144 H ARG 144 -8.541 14.513 9.378 1067 HA ARG 144 HA ARG 144 -10.811 12.771 10.071 1068 HB2 ARG 144 HB2 ARG 144 -9.045 12.503 11.822 1069 HB3 ARG 144 HB3 ARG 144 -9.143 14.237 12.137 1070 HG2 ARG 144 HG2 ARG 144 -11.509 14.016 12.755 1071 HG3 ARG 144 HG3 ARG 144 -11.463 12.292 12.385 1072 HD2 ARG 144 HD2 ARG 144 -9.742 11.970 14.131 1073 HD3 ARG 144 HD3 ARG 144 -9.816 13.687 14.514 1074 HE ARG 144 HE ARG 144 -11.768 11.651 15.243 1075 HH11 ARG 144 HH11 ARG 144 -11.192 15.094 14.847 1076 HH12 ARG 144 HH12 ARG 144 -12.486 15.557 15.904 1077 HH21 ARG 144 HH21 ARG 144 -13.442 12.298 16.624 1078 HH22 ARG 144 HH22 ARG 144 -13.750 13.979 16.902 1079 H THR 145 H THR 145 -12.696 13.824 10.030 1080 HA THR 145 HA THR 145 -12.738 16.748 10.400 1081 HB THR 145 HB THR 145 -14.336 16.946 8.502 1082 HG1 THR 145 HG1 THR 145 -13.554 14.249 8.104 1083 HG21 THR 145 HG21 THR 145 -12.637 16.705 6.727 1084 HG22 THR 145 HG22 THR 145 -11.637 15.751 7.822 1085 HG23 THR 145 HG23 THR 145 -11.958 17.449 8.174 1086 H GLU 146 H GLU 146 -14.994 14.067 9.687 1087 HA GLU 146 HA GLU 146 -16.898 13.335 10.700 1088 HB2 GLU 146 HB2 GLU 146 -15.416 13.323 12.752 1089 HB3 GLU 146 HB3 GLU 146 -16.084 14.908 13.153 1090 HG2 GLU 146 HG2 GLU 146 -18.356 13.962 13.160 1091 HG3 GLU 146 HG3 GLU 146 -17.709 12.380 12.734 1092 H LEU 147 H LEU 147 -16.610 16.590 12.181 1093 HA LEU 147 HA LEU 147 -18.717 17.652 10.508 1094 HB2 LEU 147 HB2 LEU 147 -20.239 18.215 12.399 1095 HB3 LEU 147 HB3 LEU 147 -20.114 16.486 12.093 1096 HG LEU 147 HG LEU 147 -18.199 16.579 13.929 1097 HD11 LEU 147 HD11 LEU 147 -19.687 19.178 14.325 1098 HD12 LEU 147 HD12 LEU 147 -17.951 18.879 14.372 1099 HD13 LEU 147 HD13 LEU 147 -18.964 18.348 15.704 1100 HD21 LEU 147 HD21 LEU 147 -19.862 16.100 15.670 1101 HD22 LEU 147 HD22 LEU 147 -20.401 15.398 14.145 1102 HD23 LEU 147 HD23 LEU 147 -21.119 16.900 14.726 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 7.673 15.354 16.823 2 H2 GLY 1 HT2 GLY 1 9.199 16.096 16.715 3 H3 GLY 1 HT3 GLY 1 7.969 16.803 17.652 4 HA2 GLY 1 HA2 GLY 1 9.104 15.818 19.323 5 HA3 GLY 1 HA3 GLY 1 8.062 14.473 18.857 6 H SER 2 H SER 2 10.012 13.367 19.925 7 HA SER 2 HA SER 2 11.981 12.674 17.830 8 HB2 SER 2 HB2 SER 2 12.503 12.951 20.797 9 HB3 SER 2 HB3 SER 2 13.651 12.331 19.617 10 HG SER 2 HG SER 2 13.913 14.305 18.831 11 H LYS 3 H LYS 3 12.815 10.517 17.921 12 HA LYS 3 HA LYS 3 12.737 8.252 18.208 13 HB2 LYS 3 HB2 LYS 3 12.399 8.995 20.731 14 HB3 LYS 3 HB3 LYS 3 10.748 8.432 20.466 15 HG2 LYS 3 HG2 LYS 3 11.605 6.236 19.748 16 HG3 LYS 3 HG3 LYS 3 13.262 6.782 20.004 17 HD2 LYS 3 HD2 LYS 3 11.339 7.052 22.323 18 HD3 LYS 3 HD3 LYS 3 11.879 5.434 21.900 19 HE2 LYS 3 HE2 LYS 3 13.469 6.172 23.486 20 HE3 LYS 3 HE3 LYS 3 14.271 6.405 21.932 21 HZ1 LYS 3 HZ1 LYS 3 13.891 8.684 21.994 22 HZ2 LYS 3 HZ2 LYS 3 14.321 8.315 23.595 23 HZ3 LYS 3 HZ3 LYS 3 12.690 8.564 23.184 24 H GLY 4 H GLY 4 9.428 9.219 19.185 25 HA2 GLY 4 HA2 GLY 4 7.367 8.763 18.267 26 HA3 GLY 4 HA3 GLY 4 8.187 8.638 16.713 27 H THR 5 H THR 5 7.022 6.864 15.994 28 HA THR 5 HA THR 5 7.689 4.300 17.297 29 HB THR 5 HB THR 5 5.427 3.455 16.786 30 HG1 THR 5 HG1 THR 5 4.791 6.147 16.200 31 HG21 THR 5 HG21 THR 5 4.286 4.564 18.587 32 HG22 THR 5 HG22 THR 5 5.266 6.017 18.389 33 HG23 THR 5 HG23 THR 5 6.001 4.534 18.997 34 H VAL 6 H VAL 6 7.506 2.430 15.850 35 HA VAL 6 HA VAL 6 7.798 3.101 12.990 36 HB VAL 6 HB VAL 6 9.626 1.439 12.801 37 HG11 VAL 6 HG11 VAL 6 11.363 2.815 13.884 38 HG12 VAL 6 HG12 VAL 6 10.122 3.624 14.841 39 HG13 VAL 6 HG13 VAL 6 10.153 3.822 13.089 40 HG21 VAL 6 HG21 VAL 6 8.931 0.165 14.907 41 HG22 VAL 6 HG22 VAL 6 9.683 1.460 15.838 42 HG23 VAL 6 HG23 VAL 6 10.662 0.471 14.755 43 H SER 7 H SER 7 7.443 1.273 11.533 44 HA SER 7 HA SER 7 5.998 -1.020 12.620 45 HB2 SER 7 HB2 SER 7 3.981 -0.616 11.328 46 HB3 SER 7 HB3 SER 7 4.282 0.749 12.394 47 HG SER 7 HG SER 7 4.637 0.510 9.607 48 H GLU 8 H GLU 8 5.361 -2.564 10.913 49 HA GLU 8 HA GLU 8 7.123 -2.445 8.540 50 HB2 GLU 8 HB2 GLU 8 6.589 -4.840 10.326 51 HB3 GLU 8 HB3 GLU 8 7.472 -4.904 8.799 52 HG2 GLU 8 HG2 GLU 8 9.140 -3.323 9.681 53 HG3 GLU 8 HG3 GLU 8 8.255 -3.223 11.201 54 HA PRO 9 HA PRO 9 3.486 -3.346 6.131 55 HB2 PRO 9 HB2 PRO 9 4.356 -5.097 4.219 56 HB3 PRO 9 HB3 PRO 9 4.736 -3.361 4.205 57 HG2 PRO 9 HG2 PRO 9 6.406 -5.648 5.149 58 HG3 PRO 9 HG3 PRO 9 6.869 -4.244 4.167 59 HD2 PRO 9 HD2 PRO 9 7.428 -4.337 6.794 60 HD3 PRO 9 HD3 PRO 9 6.970 -2.809 6.004 61 H THR 10 H THR 10 1.764 -4.732 6.047 62 HA THR 10 HA THR 10 2.125 -7.500 7.028 63 HB THR 10 HB THR 10 -0.035 -5.568 7.941 64 HG1 THR 10 HG1 THR 10 1.724 -5.030 9.066 65 HG21 THR 10 HG21 THR 10 0.570 -8.448 8.676 66 HG22 THR 10 HG22 THR 10 -0.887 -7.843 7.891 67 HG23 THR 10 HG23 THR 10 -0.547 -7.416 9.568 68 H THR 11 H THR 11 0.824 -9.050 6.034 69 HA THR 11 HA THR 11 -1.112 -8.043 4.055 70 HB THR 11 HB THR 11 0.932 -8.717 2.862 71 HG1 THR 11 HG1 THR 11 -0.197 -9.688 1.360 72 HG21 THR 11 HG21 THR 11 0.534 -11.249 4.435 73 HG22 THR 11 HG22 THR 11 2.020 -10.356 4.108 74 HG23 THR 11 HG23 THR 11 1.269 -11.320 2.835 75 H VAL 12 H VAL 12 -2.959 -9.154 3.704 76 HA VAL 12 HA VAL 12 -3.468 -11.564 5.324 77 HB VAL 12 HB VAL 12 -5.340 -9.176 5.096 78 HG11 VAL 12 HG11 VAL 12 -6.624 -11.240 5.199 79 HG12 VAL 12 HG12 VAL 12 -6.707 -10.450 6.775 80 HG13 VAL 12 HG13 VAL 12 -5.637 -11.831 6.537 81 HG21 VAL 12 HG21 VAL 12 -3.743 -10.285 7.433 82 HG22 VAL 12 HG22 VAL 12 -4.958 -9.014 7.568 83 HG23 VAL 12 HG23 VAL 12 -3.487 -8.733 6.637 84 H ALA 13 H ALA 13 -4.553 -13.169 4.273 85 HA ALA 13 HA ALA 13 -5.289 -12.717 1.473 86 HB1 ALA 13 HB1 ALA 13 -4.581 -15.117 3.102 87 HB2 ALA 13 HB2 ALA 13 -3.980 -14.615 1.522 88 HB3 ALA 13 HB3 ALA 13 -5.581 -15.340 1.666 89 H PHE 14 H PHE 14 -7.327 -13.359 0.580 90 HA PHE 14 HA PHE 14 -9.459 -14.133 2.419 91 HB2 PHE 14 HB2 PHE 14 -10.932 -12.287 1.881 92 HB3 PHE 14 HB3 PHE 14 -9.411 -11.617 2.455 93 HD1 PHE 14 HD1 PHE 14 -11.724 -11.867 -0.339 94 HD2 PHE 14 HD2 PHE 14 -7.744 -10.717 0.776 95 HE1 PHE 14 HE1 PHE 14 -11.503 -10.594 -2.453 96 HE2 PHE 14 HE2 PHE 14 -7.523 -9.440 -1.343 97 HZ PHE 14 HZ PHE 14 -9.402 -9.380 -2.956 98 H ASP 15 H ASP 15 -11.492 -14.724 1.261 99 HA ASP 15 HA ASP 15 -10.823 -16.017 -1.296 100 HB2 ASP 15 HB2 ASP 15 -13.274 -16.451 0.458 101 HB3 ASP 15 HB3 ASP 15 -12.792 -17.389 -0.945 102 H VAL 16 H VAL 16 -11.584 -15.331 -3.185 103 HA VAL 16 HA VAL 16 -13.743 -13.311 -3.247 104 HB VAL 16 HB VAL 16 -11.887 -14.293 -5.468 105 HG11 VAL 16 HG11 VAL 16 -14.072 -13.519 -6.327 106 HG12 VAL 16 HG12 VAL 16 -12.799 -12.373 -6.748 107 HG13 VAL 16 HG13 VAL 16 -13.901 -12.018 -5.420 108 HG21 VAL 16 HG21 VAL 16 -10.756 -12.159 -5.235 109 HG22 VAL 16 HG22 VAL 16 -10.812 -12.914 -3.641 110 HG23 VAL 16 HG23 VAL 16 -11.937 -11.616 -4.044 111 H ARG 17 H ARG 17 -15.615 -14.287 -3.136 112 HA ARG 17 HA ARG 17 -16.004 -16.864 -4.469 113 HB2 ARG 17 HB2 ARG 17 -17.490 -15.570 -2.168 114 HB3 ARG 17 HB3 ARG 17 -17.848 -17.164 -2.841 115 HG2 ARG 17 HG2 ARG 17 -15.675 -18.020 -2.212 116 HG3 ARG 17 HG3 ARG 17 -15.097 -16.409 -1.784 117 HD2 ARG 17 HD2 ARG 17 -16.719 -16.300 0.057 118 HD3 ARG 17 HD3 ARG 17 -17.321 -17.887 -0.382 119 HE ARG 17 HE ARG 17 -14.868 -17.309 1.044 120 HH11 ARG 17 HH11 ARG 17 -16.627 -19.704 -0.832 121 HH12 ARG 17 HH12 ARG 17 -15.719 -21.040 -0.209 122 HH21 ARG 17 HH21 ARG 17 -13.695 -19.083 1.824 123 HH22 ARG 17 HH22 ARG 17 -14.064 -20.686 1.283 124 HA PRO 18 HA PRO 18 -18.583 -14.349 -7.283 125 HB2 PRO 18 HB2 PRO 18 -19.124 -16.146 -9.155 126 HB3 PRO 18 HB3 PRO 18 -17.492 -15.470 -8.974 127 HG2 PRO 18 HG2 PRO 18 -18.552 -18.090 -7.996 128 HG3 PRO 18 HG3 PRO 18 -17.030 -17.749 -8.842 129 HD2 PRO 18 HD2 PRO 18 -17.135 -18.028 -6.134 130 HD3 PRO 18 HD3 PRO 18 -15.976 -16.934 -6.931 131 H GLY 19 H GLY 19 -20.760 -14.639 -8.395 132 HA2 GLY 19 HA2 GLY 19 -22.811 -16.236 -8.168 133 HA3 GLY 19 HA3 GLY 19 -22.676 -15.778 -6.472 134 H GLY 20 H GLY 20 -21.738 -13.183 -8.464 135 HA2 GLY 20 HA2 GLY 20 -22.741 -11.233 -9.161 136 HA3 GLY 20 HA3 GLY 20 -24.282 -12.086 -9.151 137 H VAL 21 H VAL 21 -22.279 -11.985 -6.298 138 HA VAL 21 HA VAL 21 -24.240 -10.210 -4.968 139 HB VAL 21 HB VAL 21 -22.441 -12.335 -3.753 140 HG11 VAL 21 HG11 VAL 21 -23.905 -11.957 -1.723 141 HG12 VAL 21 HG12 VAL 21 -24.556 -10.534 -2.537 142 HG13 VAL 21 HG13 VAL 21 -22.843 -10.606 -2.123 143 HG21 VAL 21 HG21 VAL 21 -24.235 -13.373 -5.049 144 HG22 VAL 21 HG22 VAL 21 -25.432 -12.312 -4.304 145 HG23 VAL 21 HG23 VAL 21 -24.612 -13.535 -3.333 146 H VAL 22 H VAL 22 -23.533 -8.325 -4.196 147 HA VAL 22 HA VAL 22 -20.808 -7.513 -4.626 148 HB VAL 22 HB VAL 22 -23.067 -6.084 -3.164 149 HG11 VAL 22 HG11 VAL 22 -21.710 -4.038 -3.575 150 HG12 VAL 22 HG12 VAL 22 -20.421 -5.043 -4.238 151 HG13 VAL 22 HG13 VAL 22 -20.864 -5.186 -2.536 152 HG21 VAL 22 HG21 VAL 22 -23.360 -4.847 -5.266 153 HG22 VAL 22 HG22 VAL 22 -23.533 -6.576 -5.568 154 HG23 VAL 22 HG23 VAL 22 -22.039 -5.751 -6.006 155 H HIS 23 H HIS 23 -19.200 -7.994 -3.361 156 HA HIS 23 HA HIS 23 -19.682 -8.539 -0.497 157 HB2 HIS 23 HB2 HIS 23 -17.429 -9.444 -2.301 158 HB3 HIS 23 HB3 HIS 23 -17.540 -9.776 -0.578 159 HD2 HIS 23 HD2 HIS 23 -18.731 -11.317 -3.873 160 HE1 HIS 23 HE1 HIS 23 -21.041 -13.135 -0.848 161 HE2 HIS 23 HE2 HIS 23 -20.404 -13.234 -3.303 162 H SER 24 H SER 24 -18.613 -7.426 1.019 163 HA SER 24 HA SER 24 -16.712 -5.338 0.119 164 HB2 SER 24 HB2 SER 24 -18.721 -5.205 2.374 165 HB3 SER 24 HB3 SER 24 -17.500 -3.981 2.031 166 HG SER 24 HG SER 24 -19.486 -3.470 1.037 167 H PHE 25 H PHE 25 -14.763 -5.440 0.913 168 HA PHE 25 HA PHE 25 -14.292 -6.809 3.492 169 HB2 PHE 25 HB2 PHE 25 -12.650 -7.075 0.966 170 HB3 PHE 25 HB3 PHE 25 -12.119 -7.632 2.553 171 HD1 PHE 25 HD1 PHE 25 -14.383 -8.243 -0.265 172 HD2 PHE 25 HD2 PHE 25 -13.291 -9.470 3.706 173 HE1 PHE 25 HE1 PHE 25 -15.646 -10.359 -0.565 174 HE2 PHE 25 HE2 PHE 25 -14.552 -11.579 3.406 175 HZ PHE 25 HZ PHE 25 -15.729 -12.026 1.272 176 H SER 26 H SER 26 -12.639 -5.974 4.768 177 HA SER 26 HA SER 26 -11.205 -3.620 3.835 178 HB2 SER 26 HB2 SER 26 -12.015 -2.167 5.585 179 HB3 SER 26 HB3 SER 26 -13.386 -2.783 4.674 180 HG SER 26 HG SER 26 -12.517 -3.380 7.267 181 H HIS 27 H HIS 27 -9.651 -2.822 5.471 182 HA HIS 27 HA HIS 27 -8.885 -4.795 7.501 183 HB2 HIS 27 HB2 HIS 27 -7.757 -5.427 5.335 184 HB3 HIS 27 HB3 HIS 27 -6.910 -3.883 5.401 185 HD2 HIS 27 HD2 HIS 27 -7.250 -5.723 8.852 186 HE1 HIS 27 HE1 HIS 27 -3.301 -6.323 7.473 187 HE2 HIS 27 HE2 HIS 27 -4.868 -6.608 9.456 188 H ASN 28 H ASN 28 -7.895 -3.962 9.229 189 HA ASN 28 HA ASN 28 -7.406 -1.043 9.289 190 HB2 ASN 28 HB2 ASN 28 -9.183 -2.132 10.806 191 HB3 ASN 28 HB3 ASN 28 -7.818 -2.822 11.686 192 HD21 ASN 28 HD21 ASN 28 -8.039 -1.547 13.605 193 HD22 ASN 28 HD22 ASN 28 -7.829 0.138 13.617 194 H VAL 29 H VAL 29 -5.723 -0.283 10.714 195 HA VAL 29 HA VAL 29 -3.497 -2.182 11.011 196 HB VAL 29 HB VAL 29 -3.347 -0.759 8.907 197 HG11 VAL 29 HG11 VAL 29 -4.138 1.354 10.256 198 HG12 VAL 29 HG12 VAL 29 -2.964 1.527 8.953 199 HG13 VAL 29 HG13 VAL 29 -2.420 1.517 10.627 200 HG21 VAL 29 HG21 VAL 29 -1.349 -1.753 9.437 201 HG22 VAL 29 HG22 VAL 29 -1.234 -1.002 11.023 202 HG23 VAL 29 HG23 VAL 29 -0.861 -0.069 9.572 203 H GLY 30 H GLY 30 -2.026 -1.728 12.707 204 HA2 GLY 30 HA2 GLY 30 -3.229 -0.894 15.067 205 HA3 GLY 30 HA3 GLY 30 -1.497 -1.122 14.865 206 HA PRO 31 HA PRO 31 -0.585 3.295 14.935 207 HB2 PRO 31 HB2 PRO 31 -0.404 3.623 11.973 208 HB3 PRO 31 HB3 PRO 31 0.783 4.034 13.233 209 HG2 PRO 31 HG2 PRO 31 1.190 1.939 11.719 210 HG3 PRO 31 HG3 PRO 31 1.481 1.828 13.470 211 HD2 PRO 31 HD2 PRO 31 -0.890 0.835 11.905 212 HD3 PRO 31 HD3 PRO 31 0.029 0.006 13.193 213 H GLY 32 H GLY 32 -2.687 2.630 12.160 214 HA2 GLY 32 HA2 GLY 32 -4.204 5.099 12.539 215 HA3 GLY 32 HA3 GLY 32 -4.334 3.985 11.179 216 H ASP 33 H ASP 33 -5.311 4.639 14.462 217 HA ASP 33 HA ASP 33 -6.797 2.281 14.958 218 HB2 ASP 33 HB2 ASP 33 -7.912 3.589 16.725 219 HB3 ASP 33 HB3 ASP 33 -6.162 3.802 16.729 220 H LYS 34 H LYS 34 -7.596 5.274 13.307 221 HA LYS 34 HA LYS 34 -10.332 4.294 12.784 222 HB2 LYS 34 HB2 LYS 34 -10.848 6.629 12.107 223 HB3 LYS 34 HB3 LYS 34 -10.306 6.506 13.782 224 HG2 LYS 34 HG2 LYS 34 -8.003 7.149 13.051 225 HG3 LYS 34 HG3 LYS 34 -8.611 7.362 11.407 226 HD2 LYS 34 HD2 LYS 34 -9.813 8.823 13.768 227 HD3 LYS 34 HD3 LYS 34 -8.454 9.481 12.852 228 HE2 LYS 34 HE2 LYS 34 -9.819 9.301 10.768 229 HE3 LYS 34 HE3 LYS 34 -11.184 8.751 11.740 230 HZ1 LYS 34 HZ1 LYS 34 -11.378 10.795 12.778 231 HZ2 LYS 34 HZ2 LYS 34 -10.999 11.231 11.180 232 HZ3 LYS 34 HZ3 LYS 34 -9.800 11.274 12.383 233 H TYR 35 H TYR 35 -7.293 4.504 11.292 234 HA TYR 35 HA TYR 35 -8.233 5.045 8.596 235 HB2 TYR 35 HB2 TYR 35 -5.949 5.705 9.388 236 HB3 TYR 35 HB3 TYR 35 -5.535 3.994 9.486 237 HD1 TYR 35 HD1 TYR 35 -6.200 6.809 7.234 238 HD2 TYR 35 HD2 TYR 35 -5.373 2.609 7.466 239 HE1 TYR 35 HE1 TYR 35 -5.687 6.775 4.801 240 HE2 TYR 35 HE2 TYR 35 -4.859 2.572 5.038 241 HH TYR 35 HH TYR 35 -4.116 4.210 3.291 242 H THR 36 H THR 36 -8.979 3.605 7.153 243 HA THR 36 HA THR 36 -8.050 0.859 7.190 244 HB THR 36 HB THR 36 -9.871 0.718 8.819 245 HG1 THR 36 HG1 THR 36 -10.673 -1.038 7.925 246 HG21 THR 36 HG21 THR 36 -11.219 2.627 8.125 247 HG22 THR 36 HG22 THR 36 -12.208 1.170 8.085 248 HG23 THR 36 HG23 THR 36 -11.579 1.849 6.584 249 H CYS 37 H CYS 37 -8.479 -0.306 5.302 250 HA CYS 37 HA CYS 37 -9.281 1.345 2.984 251 HB2 CYS 37 HB2 CYS 37 -7.656 -1.215 3.150 252 HB3 CYS 37 HB3 CYS 37 -8.210 -0.517 1.630 253 H MET 38 H MET 38 -10.847 0.633 1.533 254 HA MET 38 HA MET 38 -12.446 -1.700 2.386 255 HB2 MET 38 HB2 MET 38 -13.457 0.968 1.430 256 HB3 MET 38 HB3 MET 38 -14.462 -0.472 1.597 257 HG2 MET 38 HG2 MET 38 -13.898 -0.637 3.959 258 HG3 MET 38 HG3 MET 38 -12.854 0.778 3.839 259 HE1 MET 38 HE1 MET 38 -16.240 -0.760 3.808 260 HE2 MET 38 HE2 MET 38 -16.468 0.007 2.240 261 HE3 MET 38 HE3 MET 38 -17.418 0.549 3.620 262 H PHE 39 H PHE 39 -13.373 -2.942 0.863 263 HA PHE 39 HA PHE 39 -12.695 -2.379 -1.962 264 HB2 PHE 39 HB2 PHE 39 -12.380 -5.157 -0.811 265 HB3 PHE 39 HB3 PHE 39 -11.742 -4.509 -2.317 266 HD1 PHE 39 HD1 PHE 39 -10.893 -5.361 0.996 267 HD2 PHE 39 HD2 PHE 39 -10.116 -2.377 -2.000 268 HE1 PHE 39 HE1 PHE 39 -8.801 -4.738 2.162 269 HE2 PHE 39 HE2 PHE 39 -8.015 -1.761 -0.831 270 HZ PHE 39 HZ PHE 39 -7.361 -2.942 1.250 271 H THR 40 H THR 40 -14.635 -2.180 -2.870 272 HA THR 40 HA THR 40 -16.721 -4.193 -2.242 273 HB THR 40 HB THR 40 -17.028 -1.417 -3.450 274 HG1 THR 40 HG1 THR 40 -16.683 -1.083 -1.354 275 HG21 THR 40 HG21 THR 40 -18.736 -3.139 -4.157 276 HG22 THR 40 HG22 THR 40 -19.411 -1.775 -3.265 277 HG23 THR 40 HG23 THR 40 -19.164 -3.322 -2.455 278 H TYR 41 H TYR 41 -17.132 -5.676 -3.793 279 HA TYR 41 HA TYR 41 -16.931 -4.994 -6.603 280 HB2 TYR 41 HB2 TYR 41 -15.271 -6.724 -7.167 281 HB3 TYR 41 HB3 TYR 41 -14.592 -5.477 -6.124 282 HD1 TYR 41 HD1 TYR 41 -15.751 -8.982 -6.293 283 HD2 TYR 41 HD2 TYR 41 -13.964 -5.960 -3.816 284 HE1 TYR 41 HE1 TYR 41 -15.103 -10.715 -4.646 285 HE2 TYR 41 HE2 TYR 41 -13.315 -7.696 -2.170 286 HH TYR 41 HH TYR 41 -13.072 -9.952 -1.854 287 H ALA 42 H ALA 42 -17.478 -6.794 -8.042 288 HA ALA 42 HA ALA 42 -19.114 -8.909 -6.782 289 HB1 ALA 42 HB1 ALA 42 -20.026 -6.853 -8.768 290 HB2 ALA 42 HB2 ALA 42 -20.863 -7.483 -7.350 291 HB3 ALA 42 HB3 ALA 42 -20.731 -8.468 -8.806 292 H SER 43 H SER 43 -19.035 -10.895 -7.821 293 HA SER 43 HA SER 43 -17.616 -11.017 -10.396 294 HB2 SER 43 HB2 SER 43 -16.929 -12.673 -7.967 295 HB3 SER 43 HB3 SER 43 -16.234 -12.862 -9.576 296 HG SER 43 HG SER 43 -15.496 -11.208 -7.643 297 H GLN 44 H GLN 44 -17.867 -12.954 -11.564 298 HA GLN 44 HA GLN 44 -20.093 -14.699 -10.751 299 HB2 GLN 44 HB2 GLN 44 -20.983 -13.095 -12.394 300 HB3 GLN 44 HB3 GLN 44 -19.699 -13.517 -13.527 301 HG2 GLN 44 HG2 GLN 44 -20.529 -15.753 -13.769 302 HG3 GLN 44 HG3 GLN 44 -21.655 -15.548 -12.433 303 HE21 GLN 44 HE21 GLN 44 -21.624 -15.710 -15.725 304 HE22 GLN 44 HE22 GLN 44 -22.941 -14.699 -16.085 305 H GLY 45 H GLY 45 -19.654 -16.801 -10.909 306 HA2 GLY 45 HA2 GLY 45 -18.217 -18.152 -12.843 307 HA3 GLY 45 HA3 GLY 45 -17.069 -17.755 -11.564 308 H GLY 46 H GLY 46 -17.297 -20.318 -11.824 309 HA2 GLY 46 HA2 GLY 46 -19.398 -21.287 -9.999 310 HA3 GLY 46 HA3 GLY 46 -18.507 -22.279 -11.147 311 H THR 47 H THR 47 -16.263 -20.266 -9.693 312 HA THR 47 HA THR 47 -15.884 -21.876 -7.288 313 HB THR 47 HB THR 47 -14.731 -23.185 -9.008 314 HG1 THR 47 HG1 THR 47 -13.282 -23.526 -7.557 315 HG21 THR 47 HG21 THR 47 -14.279 -21.271 -10.562 316 HG22 THR 47 HG22 THR 47 -12.863 -22.282 -10.272 317 HG23 THR 47 HG23 THR 47 -13.016 -20.725 -9.457 318 H ASN 48 H ASN 48 -14.471 -20.987 -5.756 319 HA ASN 48 HA ASN 48 -14.275 -18.118 -5.899 320 HB2 ASN 48 HB2 ASN 48 -13.568 -18.236 -3.579 321 HB3 ASN 48 HB3 ASN 48 -14.955 -19.296 -3.811 322 HD21 ASN 48 HD21 ASN 48 -13.259 -19.761 -1.615 323 HD22 ASN 48 HD22 ASN 48 -12.372 -21.184 -1.868 324 H GLU 49 H GLU 49 -12.100 -17.248 -4.825 325 HA GLU 49 HA GLU 49 -9.744 -18.549 -5.966 326 HB2 GLU 49 HB2 GLU 49 -10.620 -17.020 -7.722 327 HB3 GLU 49 HB3 GLU 49 -10.488 -15.683 -6.580 328 HG2 GLU 49 HG2 GLU 49 -8.529 -15.716 -8.050 329 HG3 GLU 49 HG3 GLU 49 -8.044 -16.085 -6.399 330 H GLN 50 H GLN 50 -7.816 -17.887 -5.024 331 HA GLN 50 HA GLN 50 -8.140 -16.611 -2.392 332 HB2 GLN 50 HB2 GLN 50 -5.927 -18.326 -3.529 333 HB3 GLN 50 HB3 GLN 50 -5.881 -17.576 -1.931 334 HG2 GLN 50 HG2 GLN 50 -7.929 -18.755 -1.289 335 HG3 GLN 50 HG3 GLN 50 -8.036 -19.480 -2.893 336 HE21 GLN 50 HE21 GLN 50 -7.634 -21.680 -2.371 337 HE22 GLN 50 HE22 GLN 50 -6.214 -22.221 -1.615 338 H TRP 51 H TRP 51 -7.492 -14.625 -2.055 339 HA TRP 51 HA TRP 51 -5.477 -13.408 -3.852 340 HB2 TRP 51 HB2 TRP 51 -8.002 -12.206 -2.734 341 HB3 TRP 51 HB3 TRP 51 -6.713 -11.249 -3.452 342 HD1 TRP 51 HD1 TRP 51 -8.862 -14.314 -4.434 343 HE1 TRP 51 HE1 TRP 51 -9.404 -14.122 -6.954 344 HE3 TRP 51 HE3 TRP 51 -6.302 -10.047 -5.562 345 HZ2 TRP 51 HZ2 TRP 51 -8.827 -12.377 -9.151 346 HZ3 TRP 51 HZ3 TRP 51 -6.317 -9.137 -7.868 347 HH2 TRP 51 HH2 TRP 51 -7.574 -10.291 -9.659 348 H GLN 52 H GLN 52 -3.949 -12.146 -2.953 349 HA GLN 52 HA GLN 52 -3.838 -12.061 0.001 350 HB2 GLN 52 HB2 GLN 52 -1.649 -11.707 -2.054 351 HB3 GLN 52 HB3 GLN 52 -1.426 -11.564 -0.311 352 HG2 GLN 52 HG2 GLN 52 -2.072 -13.869 0.041 353 HG3 GLN 52 HG3 GLN 52 -2.513 -14.054 -1.656 354 HE21 GLN 52 HE21 GLN 52 -0.338 -15.413 0.064 355 HE22 GLN 52 HE22 GLN 52 1.080 -15.213 -0.847 356 H MET 53 H MET 53 -3.771 -10.158 1.067 357 HA MET 53 HA MET 53 -3.916 -7.661 -0.535 358 HB2 MET 53 HB2 MET 53 -5.001 -8.133 2.259 359 HB3 MET 53 HB3 MET 53 -5.220 -6.692 1.264 360 HG2 MET 53 HG2 MET 53 -6.429 -8.105 -0.426 361 HG3 MET 53 HG3 MET 53 -6.286 -9.464 0.672 362 HE1 MET 53 HE1 MET 53 -6.604 -9.148 3.091 363 HE2 MET 53 HE2 MET 53 -8.290 -9.633 3.028 364 HE3 MET 53 HE3 MET 53 -7.843 -8.158 3.872 365 H SER 54 H SER 54 -2.164 -6.367 -0.299 366 HA SER 54 HA SER 54 -0.582 -6.622 2.190 367 HB2 SER 54 HB2 SER 54 0.649 -7.613 0.352 368 HB3 SER 54 HB3 SER 54 0.406 -6.169 -0.625 369 HG SER 54 HG SER 54 1.762 -6.304 1.874 370 H LEU 55 H LEU 55 -0.310 -4.850 3.318 371 HA LEU 55 HA LEU 55 -0.510 -2.239 1.961 372 HB2 LEU 55 HB2 LEU 55 -1.707 -1.312 3.918 373 HB3 LEU 55 HB3 LEU 55 -2.634 -2.542 3.061 374 HG LEU 55 HG LEU 55 -1.508 -4.189 4.845 375 HD11 LEU 55 HD11 LEU 55 -1.458 -2.856 7.097 376 HD12 LEU 55 HD12 LEU 55 -1.219 -1.441 6.074 377 HD13 LEU 55 HD13 LEU 55 -0.054 -2.760 6.041 378 HD21 LEU 55 HD21 LEU 55 -3.456 -3.621 6.428 379 HD22 LEU 55 HD22 LEU 55 -3.891 -3.969 4.755 380 HD23 LEU 55 HD23 LEU 55 -3.831 -2.300 5.321 381 H GLY 56 H GLY 56 0.606 -0.534 2.926 382 HA2 GLY 56 HA2 GLY 56 2.533 -1.144 5.047 383 HA3 GLY 56 HA3 GLY 56 3.179 -0.722 3.462 384 H THR 57 H THR 57 3.883 0.887 5.490 385 HA THR 57 HA THR 57 2.268 3.333 5.048 386 HB THR 57 HB THR 57 2.612 3.986 7.379 387 HG1 THR 57 HG1 THR 57 3.876 2.874 8.667 388 HG21 THR 57 HG21 THR 57 0.964 2.617 8.313 389 HG22 THR 57 HG22 THR 57 1.611 1.160 7.564 390 HG23 THR 57 HG23 THR 57 0.712 2.320 6.592 391 H SER 58 H SER 58 3.398 5.338 5.373 392 HA SER 58 HA SER 58 6.001 5.407 4.213 393 HB2 SER 58 HB2 SER 58 4.417 7.242 3.882 394 HB3 SER 58 HB3 SER 58 4.393 7.546 5.618 395 HG SER 58 HG SER 58 6.305 8.150 3.701 396 H GLU 59 H GLU 59 7.954 6.211 5.221 397 HA GLU 59 HA GLU 59 8.636 4.949 7.610 398 HB2 GLU 59 HB2 GLU 59 10.672 6.351 7.596 399 HB3 GLU 59 HB3 GLU 59 10.322 5.718 5.989 400 HG2 GLU 59 HG2 GLU 59 9.231 7.877 5.393 401 HG3 GLU 59 HG3 GLU 59 9.637 8.508 6.989 402 H ASP 60 H ASP 60 7.335 8.181 7.099 403 HA ASP 60 HA ASP 60 7.334 8.630 10.017 404 HB2 ASP 60 HB2 ASP 60 6.867 10.998 9.480 405 HB3 ASP 60 HB3 ASP 60 8.392 10.431 8.796 406 H HIS 61 H HIS 61 5.397 7.078 8.083 407 HA HIS 61 HA HIS 61 3.200 6.502 8.057 408 HB2 HIS 61 HB2 HIS 61 3.302 7.924 10.720 409 HB3 HIS 61 HB3 HIS 61 1.915 6.981 10.161 410 HD2 HIS 61 HD2 HIS 61 5.824 6.190 10.595 411 HE1 HIS 61 HE1 HIS 61 3.581 2.721 11.458 412 HE2 HIS 61 HE2 HIS 61 5.922 3.701 11.359 413 H GLN 62 H GLN 62 3.949 9.038 6.759 414 HA GLN 62 HA GLN 62 1.620 10.759 7.081 415 HB2 GLN 62 HB2 GLN 62 2.610 12.082 5.227 416 HB3 GLN 62 HB3 GLN 62 3.696 11.894 6.599 417 HG2 GLN 62 HG2 GLN 62 4.909 10.122 5.451 418 HG3 GLN 62 HG3 GLN 62 3.745 10.132 4.133 419 HE21 GLN 62 HE21 GLN 62 6.809 11.141 4.806 420 HE22 GLN 62 HE22 GLN 62 6.888 12.531 3.835 421 H HIS 63 H HIS 63 2.739 8.257 4.882 422 HA HIS 63 HA HIS 63 0.195 8.498 3.386 423 HB2 HIS 63 HB2 HIS 63 2.909 7.699 2.318 424 HB3 HIS 63 HB3 HIS 63 1.398 7.532 1.423 425 HD2 HIS 63 HD2 HIS 63 4.091 10.161 1.905 426 HE1 HIS 63 HE1 HIS 63 0.666 12.248 0.603 427 HE2 HIS 63 HE2 HIS 63 3.170 12.421 0.985 428 H PHE 64 H PHE 64 -0.958 6.709 2.979 429 HA PHE 64 HA PHE 64 0.053 4.115 3.998 430 HB2 PHE 64 HB2 PHE 64 -2.733 5.270 4.294 431 HB3 PHE 64 HB3 PHE 64 -2.267 3.630 4.758 432 HD1 PHE 64 HD1 PHE 64 -1.785 7.229 5.482 433 HD2 PHE 64 HD2 PHE 64 -0.993 3.212 6.764 434 HE1 PHE 64 HE1 PHE 64 -0.994 8.087 7.669 435 HE2 PHE 64 HE2 PHE 64 -0.197 4.068 8.954 436 HZ PHE 64 HZ PHE 64 -0.199 6.507 9.406 437 H THR 65 H THR 65 -0.325 2.341 2.695 438 HA THR 65 HA THR 65 -2.014 2.757 0.300 439 HB THR 65 HB THR 65 -0.349 1.591 -1.079 440 HG1 THR 65 HG1 THR 65 1.629 1.066 -0.207 441 HG21 THR 65 HG21 THR 65 1.118 3.797 0.358 442 HG22 THR 65 HG22 THR 65 -0.306 4.151 -0.618 443 HG23 THR 65 HG23 THR 65 1.112 3.418 -1.363 444 H CYS 66 H CYS 66 -3.078 1.011 -0.507 445 HA CYS 66 HA CYS 66 -2.813 -1.594 0.866 446 HB2 CYS 66 HB2 CYS 66 -5.403 -0.195 0.125 447 HB3 CYS 66 HB3 CYS 66 -5.280 -1.888 0.616 448 H THR 67 H THR 67 -2.563 -3.263 -0.508 449 HA THR 67 HA THR 67 -3.256 -2.857 -3.363 450 HB THR 67 HB THR 67 -0.723 -4.138 -2.312 451 HG1 THR 67 HG1 THR 67 0.173 -2.217 -3.362 452 HG21 THR 67 HG21 THR 67 -1.293 -3.289 -5.150 453 HG22 THR 67 HG22 THR 67 -1.762 -4.889 -4.582 454 HG23 THR 67 HG23 THR 67 -0.065 -4.410 -4.567 455 H ILE 68 H ILE 68 -4.283 -4.507 -4.329 456 HA ILE 68 HA ILE 68 -4.389 -7.133 -2.949 457 HB ILE 68 HB ILE 68 -6.710 -5.772 -4.371 458 HG12 ILE 68 HG12 ILE 68 -6.378 -6.333 -1.396 459 HG13 ILE 68 HG13 ILE 68 -6.001 -4.778 -2.123 460 HG21 ILE 68 HG21 ILE 68 -6.726 -8.264 -4.493 461 HG22 ILE 68 HG22 ILE 68 -8.029 -7.668 -3.466 462 HG23 ILE 68 HG23 ILE 68 -6.572 -8.344 -2.737 463 HD11 ILE 68 HD11 ILE 68 -8.352 -5.073 -1.110 464 HD12 ILE 68 HD12 ILE 68 -8.700 -6.067 -2.525 465 HD13 ILE 68 HD13 ILE 68 -8.247 -4.374 -2.724 466 H TRP 69 H TRP 69 -3.791 -8.814 -4.191 467 HA TRP 69 HA TRP 69 -4.452 -8.889 -7.027 468 HB2 TRP 69 HB2 TRP 69 -2.197 -9.256 -7.875 469 HB3 TRP 69 HB3 TRP 69 -2.218 -7.723 -7.015 470 HD1 TRP 69 HD1 TRP 69 -0.660 -11.151 -6.980 471 HE1 TRP 69 HE1 TRP 69 1.072 -11.293 -5.077 472 HE3 TRP 69 HE3 TRP 69 -1.708 -6.822 -4.558 473 HZ2 TRP 69 HZ2 TRP 69 1.897 -9.764 -2.816 474 HZ3 TRP 69 HZ3 TRP 69 -0.433 -6.169 -2.509 475 HH2 TRP 69 HH2 TRP 69 1.368 -7.652 -1.648 476 H ARG 70 H ARG 70 -3.974 -11.037 -7.996 477 HA ARG 70 HA ARG 70 -4.419 -13.104 -5.977 478 HB2 ARG 70 HB2 ARG 70 -5.229 -14.509 -7.730 479 HB3 ARG 70 HB3 ARG 70 -5.835 -12.903 -8.116 480 HG2 ARG 70 HG2 ARG 70 -3.818 -12.616 -9.633 481 HG3 ARG 70 HG3 ARG 70 -3.476 -14.321 -9.308 482 HD2 ARG 70 HD2 ARG 70 -4.700 -14.215 -11.382 483 HD3 ARG 70 HD3 ARG 70 -5.768 -14.878 -10.143 484 HE ARG 70 HE ARG 70 -7.092 -12.965 -10.325 485 HH11 ARG 70 HH11 ARG 70 -4.019 -12.396 -11.937 486 HH12 ARG 70 HH12 ARG 70 -4.531 -10.901 -12.647 487 HH21 ARG 70 HH21 ARG 70 -7.718 -11.014 -11.291 488 HH22 ARG 70 HH22 ARG 70 -6.609 -10.129 -12.282 489 HA PRO 71 HA PRO 71 -0.185 -14.576 -6.021 490 HB2 PRO 71 HB2 PRO 71 -0.443 -17.141 -5.280 491 HB3 PRO 71 HB3 PRO 71 -0.832 -15.795 -4.182 492 HG2 PRO 71 HG2 PRO 71 -2.692 -17.420 -5.877 493 HG3 PRO 71 HG3 PRO 71 -2.828 -16.998 -4.145 494 HD2 PRO 71 HD2 PRO 71 -4.162 -15.666 -6.066 495 HD3 PRO 71 HD3 PRO 71 -3.547 -14.852 -4.608 496 H GLN 72 H GLN 72 -2.494 -16.606 -7.784 497 HA GLN 72 HA GLN 72 -0.679 -18.246 -9.171 498 HB2 GLN 72 HB2 GLN 72 -3.511 -17.415 -9.771 499 HB3 GLN 72 HB3 GLN 72 -2.635 -18.609 -10.739 500 HG2 GLN 72 HG2 GLN 72 -2.270 -19.970 -8.708 501 HG3 GLN 72 HG3 GLN 72 -3.160 -18.779 -7.756 502 HE21 GLN 72 HE21 GLN 72 -5.044 -19.973 -7.230 503 HE22 GLN 72 HE22 GLN 72 -6.085 -20.639 -8.393 504 H GLY 73 H GLY 73 -2.067 -15.166 -9.990 505 HA2 GLY 73 HA2 GLY 73 -0.793 -13.573 -11.334 506 HA3 GLY 73 HA3 GLY 73 -0.276 -14.938 -12.327 507 H LYS 74 H LYS 74 -2.845 -16.250 -12.461 508 HA LYS 74 HA LYS 74 -4.616 -14.305 -13.745 509 HB2 LYS 74 HB2 LYS 74 -4.882 -15.767 -15.734 510 HB3 LYS 74 HB3 LYS 74 -3.267 -15.072 -15.603 511 HG2 LYS 74 HG2 LYS 74 -2.458 -17.198 -14.586 512 HG3 LYS 74 HG3 LYS 74 -4.072 -17.887 -14.777 513 HD2 LYS 74 HD2 LYS 74 -2.837 -18.659 -16.662 514 HD3 LYS 74 HD3 LYS 74 -3.848 -17.349 -17.272 515 HE2 LYS 74 HE2 LYS 74 -1.975 -15.787 -17.145 516 HE3 LYS 74 HE3 LYS 74 -0.954 -17.029 -16.411 517 HZ1 LYS 74 HZ1 LYS 74 -1.931 -16.819 -19.178 518 HZ2 LYS 74 HZ2 LYS 74 -1.584 -18.351 -18.529 519 HZ3 LYS 74 HZ3 LYS 74 -0.370 -17.165 -18.613 520 H SER 75 H SER 75 -6.702 -14.671 -13.331 521 HA SER 75 HA SER 75 -7.509 -17.344 -12.350 522 HB2 SER 75 HB2 SER 75 -7.612 -15.786 -10.497 523 HB3 SER 75 HB3 SER 75 -8.519 -14.630 -11.470 524 HG SER 75 HG SER 75 -9.334 -17.270 -10.775 525 H TYR 76 H TYR 76 -9.275 -18.290 -13.312 526 HA TYR 76 HA TYR 76 -10.446 -16.825 -15.578 527 HB2 TYR 76 HB2 TYR 76 -10.523 -19.764 -14.850 528 HB3 TYR 76 HB3 TYR 76 -11.328 -19.065 -16.258 529 HD1 TYR 76 HD1 TYR 76 -8.095 -19.938 -14.740 530 HD2 TYR 76 HD2 TYR 76 -10.033 -18.158 -18.135 531 HE1 TYR 76 HE1 TYR 76 -5.973 -20.061 -16.016 532 HE2 TYR 76 HE2 TYR 76 -7.912 -18.279 -19.412 533 HH TYR 76 HH TYR 76 -5.222 -18.373 -18.496 534 H LEU 77 H LEU 77 -11.815 -15.467 -14.429 535 HA LEU 77 HA LEU 77 -14.363 -16.686 -13.647 536 HB2 LEU 77 HB2 LEU 77 -12.790 -14.729 -11.954 537 HB3 LEU 77 HB3 LEU 77 -14.513 -15.035 -11.730 538 HG LEU 77 HG LEU 77 -12.454 -17.262 -11.691 539 HD11 LEU 77 HD11 LEU 77 -13.603 -15.670 -9.378 540 HD12 LEU 77 HD12 LEU 77 -11.918 -15.671 -9.897 541 HD13 LEU 77 HD13 LEU 77 -12.632 -17.133 -9.215 542 HD21 LEU 77 HD21 LEU 77 -14.757 -17.996 -12.059 543 HD22 LEU 77 HD22 LEU 77 -15.319 -16.987 -10.725 544 HD23 LEU 77 HD23 LEU 77 -14.299 -18.388 -10.402 545 H TYR 78 H TYR 78 -16.194 -15.284 -14.006 546 HA TYR 78 HA TYR 78 -15.577 -13.037 -15.806 547 HB2 TYR 78 HB2 TYR 78 -17.278 -14.784 -16.466 548 HB3 TYR 78 HB3 TYR 78 -18.295 -14.204 -15.142 549 HD1 TYR 78 HD1 TYR 78 -16.761 -13.324 -18.396 550 HD2 TYR 78 HD2 TYR 78 -19.408 -12.059 -15.262 551 HE1 TYR 78 HE1 TYR 78 -17.584 -11.481 -19.836 552 HE2 TYR 78 HE2 TYR 78 -20.231 -10.225 -16.698 553 HH TYR 78 HH TYR 78 -19.458 -10.023 -20.064 554 H PHE 79 H PHE 79 -14.981 -11.384 -14.489 555 HA PHE 79 HA PHE 79 -16.318 -10.835 -12.002 556 HB2 PHE 79 HB2 PHE 79 -14.218 -9.319 -13.553 557 HB3 PHE 79 HB3 PHE 79 -14.831 -8.818 -11.972 558 HD1 PHE 79 HD1 PHE 79 -12.780 -11.259 -13.791 559 HD2 PHE 79 HD2 PHE 79 -14.418 -10.189 -9.970 560 HE1 PHE 79 HE1 PHE 79 -11.221 -12.833 -12.683 561 HE2 PHE 79 HE2 PHE 79 -12.860 -11.768 -8.860 562 HZ PHE 79 HZ PHE 79 -11.260 -13.089 -10.217 563 H THR 80 H THR 80 -17.899 -9.405 -11.561 564 HA THR 80 HA THR 80 -19.373 -8.248 -13.735 565 HB THR 80 HB THR 80 -19.686 -7.848 -10.746 566 HG1 THR 80 HG1 THR 80 -20.745 -9.663 -10.776 567 HG21 THR 80 HG21 THR 80 -22.022 -7.221 -11.356 568 HG22 THR 80 HG22 THR 80 -21.569 -7.294 -13.059 569 HG23 THR 80 HG23 THR 80 -20.832 -6.091 -12.002 570 H GLN 81 H GLN 81 -17.305 -6.988 -11.127 571 HA GLN 81 HA GLN 81 -16.107 -4.931 -12.556 572 HB2 GLN 81 HB2 GLN 81 -17.269 -2.893 -11.689 573 HB3 GLN 81 HB3 GLN 81 -18.265 -3.810 -12.814 574 HG2 GLN 81 HG2 GLN 81 -19.328 -4.937 -10.806 575 HG3 GLN 81 HG3 GLN 81 -18.434 -3.811 -9.783 576 HE21 GLN 81 HE21 GLN 81 -21.451 -4.221 -11.007 577 HE22 GLN 81 HE22 GLN 81 -21.918 -2.601 -11.195 578 H PHE 82 H PHE 82 -15.005 -3.286 -11.117 579 HA PHE 82 HA PHE 82 -14.667 -4.351 -8.362 580 HB2 PHE 82 HB2 PHE 82 -12.486 -3.279 -10.148 581 HB3 PHE 82 HB3 PHE 82 -12.317 -3.797 -8.471 582 HD1 PHE 82 HD1 PHE 82 -12.828 -4.931 -11.934 583 HD2 PHE 82 HD2 PHE 82 -12.387 -6.147 -7.839 584 HE1 PHE 82 HE1 PHE 82 -12.433 -7.264 -12.671 585 HE2 PHE 82 HE2 PHE 82 -11.996 -8.483 -8.574 586 HZ PHE 82 HZ PHE 82 -12.017 -9.040 -10.993 587 H LYS 83 H LYS 83 -14.332 -2.860 -6.717 588 HA LYS 83 HA LYS 83 -14.062 -0.023 -7.389 589 HB2 LYS 83 HB2 LYS 83 -16.294 -1.046 -5.603 590 HB3 LYS 83 HB3 LYS 83 -15.916 0.646 -5.937 591 HG2 LYS 83 HG2 LYS 83 -16.298 0.238 -8.346 592 HG3 LYS 83 HG3 LYS 83 -16.733 -1.426 -7.981 593 HD2 LYS 83 HD2 LYS 83 -18.579 -0.641 -6.541 594 HD3 LYS 83 HD3 LYS 83 -18.189 1.028 -6.977 595 HE2 LYS 83 HE2 LYS 83 -18.545 0.497 -9.346 596 HE3 LYS 83 HE3 LYS 83 -18.946 -1.165 -8.909 597 HZ1 LYS 83 HZ1 LYS 83 -20.414 1.021 -7.610 598 HZ2 LYS 83 HZ2 LYS 83 -20.922 -0.559 -7.976 599 HZ3 LYS 83 HZ3 LYS 83 -20.823 0.612 -9.204 600 H ALA 84 H ALA 84 -13.090 1.216 -5.748 601 HA ALA 84 HA ALA 84 -12.417 -0.129 -3.230 602 HB1 ALA 84 HB1 ALA 84 -10.545 -0.718 -4.619 603 HB2 ALA 84 HB2 ALA 84 -10.021 0.535 -3.492 604 HB3 ALA 84 HB3 ALA 84 -10.369 0.948 -5.171 605 H GLU 85 H GLU 85 -12.121 1.223 -1.506 606 HA GLU 85 HA GLU 85 -11.747 4.061 -1.879 607 HB2 GLU 85 HB2 GLU 85 -13.826 4.751 -0.753 608 HB3 GLU 85 HB3 GLU 85 -14.165 3.862 -2.235 609 HG2 GLU 85 HG2 GLU 85 -14.528 1.788 -0.913 610 HG3 GLU 85 HG3 GLU 85 -14.235 2.704 0.569 611 H VAL 86 H VAL 86 -11.792 5.192 0.359 612 HA VAL 86 HA VAL 86 -10.798 3.339 2.450 613 HB VAL 86 HB VAL 86 -9.068 5.002 3.049 614 HG11 VAL 86 HG11 VAL 86 -7.543 4.402 1.293 615 HG12 VAL 86 HG12 VAL 86 -8.858 4.218 0.132 616 HG13 VAL 86 HG13 VAL 86 -8.678 3.062 1.452 617 HG21 VAL 86 HG21 VAL 86 -10.026 7.047 2.161 618 HG22 VAL 86 HG22 VAL 86 -10.072 6.375 0.532 619 HG23 VAL 86 HG23 VAL 86 -8.522 6.749 1.287 620 H ARG 87 H ARG 87 -10.807 4.189 4.630 621 HA ARG 87 HA ARG 87 -12.794 6.340 5.060 622 HB2 ARG 87 HB2 ARG 87 -12.601 3.749 6.601 623 HB3 ARG 87 HB3 ARG 87 -13.680 5.089 6.992 624 HG2 ARG 87 HG2 ARG 87 -13.719 3.674 4.311 625 HG3 ARG 87 HG3 ARG 87 -14.742 3.193 5.662 626 HD2 ARG 87 HD2 ARG 87 -14.720 5.948 4.379 627 HD3 ARG 87 HD3 ARG 87 -15.942 4.706 4.118 628 HE ARG 87 HE ARG 87 -15.657 6.396 6.470 629 HH11 ARG 87 HH11 ARG 87 -17.029 3.422 5.197 630 HH12 ARG 87 HH12 ARG 87 -18.255 3.320 6.417 631 HH21 ARG 87 HH21 ARG 87 -17.272 6.225 8.044 632 HH22 ARG 87 HH22 ARG 87 -18.389 4.901 8.020 633 H GLY 88 H GLY 88 -12.478 7.688 6.764 634 HA2 GLY 88 HA2 GLY 88 -11.411 8.703 8.554 635 HA3 GLY 88 HA3 GLY 88 -10.401 7.267 8.721 636 H ALA 89 H ALA 89 -10.384 8.398 5.512 637 HA ALA 89 HA ALA 89 -8.282 10.358 5.763 638 HB1 ALA 89 HB1 ALA 89 -7.525 7.765 4.449 639 HB2 ALA 89 HB2 ALA 89 -7.223 8.066 6.161 640 HB3 ALA 89 HB3 ALA 89 -6.482 9.097 4.942 641 H GLU 90 H GLU 90 -7.290 10.761 3.500 642 HA GLU 90 HA GLU 90 -9.448 10.603 1.473 643 HB2 GLU 90 HB2 GLU 90 -8.548 12.707 0.540 644 HB3 GLU 90 HB3 GLU 90 -9.077 12.911 2.209 645 HG2 GLU 90 HG2 GLU 90 -6.738 12.662 2.984 646 HG3 GLU 90 HG3 GLU 90 -6.207 12.473 1.312 647 H ILE 91 H ILE 91 -8.895 10.318 -0.676 648 HA ILE 91 HA ILE 91 -6.519 8.678 -1.063 649 HB ILE 91 HB ILE 91 -7.540 8.195 -3.305 650 HG12 ILE 91 HG12 ILE 91 -10.036 9.512 -2.177 651 HG13 ILE 91 HG13 ILE 91 -8.958 10.356 -3.287 652 HG21 ILE 91 HG21 ILE 91 -7.859 6.843 -1.156 653 HG22 ILE 91 HG22 ILE 91 -9.030 6.584 -2.448 654 HG23 ILE 91 HG23 ILE 91 -9.457 7.591 -1.061 655 HD11 ILE 91 HD11 ILE 91 -9.254 8.364 -4.869 656 HD12 ILE 91 HD12 ILE 91 -10.679 9.381 -4.644 657 HD13 ILE 91 HD13 ILE 91 -10.557 7.834 -3.804 658 H GLU 92 H GLU 92 -4.838 9.150 -2.293 659 HA GLU 92 HA GLU 92 -4.732 11.834 -3.461 660 HB2 GLU 92 HB2 GLU 92 -2.505 9.899 -2.831 661 HB3 GLU 92 HB3 GLU 92 -2.286 11.463 -3.624 662 HG2 GLU 92 HG2 GLU 92 -1.909 11.895 -1.309 663 HG3 GLU 92 HG3 GLU 92 -3.554 12.469 -1.612 664 H TYR 93 H TYR 93 -4.271 8.388 -4.138 665 HA TYR 93 HA TYR 93 -5.118 8.722 -6.852 666 HB2 TYR 93 HB2 TYR 93 -2.637 9.391 -6.832 667 HB3 TYR 93 HB3 TYR 93 -2.305 7.679 -6.594 668 HD1 TYR 93 HD1 TYR 93 -3.768 10.177 -8.906 669 HD2 TYR 93 HD2 TYR 93 -2.676 6.057 -8.360 670 HE1 TYR 93 HE1 TYR 93 -4.092 9.771 -11.329 671 HE2 TYR 93 HE2 TYR 93 -3.002 5.658 -10.788 672 HH TYR 93 HH TYR 93 -2.937 7.701 -13.017 673 H ALA 94 H ALA 94 -6.226 6.991 -7.357 674 HA ALA 94 HA ALA 94 -5.471 4.362 -6.219 675 HB1 ALA 94 HB1 ALA 94 -7.912 3.793 -6.363 676 HB2 ALA 94 HB2 ALA 94 -8.233 5.482 -6.754 677 HB3 ALA 94 HB3 ALA 94 -7.546 5.054 -5.188 678 H MET 95 H MET 95 -5.142 2.760 -7.665 679 HA MET 95 HA MET 95 -6.308 2.834 -10.325 680 HB2 MET 95 HB2 MET 95 -4.152 2.771 -11.516 681 HB3 MET 95 HB3 MET 95 -4.364 4.289 -10.641 682 HG2 MET 95 HG2 MET 95 -2.953 3.437 -8.801 683 HG3 MET 95 HG3 MET 95 -2.768 1.903 -9.656 684 HE1 MET 95 HE1 MET 95 -0.290 2.206 -9.239 685 HE2 MET 95 HE2 MET 95 -0.330 3.858 -8.628 686 HE3 MET 95 HE3 MET 95 0.754 3.444 -9.954 687 H ALA 96 H ALA 96 -5.482 0.958 -11.673 688 HA ALA 96 HA ALA 96 -4.715 -1.371 -10.053 689 HB1 ALA 96 HB1 ALA 96 -6.715 -2.241 -11.916 690 HB2 ALA 96 HB2 ALA 96 -7.374 -0.888 -11.004 691 HB3 ALA 96 HB3 ALA 96 -6.759 -2.301 -10.158 692 H TYR 97 H TYR 97 -3.870 -3.152 -11.340 693 HA TYR 97 HA TYR 97 -2.974 -2.303 -14.042 694 HB2 TYR 97 HB2 TYR 97 -1.503 -3.921 -11.974 695 HB3 TYR 97 HB3 TYR 97 -0.974 -3.762 -13.648 696 HD1 TYR 97 HD1 TYR 97 -1.328 -2.065 -10.415 697 HD2 TYR 97 HD2 TYR 97 -0.268 -1.584 -14.548 698 HE1 TYR 97 HE1 TYR 97 -0.254 0.106 -9.887 699 HE2 TYR 97 HE2 TYR 97 0.805 0.585 -14.023 700 HH TYR 97 HH TYR 97 0.712 2.315 -12.327 701 H SER 98 H SER 98 -4.105 -3.356 -15.511 702 HA SER 98 HA SER 98 -5.378 -5.864 -15.151 703 HB2 SER 98 HB2 SER 98 -4.651 -4.338 -17.651 704 HB3 SER 98 HB3 SER 98 -5.625 -5.808 -17.639 705 HG SER 98 HG SER 98 -7.206 -4.750 -16.600 706 H LYS 99 H LYS 99 -2.307 -4.921 -16.602 707 HA LYS 99 HA LYS 99 -1.525 -7.783 -16.682 708 HB2 LYS 99 HB2 LYS 99 -1.943 -6.876 -18.967 709 HB3 LYS 99 HB3 LYS 99 -0.731 -5.635 -18.676 710 HG2 LYS 99 HG2 LYS 99 0.342 -7.407 -19.925 711 HG3 LYS 99 HG3 LYS 99 0.951 -7.495 -18.270 712 HD2 LYS 99 HD2 LYS 99 -0.582 -9.323 -17.754 713 HD3 LYS 99 HD3 LYS 99 -1.334 -9.186 -19.345 714 HE2 LYS 99 HE2 LYS 99 0.810 -9.774 -20.414 715 HE3 LYS 99 HE3 LYS 99 1.568 -9.911 -18.827 716 HZ1 LYS 99 HZ1 LYS 99 -0.721 -11.531 -19.804 717 HZ2 LYS 99 HZ2 LYS 99 -0.008 -11.656 -18.267 718 HZ3 LYS 99 HZ3 LYS 99 0.880 -12.069 -19.656 719 H ALA 100 H ALA 100 0.228 -8.260 -15.534 720 HA ALA 100 HA ALA 100 1.742 -6.144 -14.247 721 HB1 ALA 100 HB1 ALA 100 2.654 -7.825 -12.873 722 HB2 ALA 100 HB2 ALA 100 2.324 -9.092 -14.055 723 HB3 ALA 100 HB3 ALA 100 0.995 -8.352 -13.162 724 H ALA 101 H ALA 101 3.729 -5.462 -14.764 725 HA ALA 101 HA ALA 101 4.842 -5.982 -17.297 726 HB1 ALA 101 HB1 ALA 101 5.863 -4.072 -16.736 727 HB2 ALA 101 HB2 ALA 101 6.915 -4.966 -15.646 728 HB3 ALA 101 HB3 ALA 101 5.412 -4.267 -15.048 729 H PHE 102 H PHE 102 6.256 -7.422 -18.042 730 HA PHE 102 HA PHE 102 7.481 -9.312 -16.115 731 HB2 PHE 102 HB2 PHE 102 5.788 -10.330 -17.637 732 HB3 PHE 102 HB3 PHE 102 6.751 -9.810 -19.020 733 HD1 PHE 102 HD1 PHE 102 6.750 -11.981 -15.993 734 HD2 PHE 102 HD2 PHE 102 8.706 -11.024 -19.696 735 HE1 PHE 102 HE1 PHE 102 8.134 -14.027 -15.790 736 HE2 PHE 102 HE2 PHE 102 10.092 -13.071 -19.493 737 HZ PHE 102 HZ PHE 102 9.806 -14.573 -17.540 738 H GLU 103 H GLU 103 9.530 -8.727 -15.813 739 HA GLU 103 HA GLU 103 11.619 -7.920 -16.152 740 HB2 GLU 103 HB2 GLU 103 11.650 -10.299 -16.884 741 HB3 GLU 103 HB3 GLU 103 11.470 -9.755 -18.551 742 HG2 GLU 103 HG2 GLU 103 13.811 -10.126 -18.073 743 HG3 GLU 103 HG3 GLU 103 13.546 -8.399 -18.302 744 H ARG 104 H ARG 104 11.105 -8.245 -19.674 745 HA ARG 104 HA ARG 104 12.052 -5.504 -20.029 746 HB2 ARG 104 HB2 ARG 104 11.647 -7.788 -21.951 747 HB3 ARG 104 HB3 ARG 104 12.209 -6.183 -22.430 748 HG2 ARG 104 HG2 ARG 104 14.068 -6.426 -20.734 749 HG3 ARG 104 HG3 ARG 104 13.574 -8.112 -20.529 750 HD2 ARG 104 HD2 ARG 104 14.383 -6.848 -23.165 751 HD3 ARG 104 HD3 ARG 104 15.428 -7.861 -22.176 752 HE ARG 104 HE ARG 104 13.162 -8.747 -23.802 753 HH11 ARG 104 HH11 ARG 104 15.498 -9.605 -21.318 754 HH12 ARG 104 HH12 ARG 104 15.296 -11.309 -21.552 755 HH21 ARG 104 HH21 ARG 104 12.929 -10.977 -24.064 756 HH22 ARG 104 HH22 ARG 104 13.850 -12.079 -23.095 757 H GLU 105 H GLU 105 9.038 -6.719 -19.581 758 HA GLU 105 HA GLU 105 7.811 -4.932 -21.600 759 HB2 GLU 105 HB2 GLU 105 6.579 -7.339 -20.258 760 HB3 GLU 105 HB3 GLU 105 5.817 -6.331 -21.484 761 HG2 GLU 105 HG2 GLU 105 7.718 -6.906 -23.046 762 HG3 GLU 105 HG3 GLU 105 8.285 -8.056 -21.840 763 H SER 106 H SER 106 6.556 -3.326 -20.969 764 HA SER 106 HA SER 106 6.353 -2.653 -18.173 765 HB2 SER 106 HB2 SER 106 5.316 -0.616 -18.920 766 HB3 SER 106 HB3 SER 106 6.665 -0.962 -20.000 767 HG SER 106 HG SER 106 5.281 -1.155 -21.575 768 H ASP 107 H ASP 107 4.408 -2.089 -17.122 769 HA ASP 107 HA ASP 107 2.437 -4.190 -17.428 770 HB2 ASP 107 HB2 ASP 107 1.637 -3.441 -15.286 771 HB3 ASP 107 HB3 ASP 107 3.381 -3.597 -15.223 772 H VAL 108 H VAL 108 0.103 -3.678 -17.345 773 HA VAL 108 HA VAL 108 -0.503 -1.215 -18.883 774 HB VAL 108 HB VAL 108 -2.016 -3.853 -18.853 775 HG11 VAL 108 HG11 VAL 108 -2.421 -1.339 -20.512 776 HG12 VAL 108 HG12 VAL 108 -3.503 -1.929 -19.251 777 HG13 VAL 108 HG13 VAL 108 -3.292 -2.856 -20.735 778 HG21 VAL 108 HG21 VAL 108 -1.180 -4.075 -21.173 779 HG22 VAL 108 HG22 VAL 108 0.163 -3.975 -20.036 780 HG23 VAL 108 HG23 VAL 108 -0.283 -2.566 -20.997 781 HA PRO 109 HA PRO 109 -2.904 -0.455 -15.005 782 HB2 PRO 109 HB2 PRO 109 -2.945 2.203 -15.038 783 HB3 PRO 109 HB3 PRO 109 -1.446 1.322 -14.662 784 HG2 PRO 109 HG2 PRO 109 -2.284 2.608 -17.221 785 HG3 PRO 109 HG3 PRO 109 -0.709 2.651 -16.402 786 HD2 PRO 109 HD2 PRO 109 -1.290 0.954 -18.501 787 HD3 PRO 109 HD3 PRO 109 -0.049 0.621 -17.271 788 H LEU 110 H LEU 110 -5.095 -0.201 -14.714 789 HA LEU 110 HA LEU 110 -6.817 0.195 -16.997 790 HB2 LEU 110 HB2 LEU 110 -7.383 -0.250 -14.063 791 HB3 LEU 110 HB3 LEU 110 -8.657 0.033 -15.250 792 HG LEU 110 HG LEU 110 -6.583 -2.162 -15.553 793 HD11 LEU 110 HD11 LEU 110 -9.435 -2.543 -14.603 794 HD12 LEU 110 HD12 LEU 110 -8.097 -2.353 -13.476 795 HD13 LEU 110 HD13 LEU 110 -8.118 -3.713 -14.595 796 HD21 LEU 110 HD21 LEU 110 -8.489 -3.063 -17.055 797 HD22 LEU 110 HD22 LEU 110 -7.615 -1.658 -17.660 798 HD23 LEU 110 HD23 LEU 110 -9.201 -1.455 -16.920 799 H LYS 111 H LYS 111 -8.299 1.866 -17.321 800 HA LYS 111 HA LYS 111 -7.323 4.452 -16.580 801 HB2 LYS 111 HB2 LYS 111 -9.024 5.334 -18.056 802 HB3 LYS 111 HB3 LYS 111 -8.293 3.926 -18.824 803 HG2 LYS 111 HG2 LYS 111 -10.228 2.531 -18.016 804 HG3 LYS 111 HG3 LYS 111 -10.948 3.990 -17.347 805 HD2 LYS 111 HD2 LYS 111 -11.008 5.020 -19.580 806 HD3 LYS 111 HD3 LYS 111 -10.283 3.572 -20.272 807 HE2 LYS 111 HE2 LYS 111 -12.205 2.229 -19.534 808 HE3 LYS 111 HE3 LYS 111 -12.941 3.661 -18.813 809 HZ1 LYS 111 HZ1 LYS 111 -13.714 3.038 -21.116 810 HZ2 LYS 111 HZ2 LYS 111 -12.186 3.534 -21.672 811 HZ3 LYS 111 HZ3 LYS 111 -13.219 4.647 -20.908 812 H THR 112 H THR 112 -8.501 6.137 -15.570 813 HA THR 112 HA THR 112 -9.800 5.444 -13.134 814 HB THR 112 HB THR 112 -9.714 8.120 -14.587 815 HG1 THR 112 HG1 THR 112 -8.098 7.113 -12.485 816 HG21 THR 112 HG21 THR 112 -10.205 9.103 -12.419 817 HG22 THR 112 HG22 THR 112 -10.170 7.518 -11.649 818 HG23 THR 112 HG23 THR 112 -11.458 7.917 -12.786 819 H GLU 113 H GLU 113 -10.920 6.473 -16.316 820 HA GLU 113 HA GLU 113 -13.595 6.999 -15.839 821 HB2 GLU 113 HB2 GLU 113 -12.272 7.361 -17.953 822 HB3 GLU 113 HB3 GLU 113 -12.528 5.651 -18.298 823 HG2 GLU 113 HG2 GLU 113 -14.954 5.967 -18.207 824 HG3 GLU 113 HG3 GLU 113 -14.741 7.674 -17.823 825 H GLU 114 H GLU 114 -11.998 3.939 -15.657 826 HA GLU 114 HA GLU 114 -14.105 2.197 -16.401 827 HB2 GLU 114 HB2 GLU 114 -11.767 1.433 -16.117 828 HB3 GLU 114 HB3 GLU 114 -11.885 1.727 -14.379 829 HG2 GLU 114 HG2 GLU 114 -13.712 0.068 -14.212 830 HG3 GLU 114 HG3 GLU 114 -13.623 -0.224 -15.947 831 H PHE 115 H PHE 115 -13.266 3.756 -13.350 832 HA PHE 115 HA PHE 115 -15.972 3.347 -12.345 833 HB2 PHE 115 HB2 PHE 115 -15.298 2.233 -10.260 834 HB3 PHE 115 HB3 PHE 115 -14.916 1.244 -11.670 835 HD1 PHE 115 HD1 PHE 115 -13.510 3.307 -8.955 836 HD2 PHE 115 HD2 PHE 115 -12.601 0.892 -12.390 837 HE1 PHE 115 HE1 PHE 115 -11.126 3.227 -8.270 838 HE2 PHE 115 HE2 PHE 115 -10.219 0.813 -11.704 839 HZ PHE 115 HZ PHE 115 -9.482 1.979 -9.645 840 H GLU 116 H GLU 116 -16.356 4.405 -10.272 841 HA GLU 116 HA GLU 116 -14.699 6.831 -9.976 842 HB2 GLU 116 HB2 GLU 116 -16.981 7.186 -10.878 843 HB3 GLU 116 HB3 GLU 116 -17.652 6.468 -9.416 844 HG2 GLU 116 HG2 GLU 116 -17.689 8.901 -9.190 845 HG3 GLU 116 HG3 GLU 116 -16.522 8.228 -8.055 846 H VAL 117 H VAL 117 -14.030 7.444 -7.974 847 HA VAL 117 HA VAL 117 -14.875 5.821 -5.642 848 HB VAL 117 HB VAL 117 -12.555 5.933 -4.787 849 HG11 VAL 117 HG11 VAL 117 -13.370 3.989 -6.120 850 HG12 VAL 117 HG12 VAL 117 -11.630 4.239 -6.267 851 HG13 VAL 117 HG13 VAL 117 -12.707 4.744 -7.570 852 HG21 VAL 117 HG21 VAL 117 -11.834 7.970 -6.027 853 HG22 VAL 117 HG22 VAL 117 -11.911 7.067 -7.539 854 HG23 VAL 117 HG23 VAL 117 -10.727 6.625 -6.309 855 H THR 118 H THR 118 -14.997 6.868 -3.686 856 HA THR 118 HA THR 118 -14.530 9.767 -3.617 857 HB THR 118 HB THR 118 -17.087 8.554 -2.553 858 HG1 THR 118 HG1 THR 118 -18.029 9.093 -4.422 859 HG21 THR 118 HG21 THR 118 -16.538 10.614 -1.481 860 HG22 THR 118 HG22 THR 118 -17.762 10.991 -2.692 861 HG23 THR 118 HG23 THR 118 -16.066 11.357 -3.010 862 H LYS 119 H LYS 119 -14.439 10.636 -1.477 863 HA LYS 119 HA LYS 119 -12.769 9.239 0.230 864 HB2 LYS 119 HB2 LYS 119 -13.232 11.005 1.883 865 HB3 LYS 119 HB3 LYS 119 -12.991 11.678 0.272 866 HG2 LYS 119 HG2 LYS 119 -15.487 11.728 -0.028 867 HG3 LYS 119 HG3 LYS 119 -15.659 11.208 1.650 868 HD2 LYS 119 HD2 LYS 119 -14.095 13.681 0.876 869 HD3 LYS 119 HD3 LYS 119 -15.822 13.731 1.229 870 HE2 LYS 119 HE2 LYS 119 -15.358 12.712 3.462 871 HE3 LYS 119 HE3 LYS 119 -13.632 12.791 3.109 872 HZ1 LYS 119 HZ1 LYS 119 -15.528 15.047 3.404 873 HZ2 LYS 119 HZ2 LYS 119 -13.981 15.228 2.724 874 HZ3 LYS 119 HZ3 LYS 119 -14.151 14.716 4.334 875 H THR 120 H THR 120 -16.240 9.019 -0.018 876 HA THR 120 HA THR 120 -16.250 7.001 2.097 877 HB THR 120 HB THR 120 -16.704 9.069 3.314 878 HG1 THR 120 HG1 THR 120 -19.089 7.578 2.980 879 HG21 THR 120 HG21 THR 120 -18.973 9.361 1.329 880 HG22 THR 120 HG22 THR 120 -17.638 10.481 1.602 881 HG23 THR 120 HG23 THR 120 -18.878 10.269 2.838 882 H ALA 121 H ALA 121 -16.861 7.322 -0.936 883 HA ALA 121 HA ALA 121 -19.063 5.443 -0.950 884 HB1 ALA 121 HB1 ALA 121 -20.381 6.907 -2.598 885 HB2 ALA 121 HB2 ALA 121 -19.438 8.253 -1.957 886 HB3 ALA 121 HB3 ALA 121 -20.478 7.316 -0.885 887 H VAL 122 H VAL 122 -19.488 4.530 -3.061 888 HA VAL 122 HA VAL 122 -17.451 5.100 -5.112 889 HB VAL 122 HB VAL 122 -17.169 2.671 -5.532 890 HG11 VAL 122 HG11 VAL 122 -15.860 2.242 -3.390 891 HG12 VAL 122 HG12 VAL 122 -16.480 3.796 -2.825 892 HG13 VAL 122 HG13 VAL 122 -15.474 3.720 -4.272 893 HG21 VAL 122 HG21 VAL 122 -17.969 1.032 -3.922 894 HG22 VAL 122 HG22 VAL 122 -19.357 1.996 -4.426 895 HG23 VAL 122 HG23 VAL 122 -18.590 2.302 -2.867 896 H ALA 123 H ALA 123 -18.020 4.567 -7.239 897 HA ALA 123 HA ALA 123 -20.624 3.478 -7.782 898 HB1 ALA 123 HB1 ALA 123 -21.190 5.832 -7.354 899 HB2 ALA 123 HB2 ALA 123 -21.450 5.418 -9.049 900 HB3 ALA 123 HB3 ALA 123 -20.022 6.336 -8.574 901 H HIS 124 H HIS 124 -20.860 2.785 -9.927 902 HA HIS 124 HA HIS 124 -18.383 2.367 -11.331 903 HB2 HIS 124 HB2 HIS 124 -19.692 0.913 -12.804 904 HB3 HIS 124 HB3 HIS 124 -20.033 0.549 -11.112 905 HD2 HIS 124 HD2 HIS 124 -21.924 1.687 -14.295 906 HE1 HIS 124 HE1 HIS 124 -24.650 2.003 -11.088 907 HE2 HIS 124 HE2 HIS 124 -24.413 2.075 -13.616 908 H ARG 125 H ARG 125 -17.998 2.864 -13.510 909 HA ARG 125 HA ARG 125 -19.420 5.255 -14.506 910 HB2 ARG 125 HB2 ARG 125 -16.552 4.409 -14.718 911 HB3 ARG 125 HB3 ARG 125 -17.230 5.690 -15.726 912 HG2 ARG 125 HG2 ARG 125 -17.354 5.715 -12.689 913 HG3 ARG 125 HG3 ARG 125 -16.067 6.502 -13.608 914 HD2 ARG 125 HD2 ARG 125 -17.890 7.773 -14.854 915 HD3 ARG 125 HD3 ARG 125 -19.031 7.138 -13.669 916 HE ARG 125 HE ARG 125 -16.825 8.386 -12.357 917 HH11 ARG 125 HH11 ARG 125 -19.735 9.183 -14.155 918 HH12 ARG 125 HH12 ARG 125 -19.926 10.728 -13.398 919 HH21 ARG 125 HH21 ARG 125 -17.114 10.404 -11.389 920 HH22 ARG 125 HH22 ARG 125 -18.446 11.414 -11.839 921 HA PRO 126 HA PRO 126 -20.573 3.021 -18.238 922 HB2 PRO 126 HB2 PRO 126 -19.553 5.367 -19.781 923 HB3 PRO 126 HB3 PRO 126 -21.147 4.582 -19.837 924 HG2 PRO 126 HG2 PRO 126 -20.884 6.912 -18.659 925 HG3 PRO 126 HG3 PRO 126 -21.886 5.647 -17.914 926 HD2 PRO 126 HD2 PRO 126 -19.108 6.520 -17.165 927 HD3 PRO 126 HD3 PRO 126 -20.482 6.098 -16.110 928 H GLY 127 H GLY 127 -19.554 1.647 -19.685 929 HA2 GLY 127 HA2 GLY 127 -17.856 0.785 -21.048 930 HA3 GLY 127 HA3 GLY 127 -16.837 2.148 -20.595 931 H ALA 128 H ALA 128 -18.214 0.694 -17.836 932 HA ALA 128 HA ALA 128 -15.811 -0.081 -16.674 933 HB1 ALA 128 HB1 ALA 128 -17.983 0.309 -15.483 934 HB2 ALA 128 HB2 ALA 128 -17.136 -1.152 -14.974 935 HB3 ALA 128 HB3 ALA 128 -18.522 -1.269 -16.058 936 H PHE 129 H PHE 129 -14.773 -2.023 -16.390 937 HA PHE 129 HA PHE 129 -15.050 -3.929 -18.564 938 HB2 PHE 129 HB2 PHE 129 -13.060 -3.619 -16.320 939 HB3 PHE 129 HB3 PHE 129 -13.021 -4.974 -17.451 940 HD1 PHE 129 HD1 PHE 129 -12.549 -1.341 -17.085 941 HD2 PHE 129 HD2 PHE 129 -12.493 -4.644 -19.822 942 HE1 PHE 129 HE1 PHE 129 -11.372 0.064 -18.750 943 HE2 PHE 129 HE2 PHE 129 -11.316 -3.239 -21.491 944 HZ PHE 129 HZ PHE 129 -10.756 -0.886 -20.955 945 H LYS 130 H LYS 130 -15.575 -6.054 -18.445 946 HA LYS 130 HA LYS 130 -16.466 -7.104 -15.833 947 HB2 LYS 130 HB2 LYS 130 -17.896 -7.544 -18.473 948 HB3 LYS 130 HB3 LYS 130 -18.363 -8.217 -16.908 949 HG2 LYS 130 HG2 LYS 130 -18.745 -5.950 -16.021 950 HG3 LYS 130 HG3 LYS 130 -18.212 -5.251 -17.544 951 HD2 LYS 130 HD2 LYS 130 -20.452 -5.238 -18.044 952 HD3 LYS 130 HD3 LYS 130 -20.175 -6.910 -18.502 953 HE2 LYS 130 HE2 LYS 130 -20.914 -6.163 -15.665 954 HE3 LYS 130 HE3 LYS 130 -22.146 -6.412 -16.900 955 HZ1 LYS 130 HZ1 LYS 130 -20.792 -8.584 -17.308 956 HZ2 LYS 130 HZ2 LYS 130 -21.944 -8.505 -16.062 957 HZ3 LYS 130 HZ3 LYS 130 -20.290 -8.341 -15.708 958 H ALA 131 H ALA 131 -15.388 -7.839 -19.123 959 HA ALA 131 HA ALA 131 -14.801 -10.613 -18.478 960 HB1 ALA 131 HB1 ALA 131 -15.686 -9.997 -20.693 961 HB2 ALA 131 HB2 ALA 131 -14.124 -10.809 -20.808 962 HB3 ALA 131 HB3 ALA 131 -14.225 -9.059 -21.005 963 H GLU 132 H GLU 132 -13.151 -7.751 -17.920 964 HA GLU 132 HA GLU 132 -10.493 -8.949 -18.330 965 HB2 GLU 132 HB2 GLU 132 -10.873 -6.740 -19.364 966 HB3 GLU 132 HB3 GLU 132 -11.258 -6.062 -17.782 967 HG2 GLU 132 HG2 GLU 132 -8.923 -5.550 -18.349 968 HG3 GLU 132 HG3 GLU 132 -8.967 -6.669 -16.992 969 H LEU 133 H LEU 133 -9.194 -9.467 -16.695 970 HA LEU 133 HA LEU 133 -10.117 -8.993 -13.927 971 HB2 LEU 133 HB2 LEU 133 -8.637 -10.882 -13.314 972 HB3 LEU 133 HB3 LEU 133 -9.875 -11.367 -14.466 973 HG LEU 133 HG LEU 133 -7.239 -10.434 -15.609 974 HD11 LEU 133 HD11 LEU 133 -6.181 -11.833 -14.110 975 HD12 LEU 133 HD12 LEU 133 -6.526 -12.981 -15.396 976 HD13 LEU 133 HD13 LEU 133 -7.554 -12.927 -13.964 977 HD21 LEU 133 HD21 LEU 133 -7.843 -11.759 -17.438 978 HD22 LEU 133 HD22 LEU 133 -9.447 -11.362 -16.831 979 HD23 LEU 133 HD23 LEU 133 -8.731 -12.923 -16.459 980 H SER 134 H SER 134 -8.483 -8.370 -12.302 981 HA SER 134 HA SER 134 -5.870 -7.510 -13.140 982 HB2 SER 134 HB2 SER 134 -7.252 -5.788 -14.233 983 HB3 SER 134 HB3 SER 134 -7.982 -5.400 -12.683 984 HG SER 134 HG SER 134 -6.227 -4.017 -13.210 985 H LYS 135 H LYS 135 -4.927 -5.920 -11.468 986 HA LYS 135 HA LYS 135 -5.800 -6.707 -8.758 987 HB2 LYS 135 HB2 LYS 135 -3.461 -6.420 -8.028 988 HB3 LYS 135 HB3 LYS 135 -3.587 -7.689 -9.242 989 HG2 LYS 135 HG2 LYS 135 -2.872 -6.024 -10.975 990 HG3 LYS 135 HG3 LYS 135 -2.674 -4.823 -9.697 991 HD2 LYS 135 HD2 LYS 135 -1.027 -6.295 -8.576 992 HD3 LYS 135 HD3 LYS 135 -1.199 -7.470 -9.882 993 HE2 LYS 135 HE2 LYS 135 0.774 -6.128 -10.318 994 HE3 LYS 135 HE3 LYS 135 -0.468 -5.687 -11.495 995 HZ1 LYS 135 HZ1 LYS 135 0.173 -4.219 -8.990 996 HZ2 LYS 135 HZ2 LYS 135 -1.063 -3.805 -10.080 997 HZ3 LYS 135 HZ3 LYS 135 0.563 -3.723 -10.562 998 H LEU 136 H LEU 136 -5.821 -5.130 -7.174 999 HA LEU 136 HA LEU 136 -5.964 -2.374 -8.209 1000 HB2 LEU 136 HB2 LEU 136 -7.266 -3.753 -5.878 1001 HB3 LEU 136 HB3 LEU 136 -7.335 -2.003 -6.100 1002 HG LEU 136 HG LEU 136 -8.179 -3.918 -8.286 1003 HD11 LEU 136 HD11 LEU 136 -9.607 -4.487 -6.431 1004 HD12 LEU 136 HD12 LEU 136 -10.535 -3.411 -7.472 1005 HD13 LEU 136 HD13 LEU 136 -9.810 -2.791 -5.991 1006 HD21 LEU 136 HD21 LEU 136 -7.700 -1.332 -8.595 1007 HD22 LEU 136 HD22 LEU 136 -9.229 -1.120 -7.762 1008 HD23 LEU 136 HD23 LEU 136 -9.172 -2.013 -9.278 1009 H VAL 137 H VAL 137 -5.034 -0.664 -7.183 1010 HA VAL 137 HA VAL 137 -3.492 -1.073 -4.752 1011 HB VAL 137 HB VAL 137 -1.852 -1.488 -6.553 1012 HG11 VAL 137 HG11 VAL 137 -1.240 0.308 -8.118 1013 HG12 VAL 137 HG12 VAL 137 -2.541 1.311 -7.482 1014 HG13 VAL 137 HG13 VAL 137 -2.918 -0.185 -8.337 1015 HG21 VAL 137 HG21 VAL 137 -0.149 0.045 -5.790 1016 HG22 VAL 137 HG22 VAL 137 -1.220 -0.256 -4.422 1017 HG23 VAL 137 HG23 VAL 137 -1.357 1.248 -5.334 1018 H ILE 138 H ILE 138 -3.907 0.530 -3.392 1019 HA ILE 138 HA ILE 138 -4.890 3.115 -4.461 1020 HB ILE 138 HB ILE 138 -5.895 1.733 -1.947 1021 HG12 ILE 138 HG12 ILE 138 -8.077 1.672 -3.490 1022 HG13 ILE 138 HG13 ILE 138 -6.902 1.742 -4.806 1023 HG21 ILE 138 HG21 ILE 138 -6.169 4.092 -1.712 1024 HG22 ILE 138 HG22 ILE 138 -7.741 3.496 -2.248 1025 HG23 ILE 138 HG23 ILE 138 -6.658 4.281 -3.397 1026 HD11 ILE 138 HD11 ILE 138 -6.526 -0.276 -2.596 1027 HD12 ILE 138 HD12 ILE 138 -6.017 -0.359 -4.283 1028 HD13 ILE 138 HD13 ILE 138 -7.711 -0.585 -3.864 1029 H VAL 139 H VAL 139 -3.933 4.908 -3.736 1030 HA VAL 139 HA VAL 139 -2.182 4.709 -1.344 1031 HB VAL 139 HB VAL 139 -1.940 6.596 -3.725 1032 HG11 VAL 139 HG11 VAL 139 -1.166 7.496 -1.486 1033 HG12 VAL 139 HG12 VAL 139 0.098 7.393 -2.711 1034 HG13 VAL 139 HG13 VAL 139 0.007 6.178 -1.437 1035 HG21 VAL 139 HG21 VAL 139 -1.277 4.341 -4.361 1036 HG22 VAL 139 HG22 VAL 139 -0.320 4.163 -2.891 1037 HG23 VAL 139 HG23 VAL 139 0.186 5.302 -4.139 1038 H ALA 140 H ALA 140 -2.962 5.730 0.380 1039 HA ALA 140 HA ALA 140 -4.672 8.115 0.010 1040 HB1 ALA 140 HB1 ALA 140 -5.602 6.938 2.352 1041 HB2 ALA 140 HB2 ALA 140 -5.323 5.570 1.276 1042 HB3 ALA 140 HB3 ALA 140 -6.382 6.884 0.772 1043 H LYS 141 H LYS 141 -4.473 9.751 1.461 1044 HA LYS 141 HA LYS 141 -2.136 9.699 3.244 1045 HB2 LYS 141 HB2 LYS 141 -2.391 11.515 1.445 1046 HB3 LYS 141 HB3 LYS 141 -3.765 12.101 2.378 1047 HG2 LYS 141 HG2 LYS 141 -2.230 12.210 4.394 1048 HG3 LYS 141 HG3 LYS 141 -0.899 11.873 3.291 1049 HD2 LYS 141 HD2 LYS 141 -2.803 14.184 2.849 1050 HD3 LYS 141 HD3 LYS 141 -1.331 14.348 3.805 1051 HE2 LYS 141 HE2 LYS 141 -0.006 13.564 1.870 1052 HE3 LYS 141 HE3 LYS 141 -1.482 13.467 0.909 1053 HZ1 LYS 141 HZ1 LYS 141 -0.061 15.592 0.777 1054 HZ2 LYS 141 HZ2 LYS 141 -0.745 15.970 2.286 1055 HZ3 LYS 141 HZ3 LYS 141 -1.743 15.754 0.928 1056 H ALA 142 H ALA 142 -2.510 9.446 5.371 1057 HA ALA 142 HA ALA 142 -5.086 9.303 6.499 1058 HB1 ALA 142 HB1 ALA 142 -3.382 8.094 7.595 1059 HB2 ALA 142 HB2 ALA 142 -3.802 9.397 8.705 1060 HB3 ALA 142 HB3 ALA 142 -2.343 9.514 7.720 1061 H SER 143 H SER 143 -6.365 10.722 7.543 1062 HA SER 143 HA SER 143 -6.024 13.512 7.147 1063 HB2 SER 143 HB2 SER 143 -8.041 13.752 8.519 1064 HB3 SER 143 HB3 SER 143 -8.235 12.455 7.345 1065 HG SER 143 HG SER 143 -8.625 12.261 9.872 1066 H ARG 144 H ARG 144 -5.460 11.388 9.910 1067 HA ARG 144 HA ARG 144 -3.757 13.403 11.151 1068 HB2 ARG 144 HB2 ARG 144 -6.021 13.879 12.056 1069 HB3 ARG 144 HB3 ARG 144 -6.126 12.217 12.638 1070 HG2 ARG 144 HG2 ARG 144 -4.230 12.571 14.127 1071 HG3 ARG 144 HG3 ARG 144 -3.971 14.188 13.470 1072 HD2 ARG 144 HD2 ARG 144 -5.185 14.351 15.589 1073 HD3 ARG 144 HD3 ARG 144 -6.226 14.855 14.262 1074 HE ARG 144 HE ARG 144 -7.572 12.981 14.647 1075 HH11 ARG 144 HH11 ARG 144 -4.611 12.692 16.516 1076 HH12 ARG 144 HH12 ARG 144 -5.177 11.332 17.428 1077 HH21 ARG 144 HH21 ARG 144 -8.266 11.199 15.849 1078 HH22 ARG 144 HH22 ARG 144 -7.236 10.493 17.049 1079 H THR 145 H THR 145 -2.057 12.488 12.201 1080 HA THR 145 HA THR 145 -2.161 9.609 12.820 1081 HB THR 145 HB THR 145 0.239 10.883 11.485 1082 HG1 THR 145 HG1 THR 145 -1.965 9.494 10.372 1083 HG21 THR 145 HG21 THR 145 0.384 8.717 12.866 1084 HG22 THR 145 HG22 THR 145 1.005 8.656 11.217 1085 HG23 THR 145 HG23 THR 145 -0.582 7.981 11.588 1086 H GLU 146 H GLU 146 -2.569 11.343 14.770 1087 HA GLU 146 HA GLU 146 -0.323 12.433 16.081 1088 HB2 GLU 146 HB2 GLU 146 -2.680 13.045 16.559 1089 HB3 GLU 146 HB3 GLU 146 -2.922 11.462 17.303 1090 HG2 GLU 146 HG2 GLU 146 -1.174 11.960 18.970 1091 HG3 GLU 146 HG3 GLU 146 -0.892 13.531 18.221 1092 H LEU 147 H LEU 147 -1.904 9.264 16.312 1093 HA LEU 147 HA LEU 147 0.519 8.175 17.561 1094 HB2 LEU 147 HB2 LEU 147 -0.832 6.883 19.204 1095 HB3 LEU 147 HB3 LEU 147 -0.902 8.623 19.462 1096 HG LEU 147 HG LEU 147 -3.071 8.483 17.933 1097 HD11 LEU 147 HD11 LEU 147 -3.123 6.250 17.207 1098 HD12 LEU 147 HD12 LEU 147 -4.249 6.219 18.555 1099 HD13 LEU 147 HD13 LEU 147 -2.605 5.618 18.768 1100 HD21 LEU 147 HD21 LEU 147 -3.030 7.463 20.803 1101 HD22 LEU 147 HD22 LEU 147 -4.451 8.093 19.973 1102 HD23 LEU 147 HD23 LEU 147 -3.084 9.156 20.310 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 16.131 11.407 6.850 2 H2 GLY 1 HT2 GLY 1 15.574 10.284 5.702 3 H3 GLY 1 HT3 GLY 1 15.027 10.204 7.310 4 HA2 GLY 1 HA2 GLY 1 14.300 12.687 6.728 5 HA3 GLY 1 HA3 GLY 1 14.181 11.938 5.134 6 H SER 2 H SER 2 12.883 9.990 4.926 7 HA SER 2 HA SER 2 10.341 10.216 6.150 8 HB2 SER 2 HB2 SER 2 9.778 8.173 4.943 9 HB3 SER 2 HB3 SER 2 10.694 9.259 3.906 10 HG SER 2 HG SER 2 11.249 6.772 4.495 11 H LYS 3 H LYS 3 13.209 8.479 7.092 12 HA LYS 3 HA LYS 3 13.695 7.065 8.830 13 HB2 LYS 3 HB2 LYS 3 11.236 8.281 10.135 14 HB3 LYS 3 HB3 LYS 3 12.576 7.482 10.955 15 HG2 LYS 3 HG2 LYS 3 13.083 9.909 9.210 16 HG3 LYS 3 HG3 LYS 3 12.511 10.105 10.858 17 HD2 LYS 3 HD2 LYS 3 14.739 10.071 11.396 18 HD3 LYS 3 HD3 LYS 3 14.554 8.325 11.318 19 HE2 LYS 3 HE2 LYS 3 15.111 8.609 8.782 20 HE3 LYS 3 HE3 LYS 3 15.715 10.196 9.254 21 HZ1 LYS 3 HZ1 LYS 3 16.599 7.579 10.347 22 HZ2 LYS 3 HZ2 LYS 3 17.131 9.094 10.905 23 HZ3 LYS 3 HZ3 LYS 3 17.490 8.593 9.321 24 H GLY 4 H GLY 4 12.508 5.431 10.468 25 HA2 GLY 4 HA2 GLY 4 10.833 3.765 10.761 26 HA3 GLY 4 HA3 GLY 4 10.312 4.032 9.101 27 H THR 5 H THR 5 12.654 2.456 11.167 28 HA THR 5 HA THR 5 14.292 1.287 9.177 29 HB THR 5 HB THR 5 13.653 0.284 11.980 30 HG1 THR 5 HG1 THR 5 15.723 1.933 10.956 31 HG21 THR 5 HG21 THR 5 16.079 -0.274 10.250 32 HG22 THR 5 HG22 THR 5 14.722 -1.387 10.410 33 HG23 THR 5 HG23 THR 5 15.705 -0.987 11.819 34 H VAL 6 H VAL 6 11.394 0.163 10.891 35 HA VAL 6 HA VAL 6 10.875 -1.703 8.686 36 HB VAL 6 HB VAL 6 10.090 -3.429 10.292 37 HG11 VAL 6 HG11 VAL 6 12.956 -2.503 10.612 38 HG12 VAL 6 HG12 VAL 6 12.341 -3.612 9.387 39 HG13 VAL 6 HG13 VAL 6 12.367 -4.096 11.084 40 HG21 VAL 6 HG21 VAL 6 10.390 -3.222 12.640 41 HG22 VAL 6 HG22 VAL 6 9.782 -1.637 12.167 42 HG23 VAL 6 HG23 VAL 6 11.501 -1.862 12.475 43 H SER 7 H SER 7 8.652 -2.213 8.344 44 HA SER 7 HA SER 7 6.830 -0.154 9.423 45 HB2 SER 7 HB2 SER 7 6.672 -1.761 6.872 46 HB3 SER 7 HB3 SER 7 5.444 -0.630 7.422 47 HG SER 7 HG SER 7 6.975 1.014 7.306 48 H GLU 8 H GLU 8 7.483 -3.457 9.772 49 HA GLU 8 HA GLU 8 6.285 -5.283 10.488 50 HB2 GLU 8 HB2 GLU 8 4.935 -3.083 12.089 51 HB3 GLU 8 HB3 GLU 8 4.754 -4.807 12.419 52 HG2 GLU 8 HG2 GLU 8 6.491 -4.320 13.866 53 HG3 GLU 8 HG3 GLU 8 7.430 -4.741 12.444 54 HA PRO 9 HA PRO 9 2.584 -4.196 7.652 55 HB2 PRO 9 HB2 PRO 9 3.241 -5.686 5.490 56 HB3 PRO 9 HB3 PRO 9 3.843 -4.029 5.724 57 HG2 PRO 9 HG2 PRO 9 5.212 -6.626 6.271 58 HG3 PRO 9 HG3 PRO 9 5.837 -5.170 5.473 59 HD2 PRO 9 HD2 PRO 9 6.395 -5.719 8.066 60 HD3 PRO 9 HD3 PRO 9 6.202 -4.049 7.476 61 H THR 10 H THR 10 0.785 -5.520 7.237 62 HA THR 10 HA THR 10 0.962 -8.272 8.297 63 HB THR 10 HB THR 10 -1.407 -6.376 8.212 64 HG1 THR 10 HG1 THR 10 -0.961 -5.995 10.271 65 HG21 THR 10 HG21 THR 10 -1.163 -9.059 9.605 66 HG22 THR 10 HG22 THR 10 -1.947 -8.846 8.041 67 HG23 THR 10 HG23 THR 10 -2.606 -8.054 9.474 68 H THR 11 H THR 11 0.492 -9.908 6.959 69 HA THR 11 HA THR 11 -0.576 -9.285 4.280 70 HB THR 11 HB THR 11 1.056 -11.680 5.200 71 HG1 THR 11 HG1 THR 11 2.255 -9.762 5.121 72 HG21 THR 11 HG21 THR 11 1.244 -12.188 2.797 73 HG22 THR 11 HG22 THR 11 0.213 -10.808 2.415 74 HG23 THR 11 HG23 THR 11 -0.448 -12.185 3.296 75 H VAL 12 H VAL 12 -2.544 -9.981 3.740 76 HA VAL 12 HA VAL 12 -3.740 -12.201 5.274 77 HB VAL 12 HB VAL 12 -5.131 -9.613 4.493 78 HG11 VAL 12 HG11 VAL 12 -6.156 -12.108 5.889 79 HG12 VAL 12 HG12 VAL 12 -6.709 -11.454 4.348 80 HG13 VAL 12 HG13 VAL 12 -7.031 -10.576 5.844 81 HG21 VAL 12 HG21 VAL 12 -4.199 -10.753 7.143 82 HG22 VAL 12 HG22 VAL 12 -5.379 -9.448 7.032 83 HG23 VAL 12 HG23 VAL 12 -3.744 -9.213 6.416 84 H ALA 13 H ALA 13 -4.731 -13.732 4.105 85 HA ALA 13 HA ALA 13 -5.027 -13.299 1.201 86 HB1 ALA 13 HB1 ALA 13 -4.714 -15.628 0.874 87 HB2 ALA 13 HB2 ALA 13 -4.991 -15.986 2.579 88 HB3 ALA 13 HB3 ALA 13 -3.506 -15.176 2.077 89 H PHE 14 H PHE 14 -7.000 -13.926 0.172 90 HA PHE 14 HA PHE 14 -9.198 -14.764 1.915 91 HB2 PHE 14 HB2 PHE 14 -10.655 -12.923 1.272 92 HB3 PHE 14 HB3 PHE 14 -9.193 -12.285 2.014 93 HD1 PHE 14 HD1 PHE 14 -11.179 -12.515 -1.048 94 HD2 PHE 14 HD2 PHE 14 -7.415 -11.243 0.588 95 HE1 PHE 14 HE1 PHE 14 -10.754 -11.159 -3.080 96 HE2 PHE 14 HE2 PHE 14 -6.993 -9.886 -1.447 97 HZ PHE 14 HZ PHE 14 -8.659 -9.841 -3.279 98 H ASP 15 H ASP 15 -11.152 -15.349 0.763 99 HA ASP 15 HA ASP 15 -10.511 -16.546 -1.847 100 HB2 ASP 15 HB2 ASP 15 -12.754 -17.181 0.088 101 HB3 ASP 15 HB3 ASP 15 -12.398 -18.041 -1.409 102 H VAL 16 H VAL 16 -11.437 -15.822 -3.650 103 HA VAL 16 HA VAL 16 -13.670 -13.911 -3.437 104 HB VAL 16 HB VAL 16 -11.704 -13.203 -4.785 105 HG11 VAL 16 HG11 VAL 16 -11.004 -14.312 -6.757 106 HG12 VAL 16 HG12 VAL 16 -12.422 -15.357 -6.773 107 HG13 VAL 16 HG13 VAL 16 -11.171 -15.589 -5.552 108 HG21 VAL 16 HG21 VAL 16 -13.739 -12.193 -5.454 109 HG22 VAL 16 HG22 VAL 16 -14.336 -13.675 -6.196 110 HG23 VAL 16 HG23 VAL 16 -13.032 -12.767 -6.962 111 H ARG 17 H ARG 17 -15.570 -14.873 -3.367 112 HA ARG 17 HA ARG 17 -15.984 -17.344 -4.896 113 HB2 ARG 17 HB2 ARG 17 -17.464 -16.225 -2.512 114 HB3 ARG 17 HB3 ARG 17 -17.912 -17.710 -3.356 115 HG2 ARG 17 HG2 ARG 17 -15.763 -18.727 -2.852 116 HG3 ARG 17 HG3 ARG 17 -15.157 -17.214 -2.176 117 HD2 ARG 17 HD2 ARG 17 -15.817 -18.787 -0.401 118 HD3 ARG 17 HD3 ARG 17 -16.808 -17.332 -0.368 119 HE ARG 17 HE ARG 17 -18.660 -18.641 -0.962 120 HH11 ARG 17 HH11 ARG 17 -15.730 -20.531 -1.390 121 HH12 ARG 17 HH12 ARG 17 -16.581 -22.018 -1.637 122 HH21 ARG 17 HH21 ARG 17 -19.730 -20.605 -1.274 123 HH22 ARG 17 HH22 ARG 17 -18.835 -22.059 -1.571 124 HA PRO 18 HA PRO 18 -18.509 -14.582 -7.559 125 HB2 PRO 18 HB2 PRO 18 -18.847 -16.229 -9.636 126 HB3 PRO 18 HB3 PRO 18 -17.297 -15.421 -9.333 127 HG2 PRO 18 HG2 PRO 18 -18.128 -18.214 -8.682 128 HG3 PRO 18 HG3 PRO 18 -16.616 -17.632 -9.410 129 HD2 PRO 18 HD2 PRO 18 -16.810 -18.250 -6.771 130 HD3 PRO 18 HD3 PRO 18 -15.725 -16.971 -7.373 131 H GLY 19 H GLY 19 -20.630 -14.862 -8.773 132 HA2 GLY 19 HA2 GLY 19 -22.573 -16.587 -8.846 133 HA3 GLY 19 HA3 GLY 19 -22.508 -16.397 -7.096 134 H GLY 20 H GLY 20 -21.742 -13.503 -8.788 135 HA2 GLY 20 HA2 GLY 20 -22.887 -11.559 -9.243 136 HA3 GLY 20 HA3 GLY 20 -24.373 -12.502 -9.251 137 H VAL 21 H VAL 21 -22.251 -12.554 -6.474 138 HA VAL 21 HA VAL 21 -24.246 -11.012 -4.929 139 HB VAL 21 HB VAL 21 -22.308 -13.141 -3.959 140 HG11 VAL 21 HG11 VAL 21 -23.584 -12.986 -1.829 141 HG12 VAL 21 HG12 VAL 21 -24.503 -11.637 -2.497 142 HG13 VAL 21 HG13 VAL 21 -22.767 -11.471 -2.223 143 HG21 VAL 21 HG21 VAL 21 -24.236 -13.986 -5.350 144 HG22 VAL 21 HG22 VAL 21 -25.337 -13.252 -4.184 145 HG23 VAL 21 HG23 VAL 21 -24.269 -14.563 -3.684 146 H VAL 22 H VAL 22 -23.649 -9.173 -4.072 147 HA VAL 22 HA VAL 22 -20.987 -8.137 -4.470 148 HB VAL 22 HB VAL 22 -23.351 -6.958 -2.959 149 HG11 VAL 22 HG11 VAL 22 -22.118 -4.781 -3.397 150 HG12 VAL 22 HG12 VAL 22 -20.725 -5.749 -3.876 151 HG13 VAL 22 HG13 VAL 22 -21.340 -5.847 -2.227 152 HG21 VAL 22 HG21 VAL 22 -23.745 -7.386 -5.402 153 HG22 VAL 22 HG22 VAL 22 -22.349 -6.372 -5.767 154 HG23 VAL 22 HG23 VAL 22 -23.770 -5.672 -4.991 155 H HIS 23 H HIS 23 -19.346 -8.521 -3.202 156 HA HIS 23 HA HIS 23 -19.835 -9.175 -0.352 157 HB2 HIS 23 HB2 HIS 23 -17.555 -10.074 -2.129 158 HB3 HIS 23 HB3 HIS 23 -17.724 -10.446 -0.414 159 HD2 HIS 23 HD2 HIS 23 -18.697 -11.997 -3.727 160 HE1 HIS 23 HE1 HIS 23 -21.394 -13.627 -0.918 161 HE2 HIS 23 HE2 HIS 23 -20.501 -13.834 -3.284 162 H SER 24 H SER 24 -18.785 -8.118 1.178 163 HA SER 24 HA SER 24 -16.926 -5.966 0.359 164 HB2 SER 24 HB2 SER 24 -18.838 -6.077 2.698 165 HB3 SER 24 HB3 SER 24 -17.653 -4.800 2.432 166 HG SER 24 HG SER 24 -19.002 -3.964 1.053 167 H PHE 25 H PHE 25 -14.931 -6.101 1.067 168 HA PHE 25 HA PHE 25 -14.347 -7.693 3.490 169 HB2 PHE 25 HB2 PHE 25 -13.704 -8.923 1.380 170 HB3 PHE 25 HB3 PHE 25 -12.564 -7.617 1.038 171 HD1 PHE 25 HD1 PHE 25 -13.357 -10.437 3.280 172 HD2 PHE 25 HD2 PHE 25 -10.574 -7.279 2.423 173 HE1 PHE 25 HE1 PHE 25 -11.714 -11.465 4.825 174 HE2 PHE 25 HE2 PHE 25 -8.931 -8.311 3.968 175 HZ PHE 25 HZ PHE 25 -9.501 -10.404 5.168 176 H SER 26 H SER 26 -13.009 -6.750 4.929 177 HA SER 26 HA SER 26 -11.480 -4.381 4.134 178 HB2 SER 26 HB2 SER 26 -12.432 -2.994 5.844 179 HB3 SER 26 HB3 SER 26 -13.742 -3.658 4.872 180 HG SER 26 HG SER 26 -13.903 -5.326 6.506 181 H HIS 27 H HIS 27 -10.076 -3.596 5.898 182 HA HIS 27 HA HIS 27 -9.345 -5.605 7.905 183 HB2 HIS 27 HB2 HIS 27 -8.028 -6.034 5.794 184 HB3 HIS 27 HB3 HIS 27 -7.295 -4.444 6.013 185 HD2 HIS 27 HD2 HIS 27 -6.913 -8.049 7.385 186 HE1 HIS 27 HE1 HIS 27 -4.313 -5.583 9.622 187 HE2 HIS 27 HE2 HIS 27 -4.965 -7.985 9.124 188 H ASN 28 H ASN 28 -8.357 -4.788 9.682 189 HA ASN 28 HA ASN 28 -7.816 -1.898 9.806 190 HB2 ASN 28 HB2 ASN 28 -10.143 -2.512 10.650 191 HB3 ASN 28 HB3 ASN 28 -9.331 -3.365 11.964 192 HD21 ASN 28 HD21 ASN 28 -9.924 -1.921 13.670 193 HD22 ASN 28 HD22 ASN 28 -9.406 -0.305 13.727 194 H VAL 29 H VAL 29 -6.522 -1.286 11.663 195 HA VAL 29 HA VAL 29 -4.874 -3.494 12.747 196 HB VAL 29 HB VAL 29 -2.914 -1.965 12.645 197 HG11 VAL 29 HG11 VAL 29 -2.552 -2.186 10.228 198 HG12 VAL 29 HG12 VAL 29 -4.283 -2.420 9.978 199 HG13 VAL 29 HG13 VAL 29 -3.349 -3.627 10.862 200 HG21 VAL 29 HG21 VAL 29 -4.468 -0.188 10.742 201 HG22 VAL 29 HG22 VAL 29 -2.994 0.166 11.639 202 HG23 VAL 29 HG23 VAL 29 -4.543 0.124 12.474 203 H GLY 30 H GLY 30 -3.968 -3.150 14.837 204 HA2 GLY 30 HA2 GLY 30 -5.760 -2.064 16.688 205 HA3 GLY 30 HA3 GLY 30 -4.101 -2.533 17.052 206 HA PRO 31 HA PRO 31 -2.627 1.734 17.227 207 HB2 PRO 31 HB2 PRO 31 -1.465 1.763 14.478 208 HB3 PRO 31 HB3 PRO 31 -0.700 2.119 16.044 209 HG2 PRO 31 HG2 PRO 31 -0.149 -0.130 14.818 210 HG3 PRO 31 HG3 PRO 31 -0.424 -0.117 16.574 211 HD2 PRO 31 HD2 PRO 31 -2.315 -0.973 14.393 212 HD3 PRO 31 HD3 PRO 31 -1.972 -1.756 15.959 213 H GLY 32 H GLY 32 -3.760 1.058 13.939 214 HA2 GLY 32 HA2 GLY 32 -5.010 3.696 13.675 215 HA3 GLY 32 HA3 GLY 32 -4.831 2.493 12.398 216 H ASP 33 H ASP 33 -6.569 3.108 15.456 217 HA ASP 33 HA ASP 33 -8.496 1.064 15.174 218 HB2 ASP 33 HB2 ASP 33 -8.556 3.686 16.675 219 HB3 ASP 33 HB3 ASP 33 -9.871 2.514 16.747 220 H LYS 34 H LYS 34 -8.404 4.380 13.973 221 HA LYS 34 HA LYS 34 -11.083 4.074 12.797 222 HB2 LYS 34 HB2 LYS 34 -9.319 6.500 13.132 223 HB3 LYS 34 HB3 LYS 34 -10.899 6.513 12.338 224 HG2 LYS 34 HG2 LYS 34 -11.931 5.626 14.383 225 HG3 LYS 34 HG3 LYS 34 -10.363 5.642 15.189 226 HD2 LYS 34 HD2 LYS 34 -10.205 8.080 14.863 227 HD3 LYS 34 HD3 LYS 34 -11.786 8.078 14.072 228 HE2 LYS 34 HE2 LYS 34 -12.825 7.207 16.128 229 HE3 LYS 34 HE3 LYS 34 -11.251 7.194 16.924 230 HZ1 LYS 34 HZ1 LYS 34 -11.111 9.532 16.787 231 HZ2 LYS 34 HZ2 LYS 34 -12.669 9.188 17.372 232 HZ3 LYS 34 HZ3 LYS 34 -12.446 9.637 15.748 233 H TYR 35 H TYR 35 -7.941 3.535 11.829 234 HA TYR 35 HA TYR 35 -8.316 4.457 9.056 235 HB2 TYR 35 HB2 TYR 35 -5.911 3.208 10.416 236 HB3 TYR 35 HB3 TYR 35 -5.948 3.799 8.755 237 HD1 TYR 35 HD1 TYR 35 -5.928 4.738 12.304 238 HD2 TYR 35 HD2 TYR 35 -6.112 6.204 8.275 239 HE1 TYR 35 HE1 TYR 35 -5.434 7.027 13.119 240 HE2 TYR 35 HE2 TYR 35 -5.618 8.494 9.086 241 HH TYR 35 HH TYR 35 -5.785 9.797 11.133 242 H THR 36 H THR 36 -9.268 3.121 7.645 243 HA THR 36 HA THR 36 -8.686 0.222 7.810 244 HB THR 36 HB THR 36 -11.028 -0.324 7.396 245 HG1 THR 36 HG1 THR 36 -12.320 1.162 6.724 246 HG21 THR 36 HG21 THR 36 -10.129 0.105 9.767 247 HG22 THR 36 HG22 THR 36 -11.882 0.112 9.554 248 HG23 THR 36 HG23 THR 36 -11.002 1.636 9.679 249 H CYS 37 H CYS 37 -9.139 -0.968 5.883 250 HA CYS 37 HA CYS 37 -9.356 0.651 3.427 251 HB2 CYS 37 HB2 CYS 37 -7.556 -1.759 3.845 252 HB3 CYS 37 HB3 CYS 37 -7.940 -1.083 2.260 253 H MET 38 H MET 38 -10.938 0.059 2.084 254 HA MET 38 HA MET 38 -12.317 -2.506 2.618 255 HB2 MET 38 HB2 MET 38 -13.515 0.163 1.901 256 HB3 MET 38 HB3 MET 38 -14.410 -1.355 1.943 257 HG2 MET 38 HG2 MET 38 -13.788 -1.675 4.289 258 HG3 MET 38 HG3 MET 38 -12.905 -0.149 4.275 259 HE1 MET 38 HE1 MET 38 -14.774 -1.020 6.240 260 HE2 MET 38 HE2 MET 38 -16.306 -0.165 6.369 261 HE3 MET 38 HE3 MET 38 -14.799 0.728 6.522 262 H PHE 39 H PHE 39 -13.150 -3.656 0.982 263 HA PHE 39 HA PHE 39 -12.754 -2.710 -1.763 264 HB2 PHE 39 HB2 PHE 39 -10.735 -4.021 -1.201 265 HB3 PHE 39 HB3 PHE 39 -11.744 -5.389 -0.743 266 HD1 PHE 39 HD1 PHE 39 -11.220 -3.047 -3.642 267 HD2 PHE 39 HD2 PHE 39 -12.163 -7.041 -2.371 268 HE1 PHE 39 HE1 PHE 39 -11.266 -3.796 -6.006 269 HE2 PHE 39 HE2 PHE 39 -12.204 -7.783 -4.737 270 HZ PHE 39 HZ PHE 39 -11.754 -6.157 -6.554 271 H THR 40 H THR 40 -14.752 -2.738 -2.562 272 HA THR 40 HA THR 40 -16.570 -5.000 -1.937 273 HB THR 40 HB THR 40 -17.242 -2.208 -2.956 274 HG1 THR 40 HG1 THR 40 -18.133 -2.031 -0.832 275 HG21 THR 40 HG21 THR 40 -19.592 -2.983 -2.241 276 HG22 THR 40 HG22 THR 40 -18.935 -4.619 -2.269 277 HG23 THR 40 HG23 THR 40 -18.956 -3.652 -3.744 278 H TYR 41 H TYR 41 -17.138 -6.380 -3.571 279 HA TYR 41 HA TYR 41 -16.819 -5.541 -6.365 280 HB2 TYR 41 HB2 TYR 41 -15.335 -7.417 -6.911 281 HB3 TYR 41 HB3 TYR 41 -14.591 -6.357 -5.714 282 HD1 TYR 41 HD1 TYR 41 -16.080 -9.664 -6.325 283 HD2 TYR 41 HD2 TYR 41 -14.390 -7.069 -3.347 284 HE1 TYR 41 HE1 TYR 41 -15.878 -11.583 -4.767 285 HE2 TYR 41 HE2 TYR 41 -14.183 -8.990 -1.791 286 HH TYR 41 HH TYR 41 -14.546 -12.222 -2.801 287 H ALA 42 H ALA 42 -17.572 -7.102 -7.932 288 HA ALA 42 HA ALA 42 -19.410 -9.183 -6.948 289 HB1 ALA 42 HB1 ALA 42 -20.824 -8.426 -9.060 290 HB2 ALA 42 HB2 ALA 42 -20.050 -6.872 -8.745 291 HB3 ALA 42 HB3 ALA 42 -21.043 -7.630 -7.502 292 H SER 43 H SER 43 -19.159 -11.107 -8.048 293 HA SER 43 HA SER 43 -17.670 -11.043 -10.598 294 HB2 SER 43 HB2 SER 43 -17.043 -12.840 -8.257 295 HB3 SER 43 HB3 SER 43 -16.280 -12.899 -9.847 296 HG SER 43 HG SER 43 -16.242 -10.798 -7.937 297 H GLN 44 H GLN 44 -17.796 -12.920 -11.894 298 HA GLN 44 HA GLN 44 -20.080 -14.701 -11.344 299 HB2 GLN 44 HB2 GLN 44 -20.756 -13.055 -13.039 300 HB3 GLN 44 HB3 GLN 44 -19.355 -13.466 -14.022 301 HG2 GLN 44 HG2 GLN 44 -20.166 -15.670 -14.436 302 HG3 GLN 44 HG3 GLN 44 -21.421 -15.511 -13.215 303 HE21 GLN 44 HE21 GLN 44 -23.228 -15.778 -14.680 304 HE22 GLN 44 HE22 GLN 44 -23.582 -14.659 -15.906 305 H GLY 45 H GLY 45 -19.652 -16.797 -11.483 306 HA2 GLY 45 HA2 GLY 45 -18.149 -18.246 -13.235 307 HA3 GLY 45 HA3 GLY 45 -16.988 -17.744 -12.002 308 H GLY 46 H GLY 46 -17.168 -20.332 -12.065 309 HA2 GLY 46 HA2 GLY 46 -19.098 -21.127 -9.955 310 HA3 GLY 46 HA3 GLY 46 -18.539 -22.210 -11.223 311 H THR 47 H THR 47 -15.862 -20.447 -10.395 312 HA THR 47 HA THR 47 -15.081 -22.235 -8.169 313 HB THR 47 HB THR 47 -13.350 -21.602 -10.583 314 HG1 THR 47 HG1 THR 47 -14.055 -23.417 -11.369 315 HG21 THR 47 HG21 THR 47 -12.837 -23.611 -8.377 316 HG22 THR 47 HG22 THR 47 -12.222 -21.960 -8.308 317 HG23 THR 47 HG23 THR 47 -11.711 -23.038 -9.608 318 H ASN 48 H ASN 48 -14.084 -21.243 -6.517 319 HA ASN 48 HA ASN 48 -13.735 -18.389 -6.649 320 HB2 ASN 48 HB2 ASN 48 -13.323 -18.491 -4.264 321 HB3 ASN 48 HB3 ASN 48 -14.700 -19.524 -4.644 322 HD21 ASN 48 HD21 ASN 48 -13.163 -19.922 -2.261 323 HD22 ASN 48 HD22 ASN 48 -12.339 -21.400 -2.388 324 H GLU 49 H GLU 49 -11.638 -17.584 -5.336 325 HA GLU 49 HA GLU 49 -9.242 -19.016 -6.166 326 HB2 GLU 49 HB2 GLU 49 -9.998 -17.508 -8.058 327 HB3 GLU 49 HB3 GLU 49 -9.632 -16.147 -7.002 328 HG2 GLU 49 HG2 GLU 49 -7.720 -16.581 -8.406 329 HG3 GLU 49 HG3 GLU 49 -7.319 -17.008 -6.742 330 H GLN 50 H GLN 50 -7.361 -18.348 -5.133 331 HA GLN 50 HA GLN 50 -7.817 -16.853 -2.638 332 HB2 GLN 50 HB2 GLN 50 -5.619 -18.768 -3.443 333 HB3 GLN 50 HB3 GLN 50 -5.670 -17.894 -1.910 334 HG2 GLN 50 HG2 GLN 50 -7.827 -18.928 -1.367 335 HG3 GLN 50 HG3 GLN 50 -7.819 -19.786 -2.909 336 HE21 GLN 50 HE21 GLN 50 -7.612 -21.943 -2.111 337 HE22 GLN 50 HE22 GLN 50 -6.278 -22.475 -1.206 338 H TRP 51 H TRP 51 -7.182 -14.855 -2.531 339 HA TRP 51 HA TRP 51 -4.956 -13.881 -4.219 340 HB2 TRP 51 HB2 TRP 51 -7.418 -12.482 -3.189 341 HB3 TRP 51 HB3 TRP 51 -6.045 -11.613 -3.863 342 HD1 TRP 51 HD1 TRP 51 -8.270 -14.612 -4.951 343 HE1 TRP 51 HE1 TRP 51 -8.738 -14.367 -7.479 344 HE3 TRP 51 HE3 TRP 51 -5.622 -10.353 -5.936 345 HZ2 TRP 51 HZ2 TRP 51 -8.084 -12.594 -9.628 346 HZ3 TRP 51 HZ3 TRP 51 -5.567 -9.405 -8.229 347 HH2 TRP 51 HH2 TRP 51 -6.792 -10.518 -10.075 348 H GLN 52 H GLN 52 -3.384 -12.578 -3.306 349 HA GLN 52 HA GLN 52 -3.219 -12.678 -0.357 350 HB2 GLN 52 HB2 GLN 52 -1.021 -12.128 -2.380 351 HB3 GLN 52 HB3 GLN 52 -0.817 -12.276 -0.640 352 HG2 GLN 52 HG2 GLN 52 -1.871 -14.485 -2.437 353 HG3 GLN 52 HG3 GLN 52 -0.225 -14.390 -1.822 354 HE21 GLN 52 HE21 GLN 52 -0.286 -13.999 0.782 355 HE22 GLN 52 HE22 GLN 52 -1.328 -15.056 1.607 356 H MET 53 H MET 53 -2.785 -10.852 0.865 357 HA MET 53 HA MET 53 -2.908 -8.250 -0.525 358 HB2 MET 53 HB2 MET 53 -4.403 -8.993 2.006 359 HB3 MET 53 HB3 MET 53 -4.337 -7.386 1.282 360 HG2 MET 53 HG2 MET 53 -5.332 -8.329 -0.806 361 HG3 MET 53 HG3 MET 53 -5.509 -9.875 0.016 362 HE1 MET 53 HE1 MET 53 -6.919 -8.946 3.185 363 HE2 MET 53 HE2 MET 53 -6.392 -10.232 2.107 364 HE3 MET 53 HE3 MET 53 -8.104 -9.887 2.273 365 H SER 54 H SER 54 -1.826 -6.551 0.481 366 HA SER 54 HA SER 54 -0.168 -7.252 2.818 367 HB2 SER 54 HB2 SER 54 1.714 -5.995 1.837 368 HB3 SER 54 HB3 SER 54 1.288 -7.408 0.882 369 HG SER 54 HG SER 54 1.534 -5.600 -0.455 370 H LEU 55 H LEU 55 0.074 -5.726 4.289 371 HA LEU 55 HA LEU 55 -1.146 -3.069 3.826 372 HB2 LEU 55 HB2 LEU 55 -1.481 -4.801 6.297 373 HB3 LEU 55 HB3 LEU 55 -2.170 -3.197 6.047 374 HG LEU 55 HG LEU 55 -2.787 -5.592 4.280 375 HD11 LEU 55 HD11 LEU 55 -3.547 -5.790 6.692 376 HD12 LEU 55 HD12 LEU 55 -4.838 -5.846 5.490 377 HD13 LEU 55 HD13 LEU 55 -4.544 -4.365 6.404 378 HD21 LEU 55 HD21 LEU 55 -4.122 -2.889 4.603 379 HD22 LEU 55 HD22 LEU 55 -4.681 -4.171 3.530 380 HD23 LEU 55 HD23 LEU 55 -3.136 -3.376 3.224 381 H GLY 56 H GLY 56 -0.042 -1.368 4.727 382 HA2 GLY 56 HA2 GLY 56 1.953 -1.836 6.798 383 HA3 GLY 56 HA3 GLY 56 2.618 -1.346 5.244 384 H THR 57 H THR 57 2.607 0.011 7.875 385 HA THR 57 HA THR 57 1.501 2.588 6.990 386 HB THR 57 HB THR 57 0.765 3.080 9.285 387 HG1 THR 57 HG1 THR 57 1.419 1.854 10.832 388 HG21 THR 57 HG21 THR 57 -0.394 0.443 8.353 389 HG22 THR 57 HG22 THR 57 -0.788 2.001 7.625 390 HG23 THR 57 HG23 THR 57 -1.206 1.684 9.309 391 H SER 58 H SER 58 2.518 4.426 8.027 392 HA SER 58 HA SER 58 5.362 4.174 8.219 393 HB2 SER 58 HB2 SER 58 4.379 6.213 7.331 394 HB3 SER 58 HB3 SER 58 3.509 6.484 8.841 395 HG SER 58 HG SER 58 6.272 6.641 8.283 396 H GLU 59 H GLU 59 6.691 4.570 10.065 397 HA GLU 59 HA GLU 59 5.865 3.306 12.437 398 HB2 GLU 59 HB2 GLU 59 7.958 4.132 13.429 399 HB3 GLU 59 HB3 GLU 59 8.240 3.526 11.800 400 HG2 GLU 59 HG2 GLU 59 8.153 5.842 10.918 401 HG3 GLU 59 HG3 GLU 59 7.873 6.449 12.550 402 H ASP 60 H ASP 60 5.497 6.591 11.385 403 HA ASP 60 HA ASP 60 4.604 7.500 14.040 404 HB2 ASP 60 HB2 ASP 60 5.010 9.061 11.479 405 HB3 ASP 60 HB3 ASP 60 4.553 9.746 13.041 406 H HIS 61 H HIS 61 3.260 5.914 11.474 407 HA HIS 61 HA HIS 61 1.127 5.473 10.786 408 HB2 HIS 61 HB2 HIS 61 0.216 7.231 13.099 409 HB3 HIS 61 HB3 HIS 61 -0.744 6.028 12.241 410 HD2 HIS 61 HD2 HIS 61 2.193 3.930 12.557 411 HE1 HIS 61 HE1 HIS 61 0.709 3.829 16.508 412 HE2 HIS 61 HE2 HIS 61 2.277 2.705 14.862 413 H GLN 62 H GLN 62 2.659 7.906 9.917 414 HA GLN 62 HA GLN 62 0.676 9.924 9.353 415 HB2 GLN 62 HB2 GLN 62 2.494 11.038 8.085 416 HB3 GLN 62 HB3 GLN 62 2.966 10.644 9.739 417 HG2 GLN 62 HG2 GLN 62 4.193 8.709 9.003 418 HG3 GLN 62 HG3 GLN 62 3.586 8.888 7.362 419 HE21 GLN 62 HE21 GLN 62 6.347 9.341 9.062 420 HE22 GLN 62 HE22 GLN 62 6.987 10.692 8.259 421 H HIS 63 H HIS 63 2.000 7.139 7.689 422 HA HIS 63 HA HIS 63 0.245 7.754 5.391 423 HB2 HIS 63 HB2 HIS 63 2.987 6.480 5.270 424 HB3 HIS 63 HB3 HIS 63 1.865 6.588 3.911 425 HD2 HIS 63 HD2 HIS 63 4.668 8.674 5.396 426 HE1 HIS 63 HE1 HIS 63 2.309 11.351 3.147 427 HE2 HIS 63 HE2 HIS 63 4.538 11.051 4.328 428 H PHE 64 H PHE 64 -1.107 6.220 4.738 429 HA PHE 64 HA PHE 64 -0.844 3.492 5.858 430 HB2 PHE 64 HB2 PHE 64 -3.344 5.126 5.381 431 HB3 PHE 64 HB3 PHE 64 -3.356 3.400 5.748 432 HD1 PHE 64 HD1 PHE 64 -2.467 6.760 7.054 433 HD2 PHE 64 HD2 PHE 64 -2.924 2.589 7.968 434 HE1 PHE 64 HE1 PHE 64 -2.305 7.267 9.481 435 HE2 PHE 64 HE2 PHE 64 -2.760 3.098 10.386 436 HZ PHE 64 HZ PHE 64 -2.451 5.439 11.143 437 H THR 65 H THR 65 -0.657 1.919 4.356 438 HA THR 65 HA THR 65 -1.733 2.433 1.649 439 HB THR 65 HB THR 65 0.229 1.271 0.698 440 HG1 THR 65 HG1 THR 65 1.720 0.456 1.957 441 HG21 THR 65 HG21 THR 65 1.083 3.566 2.472 442 HG22 THR 65 HG22 THR 65 0.132 3.776 1.003 443 HG23 THR 65 HG23 THR 65 1.762 3.109 0.911 444 H CYS 66 H CYS 66 -2.734 0.805 0.654 445 HA CYS 66 HA CYS 66 -2.673 -1.892 1.847 446 HB2 CYS 66 HB2 CYS 66 -5.179 -0.411 1.000 447 HB3 CYS 66 HB3 CYS 66 -5.100 -2.114 1.470 448 H THR 67 H THR 67 -2.380 -3.490 0.389 449 HA THR 67 HA THR 67 -2.905 -2.885 -2.468 450 HB THR 67 HB THR 67 -0.450 -4.284 -1.386 451 HG1 THR 67 HG1 THR 67 -0.441 -2.041 -1.015 452 HG21 THR 67 HG21 THR 67 -0.808 -3.260 -4.195 453 HG22 THR 67 HG22 THR 67 -1.427 -4.853 -3.768 454 HG23 THR 67 HG23 THR 67 0.292 -4.503 -3.607 455 H ILE 68 H ILE 68 -3.935 -4.422 -3.591 456 HA ILE 68 HA ILE 68 -4.155 -7.153 -2.434 457 HB ILE 68 HB ILE 68 -6.375 -5.609 -3.843 458 HG12 ILE 68 HG12 ILE 68 -6.256 -6.474 -0.927 459 HG13 ILE 68 HG13 ILE 68 -5.746 -4.874 -1.459 460 HG21 ILE 68 HG21 ILE 68 -6.763 -7.892 -4.308 461 HG22 ILE 68 HG22 ILE 68 -7.720 -7.625 -2.855 462 HG23 ILE 68 HG23 ILE 68 -6.151 -8.419 -2.742 463 HD11 ILE 68 HD11 ILE 68 -8.127 -4.947 -0.658 464 HD12 ILE 68 HD12 ILE 68 -8.496 -6.041 -1.991 465 HD13 ILE 68 HD13 ILE 68 -7.963 -4.394 -2.324 466 H TRP 69 H TRP 69 -3.458 -8.727 -3.821 467 HA TRP 69 HA TRP 69 -3.979 -8.522 -6.669 468 HB2 TRP 69 HB2 TRP 69 -1.706 -8.574 -7.480 469 HB3 TRP 69 HB3 TRP 69 -1.831 -7.220 -6.367 470 HD1 TRP 69 HD1 TRP 69 -0.036 -10.471 -6.913 471 HE1 TRP 69 HE1 TRP 69 1.643 -10.870 -4.999 472 HE3 TRP 69 HE3 TRP 69 -1.482 -6.790 -3.734 473 HZ2 TRP 69 HZ2 TRP 69 2.280 -9.773 -2.450 474 HZ3 TRP 69 HZ3 TRP 69 -0.326 -6.480 -1.546 475 HH2 TRP 69 HH2 TRP 69 1.555 -7.981 -0.913 476 H ARG 70 H ARG 70 -3.209 -10.432 -7.895 477 HA ARG 70 HA ARG 70 -3.573 -12.891 -6.365 478 HB2 ARG 70 HB2 ARG 70 -4.848 -12.552 -8.475 479 HB3 ARG 70 HB3 ARG 70 -3.332 -12.422 -9.359 480 HG2 ARG 70 HG2 ARG 70 -3.967 -14.663 -9.676 481 HG3 ARG 70 HG3 ARG 70 -2.782 -14.761 -8.375 482 HD2 ARG 70 HD2 ARG 70 -4.710 -14.667 -6.739 483 HD3 ARG 70 HD3 ARG 70 -5.798 -14.820 -8.118 484 HE ARG 70 HE ARG 70 -4.249 -16.931 -6.923 485 HH11 ARG 70 HH11 ARG 70 -5.588 -15.838 -9.978 486 HH12 ARG 70 HH12 ARG 70 -5.680 -17.433 -10.648 487 HH21 ARG 70 HH21 ARG 70 -4.397 -18.993 -7.830 488 HH22 ARG 70 HH22 ARG 70 -5.009 -19.206 -9.436 489 HA PRO 71 HA PRO 71 0.958 -13.353 -6.266 490 HB2 PRO 71 HB2 PRO 71 1.138 -16.006 -5.635 491 HB3 PRO 71 HB3 PRO 71 0.730 -14.738 -4.453 492 HG2 PRO 71 HG2 PRO 71 -1.093 -16.584 -5.926 493 HG3 PRO 71 HG3 PRO 71 -1.094 -16.131 -4.208 494 HD2 PRO 71 HD2 PRO 71 -2.803 -14.992 -5.943 495 HD3 PRO 71 HD3 PRO 71 -2.083 -14.054 -4.614 496 H GLN 72 H GLN 72 -1.090 -15.677 -7.954 497 HA GLN 72 HA GLN 72 0.889 -16.660 -9.761 498 HB2 GLN 72 HB2 GLN 72 -2.123 -16.714 -9.764 499 HB3 GLN 72 HB3 GLN 72 -1.154 -17.459 -11.046 500 HG2 GLN 72 HG2 GLN 72 0.020 -18.822 -9.336 501 HG3 GLN 72 HG3 GLN 72 -0.995 -18.106 -8.082 502 HE21 GLN 72 HE21 GLN 72 -2.140 -20.032 -7.500 503 HE22 GLN 72 HE22 GLN 72 -3.173 -20.845 -8.573 504 H GLY 73 H GLY 73 -1.444 -14.044 -9.815 505 HA2 GLY 73 HA2 GLY 73 -1.018 -11.992 -10.959 506 HA3 GLY 73 HA3 GLY 73 -0.075 -12.882 -12.150 507 H LYS 74 H LYS 74 -2.448 -14.952 -12.112 508 HA LYS 74 HA LYS 74 -4.455 -13.362 -13.543 509 HB2 LYS 74 HB2 LYS 74 -4.491 -14.982 -15.416 510 HB3 LYS 74 HB3 LYS 74 -2.987 -14.069 -15.321 511 HG2 LYS 74 HG2 LYS 74 -1.933 -15.996 -14.127 512 HG3 LYS 74 HG3 LYS 74 -3.430 -16.908 -14.327 513 HD2 LYS 74 HD2 LYS 74 -2.049 -17.610 -16.127 514 HD3 LYS 74 HD3 LYS 74 -3.181 -16.466 -16.847 515 HE2 LYS 74 HE2 LYS 74 -1.510 -14.676 -16.709 516 HE3 LYS 74 HE3 LYS 74 -0.379 -15.773 -15.909 517 HZ1 LYS 74 HZ1 LYS 74 -0.336 -17.147 -17.861 518 HZ2 LYS 74 HZ2 LYS 74 0.039 -15.551 -18.302 519 HZ3 LYS 74 HZ3 LYS 74 -1.502 -16.187 -18.627 520 H SER 75 H SER 75 -6.445 -13.900 -13.066 521 HA SER 75 HA SER 75 -7.013 -16.583 -11.963 522 HB2 SER 75 HB2 SER 75 -7.272 -14.912 -10.201 523 HB3 SER 75 HB3 SER 75 -8.294 -13.933 -11.251 524 HG SER 75 HG SER 75 -9.463 -15.294 -9.770 525 H TYR 76 H TYR 76 -8.747 -17.706 -12.855 526 HA TYR 76 HA TYR 76 -9.931 -16.502 -15.258 527 HB2 TYR 76 HB2 TYR 76 -8.921 -18.807 -15.334 528 HB3 TYR 76 HB3 TYR 76 -10.212 -19.349 -14.258 529 HD1 TYR 76 HD1 TYR 76 -9.506 -17.862 -17.601 530 HD2 TYR 76 HD2 TYR 76 -12.424 -19.767 -15.086 531 HE1 TYR 76 HE1 TYR 76 -11.017 -18.127 -19.551 532 HE2 TYR 76 HE2 TYR 76 -13.933 -20.031 -17.036 533 HH TYR 76 HH TYR 76 -14.260 -18.852 -19.279 534 H LEU 77 H LEU 77 -11.348 -15.052 -14.284 535 HA LEU 77 HA LEU 77 -13.884 -16.238 -13.419 536 HB2 LEU 77 HB2 LEU 77 -12.271 -14.243 -11.853 537 HB3 LEU 77 HB3 LEU 77 -14.032 -14.261 -11.725 538 HG LEU 77 HG LEU 77 -12.339 -16.743 -11.313 539 HD11 LEU 77 HD11 LEU 77 -11.695 -14.979 -9.677 540 HD12 LEU 77 HD12 LEU 77 -12.531 -16.322 -8.899 541 HD13 LEU 77 HD13 LEU 77 -13.390 -14.815 -9.216 542 HD21 LEU 77 HD21 LEU 77 -14.638 -17.286 -11.720 543 HD22 LEU 77 HD22 LEU 77 -15.209 -15.938 -10.738 544 HD23 LEU 77 HD23 LEU 77 -14.463 -17.333 -9.968 545 H TYR 78 H TYR 78 -15.733 -14.962 -13.914 546 HA TYR 78 HA TYR 78 -15.178 -12.791 -15.827 547 HB2 TYR 78 HB2 TYR 78 -16.691 -14.678 -16.501 548 HB3 TYR 78 HB3 TYR 78 -17.815 -14.170 -15.240 549 HD1 TYR 78 HD1 TYR 78 -16.185 -13.178 -18.423 550 HD2 TYR 78 HD2 TYR 78 -19.177 -12.193 -15.500 551 HE1 TYR 78 HE1 TYR 78 -17.124 -11.472 -19.957 552 HE2 TYR 78 HE2 TYR 78 -20.114 -10.487 -17.036 553 HH TYR 78 HH TYR 78 -19.356 -10.339 -20.301 554 H PHE 79 H PHE 79 -14.614 -11.222 -14.310 555 HA PHE 79 HA PHE 79 -16.182 -10.634 -12.001 556 HB2 PHE 79 HB2 PHE 79 -14.046 -9.034 -13.427 557 HB3 PHE 79 HB3 PHE 79 -14.791 -8.552 -11.902 558 HD1 PHE 79 HD1 PHE 79 -12.385 -10.766 -13.512 559 HD2 PHE 79 HD2 PHE 79 -14.530 -9.990 -9.871 560 HE1 PHE 79 HE1 PHE 79 -10.800 -12.213 -12.268 561 HE2 PHE 79 HE2 PHE 79 -12.946 -11.439 -8.631 562 HZ PHE 79 HZ PHE 79 -11.083 -12.548 -9.827 563 H THR 80 H THR 80 -17.886 -9.331 -11.746 564 HA THR 80 HA THR 80 -19.129 -8.118 -14.042 565 HB THR 80 HB THR 80 -19.810 -7.855 -11.093 566 HG1 THR 80 HG1 THR 80 -20.891 -9.515 -13.125 567 HG21 THR 80 HG21 THR 80 -22.029 -7.148 -11.900 568 HG22 THR 80 HG22 THR 80 -21.465 -7.265 -13.567 569 HG23 THR 80 HG23 THR 80 -20.777 -6.053 -12.487 570 H GLN 81 H GLN 81 -17.395 -7.032 -11.166 571 HA GLN 81 HA GLN 81 -15.999 -4.956 -12.328 572 HB2 GLN 81 HB2 GLN 81 -17.153 -2.924 -11.461 573 HB3 GLN 81 HB3 GLN 81 -18.095 -3.739 -12.707 574 HG2 GLN 81 HG2 GLN 81 -19.400 -4.878 -10.881 575 HG3 GLN 81 HG3 GLN 81 -18.506 -3.912 -9.703 576 HE21 GLN 81 HE21 GLN 81 -21.406 -3.963 -11.323 577 HE22 GLN 81 HE22 GLN 81 -21.734 -2.299 -11.354 578 H PHE 82 H PHE 82 -14.946 -3.518 -10.688 579 HA PHE 82 HA PHE 82 -15.100 -4.610 -7.959 580 HB2 PHE 82 HB2 PHE 82 -12.653 -4.696 -7.788 581 HB3 PHE 82 HB3 PHE 82 -13.307 -5.808 -8.989 582 HD1 PHE 82 HD1 PHE 82 -11.408 -2.689 -8.477 583 HD2 PHE 82 HD2 PHE 82 -12.913 -5.475 -11.372 584 HE1 PHE 82 HE1 PHE 82 -9.959 -1.664 -10.213 585 HE2 PHE 82 HE2 PHE 82 -11.469 -4.453 -13.110 586 HZ PHE 82 HZ PHE 82 -9.991 -2.548 -12.530 587 H LYS 83 H LYS 83 -14.438 -3.265 -6.306 588 HA LYS 83 HA LYS 83 -13.783 -0.488 -7.002 589 HB2 LYS 83 HB2 LYS 83 -16.146 -1.172 -5.224 590 HB3 LYS 83 HB3 LYS 83 -15.655 0.431 -5.784 591 HG2 LYS 83 HG2 LYS 83 -16.003 -0.482 -8.177 592 HG3 LYS 83 HG3 LYS 83 -16.790 -1.845 -7.413 593 HD2 LYS 83 HD2 LYS 83 -18.416 -0.385 -6.304 594 HD3 LYS 83 HD3 LYS 83 -17.663 1.027 -7.048 595 HE2 LYS 83 HE2 LYS 83 -18.175 0.148 -9.280 596 HE3 LYS 83 HE3 LYS 83 -18.928 -1.279 -8.566 597 HZ1 LYS 83 HZ1 LYS 83 -20.657 0.236 -9.041 598 HZ2 LYS 83 HZ2 LYS 83 -19.812 1.546 -8.365 599 HZ3 LYS 83 HZ3 LYS 83 -20.427 0.318 -7.363 600 H ALA 84 H ALA 84 -12.850 0.703 -5.290 601 HA ALA 84 HA ALA 84 -12.382 -0.693 -2.755 602 HB1 ALA 84 HB1 ALA 84 -10.466 -1.313 -4.145 603 HB2 ALA 84 HB2 ALA 84 -9.964 -0.220 -2.856 604 HB3 ALA 84 HB3 ALA 84 -10.158 0.387 -4.501 605 H GLU 85 H GLU 85 -12.031 0.647 -1.016 606 HA GLU 85 HA GLU 85 -11.659 3.500 -1.380 607 HB2 GLU 85 HB2 GLU 85 -13.753 4.138 -0.234 608 HB3 GLU 85 HB3 GLU 85 -14.084 3.260 -1.728 609 HG2 GLU 85 HG2 GLU 85 -14.480 1.185 -0.488 610 HG3 GLU 85 HG3 GLU 85 -14.048 1.981 1.029 611 H VAL 86 H VAL 86 -11.323 4.618 0.703 612 HA VAL 86 HA VAL 86 -10.756 2.776 2.939 613 HB VAL 86 HB VAL 86 -8.739 3.979 3.479 614 HG11 VAL 86 HG11 VAL 86 -8.517 3.069 0.587 615 HG12 VAL 86 HG12 VAL 86 -8.843 1.924 1.881 616 HG13 VAL 86 HG13 VAL 86 -7.349 2.854 1.887 617 HG21 VAL 86 HG21 VAL 86 -9.221 5.397 0.828 618 HG22 VAL 86 HG22 VAL 86 -7.706 5.481 1.726 619 HG23 VAL 86 HG23 VAL 86 -9.182 6.146 2.425 620 H ARG 87 H ARG 87 -10.423 3.858 5.014 621 HA ARG 87 HA ARG 87 -11.956 6.377 5.266 622 HB2 ARG 87 HB2 ARG 87 -12.414 3.818 6.768 623 HB3 ARG 87 HB3 ARG 87 -13.110 5.376 7.231 624 HG2 ARG 87 HG2 ARG 87 -14.314 5.550 5.160 625 HG3 ARG 87 HG3 ARG 87 -13.455 4.159 4.486 626 HD2 ARG 87 HD2 ARG 87 -14.382 2.724 6.090 627 HD3 ARG 87 HD3 ARG 87 -15.231 4.041 6.913 628 HE ARG 87 HE ARG 87 -15.987 3.980 4.165 629 HH11 ARG 87 HH11 ARG 87 -16.509 2.166 7.129 630 HH12 ARG 87 HH12 ARG 87 -18.045 1.547 6.621 631 HH21 ARG 87 HH21 ARG 87 -17.988 3.142 3.539 632 HH22 ARG 87 HH22 ARG 87 -18.872 2.097 4.600 633 H GLY 88 H GLY 88 -11.755 7.450 7.277 634 HA2 GLY 88 HA2 GLY 88 -10.683 8.148 9.222 635 HA3 GLY 88 HA3 GLY 88 -9.685 6.702 9.145 636 H ALA 89 H ALA 89 -9.456 8.106 6.152 637 HA ALA 89 HA ALA 89 -7.498 10.144 6.722 638 HB1 ALA 89 HB1 ALA 89 -6.679 7.448 5.636 639 HB2 ALA 89 HB2 ALA 89 -6.062 8.263 7.073 640 HB3 ALA 89 HB3 ALA 89 -5.691 8.899 5.470 641 H GLU 90 H GLU 90 -6.444 10.854 4.608 642 HA GLU 90 HA GLU 90 -8.489 10.800 2.482 643 HB2 GLU 90 HB2 GLU 90 -7.406 12.871 1.643 644 HB3 GLU 90 HB3 GLU 90 -8.004 13.056 3.290 645 HG2 GLU 90 HG2 GLU 90 -5.720 12.629 4.164 646 HG3 GLU 90 HG3 GLU 90 -5.122 12.461 2.514 647 H ILE 91 H ILE 91 -7.946 10.319 0.393 648 HA ILE 91 HA ILE 91 -5.633 8.585 0.114 649 HB ILE 91 HB ILE 91 -7.879 9.203 -1.846 650 HG12 ILE 91 HG12 ILE 91 -7.488 6.715 -0.138 651 HG13 ILE 91 HG13 ILE 91 -8.496 8.067 0.381 652 HG21 ILE 91 HG21 ILE 91 -5.829 8.348 -2.955 653 HG22 ILE 91 HG22 ILE 91 -7.111 7.138 -2.994 654 HG23 ILE 91 HG23 ILE 91 -5.790 6.984 -1.835 655 HD11 ILE 91 HD11 ILE 91 -9.674 7.773 -1.939 656 HD12 ILE 91 HD12 ILE 91 -10.049 6.624 -0.656 657 HD13 ILE 91 HD13 ILE 91 -8.920 6.178 -1.935 658 H GLU 92 H GLU 92 -3.742 9.235 -0.637 659 HA GLU 92 HA GLU 92 -3.456 11.797 -1.952 660 HB2 GLU 92 HB2 GLU 92 -1.465 9.674 -1.176 661 HB3 GLU 92 HB3 GLU 92 -1.022 11.133 -2.065 662 HG2 GLU 92 HG2 GLU 92 -2.022 12.502 -0.232 663 HG3 GLU 92 HG3 GLU 92 -2.319 11.021 0.677 664 H TYR 93 H TYR 93 -3.269 8.355 -2.772 665 HA TYR 93 HA TYR 93 -3.831 8.872 -5.525 666 HB2 TYR 93 HB2 TYR 93 -1.255 9.279 -5.112 667 HB3 TYR 93 HB3 TYR 93 -1.178 7.520 -5.137 668 HD1 TYR 93 HD1 TYR 93 -2.199 10.510 -7.101 669 HD2 TYR 93 HD2 TYR 93 -1.381 6.294 -7.193 670 HE1 TYR 93 HE1 TYR 93 -2.275 10.551 -9.578 671 HE2 TYR 93 HE2 TYR 93 -1.460 6.339 -9.672 672 HH TYR 93 HH TYR 93 -1.121 8.912 -11.475 673 H ALA 94 H ALA 94 -4.739 7.125 -6.451 674 HA ALA 94 HA ALA 94 -4.280 4.439 -5.361 675 HB1 ALA 94 HB1 ALA 94 -7.007 5.726 -5.619 676 HB2 ALA 94 HB2 ALA 94 -6.232 5.185 -4.130 677 HB3 ALA 94 HB3 ALA 94 -6.736 4.006 -5.339 678 H MET 95 H MET 95 -4.348 2.866 -6.905 679 HA MET 95 HA MET 95 -5.693 3.194 -9.414 680 HB2 MET 95 HB2 MET 95 -3.726 3.233 -10.869 681 HB3 MET 95 HB3 MET 95 -3.763 4.658 -9.827 682 HG2 MET 95 HG2 MET 95 -2.147 3.597 -8.296 683 HG3 MET 95 HG3 MET 95 -2.127 2.151 -9.312 684 HE1 MET 95 HE1 MET 95 -1.439 1.931 -11.503 685 HE2 MET 95 HE2 MET 95 -0.392 2.979 -12.453 686 HE3 MET 95 HE3 MET 95 -2.117 3.325 -12.359 687 H ALA 96 H ALA 96 -5.014 1.394 -10.991 688 HA ALA 96 HA ALA 96 -4.238 -1.042 -9.533 689 HB1 ALA 96 HB1 ALA 96 -6.182 -1.767 -11.495 690 HB2 ALA 96 HB2 ALA 96 -6.852 -0.446 -10.549 691 HB3 ALA 96 HB3 ALA 96 -6.295 -1.908 -9.747 692 H TYR 97 H TYR 97 -3.215 -2.652 -10.780 693 HA TYR 97 HA TYR 97 -2.256 -1.718 -13.439 694 HB2 TYR 97 HB2 TYR 97 -0.883 -3.475 -11.416 695 HB3 TYR 97 HB3 TYR 97 -0.255 -3.124 -13.021 696 HD1 TYR 97 HD1 TYR 97 -0.783 -1.851 -9.641 697 HD2 TYR 97 HD2 TYR 97 0.398 -0.796 -13.632 698 HE1 TYR 97 HE1 TYR 97 0.215 0.252 -8.791 699 HE2 TYR 97 HE2 TYR 97 1.397 1.309 -12.780 700 HH TYR 97 HH TYR 97 2.334 1.900 -9.999 701 H SER 98 H SER 98 -3.160 -2.785 -15.073 702 HA SER 98 HA SER 98 -4.459 -5.317 -14.868 703 HB2 SER 98 HB2 SER 98 -3.509 -3.749 -17.270 704 HB3 SER 98 HB3 SER 98 -4.448 -5.237 -17.371 705 HG SER 98 HG SER 98 -6.163 -4.174 -16.742 706 H LYS 99 H LYS 99 -1.281 -4.294 -16.000 707 HA LYS 99 HA LYS 99 -0.317 -7.064 -15.818 708 HB2 LYS 99 HB2 LYS 99 -1.007 -6.556 -18.197 709 HB3 LYS 99 HB3 LYS 99 0.244 -5.317 -18.225 710 HG2 LYS 99 HG2 LYS 99 1.286 -7.238 -19.158 711 HG3 LYS 99 HG3 LYS 99 1.874 -7.173 -17.496 712 HD2 LYS 99 HD2 LYS 99 1.260 -9.451 -17.866 713 HD3 LYS 99 HD3 LYS 99 -0.057 -8.779 -16.913 714 HE2 LYS 99 HE2 LYS 99 -1.420 -8.479 -18.911 715 HE3 LYS 99 HE3 LYS 99 -0.079 -8.984 -19.939 716 HZ1 LYS 99 HZ1 LYS 99 -0.123 -11.148 -18.836 717 HZ2 LYS 99 HZ2 LYS 99 -1.607 -10.799 -19.588 718 HZ3 LYS 99 HZ3 LYS 99 -1.449 -10.654 -17.902 719 H ALA 100 H ALA 100 1.711 -7.236 -15.037 720 HA ALA 100 HA ALA 100 3.050 -4.763 -14.226 721 HB1 ALA 100 HB1 ALA 100 3.879 -7.565 -13.495 722 HB2 ALA 100 HB2 ALA 100 2.583 -6.719 -12.647 723 HB3 ALA 100 HB3 ALA 100 4.219 -6.062 -12.637 724 H ALA 101 H ALA 101 4.427 -3.927 -15.632 725 HA ALA 101 HA ALA 101 6.023 -3.714 -17.269 726 HB1 ALA 101 HB1 ALA 101 8.015 -5.338 -16.808 727 HB2 ALA 101 HB2 ALA 101 7.093 -5.743 -15.358 728 HB3 ALA 101 HB3 ALA 101 7.607 -4.079 -15.639 729 H PHE 102 H PHE 102 5.141 -4.208 -19.207 730 HA PHE 102 HA PHE 102 4.534 -6.810 -20.129 731 HB2 PHE 102 HB2 PHE 102 3.600 -4.740 -21.154 732 HB3 PHE 102 HB3 PHE 102 5.207 -4.332 -21.760 733 HD1 PHE 102 HD1 PHE 102 2.504 -6.901 -21.927 734 HD2 PHE 102 HD2 PHE 102 6.041 -5.311 -23.774 735 HE1 PHE 102 HE1 PHE 102 2.106 -8.330 -23.914 736 HE2 PHE 102 HE2 PHE 102 5.643 -6.741 -25.764 737 HZ PHE 102 HZ PHE 102 3.676 -8.252 -25.832 738 H GLU 103 H GLU 103 5.813 -8.376 -20.903 739 HA GLU 103 HA GLU 103 7.664 -9.538 -21.524 740 HB2 GLU 103 HB2 GLU 103 7.691 -7.929 -23.454 741 HB3 GLU 103 HB3 GLU 103 8.775 -6.890 -22.524 742 HG2 GLU 103 HG2 GLU 103 10.413 -8.724 -22.375 743 HG3 GLU 103 HG3 GLU 103 9.329 -9.773 -23.292 744 H ARG 104 H ARG 104 9.378 -6.494 -20.728 745 HA ARG 104 HA ARG 104 10.300 -7.694 -18.215 746 HB2 ARG 104 HB2 ARG 104 12.079 -6.557 -20.370 747 HB3 ARG 104 HB3 ARG 104 12.608 -6.819 -18.705 748 HG2 ARG 104 HG2 ARG 104 11.903 -9.226 -18.944 749 HG3 ARG 104 HG3 ARG 104 11.621 -8.914 -20.660 750 HD2 ARG 104 HD2 ARG 104 14.259 -8.462 -19.236 751 HD3 ARG 104 HD3 ARG 104 13.882 -9.872 -20.219 752 HE ARG 104 HE ARG 104 13.383 -7.667 -21.840 753 HH11 ARG 104 HH11 ARG 104 16.175 -8.958 -20.136 754 HH12 ARG 104 HH12 ARG 104 17.316 -8.315 -21.270 755 HH21 ARG 104 HH21 ARG 104 14.907 -6.846 -23.291 756 HH22 ARG 104 HH22 ARG 104 16.599 -7.124 -23.046 757 H GLU 105 H GLU 105 9.142 -4.943 -19.930 758 HA GLU 105 HA GLU 105 9.475 -3.262 -17.549 759 HB2 GLU 105 HB2 GLU 105 10.453 -2.322 -20.246 760 HB3 GLU 105 HB3 GLU 105 10.459 -1.404 -18.746 761 HG2 GLU 105 HG2 GLU 105 11.932 -3.217 -17.750 762 HG3 GLU 105 HG3 GLU 105 12.074 -3.889 -19.370 763 H SER 106 H SER 106 8.336 -1.258 -17.642 764 HA SER 106 HA SER 106 6.524 0.039 -17.978 765 HB2 SER 106 HB2 SER 106 5.995 0.612 -20.169 766 HB3 SER 106 HB3 SER 106 7.605 -0.098 -20.327 767 HG SER 106 HG SER 106 5.082 -1.164 -20.993 768 H ASP 107 H ASP 107 5.105 -0.625 -16.610 769 HA ASP 107 HA ASP 107 3.425 -2.929 -17.012 770 HB2 ASP 107 HB2 ASP 107 2.449 -2.263 -14.904 771 HB3 ASP 107 HB3 ASP 107 4.199 -2.219 -14.775 772 H VAL 108 H VAL 108 1.025 -2.737 -17.001 773 HA VAL 108 HA VAL 108 0.125 -0.344 -18.504 774 HB VAL 108 HB VAL 108 -1.054 -3.148 -18.511 775 HG11 VAL 108 HG11 VAL 108 -1.751 -0.704 -20.175 776 HG12 VAL 108 HG12 VAL 108 -2.742 -1.372 -18.878 777 HG13 VAL 108 HG13 VAL 108 -2.467 -2.307 -20.348 778 HG21 VAL 108 HG21 VAL 108 -0.229 -3.177 -20.875 779 HG22 VAL 108 HG22 VAL 108 1.088 -3.064 -19.708 780 HG23 VAL 108 HG23 VAL 108 0.565 -1.628 -20.589 781 HA PRO 109 HA PRO 109 -2.342 0.024 -14.602 782 HB2 PRO 109 HB2 PRO 109 -2.618 2.660 -14.512 783 HB3 PRO 109 HB3 PRO 109 -1.037 1.904 -14.201 784 HG2 PRO 109 HG2 PRO 109 -2.029 3.227 -16.686 785 HG3 PRO 109 HG3 PRO 109 -0.454 3.377 -15.880 786 HD2 PRO 109 HD2 PRO 109 -0.925 1.722 -18.050 787 HD3 PRO 109 HD3 PRO 109 0.381 1.473 -16.867 788 H LEU 110 H LEU 110 -4.567 0.138 -14.278 789 HA LEU 110 HA LEU 110 -6.283 0.364 -16.586 790 HB2 LEU 110 HB2 LEU 110 -6.879 -0.062 -13.654 791 HB3 LEU 110 HB3 LEU 110 -8.156 0.136 -14.858 792 HG LEU 110 HG LEU 110 -5.954 -1.932 -15.104 793 HD11 LEU 110 HD11 LEU 110 -7.664 -3.571 -14.352 794 HD12 LEU 110 HD12 LEU 110 -8.773 -2.241 -14.020 795 HD13 LEU 110 HD13 LEU 110 -7.288 -2.403 -13.089 796 HD21 LEU 110 HD21 LEU 110 -6.974 -1.505 -17.236 797 HD22 LEU 110 HD22 LEU 110 -8.583 -1.396 -16.527 798 HD23 LEU 110 HD23 LEU 110 -7.773 -2.959 -16.637 799 H LYS 111 H LYS 111 -7.831 1.878 -17.045 800 HA LYS 111 HA LYS 111 -7.149 4.568 -16.600 801 HB2 LYS 111 HB2 LYS 111 -8.354 3.662 -18.605 802 HB3 LYS 111 HB3 LYS 111 -9.789 3.464 -17.602 803 HG2 LYS 111 HG2 LYS 111 -9.854 5.841 -17.175 804 HG3 LYS 111 HG3 LYS 111 -8.353 6.098 -18.070 805 HD2 LYS 111 HD2 LYS 111 -10.849 4.886 -19.300 806 HD3 LYS 111 HD3 LYS 111 -10.510 6.615 -19.340 807 HE2 LYS 111 HE2 LYS 111 -8.328 6.118 -20.465 808 HE3 LYS 111 HE3 LYS 111 -8.783 4.415 -20.521 809 HZ1 LYS 111 HZ1 LYS 111 -10.081 6.698 -21.883 810 HZ2 LYS 111 HZ2 LYS 111 -10.856 5.197 -21.696 811 HZ3 LYS 111 HZ3 LYS 111 -9.408 5.307 -22.578 812 H THR 112 H THR 112 -7.801 6.051 -15.146 813 HA THR 112 HA THR 112 -9.050 5.366 -12.694 814 HB THR 112 HB THR 112 -8.778 8.107 -13.999 815 HG1 THR 112 HG1 THR 112 -6.760 7.493 -13.713 816 HG21 THR 112 HG21 THR 112 -10.385 8.119 -12.137 817 HG22 THR 112 HG22 THR 112 -8.899 8.945 -11.666 818 HG23 THR 112 HG23 THR 112 -9.211 7.303 -11.103 819 H GLU 113 H GLU 113 -10.224 6.716 -15.683 820 HA GLU 113 HA GLU 113 -12.833 7.440 -15.118 821 HB2 GLU 113 HB2 GLU 113 -11.423 7.623 -17.287 822 HB3 GLU 113 HB3 GLU 113 -12.056 6.023 -17.634 823 HG2 GLU 113 HG2 GLU 113 -14.359 6.830 -17.403 824 HG3 GLU 113 HG3 GLU 113 -13.769 8.457 -17.061 825 H GLU 114 H GLU 114 -11.471 4.278 -14.995 826 HA GLU 114 HA GLU 114 -13.588 2.640 -15.837 827 HB2 GLU 114 HB2 GLU 114 -11.283 1.840 -15.453 828 HB3 GLU 114 HB3 GLU 114 -11.471 2.131 -13.723 829 HG2 GLU 114 HG2 GLU 114 -13.304 0.482 -13.631 830 HG3 GLU 114 HG3 GLU 114 -13.152 0.195 -15.362 831 H PHE 115 H PHE 115 -12.854 4.121 -12.707 832 HA PHE 115 HA PHE 115 -15.614 3.814 -11.825 833 HB2 PHE 115 HB2 PHE 115 -15.080 2.560 -9.768 834 HB3 PHE 115 HB3 PHE 115 -14.743 1.614 -11.217 835 HD1 PHE 115 HD1 PHE 115 -13.257 3.433 -8.374 836 HD2 PHE 115 HD2 PHE 115 -12.445 1.115 -11.898 837 HE1 PHE 115 HE1 PHE 115 -10.905 3.139 -7.639 838 HE2 PHE 115 HE2 PHE 115 -10.096 0.821 -11.164 839 HZ PHE 115 HZ PHE 115 -9.325 1.832 -9.036 840 H GLU 116 H GLU 116 -16.000 4.783 -9.678 841 HA GLU 116 HA GLU 116 -14.146 7.031 -9.187 842 HB2 GLU 116 HB2 GLU 116 -16.262 7.782 -10.135 843 HB3 GLU 116 HB3 GLU 116 -17.162 6.937 -8.875 844 HG2 GLU 116 HG2 GLU 116 -16.289 8.388 -7.156 845 HG3 GLU 116 HG3 GLU 116 -15.126 9.117 -8.250 846 H VAL 117 H VAL 117 -13.304 7.284 -7.259 847 HA VAL 117 HA VAL 117 -14.484 5.874 -4.936 848 HB VAL 117 HB VAL 117 -11.518 6.248 -5.531 849 HG11 VAL 117 HG11 VAL 117 -12.868 4.807 -3.221 850 HG12 VAL 117 HG12 VAL 117 -12.102 6.391 -3.108 851 HG13 VAL 117 HG13 VAL 117 -11.130 4.968 -3.480 852 HG21 VAL 117 HG21 VAL 117 -12.512 4.459 -6.894 853 HG22 VAL 117 HG22 VAL 117 -13.264 3.761 -5.460 854 HG23 VAL 117 HG23 VAL 117 -11.509 3.750 -5.628 855 H THR 118 H THR 118 -15.100 7.232 -3.453 856 HA THR 118 HA THR 118 -13.826 9.883 -3.205 857 HB THR 118 HB THR 118 -16.697 9.215 -2.518 858 HG1 THR 118 HG1 THR 118 -15.620 10.510 -4.802 859 HG21 THR 118 HG21 THR 118 -16.850 11.755 -2.694 860 HG22 THR 118 HG22 THR 118 -15.086 11.762 -2.698 861 HG23 THR 118 HG23 THR 118 -15.961 11.128 -1.305 862 H LYS 119 H LYS 119 -13.788 10.786 -1.062 863 HA LYS 119 HA LYS 119 -12.711 9.081 0.847 864 HB2 LYS 119 HB2 LYS 119 -12.834 10.966 2.396 865 HB3 LYS 119 HB3 LYS 119 -12.323 11.514 0.802 866 HG2 LYS 119 HG2 LYS 119 -14.657 12.217 0.308 867 HG3 LYS 119 HG3 LYS 119 -15.137 11.714 1.932 868 HD2 LYS 119 HD2 LYS 119 -13.475 13.316 2.882 869 HD3 LYS 119 HD3 LYS 119 -13.118 13.871 1.246 870 HE2 LYS 119 HE2 LYS 119 -15.856 13.975 2.553 871 HE3 LYS 119 HE3 LYS 119 -14.761 15.347 2.389 872 HZ1 LYS 119 HZ1 LYS 119 -16.168 13.850 0.267 873 HZ2 LYS 119 HZ2 LYS 119 -14.790 14.781 -0.081 874 HZ3 LYS 119 HZ3 LYS 119 -16.177 15.518 0.569 875 H THR 120 H THR 120 -16.055 9.694 0.177 876 HA THR 120 HA THR 120 -16.800 7.888 2.355 877 HB THR 120 HB THR 120 -16.956 10.113 3.352 878 HG1 THR 120 HG1 THR 120 -18.480 8.686 4.065 879 HG21 THR 120 HG21 THR 120 -17.415 11.263 1.115 880 HG22 THR 120 HG22 THR 120 -18.348 11.843 2.494 881 HG23 THR 120 HG23 THR 120 -19.095 10.763 1.317 882 H ALA 121 H ALA 121 -16.869 8.068 -0.754 883 HA ALA 121 HA ALA 121 -19.420 6.702 -1.017 884 HB1 ALA 121 HB1 ALA 121 -19.945 9.157 -1.316 885 HB2 ALA 121 HB2 ALA 121 -20.385 8.122 -2.675 886 HB3 ALA 121 HB3 ALA 121 -18.931 9.118 -2.758 887 H VAL 122 H VAL 122 -19.565 5.375 -2.758 888 HA VAL 122 HA VAL 122 -17.278 5.262 -4.609 889 HB VAL 122 HB VAL 122 -18.534 2.884 -3.185 890 HG11 VAL 122 HG11 VAL 122 -17.800 2.493 -5.574 891 HG12 VAL 122 HG12 VAL 122 -16.952 1.512 -4.378 892 HG13 VAL 122 HG13 VAL 122 -16.166 2.933 -5.073 893 HG21 VAL 122 HG21 VAL 122 -17.056 4.030 -1.683 894 HG22 VAL 122 HG22 VAL 122 -15.858 4.273 -2.954 895 HG23 VAL 122 HG23 VAL 122 -16.150 2.654 -2.316 896 H ALA 123 H ALA 123 -17.862 5.089 -6.702 897 HA ALA 123 HA ALA 123 -20.428 3.903 -7.388 898 HB1 ALA 123 HB1 ALA 123 -19.770 6.796 -7.790 899 HB2 ALA 123 HB2 ALA 123 -21.279 6.054 -7.254 900 HB3 ALA 123 HB3 ALA 123 -20.806 5.967 -8.951 901 H HIS 124 H HIS 124 -20.576 3.164 -9.515 902 HA HIS 124 HA HIS 124 -18.061 2.636 -10.798 903 HB2 HIS 124 HB2 HIS 124 -19.366 1.261 -12.360 904 HB3 HIS 124 HB3 HIS 124 -19.799 0.884 -10.692 905 HD2 HIS 124 HD2 HIS 124 -21.476 2.183 -13.939 906 HE1 HIS 124 HE1 HIS 124 -24.346 2.525 -10.860 907 HE2 HIS 124 HE2 HIS 124 -23.981 2.657 -13.370 908 H ARG 125 H ARG 125 -17.526 3.133 -12.928 909 HA ARG 125 HA ARG 125 -18.787 5.583 -13.999 910 HB2 ARG 125 HB2 ARG 125 -15.932 4.629 -14.153 911 HB3 ARG 125 HB3 ARG 125 -16.549 6.057 -14.982 912 HG2 ARG 125 HG2 ARG 125 -16.785 5.708 -11.979 913 HG3 ARG 125 HG3 ARG 125 -15.389 6.487 -12.728 914 HD2 ARG 125 HD2 ARG 125 -18.278 7.372 -13.062 915 HD3 ARG 125 HD3 ARG 125 -17.088 8.148 -12.020 916 HE ARG 125 HE ARG 125 -17.250 8.340 -14.919 917 HH11 ARG 125 HH11 ARG 125 -15.217 8.805 -12.086 918 HH12 ARG 125 HH12 ARG 125 -14.141 9.898 -12.891 919 HH21 ARG 125 HH21 ARG 125 -15.801 9.748 -15.934 920 HH22 ARG 125 HH22 ARG 125 -14.471 10.426 -15.056 921 HA PRO 126 HA PRO 126 -19.620 3.328 -17.775 922 HB2 PRO 126 HB2 PRO 126 -19.051 5.123 -19.753 923 HB3 PRO 126 HB3 PRO 126 -20.503 5.236 -18.735 924 HG2 PRO 126 HG2 PRO 126 -17.910 6.695 -18.484 925 HG3 PRO 126 HG3 PRO 126 -19.570 7.314 -18.351 926 HD2 PRO 126 HD2 PRO 126 -18.104 6.801 -16.154 927 HD3 PRO 126 HD3 PRO 126 -19.857 6.485 -16.185 928 H GLY 127 H GLY 127 -18.555 2.090 -19.348 929 HA2 GLY 127 HA2 GLY 127 -16.771 1.243 -20.599 930 HA3 GLY 127 HA3 GLY 127 -15.776 2.579 -20.025 931 H ALA 128 H ALA 128 -17.401 1.003 -17.462 932 HA ALA 128 HA ALA 128 -15.122 0.203 -16.096 933 HB1 ALA 128 HB1 ALA 128 -17.766 -1.194 -15.771 934 HB2 ALA 128 HB2 ALA 128 -17.540 0.476 -15.248 935 HB3 ALA 128 HB3 ALA 128 -16.562 -0.810 -14.539 936 H PHE 129 H PHE 129 -14.151 -1.779 -15.730 937 HA PHE 129 HA PHE 129 -14.167 -3.582 -18.019 938 HB2 PHE 129 HB2 PHE 129 -12.392 -3.300 -15.605 939 HB3 PHE 129 HB3 PHE 129 -12.243 -4.647 -16.729 940 HD1 PHE 129 HD1 PHE 129 -12.062 -0.944 -16.447 941 HD2 PHE 129 HD2 PHE 129 -11.255 -4.366 -18.904 942 HE1 PHE 129 HE1 PHE 129 -10.735 0.477 -17.979 943 HE2 PHE 129 HE2 PHE 129 -9.926 -2.944 -20.446 944 HZ PHE 129 HZ PHE 129 -9.666 -0.522 -19.983 945 H LYS 130 H LYS 130 -14.646 -5.733 -17.997 946 HA LYS 130 HA LYS 130 -15.917 -6.782 -15.543 947 HB2 LYS 130 HB2 LYS 130 -16.745 -7.255 -18.419 948 HB3 LYS 130 HB3 LYS 130 -17.448 -8.068 -17.017 949 HG2 LYS 130 HG2 LYS 130 -18.185 -5.906 -16.102 950 HG3 LYS 130 HG3 LYS 130 -17.435 -5.061 -17.459 951 HD2 LYS 130 HD2 LYS 130 -19.770 -5.234 -17.986 952 HD3 LYS 130 HD3 LYS 130 -18.948 -6.424 -18.993 953 HE2 LYS 130 HE2 LYS 130 -19.544 -8.211 -17.417 954 HE3 LYS 130 HE3 LYS 130 -20.304 -7.037 -16.344 955 HZ1 LYS 130 HZ1 LYS 130 -21.131 -7.541 -19.152 956 HZ2 LYS 130 HZ2 LYS 130 -21.905 -6.522 -18.033 957 HZ3 LYS 130 HZ3 LYS 130 -21.894 -8.205 -17.792 958 H ALA 131 H ALA 131 -14.764 -8.021 -18.697 959 HA ALA 131 HA ALA 131 -13.976 -10.556 -17.629 960 HB1 ALA 131 HB1 ALA 131 -14.681 -10.481 -19.903 961 HB2 ALA 131 HB2 ALA 131 -12.962 -10.877 -19.913 962 HB3 ALA 131 HB3 ALA 131 -13.494 -9.239 -20.297 963 H GLU 132 H GLU 132 -12.345 -7.517 -17.895 964 HA GLU 132 HA GLU 132 -9.666 -8.557 -17.987 965 HB2 GLU 132 HB2 GLU 132 -10.315 -6.307 -18.876 966 HB3 GLU 132 HB3 GLU 132 -10.575 -5.774 -17.214 967 HG2 GLU 132 HG2 GLU 132 -8.335 -5.100 -17.926 968 HG3 GLU 132 HG3 GLU 132 -8.204 -6.341 -16.686 969 H LEU 133 H LEU 133 -8.214 -8.850 -16.376 970 HA LEU 133 HA LEU 133 -9.189 -8.573 -13.595 971 HB2 LEU 133 HB2 LEU 133 -7.709 -10.457 -13.008 972 HB3 LEU 133 HB3 LEU 133 -8.897 -10.908 -14.229 973 HG LEU 133 HG LEU 133 -6.904 -10.180 -15.917 974 HD11 LEU 133 HD11 LEU 133 -4.737 -11.105 -14.858 975 HD12 LEU 133 HD12 LEU 133 -5.539 -10.850 -13.309 976 HD13 LEU 133 HD13 LEU 133 -5.240 -9.485 -14.381 977 HD21 LEU 133 HD21 LEU 133 -7.260 -12.807 -14.446 978 HD22 LEU 133 HD22 LEU 133 -6.105 -12.637 -15.768 979 HD23 LEU 133 HD23 LEU 133 -7.823 -12.379 -16.062 980 H SER 134 H SER 134 -7.735 -7.809 -12.004 981 HA SER 134 HA SER 134 -5.075 -6.941 -12.682 982 HB2 SER 134 HB2 SER 134 -6.350 -5.225 -13.862 983 HB3 SER 134 HB3 SER 134 -7.255 -4.869 -12.397 984 HG SER 134 HG SER 134 -5.475 -3.444 -12.740 985 H LYS 135 H LYS 135 -4.235 -5.387 -10.929 986 HA LYS 135 HA LYS 135 -5.288 -6.214 -8.291 987 HB2 LYS 135 HB2 LYS 135 -2.994 -5.913 -7.424 988 HB3 LYS 135 HB3 LYS 135 -3.060 -7.196 -8.629 989 HG2 LYS 135 HG2 LYS 135 -2.257 -5.554 -10.341 990 HG3 LYS 135 HG3 LYS 135 -2.138 -4.329 -9.078 991 HD2 LYS 135 HD2 LYS 135 -0.520 -5.743 -7.858 992 HD3 LYS 135 HD3 LYS 135 -0.630 -6.959 -9.136 993 HE2 LYS 135 HE2 LYS 135 0.195 -5.319 -10.780 994 HE3 LYS 135 HE3 LYS 135 0.300 -4.097 -9.509 995 HZ1 LYS 135 HZ1 LYS 135 2.077 -5.121 -8.539 996 HZ2 LYS 135 HZ2 LYS 135 2.366 -5.526 -10.164 997 HZ3 LYS 135 HZ3 LYS 135 1.665 -6.662 -9.112 998 H LEU 136 H LEU 136 -5.227 -4.683 -6.611 999 HA LEU 136 HA LEU 136 -5.236 -1.876 -7.547 1000 HB2 LEU 136 HB2 LEU 136 -6.831 -3.305 -5.449 1001 HB3 LEU 136 HB3 LEU 136 -6.749 -1.543 -5.511 1002 HG LEU 136 HG LEU 136 -7.544 -3.190 -7.927 1003 HD11 LEU 136 HD11 LEU 136 -9.263 -2.117 -5.674 1004 HD12 LEU 136 HD12 LEU 136 -9.158 -3.782 -6.244 1005 HD13 LEU 136 HD13 LEU 136 -9.914 -2.551 -7.253 1006 HD21 LEU 136 HD21 LEU 136 -8.278 -0.346 -7.144 1007 HD22 LEU 136 HD22 LEU 136 -8.450 -1.101 -8.724 1008 HD23 LEU 136 HD23 LEU 136 -6.850 -0.717 -8.103 1009 H VAL 137 H VAL 137 -4.244 -0.299 -6.400 1010 HA VAL 137 HA VAL 137 -2.903 -0.974 -3.886 1011 HB VAL 137 HB VAL 137 -1.204 -1.265 -5.676 1012 HG11 VAL 137 HG11 VAL 137 -0.471 0.628 -7.023 1013 HG12 VAL 137 HG12 VAL 137 -1.699 1.658 -6.293 1014 HG13 VAL 137 HG13 VAL 137 -2.179 0.303 -7.318 1015 HG21 VAL 137 HG21 VAL 137 0.515 0.061 -4.649 1016 HG22 VAL 137 HG22 VAL 137 -0.656 -0.278 -3.376 1017 HG23 VAL 137 HG23 VAL 137 -0.641 1.301 -4.161 1018 H ILE 138 H ILE 138 -3.406 0.481 -2.411 1019 HA ILE 138 HA ILE 138 -4.239 3.191 -3.281 1020 HB ILE 138 HB ILE 138 -5.390 1.593 -0.964 1021 HG12 ILE 138 HG12 ILE 138 -7.509 1.781 -2.563 1022 HG13 ILE 138 HG13 ILE 138 -6.294 1.975 -3.832 1023 HG21 ILE 138 HG21 ILE 138 -5.600 3.914 -0.465 1024 HG22 ILE 138 HG22 ILE 138 -7.164 3.454 -1.138 1025 HG23 ILE 138 HG23 ILE 138 -5.995 4.320 -2.135 1026 HD11 ILE 138 HD11 ILE 138 -6.042 -0.307 -1.876 1027 HD12 ILE 138 HD12 ILE 138 -5.486 -0.202 -3.546 1028 HD13 ILE 138 HD13 ILE 138 -7.198 -0.423 -3.200 1029 H VAL 139 H VAL 139 -3.156 4.820 -2.434 1030 HA VAL 139 HA VAL 139 -1.684 4.424 0.114 1031 HB VAL 139 HB VAL 139 -0.903 6.185 -2.252 1032 HG11 VAL 139 HG11 VAL 139 1.263 6.380 -0.857 1033 HG12 VAL 139 HG12 VAL 139 0.291 5.805 0.499 1034 HG13 VAL 139 HG13 VAL 139 -0.137 7.304 -0.322 1035 HG21 VAL 139 HG21 VAL 139 0.306 3.621 -1.152 1036 HG22 VAL 139 HG22 VAL 139 1.063 4.634 -2.382 1037 HG23 VAL 139 HG23 VAL 139 -0.467 3.828 -2.725 1038 H ALA 140 H ALA 140 -2.567 5.582 1.703 1039 HA ALA 140 HA ALA 140 -3.828 8.181 1.057 1040 HB1 ALA 140 HB1 ALA 140 -5.731 6.885 1.347 1041 HB2 ALA 140 HB2 ALA 140 -5.473 7.512 2.974 1042 HB3 ALA 140 HB3 ALA 140 -4.979 5.866 2.573 1043 H LYS 141 H LYS 141 -3.539 9.817 2.455 1044 HA LYS 141 HA LYS 141 -1.637 9.368 4.642 1045 HB2 LYS 141 HB2 LYS 141 -1.383 11.145 2.726 1046 HB3 LYS 141 HB3 LYS 141 -2.529 12.075 3.691 1047 HG2 LYS 141 HG2 LYS 141 -0.958 11.589 5.707 1048 HG3 LYS 141 HG3 LYS 141 0.224 11.127 4.483 1049 HD2 LYS 141 HD2 LYS 141 0.692 13.410 4.855 1050 HD3 LYS 141 HD3 LYS 141 -0.290 13.433 3.392 1051 HE2 LYS 141 HE2 LYS 141 -2.276 14.014 4.653 1052 HE3 LYS 141 HE3 LYS 141 -1.417 13.795 6.178 1053 HZ1 LYS 141 HZ1 LYS 141 -1.192 16.026 5.952 1054 HZ2 LYS 141 HZ2 LYS 141 -1.270 15.987 4.256 1055 HZ3 LYS 141 HZ3 LYS 141 0.168 15.563 5.053 1056 H ALA 142 H ALA 142 -2.178 9.719 6.746 1057 HA ALA 142 HA ALA 142 -4.935 10.018 7.478 1058 HB1 ALA 142 HB1 ALA 142 -3.459 8.678 8.855 1059 HB2 ALA 142 HB2 ALA 142 -4.036 10.048 9.802 1060 HB3 ALA 142 HB3 ALA 142 -2.404 10.060 9.136 1061 H SER 143 H SER 143 -5.974 11.895 7.330 1062 HA SER 143 HA SER 143 -4.885 14.262 8.614 1063 HB2 SER 143 HB2 SER 143 -3.908 14.490 6.393 1064 HB3 SER 143 HB3 SER 143 -5.490 14.262 5.654 1065 HG SER 143 HG SER 143 -4.872 16.489 5.890 1066 H ARG 144 H ARG 144 -6.431 15.588 9.379 1067 HA ARG 144 HA ARG 144 -9.080 15.697 8.304 1068 HB2 ARG 144 HB2 ARG 144 -9.030 13.533 9.664 1069 HB3 ARG 144 HB3 ARG 144 -8.890 14.562 11.093 1070 HG2 ARG 144 HG2 ARG 144 -11.007 15.590 10.689 1071 HG3 ARG 144 HG3 ARG 144 -11.081 14.968 9.042 1072 HD2 ARG 144 HD2 ARG 144 -10.882 12.874 11.164 1073 HD3 ARG 144 HD3 ARG 144 -12.354 13.824 11.160 1074 HE ARG 144 HE ARG 144 -12.888 12.996 9.014 1075 HH11 ARG 144 HH11 ARG 144 -9.798 11.709 10.115 1076 HH12 ARG 144 HH12 ARG 144 -9.782 10.439 8.943 1077 HH21 ARG 144 HH21 ARG 144 -12.816 11.318 7.511 1078 HH22 ARG 144 HH22 ARG 144 -11.477 10.220 7.477 1079 H THR 145 H THR 145 -10.097 17.546 8.874 1080 HA THR 145 HA THR 145 -9.450 19.001 11.267 1081 HB THR 145 HB THR 145 -7.500 19.628 9.910 1082 HG1 THR 145 HG1 THR 145 -9.328 21.782 9.888 1083 HG21 THR 145 HG21 THR 145 -7.601 20.474 7.742 1084 HG22 THR 145 HG22 THR 145 -9.276 20.988 7.903 1085 HG23 THR 145 HG23 THR 145 -8.896 19.280 7.694 1086 H GLU 146 H GLU 146 -11.794 18.275 11.074 1087 HA GLU 146 HA GLU 146 -13.616 19.528 9.332 1088 HB2 GLU 146 HB2 GLU 146 -14.061 17.514 10.767 1089 HB3 GLU 146 HB3 GLU 146 -14.183 18.603 12.152 1090 HG2 GLU 146 HG2 GLU 146 -15.842 19.088 9.668 1091 HG3 GLU 146 HG3 GLU 146 -16.376 17.952 10.899 1092 H LEU 147 H LEU 147 -12.374 20.454 12.502 1093 HA LEU 147 HA LEU 147 -14.036 22.675 12.976 1094 HB2 LEU 147 HB2 LEU 147 -11.231 22.055 13.918 1095 HB3 LEU 147 HB3 LEU 147 -12.201 23.393 14.531 1096 HG LEU 147 HG LEU 147 -13.157 20.516 14.564 1097 HD11 LEU 147 HD11 LEU 147 -12.425 20.355 16.847 1098 HD12 LEU 147 HD12 LEU 147 -11.999 22.066 16.900 1099 HD13 LEU 147 HD13 LEU 147 -11.041 20.948 15.929 1100 HD21 LEU 147 HD21 LEU 147 -14.654 21.498 16.391 1101 HD22 LEU 147 HD22 LEU 147 -14.979 22.099 14.765 1102 HD23 LEU 147 HD23 LEU 147 -14.069 23.090 15.906 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 10.113 9.314 11.421 2 H2 GLY 1 HT2 GLY 1 11.129 7.960 11.281 3 H3 GLY 1 HT3 GLY 1 10.787 8.916 9.918 4 HA2 GLY 1 HA2 GLY 1 11.817 10.812 11.345 5 HA3 GLY 1 HA3 GLY 1 12.587 9.454 12.169 6 H SER 2 H SER 2 14.660 9.710 11.434 7 HA SER 2 HA SER 2 15.110 9.730 8.518 8 HB2 SER 2 HB2 SER 2 16.949 10.411 10.820 9 HB3 SER 2 HB3 SER 2 17.442 10.369 9.132 10 HG SER 2 HG SER 2 15.666 12.107 10.463 11 H LYS 3 H LYS 3 15.217 7.725 7.745 12 HA LYS 3 HA LYS 3 15.611 5.458 7.615 13 HB2 LYS 3 HB2 LYS 3 17.771 6.767 6.978 14 HB3 LYS 3 HB3 LYS 3 18.414 6.132 8.495 15 HG2 LYS 3 HG2 LYS 3 19.061 4.555 6.814 16 HG3 LYS 3 HG3 LYS 3 17.700 3.813 7.660 17 HD2 LYS 3 HD2 LYS 3 16.164 4.501 5.879 18 HD3 LYS 3 HD3 LYS 3 17.463 5.371 5.062 19 HE2 LYS 3 HE2 LYS 3 18.688 3.255 4.753 20 HE3 LYS 3 HE3 LYS 3 17.396 2.383 5.576 21 HZ1 LYS 3 HZ1 LYS 3 15.933 3.555 3.785 22 HZ2 LYS 3 HZ2 LYS 3 16.784 2.135 3.403 23 HZ3 LYS 3 HZ3 LYS 3 17.393 3.648 2.927 24 H GLY 4 H GLY 4 14.680 6.263 10.275 25 HA2 GLY 4 HA2 GLY 4 15.555 3.886 11.754 26 HA3 GLY 4 HA3 GLY 4 15.732 5.445 12.556 27 H THR 5 H THR 5 14.086 3.300 13.490 28 HA THR 5 HA THR 5 12.028 2.932 14.396 29 HB THR 5 HB THR 5 11.234 5.714 13.501 30 HG1 THR 5 HG1 THR 5 13.207 5.802 14.630 31 HG21 THR 5 HG21 THR 5 9.387 4.487 14.372 32 HG22 THR 5 HG22 THR 5 9.936 5.527 15.687 33 HG23 THR 5 HG23 THR 5 10.360 3.815 15.680 34 H VAL 6 H VAL 6 11.130 1.390 13.192 35 HA VAL 6 HA VAL 6 9.693 2.228 10.764 36 HB VAL 6 HB VAL 6 10.215 0.017 9.775 37 HG11 VAL 6 HG11 VAL 6 12.581 1.684 10.664 38 HG12 VAL 6 HG12 VAL 6 11.621 1.908 9.202 39 HG13 VAL 6 HG13 VAL 6 12.638 0.478 9.379 40 HG21 VAL 6 HG21 VAL 6 12.140 -0.303 12.107 41 HG22 VAL 6 HG22 VAL 6 11.849 -1.457 10.807 42 HG23 VAL 6 HG23 VAL 6 10.592 -1.144 12.003 43 H SER 7 H SER 7 7.876 0.883 10.156 44 HA SER 7 HA SER 7 6.535 -0.369 12.476 45 HB2 SER 7 HB2 SER 7 5.382 1.667 11.817 46 HB3 SER 7 HB3 SER 7 5.355 1.146 10.138 47 HG SER 7 HG SER 7 3.795 -0.243 10.592 48 H GLU 8 H GLU 8 5.876 -2.425 12.264 49 HA GLU 8 HA GLU 8 6.727 -3.913 9.990 50 HB2 GLU 8 HB2 GLU 8 6.788 -4.834 12.280 51 HB3 GLU 8 HB3 GLU 8 5.024 -4.787 12.340 52 HG2 GLU 8 HG2 GLU 8 4.896 -6.361 10.454 53 HG3 GLU 8 HG3 GLU 8 6.653 -6.382 10.329 54 HA PRO 9 HA PRO 9 2.789 -3.157 7.673 55 HB2 PRO 9 HB2 PRO 9 3.937 -5.238 5.878 56 HB3 PRO 9 HB3 PRO 9 3.325 -3.616 5.487 57 HG2 PRO 9 HG2 PRO 9 5.909 -4.083 5.456 58 HG3 PRO 9 HG3 PRO 9 5.283 -2.572 6.148 59 HD2 PRO 9 HD2 PRO 9 6.242 -5.033 7.589 60 HD3 PRO 9 HD3 PRO 9 6.561 -3.318 7.956 61 H THR 10 H THR 10 0.863 -4.266 7.480 62 HA THR 10 HA THR 10 0.779 -6.976 8.653 63 HB THR 10 HB THR 10 -1.395 -4.865 8.463 64 HG1 THR 10 HG1 THR 10 -0.367 -4.156 10.143 65 HG21 THR 10 HG21 THR 10 -2.673 -6.360 9.942 66 HG22 THR 10 HG22 THR 10 -1.351 -7.527 9.922 67 HG23 THR 10 HG23 THR 10 -2.258 -7.199 8.446 68 H THR 11 H THR 11 0.210 -8.624 7.375 69 HA THR 11 HA THR 11 -1.055 -8.035 4.766 70 HB THR 11 HB THR 11 0.944 -10.228 5.432 71 HG1 THR 11 HG1 THR 11 2.205 -8.556 5.167 72 HG21 THR 11 HG21 THR 11 0.161 -9.450 2.641 73 HG22 THR 11 HG22 THR 11 -0.901 -10.537 3.535 74 HG23 THR 11 HG23 THR 11 0.775 -10.987 3.239 75 H VAL 12 H VAL 12 -2.966 -8.972 4.368 76 HA VAL 12 HA VAL 12 -3.690 -11.408 5.873 77 HB VAL 12 HB VAL 12 -5.488 -8.979 5.532 78 HG11 VAL 12 HG11 VAL 12 -7.035 -10.344 7.032 79 HG12 VAL 12 HG12 VAL 12 -6.010 -11.738 6.690 80 HG13 VAL 12 HG13 VAL 12 -6.880 -10.940 5.379 81 HG21 VAL 12 HG21 VAL 12 -5.412 -9.141 8.108 82 HG22 VAL 12 HG22 VAL 12 -3.951 -8.560 7.315 83 HG23 VAL 12 HG23 VAL 12 -4.042 -10.225 7.884 84 H ALA 13 H ALA 13 -4.555 -12.990 4.692 85 HA ALA 13 HA ALA 13 -5.083 -12.508 1.849 86 HB1 ALA 13 HB1 ALA 13 -4.793 -15.096 3.389 87 HB2 ALA 13 HB2 ALA 13 -3.556 -14.339 2.386 88 HB3 ALA 13 HB3 ALA 13 -5.027 -14.968 1.646 89 H PHE 14 H PHE 14 -6.997 -13.228 0.807 90 HA PHE 14 HA PHE 14 -9.233 -14.029 2.513 91 HB2 PHE 14 HB2 PHE 14 -10.721 -12.292 1.636 92 HB3 PHE 14 HB3 PHE 14 -9.340 -11.556 2.443 93 HD1 PHE 14 HD1 PHE 14 -11.004 -12.152 -0.779 94 HD2 PHE 14 HD2 PHE 14 -7.562 -10.434 1.134 95 HE1 PHE 14 HE1 PHE 14 -10.472 -10.907 -2.856 96 HE2 PHE 14 HE2 PHE 14 -7.032 -9.190 -0.950 97 HZ PHE 14 HZ PHE 14 -8.486 -9.424 -2.939 98 H ASP 15 H ASP 15 -11.106 -14.812 1.272 99 HA ASP 15 HA ASP 15 -10.204 -16.119 -1.204 100 HB2 ASP 15 HB2 ASP 15 -12.551 -16.819 0.577 101 HB3 ASP 15 HB3 ASP 15 -11.940 -17.763 -0.782 102 H VAL 16 H VAL 16 -11.057 -15.633 -3.096 103 HA VAL 16 HA VAL 16 -13.384 -13.837 -3.234 104 HB VAL 16 HB VAL 16 -11.419 -14.715 -5.391 105 HG11 VAL 16 HG11 VAL 16 -13.814 -12.876 -5.421 106 HG12 VAL 16 HG12 VAL 16 -13.435 -14.195 -6.523 107 HG13 VAL 16 HG13 VAL 16 -12.512 -12.696 -6.600 108 HG21 VAL 16 HG21 VAL 16 -11.742 -12.027 -4.011 109 HG22 VAL 16 HG22 VAL 16 -10.523 -12.450 -5.213 110 HG23 VAL 16 HG23 VAL 16 -10.483 -13.199 -3.617 111 H ARG 17 H ARG 17 -15.276 -14.796 -3.375 112 HA ARG 17 HA ARG 17 -15.472 -17.405 -4.734 113 HB2 ARG 17 HB2 ARG 17 -17.074 -16.328 -2.410 114 HB3 ARG 17 HB3 ARG 17 -17.401 -17.855 -3.235 115 HG2 ARG 17 HG2 ARG 17 -15.200 -18.720 -2.642 116 HG3 ARG 17 HG3 ARG 17 -14.731 -17.161 -1.947 117 HD2 ARG 17 HD2 ARG 17 -15.374 -18.740 -0.186 118 HD3 ARG 17 HD3 ARG 17 -16.486 -17.382 -0.233 119 HE ARG 17 HE ARG 17 -17.042 -20.140 -1.175 120 HH11 ARG 17 HH11 ARG 17 -18.282 -16.914 -0.416 121 HH12 ARG 17 HH12 ARG 17 -19.930 -17.422 -0.477 122 HH21 ARG 17 HH21 ARG 17 -19.217 -20.727 -1.235 123 HH22 ARG 17 HH22 ARG 17 -20.457 -19.555 -0.937 124 HA PRO 18 HA PRO 18 -18.083 -14.750 -7.448 125 HB2 PRO 18 HB2 PRO 18 -18.198 -16.319 -9.583 126 HB3 PRO 18 HB3 PRO 18 -16.700 -15.468 -9.161 127 HG2 PRO 18 HG2 PRO 18 -17.460 -18.308 -8.597 128 HG3 PRO 18 HG3 PRO 18 -15.952 -17.681 -9.291 129 HD2 PRO 18 HD2 PRO 18 -16.155 -18.315 -6.668 130 HD3 PRO 18 HD3 PRO 18 -15.143 -16.959 -7.227 131 H GLY 19 H GLY 19 -20.155 -15.132 -8.704 132 HA2 GLY 19 HA2 GLY 19 -21.918 -17.068 -8.901 133 HA3 GLY 19 HA3 GLY 19 -21.955 -16.870 -7.151 134 H GLY 20 H GLY 20 -21.447 -14.031 -9.125 135 HA2 GLY 20 HA2 GLY 20 -22.763 -12.227 -9.655 136 HA3 GLY 20 HA3 GLY 20 -24.168 -13.280 -9.506 137 H VAL 21 H VAL 21 -21.919 -12.912 -6.849 138 HA VAL 21 HA VAL 21 -23.942 -11.339 -5.361 139 HB VAL 21 HB VAL 21 -21.974 -13.380 -4.273 140 HG11 VAL 21 HG11 VAL 21 -23.325 -13.120 -2.165 141 HG12 VAL 21 HG12 VAL 21 -24.151 -11.756 -2.919 142 HG13 VAL 21 HG13 VAL 21 -22.416 -11.675 -2.609 143 HG21 VAL 21 HG21 VAL 21 -24.970 -13.516 -4.761 144 HG22 VAL 21 HG22 VAL 21 -24.104 -14.668 -3.746 145 HG23 VAL 21 HG23 VAL 21 -23.727 -14.550 -5.465 146 H VAL 22 H VAL 22 -23.329 -9.442 -4.599 147 HA VAL 22 HA VAL 22 -20.675 -8.436 -5.102 148 HB VAL 22 HB VAL 22 -22.986 -7.187 -3.560 149 HG11 VAL 22 HG11 VAL 22 -20.455 -5.939 -4.694 150 HG12 VAL 22 HG12 VAL 22 -20.824 -6.146 -2.982 151 HG13 VAL 22 HG13 VAL 22 -21.790 -5.046 -3.965 152 HG21 VAL 22 HG21 VAL 22 -23.515 -7.663 -5.941 153 HG22 VAL 22 HG22 VAL 22 -22.068 -6.780 -6.430 154 HG23 VAL 22 HG23 VAL 22 -23.396 -5.929 -5.641 155 H HIS 23 H HIS 23 -19.004 -8.759 -3.871 156 HA HIS 23 HA HIS 23 -19.387 -9.384 -1.004 157 HB2 HIS 23 HB2 HIS 23 -17.149 -10.187 -2.867 158 HB3 HIS 23 HB3 HIS 23 -17.199 -10.529 -1.140 159 HD2 HIS 23 HD2 HIS 23 -18.344 -12.164 -4.381 160 HE1 HIS 23 HE1 HIS 23 -20.709 -13.908 -1.354 161 HE2 HIS 23 HE2 HIS 23 -20.008 -14.083 -3.787 162 H SER 24 H SER 24 -18.337 -8.276 0.502 163 HA SER 24 HA SER 24 -16.568 -6.069 -0.375 164 HB2 SER 24 HB2 SER 24 -18.491 -6.128 1.960 165 HB3 SER 24 HB3 SER 24 -17.384 -4.812 1.581 166 HG SER 24 HG SER 24 -19.424 -5.845 -0.116 167 H PHE 25 H PHE 25 -14.585 -6.092 0.391 168 HA PHE 25 HA PHE 25 -14.001 -7.559 2.895 169 HB2 PHE 25 HB2 PHE 25 -12.329 -7.513 0.370 170 HB3 PHE 25 HB3 PHE 25 -11.793 -8.176 1.916 171 HD1 PHE 25 HD1 PHE 25 -14.009 -8.641 -0.971 172 HD2 PHE 25 HD2 PHE 25 -12.827 -10.200 2.851 173 HE1 PHE 25 HE1 PHE 25 -15.150 -10.781 -1.491 174 HE2 PHE 25 HE2 PHE 25 -13.966 -12.340 2.333 175 HZ PHE 25 HZ PHE 25 -15.128 -12.632 0.161 176 H SER 26 H SER 26 -12.506 -6.620 4.269 177 HA SER 26 HA SER 26 -11.173 -4.152 3.476 178 HB2 SER 26 HB2 SER 26 -12.184 -2.789 5.193 179 HB3 SER 26 HB3 SER 26 -13.451 -3.457 4.165 180 HG SER 26 HG SER 26 -14.132 -3.886 6.188 181 H HIS 27 H HIS 27 -9.824 -3.276 5.227 182 HA HIS 27 HA HIS 27 -9.099 -5.142 7.345 183 HB2 HIS 27 HB2 HIS 27 -7.783 -5.797 5.291 184 HB3 HIS 27 HB3 HIS 27 -7.011 -4.209 5.368 185 HD2 HIS 27 HD2 HIS 27 -6.825 -7.654 7.171 186 HE1 HIS 27 HE1 HIS 27 -4.185 -5.043 9.180 187 HE2 HIS 27 HE2 HIS 27 -4.941 -7.457 8.968 188 H ASN 28 H ASN 28 -8.003 -4.198 9.036 189 HA ASN 28 HA ASN 28 -7.247 -1.383 8.898 190 HB2 ASN 28 HB2 ASN 28 -8.665 -0.724 10.755 191 HB3 ASN 28 HB3 ASN 28 -9.664 -1.371 9.454 192 HD21 ASN 28 HD21 ASN 28 -10.540 -1.294 12.205 193 HD22 ASN 28 HD22 ASN 28 -10.712 -2.894 12.747 194 H VAL 29 H VAL 29 -6.278 -0.661 10.992 195 HA VAL 29 HA VAL 29 -4.965 -2.897 12.421 196 HB VAL 29 HB VAL 29 -2.922 -1.487 12.574 197 HG11 VAL 29 HG11 VAL 29 -3.820 -1.965 9.720 198 HG12 VAL 29 HG12 VAL 29 -3.237 -3.227 10.805 199 HG13 VAL 29 HG13 VAL 29 -2.159 -1.921 10.313 200 HG21 VAL 29 HG21 VAL 29 -2.712 0.597 11.520 201 HG22 VAL 29 HG22 VAL 29 -4.405 0.672 11.997 202 HG23 VAL 29 HG23 VAL 29 -3.981 0.265 10.343 203 H GLY 30 H GLY 30 -4.266 -2.426 14.596 204 HA2 GLY 30 HA2 GLY 30 -6.271 -1.258 16.152 205 HA3 GLY 30 HA3 GLY 30 -4.664 -1.682 16.739 206 HA PRO 31 HA PRO 31 -3.246 2.612 16.854 207 HB2 PRO 31 HB2 PRO 31 -1.811 2.504 14.233 208 HB3 PRO 31 HB3 PRO 31 -1.204 2.980 15.836 209 HG2 PRO 31 HG2 PRO 31 -0.498 0.671 14.833 210 HG3 PRO 31 HG3 PRO 31 -0.964 0.783 16.544 211 HD2 PRO 31 HD2 PRO 31 -2.589 -0.245 14.230 212 HD3 PRO 31 HD3 PRO 31 -2.410 -0.923 15.870 213 H GLY 32 H GLY 32 -4.032 1.718 13.527 214 HA2 GLY 32 HA2 GLY 32 -5.338 4.287 12.973 215 HA3 GLY 32 HA3 GLY 32 -4.994 3.019 11.797 216 H ASP 33 H ASP 33 -6.833 3.297 14.858 217 HA ASP 33 HA ASP 33 -8.716 1.295 14.227 218 HB2 ASP 33 HB2 ASP 33 -10.025 2.201 16.111 219 HB3 ASP 33 HB3 ASP 33 -8.318 2.003 16.501 220 H LYS 34 H LYS 34 -8.691 4.741 13.570 221 HA LYS 34 HA LYS 34 -11.440 4.706 12.576 222 HB2 LYS 34 HB2 LYS 34 -9.406 6.925 12.799 223 HB3 LYS 34 HB3 LYS 34 -11.048 7.131 12.178 224 HG2 LYS 34 HG2 LYS 34 -11.948 6.268 14.296 225 HG3 LYS 34 HG3 LYS 34 -10.310 6.103 14.929 226 HD2 LYS 34 HD2 LYS 34 -9.934 8.510 14.667 227 HD3 LYS 34 HD3 LYS 34 -11.561 8.710 14.007 228 HE2 LYS 34 HE2 LYS 34 -11.567 9.308 16.381 229 HE3 LYS 34 HE3 LYS 34 -12.504 7.834 16.140 230 HZ1 LYS 34 HZ1 LYS 34 -9.635 7.775 16.867 231 HZ2 LYS 34 HZ2 LYS 34 -10.773 6.519 16.972 232 HZ3 LYS 34 HZ3 LYS 34 -10.857 7.837 18.040 233 H TYR 35 H TYR 35 -8.504 3.852 11.278 234 HA TYR 35 HA TYR 35 -9.224 4.807 8.557 235 HB2 TYR 35 HB2 TYR 35 -6.528 3.945 9.637 236 HB3 TYR 35 HB3 TYR 35 -6.842 4.448 7.975 237 HD1 TYR 35 HD1 TYR 35 -6.465 5.553 11.447 238 HD2 TYR 35 HD2 TYR 35 -7.499 6.791 7.466 239 HE1 TYR 35 HE1 TYR 35 -6.245 7.926 12.129 240 HE2 TYR 35 HE2 TYR 35 -7.277 9.167 8.151 241 HH TYR 35 HH TYR 35 -7.482 10.319 10.877 242 H THR 36 H THR 36 -10.090 3.379 7.243 243 HA THR 36 HA THR 36 -9.248 0.554 7.365 244 HB THR 36 HB THR 36 -12.122 1.517 7.210 245 HG1 THR 36 HG1 THR 36 -12.258 0.934 9.277 246 HG21 THR 36 HG21 THR 36 -12.631 -0.922 7.482 247 HG22 THR 36 HG22 THR 36 -10.914 -1.263 7.259 248 HG23 THR 36 HG23 THR 36 -11.847 -0.535 5.950 249 H CYS 37 H CYS 37 -8.960 -0.415 5.412 250 HA CYS 37 HA CYS 37 -9.615 1.119 2.971 251 HB2 CYS 37 HB2 CYS 37 -7.734 -1.236 3.353 252 HB3 CYS 37 HB3 CYS 37 -8.069 -0.450 1.810 253 H MET 38 H MET 38 -11.047 0.340 1.496 254 HA MET 38 HA MET 38 -12.292 -2.284 2.062 255 HB2 MET 38 HB2 MET 38 -13.625 0.258 1.161 256 HB3 MET 38 HB3 MET 38 -14.413 -1.319 1.213 257 HG2 MET 38 HG2 MET 38 -13.911 -1.488 3.621 258 HG3 MET 38 HG3 MET 38 -13.169 0.110 3.577 259 HE1 MET 38 HE1 MET 38 -15.861 -0.938 5.422 260 HE2 MET 38 HE2 MET 38 -16.410 0.731 5.543 261 HE3 MET 38 HE3 MET 38 -14.686 0.377 5.584 262 H PHE 39 H PHE 39 -12.975 -3.522 0.411 263 HA PHE 39 HA PHE 39 -12.382 -2.688 -2.335 264 HB2 PHE 39 HB2 PHE 39 -10.435 -4.003 -1.406 265 HB3 PHE 39 HB3 PHE 39 -11.522 -5.363 -1.190 266 HD1 PHE 39 HD1 PHE 39 -9.435 -6.214 -2.696 267 HD2 PHE 39 HD2 PHE 39 -12.621 -3.739 -4.171 268 HE1 PHE 39 HE1 PHE 39 -8.944 -6.948 -5.011 269 HE2 PHE 39 HE2 PHE 39 -12.127 -4.474 -6.474 270 HZ PHE 39 HZ PHE 39 -10.288 -6.081 -6.900 271 H THR 40 H THR 40 -14.346 -2.804 -3.282 272 HA THR 40 HA THR 40 -16.080 -5.140 -2.681 273 HB THR 40 HB THR 40 -17.892 -3.679 -3.682 274 HG1 THR 40 HG1 THR 40 -17.468 -1.605 -4.029 275 HG21 THR 40 HG21 THR 40 -16.563 -2.589 -1.193 276 HG22 THR 40 HG22 THR 40 -17.521 -4.071 -1.238 277 HG23 THR 40 HG23 THR 40 -18.279 -2.521 -1.602 278 H TYR 41 H TYR 41 -16.943 -6.355 -4.331 279 HA TYR 41 HA TYR 41 -16.634 -5.585 -7.086 280 HB2 TYR 41 HB2 TYR 41 -15.141 -7.420 -7.773 281 HB3 TYR 41 HB3 TYR 41 -14.339 -6.302 -6.677 282 HD1 TYR 41 HD1 TYR 41 -15.773 -9.671 -7.043 283 HD2 TYR 41 HD2 TYR 41 -13.780 -6.953 -4.386 284 HE1 TYR 41 HE1 TYR 41 -15.286 -11.542 -5.498 285 HE2 TYR 41 HE2 TYR 41 -13.288 -8.825 -2.838 286 HH TYR 41 HH TYR 41 -13.148 -11.167 -2.768 287 H ALA 42 H ALA 42 -17.434 -7.188 -8.608 288 HA ALA 42 HA ALA 42 -19.127 -9.300 -7.469 289 HB1 ALA 42 HB1 ALA 42 -20.123 -7.301 -9.517 290 HB2 ALA 42 HB2 ALA 42 -20.556 -7.277 -7.809 291 HB3 ALA 42 HB3 ALA 42 -21.035 -8.640 -8.820 292 H SER 43 H SER 43 -19.183 -11.138 -8.714 293 HA SER 43 HA SER 43 -18.253 -11.072 -11.483 294 HB2 SER 43 HB2 SER 43 -16.182 -11.211 -10.168 295 HB3 SER 43 HB3 SER 43 -16.838 -12.638 -9.364 296 HG SER 43 HG SER 43 -15.545 -13.283 -11.083 297 H GLN 44 H GLN 44 -18.414 -13.116 -12.541 298 HA GLN 44 HA GLN 44 -20.355 -14.956 -11.306 299 HB2 GLN 44 HB2 GLN 44 -21.287 -13.625 -13.199 300 HB3 GLN 44 HB3 GLN 44 -20.043 -14.299 -14.244 301 HG2 GLN 44 HG2 GLN 44 -22.104 -15.579 -14.537 302 HG3 GLN 44 HG3 GLN 44 -20.887 -16.586 -13.744 303 HE21 GLN 44 HE21 GLN 44 -23.543 -14.310 -12.801 304 HE22 GLN 44 HE22 GLN 44 -24.060 -15.242 -11.480 305 H GLY 45 H GLY 45 -19.721 -16.990 -11.111 306 HA2 GLY 45 HA2 GLY 45 -18.298 -18.594 -12.862 307 HA3 GLY 45 HA3 GLY 45 -17.092 -17.866 -11.798 308 H GLY 46 H GLY 46 -17.215 -20.520 -11.639 309 HA2 GLY 46 HA2 GLY 46 -18.785 -21.077 -9.184 310 HA3 GLY 46 HA3 GLY 46 -18.485 -22.294 -10.423 311 H THR 47 H THR 47 -15.718 -20.393 -10.040 312 HA THR 47 HA THR 47 -14.560 -22.259 -8.049 313 HB THR 47 HB THR 47 -13.180 -21.144 -10.515 314 HG1 THR 47 HG1 THR 47 -14.129 -23.736 -9.851 315 HG21 THR 47 HG21 THR 47 -12.268 -22.987 -8.291 316 HG22 THR 47 HG22 THR 47 -11.539 -21.462 -8.795 317 HG23 THR 47 HG23 THR 47 -11.434 -22.878 -9.841 318 H ASN 48 H ASN 48 -13.572 -21.348 -6.359 319 HA ASN 48 HA ASN 48 -13.542 -18.488 -6.145 320 HB2 ASN 48 HB2 ASN 48 -12.936 -18.826 -3.829 321 HB3 ASN 48 HB3 ASN 48 -14.194 -19.986 -4.251 322 HD21 ASN 48 HD21 ASN 48 -12.594 -20.572 -2.039 323 HD22 ASN 48 HD22 ASN 48 -11.534 -21.846 -2.402 324 H GLU 49 H GLU 49 -11.458 -17.611 -4.878 325 HA GLU 49 HA GLU 49 -8.975 -18.585 -6.062 326 HB2 GLU 49 HB2 GLU 49 -9.990 -16.994 -7.700 327 HB3 GLU 49 HB3 GLU 49 -9.913 -15.744 -6.459 328 HG2 GLU 49 HG2 GLU 49 -7.978 -15.568 -7.945 329 HG3 GLU 49 HG3 GLU 49 -7.448 -16.045 -6.334 330 H GLN 50 H GLN 50 -7.114 -17.811 -5.060 331 HA GLN 50 HA GLN 50 -7.560 -16.742 -2.352 332 HB2 GLN 50 HB2 GLN 50 -5.232 -18.263 -3.544 333 HB3 GLN 50 HB3 GLN 50 -5.253 -17.602 -1.907 334 HG2 GLN 50 HG2 GLN 50 -7.190 -18.962 -1.331 335 HG3 GLN 50 HG3 GLN 50 -7.315 -19.541 -2.990 336 HE21 GLN 50 HE21 GLN 50 -6.708 -21.003 -0.343 337 HE22 GLN 50 HE22 GLN 50 -5.294 -21.879 -0.680 338 H TRP 51 H TRP 51 -6.989 -14.741 -1.883 339 HA TRP 51 HA TRP 51 -5.011 -13.322 -3.570 340 HB2 TRP 51 HB2 TRP 51 -7.632 -12.308 -2.477 341 HB3 TRP 51 HB3 TRP 51 -6.383 -11.257 -3.141 342 HD1 TRP 51 HD1 TRP 51 -8.478 -14.319 -4.213 343 HE1 TRP 51 HE1 TRP 51 -8.927 -14.124 -6.753 344 HE3 TRP 51 HE3 TRP 51 -5.807 -10.102 -5.272 345 HZ2 TRP 51 HZ2 TRP 51 -8.248 -12.412 -8.929 346 HZ3 TRP 51 HZ3 TRP 51 -5.728 -9.206 -7.584 347 HH2 TRP 51 HH2 TRP 51 -6.947 -10.360 -9.412 348 H GLN 52 H GLN 52 -3.666 -11.840 -2.547 349 HA GLN 52 HA GLN 52 -3.712 -11.888 0.414 350 HB2 GLN 52 HB2 GLN 52 -1.332 -11.758 -1.448 351 HB3 GLN 52 HB3 GLN 52 -1.243 -11.404 0.272 352 HG2 GLN 52 HG2 GLN 52 -0.732 -13.658 0.329 353 HG3 GLN 52 HG3 GLN 52 -2.474 -13.764 0.514 354 HE21 GLN 52 HE21 GLN 52 -0.982 -15.934 -0.554 355 HE22 GLN 52 HE22 GLN 52 -1.374 -16.116 -2.196 356 H MET 53 H MET 53 -3.354 -10.032 1.544 357 HA MET 53 HA MET 53 -3.480 -7.510 0.002 358 HB2 MET 53 HB2 MET 53 -4.683 -8.094 2.725 359 HB3 MET 53 HB3 MET 53 -4.761 -6.564 1.848 360 HG2 MET 53 HG2 MET 53 -6.022 -7.658 0.029 361 HG3 MET 53 HG3 MET 53 -5.907 -9.196 0.869 362 HE1 MET 53 HE1 MET 53 -7.789 -5.422 2.540 363 HE2 MET 53 HE2 MET 53 -8.214 -5.727 0.863 364 HE3 MET 53 HE3 MET 53 -6.522 -5.593 1.318 365 H SER 54 H SER 54 -2.201 -5.836 0.689 366 HA SER 54 HA SER 54 -0.527 -6.228 3.071 367 HB2 SER 54 HB2 SER 54 0.879 -7.017 1.265 368 HB3 SER 54 HB3 SER 54 0.540 -5.571 0.319 369 HG SER 54 HG SER 54 2.545 -5.784 1.781 370 H LEU 55 H LEU 55 -0.621 -4.498 4.307 371 HA LEU 55 HA LEU 55 -0.783 -1.844 3.071 372 HB2 LEU 55 HB2 LEU 55 -2.583 -1.145 4.587 373 HB3 LEU 55 HB3 LEU 55 -3.114 -2.415 3.486 374 HG LEU 55 HG LEU 55 -2.029 -3.214 6.201 375 HD11 LEU 55 HD11 LEU 55 -4.949 -2.527 5.847 376 HD12 LEU 55 HD12 LEU 55 -3.789 -1.338 6.438 377 HD13 LEU 55 HD13 LEU 55 -4.054 -2.831 7.337 378 HD21 LEU 55 HD21 LEU 55 -2.529 -5.075 4.793 379 HD22 LEU 55 HD22 LEU 55 -4.002 -4.325 4.183 380 HD23 LEU 55 HD23 LEU 55 -3.948 -4.945 5.830 381 H GLY 56 H GLY 56 -0.104 -0.136 4.375 382 HA2 GLY 56 HA2 GLY 56 1.048 -0.742 6.997 383 HA3 GLY 56 HA3 GLY 56 2.146 -0.165 5.741 384 H THR 57 H THR 57 1.580 1.169 8.208 385 HA THR 57 HA THR 57 0.361 3.662 7.191 386 HB THR 57 HB THR 57 -0.537 4.085 9.438 387 HG1 THR 57 HG1 THR 57 -0.316 2.564 11.027 388 HG21 THR 57 HG21 THR 57 -1.397 1.290 8.702 389 HG22 THR 57 HG22 THR 57 -1.787 2.658 7.662 390 HG23 THR 57 HG23 THR 57 -2.381 2.614 9.323 391 H SER 58 H SER 58 1.198 5.593 8.115 392 HA SER 58 HA SER 58 4.022 5.584 8.536 393 HB2 SER 58 HB2 SER 58 2.939 7.492 7.482 394 HB3 SER 58 HB3 SER 58 1.969 7.771 8.928 395 HG SER 58 HG SER 58 4.751 8.070 8.527 396 H GLU 59 H GLU 59 5.178 6.182 10.441 397 HA GLU 59 HA GLU 59 4.335 4.942 12.812 398 HB2 GLU 59 HB2 GLU 59 6.245 6.061 13.888 399 HB3 GLU 59 HB3 GLU 59 6.703 5.408 12.316 400 HG2 GLU 59 HG2 GLU 59 6.370 7.659 11.302 401 HG3 GLU 59 HG3 GLU 59 5.977 8.304 12.895 402 H ASP 60 H ASP 60 3.765 8.164 11.624 403 HA ASP 60 HA ASP 60 2.508 8.999 14.155 404 HB2 ASP 60 HB2 ASP 60 3.168 10.609 11.680 405 HB3 ASP 60 HB3 ASP 60 2.441 11.249 13.156 406 H HIS 61 H HIS 61 1.591 7.326 11.484 407 HA HIS 61 HA HIS 61 -0.409 6.768 10.536 408 HB2 HIS 61 HB2 HIS 61 -1.691 8.538 12.652 409 HB3 HIS 61 HB3 HIS 61 -2.481 7.276 11.711 410 HD2 HIS 61 HD2 HIS 61 0.486 5.329 12.493 411 HE1 HIS 61 HE1 HIS 61 -1.548 5.245 16.194 412 HE2 HIS 61 HE2 HIS 61 0.297 4.164 14.823 413 H GLN 62 H GLN 62 1.103 9.347 9.896 414 HA GLN 62 HA GLN 62 -0.858 11.252 9.039 415 HB2 GLN 62 HB2 GLN 62 1.043 12.394 7.937 416 HB3 GLN 62 HB3 GLN 62 1.371 12.023 9.632 417 HG2 GLN 62 HG2 GLN 62 2.671 10.071 8.997 418 HG3 GLN 62 HG3 GLN 62 2.266 10.311 7.299 419 HE21 GLN 62 HE21 GLN 62 4.731 10.815 9.481 420 HE22 GLN 62 HE22 GLN 62 5.483 12.149 8.750 421 H HIS 63 H HIS 63 0.682 8.478 7.574 422 HA HIS 63 HA HIS 63 -0.939 8.938 5.163 423 HB2 HIS 63 HB2 HIS 63 1.946 8.031 5.174 424 HB3 HIS 63 HB3 HIS 63 0.886 7.995 3.763 425 HD2 HIS 63 HD2 HIS 63 3.337 10.409 5.318 426 HE1 HIS 63 HE1 HIS 63 0.664 12.803 3.104 427 HE2 HIS 63 HE2 HIS 63 2.891 12.778 4.323 428 H PHE 64 H PHE 64 -1.886 7.216 4.254 429 HA PHE 64 HA PHE 64 -1.455 4.556 5.485 430 HB2 PHE 64 HB2 PHE 64 -4.076 5.856 4.717 431 HB3 PHE 64 HB3 PHE 64 -3.902 4.156 5.157 432 HD1 PHE 64 HD1 PHE 64 -3.608 7.642 6.384 433 HD2 PHE 64 HD2 PHE 64 -3.581 3.484 7.443 434 HE1 PHE 64 HE1 PHE 64 -3.763 8.245 8.787 435 HE2 PHE 64 HE2 PHE 64 -3.734 4.091 9.840 436 HZ PHE 64 HZ PHE 64 -3.826 6.474 10.511 437 H THR 65 H THR 65 -1.383 2.824 4.105 438 HA THR 65 HA THR 65 -2.117 3.226 1.289 439 HB THR 65 HB THR 65 0.278 3.704 1.364 440 HG1 THR 65 HG1 THR 65 -0.486 2.584 -0.425 441 HG21 THR 65 HG21 THR 65 0.817 2.435 3.422 442 HG22 THR 65 HG22 THR 65 1.893 2.001 2.094 443 HG23 THR 65 HG23 THR 65 0.571 0.924 2.545 444 H CYS 66 H CYS 66 -3.028 1.496 0.325 445 HA CYS 66 HA CYS 66 -2.807 -1.129 1.634 446 HB2 CYS 66 HB2 CYS 66 -5.395 0.175 0.754 447 HB3 CYS 66 HB3 CYS 66 -5.229 -1.525 1.213 448 H THR 67 H THR 67 -2.468 -2.789 0.271 449 HA THR 67 HA THR 67 -2.925 -2.356 -2.626 450 HB THR 67 HB THR 67 -0.502 -3.685 -1.387 451 HG1 THR 67 HG1 THR 67 -0.358 -1.486 -1.133 452 HG21 THR 67 HG21 THR 67 0.332 -3.959 -3.594 453 HG22 THR 67 HG22 THR 67 -0.878 -2.872 -4.273 454 HG23 THR 67 HG23 THR 67 -1.353 -4.471 -3.700 455 H ILE 68 H ILE 68 -3.990 -3.968 -3.632 456 HA ILE 68 HA ILE 68 -4.190 -6.607 -2.281 457 HB ILE 68 HB ILE 68 -6.445 -5.154 -3.724 458 HG12 ILE 68 HG12 ILE 68 -6.209 -5.791 -0.751 459 HG13 ILE 68 HG13 ILE 68 -5.741 -4.237 -1.429 460 HG21 ILE 68 HG21 ILE 68 -6.177 -7.885 -2.439 461 HG22 ILE 68 HG22 ILE 68 -6.873 -7.463 -4.001 462 HG23 ILE 68 HG23 ILE 68 -7.752 -7.096 -2.521 463 HD11 ILE 68 HD11 ILE 68 -7.948 -3.830 -0.777 464 HD12 ILE 68 HD12 ILE 68 -8.482 -5.453 -1.203 465 HD13 ILE 68 HD13 ILE 68 -8.164 -4.269 -2.472 466 H TRP 69 H TRP 69 -3.537 -8.268 -3.555 467 HA TRP 69 HA TRP 69 -4.140 -8.297 -6.411 468 HB2 TRP 69 HB2 TRP 69 -1.859 -8.460 -7.234 469 HB3 TRP 69 HB3 TRP 69 -1.977 -6.992 -6.271 470 HD1 TRP 69 HD1 TRP 69 -0.094 -10.190 -6.547 471 HE1 TRP 69 HE1 TRP 69 1.533 -10.443 -4.564 472 HE3 TRP 69 HE3 TRP 69 -1.781 -6.431 -3.576 473 HZ2 TRP 69 HZ2 TRP 69 2.036 -9.217 -2.039 474 HZ3 TRP 69 HZ3 TRP 69 -0.719 -5.991 -1.367 475 HH2 TRP 69 HH2 TRP 69 1.190 -7.395 -0.608 476 H ARG 70 H ARG 70 -3.449 -10.401 -7.458 477 HA ARG 70 HA ARG 70 -3.921 -12.590 -5.587 478 HB2 ARG 70 HB2 ARG 70 -4.290 -13.995 -7.500 479 HB3 ARG 70 HB3 ARG 70 -5.085 -12.464 -7.848 480 HG2 ARG 70 HG2 ARG 70 -3.088 -11.761 -9.177 481 HG3 ARG 70 HG3 ARG 70 -2.369 -13.344 -8.820 482 HD2 ARG 70 HD2 ARG 70 -3.374 -13.440 -11.014 483 HD3 ARG 70 HD3 ARG 70 -4.360 -14.399 -9.913 484 HE ARG 70 HE ARG 70 -6.082 -12.838 -10.176 485 HH11 ARG 70 HH11 ARG 70 -3.111 -11.543 -11.547 486 HH12 ARG 70 HH12 ARG 70 -3.899 -10.194 -12.292 487 HH21 ARG 70 HH21 ARG 70 -7.063 -11.055 -11.165 488 HH22 ARG 70 HH22 ARG 70 -6.120 -9.921 -12.072 489 HA PRO 71 HA PRO 71 0.370 -13.853 -5.344 490 HB2 PRO 71 HB2 PRO 71 0.202 -16.397 -4.639 491 HB3 PRO 71 HB3 PRO 71 -0.465 -15.111 -3.605 492 HG2 PRO 71 HG2 PRO 71 -1.908 -16.863 -5.558 493 HG3 PRO 71 HG3 PRO 71 -2.333 -16.503 -3.864 494 HD2 PRO 71 HD2 PRO 71 -3.439 -15.247 -6.015 495 HD3 PRO 71 HD3 PRO 71 -3.245 -14.460 -4.430 496 H GLN 72 H GLN 72 -1.642 -16.104 -7.265 497 HA GLN 72 HA GLN 72 0.451 -17.520 -8.511 498 HB2 GLN 72 HB2 GLN 72 -2.433 -17.116 -9.285 499 HB3 GLN 72 HB3 GLN 72 -1.339 -18.185 -10.166 500 HG2 GLN 72 HG2 GLN 72 -0.960 -19.532 -8.190 501 HG3 GLN 72 HG3 GLN 72 -1.857 -18.391 -7.185 502 HE21 GLN 72 HE21 GLN 72 -2.421 -21.317 -7.753 503 HE22 GLN 72 HE22 GLN 72 -4.005 -21.344 -8.364 504 H GLY 73 H GLY 73 -1.305 -14.673 -9.479 505 HA2 GLY 73 HA2 GLY 73 -0.328 -12.935 -10.828 506 HA3 GLY 73 HA3 GLY 73 0.672 -14.161 -11.607 507 H LYS 74 H LYS 74 -1.993 -15.859 -11.610 508 HA LYS 74 HA LYS 74 -3.411 -14.467 -13.779 509 HB2 LYS 74 HB2 LYS 74 -2.173 -17.214 -13.920 510 HB3 LYS 74 HB3 LYS 74 -3.531 -16.761 -14.950 511 HG2 LYS 74 HG2 LYS 74 -1.028 -15.068 -14.786 512 HG3 LYS 74 HG3 LYS 74 -1.157 -16.420 -15.913 513 HD2 LYS 74 HD2 LYS 74 -3.229 -14.206 -15.814 514 HD3 LYS 74 HD3 LYS 74 -1.801 -14.117 -16.838 515 HE2 LYS 74 HE2 LYS 74 -2.462 -16.304 -17.871 516 HE3 LYS 74 HE3 LYS 74 -3.954 -16.252 -16.928 517 HZ1 LYS 74 HZ1 LYS 74 -3.207 -13.948 -18.589 518 HZ2 LYS 74 HZ2 LYS 74 -4.749 -14.476 -18.106 519 HZ3 LYS 74 HZ3 LYS 74 -3.903 -15.307 -19.324 520 H SER 75 H SER 75 -5.494 -14.373 -13.267 521 HA SER 75 HA SER 75 -6.733 -16.633 -11.798 522 HB2 SER 75 HB2 SER 75 -7.334 -13.676 -11.623 523 HB3 SER 75 HB3 SER 75 -8.423 -14.915 -11.011 524 HG SER 75 HG SER 75 -7.091 -14.337 -9.344 525 H TYR 76 H TYR 76 -8.675 -17.458 -12.551 526 HA TYR 76 HA TYR 76 -9.658 -16.320 -15.109 527 HB2 TYR 76 HB2 TYR 76 -8.546 -18.568 -15.301 528 HB3 TYR 76 HB3 TYR 76 -9.815 -19.226 -14.266 529 HD1 TYR 76 HD1 TYR 76 -9.095 -17.669 -17.556 530 HD2 TYR 76 HD2 TYR 76 -12.066 -19.545 -15.083 531 HE1 TYR 76 HE1 TYR 76 -10.591 -17.895 -19.523 532 HE2 TYR 76 HE2 TYR 76 -13.561 -19.769 -17.049 533 HH TYR 76 HH TYR 76 -12.817 -18.258 -20.118 534 H LEU 77 H LEU 77 -11.135 -14.981 -14.066 535 HA LEU 77 HA LEU 77 -13.620 -16.326 -13.305 536 HB2 LEU 77 HB2 LEU 77 -12.446 -14.049 -11.674 537 HB3 LEU 77 HB3 LEU 77 -14.027 -14.791 -11.441 538 HG LEU 77 HG LEU 77 -12.519 -17.051 -11.293 539 HD11 LEU 77 HD11 LEU 77 -10.683 -15.019 -10.011 540 HD12 LEU 77 HD12 LEU 77 -10.417 -15.602 -11.650 541 HD13 LEU 77 HD13 LEU 77 -10.392 -16.733 -10.300 542 HD21 LEU 77 HD21 LEU 77 -14.094 -16.096 -9.554 543 HD22 LEU 77 HD22 LEU 77 -12.743 -15.141 -8.941 544 HD23 LEU 77 HD23 LEU 77 -12.677 -16.903 -8.880 545 H TYR 78 H TYR 78 -15.530 -15.082 -13.793 546 HA TYR 78 HA TYR 78 -15.002 -12.965 -15.754 547 HB2 TYR 78 HB2 TYR 78 -16.547 -14.867 -16.288 548 HB3 TYR 78 HB3 TYR 78 -17.647 -14.263 -15.044 549 HD1 TYR 78 HD1 TYR 78 -16.046 -13.500 -18.301 550 HD2 TYR 78 HD2 TYR 78 -18.981 -12.286 -15.411 551 HE1 TYR 78 HE1 TYR 78 -16.980 -11.883 -19.931 552 HE2 TYR 78 HE2 TYR 78 -19.917 -10.667 -17.040 553 HH TYR 78 HH TYR 78 -18.303 -9.888 -19.994 554 H PHE 79 H PHE 79 -14.384 -11.323 -14.335 555 HA PHE 79 HA PHE 79 -16.057 -10.471 -12.151 556 HB2 PHE 79 HB2 PHE 79 -13.518 -9.550 -13.400 557 HB3 PHE 79 HB3 PHE 79 -14.436 -8.334 -12.522 558 HD1 PHE 79 HD1 PHE 79 -13.215 -11.874 -12.133 559 HD2 PHE 79 HD2 PHE 79 -14.097 -8.135 -10.209 560 HE1 PHE 79 HE1 PHE 79 -12.335 -12.763 -9.991 561 HE2 PHE 79 HE2 PHE 79 -13.218 -9.026 -8.072 562 HZ PHE 79 HZ PHE 79 -12.337 -11.336 -7.962 563 H THR 80 H THR 80 -17.786 -9.295 -12.246 564 HA THR 80 HA THR 80 -18.712 -8.094 -14.686 565 HB THR 80 HB THR 80 -19.799 -7.838 -11.863 566 HG1 THR 80 HG1 THR 80 -20.565 -9.748 -12.204 567 HG21 THR 80 HG21 THR 80 -21.074 -7.276 -14.562 568 HG22 THR 80 HG22 THR 80 -20.625 -6.068 -13.359 569 HG23 THR 80 HG23 THR 80 -21.909 -7.226 -13.008 570 H GLN 81 H GLN 81 -17.389 -6.942 -11.608 571 HA GLN 81 HA GLN 81 -16.088 -4.725 -12.728 572 HB2 GLN 81 HB2 GLN 81 -17.411 -2.872 -11.743 573 HB3 GLN 81 HB3 GLN 81 -18.287 -3.727 -13.013 574 HG2 GLN 81 HG2 GLN 81 -19.464 -5.058 -11.250 575 HG3 GLN 81 HG3 GLN 81 -18.627 -4.113 -10.015 576 HE21 GLN 81 HE21 GLN 81 -19.888 -2.428 -9.233 577 HE22 GLN 81 HE22 GLN 81 -21.056 -1.586 -10.132 578 H PHE 82 H PHE 82 -15.121 -3.309 -11.060 579 HA PHE 82 HA PHE 82 -15.139 -4.412 -8.363 580 HB2 PHE 82 HB2 PHE 82 -12.681 -4.570 -8.295 581 HB3 PHE 82 HB3 PHE 82 -13.423 -5.682 -9.440 582 HD1 PHE 82 HD1 PHE 82 -11.361 -2.651 -9.071 583 HD2 PHE 82 HD2 PHE 82 -13.177 -5.366 -11.857 584 HE1 PHE 82 HE1 PHE 82 -9.988 -1.696 -10.902 585 HE2 PHE 82 HE2 PHE 82 -11.805 -4.413 -13.686 586 HZ PHE 82 HZ PHE 82 -10.215 -2.579 -13.210 587 H LYS 83 H LYS 83 -14.405 -2.994 -6.757 588 HA LYS 83 HA LYS 83 -13.598 -0.305 -7.593 589 HB2 LYS 83 HB2 LYS 83 -15.988 -0.774 -5.782 590 HB3 LYS 83 HB3 LYS 83 -15.377 0.784 -6.357 591 HG2 LYS 83 HG2 LYS 83 -15.765 -0.139 -8.740 592 HG3 LYS 83 HG3 LYS 83 -16.659 -1.424 -7.966 593 HD2 LYS 83 HD2 LYS 83 -18.198 0.147 -6.920 594 HD3 LYS 83 HD3 LYS 83 -17.328 1.507 -7.633 595 HE2 LYS 83 HE2 LYS 83 -17.823 0.655 -9.886 596 HE3 LYS 83 HE3 LYS 83 -18.706 -0.705 -9.192 597 HZ1 LYS 83 HZ1 LYS 83 -19.413 2.158 -9.201 598 HZ2 LYS 83 HZ2 LYS 83 -20.025 1.134 -7.989 599 HZ3 LYS 83 HZ3 LYS 83 -20.367 0.822 -9.625 600 H ALA 84 H ALA 84 -12.543 0.904 -5.995 601 HA ALA 84 HA ALA 84 -11.974 -0.484 -3.448 602 HB1 ALA 84 HB1 ALA 84 -9.964 -0.899 -4.531 603 HB2 ALA 84 HB2 ALA 84 -9.622 0.650 -3.761 604 HB3 ALA 84 HB3 ALA 84 -10.044 0.590 -5.473 605 H GLU 85 H GLU 85 -12.013 0.802 -1.662 606 HA GLU 85 HA GLU 85 -11.900 3.703 -1.972 607 HB2 GLU 85 HB2 GLU 85 -14.078 4.061 -0.888 608 HB3 GLU 85 HB3 GLU 85 -14.251 3.148 -2.390 609 HG2 GLU 85 HG2 GLU 85 -14.197 1.021 -0.987 610 HG3 GLU 85 HG3 GLU 85 -14.339 2.067 0.435 611 H VAL 86 H VAL 86 -12.003 4.828 0.186 612 HA VAL 86 HA VAL 86 -10.902 3.121 2.340 613 HB VAL 86 HB VAL 86 -9.354 4.949 2.940 614 HG11 VAL 86 HG11 VAL 86 -7.788 4.594 1.051 615 HG12 VAL 86 HG12 VAL 86 -9.117 3.968 0.075 616 HG13 VAL 86 HG13 VAL 86 -8.588 3.092 1.513 617 HG21 VAL 86 HG21 VAL 86 -10.344 6.181 0.339 618 HG22 VAL 86 HG22 VAL 86 -8.947 6.753 1.251 619 HG23 VAL 86 HG23 VAL 86 -10.560 6.851 1.957 620 H ARG 87 H ARG 87 -11.029 4.035 4.502 621 HA ARG 87 HA ARG 87 -13.270 5.940 4.834 622 HB2 ARG 87 HB2 ARG 87 -12.793 3.432 6.460 623 HB3 ARG 87 HB3 ARG 87 -14.067 4.616 6.752 624 HG2 ARG 87 HG2 ARG 87 -13.787 3.162 4.108 625 HG3 ARG 87 HG3 ARG 87 -14.752 2.529 5.438 626 HD2 ARG 87 HD2 ARG 87 -15.135 5.264 4.211 627 HD3 ARG 87 HD3 ARG 87 -16.077 3.850 3.781 628 HE ARG 87 HE ARG 87 -16.920 3.793 6.083 629 HH11 ARG 87 HH11 ARG 87 -15.329 6.824 5.158 630 HH12 ARG 87 HH12 ARG 87 -16.134 7.726 6.387 631 HH21 ARG 87 HH21 ARG 87 -17.925 5.050 7.650 632 HH22 ARG 87 HH22 ARG 87 -17.582 6.742 7.782 633 H GLY 88 H GLY 88 -13.069 7.464 6.386 634 HA2 GLY 88 HA2 GLY 88 -12.235 8.609 8.223 635 HA3 GLY 88 HA3 GLY 88 -11.166 7.249 8.544 636 H ALA 89 H ALA 89 -10.734 8.104 5.341 637 HA ALA 89 HA ALA 89 -8.827 10.262 5.782 638 HB1 ALA 89 HB1 ALA 89 -7.088 8.778 4.508 639 HB2 ALA 89 HB2 ALA 89 -8.034 7.441 5.164 640 HB3 ALA 89 HB3 ALA 89 -7.277 8.604 6.254 641 H GLU 90 H GLU 90 -7.831 10.984 3.734 642 HA GLU 90 HA GLU 90 -9.721 10.659 1.493 643 HB2 GLU 90 HB2 GLU 90 -8.818 12.811 0.659 644 HB3 GLU 90 HB3 GLU 90 -9.479 12.974 2.283 645 HG2 GLU 90 HG2 GLU 90 -7.179 12.753 3.226 646 HG3 GLU 90 HG3 GLU 90 -6.535 12.649 1.590 647 H ILE 91 H ILE 91 -8.964 10.242 -0.591 648 HA ILE 91 HA ILE 91 -6.490 8.720 -0.647 649 HB ILE 91 HB ILE 91 -8.603 9.100 -2.806 650 HG12 ILE 91 HG12 ILE 91 -8.119 6.673 -1.034 651 HG13 ILE 91 HG13 ILE 91 -9.292 7.925 -0.618 652 HG21 ILE 91 HG21 ILE 91 -7.534 7.103 -3.845 653 HG22 ILE 91 HG22 ILE 91 -6.306 7.108 -2.577 654 HG23 ILE 91 HG23 ILE 91 -6.393 8.444 -3.725 655 HD11 ILE 91 HD11 ILE 91 -10.331 7.531 -2.919 656 HD12 ILE 91 HD12 ILE 91 -10.526 6.215 -1.762 657 HD13 ILE 91 HD13 ILE 91 -9.312 6.097 -3.036 658 H GLU 92 H GLU 92 -4.609 9.438 -1.343 659 HA GLU 92 HA GLU 92 -4.365 12.055 -2.581 660 HB2 GLU 92 HB2 GLU 92 -2.336 9.971 -1.766 661 HB3 GLU 92 HB3 GLU 92 -1.906 11.490 -2.554 662 HG2 GLU 92 HG2 GLU 92 -2.906 12.762 -0.724 663 HG3 GLU 92 HG3 GLU 92 -3.453 11.270 0.045 664 H TYR 93 H TYR 93 -3.855 8.651 -3.414 665 HA TYR 93 HA TYR 93 -4.334 9.155 -6.202 666 HB2 TYR 93 HB2 TYR 93 -1.873 9.748 -5.809 667 HB3 TYR 93 HB3 TYR 93 -1.619 8.031 -5.509 668 HD1 TYR 93 HD1 TYR 93 -2.472 10.561 -8.044 669 HD2 TYR 93 HD2 TYR 93 -1.901 6.370 -7.296 670 HE1 TYR 93 HE1 TYR 93 -2.408 10.135 -10.486 671 HE2 TYR 93 HE2 TYR 93 -1.837 5.947 -9.738 672 HH TYR 93 HH TYR 93 -2.665 8.406 -12.057 673 H ALA 94 H ALA 94 -5.158 7.370 -7.140 674 HA ALA 94 HA ALA 94 -4.648 4.731 -5.948 675 HB1 ALA 94 HB1 ALA 94 -7.080 4.189 -6.172 676 HB2 ALA 94 HB2 ALA 94 -7.384 5.894 -6.510 677 HB3 ALA 94 HB3 ALA 94 -6.738 5.408 -4.944 678 H MET 95 H MET 95 -4.511 3.098 -7.398 679 HA MET 95 HA MET 95 -5.542 3.327 -10.076 680 HB2 MET 95 HB2 MET 95 -3.399 3.182 -11.251 681 HB3 MET 95 HB3 MET 95 -3.470 4.657 -10.283 682 HG2 MET 95 HG2 MET 95 -2.150 3.552 -8.506 683 HG3 MET 95 HG3 MET 95 -2.079 2.080 -9.481 684 HE1 MET 95 HE1 MET 95 0.115 2.697 -12.352 685 HE2 MET 95 HE2 MET 95 -1.539 3.257 -12.574 686 HE3 MET 95 HE3 MET 95 -1.229 1.818 -11.606 687 H ALA 96 H ALA 96 -4.743 1.404 -11.434 688 HA ALA 96 HA ALA 96 -4.347 -0.990 -9.766 689 HB1 ALA 96 HB1 ALA 96 -6.347 -1.910 -10.300 690 HB2 ALA 96 HB2 ALA 96 -6.236 -1.403 -11.982 691 HB3 ALA 96 HB3 ALA 96 -6.829 -0.284 -10.763 692 H TYR 97 H TYR 97 -3.407 -2.782 -10.880 693 HA TYR 97 HA TYR 97 -2.197 -2.077 -13.510 694 HB2 TYR 97 HB2 TYR 97 -1.096 -3.746 -11.262 695 HB3 TYR 97 HB3 TYR 97 -0.360 -3.659 -12.862 696 HD1 TYR 97 HD1 TYR 97 -1.084 -1.815 -9.751 697 HD2 TYR 97 HD2 TYR 97 0.748 -1.619 -13.631 698 HE1 TYR 97 HE1 TYR 97 0.090 0.263 -9.090 699 HE2 TYR 97 HE2 TYR 97 1.923 0.463 -12.967 700 HH TYR 97 HH TYR 97 2.578 1.682 -11.070 701 H SER 98 H SER 98 -3.345 -3.111 -15.042 702 HA SER 98 HA SER 98 -4.760 -5.546 -14.665 703 HB2 SER 98 HB2 SER 98 -3.845 -4.165 -17.198 704 HB3 SER 98 HB3 SER 98 -4.906 -5.574 -17.157 705 HG SER 98 HG SER 98 -6.476 -4.371 -16.312 706 H LYS 99 H LYS 99 -1.585 -4.783 -16.002 707 HA LYS 99 HA LYS 99 -0.729 -7.538 -15.563 708 HB2 LYS 99 HB2 LYS 99 -1.564 -7.466 -17.923 709 HB3 LYS 99 HB3 LYS 99 -0.382 -6.205 -18.267 710 HG2 LYS 99 HG2 LYS 99 0.636 -8.254 -18.983 711 HG3 LYS 99 HG3 LYS 99 1.416 -7.836 -17.457 712 HD2 LYS 99 HD2 LYS 99 0.914 -10.177 -17.327 713 HD3 LYS 99 HD3 LYS 99 -0.288 -9.387 -16.317 714 HE2 LYS 99 HE2 LYS 99 -1.946 -9.523 -18.090 715 HE3 LYS 99 HE3 LYS 99 -0.740 -10.149 -19.215 716 HZ1 LYS 99 HZ1 LYS 99 -0.448 -11.961 -17.409 717 HZ2 LYS 99 HZ2 LYS 99 -1.757 -12.058 -18.488 718 HZ3 LYS 99 HZ3 LYS 99 -1.994 -11.478 -16.909 719 H ALA 100 H ALA 100 1.335 -7.682 -14.922 720 HA ALA 100 HA ALA 100 2.824 -5.234 -14.454 721 HB1 ALA 100 HB1 ALA 100 3.559 -8.093 -13.796 722 HB2 ALA 100 HB2 ALA 100 2.685 -7.001 -12.722 723 HB3 ALA 100 HB3 ALA 100 4.350 -6.642 -13.182 724 H ALA 101 H ALA 101 4.743 -4.651 -15.379 725 HA ALA 101 HA ALA 101 5.266 -5.429 -18.031 726 HB1 ALA 101 HB1 ALA 101 6.708 -3.770 -16.009 727 HB2 ALA 101 HB2 ALA 101 6.070 -3.317 -17.587 728 HB3 ALA 101 HB3 ALA 101 7.562 -4.243 -17.478 729 H PHE 102 H PHE 102 6.375 -6.982 -18.908 730 HA PHE 102 HA PHE 102 8.285 -8.545 -17.288 731 HB2 PHE 102 HB2 PHE 102 6.598 -9.516 -19.616 732 HB3 PHE 102 HB3 PHE 102 7.845 -10.453 -18.798 733 HD1 PHE 102 HD1 PHE 102 4.407 -9.301 -18.655 734 HD2 PHE 102 HD2 PHE 102 7.624 -10.958 -16.344 735 HE1 PHE 102 HE1 PHE 102 2.797 -9.981 -16.898 736 HE2 PHE 102 HE2 PHE 102 6.014 -11.638 -14.588 737 HZ PHE 102 HZ PHE 102 3.600 -11.151 -14.866 738 H GLU 103 H GLU 103 9.966 -9.636 -18.764 739 HA GLU 103 HA GLU 103 11.520 -7.650 -19.967 740 HB2 GLU 103 HB2 GLU 103 12.386 -9.849 -19.161 741 HB3 GLU 103 HB3 GLU 103 11.619 -10.627 -20.546 742 HG2 GLU 103 HG2 GLU 103 12.987 -9.274 -22.089 743 HG3 GLU 103 HG3 GLU 103 13.730 -8.445 -20.724 744 H ARG 104 H ARG 104 9.182 -9.919 -21.398 745 HA ARG 104 HA ARG 104 9.540 -8.606 -24.015 746 HB2 ARG 104 HB2 ARG 104 8.287 -11.264 -23.315 747 HB3 ARG 104 HB3 ARG 104 8.282 -10.557 -24.934 748 HG2 ARG 104 HG2 ARG 104 10.720 -10.535 -24.979 749 HG3 ARG 104 HG3 ARG 104 10.783 -11.128 -23.315 750 HD2 ARG 104 HD2 ARG 104 9.493 -12.631 -25.607 751 HD3 ARG 104 HD3 ARG 104 11.128 -12.922 -25.033 752 HE ARG 104 HE ARG 104 9.446 -13.113 -22.807 753 HH11 ARG 104 HH11 ARG 104 9.877 -14.804 -25.859 754 HH12 ARG 104 HH12 ARG 104 9.316 -16.320 -25.239 755 HH21 ARG 104 HH21 ARG 104 8.733 -15.114 -22.034 756 HH22 ARG 104 HH22 ARG 104 8.672 -16.492 -23.082 757 H GLU 105 H GLU 105 7.654 -8.028 -21.412 758 HA GLU 105 HA GLU 105 5.366 -7.205 -23.103 759 HB2 GLU 105 HB2 GLU 105 5.053 -8.379 -20.324 760 HB3 GLU 105 HB3 GLU 105 3.767 -7.809 -21.375 761 HG2 GLU 105 HG2 GLU 105 4.470 -9.518 -23.083 762 HG3 GLU 105 HG3 GLU 105 5.608 -10.157 -21.899 763 H SER 106 H SER 106 4.093 -5.463 -22.274 764 HA SER 106 HA SER 106 5.689 -3.597 -20.636 765 HB2 SER 106 HB2 SER 106 5.314 -2.740 -22.850 766 HB3 SER 106 HB3 SER 106 3.594 -3.112 -22.754 767 HG SER 106 HG SER 106 3.338 -1.271 -21.766 768 H ASP 107 H ASP 107 4.819 -2.608 -18.868 769 HA ASP 107 HA ASP 107 2.682 -3.860 -17.488 770 HB2 ASP 107 HB2 ASP 107 4.522 -2.662 -16.338 771 HB3 ASP 107 HB3 ASP 107 3.904 -1.136 -16.974 772 H VAL 108 H VAL 108 0.553 -3.538 -17.551 773 HA VAL 108 HA VAL 108 -0.468 -1.191 -19.050 774 HB VAL 108 HB VAL 108 -1.781 -3.894 -18.572 775 HG11 VAL 108 HG11 VAL 108 -3.393 -1.979 -18.749 776 HG12 VAL 108 HG12 VAL 108 -3.533 -3.106 -20.097 777 HG13 VAL 108 HG13 VAL 108 -2.693 -1.571 -20.316 778 HG21 VAL 108 HG21 VAL 108 0.183 -3.773 -20.209 779 HG22 VAL 108 HG22 VAL 108 -0.811 -2.695 -21.188 780 HG23 VAL 108 HG23 VAL 108 -1.336 -4.352 -20.892 781 HA PRO 109 HA PRO 109 -2.235 -0.341 -14.864 782 HB2 PRO 109 HB2 PRO 109 -2.040 2.286 -14.817 783 HB3 PRO 109 HB3 PRO 109 -0.563 1.293 -14.758 784 HG2 PRO 109 HG2 PRO 109 -1.741 2.764 -17.072 785 HG3 PRO 109 HG3 PRO 109 -0.043 2.621 -16.575 786 HD2 PRO 109 HD2 PRO 109 -1.280 1.068 -18.554 787 HD3 PRO 109 HD3 PRO 109 0.241 0.655 -17.725 788 H LEU 110 H LEU 110 -4.380 -0.003 -14.371 789 HA LEU 110 HA LEU 110 -6.245 0.744 -16.473 790 HB2 LEU 110 HB2 LEU 110 -6.653 -0.088 -13.589 791 HB3 LEU 110 HB3 LEU 110 -7.974 0.297 -14.701 792 HG LEU 110 HG LEU 110 -5.867 -1.802 -15.307 793 HD11 LEU 110 HD11 LEU 110 -6.935 -2.730 -13.425 794 HD12 LEU 110 HD12 LEU 110 -7.872 -3.394 -14.756 795 HD13 LEU 110 HD13 LEU 110 -8.495 -2.025 -13.837 796 HD21 LEU 110 HD21 LEU 110 -7.714 -2.592 -16.878 797 HD22 LEU 110 HD22 LEU 110 -7.016 -1.029 -17.299 798 HD23 LEU 110 HD23 LEU 110 -8.580 -1.106 -16.488 799 H LYS 111 H LYS 111 -7.406 2.612 -16.613 800 HA LYS 111 HA LYS 111 -6.370 4.881 -15.128 801 HB2 LYS 111 HB2 LYS 111 -7.628 6.244 -16.730 802 HB3 LYS 111 HB3 LYS 111 -6.650 5.032 -17.564 803 HG2 LYS 111 HG2 LYS 111 -8.908 3.588 -17.385 804 HG3 LYS 111 HG3 LYS 111 -9.639 5.180 -17.237 805 HD2 LYS 111 HD2 LYS 111 -7.758 4.436 -19.505 806 HD3 LYS 111 HD3 LYS 111 -9.510 4.299 -19.619 807 HE2 LYS 111 HE2 LYS 111 -9.710 6.742 -19.127 808 HE3 LYS 111 HE3 LYS 111 -7.952 6.858 -19.090 809 HZ1 LYS 111 HZ1 LYS 111 -9.358 5.733 -21.426 810 HZ2 LYS 111 HZ2 LYS 111 -7.800 6.407 -21.340 811 HZ3 LYS 111 HZ3 LYS 111 -9.171 7.409 -21.253 812 H THR 112 H THR 112 -7.621 6.414 -14.001 813 HA THR 112 HA THR 112 -9.613 5.319 -12.285 814 HB THR 112 HB THR 112 -8.118 7.095 -11.515 815 HG1 THR 112 HG1 THR 112 -9.644 8.095 -10.376 816 HG21 THR 112 HG21 THR 112 -8.184 9.328 -12.350 817 HG22 THR 112 HG22 THR 112 -9.631 9.007 -13.305 818 HG23 THR 112 HG23 THR 112 -8.089 8.292 -13.774 819 H GLU 113 H GLU 113 -9.812 6.756 -15.391 820 HA GLU 113 HA GLU 113 -12.366 7.929 -15.337 821 HB2 GLU 113 HB2 GLU 113 -10.594 8.132 -17.138 822 HB3 GLU 113 HB3 GLU 113 -11.126 6.541 -17.683 823 HG2 GLU 113 HG2 GLU 113 -13.372 7.333 -18.049 824 HG3 GLU 113 HG3 GLU 113 -12.963 8.922 -17.394 825 H GLU 114 H GLU 114 -11.350 4.586 -15.507 826 HA GLU 114 HA GLU 114 -13.600 3.433 -16.735 827 HB2 GLU 114 HB2 GLU 114 -11.610 2.313 -14.756 828 HB3 GLU 114 HB3 GLU 114 -12.828 1.338 -15.578 829 HG2 GLU 114 HG2 GLU 114 -11.920 1.805 -17.724 830 HG3 GLU 114 HG3 GLU 114 -10.917 3.113 -17.111 831 H PHE 115 H PHE 115 -12.953 4.238 -13.370 832 HA PHE 115 HA PHE 115 -15.795 4.113 -12.762 833 HB2 PHE 115 HB2 PHE 115 -15.592 2.565 -10.864 834 HB3 PHE 115 HB3 PHE 115 -15.164 1.776 -12.383 835 HD1 PHE 115 HD1 PHE 115 -13.892 3.066 -9.185 836 HD2 PHE 115 HD2 PHE 115 -12.828 1.206 -12.904 837 HE1 PHE 115 HE1 PHE 115 -11.659 2.503 -8.261 838 HE2 PHE 115 HE2 PHE 115 -10.595 0.639 -11.984 839 HZ PHE 115 HZ PHE 115 -10.010 1.289 -9.662 840 H GLU 116 H GLU 116 -16.332 4.929 -10.586 841 HA GLU 116 HA GLU 116 -14.305 6.882 -9.682 842 HB2 GLU 116 HB2 GLU 116 -16.176 8.003 -10.694 843 HB3 GLU 116 HB3 GLU 116 -17.328 7.089 -9.728 844 HG2 GLU 116 HG2 GLU 116 -16.675 8.194 -7.711 845 HG3 GLU 116 HG3 GLU 116 -15.242 8.900 -8.439 846 H VAL 117 H VAL 117 -13.620 6.859 -7.690 847 HA VAL 117 HA VAL 117 -15.209 5.525 -5.594 848 HB VAL 117 HB VAL 117 -13.125 4.662 -4.576 849 HG11 VAL 117 HG11 VAL 117 -12.635 2.937 -6.398 850 HG12 VAL 117 HG12 VAL 117 -13.757 3.840 -7.415 851 HG13 VAL 117 HG13 VAL 117 -14.326 3.097 -5.920 852 HG21 VAL 117 HG21 VAL 117 -11.830 5.644 -7.154 853 HG22 VAL 117 HG22 VAL 117 -11.034 4.638 -5.945 854 HG23 VAL 117 HG23 VAL 117 -11.520 6.284 -5.539 855 H THR 118 H THR 118 -15.333 6.600 -3.742 856 HA THR 118 HA THR 118 -13.729 9.050 -3.366 857 HB THR 118 HB THR 118 -16.685 8.844 -2.765 858 HG1 THR 118 HG1 THR 118 -15.282 9.915 -4.982 859 HG21 THR 118 HG21 THR 118 -15.669 10.527 -1.420 860 HG22 THR 118 HG22 THR 118 -16.381 11.383 -2.786 861 HG23 THR 118 HG23 THR 118 -14.646 11.073 -2.748 862 H LYS 119 H LYS 119 -13.583 9.795 -1.179 863 HA LYS 119 HA LYS 119 -12.921 7.810 0.672 864 HB2 LYS 119 HB2 LYS 119 -12.725 9.626 2.307 865 HB3 LYS 119 HB3 LYS 119 -12.031 10.108 0.758 866 HG2 LYS 119 HG2 LYS 119 -14.128 11.311 0.197 867 HG3 LYS 119 HG3 LYS 119 -14.802 10.845 1.761 868 HD2 LYS 119 HD2 LYS 119 -12.992 12.053 2.913 869 HD3 LYS 119 HD3 LYS 119 -12.304 12.520 1.358 870 HE2 LYS 119 HE2 LYS 119 -14.381 13.724 0.793 871 HE3 LYS 119 HE3 LYS 119 -15.076 13.256 2.345 872 HZ1 LYS 119 HZ1 LYS 119 -14.227 15.389 2.683 873 HZ2 LYS 119 HZ2 LYS 119 -12.798 15.067 1.822 874 HZ3 LYS 119 HZ3 LYS 119 -13.047 14.372 3.353 875 H THR 120 H THR 120 -16.019 9.194 -0.047 876 HA THR 120 HA THR 120 -17.247 7.497 1.998 877 HB THR 120 HB THR 120 -16.944 9.675 3.084 878 HG1 THR 120 HG1 THR 120 -19.658 9.312 2.361 879 HG21 THR 120 HG21 THR 120 -18.196 11.651 2.234 880 HG22 THR 120 HG22 THR 120 -18.623 10.734 0.790 881 HG23 THR 120 HG23 THR 120 -16.935 11.128 1.116 882 H ALA 121 H ALA 121 -17.094 7.713 -1.061 883 HA ALA 121 HA ALA 121 -19.891 7.094 -1.539 884 HB1 ALA 121 HB1 ALA 121 -20.312 9.262 -2.117 885 HB2 ALA 121 HB2 ALA 121 -19.646 8.724 -3.659 886 HB3 ALA 121 HB3 ALA 121 -18.629 9.599 -2.515 887 H VAL 122 H VAL 122 -20.280 6.007 -3.467 888 HA VAL 122 HA VAL 122 -17.901 5.049 -4.928 889 HB VAL 122 HB VAL 122 -20.242 3.355 -3.976 890 HG11 VAL 122 HG11 VAL 122 -17.753 2.666 -5.557 891 HG12 VAL 122 HG12 VAL 122 -19.425 2.544 -6.108 892 HG13 VAL 122 HG13 VAL 122 -18.832 1.467 -4.841 893 HG21 VAL 122 HG21 VAL 122 -17.327 3.194 -3.180 894 HG22 VAL 122 HG22 VAL 122 -18.682 2.311 -2.471 895 HG23 VAL 122 HG23 VAL 122 -18.542 4.054 -2.234 896 H ALA 123 H ALA 123 -18.105 5.153 -7.106 897 HA ALA 123 HA ALA 123 -20.754 5.100 -8.301 898 HB1 ALA 123 HB1 ALA 123 -19.989 7.140 -9.736 899 HB2 ALA 123 HB2 ALA 123 -18.910 7.463 -8.380 900 HB3 ALA 123 HB3 ALA 123 -20.654 7.419 -8.127 901 H HIS 124 H HIS 124 -20.638 4.969 -10.699 902 HA HIS 124 HA HIS 124 -18.126 3.700 -11.597 903 HB2 HIS 124 HB2 HIS 124 -19.457 2.156 -12.974 904 HB3 HIS 124 HB3 HIS 124 -19.865 1.987 -11.266 905 HD2 HIS 124 HD2 HIS 124 -21.597 2.899 -14.620 906 HE1 HIS 124 HE1 HIS 124 -24.413 3.602 -11.551 907 HE2 HIS 124 HE2 HIS 124 -24.092 3.436 -14.065 908 H ARG 125 H ARG 125 -17.571 3.932 -13.746 909 HA ARG 125 HA ARG 125 -18.765 6.274 -15.100 910 HB2 ARG 125 HB2 ARG 125 -15.952 5.168 -15.199 911 HB3 ARG 125 HB3 ARG 125 -16.520 6.539 -16.143 912 HG2 ARG 125 HG2 ARG 125 -16.722 6.494 -13.125 913 HG3 ARG 125 HG3 ARG 125 -15.278 7.080 -13.953 914 HD2 ARG 125 HD2 ARG 125 -16.742 8.681 -15.226 915 HD3 ARG 125 HD3 ARG 125 -18.097 8.165 -14.221 916 HE ARG 125 HE ARG 125 -16.042 8.919 -12.479 917 HH11 ARG 125 HH11 ARG 125 -18.021 10.482 -14.925 918 HH12 ARG 125 HH12 ARG 125 -17.957 12.036 -14.159 919 HH21 ARG 125 HH21 ARG 125 -15.998 10.958 -11.504 920 HH22 ARG 125 HH22 ARG 125 -16.818 12.299 -12.233 921 HA PRO 126 HA PRO 126 -19.738 3.615 -18.573 922 HB2 PRO 126 HB2 PRO 126 -19.142 5.149 -20.755 923 HB3 PRO 126 HB3 PRO 126 -20.575 5.425 -19.739 924 HG2 PRO 126 HG2 PRO 126 -17.937 6.821 -19.698 925 HG3 PRO 126 HG3 PRO 126 -19.576 7.502 -19.607 926 HD2 PRO 126 HD2 PRO 126 -18.072 7.192 -17.392 927 HD3 PRO 126 HD3 PRO 126 -19.836 6.945 -17.356 928 H GLY 127 H GLY 127 -18.734 2.142 -19.967 929 HA2 GLY 127 HA2 GLY 127 -16.998 1.131 -21.173 930 HA3 GLY 127 HA3 GLY 127 -15.943 2.471 -20.727 931 H ALA 128 H ALA 128 -17.566 1.259 -17.988 932 HA ALA 128 HA ALA 128 -15.260 0.396 -16.662 933 HB1 ALA 128 HB1 ALA 128 -17.071 -0.839 -15.196 934 HB2 ALA 128 HB2 ALA 128 -18.196 0.105 -16.174 935 HB3 ALA 128 HB3 ALA 128 -16.972 0.922 -15.202 936 H PHE 129 H PHE 129 -14.470 -1.636 -16.140 937 HA PHE 129 HA PHE 129 -14.725 -3.585 -18.242 938 HB2 PHE 129 HB2 PHE 129 -13.045 -3.448 -15.745 939 HB3 PHE 129 HB3 PHE 129 -13.113 -4.915 -16.720 940 HD1 PHE 129 HD1 PHE 129 -11.471 -1.777 -16.329 941 HD2 PHE 129 HD2 PHE 129 -12.769 -4.590 -19.307 942 HE1 PHE 129 HE1 PHE 129 -9.839 -0.836 -17.945 943 HE2 PHE 129 HE2 PHE 129 -11.140 -3.643 -20.913 944 HZ PHE 129 HZ PHE 129 -9.675 -1.765 -20.231 945 H LYS 130 H LYS 130 -15.362 -5.669 -18.164 946 HA LYS 130 HA LYS 130 -16.667 -6.716 -15.803 947 HB2 LYS 130 HB2 LYS 130 -18.736 -7.397 -17.173 948 HB3 LYS 130 HB3 LYS 130 -18.643 -5.732 -16.608 949 HG2 LYS 130 HG2 LYS 130 -17.791 -5.039 -18.850 950 HG3 LYS 130 HG3 LYS 130 -17.887 -6.716 -19.396 951 HD2 LYS 130 HD2 LYS 130 -20.297 -5.230 -18.315 952 HD3 LYS 130 HD3 LYS 130 -19.866 -5.202 -20.025 953 HE2 LYS 130 HE2 LYS 130 -19.957 -7.689 -20.064 954 HE3 LYS 130 HE3 LYS 130 -20.471 -7.678 -18.377 955 HZ1 LYS 130 HZ1 LYS 130 -22.510 -6.850 -18.904 956 HZ2 LYS 130 HZ2 LYS 130 -22.199 -7.719 -20.331 957 HZ3 LYS 130 HZ3 LYS 130 -21.963 -6.037 -20.287 958 H ALA 131 H ALA 131 -14.398 -7.303 -17.709 959 HA ALA 131 HA ALA 131 -14.675 -10.166 -17.730 960 HB1 ALA 131 HB1 ALA 131 -15.805 -9.828 -19.812 961 HB2 ALA 131 HB2 ALA 131 -14.164 -10.336 -20.212 962 HB3 ALA 131 HB3 ALA 131 -14.615 -8.637 -20.336 963 H GLU 132 H GLU 132 -12.935 -7.914 -16.733 964 HA GLU 132 HA GLU 132 -10.338 -8.999 -17.606 965 HB2 GLU 132 HB2 GLU 132 -10.753 -6.866 -18.785 966 HB3 GLU 132 HB3 GLU 132 -10.966 -6.054 -17.232 967 HG2 GLU 132 HG2 GLU 132 -8.643 -6.643 -16.606 968 HG3 GLU 132 HG3 GLU 132 -8.440 -7.506 -18.127 969 H LEU 133 H LEU 133 -8.826 -9.249 -16.024 970 HA LEU 133 HA LEU 133 -9.668 -8.635 -13.258 971 HB2 LEU 133 HB2 LEU 133 -7.622 -10.727 -14.062 972 HB3 LEU 133 HB3 LEU 133 -8.384 -10.512 -12.493 973 HG LEU 133 HG LEU 133 -9.448 -12.406 -13.446 974 HD11 LEU 133 HD11 LEU 133 -11.727 -11.877 -13.477 975 HD12 LEU 133 HD12 LEU 133 -11.458 -10.319 -14.259 976 HD13 LEU 133 HD13 LEU 133 -11.013 -10.545 -12.568 977 HD21 LEU 133 HD21 LEU 133 -10.217 -11.011 -16.005 978 HD22 LEU 133 HD22 LEU 133 -10.049 -12.732 -15.679 979 HD23 LEU 133 HD23 LEU 133 -8.612 -11.727 -15.840 980 H SER 134 H SER 134 -8.098 -7.863 -11.747 981 HA SER 134 HA SER 134 -5.437 -7.163 -12.560 982 HB2 SER 134 HB2 SER 134 -6.678 -5.465 -13.823 983 HB3 SER 134 HB3 SER 134 -7.484 -4.949 -12.348 984 HG SER 134 HG SER 134 -5.806 -3.717 -12.080 985 H LYS 135 H LYS 135 -4.513 -5.474 -10.912 986 HA LYS 135 HA LYS 135 -5.577 -6.102 -8.221 987 HB2 LYS 135 HB2 LYS 135 -3.240 -5.774 -7.366 988 HB3 LYS 135 HB3 LYS 135 -3.439 -7.201 -8.365 989 HG2 LYS 135 HG2 LYS 135 -1.555 -6.403 -9.391 990 HG3 LYS 135 HG3 LYS 135 -2.694 -5.433 -10.301 991 HD2 LYS 135 HD2 LYS 135 -1.987 -3.474 -9.364 992 HD3 LYS 135 HD3 LYS 135 -1.960 -4.132 -7.732 993 HE2 LYS 135 HE2 LYS 135 0.216 -5.234 -8.236 994 HE3 LYS 135 HE3 LYS 135 0.208 -4.497 -9.838 995 HZ1 LYS 135 HZ1 LYS 135 0.781 -3.325 -7.260 996 HZ2 LYS 135 HZ2 LYS 135 -0.233 -2.376 -8.236 997 HZ3 LYS 135 HZ3 LYS 135 1.297 -2.851 -8.802 998 H LEU 136 H LEU 136 -5.476 -4.483 -6.649 999 HA LEU 136 HA LEU 136 -5.416 -1.749 -7.790 1000 HB2 LEU 136 HB2 LEU 136 -7.109 -2.956 -5.610 1001 HB3 LEU 136 HB3 LEU 136 -7.047 -1.221 -5.930 1002 HG LEU 136 HG LEU 136 -7.702 -3.223 -8.104 1003 HD11 LEU 136 HD11 LEU 136 -10.040 -2.950 -7.651 1004 HD12 LEU 136 HD12 LEU 136 -9.734 -1.676 -6.472 1005 HD13 LEU 136 HD13 LEU 136 -9.293 -3.343 -6.103 1006 HD21 LEU 136 HD21 LEU 136 -8.471 -1.327 -9.315 1007 HD22 LEU 136 HD22 LEU 136 -7.015 -0.728 -8.530 1008 HD23 LEU 136 HD23 LEU 136 -8.591 -0.329 -7.870 1009 H VAL 137 H VAL 137 -4.533 -0.063 -6.689 1010 HA VAL 137 HA VAL 137 -3.227 -0.560 -4.112 1011 HB VAL 137 HB VAL 137 -1.496 -0.915 -5.863 1012 HG11 VAL 137 HG11 VAL 137 -2.048 1.962 -6.642 1013 HG12 VAL 137 HG12 VAL 137 -2.458 0.540 -7.605 1014 HG13 VAL 137 HG13 VAL 137 -0.769 0.934 -7.288 1015 HG21 VAL 137 HG21 VAL 137 -1.228 1.611 -4.198 1016 HG22 VAL 137 HG22 VAL 137 0.127 0.837 -5.017 1017 HG23 VAL 137 HG23 VAL 137 -0.734 -0.019 -3.739 1018 H ILE 138 H ILE 138 -3.776 0.981 -2.723 1019 HA ILE 138 HA ILE 138 -4.630 3.625 -3.764 1020 HB ILE 138 HB ILE 138 -5.874 2.127 -1.428 1021 HG12 ILE 138 HG12 ILE 138 -7.914 2.208 -3.138 1022 HG13 ILE 138 HG13 ILE 138 -6.637 2.346 -4.354 1023 HG21 ILE 138 HG21 ILE 138 -6.683 4.697 -2.841 1024 HG22 ILE 138 HG22 ILE 138 -5.989 4.585 -1.224 1025 HG23 ILE 138 HG23 ILE 138 -7.589 3.916 -1.544 1026 HD11 ILE 138 HD11 ILE 138 -5.827 0.194 -3.899 1027 HD12 ILE 138 HD12 ILE 138 -7.554 -0.019 -3.650 1028 HD13 ILE 138 HD13 ILE 138 -6.487 0.177 -2.262 1029 H VAL 139 H VAL 139 -3.658 5.337 -2.911 1030 HA VAL 139 HA VAL 139 -2.305 5.074 -0.280 1031 HB VAL 139 HB VAL 139 -1.508 6.848 -2.629 1032 HG11 VAL 139 HG11 VAL 139 -0.277 6.469 0.121 1033 HG12 VAL 139 HG12 VAL 139 -0.998 7.946 -0.516 1034 HG13 VAL 139 HG13 VAL 139 0.505 7.331 -1.206 1035 HG21 VAL 139 HG21 VAL 139 0.405 5.409 -2.891 1036 HG22 VAL 139 HG22 VAL 139 -1.005 4.353 -2.816 1037 HG23 VAL 139 HG23 VAL 139 0.031 4.540 -1.401 1038 H ALA 140 H ALA 140 -3.324 6.218 1.241 1039 HA ALA 140 HA ALA 140 -4.755 8.688 0.471 1040 HB1 ALA 140 HB1 ALA 140 -6.523 7.183 0.780 1041 HB2 ALA 140 HB2 ALA 140 -6.395 7.987 2.344 1042 HB3 ALA 140 HB3 ALA 140 -5.720 6.373 2.124 1043 H LYS 141 H LYS 141 -4.771 10.353 1.892 1044 HA LYS 141 HA LYS 141 -2.749 10.246 4.001 1045 HB2 LYS 141 HB2 LYS 141 -2.782 12.028 2.177 1046 HB3 LYS 141 HB3 LYS 141 -4.211 12.672 2.988 1047 HG2 LYS 141 HG2 LYS 141 -2.965 12.922 5.083 1048 HG3 LYS 141 HG3 LYS 141 -1.530 12.234 4.327 1049 HD2 LYS 141 HD2 LYS 141 -1.207 14.602 4.249 1050 HD3 LYS 141 HD3 LYS 141 -1.673 14.131 2.615 1051 HE2 LYS 141 HE2 LYS 141 -3.990 14.813 3.054 1052 HE3 LYS 141 HE3 LYS 141 -3.573 15.227 4.716 1053 HZ1 LYS 141 HZ1 LYS 141 -3.319 17.254 3.769 1054 HZ2 LYS 141 HZ2 LYS 141 -2.954 16.628 2.233 1055 HZ3 LYS 141 HZ3 LYS 141 -1.765 16.660 3.446 1056 H ALA 142 H ALA 142 -3.210 10.592 6.119 1057 HA ALA 142 HA ALA 142 -5.776 10.046 7.119 1058 HB1 ALA 142 HB1 ALA 142 -4.778 10.080 9.170 1059 HB2 ALA 142 HB2 ALA 142 -3.915 11.584 8.850 1060 HB3 ALA 142 HB3 ALA 142 -3.310 10.064 8.198 1061 H SER 143 H SER 143 -7.450 11.291 7.786 1062 HA SER 143 HA SER 143 -7.787 13.903 6.755 1063 HB2 SER 143 HB2 SER 143 -9.864 13.942 8.043 1064 HB3 SER 143 HB3 SER 143 -9.663 12.391 7.237 1065 HG SER 143 HG SER 143 -10.003 11.695 9.215 1066 H ARG 144 H ARG 144 -6.757 12.694 9.896 1067 HA ARG 144 HA ARG 144 -5.634 15.270 10.584 1068 HB2 ARG 144 HB2 ARG 144 -6.809 15.471 12.742 1069 HB3 ARG 144 HB3 ARG 144 -7.946 15.541 11.394 1070 HG2 ARG 144 HG2 ARG 144 -8.568 13.206 11.737 1071 HG3 ARG 144 HG3 ARG 144 -7.343 13.028 12.994 1072 HD2 ARG 144 HD2 ARG 144 -8.495 14.699 14.376 1073 HD3 ARG 144 HD3 ARG 144 -9.703 14.927 13.113 1074 HE ARG 144 HE ARG 144 -9.699 12.202 13.718 1075 HH11 ARG 144 HH11 ARG 144 -10.383 15.195 15.431 1076 HH12 ARG 144 HH12 ARG 144 -11.520 14.459 16.510 1077 HH21 ARG 144 HH21 ARG 144 -11.191 11.283 15.149 1078 HH22 ARG 144 HH22 ARG 144 -11.974 12.256 16.349 1079 H THR 145 H THR 145 -4.311 15.159 12.581 1080 HA THR 145 HA THR 145 -3.458 12.418 13.242 1081 HB THR 145 HB THR 145 -1.676 14.866 12.947 1082 HG1 THR 145 HG1 THR 145 -1.977 12.515 11.394 1083 HG21 THR 145 HG21 THR 145 -1.098 11.986 13.701 1084 HG22 THR 145 HG22 THR 145 -0.792 13.428 14.670 1085 HG23 THR 145 HG23 THR 145 0.150 13.132 13.210 1086 H GLU 146 H GLU 146 -3.933 12.026 15.266 1087 HA GLU 146 HA GLU 146 -3.227 13.797 17.387 1088 HB2 GLU 146 HB2 GLU 146 -5.370 14.797 16.486 1089 HB3 GLU 146 HB3 GLU 146 -6.190 13.333 17.036 1090 HG2 GLU 146 HG2 GLU 146 -5.433 13.749 19.333 1091 HG3 GLU 146 HG3 GLU 146 -4.551 15.175 18.799 1092 H LEU 147 H LEU 147 -3.552 12.828 19.492 1093 HA LEU 147 HA LEU 147 -3.558 11.094 20.991 1094 HB2 LEU 147 HB2 LEU 147 -5.581 9.973 19.026 1095 HB3 LEU 147 HB3 LEU 147 -5.185 9.208 20.560 1096 HG LEU 147 HG LEU 147 -6.129 12.080 20.355 1097 HD11 LEU 147 HD11 LEU 147 -7.793 10.357 19.494 1098 HD12 LEU 147 HD12 LEU 147 -8.345 11.339 20.850 1099 HD13 LEU 147 HD13 LEU 147 -7.804 9.684 21.123 1100 HD21 LEU 147 HD21 LEU 147 -4.996 11.637 22.444 1101 HD22 LEU 147 HD22 LEU 147 -5.820 10.088 22.626 1102 HD23 LEU 147 HD23 LEU 147 -6.725 11.592 22.786 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 4.859 6.711 1.927 2 H2 GLY 1 HT2 GLY 1 3.659 6.013 0.945 3 H3 GLY 1 HT3 GLY 1 4.855 7.003 0.258 4 HA2 GLY 1 HA2 GLY 1 4.978 4.209 1.054 5 HA3 GLY 1 HA3 GLY 1 5.814 5.045 -0.256 6 H SER 2 H SER 2 7.924 5.310 0.006 7 HA SER 2 HA SER 2 9.382 4.543 2.266 8 HB2 SER 2 HB2 SER 2 10.337 4.695 -0.009 9 HB3 SER 2 HB3 SER 2 10.257 6.449 0.090 10 HG SER 2 HG SER 2 12.070 6.354 1.145 11 H LYS 3 H LYS 3 7.668 7.472 1.725 12 HA LYS 3 HA LYS 3 9.206 9.367 3.094 13 HB2 LYS 3 HB2 LYS 3 6.214 9.091 2.763 14 HB3 LYS 3 HB3 LYS 3 6.976 10.491 3.523 15 HG2 LYS 3 HG2 LYS 3 8.149 11.060 1.510 16 HG3 LYS 3 HG3 LYS 3 7.726 9.521 0.753 17 HD2 LYS 3 HD2 LYS 3 6.215 11.099 -0.196 18 HD3 LYS 3 HD3 LYS 3 5.270 10.245 1.023 19 HE2 LYS 3 HE2 LYS 3 6.721 12.805 1.722 20 HE3 LYS 3 HE3 LYS 3 5.133 12.845 0.962 21 HZ1 LYS 3 HZ1 LYS 3 4.379 12.669 3.044 22 HZ2 LYS 3 HZ2 LYS 3 5.863 12.118 3.654 23 HZ3 LYS 3 HZ3 LYS 3 4.782 11.027 2.930 24 H GLY 4 H GLY 4 6.843 7.010 4.310 25 HA2 GLY 4 HA2 GLY 4 7.393 7.848 7.086 26 HA3 GLY 4 HA3 GLY 4 6.035 6.857 6.567 27 H THR 5 H THR 5 7.710 5.129 4.876 28 HA THR 5 HA THR 5 8.790 3.150 4.956 29 HB THR 5 HB THR 5 10.766 2.877 6.287 30 HG1 THR 5 HG1 THR 5 10.631 3.489 8.259 31 HG21 THR 5 HG21 THR 5 10.902 4.576 4.472 32 HG22 THR 5 HG22 THR 5 12.028 4.896 5.791 33 HG23 THR 5 HG23 THR 5 10.540 5.833 5.656 34 H VAL 6 H VAL 6 8.821 1.123 6.058 35 HA VAL 6 HA VAL 6 6.975 1.071 8.349 36 HB VAL 6 HB VAL 6 5.969 -1.001 7.420 37 HG11 VAL 6 HG11 VAL 6 4.825 1.075 6.985 38 HG12 VAL 6 HG12 VAL 6 4.788 0.128 5.498 39 HG13 VAL 6 HG13 VAL 6 5.926 1.466 5.665 40 HG21 VAL 6 HG21 VAL 6 7.975 -1.642 6.018 41 HG22 VAL 6 HG22 VAL 6 7.558 -0.338 4.907 42 HG23 VAL 6 HG23 VAL 6 6.451 -1.694 5.129 43 H SER 7 H SER 7 7.159 -0.804 9.746 44 HA SER 7 HA SER 7 9.824 -2.097 9.646 45 HB2 SER 7 HB2 SER 7 9.812 -2.086 12.104 46 HB3 SER 7 HB3 SER 7 9.705 -0.453 11.456 47 HG SER 7 HG SER 7 7.598 -2.088 12.447 48 H GLU 8 H GLU 8 6.441 -2.440 10.683 49 HA GLU 8 HA GLU 8 6.713 -5.358 10.354 50 HB2 GLU 8 HB2 GLU 8 5.253 -3.979 12.625 51 HB3 GLU 8 HB3 GLU 8 5.230 -5.717 12.304 52 HG2 GLU 8 HG2 GLU 8 7.682 -5.811 12.585 53 HG3 GLU 8 HG3 GLU 8 7.721 -4.080 12.888 54 HA PRO 9 HA PRO 9 3.089 -3.807 7.810 55 HB2 PRO 9 HB2 PRO 9 3.519 -5.420 5.664 56 HB3 PRO 9 HB3 PRO 9 4.331 -3.851 5.861 57 HG2 PRO 9 HG2 PRO 9 5.360 -6.593 6.434 58 HG3 PRO 9 HG3 PRO 9 6.169 -5.230 5.636 59 HD2 PRO 9 HD2 PRO 9 6.655 -5.842 8.225 60 HD3 PRO 9 HD3 PRO 9 6.668 -4.161 7.639 61 H THR 10 H THR 10 1.131 -4.895 7.343 62 HA THR 10 HA THR 10 0.906 -7.586 8.557 63 HB THR 10 HB THR 10 -1.184 -5.398 8.291 64 HG1 THR 10 HG1 THR 10 0.333 -6.385 10.472 65 HG21 THR 10 HG21 THR 10 -1.303 -8.066 9.740 66 HG22 THR 10 HG22 THR 10 -2.150 -7.689 8.240 67 HG23 THR 10 HG23 THR 10 -2.571 -6.841 9.728 68 H THR 11 H THR 11 0.269 -9.236 7.308 69 HA THR 11 HA THR 11 -0.838 -8.630 4.634 70 HB THR 11 HB THR 11 0.845 -11.022 5.458 71 HG1 THR 11 HG1 THR 11 2.287 -9.469 5.230 72 HG21 THR 11 HG21 THR 11 0.014 -10.153 2.679 73 HG22 THR 11 HG22 THR 11 -0.868 -11.367 3.606 74 HG23 THR 11 HG23 THR 11 0.808 -11.658 3.142 75 H VAL 12 H VAL 12 -2.845 -9.287 4.252 76 HA VAL 12 HA VAL 12 -3.928 -11.578 5.767 77 HB VAL 12 HB VAL 12 -5.364 -8.944 5.269 78 HG11 VAL 12 HG11 VAL 12 -6.855 -10.965 5.112 79 HG12 VAL 12 HG12 VAL 12 -7.248 -9.925 6.480 80 HG13 VAL 12 HG13 VAL 12 -6.348 -11.420 6.739 81 HG21 VAL 12 HG21 VAL 12 -4.219 -10.287 7.733 82 HG22 VAL 12 HG22 VAL 12 -5.427 -9.010 7.845 83 HG23 VAL 12 HG23 VAL 12 -3.858 -8.676 7.114 84 H ALA 13 H ALA 13 -5.021 -13.049 4.593 85 HA ALA 13 HA ALA 13 -5.366 -12.527 1.712 86 HB1 ALA 13 HB1 ALA 13 -4.049 -14.441 1.944 87 HB2 ALA 13 HB2 ALA 13 -5.665 -15.105 1.705 88 HB3 ALA 13 HB3 ALA 13 -4.974 -15.027 3.326 89 H PHE 14 H PHE 14 -7.326 -13.094 0.625 90 HA PHE 14 HA PHE 14 -9.624 -13.817 2.280 91 HB2 PHE 14 HB2 PHE 14 -11.013 -11.976 1.499 92 HB3 PHE 14 HB3 PHE 14 -9.575 -11.324 2.273 93 HD1 PHE 14 HD1 PHE 14 -11.434 -11.670 -0.855 94 HD2 PHE 14 HD2 PHE 14 -7.726 -10.365 0.878 95 HE1 PHE 14 HE1 PHE 14 -10.912 -10.405 -2.923 96 HE2 PHE 14 HE2 PHE 14 -7.208 -9.101 -1.196 97 HZ PHE 14 HZ PHE 14 -8.797 -9.118 -3.092 98 H ASP 15 H ASP 15 -11.538 -14.430 1.005 99 HA ASP 15 HA ASP 15 -10.709 -15.722 -1.505 100 HB2 ASP 15 HB2 ASP 15 -13.086 -16.329 0.269 101 HB3 ASP 15 HB3 ASP 15 -12.569 -17.253 -1.141 102 H VAL 16 H VAL 16 -11.488 -15.093 -3.391 103 HA VAL 16 HA VAL 16 -13.711 -13.174 -3.505 104 HB VAL 16 HB VAL 16 -11.736 -14.078 -5.647 105 HG11 VAL 16 HG11 VAL 16 -13.750 -13.405 -6.766 106 HG12 VAL 16 HG12 VAL 16 -12.651 -12.032 -6.864 107 HG13 VAL 16 HG13 VAL 16 -13.966 -12.023 -5.691 108 HG21 VAL 16 HG21 VAL 16 -10.782 -12.674 -3.788 109 HG22 VAL 16 HG22 VAL 16 -11.959 -11.424 -4.194 110 HG23 VAL 16 HG23 VAL 16 -10.720 -11.879 -5.363 111 H ARG 17 H ARG 17 -15.624 -14.154 -3.549 112 HA ARG 17 HA ARG 17 -15.894 -16.694 -5.001 113 HB2 ARG 17 HB2 ARG 17 -17.549 -15.542 -2.758 114 HB3 ARG 17 HB3 ARG 17 -17.911 -17.052 -3.599 115 HG2 ARG 17 HG2 ARG 17 -15.822 -18.041 -2.897 116 HG3 ARG 17 HG3 ARG 17 -15.248 -16.500 -2.247 117 HD2 ARG 17 HD2 ARG 17 -16.036 -17.952 -0.434 118 HD3 ARG 17 HD3 ARG 17 -17.059 -16.525 -0.573 119 HE ARG 17 HE ARG 17 -18.094 -18.716 -2.116 120 HH11 ARG 17 HH11 ARG 17 -17.881 -17.501 1.175 121 HH12 ARG 17 HH12 ARG 17 -19.308 -18.329 1.701 122 HH21 ARG 17 HH21 ARG 17 -19.946 -19.784 -1.385 123 HH22 ARG 17 HH22 ARG 17 -20.469 -19.614 0.258 124 HA PRO 18 HA PRO 18 -18.295 -14.057 -7.884 125 HB2 PRO 18 HB2 PRO 18 -18.568 -15.795 -9.892 126 HB3 PRO 18 HB3 PRO 18 -17.015 -15.001 -9.558 127 HG2 PRO 18 HG2 PRO 18 -17.933 -17.738 -8.791 128 HG3 PRO 18 HG3 PRO 18 -16.387 -17.235 -9.505 129 HD2 PRO 18 HD2 PRO 18 -16.654 -17.689 -6.849 130 HD3 PRO 18 HD3 PRO 18 -15.550 -16.443 -7.486 131 H GLY 19 H GLY 19 -20.378 -14.294 -9.089 132 HA2 GLY 19 HA2 GLY 19 -22.357 -15.970 -9.222 133 HA3 GLY 19 HA3 GLY 19 -22.337 -15.794 -7.469 134 H GLY 20 H GLY 20 -21.446 -12.903 -9.085 135 HA2 GLY 20 HA2 GLY 20 -22.508 -10.924 -9.556 136 HA3 GLY 20 HA3 GLY 20 -24.018 -11.822 -9.664 137 H VAL 21 H VAL 21 -22.055 -11.976 -6.774 138 HA VAL 21 HA VAL 21 -24.091 -10.403 -5.314 139 HB VAL 21 HB VAL 21 -22.246 -12.580 -4.272 140 HG11 VAL 21 HG11 VAL 21 -24.576 -11.240 -2.869 141 HG12 VAL 21 HG12 VAL 21 -22.893 -10.773 -2.623 142 HG13 VAL 21 HG13 VAL 21 -23.433 -12.391 -2.174 143 HG21 VAL 21 HG21 VAL 21 -24.049 -13.449 -5.740 144 HG22 VAL 21 HG22 VAL 21 -25.247 -12.604 -4.760 145 HG23 VAL 21 HG23 VAL 21 -24.310 -13.926 -4.062 146 H VAL 22 H VAL 22 -23.499 -8.584 -4.388 147 HA VAL 22 HA VAL 22 -20.844 -7.556 -4.715 148 HB VAL 22 HB VAL 22 -23.194 -6.458 -3.120 149 HG11 VAL 22 HG11 VAL 22 -21.155 -5.408 -2.341 150 HG12 VAL 22 HG12 VAL 22 -21.968 -4.265 -3.410 151 HG13 VAL 22 HG13 VAL 22 -20.580 -5.183 -3.994 152 HG21 VAL 22 HG21 VAL 22 -22.213 -5.930 -5.947 153 HG22 VAL 22 HG22 VAL 22 -23.422 -4.945 -5.124 154 HG23 VAL 22 HG23 VAL 22 -23.759 -6.640 -5.478 155 H HIS 23 H HIS 23 -19.178 -7.930 -3.482 156 HA HIS 23 HA HIS 23 -19.599 -8.719 -0.653 157 HB2 HIS 23 HB2 HIS 23 -17.381 -9.552 -2.531 158 HB3 HIS 23 HB3 HIS 23 -17.472 -9.969 -0.822 159 HD2 HIS 23 HD2 HIS 23 -18.661 -11.369 -4.164 160 HE1 HIS 23 HE1 HIS 23 -21.115 -13.190 -1.255 161 HE2 HIS 23 HE2 HIS 23 -20.406 -13.251 -3.689 162 H SER 24 H SER 24 -18.506 -7.698 0.887 163 HA SER 24 HA SER 24 -16.553 -5.624 0.078 164 HB2 SER 24 HB2 SER 24 -18.596 -5.477 2.308 165 HB3 SER 24 HB3 SER 24 -17.335 -4.286 1.998 166 HG SER 24 HG SER 24 -19.507 -5.046 0.336 167 H PHE 25 H PHE 25 -14.654 -5.688 1.013 168 HA PHE 25 HA PHE 25 -14.288 -7.196 3.522 169 HB2 PHE 25 HB2 PHE 25 -13.619 -8.628 1.585 170 HB3 PHE 25 HB3 PHE 25 -12.448 -7.394 1.114 171 HD1 PHE 25 HD1 PHE 25 -13.389 -9.800 3.774 172 HD2 PHE 25 HD2 PHE 25 -10.353 -7.154 2.281 173 HE1 PHE 25 HE1 PHE 25 -11.768 -10.751 5.391 174 HE2 PHE 25 HE2 PHE 25 -8.731 -8.107 3.899 175 HZ PHE 25 HZ PHE 25 -9.439 -9.904 5.453 176 H SER 26 H SER 26 -13.014 -6.163 4.991 177 HA SER 26 HA SER 26 -11.381 -3.880 4.083 178 HB2 SER 26 HB2 SER 26 -12.273 -2.461 5.832 179 HB3 SER 26 HB3 SER 26 -13.585 -3.051 4.819 180 HG SER 26 HG SER 26 -13.492 -3.232 7.369 181 H HIS 27 H HIS 27 -9.930 -3.046 5.792 182 HA HIS 27 HA HIS 27 -9.181 -4.940 7.888 183 HB2 HIS 27 HB2 HIS 27 -7.986 -5.651 5.792 184 HB3 HIS 27 HB3 HIS 27 -7.183 -4.079 5.780 185 HD2 HIS 27 HD2 HIS 27 -7.027 -7.460 7.750 186 HE1 HIS 27 HE1 HIS 27 -4.011 -4.934 9.282 187 HE2 HIS 27 HE2 HIS 27 -4.955 -7.292 9.326 188 H ASN 28 H ASN 28 -7.937 -4.036 9.530 189 HA ASN 28 HA ASN 28 -7.096 -1.241 9.376 190 HB2 ASN 28 HB2 ASN 28 -8.369 -0.611 11.390 191 HB3 ASN 28 HB3 ASN 28 -9.440 -1.054 10.060 192 HD21 ASN 28 HD21 ASN 28 -11.214 -1.947 11.194 193 HD22 ASN 28 HD22 ASN 28 -11.084 -3.258 12.263 194 H VAL 29 H VAL 29 -6.039 -0.523 11.387 195 HA VAL 29 HA VAL 29 -4.594 -2.777 12.642 196 HB VAL 29 HB VAL 29 -3.275 -1.619 10.891 197 HG11 VAL 29 HG11 VAL 29 -2.720 0.638 10.937 198 HG12 VAL 29 HG12 VAL 29 -3.100 0.818 12.643 199 HG13 VAL 29 HG13 VAL 29 -4.400 0.674 11.463 200 HG21 VAL 29 HG21 VAL 29 -1.308 -1.075 12.409 201 HG22 VAL 29 HG22 VAL 29 -2.035 -2.671 12.612 202 HG23 VAL 29 HG23 VAL 29 -2.392 -1.386 13.763 203 H GLY 30 H GLY 30 -3.971 -2.539 14.810 204 HA2 GLY 30 HA2 GLY 30 -5.758 -1.615 16.600 205 HA3 GLY 30 HA3 GLY 30 -4.047 -1.715 16.993 206 HA PRO 31 HA PRO 31 -3.670 2.724 17.559 207 HB2 PRO 31 HB2 PRO 31 -1.742 2.868 15.277 208 HB3 PRO 31 HB3 PRO 31 -1.567 3.465 16.944 209 HG2 PRO 31 HG2 PRO 31 -0.292 1.300 16.220 210 HG3 PRO 31 HG3 PRO 31 -1.124 1.345 17.791 211 HD2 PRO 31 HD2 PRO 31 -2.006 0.017 15.242 212 HD3 PRO 31 HD3 PRO 31 -2.101 -0.587 16.916 213 H GLY 32 H GLY 32 -3.723 1.738 14.170 214 HA2 GLY 32 HA2 GLY 32 -5.126 4.159 13.318 215 HA3 GLY 32 HA3 GLY 32 -4.472 2.907 12.264 216 H ASP 33 H ASP 33 -6.573 2.380 15.081 217 HA ASP 33 HA ASP 33 -8.279 0.581 13.752 218 HB2 ASP 33 HB2 ASP 33 -8.049 0.726 16.218 219 HB3 ASP 33 HB3 ASP 33 -8.936 2.253 16.189 220 H LYS 34 H LYS 34 -8.488 4.056 14.214 221 HA LYS 34 HA LYS 34 -11.118 4.453 13.249 222 HB2 LYS 34 HB2 LYS 34 -8.712 6.282 13.354 223 HB3 LYS 34 HB3 LYS 34 -10.315 6.810 12.839 224 HG2 LYS 34 HG2 LYS 34 -9.812 5.473 15.512 225 HG3 LYS 34 HG3 LYS 34 -9.769 7.223 15.296 226 HD2 LYS 34 HD2 LYS 34 -12.110 7.100 14.370 227 HD3 LYS 34 HD3 LYS 34 -12.141 5.388 14.803 228 HE2 LYS 34 HE2 LYS 34 -11.621 7.639 16.763 229 HE3 LYS 34 HE3 LYS 34 -13.178 6.839 16.547 230 HZ1 LYS 34 HZ1 LYS 34 -12.256 5.650 18.267 231 HZ2 LYS 34 HZ2 LYS 34 -10.675 5.761 17.653 232 HZ3 LYS 34 HZ3 LYS 34 -11.799 4.707 16.935 233 H TYR 35 H TYR 35 -7.974 4.214 11.648 234 HA TYR 35 HA TYR 35 -9.103 4.925 9.043 235 HB2 TYR 35 HB2 TYR 35 -6.280 4.077 9.789 236 HB3 TYR 35 HB3 TYR 35 -6.787 4.735 8.236 237 HD1 TYR 35 HD1 TYR 35 -5.777 5.511 11.622 238 HD2 TYR 35 HD2 TYR 35 -7.752 7.100 8.156 239 HE1 TYR 35 HE1 TYR 35 -5.485 7.805 12.511 240 HE2 TYR 35 HE2 TYR 35 -7.454 9.399 9.048 241 HH TYR 35 HH TYR 35 -6.621 10.036 12.233 242 H THR 36 H THR 36 -10.088 3.421 7.848 243 HA THR 36 HA THR 36 -9.069 0.642 7.901 244 HB THR 36 HB THR 36 -11.981 1.499 7.907 245 HG1 THR 36 HG1 THR 36 -11.922 0.454 9.956 246 HG21 THR 36 HG21 THR 36 -10.805 -1.295 8.058 247 HG22 THR 36 HG22 THR 36 -11.484 -0.585 6.591 248 HG23 THR 36 HG23 THR 36 -12.517 -0.863 7.992 249 H CYS 37 H CYS 37 -8.737 -0.277 5.956 250 HA CYS 37 HA CYS 37 -9.472 1.188 3.521 251 HB2 CYS 37 HB2 CYS 37 -7.764 -1.289 3.937 252 HB3 CYS 37 HB3 CYS 37 -8.129 -0.593 2.359 253 H MET 38 H MET 38 -10.929 0.433 2.036 254 HA MET 38 HA MET 38 -12.379 -2.058 2.699 255 HB2 MET 38 HB2 MET 38 -13.567 0.541 1.733 256 HB3 MET 38 HB3 MET 38 -14.446 -0.980 1.887 257 HG2 MET 38 HG2 MET 38 -13.929 -1.053 4.287 258 HG3 MET 38 HG3 MET 38 -13.053 0.472 4.146 259 HE1 MET 38 HE1 MET 38 -17.508 -0.378 3.957 260 HE2 MET 38 HE2 MET 38 -16.144 -1.491 3.986 261 HE3 MET 38 HE3 MET 38 -16.583 -0.695 2.479 262 H PHE 39 H PHE 39 -13.153 -3.256 1.041 263 HA PHE 39 HA PHE 39 -12.524 -2.434 -1.707 264 HB2 PHE 39 HB2 PHE 39 -10.602 -3.779 -0.902 265 HB3 PHE 39 HB3 PHE 39 -11.695 -5.104 -0.516 266 HD1 PHE 39 HD1 PHE 39 -10.866 -2.827 -3.391 267 HD2 PHE 39 HD2 PHE 39 -11.968 -6.786 -2.145 268 HE1 PHE 39 HE1 PHE 39 -10.704 -3.611 -5.731 269 HE2 PHE 39 HE2 PHE 39 -11.804 -7.568 -4.492 270 HZ PHE 39 HZ PHE 39 -11.171 -5.980 -6.284 271 H THR 40 H THR 40 -14.356 -2.474 -2.732 272 HA THR 40 HA THR 40 -16.329 -4.609 -2.174 273 HB THR 40 HB THR 40 -16.764 -1.859 -3.408 274 HG1 THR 40 HG1 THR 40 -17.666 -1.364 -1.454 275 HG21 THR 40 HG21 THR 40 -18.304 -3.734 -4.173 276 HG22 THR 40 HG22 THR 40 -19.110 -2.374 -3.393 277 HG23 THR 40 HG23 THR 40 -18.842 -3.870 -2.499 278 H TYR 41 H TYR 41 -16.733 -6.040 -3.763 279 HA TYR 41 HA TYR 41 -16.067 -5.380 -6.536 280 HB2 TYR 41 HB2 TYR 41 -14.680 -7.394 -6.809 281 HB3 TYR 41 HB3 TYR 41 -13.981 -6.281 -5.636 282 HD1 TYR 41 HD1 TYR 41 -15.598 -9.552 -6.119 283 HD2 TYR 41 HD2 TYR 41 -14.038 -6.794 -3.223 284 HE1 TYR 41 HE1 TYR 41 -15.615 -11.345 -4.402 285 HE2 TYR 41 HE2 TYR 41 -14.050 -8.583 -1.509 286 HH TYR 41 HH TYR 41 -15.747 -11.231 -1.622 287 H ALA 42 H ALA 42 -16.771 -6.940 -8.081 288 HA ALA 42 HA ALA 42 -18.817 -8.850 -7.178 289 HB1 ALA 42 HB1 ALA 42 -20.213 -7.022 -7.700 290 HB2 ALA 42 HB2 ALA 42 -20.247 -8.024 -9.151 291 HB3 ALA 42 HB3 ALA 42 -19.245 -6.572 -9.104 292 H SER 43 H SER 43 -18.766 -10.736 -8.287 293 HA SER 43 HA SER 43 -17.283 -10.856 -10.838 294 HB2 SER 43 HB2 SER 43 -16.831 -12.687 -8.479 295 HB3 SER 43 HB3 SER 43 -16.096 -12.846 -10.073 296 HG SER 43 HG SER 43 -14.663 -11.709 -8.840 297 H GLN 44 H GLN 44 -17.669 -12.730 -12.100 298 HA GLN 44 HA GLN 44 -20.156 -14.185 -11.462 299 HB2 GLN 44 HB2 GLN 44 -20.524 -12.374 -13.174 300 HB3 GLN 44 HB3 GLN 44 -19.386 -13.217 -14.224 301 HG2 GLN 44 HG2 GLN 44 -21.670 -13.881 -14.814 302 HG3 GLN 44 HG3 GLN 44 -20.818 -15.254 -14.106 303 HE21 GLN 44 HE21 GLN 44 -22.285 -16.393 -12.823 304 HE22 GLN 44 HE22 GLN 44 -23.399 -15.680 -11.757 305 H GLY 45 H GLY 45 -19.976 -16.315 -11.605 306 HA2 GLY 45 HA2 GLY 45 -18.911 -18.025 -13.338 307 HA3 GLY 45 HA3 GLY 45 -17.463 -17.504 -12.469 308 H GLY 46 H GLY 46 -17.762 -20.045 -12.139 309 HA2 GLY 46 HA2 GLY 46 -19.329 -20.474 -9.660 310 HA3 GLY 46 HA3 GLY 46 -18.970 -21.732 -10.835 311 H THR 47 H THR 47 -16.201 -19.819 -10.448 312 HA THR 47 HA THR 47 -15.161 -21.575 -8.295 313 HB THR 47 HB THR 47 -13.649 -20.662 -10.764 314 HG1 THR 47 HG1 THR 47 -15.040 -22.259 -11.358 315 HG21 THR 47 HG21 THR 47 -11.957 -22.329 -9.935 316 HG22 THR 47 HG22 THR 47 -12.895 -22.473 -8.448 317 HG23 THR 47 HG23 THR 47 -12.147 -20.933 -8.873 318 H ASN 48 H ASN 48 -14.218 -20.593 -6.641 319 HA ASN 48 HA ASN 48 -14.042 -17.717 -6.626 320 HB2 ASN 48 HB2 ASN 48 -13.494 -17.961 -4.248 321 HB3 ASN 48 HB3 ASN 48 -14.920 -18.910 -4.663 322 HD21 ASN 48 HD21 ASN 48 -14.317 -20.169 -2.636 323 HD22 ASN 48 HD22 ASN 48 -13.154 -21.397 -2.762 324 H GLU 49 H GLU 49 -11.967 -16.905 -5.280 325 HA GLU 49 HA GLU 49 -9.516 -18.114 -6.332 326 HB2 GLU 49 HB2 GLU 49 -10.271 -16.462 -8.024 327 HB3 GLU 49 HB3 GLU 49 -10.260 -15.214 -6.781 328 HG2 GLU 49 HG2 GLU 49 -8.192 -15.113 -8.106 329 HG3 GLU 49 HG3 GLU 49 -7.832 -15.556 -6.442 330 H GLN 50 H GLN 50 -7.639 -17.464 -5.237 331 HA GLN 50 HA GLN 50 -8.135 -16.353 -2.552 332 HB2 GLN 50 HB2 GLN 50 -5.853 -18.032 -3.612 333 HB3 GLN 50 HB3 GLN 50 -5.931 -17.370 -1.979 334 HG2 GLN 50 HG2 GLN 50 -8.036 -18.575 -1.572 335 HG3 GLN 50 HG3 GLN 50 -7.986 -19.231 -3.211 336 HE21 GLN 50 HE21 GLN 50 -7.588 -21.446 -2.778 337 HE22 GLN 50 HE22 GLN 50 -6.246 -22.009 -1.904 338 H TRP 51 H TRP 51 -7.363 -14.439 -2.003 339 HA TRP 51 HA TRP 51 -5.325 -13.145 -3.716 340 HB2 TRP 51 HB2 TRP 51 -7.842 -11.980 -2.545 341 HB3 TRP 51 HB3 TRP 51 -6.524 -10.984 -3.152 342 HD1 TRP 51 HD1 TRP 51 -8.766 -13.879 -4.427 343 HE1 TRP 51 HE1 TRP 51 -9.214 -13.478 -6.941 344 HE3 TRP 51 HE3 TRP 51 -5.958 -9.684 -5.164 345 HZ2 TRP 51 HZ2 TRP 51 -8.480 -11.610 -8.986 346 HZ3 TRP 51 HZ3 TRP 51 -5.849 -8.608 -7.395 347 HH2 TRP 51 HH2 TRP 51 -7.101 -9.561 -9.309 348 H GLN 52 H GLN 52 -3.814 -11.878 -2.744 349 HA GLN 52 HA GLN 52 -3.649 -12.040 0.205 350 HB2 GLN 52 HB2 GLN 52 -1.456 -11.549 -1.830 351 HB3 GLN 52 HB3 GLN 52 -1.237 -11.586 -0.085 352 HG2 GLN 52 HG2 GLN 52 -2.035 -13.911 -0.005 353 HG3 GLN 52 HG3 GLN 52 -2.281 -13.892 -1.751 354 HE21 GLN 52 HE21 GLN 52 -0.123 -14.968 0.510 355 HE22 GLN 52 HE22 GLN 52 1.305 -14.906 -0.407 356 H MET 53 H MET 53 -3.493 -10.208 1.420 357 HA MET 53 HA MET 53 -3.488 -7.610 -0.001 358 HB2 MET 53 HB2 MET 53 -4.942 -8.276 2.577 359 HB3 MET 53 HB3 MET 53 -4.869 -6.703 1.799 360 HG2 MET 53 HG2 MET 53 -6.016 -7.586 -0.176 361 HG3 MET 53 HG3 MET 53 -6.037 -9.193 0.538 362 HE1 MET 53 HE1 MET 53 -7.784 -5.496 2.463 363 HE2 MET 53 HE2 MET 53 -8.229 -5.588 0.765 364 HE3 MET 53 HE3 MET 53 -6.533 -5.614 1.217 365 H SER 54 H SER 54 -2.148 -6.072 0.760 366 HA SER 54 HA SER 54 -0.702 -6.592 3.270 367 HB2 SER 54 HB2 SER 54 0.572 -5.910 0.619 368 HB3 SER 54 HB3 SER 54 1.402 -5.803 2.169 369 HG SER 54 HG SER 54 1.768 -7.858 1.853 370 H LEU 55 H LEU 55 -0.362 -4.863 4.500 371 HA LEU 55 HA LEU 55 -0.814 -2.187 3.374 372 HB2 LEU 55 HB2 LEU 55 -2.253 -1.571 5.265 373 HB3 LEU 55 HB3 LEU 55 -2.986 -2.831 4.278 374 HG LEU 55 HG LEU 55 -1.301 -3.733 6.624 375 HD11 LEU 55 HD11 LEU 55 -3.059 -3.418 8.234 376 HD12 LEU 55 HD12 LEU 55 -4.150 -2.783 7.001 377 HD13 LEU 55 HD13 LEU 55 -2.733 -1.853 7.488 378 HD21 LEU 55 HD21 LEU 55 -2.803 -5.591 6.640 379 HD22 LEU 55 HD22 LEU 55 -2.553 -5.249 4.931 380 HD23 LEU 55 HD23 LEU 55 -4.030 -4.715 5.728 381 H GLY 56 H GLY 56 0.092 -0.486 4.539 382 HA2 GLY 56 HA2 GLY 56 1.741 -1.081 6.870 383 HA3 GLY 56 HA3 GLY 56 2.596 -0.549 5.424 384 H THR 57 H THR 57 2.526 0.838 7.913 385 HA THR 57 HA THR 57 1.195 3.344 7.078 386 HB THR 57 HB THR 57 0.640 3.806 9.434 387 HG1 THR 57 HG1 THR 57 1.724 2.693 10.825 388 HG21 THR 57 HG21 THR 57 -1.213 2.266 9.627 389 HG22 THR 57 HG22 THR 57 -0.400 1.089 8.596 390 HG23 THR 57 HG23 THR 57 -0.968 2.612 7.914 391 H SER 58 H SER 58 2.123 5.281 7.952 392 HA SER 58 HA SER 58 4.980 5.315 7.891 393 HB2 SER 58 HB2 SER 58 3.719 7.213 7.044 394 HB3 SER 58 HB3 SER 58 2.964 7.450 8.618 395 HG SER 58 HG SER 58 4.799 8.822 8.212 396 H GLU 59 H GLU 59 6.401 6.025 9.604 397 HA GLU 59 HA GLU 59 6.013 4.704 12.048 398 HB2 GLU 59 HB2 GLU 59 7.997 5.935 12.850 399 HB3 GLU 59 HB3 GLU 59 8.252 5.295 11.228 400 HG2 GLU 59 HG2 GLU 59 7.690 7.514 10.272 401 HG3 GLU 59 HG3 GLU 59 7.465 8.148 11.904 402 H ASP 60 H ASP 60 5.023 7.890 11.039 403 HA ASP 60 HA ASP 60 4.236 8.646 13.770 404 HB2 ASP 60 HB2 ASP 60 4.108 10.233 11.198 405 HB3 ASP 60 HB3 ASP 60 3.692 10.838 12.803 406 H HIS 61 H HIS 61 2.916 6.841 11.333 407 HA HIS 61 HA HIS 61 0.824 6.097 10.815 408 HB2 HIS 61 HB2 HIS 61 0.144 7.392 13.469 409 HB3 HIS 61 HB3 HIS 61 -0.933 6.321 12.567 410 HD2 HIS 61 HD2 HIS 61 2.674 6.038 14.238 411 HE1 HIS 61 HE1 HIS 61 0.955 2.188 14.006 412 HE2 HIS 61 HE2 HIS 61 2.952 3.514 14.843 413 H GLN 62 H GLN 62 1.723 8.770 9.941 414 HA GLN 62 HA GLN 62 -0.701 10.367 9.776 415 HB2 GLN 62 HB2 GLN 62 0.700 11.955 8.486 416 HB3 GLN 62 HB3 GLN 62 1.401 11.558 10.054 417 HG2 GLN 62 HG2 GLN 62 2.936 9.990 9.041 418 HG3 GLN 62 HG3 GLN 62 2.168 10.191 7.471 419 HE21 GLN 62 HE21 GLN 62 4.853 11.155 9.192 420 HE22 GLN 62 HE22 GLN 62 5.148 12.647 8.438 421 H HIS 63 H HIS 63 1.145 8.173 7.740 422 HA HIS 63 HA HIS 63 -0.839 8.555 5.571 423 HB2 HIS 63 HB2 HIS 63 2.068 7.744 5.389 424 HB3 HIS 63 HB3 HIS 63 0.928 7.611 4.048 425 HD2 HIS 63 HD2 HIS 63 3.256 10.241 5.529 426 HE1 HIS 63 HE1 HIS 63 0.477 12.338 3.146 427 HE2 HIS 63 HE2 HIS 63 2.684 12.518 4.390 428 H PHE 64 H PHE 64 -1.973 6.863 4.859 429 HA PHE 64 HA PHE 64 -1.296 4.170 5.900 430 HB2 PHE 64 HB2 PHE 64 -4.007 5.460 5.572 431 HB3 PHE 64 HB3 PHE 64 -3.783 3.728 5.825 432 HD1 PHE 64 HD1 PHE 64 -3.155 7.086 7.314 433 HD2 PHE 64 HD2 PHE 64 -3.295 2.847 7.988 434 HE1 PHE 64 HE1 PHE 64 -2.961 7.467 9.758 435 HE2 PHE 64 HE2 PHE 64 -3.098 3.228 10.430 436 HZ PHE 64 HZ PHE 64 -2.932 5.539 11.316 437 H THR 65 H THR 65 -1.066 2.585 4.427 438 HA THR 65 HA THR 65 -2.181 3.027 1.720 439 HB THR 65 HB THR 65 -0.153 1.984 0.767 440 HG1 THR 65 HG1 THR 65 1.382 1.262 2.020 441 HG21 THR 65 HG21 THR 65 -0.425 4.480 1.083 442 HG22 THR 65 HG22 THR 65 1.240 3.920 0.930 443 HG23 THR 65 HG23 THR 65 0.588 4.335 2.517 444 H CYS 66 H CYS 66 -3.015 1.289 0.684 445 HA CYS 66 HA CYS 66 -2.779 -1.364 1.927 446 HB2 CYS 66 HB2 CYS 66 -5.387 -0.049 1.107 447 HB3 CYS 66 HB3 CYS 66 -5.203 -1.758 1.524 448 H THR 67 H THR 67 -2.477 -2.976 0.493 449 HA THR 67 HA THR 67 -2.900 -2.393 -2.382 450 HB THR 67 HB THR 67 -0.530 -3.860 -1.184 451 HG1 THR 67 HG1 THR 67 0.249 -1.930 -1.005 452 HG21 THR 67 HG21 THR 67 -0.826 -2.876 -4.023 453 HG22 THR 67 HG22 THR 67 -1.398 -4.476 -3.554 454 HG23 THR 67 HG23 THR 67 0.308 -4.067 -3.386 455 H ILE 68 H ILE 68 -3.985 -3.913 -3.493 456 HA ILE 68 HA ILE 68 -4.387 -6.573 -2.241 457 HB ILE 68 HB ILE 68 -6.435 -4.964 -3.826 458 HG12 ILE 68 HG12 ILE 68 -6.516 -5.721 -0.887 459 HG13 ILE 68 HG13 ILE 68 -5.866 -4.177 -1.435 460 HG21 ILE 68 HG21 ILE 68 -6.625 -7.642 -2.392 461 HG22 ILE 68 HG22 ILE 68 -6.714 -7.386 -4.134 462 HG23 ILE 68 HG23 ILE 68 -7.995 -6.774 -3.088 463 HD11 ILE 68 HD11 ILE 68 -8.294 -4.070 -0.764 464 HD12 ILE 68 HD12 ILE 68 -8.661 -5.174 -2.090 465 HD13 ILE 68 HD13 ILE 68 -8.002 -3.573 -2.430 466 H TRP 69 H TRP 69 -3.720 -8.240 -3.481 467 HA TRP 69 HA TRP 69 -4.176 -8.256 -6.329 468 HB2 TRP 69 HB2 TRP 69 -1.897 -8.509 -7.090 469 HB3 TRP 69 HB3 TRP 69 -1.978 -7.035 -6.136 470 HD1 TRP 69 HD1 TRP 69 -0.281 -10.358 -6.329 471 HE1 TRP 69 HE1 TRP 69 1.349 -10.641 -4.353 472 HE3 TRP 69 HE3 TRP 69 -1.689 -6.389 -3.476 473 HZ2 TRP 69 HZ2 TRP 69 1.965 -9.356 -1.887 474 HZ3 TRP 69 HZ3 TRP 69 -0.565 -5.939 -1.303 475 HH2 TRP 69 HH2 TRP 69 1.259 -7.428 -0.515 476 H ARG 70 H ARG 70 -3.682 -10.370 -7.315 477 HA ARG 70 HA ARG 70 -4.184 -12.510 -5.401 478 HB2 ARG 70 HB2 ARG 70 -4.699 -13.908 -7.325 479 HB3 ARG 70 HB3 ARG 70 -5.496 -12.354 -7.545 480 HG2 ARG 70 HG2 ARG 70 -3.692 -11.618 -9.038 481 HG3 ARG 70 HG3 ARG 70 -2.847 -13.144 -8.731 482 HD2 ARG 70 HD2 ARG 70 -4.018 -13.319 -10.856 483 HD3 ARG 70 HD3 ARG 70 -4.786 -14.375 -9.671 484 HE ARG 70 HE ARG 70 -6.684 -13.009 -9.731 485 HH11 ARG 70 HH11 ARG 70 -4.048 -11.415 -11.422 486 HH12 ARG 70 HH12 ARG 70 -5.067 -10.197 -12.115 487 HH21 ARG 70 HH21 ARG 70 -7.984 -11.428 -10.696 488 HH22 ARG 70 HH22 ARG 70 -7.283 -10.205 -11.701 489 HA PRO 71 HA PRO 71 0.013 -14.005 -5.217 490 HB2 PRO 71 HB2 PRO 71 -0.267 -16.650 -4.848 491 HB3 PRO 71 HB3 PRO 71 -0.804 -15.467 -3.632 492 HG2 PRO 71 HG2 PRO 71 -2.432 -16.842 -5.735 493 HG3 PRO 71 HG3 PRO 71 -2.766 -16.686 -3.986 494 HD2 PRO 71 HD2 PRO 71 -3.908 -15.107 -5.825 495 HD3 PRO 71 HD3 PRO 71 -3.462 -14.489 -4.216 496 H GLN 72 H GLN 72 -2.017 -15.966 -7.398 497 HA GLN 72 HA GLN 72 0.042 -17.267 -8.812 498 HB2 GLN 72 HB2 GLN 72 -2.821 -16.652 -9.516 499 HB3 GLN 72 HB3 GLN 72 -1.770 -17.633 -10.548 500 HG2 GLN 72 HG2 GLN 72 -1.390 -19.193 -8.678 501 HG3 GLN 72 HG3 GLN 72 -2.422 -18.208 -7.639 502 HE21 GLN 72 HE21 GLN 72 -4.169 -19.679 -7.353 503 HE22 GLN 72 HE22 GLN 72 -5.113 -20.264 -8.637 504 H GLY 73 H GLY 73 -1.632 -14.282 -9.405 505 HA2 GLY 73 HA2 GLY 73 -0.632 -12.382 -10.483 506 HA3 GLY 73 HA3 GLY 73 0.391 -13.488 -11.398 507 H LYS 74 H LYS 74 -2.150 -15.221 -11.818 508 HA LYS 74 HA LYS 74 -3.656 -13.521 -13.660 509 HB2 LYS 74 HB2 LYS 74 -3.532 -15.284 -15.437 510 HB3 LYS 74 HB3 LYS 74 -2.016 -14.434 -15.151 511 HG2 LYS 74 HG2 LYS 74 -1.304 -16.344 -13.660 512 HG3 LYS 74 HG3 LYS 74 -2.768 -17.206 -14.144 513 HD2 LYS 74 HD2 LYS 74 -0.766 -16.158 -16.161 514 HD3 LYS 74 HD3 LYS 74 -0.646 -17.774 -15.465 515 HE2 LYS 74 HE2 LYS 74 -2.928 -18.290 -16.288 516 HE3 LYS 74 HE3 LYS 74 -3.022 -16.682 -17.010 517 HZ1 LYS 74 HZ1 LYS 74 -0.839 -18.572 -17.667 518 HZ2 LYS 74 HZ2 LYS 74 -1.331 -17.189 -18.521 519 HZ3 LYS 74 HZ3 LYS 74 -2.311 -18.578 -18.509 520 H SER 75 H SER 75 -5.734 -13.771 -13.298 521 HA SER 75 HA SER 75 -6.735 -16.397 -12.375 522 HB2 SER 75 HB2 SER 75 -6.971 -14.804 -10.573 523 HB3 SER 75 HB3 SER 75 -7.721 -13.632 -11.657 524 HG SER 75 HG SER 75 -8.926 -15.438 -10.229 525 H TYR 76 H TYR 76 -8.421 -17.293 -13.470 526 HA TYR 76 HA TYR 76 -9.499 -15.726 -15.743 527 HB2 TYR 76 HB2 TYR 76 -10.201 -18.241 -16.480 528 HB3 TYR 76 HB3 TYR 76 -8.677 -17.496 -16.945 529 HD1 TYR 76 HD1 TYR 76 -10.256 -19.728 -14.381 530 HD2 TYR 76 HD2 TYR 76 -6.609 -18.451 -16.256 531 HE1 TYR 76 HE1 TYR 76 -9.019 -21.542 -13.219 532 HE2 TYR 76 HE2 TYR 76 -5.375 -20.259 -15.098 533 HH TYR 76 HH TYR 76 -5.664 -22.265 -13.968 534 H LEU 77 H LEU 77 -11.066 -14.720 -14.573 535 HA LEU 77 HA LEU 77 -13.520 -16.273 -14.271 536 HB2 LEU 77 HB2 LEU 77 -12.309 -14.568 -12.088 537 HB3 LEU 77 HB3 LEU 77 -14.043 -14.892 -12.161 538 HG LEU 77 HG LEU 77 -11.984 -17.120 -12.213 539 HD11 LEU 77 HD11 LEU 77 -11.715 -15.806 -10.131 540 HD12 LEU 77 HD12 LEU 77 -12.406 -17.395 -9.806 541 HD13 LEU 77 HD13 LEU 77 -13.443 -15.969 -9.815 542 HD21 LEU 77 HD21 LEU 77 -14.155 -17.824 -12.974 543 HD22 LEU 77 HD22 LEU 77 -14.963 -16.936 -11.681 544 HD23 LEU 77 HD23 LEU 77 -14.012 -18.373 -11.303 545 H TYR 78 H TYR 78 -15.441 -14.992 -14.589 546 HA TYR 78 HA TYR 78 -14.930 -12.589 -16.170 547 HB2 TYR 78 HB2 TYR 78 -16.558 -14.375 -16.909 548 HB3 TYR 78 HB3 TYR 78 -17.598 -13.891 -15.565 549 HD1 TYR 78 HD1 TYR 78 -16.042 -12.764 -18.741 550 HD2 TYR 78 HD2 TYR 78 -18.855 -11.833 -15.628 551 HE1 TYR 78 HE1 TYR 78 -16.936 -10.898 -20.106 552 HE2 TYR 78 HE2 TYR 78 -19.750 -9.968 -16.996 553 HH TYR 78 HH TYR 78 -19.164 -9.631 -20.248 554 H PHE 79 H PHE 79 -14.352 -11.031 -14.722 555 HA PHE 79 HA PHE 79 -15.822 -10.597 -12.279 556 HB2 PHE 79 HB2 PHE 79 -13.591 -9.052 -13.606 557 HB3 PHE 79 HB3 PHE 79 -14.296 -8.626 -12.044 558 HD1 PHE 79 HD1 PHE 79 -12.178 -11.006 -13.863 559 HD2 PHE 79 HD2 PHE 79 -14.032 -10.115 -10.092 560 HE1 PHE 79 HE1 PHE 79 -10.711 -12.665 -12.749 561 HE2 PHE 79 HE2 PHE 79 -12.566 -11.777 -8.978 562 HZ PHE 79 HZ PHE 79 -10.904 -13.051 -10.306 563 H THR 80 H THR 80 -17.370 -9.113 -11.860 564 HA THR 80 HA THR 80 -18.658 -7.790 -14.067 565 HB THR 80 HB THR 80 -19.160 -7.517 -11.090 566 HG1 THR 80 HG1 THR 80 -20.130 -9.360 -11.288 567 HG21 THR 80 HG21 THR 80 -20.838 -6.777 -13.506 568 HG22 THR 80 HG22 THR 80 -20.144 -5.659 -12.333 569 HG23 THR 80 HG23 THR 80 -21.426 -6.767 -11.844 570 H GLN 81 H GLN 81 -16.691 -6.790 -11.286 571 HA GLN 81 HA GLN 81 -15.319 -4.729 -12.540 572 HB2 GLN 81 HB2 GLN 81 -16.394 -2.683 -11.579 573 HB3 GLN 81 HB3 GLN 81 -17.387 -3.464 -12.808 574 HG2 GLN 81 HG2 GLN 81 -18.641 -4.629 -10.961 575 HG3 GLN 81 HG3 GLN 81 -17.697 -3.702 -9.795 576 HE21 GLN 81 HE21 GLN 81 -20.617 -3.675 -11.472 577 HE22 GLN 81 HE22 GLN 81 -20.946 -2.012 -11.378 578 H PHE 82 H PHE 82 -14.086 -3.348 -11.039 579 HA PHE 82 HA PHE 82 -13.910 -4.557 -8.325 580 HB2 PHE 82 HB2 PHE 82 -11.666 -3.409 -9.982 581 HB3 PHE 82 HB3 PHE 82 -11.545 -4.046 -8.341 582 HD1 PHE 82 HD1 PHE 82 -11.890 -4.905 -11.888 583 HD2 PHE 82 HD2 PHE 82 -11.797 -6.453 -7.886 584 HE1 PHE 82 HE1 PHE 82 -11.543 -7.191 -12.781 585 HE2 PHE 82 HE2 PHE 82 -11.452 -8.742 -8.778 586 HZ PHE 82 HZ PHE 82 -11.321 -9.106 -11.226 587 H LYS 83 H LYS 83 -13.824 -3.164 -6.589 588 HA LYS 83 HA LYS 83 -13.458 -0.298 -7.109 589 HB2 LYS 83 HB2 LYS 83 -15.817 -1.453 -5.626 590 HB3 LYS 83 HB3 LYS 83 -15.427 0.267 -5.765 591 HG2 LYS 83 HG2 LYS 83 -15.520 0.074 -8.232 592 HG3 LYS 83 HG3 LYS 83 -15.988 -1.610 -8.082 593 HD2 LYS 83 HD2 LYS 83 -17.663 0.388 -6.561 594 HD3 LYS 83 HD3 LYS 83 -17.827 0.359 -8.312 595 HE2 LYS 83 HE2 LYS 83 -19.443 -1.162 -7.315 596 HE3 LYS 83 HE3 LYS 83 -18.251 -2.089 -8.228 597 HZ1 LYS 83 HZ1 LYS 83 -18.847 -2.891 -5.903 598 HZ2 LYS 83 HZ2 LYS 83 -17.948 -1.565 -5.334 599 HZ3 LYS 83 HZ3 LYS 83 -17.198 -2.765 -6.277 600 H ALA 84 H ALA 84 -12.681 0.910 -5.372 601 HA ALA 84 HA ALA 84 -12.184 -0.456 -2.822 602 HB1 ALA 84 HB1 ALA 84 -9.807 0.206 -2.837 603 HB2 ALA 84 HB2 ALA 84 -9.988 0.801 -4.486 604 HB3 ALA 84 HB3 ALA 84 -10.176 -0.918 -4.144 605 H GLU 85 H GLU 85 -12.007 0.923 -1.062 606 HA GLU 85 HA GLU 85 -11.803 3.786 -1.431 607 HB2 GLU 85 HB2 GLU 85 -13.977 4.335 -0.416 608 HB3 GLU 85 HB3 GLU 85 -14.186 3.416 -1.905 609 HG2 GLU 85 HG2 GLU 85 -14.446 1.330 -0.567 610 HG3 GLU 85 HG3 GLU 85 -14.329 2.295 0.909 611 H VAL 86 H VAL 86 -12.065 4.921 0.800 612 HA VAL 86 HA VAL 86 -10.988 3.157 2.923 613 HB VAL 86 HB VAL 86 -9.483 4.972 3.622 614 HG11 VAL 86 HG11 VAL 86 -8.785 3.164 1.998 615 HG12 VAL 86 HG12 VAL 86 -7.838 4.648 1.881 616 HG13 VAL 86 HG13 VAL 86 -9.093 4.307 0.690 617 HG21 VAL 86 HG21 VAL 86 -9.082 6.846 1.957 618 HG22 VAL 86 HG22 VAL 86 -10.637 6.928 2.782 619 HG23 VAL 86 HG23 VAL 86 -10.553 6.336 1.126 620 H ARG 87 H ARG 87 -11.161 4.007 5.109 621 HA ARG 87 HA ARG 87 -13.466 5.829 5.459 622 HB2 ARG 87 HB2 ARG 87 -12.814 3.381 7.116 623 HB3 ARG 87 HB3 ARG 87 -14.138 4.502 7.425 624 HG2 ARG 87 HG2 ARG 87 -13.851 2.968 4.824 625 HG3 ARG 87 HG3 ARG 87 -14.789 2.370 6.190 626 HD2 ARG 87 HD2 ARG 87 -15.264 5.032 4.816 627 HD3 ARG 87 HD3 ARG 87 -16.185 3.565 4.499 628 HE ARG 87 HE ARG 87 -16.317 3.973 7.249 629 HH11 ARG 87 HH11 ARG 87 -17.305 5.731 4.371 630 HH12 ARG 87 HH12 ARG 87 -18.626 6.524 5.160 631 HH21 ARG 87 HH21 ARG 87 -18.043 5.048 8.246 632 HH22 ARG 87 HH22 ARG 87 -19.038 6.139 7.341 633 H GLY 88 H GLY 88 -13.205 7.458 6.841 634 HA2 GLY 88 HA2 GLY 88 -12.322 8.795 8.503 635 HA3 GLY 88 HA3 GLY 88 -11.402 7.405 9.065 636 H ALA 89 H ALA 89 -10.926 8.097 5.735 637 HA ALA 89 HA ALA 89 -8.657 9.893 6.183 638 HB1 ALA 89 HB1 ALA 89 -7.278 8.196 4.720 639 HB2 ALA 89 HB2 ALA 89 -8.404 7.020 5.395 640 HB3 ALA 89 HB3 ALA 89 -7.388 7.983 6.466 641 H GLU 90 H GLU 90 -7.683 10.672 4.197 642 HA GLU 90 HA GLU 90 -9.613 10.740 1.945 643 HB2 GLU 90 HB2 GLU 90 -8.482 12.846 1.286 644 HB3 GLU 90 HB3 GLU 90 -9.157 12.956 2.909 645 HG2 GLU 90 HG2 GLU 90 -6.927 12.475 3.872 646 HG3 GLU 90 HG3 GLU 90 -6.251 12.363 2.246 647 H ILE 91 H ILE 91 -8.815 10.795 -0.171 648 HA ILE 91 HA ILE 91 -6.782 8.763 -0.538 649 HB ILE 91 HB ILE 91 -8.557 10.144 -2.572 650 HG12 ILE 91 HG12 ILE 91 -9.882 8.976 -0.804 651 HG13 ILE 91 HG13 ILE 91 -10.084 8.204 -2.361 652 HG21 ILE 91 HG21 ILE 91 -8.106 8.140 -3.984 653 HG22 ILE 91 HG22 ILE 91 -6.952 7.578 -2.775 654 HG23 ILE 91 HG23 ILE 91 -6.652 9.079 -3.648 655 HD11 ILE 91 HD11 ILE 91 -8.461 7.246 0.015 656 HD12 ILE 91 HD12 ILE 91 -8.218 6.568 -1.595 657 HD13 ILE 91 HD13 ILE 91 -9.785 6.415 -0.806 658 H GLU 92 H GLU 92 -4.754 9.163 -0.912 659 HA GLU 92 HA GLU 92 -3.806 11.776 -1.791 660 HB2 GLU 92 HB2 GLU 92 -2.324 9.208 -1.175 661 HB3 GLU 92 HB3 GLU 92 -1.567 10.759 -1.543 662 HG2 GLU 92 HG2 GLU 92 -2.645 11.766 0.422 663 HG3 GLU 92 HG3 GLU 92 -3.430 10.226 0.785 664 H TYR 93 H TYR 93 -3.858 8.408 -2.913 665 HA TYR 93 HA TYR 93 -4.172 9.105 -5.640 666 HB2 TYR 93 HB2 TYR 93 -1.699 9.630 -5.148 667 HB3 TYR 93 HB3 TYR 93 -1.478 7.883 -5.060 668 HD1 TYR 93 HD1 TYR 93 -2.363 10.725 -7.259 669 HD2 TYR 93 HD2 TYR 93 -1.663 6.486 -7.057 670 HE1 TYR 93 HE1 TYR 93 -2.270 10.627 -9.728 671 HE2 TYR 93 HE2 TYR 93 -1.573 6.396 -9.536 672 HH TYR 93 HH TYR 93 -2.417 9.156 -11.519 673 H ALA 94 H ALA 94 -5.236 7.479 -6.506 674 HA ALA 94 HA ALA 94 -4.800 4.724 -5.514 675 HB1 ALA 94 HB1 ALA 94 -6.961 5.612 -4.730 676 HB2 ALA 94 HB2 ALA 94 -7.192 4.300 -5.886 677 HB3 ALA 94 HB3 ALA 94 -7.415 5.976 -6.394 678 H MET 95 H MET 95 -4.469 3.196 -7.023 679 HA MET 95 HA MET 95 -5.242 3.544 -9.784 680 HB2 MET 95 HB2 MET 95 -2.944 3.413 -10.703 681 HB3 MET 95 HB3 MET 95 -3.198 4.893 -9.773 682 HG2 MET 95 HG2 MET 95 -2.121 3.814 -7.806 683 HG3 MET 95 HG3 MET 95 -1.845 2.374 -8.789 684 HE1 MET 95 HE1 MET 95 0.474 4.508 -7.240 685 HE2 MET 95 HE2 MET 95 1.684 3.825 -8.324 686 HE3 MET 95 HE3 MET 95 0.421 2.794 -7.678 687 H ALA 96 H ALA 96 -4.439 1.692 -11.155 688 HA ALA 96 HA ALA 96 -4.109 -0.792 -9.595 689 HB1 ALA 96 HB1 ALA 96 -6.528 -0.024 -10.724 690 HB2 ALA 96 HB2 ALA 96 -6.079 -1.661 -10.266 691 HB3 ALA 96 HB3 ALA 96 -5.858 -1.125 -11.927 692 H TYR 97 H TYR 97 -3.145 -2.534 -10.753 693 HA TYR 97 HA TYR 97 -1.777 -1.714 -13.257 694 HB2 TYR 97 HB2 TYR 97 -0.785 -3.480 -11.033 695 HB3 TYR 97 HB3 TYR 97 0.052 -3.257 -12.568 696 HD1 TYR 97 HD1 TYR 97 -0.738 -1.791 -9.320 697 HD2 TYR 97 HD2 TYR 97 0.912 -1.002 -13.205 698 HE1 TYR 97 HE1 TYR 97 0.299 0.289 -8.458 699 HE2 TYR 97 HE2 TYR 97 1.948 1.076 -12.341 700 HH TYR 97 HH TYR 97 2.487 1.715 -9.279 701 H SER 98 H SER 98 -2.785 -2.691 -14.903 702 HA SER 98 HA SER 98 -4.180 -5.163 -14.758 703 HB2 SER 98 HB2 SER 98 -3.042 -3.657 -17.119 704 HB3 SER 98 HB3 SER 98 -4.025 -5.112 -17.265 705 HG SER 98 HG SER 98 -5.684 -4.005 -16.183 706 H LYS 99 H LYS 99 -0.913 -4.277 -15.710 707 HA LYS 99 HA LYS 99 -0.110 -7.104 -15.487 708 HB2 LYS 99 HB2 LYS 99 -0.387 -6.403 -17.913 709 HB3 LYS 99 HB3 LYS 99 0.926 -5.264 -17.648 710 HG2 LYS 99 HG2 LYS 99 2.055 -7.149 -18.481 711 HG3 LYS 99 HG3 LYS 99 2.255 -7.318 -16.736 712 HD2 LYS 99 HD2 LYS 99 1.563 -9.472 -17.408 713 HD3 LYS 99 HD3 LYS 99 0.065 -8.739 -16.841 714 HE2 LYS 99 HE2 LYS 99 0.774 -8.431 -19.755 715 HE3 LYS 99 HE3 LYS 99 0.184 -9.990 -19.192 716 HZ1 LYS 99 HZ1 LYS 99 -1.798 -9.036 -19.572 717 HZ2 LYS 99 HZ2 LYS 99 -1.207 -7.452 -19.403 718 HZ3 LYS 99 HZ3 LYS 99 -1.569 -8.379 -18.026 719 H ALA 100 H ALA 100 1.569 -7.363 -14.194 720 HA ALA 100 HA ALA 100 2.975 -5.054 -13.129 721 HB1 ALA 100 HB1 ALA 100 2.443 -6.653 -11.478 722 HB2 ALA 100 HB2 ALA 100 4.166 -6.890 -11.779 723 HB3 ALA 100 HB3 ALA 100 2.987 -8.000 -12.480 724 H ALA 101 H ALA 101 5.054 -4.491 -13.542 725 HA ALA 101 HA ALA 101 6.253 -5.192 -15.963 726 HB1 ALA 101 HB1 ALA 101 7.114 -3.206 -15.232 727 HB2 ALA 101 HB2 ALA 101 8.393 -4.257 -14.634 728 HB3 ALA 101 HB3 ALA 101 7.124 -3.705 -13.541 729 H PHE 102 H PHE 102 7.391 -6.820 -16.613 730 HA PHE 102 HA PHE 102 8.602 -8.673 -14.663 731 HB2 PHE 102 HB2 PHE 102 6.694 -9.484 -16.257 732 HB3 PHE 102 HB3 PHE 102 7.932 -9.406 -17.514 733 HD1 PHE 102 HD1 PHE 102 7.298 -10.801 -14.095 734 HD2 PHE 102 HD2 PHE 102 9.420 -11.225 -17.805 735 HE1 PHE 102 HE1 PHE 102 8.174 -12.996 -13.344 736 HE2 PHE 102 HE2 PHE 102 10.298 -13.418 -17.053 737 HZ PHE 102 HZ PHE 102 9.674 -14.302 -14.820 738 H GLU 103 H GLU 103 10.538 -9.857 -15.701 739 HA GLU 103 HA GLU 103 12.557 -8.014 -16.301 740 HB2 GLU 103 HB2 GLU 103 12.915 -10.350 -15.455 741 HB3 GLU 103 HB3 GLU 103 12.521 -10.946 -17.070 742 HG2 GLU 103 HG2 GLU 103 14.396 -9.671 -18.024 743 HG3 GLU 103 HG3 GLU 103 14.779 -9.018 -16.430 744 H ARG 104 H ARG 104 10.460 -9.919 -18.428 745 HA ARG 104 HA ARG 104 11.607 -8.573 -20.791 746 HB2 ARG 104 HB2 ARG 104 9.983 -11.110 -20.567 747 HB3 ARG 104 HB3 ARG 104 10.472 -10.370 -22.096 748 HG2 ARG 104 HG2 ARG 104 12.823 -10.605 -21.507 749 HG3 ARG 104 HG3 ARG 104 12.392 -11.226 -19.910 750 HD2 ARG 104 HD2 ARG 104 12.944 -13.100 -21.352 751 HD3 ARG 104 HD3 ARG 104 11.215 -13.127 -21.016 752 HE ARG 104 HE ARG 104 11.720 -11.669 -23.413 753 HH11 ARG 104 HH11 ARG 104 11.652 -14.966 -22.199 754 HH12 ARG 104 HH12 ARG 104 11.288 -15.656 -23.745 755 HH21 ARG 104 HH21 ARG 104 11.241 -12.611 -25.408 756 HH22 ARG 104 HH22 ARG 104 11.056 -14.328 -25.551 757 H GLU 105 H GLU 105 9.112 -8.038 -18.696 758 HA GLU 105 HA GLU 105 7.387 -6.934 -20.836 759 HB2 GLU 105 HB2 GLU 105 6.389 -8.243 -18.293 760 HB3 GLU 105 HB3 GLU 105 5.396 -7.495 -19.538 761 HG2 GLU 105 HG2 GLU 105 6.295 -9.128 -21.197 762 HG3 GLU 105 HG3 GLU 105 7.184 -9.914 -19.894 763 H SER 106 H SER 106 6.260 -5.043 -20.374 764 HA SER 106 HA SER 106 7.477 -3.359 -18.315 765 HB2 SER 106 HB2 SER 106 6.484 -1.504 -19.504 766 HB3 SER 106 HB3 SER 106 7.276 -2.566 -20.667 767 HG SER 106 HG SER 106 4.909 -1.769 -20.911 768 H ASP 107 H ASP 107 6.026 -1.834 -17.132 769 HA ASP 107 HA ASP 107 3.791 -3.281 -15.915 770 HB2 ASP 107 HB2 ASP 107 5.458 -2.191 -14.460 771 HB3 ASP 107 HB3 ASP 107 5.066 -0.633 -15.188 772 H VAL 108 H VAL 108 1.797 -3.040 -16.760 773 HA VAL 108 HA VAL 108 1.133 -0.510 -18.138 774 HB VAL 108 HB VAL 108 -0.242 -3.216 -18.292 775 HG11 VAL 108 HG11 VAL 108 -1.722 -1.202 -18.697 776 HG12 VAL 108 HG12 VAL 108 -1.561 -2.260 -20.099 777 HG13 VAL 108 HG13 VAL 108 -0.652 -0.751 -20.025 778 HG21 VAL 108 HG21 VAL 108 0.710 -3.168 -20.645 779 HG22 VAL 108 HG22 VAL 108 1.924 -3.319 -19.375 780 HG23 VAL 108 HG23 VAL 108 1.663 -1.763 -20.163 781 HA PRO 109 HA PRO 109 -1.589 -0.002 -14.425 782 HB2 PRO 109 HB2 PRO 109 -1.637 2.636 -14.272 783 HB3 PRO 109 HB3 PRO 109 -0.146 1.744 -13.889 784 HG2 PRO 109 HG2 PRO 109 -0.873 3.202 -16.392 785 HG3 PRO 109 HG3 PRO 109 0.659 3.200 -15.494 786 HD2 PRO 109 HD2 PRO 109 0.164 1.637 -17.733 787 HD3 PRO 109 HD3 PRO 109 1.393 1.265 -16.501 788 H LEU 110 H LEU 110 -3.784 0.510 -14.174 789 HA LEU 110 HA LEU 110 -5.337 1.004 -16.608 790 HB2 LEU 110 HB2 LEU 110 -6.153 0.272 -13.788 791 HB3 LEU 110 HB3 LEU 110 -7.314 0.642 -15.065 792 HG LEU 110 HG LEU 110 -5.178 -1.488 -15.340 793 HD11 LEU 110 HD11 LEU 110 -7.249 -3.041 -15.018 794 HD12 LEU 110 HD12 LEU 110 -8.004 -1.641 -14.263 795 HD13 LEU 110 HD13 LEU 110 -6.528 -2.319 -13.581 796 HD21 LEU 110 HD21 LEU 110 -5.997 -0.809 -17.497 797 HD22 LEU 110 HD22 LEU 110 -7.658 -0.710 -16.915 798 HD23 LEU 110 HD23 LEU 110 -6.887 -2.282 -17.112 799 H LYS 111 H LYS 111 -6.876 2.685 -16.810 800 HA LYS 111 HA LYS 111 -6.004 5.191 -15.684 801 HB2 LYS 111 HB2 LYS 111 -7.798 6.175 -17.083 802 HB3 LYS 111 HB3 LYS 111 -6.702 5.151 -18.008 803 HG2 LYS 111 HG2 LYS 111 -9.075 3.702 -16.893 804 HG3 LYS 111 HG3 LYS 111 -9.480 4.968 -18.041 805 HD2 LYS 111 HD2 LYS 111 -7.329 2.944 -18.689 806 HD3 LYS 111 HD3 LYS 111 -9.030 2.578 -18.968 807 HE2 LYS 111 HE2 LYS 111 -7.783 5.119 -20.026 808 HE3 LYS 111 HE3 LYS 111 -7.707 3.609 -20.936 809 HZ1 LYS 111 HZ1 LYS 111 -10.257 3.597 -20.386 810 HZ2 LYS 111 HZ2 LYS 111 -9.648 4.451 -21.720 811 HZ3 LYS 111 HZ3 LYS 111 -10.024 5.273 -20.278 812 H THR 112 H THR 112 -7.149 6.591 -14.391 813 HA THR 112 HA THR 112 -8.742 5.496 -12.309 814 HB THR 112 HB THR 112 -8.324 8.407 -13.088 815 HG1 THR 112 HG1 THR 112 -6.379 7.459 -12.625 816 HG21 THR 112 HG21 THR 112 -9.136 7.194 -10.427 817 HG22 THR 112 HG22 THR 112 -10.252 7.986 -11.540 818 HG23 THR 112 HG23 THR 112 -8.952 8.910 -10.789 819 H GLU 113 H GLU 113 -9.489 7.274 -15.258 820 HA GLU 113 HA GLU 113 -12.127 7.984 -14.854 821 HB2 GLU 113 HB2 GLU 113 -10.642 8.610 -16.785 822 HB3 GLU 113 HB3 GLU 113 -10.985 7.022 -17.474 823 HG2 GLU 113 HG2 GLU 113 -13.390 7.525 -17.456 824 HG3 GLU 113 HG3 GLU 113 -13.066 9.115 -16.763 825 H GLU 114 H GLU 114 -10.853 4.785 -15.255 826 HA GLU 114 HA GLU 114 -13.082 3.497 -16.408 827 HB2 GLU 114 HB2 GLU 114 -10.754 2.537 -16.136 828 HB3 GLU 114 HB3 GLU 114 -11.166 2.230 -14.443 829 HG2 GLU 114 HG2 GLU 114 -11.643 0.224 -15.655 830 HG3 GLU 114 HG3 GLU 114 -13.195 0.972 -15.282 831 H PHE 115 H PHE 115 -12.361 4.425 -13.086 832 HA PHE 115 HA PHE 115 -15.109 3.839 -12.299 833 HB2 PHE 115 HB2 PHE 115 -14.479 2.528 -10.319 834 HB3 PHE 115 HB3 PHE 115 -14.000 1.718 -11.812 835 HD1 PHE 115 HD1 PHE 115 -12.783 3.541 -8.843 836 HD2 PHE 115 HD2 PHE 115 -11.646 1.514 -12.453 837 HE1 PHE 115 HE1 PHE 115 -10.427 3.482 -8.067 838 HE2 PHE 115 HE2 PHE 115 -9.291 1.456 -11.678 839 HZ PHE 115 HZ PHE 115 -8.682 2.439 -9.486 840 H GLU 116 H GLU 116 -15.678 4.667 -10.165 841 HA GLU 116 HA GLU 116 -14.056 7.020 -9.392 842 HB2 GLU 116 HB2 GLU 116 -16.129 7.665 -10.560 843 HB3 GLU 116 HB3 GLU 116 -17.079 6.730 -9.408 844 HG2 GLU 116 HG2 GLU 116 -17.140 9.081 -8.758 845 HG3 GLU 116 HG3 GLU 116 -16.222 8.173 -7.565 846 H VAL 117 H VAL 117 -13.416 7.102 -7.321 847 HA VAL 117 HA VAL 117 -14.907 5.577 -5.270 848 HB VAL 117 HB VAL 117 -12.777 4.931 -4.204 849 HG11 VAL 117 HG11 VAL 117 -13.283 4.105 -7.066 850 HG12 VAL 117 HG12 VAL 117 -13.744 3.264 -5.587 851 HG13 VAL 117 HG13 VAL 117 -12.051 3.322 -6.075 852 HG21 VAL 117 HG21 VAL 117 -10.683 5.127 -5.643 853 HG22 VAL 117 HG22 VAL 117 -11.270 6.660 -4.999 854 HG23 VAL 117 HG23 VAL 117 -11.583 6.234 -6.680 855 H THR 118 H THR 118 -14.973 6.460 -3.207 856 HA THR 118 HA THR 118 -13.638 9.028 -2.745 857 HB THR 118 HB THR 118 -15.646 10.102 -1.888 858 HG1 THR 118 HG1 THR 118 -17.639 9.095 -2.136 859 HG21 THR 118 HG21 THR 118 -15.055 10.315 -4.295 860 HG22 THR 118 HG22 THR 118 -16.780 10.505 -3.979 861 HG23 THR 118 HG23 THR 118 -16.167 8.992 -4.649 862 H LYS 119 H LYS 119 -13.838 9.748 -0.503 863 HA LYS 119 HA LYS 119 -12.893 7.790 1.260 864 HB2 LYS 119 HB2 LYS 119 -13.027 9.528 2.980 865 HB3 LYS 119 HB3 LYS 119 -12.340 10.162 1.485 866 HG2 LYS 119 HG2 LYS 119 -14.543 11.098 0.866 867 HG3 LYS 119 HG3 LYS 119 -15.234 10.479 2.364 868 HD2 LYS 119 HD2 LYS 119 -13.578 11.841 3.647 869 HD3 LYS 119 HD3 LYS 119 -12.998 12.515 2.124 870 HE2 LYS 119 HE2 LYS 119 -15.853 12.721 3.121 871 HE3 LYS 119 HE3 LYS 119 -14.649 14.003 3.244 872 HZ1 LYS 119 HZ1 LYS 119 -15.725 12.794 0.756 873 HZ2 LYS 119 HZ2 LYS 119 -14.413 13.874 0.796 874 HZ3 LYS 119 HZ3 LYS 119 -15.953 14.382 1.305 875 H THR 120 H THR 120 -16.161 8.569 0.452 876 HA THR 120 HA THR 120 -17.077 6.815 2.636 877 HB THR 120 HB THR 120 -17.292 9.089 3.461 878 HG1 THR 120 HG1 THR 120 -19.668 8.984 3.718 879 HG21 THR 120 HG21 THR 120 -19.255 9.595 1.212 880 HG22 THR 120 HG22 THR 120 -17.570 10.109 1.143 881 HG23 THR 120 HG23 THR 120 -18.638 10.755 2.389 882 H ALA 121 H ALA 121 -17.079 7.146 -0.606 883 HA ALA 121 HA ALA 121 -19.431 5.476 -0.907 884 HB1 ALA 121 HB1 ALA 121 -19.404 8.315 -1.836 885 HB2 ALA 121 HB2 ALA 121 -20.713 7.378 -1.114 886 HB3 ALA 121 HB3 ALA 121 -20.253 7.100 -2.795 887 H VAL 122 H VAL 122 -19.703 4.630 -3.099 888 HA VAL 122 HA VAL 122 -17.344 4.931 -4.833 889 HB VAL 122 HB VAL 122 -17.271 2.478 -5.219 890 HG11 VAL 122 HG11 VAL 122 -16.294 1.940 -2.927 891 HG12 VAL 122 HG12 VAL 122 -16.805 3.563 -2.447 892 HG13 VAL 122 HG13 VAL 122 -15.640 3.352 -3.756 893 HG21 VAL 122 HG21 VAL 122 -18.396 0.977 -3.610 894 HG22 VAL 122 HG22 VAL 122 -19.589 1.953 -4.463 895 HG23 VAL 122 HG23 VAL 122 -19.133 2.366 -2.810 896 H ALA 123 H ALA 123 -17.678 4.646 -6.992 897 HA ALA 123 HA ALA 123 -20.176 3.639 -7.970 898 HB1 ALA 123 HB1 ALA 123 -20.422 5.838 -9.388 899 HB2 ALA 123 HB2 ALA 123 -19.528 6.566 -8.053 900 HB3 ALA 123 HB3 ALA 123 -21.075 5.771 -7.753 901 H HIS 124 H HIS 124 -20.069 3.101 -10.188 902 HA HIS 124 HA HIS 124 -17.337 3.039 -11.236 903 HB2 HIS 124 HB2 HIS 124 -18.142 1.260 -12.741 904 HB3 HIS 124 HB3 HIS 124 -18.425 0.870 -11.043 905 HD2 HIS 124 HD2 HIS 124 -20.447 1.317 -14.313 906 HE1 HIS 124 HE1 HIS 124 -23.257 0.978 -11.179 907 HE2 HIS 124 HE2 HIS 124 -22.970 1.019 -13.700 908 H ARG 125 H ARG 125 -16.772 3.722 -13.206 909 HA ARG 125 HA ARG 125 -18.372 5.825 -14.409 910 HB2 ARG 125 HB2 ARG 125 -15.602 4.749 -14.952 911 HB3 ARG 125 HB3 ARG 125 -16.303 6.104 -15.825 912 HG2 ARG 125 HG2 ARG 125 -16.112 6.089 -12.803 913 HG3 ARG 125 HG3 ARG 125 -14.802 6.695 -13.819 914 HD2 ARG 125 HD2 ARG 125 -16.458 8.243 -14.908 915 HD3 ARG 125 HD3 ARG 125 -17.655 7.712 -13.726 916 HE ARG 125 HE ARG 125 -15.371 8.553 -12.311 917 HH11 ARG 125 HH11 ARG 125 -17.831 9.983 -14.375 918 HH12 ARG 125 HH12 ARG 125 -17.723 11.542 -13.629 919 HH21 ARG 125 HH21 ARG 125 -15.262 10.602 -11.369 920 HH22 ARG 125 HH22 ARG 125 -16.274 11.888 -11.937 921 HA PRO 126 HA PRO 126 -19.925 3.349 -17.816 922 HB2 PRO 126 HB2 PRO 126 -19.649 4.970 -19.995 923 HB3 PRO 126 HB3 PRO 126 -20.892 5.227 -18.751 924 HG2 PRO 126 HG2 PRO 126 -18.247 6.572 -19.075 925 HG3 PRO 126 HG3 PRO 126 -19.833 7.280 -18.699 926 HD2 PRO 126 HD2 PRO 126 -18.012 6.848 -16.763 927 HD3 PRO 126 HD3 PRO 126 -19.754 6.628 -16.459 928 H GLY 127 H GLY 127 -19.166 1.896 -19.356 929 HA2 GLY 127 HA2 GLY 127 -17.662 0.861 -20.812 930 HA3 GLY 127 HA3 GLY 127 -16.568 2.228 -20.608 931 H ALA 128 H ALA 128 -17.695 0.946 -17.625 932 HA ALA 128 HA ALA 128 -15.237 0.336 -16.545 933 HB1 ALA 128 HB1 ALA 128 -17.678 -1.224 -15.758 934 HB2 ALA 128 HB2 ALA 128 -17.567 0.507 -15.431 935 HB3 ALA 128 HB3 ALA 128 -16.379 -0.600 -14.739 936 H PHE 129 H PHE 129 -13.950 -1.459 -16.388 937 HA PHE 129 HA PHE 129 -14.163 -3.412 -18.499 938 HB2 PHE 129 HB2 PHE 129 -12.195 -3.100 -16.239 939 HB3 PHE 129 HB3 PHE 129 -12.112 -4.395 -17.428 940 HD1 PHE 129 HD1 PHE 129 -10.870 -1.220 -16.699 941 HD2 PHE 129 HD2 PHE 129 -12.420 -3.501 -19.999 942 HE1 PHE 129 HE1 PHE 129 -9.695 0.276 -18.290 943 HE2 PHE 129 HE2 PHE 129 -11.246 -2.003 -21.585 944 HZ PHE 129 HZ PHE 129 -9.883 -0.115 -20.733 945 H LYS 130 H LYS 130 -14.418 -5.627 -18.350 946 HA LYS 130 HA LYS 130 -15.497 -6.638 -15.786 947 HB2 LYS 130 HB2 LYS 130 -16.547 -7.163 -18.573 948 HB3 LYS 130 HB3 LYS 130 -17.082 -8.019 -17.123 949 HG2 LYS 130 HG2 LYS 130 -17.791 -5.885 -16.119 950 HG3 LYS 130 HG3 LYS 130 -17.251 -5.026 -17.566 951 HD2 LYS 130 HD2 LYS 130 -18.861 -6.304 -18.927 952 HD3 LYS 130 HD3 LYS 130 -19.403 -7.163 -17.485 953 HE2 LYS 130 HE2 LYS 130 -20.120 -5.034 -16.473 954 HE3 LYS 130 HE3 LYS 130 -19.572 -4.164 -17.907 955 HZ1 LYS 130 HZ1 LYS 130 -21.765 -6.147 -17.714 956 HZ2 LYS 130 HZ2 LYS 130 -21.120 -5.628 -19.198 957 HZ3 LYS 130 HZ3 LYS 130 -21.877 -4.515 -18.159 958 H ALA 131 H ALA 131 -14.166 -7.590 -18.944 959 HA ALA 131 HA ALA 131 -13.481 -10.238 -18.041 960 HB1 ALA 131 HB1 ALA 131 -14.049 -10.204 -20.282 961 HB2 ALA 131 HB2 ALA 131 -12.287 -10.249 -20.348 962 HB3 ALA 131 HB3 ALA 131 -13.141 -8.726 -20.600 963 H GLU 132 H GLU 132 -11.953 -7.304 -17.498 964 HA GLU 132 HA GLU 132 -9.244 -8.170 -17.938 965 HB2 GLU 132 HB2 GLU 132 -8.538 -6.029 -17.163 966 HB3 GLU 132 HB3 GLU 132 -10.032 -5.746 -18.060 967 HG2 GLU 132 HG2 GLU 132 -11.307 -5.597 -15.954 968 HG3 GLU 132 HG3 GLU 132 -9.878 -6.009 -15.026 969 H LEU 133 H LEU 133 -7.606 -8.180 -16.279 970 HA LEU 133 HA LEU 133 -8.515 -8.929 -13.594 971 HB2 LEU 133 HB2 LEU 133 -6.725 -10.690 -13.503 972 HB3 LEU 133 HB3 LEU 133 -8.061 -11.096 -14.573 973 HG LEU 133 HG LEU 133 -5.685 -9.675 -15.796 974 HD11 LEU 133 HD11 LEU 133 -5.651 -12.654 -15.270 975 HD12 LEU 133 HD12 LEU 133 -4.736 -11.486 -14.321 976 HD13 LEU 133 HD13 LEU 133 -4.392 -11.686 -16.038 977 HD21 LEU 133 HD21 LEU 133 -6.324 -10.861 -17.761 978 HD22 LEU 133 HD22 LEU 133 -7.855 -10.417 -17.013 979 HD23 LEU 133 HD23 LEU 133 -7.240 -12.057 -16.845 980 H SER 134 H SER 134 -7.409 -7.821 -12.047 981 HA SER 134 HA SER 134 -4.708 -6.883 -12.508 982 HB2 SER 134 HB2 SER 134 -6.034 -5.287 -13.829 983 HB3 SER 134 HB3 SER 134 -6.981 -4.907 -12.401 984 HG SER 134 HG SER 134 -5.434 -3.626 -11.803 985 H LYS 135 H LYS 135 -4.047 -5.275 -10.800 986 HA LYS 135 HA LYS 135 -5.226 -5.994 -8.185 987 HB2 LYS 135 HB2 LYS 135 -2.958 -5.550 -7.221 988 HB3 LYS 135 HB3 LYS 135 -2.987 -6.939 -8.310 989 HG2 LYS 135 HG2 LYS 135 -2.134 -5.466 -10.145 990 HG3 LYS 135 HG3 LYS 135 -2.032 -4.132 -8.997 991 HD2 LYS 135 HD2 LYS 135 -0.623 -6.770 -8.514 992 HD3 LYS 135 HD3 LYS 135 0.137 -5.451 -9.410 993 HE2 LYS 135 HE2 LYS 135 -0.208 -3.947 -7.468 994 HE3 LYS 135 HE3 LYS 135 -0.915 -5.288 -6.565 995 HZ1 LYS 135 HZ1 LYS 135 1.874 -4.940 -7.474 996 HZ2 LYS 135 HZ2 LYS 135 1.261 -6.483 -7.106 997 HZ3 LYS 135 HZ3 LYS 135 1.299 -5.272 -5.914 998 H LEU 136 H LEU 136 -5.135 -4.345 -6.552 999 HA LEU 136 HA LEU 136 -5.126 -1.600 -7.668 1000 HB2 LEU 136 HB2 LEU 136 -7.002 -2.920 -5.714 1001 HB3 LEU 136 HB3 LEU 136 -6.895 -1.164 -5.868 1002 HG LEU 136 HG LEU 136 -7.324 -2.921 -8.299 1003 HD11 LEU 136 HD11 LEU 136 -9.150 -3.521 -6.895 1004 HD12 LEU 136 HD12 LEU 136 -9.775 -2.326 -8.031 1005 HD13 LEU 136 HD13 LEU 136 -9.397 -1.855 -6.372 1006 HD21 LEU 136 HD21 LEU 136 -8.360 -0.107 -7.868 1007 HD22 LEU 136 HD22 LEU 136 -7.945 -0.923 -9.371 1008 HD23 LEU 136 HD23 LEU 136 -6.668 -0.352 -8.303 1009 H VAL 137 H VAL 137 -4.306 0.056 -6.486 1010 HA VAL 137 HA VAL 137 -3.095 -0.542 -3.879 1011 HB VAL 137 HB VAL 137 -1.332 -0.771 -5.622 1012 HG11 VAL 137 HG11 VAL 137 -1.975 2.119 -6.245 1013 HG12 VAL 137 HG12 VAL 137 -2.223 0.735 -7.312 1014 HG13 VAL 137 HG13 VAL 137 -0.593 1.213 -6.852 1015 HG21 VAL 137 HG21 VAL 137 0.303 0.629 -4.532 1016 HG22 VAL 137 HG22 VAL 137 -0.877 0.175 -3.303 1017 HG23 VAL 137 HG23 VAL 137 -0.935 1.781 -4.030 1018 H ILE 138 H ILE 138 -3.627 0.905 -2.425 1019 HA ILE 138 HA ILE 138 -4.618 3.553 -3.309 1020 HB ILE 138 HB ILE 138 -5.705 1.869 -1.028 1021 HG12 ILE 138 HG12 ILE 138 -7.803 1.924 -2.670 1022 HG13 ILE 138 HG13 ILE 138 -6.571 2.190 -3.911 1023 HG21 ILE 138 HG21 ILE 138 -6.503 4.543 -2.210 1024 HG22 ILE 138 HG22 ILE 138 -6.071 4.184 -0.538 1025 HG23 ILE 138 HG23 ILE 138 -7.594 3.592 -1.202 1026 HD11 ILE 138 HD11 ILE 138 -5.625 0.060 -3.576 1027 HD12 ILE 138 HD12 ILE 138 -7.332 -0.261 -3.304 1028 HD13 ILE 138 HD13 ILE 138 -6.248 -0.067 -1.930 1029 H VAL 139 H VAL 139 -3.660 5.233 -2.432 1030 HA VAL 139 HA VAL 139 -2.262 4.944 0.174 1031 HB VAL 139 HB VAL 139 -1.547 6.791 -2.149 1032 HG11 VAL 139 HG11 VAL 139 -0.944 7.977 -0.194 1033 HG12 VAL 139 HG12 VAL 139 0.544 7.145 -0.629 1034 HG13 VAL 139 HG13 VAL 139 -0.474 6.516 0.665 1035 HG21 VAL 139 HG21 VAL 139 -0.023 4.431 -0.981 1036 HG22 VAL 139 HG22 VAL 139 0.482 5.418 -2.349 1037 HG23 VAL 139 HG23 VAL 139 -0.939 4.383 -2.481 1038 H ALA 140 H ALA 140 -3.310 5.986 1.716 1039 HA ALA 140 HA ALA 140 -4.885 8.398 1.026 1040 HB1 ALA 140 HB1 ALA 140 -6.455 7.635 2.866 1041 HB2 ALA 140 HB2 ALA 140 -5.628 6.080 2.802 1042 HB3 ALA 140 HB3 ALA 140 -6.486 6.680 1.383 1043 H LYS 141 H LYS 141 -4.860 10.080 2.447 1044 HA LYS 141 HA LYS 141 -2.765 9.970 4.486 1045 HB2 LYS 141 HB2 LYS 141 -2.893 11.792 2.682 1046 HB3 LYS 141 HB3 LYS 141 -4.276 12.410 3.587 1047 HG2 LYS 141 HG2 LYS 141 -2.916 12.603 5.614 1048 HG3 LYS 141 HG3 LYS 141 -1.528 11.940 4.754 1049 HD2 LYS 141 HD2 LYS 141 -1.702 13.848 3.122 1050 HD3 LYS 141 HD3 LYS 141 -2.918 14.569 4.179 1051 HE2 LYS 141 HE2 LYS 141 -0.112 13.826 5.039 1052 HE3 LYS 141 HE3 LYS 141 -0.627 15.459 4.613 1053 HZ1 LYS 141 HZ1 LYS 141 -1.252 13.859 6.978 1054 HZ2 LYS 141 HZ2 LYS 141 -2.482 14.873 6.384 1055 HZ3 LYS 141 HZ3 LYS 141 -0.981 15.527 6.841 1056 H ALA 142 H ALA 142 -3.220 9.985 6.597 1057 HA ALA 142 HA ALA 142 -5.817 9.549 7.549 1058 HB1 ALA 142 HB1 ALA 142 -4.535 10.278 9.808 1059 HB2 ALA 142 HB2 ALA 142 -3.149 9.995 8.754 1060 HB3 ALA 142 HB3 ALA 142 -4.321 8.710 9.035 1061 H SER 143 H SER 143 -7.450 10.892 7.819 1062 HA SER 143 HA SER 143 -7.130 13.761 7.750 1063 HB2 SER 143 HB2 SER 143 -9.542 13.838 7.859 1064 HB3 SER 143 HB3 SER 143 -9.076 12.566 6.735 1065 HG SER 143 HG SER 143 -10.289 11.366 7.981 1066 H ARG 144 H ARG 144 -7.999 15.180 9.436 1067 HA ARG 144 HA ARG 144 -8.241 15.960 11.573 1068 HB2 ARG 144 HB2 ARG 144 -9.794 14.032 11.923 1069 HB3 ARG 144 HB3 ARG 144 -8.423 13.065 12.475 1070 HG2 ARG 144 HG2 ARG 144 -8.010 14.609 14.308 1071 HG3 ARG 144 HG3 ARG 144 -9.287 15.684 13.740 1072 HD2 ARG 144 HD2 ARG 144 -10.956 13.915 14.108 1073 HD3 ARG 144 HD3 ARG 144 -9.685 12.819 14.646 1074 HE ARG 144 HE ARG 144 -9.632 13.941 16.691 1075 HH11 ARG 144 HH11 ARG 144 -11.529 15.814 14.404 1076 HH12 ARG 144 HH12 ARG 144 -12.104 16.922 15.603 1077 HH21 ARG 144 HH21 ARG 144 -10.398 15.416 18.220 1078 HH22 ARG 144 HH22 ARG 144 -11.468 16.695 17.753 1079 H THR 145 H THR 145 -6.007 13.159 11.433 1080 HA THR 145 HA THR 145 -3.817 12.969 12.019 1081 HB THR 145 HB THR 145 -3.823 15.802 13.104 1082 HG1 THR 145 HG1 THR 145 -4.241 16.319 11.112 1083 HG21 THR 145 HG21 THR 145 -1.429 15.666 12.513 1084 HG22 THR 145 HG22 THR 145 -1.667 14.007 11.961 1085 HG23 THR 145 HG23 THR 145 -1.886 14.410 13.663 1086 H GLU 146 H GLU 146 -5.693 11.891 13.512 1087 HA GLU 146 HA GLU 146 -5.794 12.568 16.245 1088 HB2 GLU 146 HB2 GLU 146 -7.348 11.002 15.035 1089 HB3 GLU 146 HB3 GLU 146 -6.054 9.802 15.050 1090 HG2 GLU 146 HG2 GLU 146 -7.512 9.375 16.954 1091 HG3 GLU 146 HG3 GLU 146 -5.969 9.984 17.549 1092 H LEU 147 H LEU 147 -3.630 10.445 14.407 1093 HA LEU 147 HA LEU 147 -1.763 10.444 16.690 1094 HB2 LEU 147 HB2 LEU 147 -2.645 8.054 15.062 1095 HB3 LEU 147 HB3 LEU 147 -1.182 8.058 16.045 1096 HG LEU 147 HG LEU 147 -3.916 8.743 17.166 1097 HD11 LEU 147 HD11 LEU 147 -2.437 6.096 17.181 1098 HD12 LEU 147 HD12 LEU 147 -3.934 6.436 16.312 1099 HD13 LEU 147 HD13 LEU 147 -3.917 6.438 18.075 1100 HD21 LEU 147 HD21 LEU 147 -2.699 8.069 19.313 1101 HD22 LEU 147 HD22 LEU 147 -2.121 9.560 18.569 1102 HD23 LEU 147 HD23 LEU 147 -1.209 8.063 18.370 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 5.008 13.217 14.313 2 H2 GLY 1 HT2 GLY 1 4.879 14.711 13.511 3 H3 GLY 1 HT3 GLY 1 5.252 14.660 15.168 4 HA2 GLY 1 HA2 GLY 1 7.038 13.289 13.278 5 HA3 GLY 1 HA3 GLY 1 7.125 15.043 13.416 6 H SER 2 H SER 2 6.172 13.053 16.154 7 HA SER 2 HA SER 2 8.206 14.164 17.822 8 HB2 SER 2 HB2 SER 2 6.029 13.569 18.738 9 HB3 SER 2 HB3 SER 2 6.288 11.881 18.313 10 HG SER 2 HG SER 2 6.870 12.882 20.554 11 H LYS 3 H LYS 3 7.574 10.739 16.956 12 HA LYS 3 HA LYS 3 10.486 10.242 16.929 13 HB2 LYS 3 HB2 LYS 3 8.397 8.788 18.541 14 HB3 LYS 3 HB3 LYS 3 9.893 7.988 18.057 15 HG2 LYS 3 HG2 LYS 3 9.901 10.666 19.468 16 HG3 LYS 3 HG3 LYS 3 9.872 9.144 20.364 17 HD2 LYS 3 HD2 LYS 3 11.928 8.434 19.113 18 HD3 LYS 3 HD3 LYS 3 11.989 10.036 18.382 19 HE2 LYS 3 HE2 LYS 3 13.466 10.087 20.278 20 HE3 LYS 3 HE3 LYS 3 12.024 10.999 20.726 21 HZ1 LYS 3 HZ1 LYS 3 11.313 8.559 21.513 22 HZ2 LYS 3 HZ2 LYS 3 12.123 9.657 22.524 23 HZ3 LYS 3 HZ3 LYS 3 12.989 8.439 21.720 24 H GLY 4 H GLY 4 7.296 8.794 16.313 25 HA2 GLY 4 HA2 GLY 4 6.537 7.882 14.266 26 HA3 GLY 4 HA3 GLY 4 8.205 7.821 13.697 27 H THR 5 H THR 5 6.364 5.630 13.551 28 HA THR 5 HA THR 5 7.698 3.706 15.364 29 HB THR 5 HB THR 5 4.780 3.650 14.515 30 HG1 THR 5 HG1 THR 5 5.023 5.149 16.093 31 HG21 THR 5 HG21 THR 5 4.658 1.778 16.184 32 HG22 THR 5 HG22 THR 5 6.420 1.811 16.286 33 HG23 THR 5 HG23 THR 5 5.633 1.386 14.766 34 H VAL 6 H VAL 6 8.650 2.039 14.416 35 HA VAL 6 HA VAL 6 7.925 1.323 11.635 36 HB VAL 6 HB VAL 6 10.730 1.409 12.823 37 HG11 VAL 6 HG11 VAL 6 10.629 -0.411 11.254 38 HG12 VAL 6 HG12 VAL 6 11.395 0.937 10.413 39 HG13 VAL 6 HG13 VAL 6 9.703 0.550 10.101 40 HG21 VAL 6 HG21 VAL 6 10.999 3.136 10.893 41 HG22 VAL 6 HG22 VAL 6 10.126 3.658 12.332 42 HG23 VAL 6 HG23 VAL 6 9.237 3.194 10.885 43 H SER 7 H SER 7 7.353 -0.782 11.413 44 HA SER 7 HA SER 7 8.458 -2.761 13.287 45 HB2 SER 7 HB2 SER 7 5.502 -2.395 12.745 46 HB3 SER 7 HB3 SER 7 6.200 -3.791 13.556 47 HG SER 7 HG SER 7 6.515 -1.078 14.354 48 H GLU 8 H GLU 8 5.868 -3.073 10.823 49 HA GLU 8 HA GLU 8 7.391 -4.129 8.721 50 HB2 GLU 8 HB2 GLU 8 7.027 -5.982 10.948 51 HB3 GLU 8 HB3 GLU 8 6.213 -6.620 9.524 52 HG2 GLU 8 HG2 GLU 8 9.118 -5.717 9.604 53 HG3 GLU 8 HG3 GLU 8 8.576 -7.390 9.699 54 HA PRO 9 HA PRO 9 3.240 -3.517 6.917 55 HB2 PRO 9 HB2 PRO 9 4.165 -5.450 4.842 56 HB3 PRO 9 HB3 PRO 9 3.484 -3.819 4.647 57 HG2 PRO 9 HG2 PRO 9 6.048 -4.212 4.267 58 HG3 PRO 9 HG3 PRO 9 5.495 -2.779 5.155 59 HD2 PRO 9 HD2 PRO 9 6.679 -5.311 6.238 60 HD3 PRO 9 HD3 PRO 9 6.987 -3.627 6.732 61 H THR 10 H THR 10 1.281 -4.614 6.823 62 HA THR 10 HA THR 10 1.321 -7.395 7.842 63 HB THR 10 HB THR 10 -0.813 -5.258 8.156 64 HG1 THR 10 HG1 THR 10 -0.056 -5.596 10.424 65 HG21 THR 10 HG21 THR 10 -0.601 -7.987 9.472 66 HG22 THR 10 HG22 THR 10 -1.654 -7.638 8.102 67 HG23 THR 10 HG23 THR 10 -1.920 -6.829 9.647 68 H THR 11 H THR 11 0.415 -8.979 6.691 69 HA THR 11 HA THR 11 -1.129 -8.258 4.280 70 HB THR 11 HB THR 11 0.754 -10.608 4.666 71 HG1 THR 11 HG1 THR 11 2.045 -9.455 3.225 72 HG21 THR 11 HG21 THR 11 -1.336 -10.754 3.017 73 HG22 THR 11 HG22 THR 11 0.251 -11.324 2.511 74 HG23 THR 11 HG23 THR 11 -0.313 -9.738 1.999 75 H VAL 12 H VAL 12 -3.132 -9.083 4.043 76 HA VAL 12 HA VAL 12 -3.873 -11.471 5.605 77 HB VAL 12 HB VAL 12 -5.528 -8.926 5.430 78 HG11 VAL 12 HG11 VAL 12 -7.182 -10.125 6.824 79 HG12 VAL 12 HG12 VAL 12 -6.195 -11.584 6.759 80 HG13 VAL 12 HG13 VAL 12 -6.954 -10.969 5.291 81 HG21 VAL 12 HG21 VAL 12 -5.147 -8.744 7.785 82 HG22 VAL 12 HG22 VAL 12 -3.568 -9.106 7.085 83 HG23 VAL 12 HG23 VAL 12 -4.490 -10.377 7.881 84 H ALA 13 H ALA 13 -5.024 -12.977 4.549 85 HA ALA 13 HA ALA 13 -5.574 -12.571 1.707 86 HB1 ALA 13 HB1 ALA 13 -6.059 -15.150 3.136 87 HB2 ALA 13 HB2 ALA 13 -4.405 -14.630 2.844 88 HB3 ALA 13 HB3 ALA 13 -5.506 -14.876 1.487 89 H PHE 14 H PHE 14 -7.605 -13.025 0.728 90 HA PHE 14 HA PHE 14 -9.887 -13.511 2.473 91 HB2 PHE 14 HB2 PHE 14 -11.178 -11.607 1.705 92 HB3 PHE 14 HB3 PHE 14 -9.664 -11.026 2.384 93 HD1 PHE 14 HD1 PHE 14 -11.715 -11.300 -0.620 94 HD2 PHE 14 HD2 PHE 14 -7.814 -10.264 0.849 95 HE1 PHE 14 HE1 PHE 14 -11.227 -10.119 -2.746 96 HE2 PHE 14 HE2 PHE 14 -7.328 -9.086 -1.277 97 HZ PHE 14 HZ PHE 14 -9.027 -9.006 -3.074 98 H ASP 15 H ASP 15 -11.874 -14.067 1.265 99 HA ASP 15 HA ASP 15 -11.157 -15.465 -1.224 100 HB2 ASP 15 HB2 ASP 15 -13.521 -15.954 0.600 101 HB3 ASP 15 HB3 ASP 15 -13.026 -16.937 -0.779 102 H VAL 16 H VAL 16 -11.947 -14.873 -3.091 103 HA VAL 16 HA VAL 16 -14.156 -12.942 -3.250 104 HB VAL 16 HB VAL 16 -12.204 -13.938 -5.358 105 HG11 VAL 16 HG11 VAL 16 -13.208 -12.580 -6.946 106 HG12 VAL 16 HG12 VAL 16 -13.920 -11.493 -5.764 107 HG13 VAL 16 HG13 VAL 16 -14.631 -13.078 -6.044 108 HG21 VAL 16 HG21 VAL 16 -11.163 -11.741 -5.178 109 HG22 VAL 16 HG22 VAL 16 -11.229 -12.466 -3.571 110 HG23 VAL 16 HG23 VAL 16 -12.389 -11.216 -4.023 111 H ARG 17 H ARG 17 -16.086 -13.897 -3.287 112 HA ARG 17 HA ARG 17 -16.357 -16.488 -4.655 113 HB2 ARG 17 HB2 ARG 17 -17.992 -15.316 -2.400 114 HB3 ARG 17 HB3 ARG 17 -18.327 -16.856 -3.193 115 HG2 ARG 17 HG2 ARG 17 -16.194 -17.770 -2.497 116 HG3 ARG 17 HG3 ARG 17 -15.667 -16.199 -1.875 117 HD2 ARG 17 HD2 ARG 17 -16.402 -17.615 -0.024 118 HD3 ARG 17 HD3 ARG 17 -17.507 -16.255 -0.214 119 HE ARG 17 HE ARG 17 -18.402 -18.538 -1.702 120 HH11 ARG 17 HH11 ARG 17 -18.276 -17.244 1.562 121 HH12 ARG 17 HH12 ARG 17 -19.649 -18.151 2.103 122 HH21 ARG 17 HH21 ARG 17 -20.176 -19.715 -0.950 123 HH22 ARG 17 HH22 ARG 17 -20.715 -19.542 0.688 124 HA PRO 18 HA PRO 18 -18.881 -14.039 -7.572 125 HB2 PRO 18 HB2 PRO 18 -19.500 -15.961 -9.330 126 HB3 PRO 18 HB3 PRO 18 -17.867 -15.268 -9.240 127 HG2 PRO 18 HG2 PRO 18 -18.895 -17.825 -8.090 128 HG3 PRO 18 HG3 PRO 18 -17.386 -17.515 -8.975 129 HD2 PRO 18 HD2 PRO 18 -17.458 -17.675 -6.266 130 HD3 PRO 18 HD3 PRO 18 -16.319 -16.607 -7.125 131 H GLY 19 H GLY 19 -21.085 -14.207 -8.566 132 HA2 GLY 19 HA2 GLY 19 -23.200 -15.700 -8.308 133 HA3 GLY 19 HA3 GLY 19 -22.994 -15.298 -6.607 134 H GLY 20 H GLY 20 -21.980 -12.683 -8.521 135 HA2 GLY 20 HA2 GLY 20 -22.896 -10.664 -9.122 136 HA3 GLY 20 HA3 GLY 20 -24.467 -11.454 -9.157 137 H VAL 21 H VAL 21 -22.488 -11.520 -6.269 138 HA VAL 21 HA VAL 21 -24.389 -9.686 -4.931 139 HB VAL 21 HB VAL 21 -22.816 -11.993 -3.737 140 HG11 VAL 21 HG11 VAL 21 -24.220 -11.574 -1.718 141 HG12 VAL 21 HG12 VAL 21 -24.888 -10.143 -2.503 142 HG13 VAL 21 HG13 VAL 21 -23.173 -10.205 -2.094 143 HG21 VAL 21 HG21 VAL 21 -24.695 -12.707 -5.206 144 HG22 VAL 21 HG22 VAL 21 -25.795 -11.703 -4.263 145 HG23 VAL 21 HG23 VAL 21 -25.009 -13.093 -3.513 146 H VAL 22 H VAL 22 -23.642 -7.913 -4.039 147 HA VAL 22 HA VAL 22 -20.867 -7.183 -4.332 148 HB VAL 22 HB VAL 22 -23.159 -5.719 -2.962 149 HG11 VAL 22 HG11 VAL 22 -21.002 -4.870 -2.185 150 HG12 VAL 22 HG12 VAL 22 -21.721 -3.700 -3.294 151 HG13 VAL 22 HG13 VAL 22 -20.418 -4.754 -3.847 152 HG21 VAL 22 HG21 VAL 22 -23.439 -4.513 -5.024 153 HG22 VAL 22 HG22 VAL 22 -23.391 -6.222 -5.454 154 HG23 VAL 22 HG23 VAL 22 -21.969 -5.212 -5.706 155 H HIS 23 H HIS 23 -19.321 -7.641 -2.983 156 HA HIS 23 HA HIS 23 -19.966 -8.125 -0.122 157 HB2 HIS 23 HB2 HIS 23 -17.783 -9.422 -1.771 158 HB3 HIS 23 HB3 HIS 23 -18.083 -9.688 -0.056 159 HD2 HIS 23 HD2 HIS 23 -19.157 -11.177 -3.384 160 HE1 HIS 23 HE1 HIS 23 -22.110 -12.380 -0.622 161 HE2 HIS 23 HE2 HIS 23 -21.194 -12.752 -2.957 162 H SER 24 H SER 24 -18.770 -7.137 1.389 163 HA SER 24 HA SER 24 -16.628 -5.313 0.453 164 HB2 SER 24 HB2 SER 24 -18.505 -4.981 2.799 165 HB3 SER 24 HB3 SER 24 -17.172 -3.897 2.400 166 HG SER 24 HG SER 24 -18.237 -3.735 0.276 167 H PHE 25 H PHE 25 -14.678 -5.652 1.145 168 HA PHE 25 HA PHE 25 -14.212 -7.025 3.712 169 HB2 PHE 25 HB2 PHE 25 -12.759 -7.526 1.105 170 HB3 PHE 25 HB3 PHE 25 -12.217 -8.134 2.670 171 HD1 PHE 25 HD1 PHE 25 -14.668 -8.481 -0.022 172 HD2 PHE 25 HD2 PHE 25 -13.579 -9.767 3.926 173 HE1 PHE 25 HE1 PHE 25 -16.226 -10.398 -0.214 174 HE2 PHE 25 HE2 PHE 25 -15.140 -11.685 3.735 175 HZ PHE 25 HZ PHE 25 -16.462 -11.999 1.663 176 H SER 26 H SER 26 -12.384 -6.344 4.868 177 HA SER 26 HA SER 26 -10.815 -4.143 3.754 178 HB2 SER 26 HB2 SER 26 -11.272 -2.657 5.620 179 HB3 SER 26 HB3 SER 26 -12.775 -3.083 4.810 180 HG SER 26 HG SER 26 -12.103 -3.439 7.356 181 H HIS 27 H HIS 27 -9.001 -3.522 5.116 182 HA HIS 27 HA HIS 27 -8.131 -5.599 7.008 183 HB2 HIS 27 HB2 HIS 27 -7.188 -6.148 4.784 184 HB3 HIS 27 HB3 HIS 27 -6.456 -4.548 4.702 185 HD2 HIS 27 HD2 HIS 27 -6.013 -6.025 8.250 186 HE1 HIS 27 HE1 HIS 27 -2.465 -6.907 6.157 187 HE2 HIS 27 HE2 HIS 27 -3.558 -6.864 8.443 188 H ASN 28 H ASN 28 -7.200 -4.831 8.784 189 HA ASN 28 HA ASN 28 -6.256 -2.026 8.843 190 HB2 ASN 28 HB2 ASN 28 -7.140 -1.793 11.088 191 HB3 ASN 28 HB3 ASN 28 -8.446 -2.319 10.024 192 HD21 ASN 28 HD21 ASN 28 -8.568 -2.762 12.854 193 HD22 ASN 28 HD22 ASN 28 -8.472 -4.431 13.146 194 H VAL 29 H VAL 29 -4.775 -1.576 10.648 195 HA VAL 29 HA VAL 29 -3.046 -3.906 11.210 196 HB VAL 29 HB VAL 29 -2.192 -2.535 9.328 197 HG11 VAL 29 HG11 VAL 29 -2.170 -0.371 11.419 198 HG12 VAL 29 HG12 VAL 29 -2.973 -0.344 9.851 199 HG13 VAL 29 HG13 VAL 29 -1.210 -0.277 9.945 200 HG21 VAL 29 HG21 VAL 29 0.085 -2.141 10.352 201 HG22 VAL 29 HG22 VAL 29 -0.600 -3.747 10.606 202 HG23 VAL 29 HG23 VAL 29 -0.639 -2.560 11.907 203 H GLY 30 H GLY 30 -1.926 -3.895 13.182 204 HA2 GLY 30 HA2 GLY 30 -3.280 -3.080 15.404 205 HA3 GLY 30 HA3 GLY 30 -1.553 -3.409 15.415 206 HA PRO 31 HA PRO 31 -0.509 0.853 16.373 207 HB2 PRO 31 HB2 PRO 31 0.958 1.091 13.778 208 HB3 PRO 31 HB3 PRO 31 1.512 1.456 15.428 209 HG2 PRO 31 HG2 PRO 31 2.355 -0.721 14.256 210 HG3 PRO 31 HG3 PRO 31 1.830 -0.786 15.953 211 HD2 PRO 31 HD2 PRO 31 0.342 -1.698 13.503 212 HD3 PRO 31 HD3 PRO 31 0.478 -2.485 15.095 213 H GLY 32 H GLY 32 -1.238 0.410 12.927 214 HA2 GLY 32 HA2 GLY 32 -2.553 3.023 12.745 215 HA3 GLY 32 HA3 GLY 32 -2.184 1.944 11.400 216 H ASP 33 H ASP 33 -3.880 1.243 14.457 217 HA ASP 33 HA ASP 33 -5.867 -0.363 13.286 218 HB2 ASP 33 HB2 ASP 33 -5.252 -0.322 15.719 219 HB3 ASP 33 HB3 ASP 33 -6.119 1.203 15.865 220 H LYS 34 H LYS 34 -5.769 3.091 13.931 221 HA LYS 34 HA LYS 34 -8.474 3.746 13.455 222 HB2 LYS 34 HB2 LYS 34 -5.916 5.311 13.115 223 HB3 LYS 34 HB3 LYS 34 -7.525 6.018 12.922 224 HG2 LYS 34 HG2 LYS 34 -8.108 5.469 15.202 225 HG3 LYS 34 HG3 LYS 34 -6.607 4.564 15.419 226 HD2 LYS 34 HD2 LYS 34 -6.216 6.679 16.426 227 HD3 LYS 34 HD3 LYS 34 -5.382 6.746 14.878 228 HE2 LYS 34 HE2 LYS 34 -7.273 7.959 13.876 229 HE3 LYS 34 HE3 LYS 34 -8.158 7.865 15.398 230 HZ1 LYS 34 HZ1 LYS 34 -5.778 9.453 14.731 231 HZ2 LYS 34 HZ2 LYS 34 -6.035 8.976 16.342 232 HZ3 LYS 34 HZ3 LYS 34 -7.192 9.926 15.537 233 H TYR 35 H TYR 35 -5.683 3.434 11.319 234 HA TYR 35 HA TYR 35 -7.175 4.263 8.949 235 HB2 TYR 35 HB2 TYR 35 -4.344 3.225 9.261 236 HB3 TYR 35 HB3 TYR 35 -5.035 3.844 7.762 237 HD1 TYR 35 HD1 TYR 35 -3.733 4.700 11.071 238 HD2 TYR 35 HD2 TYR 35 -5.649 6.239 7.549 239 HE1 TYR 35 HE1 TYR 35 -3.186 7.009 11.785 240 HE2 TYR 35 HE2 TYR 35 -5.101 8.548 8.264 241 HH TYR 35 HH TYR 35 -4.627 9.693 10.570 242 H THR 36 H THR 36 -7.863 2.944 7.264 243 HA THR 36 HA THR 36 -7.196 0.116 7.300 244 HB THR 36 HB THR 36 -9.070 0.164 8.863 245 HG1 THR 36 HG1 THR 36 -9.219 -1.656 7.785 246 HG21 THR 36 HG21 THR 36 -11.352 0.788 7.895 247 HG22 THR 36 HG22 THR 36 -10.471 1.599 6.601 248 HG23 THR 36 HG23 THR 36 -10.272 2.130 8.272 249 H CYS 37 H CYS 37 -7.857 -1.045 5.435 250 HA CYS 37 HA CYS 37 -8.354 0.680 3.078 251 HB2 CYS 37 HB2 CYS 37 -7.120 -2.094 3.030 252 HB3 CYS 37 HB3 CYS 37 -7.110 -0.880 1.751 253 H MET 38 H MET 38 -10.023 0.135 1.698 254 HA MET 38 HA MET 38 -11.685 -2.192 2.469 255 HB2 MET 38 HB2 MET 38 -12.628 0.539 1.601 256 HB3 MET 38 HB3 MET 38 -13.664 -0.867 1.827 257 HG2 MET 38 HG2 MET 38 -13.033 -1.045 4.150 258 HG3 MET 38 HG3 MET 38 -11.896 0.295 3.983 259 HE1 MET 38 HE1 MET 38 -15.594 -0.236 2.546 260 HE2 MET 38 HE2 MET 38 -16.475 0.393 3.935 261 HE3 MET 38 HE3 MET 38 -15.401 -0.988 4.139 262 H PHE 39 H PHE 39 -12.592 -3.383 0.922 263 HA PHE 39 HA PHE 39 -12.212 -2.623 -1.881 264 HB2 PHE 39 HB2 PHE 39 -10.256 -3.968 -1.230 265 HB3 PHE 39 HB3 PHE 39 -11.315 -5.273 -0.718 266 HD1 PHE 39 HD1 PHE 39 -10.750 -3.077 -3.729 267 HD2 PHE 39 HD2 PHE 39 -11.716 -6.999 -2.264 268 HE1 PHE 39 HE1 PHE 39 -10.785 -3.943 -6.054 269 HE2 PHE 39 HE2 PHE 39 -11.750 -7.859 -4.589 270 HZ PHE 39 HZ PHE 39 -11.284 -6.330 -6.483 271 H THR 40 H THR 40 -14.216 -2.583 -2.627 272 HA THR 40 HA THR 40 -16.088 -4.769 -1.912 273 HB THR 40 HB THR 40 -16.701 -2.027 -3.091 274 HG1 THR 40 HG1 THR 40 -17.505 -1.604 -1.054 275 HG21 THR 40 HG21 THR 40 -18.315 -3.763 -3.806 276 HG22 THR 40 HG22 THR 40 -19.061 -2.624 -2.685 277 HG23 THR 40 HG23 THR 40 -18.566 -4.220 -2.121 278 H TYR 41 H TYR 41 -16.662 -6.214 -3.449 279 HA TYR 41 HA TYR 41 -16.243 -5.558 -6.278 280 HB2 TYR 41 HB2 TYR 41 -14.949 -7.611 -6.673 281 HB3 TYR 41 HB3 TYR 41 -14.116 -6.531 -5.559 282 HD1 TYR 41 HD1 TYR 41 -16.030 -9.690 -5.854 283 HD2 TYR 41 HD2 TYR 41 -13.836 -7.120 -3.202 284 HE1 TYR 41 HE1 TYR 41 -15.969 -11.494 -4.156 285 HE2 TYR 41 HE2 TYR 41 -13.771 -8.934 -1.506 286 HH TYR 41 HH TYR 41 -15.732 -11.637 -1.638 287 H ALA 42 H ALA 42 -17.116 -7.090 -7.756 288 HA ALA 42 HA ALA 42 -19.129 -8.963 -6.707 289 HB1 ALA 42 HB1 ALA 42 -20.709 -8.171 -8.518 290 HB2 ALA 42 HB2 ALA 42 -19.640 -6.787 -8.748 291 HB3 ALA 42 HB3 ALA 42 -20.457 -7.022 -7.203 292 H SER 43 H SER 43 -19.118 -10.880 -7.780 293 HA SER 43 HA SER 43 -17.753 -11.024 -10.395 294 HB2 SER 43 HB2 SER 43 -17.241 -12.839 -8.037 295 HB3 SER 43 HB3 SER 43 -16.590 -13.053 -9.662 296 HG SER 43 HG SER 43 -15.164 -11.931 -8.229 297 H GLN 44 H GLN 44 -18.171 -12.920 -11.619 298 HA GLN 44 HA GLN 44 -20.668 -14.332 -10.931 299 HB2 GLN 44 HB2 GLN 44 -21.001 -12.479 -12.621 300 HB3 GLN 44 HB3 GLN 44 -19.960 -13.393 -13.714 301 HG2 GLN 44 HG2 GLN 44 -22.265 -13.960 -14.212 302 HG3 GLN 44 HG3 GLN 44 -21.494 -15.350 -13.442 303 HE21 GLN 44 HE21 GLN 44 -23.017 -12.347 -12.110 304 HE22 GLN 44 HE22 GLN 44 -24.045 -13.176 -11.042 305 H GLY 45 H GLY 45 -20.509 -16.475 -11.098 306 HA2 GLY 45 HA2 GLY 45 -19.492 -18.150 -12.909 307 HA3 GLY 45 HA3 GLY 45 -18.032 -17.670 -12.037 308 H GLY 46 H GLY 46 -18.322 -20.192 -11.770 309 HA2 GLY 46 HA2 GLY 46 -19.932 -20.740 -9.347 310 HA3 GLY 46 HA3 GLY 46 -19.441 -21.945 -10.529 311 H THR 47 H THR 47 -16.815 -19.885 -9.987 312 HA THR 47 HA THR 47 -15.750 -21.595 -7.813 313 HB THR 47 HB THR 47 -14.218 -20.692 -10.274 314 HG1 THR 47 HG1 THR 47 -14.826 -22.511 -11.111 315 HG21 THR 47 HG21 THR 47 -13.450 -22.567 -8.015 316 HG22 THR 47 HG22 THR 47 -12.831 -20.931 -8.231 317 HG23 THR 47 HG23 THR 47 -12.456 -22.178 -9.419 318 H ASN 48 H ASN 48 -14.789 -20.569 -6.173 319 HA ASN 48 HA ASN 48 -14.701 -17.686 -6.159 320 HB2 ASN 48 HB2 ASN 48 -14.122 -17.895 -3.819 321 HB3 ASN 48 HB3 ASN 48 -15.422 -19.031 -4.173 322 HD21 ASN 48 HD21 ASN 48 -13.753 -19.457 -1.919 323 HD22 ASN 48 HD22 ASN 48 -12.784 -20.824 -2.192 324 H GLU 49 H GLU 49 -12.566 -16.831 -4.905 325 HA GLU 49 HA GLU 49 -10.150 -18.003 -6.069 326 HB2 GLU 49 HB2 GLU 49 -11.017 -16.356 -7.724 327 HB3 GLU 49 HB3 GLU 49 -10.913 -15.107 -6.486 328 HG2 GLU 49 HG2 GLU 49 -8.933 -15.017 -7.911 329 HG3 GLU 49 HG3 GLU 49 -8.472 -15.516 -6.287 330 H GLN 50 H GLN 50 -8.259 -17.393 -5.038 331 HA GLN 50 HA GLN 50 -8.629 -16.201 -2.364 332 HB2 GLN 50 HB2 GLN 50 -6.427 -17.963 -3.462 333 HB3 GLN 50 HB3 GLN 50 -6.420 -17.247 -1.849 334 HG2 GLN 50 HG2 GLN 50 -8.543 -18.384 -1.325 335 HG3 GLN 50 HG3 GLN 50 -8.552 -19.111 -2.933 336 HE21 GLN 50 HE21 GLN 50 -8.217 -21.316 -2.353 337 HE22 GLN 50 HE22 GLN 50 -6.839 -21.863 -1.526 338 H TRP 51 H TRP 51 -7.737 -14.319 -1.866 339 HA TRP 51 HA TRP 51 -5.785 -13.112 -3.730 340 HB2 TRP 51 HB2 TRP 51 -8.240 -11.893 -2.515 341 HB3 TRP 51 HB3 TRP 51 -6.941 -10.910 -3.186 342 HD1 TRP 51 HD1 TRP 51 -9.299 -13.779 -4.275 343 HE1 TRP 51 HE1 TRP 51 -9.786 -13.488 -6.799 344 HE3 TRP 51 HE3 TRP 51 -6.311 -9.765 -5.295 345 HZ2 TRP 51 HZ2 TRP 51 -9.010 -11.766 -8.954 346 HZ3 TRP 51 HZ3 TRP 51 -6.204 -8.817 -7.581 347 HH2 TRP 51 HH2 TRP 51 -7.546 -9.805 -9.410 348 H GLN 52 H GLN 52 -4.235 -11.820 -2.931 349 HA GLN 52 HA GLN 52 -3.818 -11.883 -0.009 350 HB2 GLN 52 HB2 GLN 52 -1.901 -11.574 -2.326 351 HB3 GLN 52 HB3 GLN 52 -1.444 -11.268 -0.656 352 HG2 GLN 52 HG2 GLN 52 -2.720 -13.871 -1.494 353 HG3 GLN 52 HG3 GLN 52 -0.972 -13.626 -1.525 354 HE21 GLN 52 HE21 GLN 52 -3.525 -14.624 0.466 355 HE22 GLN 52 HE22 GLN 52 -2.735 -14.459 1.959 356 H MET 53 H MET 53 -3.664 -10.058 1.131 357 HA MET 53 HA MET 53 -3.763 -7.473 -0.306 358 HB2 MET 53 HB2 MET 53 -4.970 -8.142 2.392 359 HB3 MET 53 HB3 MET 53 -4.979 -6.559 1.605 360 HG2 MET 53 HG2 MET 53 -6.284 -7.479 -0.268 361 HG3 MET 53 HG3 MET 53 -6.240 -9.071 0.472 362 HE1 MET 53 HE1 MET 53 -8.473 -5.346 1.954 363 HE2 MET 53 HE2 MET 53 -7.583 -5.533 0.447 364 HE3 MET 53 HE3 MET 53 -6.707 -5.446 1.972 365 H SER 54 H SER 54 -2.323 -5.945 0.312 366 HA SER 54 HA SER 54 -0.685 -6.448 2.694 367 HB2 SER 54 HB2 SER 54 0.583 -7.437 0.868 368 HB3 SER 54 HB3 SER 54 0.429 -5.955 -0.069 369 HG SER 54 HG SER 54 1.772 -4.940 1.313 370 H LEU 55 H LEU 55 -0.553 -4.702 3.873 371 HA LEU 55 HA LEU 55 -0.614 -2.056 2.557 372 HB2 LEU 55 HB2 LEU 55 -1.905 -1.174 4.489 373 HB3 LEU 55 HB3 LEU 55 -2.793 -2.361 3.539 374 HG LEU 55 HG LEU 55 -1.698 -4.059 5.367 375 HD11 LEU 55 HD11 LEU 55 -2.234 -1.657 7.122 376 HD12 LEU 55 HD12 LEU 55 -0.625 -1.938 6.479 377 HD13 LEU 55 HD13 LEU 55 -1.381 -3.151 7.502 378 HD21 LEU 55 HD21 LEU 55 -4.120 -3.796 4.882 379 HD22 LEU 55 HD22 LEU 55 -4.159 -2.350 5.892 380 HD23 LEU 55 HD23 LEU 55 -3.824 -3.922 6.618 381 H GLY 56 H GLY 56 0.614 -0.454 3.506 382 HA2 GLY 56 HA2 GLY 56 2.291 -1.158 5.806 383 HA3 GLY 56 HA3 GLY 56 3.097 -0.750 4.293 384 H THR 57 H THR 57 3.550 0.730 6.563 385 HA THR 57 HA THR 57 2.234 3.300 5.919 386 HB THR 57 HB THR 57 2.256 3.881 8.306 387 HG1 THR 57 HG1 THR 57 3.377 2.730 9.632 388 HG21 THR 57 HG21 THR 57 0.955 1.184 8.275 389 HG22 THR 57 HG22 THR 57 0.375 2.389 7.128 390 HG23 THR 57 HG23 THR 57 0.324 2.721 8.857 391 H SER 58 H SER 58 3.445 5.186 6.453 392 HA SER 58 HA SER 58 6.190 5.050 5.712 393 HB2 SER 58 HB2 SER 58 4.858 7.017 5.188 394 HB3 SER 58 HB3 SER 58 4.566 7.305 6.903 395 HG SER 58 HG SER 58 7.025 7.388 5.483 396 H GLU 59 H GLU 59 8.034 5.630 6.983 397 HA GLU 59 HA GLU 59 8.246 4.337 9.446 398 HB2 GLU 59 HB2 GLU 59 10.411 5.491 9.694 399 HB3 GLU 59 HB3 GLU 59 10.200 4.897 8.047 400 HG2 GLU 59 HG2 GLU 59 9.429 7.174 7.352 401 HG3 GLU 59 HG3 GLU 59 9.725 7.752 8.990 402 H ASP 60 H ASP 60 7.294 7.630 8.729 403 HA ASP 60 HA ASP 60 7.074 8.262 11.601 404 HB2 ASP 60 HB2 ASP 60 6.890 10.082 9.190 405 HB3 ASP 60 HB3 ASP 60 6.762 10.596 10.874 406 H HIS 61 H HIS 61 5.190 6.781 9.413 407 HA HIS 61 HA HIS 61 2.965 6.421 9.117 408 HB2 HIS 61 HB2 HIS 61 2.899 7.724 11.847 409 HB3 HIS 61 HB3 HIS 61 1.464 7.047 11.064 410 HD2 HIS 61 HD2 HIS 61 5.096 5.623 11.937 411 HE1 HIS 61 HE1 HIS 61 2.253 2.512 12.217 412 HE2 HIS 61 HE2 HIS 61 4.707 3.101 12.496 413 H GLN 62 H GLN 62 4.201 8.830 8.066 414 HA GLN 62 HA GLN 62 2.205 10.917 8.135 415 HB2 GLN 62 HB2 GLN 62 3.630 12.012 6.419 416 HB3 GLN 62 HB3 GLN 62 4.539 11.559 7.864 417 HG2 GLN 62 HG2 GLN 62 5.423 9.595 6.770 418 HG3 GLN 62 HG3 GLN 62 4.408 9.854 5.354 419 HE21 GLN 62 HE21 GLN 62 5.611 10.733 3.665 420 HE22 GLN 62 HE22 GLN 62 6.893 11.830 3.848 421 H HIS 63 H HIS 63 3.034 8.206 6.075 422 HA HIS 63 HA HIS 63 0.668 8.780 4.408 423 HB2 HIS 63 HB2 HIS 63 3.438 8.001 3.499 424 HB3 HIS 63 HB3 HIS 63 2.014 7.765 2.484 425 HD2 HIS 63 HD2 HIS 63 3.133 11.014 4.576 426 HE1 HIS 63 HE1 HIS 63 2.069 12.153 0.667 427 HE2 HIS 63 HE2 HIS 63 2.850 12.999 2.922 428 H PHE 64 H PHE 64 -0.378 6.989 3.495 429 HA PHE 64 HA PHE 64 0.286 4.347 4.646 430 HB2 PHE 64 HB2 PHE 64 -2.467 5.606 4.451 431 HB3 PHE 64 HB3 PHE 64 -2.142 3.946 4.954 432 HD1 PHE 64 HD1 PHE 64 -1.753 7.515 5.862 433 HD2 PHE 64 HD2 PHE 64 -1.238 3.450 7.139 434 HE1 PHE 64 HE1 PHE 64 -1.386 8.296 8.187 435 HE2 PHE 64 HE2 PHE 64 -0.863 4.226 9.464 436 HZ PHE 64 HZ PHE 64 -0.941 6.650 9.989 437 H THR 65 H THR 65 -0.140 2.559 3.307 438 HA THR 65 HA THR 65 -1.313 3.099 0.657 439 HB THR 65 HB THR 65 0.433 1.734 -0.425 440 HG1 THR 65 HG1 THR 65 0.984 0.623 1.565 441 HG21 THR 65 HG21 THR 65 2.190 3.411 -0.363 442 HG22 THR 65 HG22 THR 65 1.594 4.023 1.181 443 HG23 THR 65 HG23 THR 65 0.622 4.216 -0.279 444 H CYS 66 H CYS 66 -2.343 1.392 -0.348 445 HA CYS 66 HA CYS 66 -2.630 -1.131 1.168 446 HB2 CYS 66 HB2 CYS 66 -4.896 0.222 -0.312 447 HB3 CYS 66 HB3 CYS 66 -4.979 -1.197 0.735 448 H THR 67 H THR 67 -2.513 -2.948 -0.111 449 HA THR 67 HA THR 67 -2.640 -2.597 -3.047 450 HB THR 67 HB THR 67 -0.481 -4.142 -1.601 451 HG1 THR 67 HG1 THR 67 0.830 -2.450 -2.165 452 HG21 THR 67 HG21 THR 67 -1.347 -4.743 -4.066 453 HG22 THR 67 HG22 THR 67 0.372 -4.739 -3.683 454 HG23 THR 67 HG23 THR 67 -0.351 -3.350 -4.487 455 H ILE 68 H ILE 68 -3.812 -4.107 -4.078 456 HA ILE 68 HA ILE 68 -4.349 -6.678 -2.694 457 HB ILE 68 HB ILE 68 -6.431 -5.051 -4.212 458 HG12 ILE 68 HG12 ILE 68 -6.322 -5.658 -1.232 459 HG13 ILE 68 HG13 ILE 68 -5.688 -4.161 -1.913 460 HG21 ILE 68 HG21 ILE 68 -6.558 -7.680 -2.689 461 HG22 ILE 68 HG22 ILE 68 -6.868 -7.436 -4.408 462 HG23 ILE 68 HG23 ILE 68 -7.984 -6.781 -3.210 463 HD11 ILE 68 HD11 ILE 68 -8.547 -5.154 -2.055 464 HD12 ILE 68 HD12 ILE 68 -7.949 -3.748 -2.933 465 HD13 ILE 68 HD13 ILE 68 -7.958 -3.749 -1.168 466 H TRP 69 H TRP 69 -3.843 -8.393 -3.904 467 HA TRP 69 HA TRP 69 -4.406 -8.470 -6.747 468 HB2 TRP 69 HB2 TRP 69 -2.153 -8.945 -7.528 469 HB3 TRP 69 HB3 TRP 69 -2.112 -7.415 -6.664 470 HD1 TRP 69 HD1 TRP 69 -0.658 -10.857 -6.670 471 HE1 TRP 69 HE1 TRP 69 0.961 -11.138 -4.686 472 HE3 TRP 69 HE3 TRP 69 -1.764 -6.642 -4.068 473 HZ2 TRP 69 HZ2 TRP 69 1.686 -9.754 -2.300 474 HZ3 TRP 69 HZ3 TRP 69 -0.598 -6.135 -1.920 475 HH2 TRP 69 HH2 TRP 69 1.125 -7.700 -1.044 476 H ARG 70 H ARG 70 -4.033 -10.680 -7.656 477 HA ARG 70 HA ARG 70 -4.685 -12.683 -5.637 478 HB2 ARG 70 HB2 ARG 70 -5.314 -14.127 -7.456 479 HB3 ARG 70 HB3 ARG 70 -5.933 -12.523 -7.842 480 HG2 ARG 70 HG2 ARG 70 -3.823 -12.160 -9.210 481 HG3 ARG 70 HG3 ARG 70 -3.486 -13.874 -8.927 482 HD2 ARG 70 HD2 ARG 70 -4.591 -13.709 -11.062 483 HD3 ARG 70 HD3 ARG 70 -5.738 -14.398 -9.911 484 HE ARG 70 HE ARG 70 -7.027 -12.467 -10.104 485 HH11 ARG 70 HH11 ARG 70 -3.863 -11.897 -11.516 486 HH12 ARG 70 HH12 ARG 70 -4.308 -10.376 -12.218 487 HH21 ARG 70 HH21 ARG 70 -7.579 -10.487 -11.061 488 HH22 ARG 70 HH22 ARG 70 -6.401 -9.587 -11.956 489 HA PRO 71 HA PRO 71 -0.570 -14.353 -5.255 490 HB2 PRO 71 HB2 PRO 71 -0.988 -16.925 -4.625 491 HB3 PRO 71 HB3 PRO 71 -1.480 -15.599 -3.546 492 HG2 PRO 71 HG2 PRO 71 -3.148 -17.110 -5.521 493 HG3 PRO 71 HG3 PRO 71 -3.493 -16.752 -3.806 494 HD2 PRO 71 HD2 PRO 71 -4.537 -15.306 -5.822 495 HD3 PRO 71 HD3 PRO 71 -4.081 -14.558 -4.271 496 H GLN 72 H GLN 72 -2.674 -16.416 -7.259 497 HA GLN 72 HA GLN 72 -0.667 -17.959 -8.486 498 HB2 GLN 72 HB2 GLN 72 -3.476 -17.270 -9.324 499 HB3 GLN 72 HB3 GLN 72 -2.461 -18.399 -10.229 500 HG2 GLN 72 HG2 GLN 72 -2.188 -19.761 -8.172 501 HG3 GLN 72 HG3 GLN 72 -3.252 -18.645 -7.310 502 HE21 GLN 72 HE21 GLN 72 -5.113 -19.934 -7.001 503 HE22 GLN 72 HE22 GLN 72 -5.973 -20.666 -8.270 504 H GLY 73 H GLY 73 -2.140 -14.951 -9.413 505 HA2 GLY 73 HA2 GLY 73 -0.835 -13.268 -10.601 506 HA3 GLY 73 HA3 GLY 73 -0.118 -14.583 -11.535 507 H LYS 74 H LYS 74 -2.687 -16.001 -11.874 508 HA LYS 74 HA LYS 74 -4.304 -14.123 -13.423 509 HB2 LYS 74 HB2 LYS 74 -4.377 -15.675 -15.358 510 HB3 LYS 74 HB3 LYS 74 -2.784 -14.967 -15.101 511 HG2 LYS 74 HG2 LYS 74 -2.144 -17.065 -13.840 512 HG3 LYS 74 HG3 LYS 74 -3.687 -17.766 -14.334 513 HD2 LYS 74 HD2 LYS 74 -1.687 -16.654 -16.323 514 HD3 LYS 74 HD3 LYS 74 -1.681 -18.342 -15.818 515 HE2 LYS 74 HE2 LYS 74 -4.042 -18.556 -16.586 516 HE3 LYS 74 HE3 LYS 74 -3.991 -16.882 -17.144 517 HZ1 LYS 74 HZ1 LYS 74 -2.096 -17.514 -18.570 518 HZ2 LYS 74 HZ2 LYS 74 -3.528 -18.333 -18.976 519 HZ3 LYS 74 HZ3 LYS 74 -2.304 -19.130 -18.106 520 H SER 75 H SER 75 -6.373 -14.405 -13.060 521 HA SER 75 HA SER 75 -7.334 -17.036 -12.110 522 HB2 SER 75 HB2 SER 75 -7.492 -15.462 -10.293 523 HB3 SER 75 HB3 SER 75 -8.246 -14.257 -11.334 524 HG SER 75 HG SER 75 -10.077 -15.195 -10.931 525 H TYR 76 H TYR 76 -9.062 -17.943 -13.178 526 HA TYR 76 HA TYR 76 -10.115 -16.423 -15.481 527 HB2 TYR 76 HB2 TYR 76 -9.038 -18.639 -15.906 528 HB3 TYR 76 HB3 TYR 76 -10.298 -19.400 -14.933 529 HD1 TYR 76 HD1 TYR 76 -9.670 -17.402 -18.017 530 HD2 TYR 76 HD2 TYR 76 -12.484 -19.804 -15.830 531 HE1 TYR 76 HE1 TYR 76 -11.160 -17.466 -19.999 532 HE2 TYR 76 HE2 TYR 76 -13.971 -19.865 -17.813 533 HH TYR 76 HH TYR 76 -13.831 -19.600 -20.219 534 H LEU 77 H LEU 77 -11.613 -15.173 -14.328 535 HA LEU 77 HA LEU 77 -14.142 -16.536 -13.803 536 HB2 LEU 77 HB2 LEU 77 -12.724 -14.758 -11.821 537 HB3 LEU 77 HB3 LEU 77 -14.475 -14.981 -11.780 538 HG LEU 77 HG LEU 77 -12.562 -17.337 -11.779 539 HD11 LEU 77 HD11 LEU 77 -13.776 -15.896 -9.402 540 HD12 LEU 77 HD12 LEU 77 -12.062 -15.920 -9.822 541 HD13 LEU 77 HD13 LEU 77 -12.872 -17.408 -9.329 542 HD21 LEU 77 HD21 LEU 77 -15.448 -16.980 -10.888 543 HD22 LEU 77 HD22 LEU 77 -14.533 -18.486 -10.810 544 HD23 LEU 77 HD23 LEU 77 -14.935 -17.784 -12.371 545 H TYR 78 H TYR 78 -16.006 -15.214 -14.097 546 HA TYR 78 HA TYR 78 -15.481 -12.865 -15.775 547 HB2 TYR 78 HB2 TYR 78 -17.097 -14.672 -16.497 548 HB3 TYR 78 HB3 TYR 78 -18.147 -14.166 -15.169 549 HD1 TYR 78 HD1 TYR 78 -16.613 -13.133 -18.379 550 HD2 TYR 78 HD2 TYR 78 -19.359 -12.073 -15.247 551 HE1 TYR 78 HE1 TYR 78 -17.501 -11.293 -19.781 552 HE2 TYR 78 HE2 TYR 78 -20.247 -10.233 -16.651 553 HH TYR 78 HH TYR 78 -20.322 -9.848 -19.345 554 H PHE 79 H PHE 79 -14.972 -11.237 -14.412 555 HA PHE 79 HA PHE 79 -16.379 -10.814 -11.930 556 HB2 PHE 79 HB2 PHE 79 -14.232 -9.225 -13.337 557 HB3 PHE 79 HB3 PHE 79 -14.893 -8.817 -11.751 558 HD1 PHE 79 HD1 PHE 79 -12.790 -11.146 -13.646 559 HD2 PHE 79 HD2 PHE 79 -14.516 -10.285 -9.814 560 HE1 PHE 79 HE1 PHE 79 -11.240 -12.764 -12.586 561 HE2 PHE 79 HE2 PHE 79 -12.969 -11.903 -8.752 562 HZ PHE 79 HZ PHE 79 -11.329 -13.144 -10.136 563 H THR 80 H THR 80 -17.923 -9.337 -11.466 564 HA THR 80 HA THR 80 -19.341 -8.082 -13.635 565 HB THR 80 HB THR 80 -19.685 -7.755 -10.636 566 HG1 THR 80 HG1 THR 80 -20.245 -9.781 -10.941 567 HG21 THR 80 HG21 THR 80 -20.788 -5.937 -11.773 568 HG22 THR 80 HG22 THR 80 -22.032 -7.105 -11.331 569 HG23 THR 80 HG23 THR 80 -21.445 -7.029 -12.993 570 H GLN 81 H GLN 81 -17.270 -6.971 -10.965 571 HA GLN 81 HA GLN 81 -16.010 -4.907 -12.346 572 HB2 GLN 81 HB2 GLN 81 -17.074 -2.872 -11.369 573 HB3 GLN 81 HB3 GLN 81 -18.142 -3.720 -12.487 574 HG2 GLN 81 HG2 GLN 81 -19.198 -4.860 -10.508 575 HG3 GLN 81 HG3 GLN 81 -18.202 -3.850 -9.454 576 HE21 GLN 81 HE21 GLN 81 -21.258 -4.012 -10.759 577 HE22 GLN 81 HE22 GLN 81 -21.639 -2.358 -10.771 578 H PHE 82 H PHE 82 -14.780 -3.397 -10.882 579 HA PHE 82 HA PHE 82 -14.367 -4.633 -8.206 580 HB2 PHE 82 HB2 PHE 82 -12.259 -3.434 -9.997 581 HB3 PHE 82 HB3 PHE 82 -12.013 -4.098 -8.382 582 HD1 PHE 82 HD1 PHE 82 -12.494 -4.878 -11.913 583 HD2 PHE 82 HD2 PHE 82 -12.279 -6.538 -7.959 584 HE1 PHE 82 HE1 PHE 82 -12.156 -7.135 -12.881 585 HE2 PHE 82 HE2 PHE 82 -11.943 -8.797 -8.927 586 HZ PHE 82 HZ PHE 82 -11.876 -9.092 -11.388 587 H LYS 83 H LYS 83 -13.918 -3.248 -6.488 588 HA LYS 83 HA LYS 83 -13.725 -0.369 -7.018 589 HB2 LYS 83 HB2 LYS 83 -15.779 -1.564 -5.137 590 HB3 LYS 83 HB3 LYS 83 -15.470 0.157 -5.381 591 HG2 LYS 83 HG2 LYS 83 -16.036 -0.098 -7.784 592 HG3 LYS 83 HG3 LYS 83 -16.398 -1.795 -7.497 593 HD2 LYS 83 HD2 LYS 83 -18.138 -1.183 -5.873 594 HD3 LYS 83 HD3 LYS 83 -17.820 0.528 -6.173 595 HE2 LYS 83 HE2 LYS 83 -18.357 0.205 -8.546 596 HE3 LYS 83 HE3 LYS 83 -18.710 -1.495 -8.238 597 HZ1 LYS 83 HZ1 LYS 83 -20.519 -0.924 -6.849 598 HZ2 LYS 83 HZ2 LYS 83 -20.693 0.025 -8.248 599 HZ3 LYS 83 HZ3 LYS 83 -20.091 0.716 -6.817 600 H ALA 84 H ALA 84 -12.523 0.763 -5.503 601 HA ALA 84 HA ALA 84 -11.727 -0.594 -3.031 602 HB1 ALA 84 HB1 ALA 84 -9.925 -1.309 -4.344 603 HB2 ALA 84 HB2 ALA 84 -9.309 0.146 -3.558 604 HB3 ALA 84 HB3 ALA 84 -9.848 0.211 -5.235 605 H GLU 85 H GLU 85 -11.320 0.758 -1.351 606 HA GLU 85 HA GLU 85 -10.786 3.568 -1.753 607 HB2 GLU 85 HB2 GLU 85 -12.773 4.371 -0.504 608 HB3 GLU 85 HB3 GLU 85 -13.216 3.576 -2.020 609 HG2 GLU 85 HG2 GLU 85 -13.663 1.479 -0.764 610 HG3 GLU 85 HG3 GLU 85 -13.300 2.319 0.744 611 H VAL 86 H VAL 86 -10.567 4.717 0.411 612 HA VAL 86 HA VAL 86 -9.703 2.822 2.528 613 HB VAL 86 HB VAL 86 -7.791 4.304 3.014 614 HG11 VAL 86 HG11 VAL 86 -7.591 2.321 1.496 615 HG12 VAL 86 HG12 VAL 86 -6.419 3.585 1.129 616 HG13 VAL 86 HG13 VAL 86 -7.852 3.391 0.120 617 HG21 VAL 86 HG21 VAL 86 -8.860 5.782 0.593 618 HG22 VAL 86 HG22 VAL 86 -7.167 5.924 1.076 619 HG23 VAL 86 HG23 VAL 86 -8.446 6.442 2.175 620 H ARG 87 H ARG 87 -9.615 3.676 4.677 621 HA ARG 87 HA ARG 87 -11.322 6.051 5.101 622 HB2 ARG 87 HB2 ARG 87 -11.474 3.455 6.647 623 HB3 ARG 87 HB3 ARG 87 -12.386 4.918 7.013 624 HG2 ARG 87 HG2 ARG 87 -12.560 3.482 4.343 625 HG3 ARG 87 HG3 ARG 87 -13.668 3.169 5.675 626 HD2 ARG 87 HD2 ARG 87 -13.247 5.860 4.323 627 HD3 ARG 87 HD3 ARG 87 -14.633 4.800 4.098 628 HE ARG 87 HE ARG 87 -14.105 6.508 6.398 629 HH11 ARG 87 HH11 ARG 87 -15.923 3.757 5.193 630 HH12 ARG 87 HH12 ARG 87 -17.163 3.894 6.396 631 HH21 ARG 87 HH21 ARG 87 -15.742 6.654 7.949 632 HH22 ARG 87 HH22 ARG 87 -17.058 5.528 7.947 633 H GLY 88 H GLY 88 -10.948 7.262 6.934 634 HA2 GLY 88 HA2 GLY 88 -9.798 8.016 8.819 635 HA3 GLY 88 HA3 GLY 88 -8.734 6.616 8.711 636 H ALA 89 H ALA 89 -8.855 7.891 5.643 637 HA ALA 89 HA ALA 89 -7.046 10.112 5.911 638 HB1 ALA 89 HB1 ALA 89 -5.378 8.444 6.256 639 HB2 ALA 89 HB2 ALA 89 -5.227 8.957 4.575 640 HB3 ALA 89 HB3 ALA 89 -6.025 7.432 4.963 641 H GLU 90 H GLU 90 -6.275 10.830 3.695 642 HA GLU 90 HA GLU 90 -8.442 10.380 1.742 643 HB2 GLU 90 HB2 GLU 90 -7.765 12.544 0.746 644 HB3 GLU 90 HB3 GLU 90 -8.215 12.719 2.439 645 HG2 GLU 90 HG2 GLU 90 -5.826 12.666 3.085 646 HG3 GLU 90 HG3 GLU 90 -5.368 12.500 1.391 647 H ILE 91 H ILE 91 -7.952 10.042 -0.449 648 HA ILE 91 HA ILE 91 -5.497 8.535 -0.826 649 HB ILE 91 HB ILE 91 -7.862 8.925 -2.700 650 HG12 ILE 91 HG12 ILE 91 -7.135 6.487 -1.029 651 HG13 ILE 91 HG13 ILE 91 -8.258 7.724 -0.458 652 HG21 ILE 91 HG21 ILE 91 -5.477 7.030 -2.796 653 HG22 ILE 91 HG22 ILE 91 -5.863 8.296 -3.962 654 HG23 ILE 91 HG23 ILE 91 -6.902 6.878 -3.828 655 HD11 ILE 91 HD11 ILE 91 -9.666 7.335 -2.481 656 HD12 ILE 91 HD12 ILE 91 -9.515 5.887 -1.486 657 HD13 ILE 91 HD13 ILE 91 -8.571 6.040 -2.968 658 H GLU 92 H GLU 92 -3.729 9.250 -1.731 659 HA GLU 92 HA GLU 92 -3.598 11.875 -2.964 660 HB2 GLU 92 HB2 GLU 92 -1.479 9.760 -2.529 661 HB3 GLU 92 HB3 GLU 92 -1.185 11.383 -3.156 662 HG2 GLU 92 HG2 GLU 92 -2.044 12.360 -1.085 663 HG3 GLU 92 HG3 GLU 92 -2.389 10.746 -0.454 664 H TYR 93 H TYR 93 -3.194 8.472 -3.868 665 HA TYR 93 HA TYR 93 -3.918 8.993 -6.614 666 HB2 TYR 93 HB2 TYR 93 -1.449 9.553 -6.455 667 HB3 TYR 93 HB3 TYR 93 -1.172 7.854 -6.075 668 HD1 TYR 93 HD1 TYR 93 -2.298 10.223 -8.676 669 HD2 TYR 93 HD2 TYR 93 -1.461 6.118 -7.737 670 HE1 TYR 93 HE1 TYR 93 -2.377 9.657 -11.089 671 HE2 TYR 93 HE2 TYR 93 -1.542 5.555 -10.146 672 HH TYR 93 HH TYR 93 -2.690 7.788 -12.524 673 H ALA 94 H ALA 94 -4.853 7.216 -7.490 674 HA ALA 94 HA ALA 94 -4.313 4.570 -6.327 675 HB1 ALA 94 HB1 ALA 94 -6.828 4.127 -6.525 676 HB2 ALA 94 HB2 ALA 94 -7.016 5.878 -6.613 677 HB3 ALA 94 HB3 ALA 94 -6.303 5.139 -5.180 678 H MET 95 H MET 95 -4.334 2.911 -7.787 679 HA MET 95 HA MET 95 -5.517 3.172 -10.398 680 HB2 MET 95 HB2 MET 95 -3.471 2.999 -11.714 681 HB3 MET 95 HB3 MET 95 -3.412 4.453 -10.717 682 HG2 MET 95 HG2 MET 95 -1.979 3.312 -9.085 683 HG3 MET 95 HG3 MET 95 -2.092 1.810 -10.010 684 HE1 MET 95 HE1 MET 95 -0.156 2.260 -13.132 685 HE2 MET 95 HE2 MET 95 -1.837 2.787 -13.119 686 HE3 MET 95 HE3 MET 95 -1.357 1.381 -12.172 687 H ALA 96 H ALA 96 -4.817 1.228 -11.809 688 HA ALA 96 HA ALA 96 -4.330 -1.162 -10.173 689 HB1 ALA 96 HB1 ALA 96 -6.873 -0.493 -10.968 690 HB2 ALA 96 HB2 ALA 96 -6.336 -2.130 -10.610 691 HB3 ALA 96 HB3 ALA 96 -6.363 -1.558 -12.274 692 H TYR 97 H TYR 97 -3.554 -3.000 -11.408 693 HA TYR 97 HA TYR 97 -2.400 -2.216 -14.033 694 HB2 TYR 97 HB2 TYR 97 -1.270 -4.014 -11.898 695 HB3 TYR 97 HB3 TYR 97 -0.565 -3.826 -13.503 696 HD1 TYR 97 HD1 TYR 97 -1.091 -2.285 -10.222 697 HD2 TYR 97 HD2 TYR 97 0.399 -1.649 -14.202 698 HE1 TYR 97 HE1 TYR 97 0.106 -0.255 -9.453 699 HE2 TYR 97 HE2 TYR 97 1.595 0.381 -13.430 700 HH TYR 97 HH TYR 97 1.043 1.765 -10.312 701 H SER 98 H SER 98 -3.452 -3.203 -15.641 702 HA SER 98 HA SER 98 -4.959 -5.618 -15.428 703 HB2 SER 98 HB2 SER 98 -3.814 -4.177 -17.832 704 HB3 SER 98 HB3 SER 98 -4.827 -5.611 -17.954 705 HG SER 98 HG SER 98 -5.640 -3.175 -17.830 706 H LYS 99 H LYS 99 -1.709 -4.852 -16.518 707 HA LYS 99 HA LYS 99 -0.848 -7.585 -16.028 708 HB2 LYS 99 HB2 LYS 99 -1.632 -7.575 -18.406 709 HB3 LYS 99 HB3 LYS 99 -0.456 -6.312 -18.753 710 HG2 LYS 99 HG2 LYS 99 0.573 -8.386 -19.406 711 HG3 LYS 99 HG3 LYS 99 1.350 -7.902 -17.899 712 HD2 LYS 99 HD2 LYS 99 0.871 -10.247 -17.699 713 HD3 LYS 99 HD3 LYS 99 -0.322 -9.436 -16.697 714 HE2 LYS 99 HE2 LYS 99 -2.000 -9.630 -18.464 715 HE3 LYS 99 HE3 LYS 99 -0.801 -10.318 -19.560 716 HZ1 LYS 99 HZ1 LYS 99 -2.241 -11.983 -18.452 717 HZ2 LYS 99 HZ2 LYS 99 -1.564 -11.526 -16.961 718 HZ3 LYS 99 HZ3 LYS 99 -0.586 -12.218 -18.166 719 H ALA 100 H ALA 100 1.135 -7.615 -15.194 720 HA ALA 100 HA ALA 100 2.602 -5.125 -14.896 721 HB1 ALA 100 HB1 ALA 100 4.201 -6.730 -13.624 722 HB2 ALA 100 HB2 ALA 100 2.890 -7.899 -13.774 723 HB3 ALA 100 HB3 ALA 100 2.622 -6.379 -12.921 724 H ALA 101 H ALA 101 4.562 -4.631 -15.793 725 HA ALA 101 HA ALA 101 5.189 -5.767 -18.299 726 HB1 ALA 101 HB1 ALA 101 6.822 -3.945 -16.525 727 HB2 ALA 101 HB2 ALA 101 5.735 -3.453 -17.823 728 HB3 ALA 101 HB3 ALA 101 7.219 -4.327 -18.200 729 H PHE 102 H PHE 102 5.887 -7.801 -18.499 730 HA PHE 102 HA PHE 102 8.078 -8.722 -16.737 731 HB2 PHE 102 HB2 PHE 102 5.950 -10.020 -16.544 732 HB3 PHE 102 HB3 PHE 102 6.081 -10.431 -18.256 733 HD1 PHE 102 HD1 PHE 102 7.747 -10.765 -14.946 734 HD2 PHE 102 HD2 PHE 102 7.571 -12.157 -19.005 735 HE1 PHE 102 HE1 PHE 102 9.260 -12.643 -14.366 736 HE2 PHE 102 HE2 PHE 102 9.083 -14.036 -18.428 737 HZ PHE 102 HZ PHE 102 9.927 -14.279 -16.107 738 H GLU 103 H GLU 103 9.936 -8.429 -17.769 739 HA GLU 103 HA GLU 103 11.532 -8.325 -19.396 740 HB2 GLU 103 HB2 GLU 103 11.416 -10.734 -18.835 741 HB3 GLU 103 HB3 GLU 103 10.281 -10.979 -20.167 742 HG2 GLU 103 HG2 GLU 103 11.976 -10.188 -21.774 743 HG3 GLU 103 HG3 GLU 103 13.105 -9.885 -20.456 744 H ARG 104 H ARG 104 9.324 -10.076 -21.589 745 HA ARG 104 HA ARG 104 9.772 -8.040 -23.625 746 HB2 ARG 104 HB2 ARG 104 8.502 -10.774 -23.739 747 HB3 ARG 104 HB3 ARG 104 8.673 -9.698 -25.129 748 HG2 ARG 104 HG2 ARG 104 11.154 -9.612 -24.646 749 HG3 ARG 104 HG3 ARG 104 10.897 -10.889 -23.453 750 HD2 ARG 104 HD2 ARG 104 10.158 -11.095 -26.386 751 HD3 ARG 104 HD3 ARG 104 11.611 -11.783 -25.668 752 HE ARG 104 HE ARG 104 8.874 -12.768 -25.364 753 HH11 ARG 104 HH11 ARG 104 12.191 -12.933 -24.206 754 HH12 ARG 104 HH12 ARG 104 11.979 -14.479 -23.457 755 HH21 ARG 104 HH21 ARG 104 8.644 -14.787 -24.375 756 HH22 ARG 104 HH22 ARG 104 9.981 -15.523 -23.553 757 H GLU 105 H GLU 105 7.510 -8.291 -21.242 758 HA GLU 105 HA GLU 105 5.333 -7.272 -22.968 759 HB2 GLU 105 HB2 GLU 105 5.111 -8.579 -20.253 760 HB3 GLU 105 HB3 GLU 105 3.767 -8.017 -21.246 761 HG2 GLU 105 HG2 GLU 105 4.567 -9.579 -23.072 762 HG3 GLU 105 HG3 GLU 105 5.720 -10.233 -21.915 763 H SER 106 H SER 106 4.377 -5.365 -22.537 764 HA SER 106 HA SER 106 5.752 -3.574 -20.720 765 HB2 SER 106 HB2 SER 106 4.446 -1.816 -21.747 766 HB3 SER 106 HB3 SER 106 5.086 -2.868 -23.009 767 HG SER 106 HG SER 106 2.515 -2.332 -22.300 768 H ASP 107 H ASP 107 4.469 -2.088 -19.327 769 HA ASP 107 HA ASP 107 2.615 -3.625 -17.674 770 HB2 ASP 107 HB2 ASP 107 4.437 -2.371 -16.586 771 HB3 ASP 107 HB3 ASP 107 3.799 -0.867 -17.258 772 H VAL 108 H VAL 108 0.508 -3.573 -18.133 773 HA VAL 108 HA VAL 108 -0.610 -1.189 -19.463 774 HB VAL 108 HB VAL 108 -1.769 -3.982 -19.139 775 HG11 VAL 108 HG11 VAL 108 -3.377 -3.142 -20.924 776 HG12 VAL 108 HG12 VAL 108 -2.766 -1.517 -20.611 777 HG13 VAL 108 HG13 VAL 108 -3.593 -2.411 -19.333 778 HG21 VAL 108 HG21 VAL 108 0.237 -3.740 -20.670 779 HG22 VAL 108 HG22 VAL 108 -0.703 -2.598 -21.628 780 HG23 VAL 108 HG23 VAL 108 -1.231 -4.275 -21.490 781 HA PRO 109 HA PRO 109 -2.602 -0.542 -15.315 782 HB2 PRO 109 HB2 PRO 109 -2.657 2.093 -15.277 783 HB3 PRO 109 HB3 PRO 109 -1.096 1.244 -15.152 784 HG2 PRO 109 HG2 PRO 109 -2.322 2.582 -17.521 785 HG3 PRO 109 HG3 PRO 109 -0.644 2.630 -16.945 786 HD2 PRO 109 HD2 PRO 109 -1.567 0.959 -18.975 787 HD3 PRO 109 HD3 PRO 109 -0.089 0.680 -18.022 788 H LEU 110 H LEU 110 -4.646 -0.107 -14.717 789 HA LEU 110 HA LEU 110 -6.725 -0.089 -16.680 790 HB2 LEU 110 HB2 LEU 110 -6.616 -0.013 -13.676 791 HB3 LEU 110 HB3 LEU 110 -8.143 0.257 -14.509 792 HG LEU 110 HG LEU 110 -7.858 -2.104 -13.837 793 HD11 LEU 110 HD11 LEU 110 -9.055 -1.403 -16.011 794 HD12 LEU 110 HD12 LEU 110 -8.621 -3.102 -15.835 795 HD13 LEU 110 HD13 LEU 110 -7.641 -2.044 -16.845 796 HD21 LEU 110 HD21 LEU 110 -6.175 -3.544 -14.892 797 HD22 LEU 110 HD22 LEU 110 -5.392 -2.249 -13.990 798 HD23 LEU 110 HD23 LEU 110 -5.505 -2.159 -15.744 799 H LYS 111 H LYS 111 -8.224 1.527 -17.153 800 HA LYS 111 HA LYS 111 -7.287 4.222 -17.078 801 HB2 LYS 111 HB2 LYS 111 -8.681 3.208 -18.909 802 HB3 LYS 111 HB3 LYS 111 -10.053 3.223 -17.798 803 HG2 LYS 111 HG2 LYS 111 -9.980 5.624 -17.618 804 HG3 LYS 111 HG3 LYS 111 -8.467 5.704 -18.544 805 HD2 LYS 111 HD2 LYS 111 -9.682 4.704 -20.494 806 HD3 LYS 111 HD3 LYS 111 -11.175 4.778 -19.562 807 HE2 LYS 111 HE2 LYS 111 -10.932 7.239 -19.365 808 HE3 LYS 111 HE3 LYS 111 -9.438 7.153 -20.292 809 HZ1 LYS 111 HZ1 LYS 111 -10.597 6.407 -22.186 810 HZ2 LYS 111 HZ2 LYS 111 -11.463 7.742 -21.585 811 HZ3 LYS 111 HZ3 LYS 111 -12.033 6.164 -21.318 812 H THR 112 H THR 112 -7.618 5.764 -15.598 813 HA THR 112 HA THR 112 -8.732 5.271 -13.075 814 HB THR 112 HB THR 112 -7.097 7.049 -13.419 815 HG1 THR 112 HG1 THR 112 -7.987 8.320 -11.963 816 HG21 THR 112 HG21 THR 112 -7.630 9.105 -14.580 817 HG22 THR 112 HG22 THR 112 -9.287 8.570 -14.867 818 HG23 THR 112 HG23 THR 112 -7.944 7.761 -15.677 819 H GLU 113 H GLU 113 -10.198 6.559 -15.975 820 HA GLU 113 HA GLU 113 -12.616 7.491 -14.783 821 HB2 GLU 113 HB2 GLU 113 -11.918 6.733 -17.600 822 HB3 GLU 113 HB3 GLU 113 -13.483 7.389 -17.126 823 HG2 GLU 113 HG2 GLU 113 -12.324 9.376 -16.162 824 HG3 GLU 113 HG3 GLU 113 -10.788 8.729 -16.732 825 H GLU 114 H GLU 114 -11.490 4.362 -15.161 826 HA GLU 114 HA GLU 114 -13.765 2.905 -15.944 827 HB2 GLU 114 HB2 GLU 114 -11.476 1.963 -15.820 828 HB3 GLU 114 HB3 GLU 114 -11.530 2.089 -14.060 829 HG2 GLU 114 HG2 GLU 114 -13.482 0.558 -14.022 830 HG3 GLU 114 HG3 GLU 114 -13.409 0.429 -15.776 831 H PHE 115 H PHE 115 -12.712 4.201 -12.841 832 HA PHE 115 HA PHE 115 -15.381 3.817 -11.727 833 HB2 PHE 115 HB2 PHE 115 -14.604 2.631 -9.720 834 HB3 PHE 115 HB3 PHE 115 -14.289 1.689 -11.177 835 HD1 PHE 115 HD1 PHE 115 -12.777 3.649 -8.455 836 HD2 PHE 115 HD2 PHE 115 -12.002 1.388 -12.022 837 HE1 PHE 115 HE1 PHE 115 -10.369 3.567 -7.878 838 HE2 PHE 115 HE2 PHE 115 -9.592 1.303 -11.446 839 HZ PHE 115 HZ PHE 115 -8.775 2.394 -9.373 840 H GLU 116 H GLU 116 -15.662 4.864 -9.645 841 HA GLU 116 HA GLU 116 -13.905 7.223 -9.329 842 HB2 GLU 116 HB2 GLU 116 -16.125 7.782 -10.187 843 HB3 GLU 116 HB3 GLU 116 -16.890 6.949 -8.831 844 HG2 GLU 116 HG2 GLU 116 -16.859 9.351 -8.378 845 HG3 GLU 116 HG3 GLU 116 -15.754 8.545 -7.271 846 H VAL 117 H VAL 117 -13.062 7.647 -7.344 847 HA VAL 117 HA VAL 117 -13.999 6.016 -5.057 848 HB VAL 117 HB VAL 117 -11.667 5.916 -4.242 849 HG11 VAL 117 HG11 VAL 117 -10.894 4.234 -5.820 850 HG12 VAL 117 HG12 VAL 117 -11.962 4.871 -7.070 851 HG13 VAL 117 HG13 VAL 117 -12.643 4.100 -5.638 852 HG21 VAL 117 HG21 VAL 117 -11.065 7.252 -6.907 853 HG22 VAL 117 HG22 VAL 117 -9.842 6.474 -5.903 854 HG23 VAL 117 HG23 VAL 117 -10.707 7.887 -5.300 855 H THR 118 H THR 118 -13.978 6.934 -3.038 856 HA THR 118 HA THR 118 -13.319 9.787 -2.779 857 HB THR 118 HB THR 118 -15.934 8.662 -1.771 858 HG1 THR 118 HG1 THR 118 -16.847 9.725 -3.548 859 HG21 THR 118 HG21 THR 118 -14.744 11.427 -2.010 860 HG22 THR 118 HG22 THR 118 -15.238 10.589 -0.539 861 HG23 THR 118 HG23 THR 118 -16.454 11.140 -1.690 862 H LYS 119 H LYS 119 -13.127 10.486 -0.578 863 HA LYS 119 HA LYS 119 -11.591 8.779 1.010 864 HB2 LYS 119 HB2 LYS 119 -11.717 10.517 2.722 865 HB3 LYS 119 HB3 LYS 119 -11.492 11.245 1.130 866 HG2 LYS 119 HG2 LYS 119 -14.069 11.457 1.056 867 HG3 LYS 119 HG3 LYS 119 -14.026 11.106 2.777 868 HD2 LYS 119 HD2 LYS 119 -13.840 13.389 2.977 869 HD3 LYS 119 HD3 LYS 119 -12.129 13.081 2.711 870 HE2 LYS 119 HE2 LYS 119 -14.034 13.566 0.413 871 HE3 LYS 119 HE3 LYS 119 -13.248 14.897 1.262 872 HZ1 LYS 119 HZ1 LYS 119 -12.043 12.779 -0.391 873 HZ2 LYS 119 HZ2 LYS 119 -11.121 13.514 0.834 874 HZ3 LYS 119 HZ3 LYS 119 -11.769 14.451 -0.425 875 H THR 120 H THR 120 -15.050 9.037 0.810 876 HA THR 120 HA THR 120 -15.297 7.129 3.045 877 HB THR 120 HB THR 120 -15.721 9.384 3.915 878 HG1 THR 120 HG1 THR 120 -17.922 7.617 3.687 879 HG21 THR 120 HG21 THR 120 -16.543 10.424 1.846 880 HG22 THR 120 HG22 THR 120 -17.695 10.649 3.162 881 HG23 THR 120 HG23 THR 120 -18.002 9.437 1.919 882 H ALA 121 H ALA 121 -15.864 7.504 -0.148 883 HA ALA 121 HA ALA 121 -17.968 5.494 -0.165 884 HB1 ALA 121 HB1 ALA 121 -19.458 6.795 -1.652 885 HB2 ALA 121 HB2 ALA 121 -18.434 8.210 -1.407 886 HB3 ALA 121 HB3 ALA 121 -19.312 7.511 -0.046 887 H VAL 122 H VAL 122 -18.433 4.668 -2.346 888 HA VAL 122 HA VAL 122 -16.428 5.281 -4.391 889 HB VAL 122 HB VAL 122 -15.455 3.463 -3.010 890 HG11 VAL 122 HG11 VAL 122 -17.749 1.746 -3.950 891 HG12 VAL 122 HG12 VAL 122 -17.712 2.500 -2.356 892 HG13 VAL 122 HG13 VAL 122 -16.482 1.316 -2.801 893 HG21 VAL 122 HG21 VAL 122 -16.335 2.326 -5.676 894 HG22 VAL 122 HG22 VAL 122 -14.809 2.061 -4.830 895 HG23 VAL 122 HG23 VAL 122 -15.154 3.629 -5.550 896 H ALA 123 H ALA 123 -17.157 4.983 -6.494 897 HA ALA 123 HA ALA 123 -19.716 3.611 -6.933 898 HB1 ALA 123 HB1 ALA 123 -20.548 5.567 -8.265 899 HB2 ALA 123 HB2 ALA 123 -19.210 6.512 -7.611 900 HB3 ALA 123 HB3 ALA 123 -20.445 5.865 -6.530 901 H HIS 124 H HIS 124 -20.078 2.937 -9.050 902 HA HIS 124 HA HIS 124 -17.697 2.534 -10.621 903 HB2 HIS 124 HB2 HIS 124 -19.116 1.106 -12.035 904 HB3 HIS 124 HB3 HIS 124 -19.297 0.693 -10.332 905 HD2 HIS 124 HD2 HIS 124 -21.499 1.795 -13.299 906 HE1 HIS 124 HE1 HIS 124 -23.902 2.115 -9.842 907 HE2 HIS 124 HE2 HIS 124 -23.918 2.150 -12.381 908 H ARG 125 H ARG 125 -17.555 2.963 -12.891 909 HA ARG 125 HA ARG 125 -18.949 5.441 -13.709 910 HB2 ARG 125 HB2 ARG 125 -16.175 4.456 -14.397 911 HB3 ARG 125 HB3 ARG 125 -16.905 5.903 -15.077 912 HG2 ARG 125 HG2 ARG 125 -16.868 5.688 -12.063 913 HG3 ARG 125 HG3 ARG 125 -15.335 5.993 -12.873 914 HD2 ARG 125 HD2 ARG 125 -16.512 8.095 -12.214 915 HD3 ARG 125 HD3 ARG 125 -16.223 7.986 -13.948 916 HE ARG 125 HE ARG 125 -18.531 7.904 -14.277 917 HH11 ARG 125 HH11 ARG 125 -17.861 7.306 -10.882 918 HH12 ARG 125 HH12 ARG 125 -19.523 7.415 -10.408 919 HH21 ARG 125 HH21 ARG 125 -20.687 8.053 -13.615 920 HH22 ARG 125 HH22 ARG 125 -21.113 7.833 -11.950 921 HA PRO 126 HA PRO 126 -20.553 3.294 -17.301 922 HB2 PRO 126 HB2 PRO 126 -20.216 5.107 -19.335 923 HB3 PRO 126 HB3 PRO 126 -21.494 5.245 -18.107 924 HG2 PRO 126 HG2 PRO 126 -18.841 6.610 -18.226 925 HG3 PRO 126 HG3 PRO 126 -20.436 7.282 -17.825 926 HD2 PRO 126 HD2 PRO 126 -18.685 6.679 -15.883 927 HD3 PRO 126 HD3 PRO 126 -20.429 6.383 -15.665 928 H GLY 127 H GLY 127 -19.814 1.971 -18.969 929 HA2 GLY 127 HA2 GLY 127 -18.317 1.026 -20.492 930 HA3 GLY 127 HA3 GLY 127 -17.205 2.359 -20.179 931 H ALA 128 H ALA 128 -18.369 0.879 -17.307 932 HA ALA 128 HA ALA 128 -15.891 0.133 -16.319 933 HB1 ALA 128 HB1 ALA 128 -17.055 -0.927 -14.532 934 HB2 ALA 128 HB2 ALA 128 -18.486 -1.194 -15.529 935 HB3 ALA 128 HB3 ALA 128 -18.054 0.439 -15.026 936 H PHE 129 H PHE 129 -14.800 -1.775 -16.106 937 HA PHE 129 HA PHE 129 -15.137 -3.669 -18.284 938 HB2 PHE 129 HB2 PHE 129 -13.038 -3.323 -16.149 939 HB3 PHE 129 HB3 PHE 129 -13.010 -4.637 -17.326 940 HD1 PHE 129 HD1 PHE 129 -12.758 -0.981 -16.893 941 HD2 PHE 129 HD2 PHE 129 -12.548 -4.238 -19.674 942 HE1 PHE 129 HE1 PHE 129 -11.743 0.532 -18.581 943 HE2 PHE 129 HE2 PHE 129 -11.534 -2.734 -21.364 944 HZ PHE 129 HZ PHE 129 -11.130 -0.349 -20.819 945 H LYS 130 H LYS 130 -15.452 -5.864 -18.122 946 HA LYS 130 HA LYS 130 -16.363 -6.875 -15.493 947 HB2 LYS 130 HB2 LYS 130 -17.480 -7.549 -18.227 948 HB3 LYS 130 HB3 LYS 130 -17.971 -8.313 -16.713 949 HG2 LYS 130 HG2 LYS 130 -18.661 -6.086 -15.840 950 HG3 LYS 130 HG3 LYS 130 -18.239 -5.370 -17.396 951 HD2 LYS 130 HD2 LYS 130 -20.256 -7.623 -17.101 952 HD3 LYS 130 HD3 LYS 130 -20.716 -5.923 -17.097 953 HE2 LYS 130 HE2 LYS 130 -19.208 -7.279 -19.367 954 HE3 LYS 130 HE3 LYS 130 -20.944 -6.993 -19.357 955 HZ1 LYS 130 HZ1 LYS 130 -20.667 -4.848 -19.842 956 HZ2 LYS 130 HZ2 LYS 130 -19.089 -5.272 -20.301 957 HZ3 LYS 130 HZ3 LYS 130 -19.385 -4.641 -18.754 958 H ALA 131 H ALA 131 -15.339 -7.993 -18.718 959 HA ALA 131 HA ALA 131 -14.430 -10.542 -17.833 960 HB1 ALA 131 HB1 ALA 131 -15.181 -9.923 -20.168 961 HB2 ALA 131 HB2 ALA 131 -13.710 -10.893 -20.064 962 HB3 ALA 131 HB3 ALA 131 -13.604 -9.161 -20.377 963 H GLU 132 H GLU 132 -12.909 -7.427 -17.918 964 HA GLU 132 HA GLU 132 -10.199 -8.372 -18.045 965 HB2 GLU 132 HB2 GLU 132 -10.930 -6.117 -18.836 966 HB3 GLU 132 HB3 GLU 132 -11.199 -5.661 -17.152 967 HG2 GLU 132 HG2 GLU 132 -8.982 -4.889 -17.850 968 HG3 GLU 132 HG3 GLU 132 -8.802 -6.172 -16.660 969 H LEU 133 H LEU 133 -8.793 -8.815 -16.468 970 HA LEU 133 HA LEU 133 -9.671 -8.511 -13.660 971 HB2 LEU 133 HB2 LEU 133 -8.373 -10.549 -13.143 972 HB3 LEU 133 HB3 LEU 133 -9.686 -10.879 -14.266 973 HG LEU 133 HG LEU 133 -6.991 -10.196 -15.463 974 HD11 LEU 133 HD11 LEU 133 -7.588 -12.991 -14.492 975 HD12 LEU 133 HD12 LEU 133 -6.582 -11.859 -13.595 976 HD13 LEU 133 HD13 LEU 133 -6.091 -12.386 -15.201 977 HD21 LEU 133 HD21 LEU 133 -7.710 -11.690 -17.215 978 HD22 LEU 133 HD22 LEU 133 -9.112 -10.705 -16.813 979 HD23 LEU 133 HD23 LEU 133 -8.991 -12.355 -16.209 980 H SER 134 H SER 134 -8.162 -7.725 -12.177 981 HA SER 134 HA SER 134 -5.400 -7.291 -12.903 982 HB2 SER 134 HB2 SER 134 -5.459 -4.894 -12.982 983 HB3 SER 134 HB3 SER 134 -6.617 -5.524 -14.132 984 HG SER 134 HG SER 134 -7.110 -4.500 -11.540 985 H LYS 135 H LYS 135 -4.412 -5.636 -11.291 986 HA LYS 135 HA LYS 135 -5.519 -6.194 -8.641 987 HB2 LYS 135 HB2 LYS 135 -3.196 -6.028 -7.753 988 HB3 LYS 135 HB3 LYS 135 -3.385 -7.376 -8.871 989 HG2 LYS 135 HG2 LYS 135 -2.435 -5.952 -10.685 990 HG3 LYS 135 HG3 LYS 135 -2.211 -4.650 -9.515 991 HD2 LYS 135 HD2 LYS 135 -0.686 -6.039 -8.202 992 HD3 LYS 135 HD3 LYS 135 -0.974 -7.412 -9.276 993 HE2 LYS 135 HE2 LYS 135 1.134 -6.360 -9.893 994 HE3 LYS 135 HE3 LYS 135 -0.046 -6.070 -11.172 995 HZ1 LYS 135 HZ1 LYS 135 1.235 -4.197 -9.380 996 HZ2 LYS 135 HZ2 LYS 135 -0.432 -3.945 -9.562 997 HZ3 LYS 135 HZ3 LYS 135 0.585 -3.947 -10.922 998 H LEU 136 H LEU 136 -5.282 -4.546 -7.032 999 HA LEU 136 HA LEU 136 -5.186 -1.834 -8.208 1000 HB2 LEU 136 HB2 LEU 136 -6.741 -2.935 -5.869 1001 HB3 LEU 136 HB3 LEU 136 -6.597 -1.207 -6.190 1002 HG LEU 136 HG LEU 136 -7.582 -3.149 -8.289 1003 HD11 LEU 136 HD11 LEU 136 -8.986 -3.139 -6.136 1004 HD12 LEU 136 HD12 LEU 136 -9.841 -2.714 -7.618 1005 HD13 LEU 136 HD13 LEU 136 -9.340 -1.449 -6.496 1006 HD21 LEU 136 HD21 LEU 136 -8.279 -1.210 -9.462 1007 HD22 LEU 136 HD22 LEU 136 -6.756 -0.676 -8.765 1008 HD23 LEU 136 HD23 LEU 136 -8.272 -0.204 -8.018 1009 H VAL 137 H VAL 137 -4.253 -0.134 -7.128 1010 HA VAL 137 HA VAL 137 -2.655 -0.688 -4.744 1011 HB VAL 137 HB VAL 137 -1.146 -0.986 -6.708 1012 HG11 VAL 137 HG11 VAL 137 -2.263 0.536 -8.281 1013 HG12 VAL 137 HG12 VAL 137 -0.560 0.957 -8.104 1014 HG13 VAL 137 HG13 VAL 137 -1.790 1.920 -7.295 1015 HG21 VAL 137 HG21 VAL 137 0.636 0.413 -5.873 1016 HG22 VAL 137 HG22 VAL 137 -0.372 -0.022 -4.492 1017 HG23 VAL 137 HG23 VAL 137 -0.513 1.580 -5.216 1018 H ILE 138 H ILE 138 -2.994 0.846 -3.273 1019 HA ILE 138 HA ILE 138 -4.024 3.485 -4.152 1020 HB ILE 138 HB ILE 138 -4.912 1.951 -1.684 1021 HG12 ILE 138 HG12 ILE 138 -7.167 2.003 -3.094 1022 HG13 ILE 138 HG13 ILE 138 -6.075 2.168 -4.473 1023 HG21 ILE 138 HG21 ILE 138 -5.132 4.308 -1.297 1024 HG22 ILE 138 HG22 ILE 138 -6.743 3.730 -1.722 1025 HG23 ILE 138 HG23 ILE 138 -5.769 4.584 -2.919 1026 HD11 ILE 138 HD11 ILE 138 -5.181 0.032 -4.160 1027 HD12 ILE 138 HD12 ILE 138 -6.845 -0.217 -3.647 1028 HD13 ILE 138 HD13 ILE 138 -5.579 -0.004 -2.442 1029 H VAL 139 H VAL 139 -3.007 5.217 -3.389 1030 HA VAL 139 HA VAL 139 -1.309 4.943 -0.966 1031 HB VAL 139 HB VAL 139 -0.827 6.762 -3.368 1032 HG11 VAL 139 HG11 VAL 139 -0.078 7.816 -1.292 1033 HG12 VAL 139 HG12 VAL 139 1.328 7.267 -2.205 1034 HG13 VAL 139 HG13 VAL 139 0.765 6.340 -0.816 1035 HG21 VAL 139 HG21 VAL 139 1.255 5.345 -3.610 1036 HG22 VAL 139 HG22 VAL 139 -0.244 4.475 -3.935 1037 HG23 VAL 139 HG23 VAL 139 0.586 4.256 -2.395 1038 H ALA 140 H ALA 140 -2.113 6.080 0.684 1039 HA ALA 140 HA ALA 140 -3.661 8.534 0.134 1040 HB1 ALA 140 HB1 ALA 140 -5.084 7.763 2.159 1041 HB2 ALA 140 HB2 ALA 140 -4.439 6.162 1.803 1042 HB3 ALA 140 HB3 ALA 140 -5.386 7.018 0.590 1043 H LYS 141 H LYS 141 -3.500 10.169 1.564 1044 HA LYS 141 HA LYS 141 -1.398 9.943 3.614 1045 HB2 LYS 141 HB2 LYS 141 -1.378 11.657 1.617 1046 HB3 LYS 141 HB3 LYS 141 -2.543 12.530 2.603 1047 HG2 LYS 141 HG2 LYS 141 -0.927 12.460 4.523 1048 HG3 LYS 141 HG3 LYS 141 0.253 11.722 3.433 1049 HD2 LYS 141 HD2 LYS 141 0.771 14.041 3.422 1050 HD3 LYS 141 HD3 LYS 141 -0.094 13.754 1.912 1051 HE2 LYS 141 HE2 LYS 141 -2.172 14.581 2.907 1052 HE3 LYS 141 HE3 LYS 141 -1.373 14.789 4.465 1053 HZ1 LYS 141 HZ1 LYS 141 0.095 16.410 3.484 1054 HZ2 LYS 141 HZ2 LYS 141 -1.520 16.866 3.208 1055 HZ3 LYS 141 HZ3 LYS 141 -0.600 16.175 1.955 1056 H ALA 142 H ALA 142 -1.895 10.391 5.756 1057 HA ALA 142 HA ALA 142 -4.645 10.434 6.556 1058 HB1 ALA 142 HB1 ALA 142 -3.693 10.822 8.842 1059 HB2 ALA 142 HB2 ALA 142 -2.092 10.909 8.109 1060 HB3 ALA 142 HB3 ALA 142 -3.021 9.414 8.022 1061 H SER 143 H SER 143 -5.915 12.159 6.266 1062 HA SER 143 HA SER 143 -5.224 14.714 7.393 1063 HB2 SER 143 HB2 SER 143 -3.993 14.906 5.294 1064 HB3 SER 143 HB3 SER 143 -5.438 14.481 4.388 1065 HG SER 143 HG SER 143 -4.708 16.858 5.020 1066 H ARG 144 H ARG 144 -6.974 16.162 7.509 1067 HA ARG 144 HA ARG 144 -9.169 16.753 7.771 1068 HB2 ARG 144 HB2 ARG 144 -8.865 16.639 5.205 1069 HB3 ARG 144 HB3 ARG 144 -9.775 15.129 5.297 1070 HG2 ARG 144 HG2 ARG 144 -11.633 16.341 6.424 1071 HG3 ARG 144 HG3 ARG 144 -10.723 17.843 6.274 1072 HD2 ARG 144 HD2 ARG 144 -10.700 17.572 3.815 1073 HD3 ARG 144 HD3 ARG 144 -11.649 16.097 3.980 1074 HE ARG 144 HE ARG 144 -13.541 17.403 4.408 1075 HH11 ARG 144 HH11 ARG 144 -10.672 19.428 4.482 1076 HH12 ARG 144 HH12 ARG 144 -11.568 20.909 4.544 1077 HH21 ARG 144 HH21 ARG 144 -14.674 19.362 4.511 1078 HH22 ARG 144 HH22 ARG 144 -13.820 20.868 4.560 1079 H THR 145 H THR 145 -8.339 14.378 9.182 1080 HA THR 145 HA THR 145 -10.939 13.083 9.482 1081 HB THR 145 HB THR 145 -9.830 10.910 9.839 1082 HG1 THR 145 HG1 THR 145 -7.522 12.271 8.918 1083 HG21 THR 145 HG21 THR 145 -10.670 11.123 7.651 1084 HG22 THR 145 HG22 THR 145 -8.995 10.640 7.401 1085 HG23 THR 145 HG23 THR 145 -9.459 12.323 7.197 1086 H GLU 146 H GLU 146 -11.244 12.192 11.552 1087 HA GLU 146 HA GLU 146 -9.434 12.612 13.711 1088 HB2 GLU 146 HB2 GLU 146 -10.401 14.954 13.036 1089 HB3 GLU 146 HB3 GLU 146 -11.847 14.403 13.876 1090 HG2 GLU 146 HG2 GLU 146 -10.613 14.048 15.934 1091 HG3 GLU 146 HG3 GLU 146 -9.085 14.402 15.129 1092 H LEU 147 H LEU 147 -12.971 12.892 13.416 1093 HA LEU 147 HA LEU 147 -14.662 11.783 14.492 1094 HB2 LEU 147 HB2 LEU 147 -12.972 9.451 13.552 1095 HB3 LEU 147 HB3 LEU 147 -14.675 9.360 13.995 1096 HG LEU 147 HG LEU 147 -13.610 11.188 11.811 1097 HD11 LEU 147 HD11 LEU 147 -14.606 9.485 10.248 1098 HD12 LEU 147 HD12 LEU 147 -14.863 8.419 11.630 1099 HD13 LEU 147 HD13 LEU 147 -13.225 8.865 11.152 1100 HD21 LEU 147 HD21 LEU 147 -16.056 11.162 11.135 1101 HD22 LEU 147 HD22 LEU 147 -15.768 11.912 12.704 1102 HD23 LEU 147 HD23 LEU 147 -16.405 10.270 12.618 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 19.255 7.545 19.901 2 H2 GLY 1 HT2 GLY 1 20.638 8.313 20.521 3 H3 GLY 1 HT3 GLY 1 20.766 7.279 19.178 4 HA2 GLY 1 HA2 GLY 1 19.691 10.013 19.332 5 HA3 GLY 1 HA3 GLY 1 20.824 9.329 18.165 6 H SER 2 H SER 2 18.632 10.759 17.287 7 HA SER 2 HA SER 2 16.913 10.691 15.778 8 HB2 SER 2 HB2 SER 2 17.855 7.834 15.434 9 HB3 SER 2 HB3 SER 2 16.644 8.609 14.421 10 HG SER 2 HG SER 2 18.979 8.667 13.764 11 H LYS 3 H LYS 3 14.791 10.700 16.129 12 HA LYS 3 HA LYS 3 13.636 8.627 17.908 13 HB2 LYS 3 HB2 LYS 3 12.832 11.545 17.701 14 HB3 LYS 3 HB3 LYS 3 12.077 10.340 18.744 15 HG2 LYS 3 HG2 LYS 3 15.025 11.055 18.910 16 HG3 LYS 3 HG3 LYS 3 13.790 11.849 19.886 17 HD2 LYS 3 HD2 LYS 3 14.183 8.835 19.881 18 HD3 LYS 3 HD3 LYS 3 14.996 9.906 21.016 19 HE2 LYS 3 HE2 LYS 3 12.757 10.778 21.727 20 HE3 LYS 3 HE3 LYS 3 12.000 9.570 20.691 21 HZ1 LYS 3 HZ1 LYS 3 12.199 8.842 23.010 22 HZ2 LYS 3 HZ2 LYS 3 13.891 8.962 22.897 23 HZ3 LYS 3 HZ3 LYS 3 13.049 7.831 21.948 24 H GLY 4 H GLY 4 11.754 7.681 17.327 25 HA2 GLY 4 HA2 GLY 4 9.733 8.534 15.685 26 HA3 GLY 4 HA3 GLY 4 10.918 7.843 14.580 27 H THR 5 H THR 5 8.616 6.586 14.487 28 HA THR 5 HA THR 5 9.208 3.980 15.613 29 HB THR 5 HB THR 5 7.916 4.987 17.438 30 HG1 THR 5 HG1 THR 5 6.244 3.201 16.030 31 HG21 THR 5 HG21 THR 5 5.715 5.855 17.170 32 HG22 THR 5 HG22 THR 5 5.591 5.237 15.523 33 HG23 THR 5 HG23 THR 5 6.666 6.590 15.877 34 H VAL 6 H VAL 6 8.135 2.259 14.577 35 HA VAL 6 HA VAL 6 6.484 2.965 12.234 36 HB VAL 6 HB VAL 6 7.671 1.258 10.884 37 HG11 VAL 6 HG11 VAL 6 9.797 2.556 10.608 38 HG12 VAL 6 HG12 VAL 6 9.384 3.459 12.066 39 HG13 VAL 6 HG13 VAL 6 8.354 3.570 10.637 40 HG21 VAL 6 HG21 VAL 6 9.472 1.131 13.332 41 HG22 VAL 6 HG22 VAL 6 9.936 0.499 11.752 42 HG23 VAL 6 HG23 VAL 6 8.563 -0.198 12.612 43 H SER 7 H SER 7 5.022 1.360 11.532 44 HA SER 7 HA SER 7 4.309 -0.578 13.636 45 HB2 SER 7 HB2 SER 7 2.657 0.583 11.391 46 HB3 SER 7 HB3 SER 7 2.087 -0.623 12.538 47 HG SER 7 HG SER 7 2.665 0.916 14.200 48 H GLU 8 H GLU 8 5.873 -0.550 10.653 49 HA GLU 8 HA GLU 8 6.495 -2.162 9.159 50 HB2 GLU 8 HB2 GLU 8 5.583 -3.938 11.433 51 HB3 GLU 8 HB3 GLU 8 6.265 -4.580 9.937 52 HG2 GLU 8 HG2 GLU 8 8.311 -3.254 10.285 53 HG3 GLU 8 HG3 GLU 8 7.636 -2.590 11.772 54 HA PRO 9 HA PRO 9 2.793 -2.952 6.791 55 HB2 PRO 9 HB2 PRO 9 3.632 -4.740 4.939 56 HB3 PRO 9 HB3 PRO 9 4.140 -3.036 4.920 57 HG2 PRO 9 HG2 PRO 9 5.605 -5.424 5.952 58 HG3 PRO 9 HG3 PRO 9 6.201 -4.083 4.955 59 HD2 PRO 9 HD2 PRO 9 6.641 -4.169 7.629 60 HD3 PRO 9 HD3 PRO 9 6.400 -2.632 6.763 61 H THR 10 H THR 10 1.090 -4.402 6.567 62 HA THR 10 HA THR 10 1.377 -7.017 7.934 63 HB THR 10 HB THR 10 -1.019 -5.150 7.989 64 HG1 THR 10 HG1 THR 10 0.985 -5.818 9.874 65 HG21 THR 10 HG21 THR 10 -0.487 -7.883 9.169 66 HG22 THR 10 HG22 THR 10 -1.846 -7.380 8.165 67 HG23 THR 10 HG23 THR 10 -1.720 -6.807 9.829 68 H THR 11 H THR 11 0.657 -8.776 6.837 69 HA THR 11 HA THR 11 -0.667 -8.306 4.237 70 HB THR 11 HB THR 11 1.066 -10.646 5.105 71 HG1 THR 11 HG1 THR 11 1.577 -8.602 3.212 72 HG21 THR 11 HG21 THR 11 0.923 -11.401 2.815 73 HG22 THR 11 HG22 THR 11 0.037 -9.953 2.337 74 HG23 THR 11 HG23 THR 11 -0.728 -11.149 3.384 75 H VAL 12 H VAL 12 -2.677 -8.997 3.954 76 HA VAL 12 HA VAL 12 -3.703 -11.191 5.635 77 HB VAL 12 HB VAL 12 -5.197 -8.626 4.973 78 HG11 VAL 12 HG11 VAL 12 -6.039 -11.108 6.510 79 HG12 VAL 12 HG12 VAL 12 -6.753 -10.495 5.018 80 HG13 VAL 12 HG13 VAL 12 -6.937 -9.589 6.520 81 HG21 VAL 12 HG21 VAL 12 -5.182 -8.527 7.590 82 HG22 VAL 12 HG22 VAL 12 -3.705 -8.087 6.737 83 HG23 VAL 12 HG23 VAL 12 -3.853 -9.679 7.476 84 H ALA 13 H ALA 13 -4.765 -12.745 4.558 85 HA ALA 13 HA ALA 13 -5.234 -12.377 1.667 86 HB1 ALA 13 HB1 ALA 13 -5.269 -15.022 3.095 87 HB2 ALA 13 HB2 ALA 13 -3.746 -14.268 2.625 88 HB3 ALA 13 HB3 ALA 13 -4.940 -14.688 1.396 89 H PHE 14 H PHE 14 -7.229 -13.055 0.704 90 HA PHE 14 HA PHE 14 -9.397 -13.781 2.523 91 HB2 PHE 14 HB2 PHE 14 -10.894 -12.028 1.760 92 HB3 PHE 14 HB3 PHE 14 -9.435 -11.296 2.415 93 HD1 PHE 14 HD1 PHE 14 -11.480 -11.817 -0.573 94 HD2 PHE 14 HD2 PHE 14 -7.718 -10.326 0.866 95 HE1 PHE 14 HE1 PHE 14 -11.141 -10.602 -2.710 96 HE2 PHE 14 HE2 PHE 14 -7.387 -9.116 -1.279 97 HZ PHE 14 HZ PHE 14 -9.091 -9.248 -3.056 98 H ASP 15 H ASP 15 -11.345 -14.517 1.421 99 HA ASP 15 HA ASP 15 -10.632 -15.935 -1.040 100 HB2 ASP 15 HB2 ASP 15 -12.947 -16.412 0.849 101 HB3 ASP 15 HB3 ASP 15 -12.484 -17.430 -0.513 102 H VAL 16 H VAL 16 -11.493 -15.426 -2.960 103 HA VAL 16 HA VAL 16 -13.757 -13.533 -3.035 104 HB VAL 16 HB VAL 16 -11.909 -14.495 -5.260 105 HG11 VAL 16 HG11 VAL 16 -14.211 -12.528 -5.221 106 HG12 VAL 16 HG12 VAL 16 -14.002 -13.924 -6.271 107 HG13 VAL 16 HG13 VAL 16 -12.979 -12.503 -6.483 108 HG21 VAL 16 HG21 VAL 16 -10.861 -12.994 -3.544 109 HG22 VAL 16 HG22 VAL 16 -12.106 -11.792 -3.889 110 HG23 VAL 16 HG23 VAL 16 -10.951 -12.246 -5.139 111 H ARG 17 H ARG 17 -15.657 -14.480 -2.971 112 HA ARG 17 HA ARG 17 -16.001 -17.113 -4.239 113 HB2 ARG 17 HB2 ARG 17 -17.537 -15.816 -1.982 114 HB3 ARG 17 HB3 ARG 17 -17.926 -17.385 -2.693 115 HG2 ARG 17 HG2 ARG 17 -15.780 -18.301 -2.033 116 HG3 ARG 17 HG3 ARG 17 -15.212 -16.712 -1.504 117 HD2 ARG 17 HD2 ARG 17 -15.898 -18.048 0.431 118 HD3 ARG 17 HD3 ARG 17 -16.971 -16.666 0.233 119 HE ARG 17 HE ARG 17 -17.976 -18.993 -1.128 120 HH11 ARG 17 HH11 ARG 17 -17.740 -17.526 2.056 121 HH12 ARG 17 HH12 ARG 17 -19.122 -18.365 2.677 122 HH21 ARG 17 HH21 ARG 17 -19.758 -20.081 -0.273 123 HH22 ARG 17 HH22 ARG 17 -20.256 -19.806 1.362 124 HA PRO 18 HA PRO 18 -18.598 -14.600 -7.087 125 HB2 PRO 18 HB2 PRO 18 -18.864 -16.358 -9.060 126 HB3 PRO 18 HB3 PRO 18 -17.319 -15.531 -8.780 127 HG2 PRO 18 HG2 PRO 18 -18.159 -18.274 -7.933 128 HG3 PRO 18 HG3 PRO 18 -16.655 -17.771 -8.726 129 HD2 PRO 18 HD2 PRO 18 -16.790 -18.162 -6.052 130 HD3 PRO 18 HD3 PRO 18 -15.744 -16.908 -6.765 131 H GLY 19 H GLY 19 -20.748 -14.964 -8.178 132 HA2 GLY 19 HA2 GLY 19 -22.589 -16.847 -8.146 133 HA3 GLY 19 HA3 GLY 19 -22.538 -16.503 -6.420 134 H GLY 20 H GLY 20 -22.000 -13.824 -8.582 135 HA2 GLY 20 HA2 GLY 20 -23.269 -12.021 -9.214 136 HA3 GLY 20 HA3 GLY 20 -24.700 -13.017 -8.972 137 H VAL 21 H VAL 21 -22.400 -12.541 -6.376 138 HA VAL 21 HA VAL 21 -24.330 -10.771 -4.988 139 HB VAL 21 HB VAL 21 -22.486 -12.853 -3.767 140 HG11 VAL 21 HG11 VAL 21 -22.778 -11.012 -2.221 141 HG12 VAL 21 HG12 VAL 21 -23.802 -12.339 -1.673 142 HG13 VAL 21 HG13 VAL 21 -24.515 -10.969 -2.525 143 HG21 VAL 21 HG21 VAL 21 -24.344 -13.954 -4.872 144 HG22 VAL 21 HG22 VAL 21 -25.491 -12.795 -4.203 145 HG23 VAL 21 HG23 VAL 21 -24.684 -13.949 -3.140 146 H VAL 22 H VAL 22 -23.621 -8.876 -4.357 147 HA VAL 22 HA VAL 22 -20.900 -8.067 -4.904 148 HB VAL 22 HB VAL 22 -23.190 -6.540 -3.602 149 HG11 VAL 22 HG11 VAL 22 -21.059 -5.512 -3.026 150 HG12 VAL 22 HG12 VAL 22 -21.847 -4.521 -4.254 151 HG13 VAL 22 HG13 VAL 22 -20.521 -5.594 -4.705 152 HG21 VAL 22 HG21 VAL 22 -22.152 -6.260 -6.437 153 HG22 VAL 22 HG22 VAL 22 -23.655 -5.627 -5.764 154 HG23 VAL 22 HG23 VAL 22 -23.468 -7.360 -6.027 155 H HIS 23 H HIS 23 -19.293 -8.354 -3.577 156 HA HIS 23 HA HIS 23 -19.823 -8.622 -0.676 157 HB2 HIS 23 HB2 HIS 23 -17.583 -9.825 -2.316 158 HB3 HIS 23 HB3 HIS 23 -17.766 -9.975 -0.571 159 HD2 HIS 23 HD2 HIS 23 -18.816 -11.868 -3.682 160 HE1 HIS 23 HE1 HIS 23 -21.590 -13.019 -0.721 161 HE2 HIS 23 HE2 HIS 23 -20.709 -13.549 -3.038 162 H SER 24 H SER 24 -18.722 -7.440 0.728 163 HA SER 24 HA SER 24 -16.663 -5.585 -0.307 164 HB2 SER 24 HB2 SER 24 -18.733 -5.063 1.839 165 HB3 SER 24 HB3 SER 24 -17.418 -3.973 1.403 166 HG SER 24 HG SER 24 -18.525 -3.382 -0.289 167 H PHE 25 H PHE 25 -14.776 -5.611 0.683 168 HA PHE 25 HA PHE 25 -14.534 -6.800 3.374 169 HB2 PHE 25 HB2 PHE 25 -13.892 -8.476 1.601 170 HB3 PHE 25 HB3 PHE 25 -12.596 -7.376 1.116 171 HD1 PHE 25 HD1 PHE 25 -13.864 -9.556 3.818 172 HD2 PHE 25 HD2 PHE 25 -10.636 -7.037 2.523 173 HE1 PHE 25 HE1 PHE 25 -12.441 -10.437 5.649 174 HE2 PHE 25 HE2 PHE 25 -9.217 -7.922 4.359 175 HZ PHE 25 HZ PHE 25 -10.119 -9.619 5.915 176 H SER 26 H SER 26 -13.132 -5.751 4.723 177 HA SER 26 HA SER 26 -11.429 -3.639 3.573 178 HB2 SER 26 HB2 SER 26 -12.190 -2.034 5.230 179 HB3 SER 26 HB3 SER 26 -13.560 -2.633 4.303 180 HG SER 26 HG SER 26 -13.650 -2.567 6.741 181 H HIS 27 H HIS 27 -9.894 -2.721 5.181 182 HA HIS 27 HA HIS 27 -9.127 -4.540 7.348 183 HB2 HIS 27 HB2 HIS 27 -7.978 -5.303 5.241 184 HB3 HIS 27 HB3 HIS 27 -7.166 -3.737 5.187 185 HD2 HIS 27 HD2 HIS 27 -6.972 -7.090 7.185 186 HE1 HIS 27 HE1 HIS 27 -3.960 -4.540 8.682 187 HE2 HIS 27 HE2 HIS 27 -4.885 -6.904 8.740 188 H ASN 28 H ASN 28 -7.903 -3.594 8.953 189 HA ASN 28 HA ASN 28 -7.053 -0.808 8.688 190 HB2 ASN 28 HB2 ASN 28 -8.272 -0.103 10.689 191 HB3 ASN 28 HB3 ASN 28 -9.394 -0.664 9.448 192 HD21 ASN 28 HD21 ASN 28 -9.427 -0.685 12.584 193 HD22 ASN 28 HD22 ASN 28 -9.891 -2.277 12.947 194 H VAL 29 H VAL 29 -5.896 -0.069 10.701 195 HA VAL 29 HA VAL 29 -4.511 -2.339 12.016 196 HB VAL 29 HB VAL 29 -2.448 -0.955 12.020 197 HG11 VAL 29 HG11 VAL 29 -2.686 -2.629 10.299 198 HG12 VAL 29 HG12 VAL 29 -2.009 -1.184 9.548 199 HG13 VAL 29 HG13 VAL 29 -3.719 -1.567 9.340 200 HG21 VAL 29 HG21 VAL 29 -3.706 0.847 9.935 201 HG22 VAL 29 HG22 VAL 29 -2.299 1.140 10.952 202 HG23 VAL 29 HG23 VAL 29 -3.916 1.230 11.641 203 H GLY 30 H GLY 30 -3.680 -1.943 14.145 204 HA2 GLY 30 HA2 GLY 30 -5.539 -0.739 15.850 205 HA3 GLY 30 HA3 GLY 30 -3.916 -1.238 16.324 206 HA PRO 31 HA PRO 31 -2.369 3.018 16.403 207 HB2 PRO 31 HB2 PRO 31 -0.993 2.857 13.757 208 HB3 PRO 31 HB3 PRO 31 -0.331 3.290 15.348 209 HG2 PRO 31 HG2 PRO 31 0.242 0.960 14.290 210 HG3 PRO 31 HG3 PRO 31 -0.151 1.074 16.019 211 HD2 PRO 31 HD2 PRO 31 -1.907 0.135 13.760 212 HD3 PRO 31 HD3 PRO 31 -1.697 -0.562 15.389 213 H GLY 32 H GLY 32 -3.064 2.224 13.021 214 HA2 GLY 32 HA2 GLY 32 -4.436 4.774 12.561 215 HA3 GLY 32 HA3 GLY 32 -3.978 3.598 11.330 216 H ASP 33 H ASP 33 -5.892 3.333 14.357 217 HA ASP 33 HA ASP 33 -7.699 1.432 13.341 218 HB2 ASP 33 HB2 ASP 33 -7.383 1.903 15.758 219 HB3 ASP 33 HB3 ASP 33 -8.221 3.442 15.543 220 H LYS 34 H LYS 34 -7.800 4.950 13.343 221 HA LYS 34 HA LYS 34 -10.453 5.280 12.410 222 HB2 LYS 34 HB2 LYS 34 -9.057 7.082 13.446 223 HB3 LYS 34 HB3 LYS 34 -8.090 7.123 11.969 224 HG2 LYS 34 HG2 LYS 34 -10.118 7.678 10.659 225 HG3 LYS 34 HG3 LYS 34 -11.080 7.652 12.138 226 HD2 LYS 34 HD2 LYS 34 -8.679 9.472 11.781 227 HD3 LYS 34 HD3 LYS 34 -10.322 9.965 11.360 228 HE2 LYS 34 HE2 LYS 34 -11.037 9.467 13.702 229 HE3 LYS 34 HE3 LYS 34 -9.363 9.079 14.105 230 HZ1 LYS 34 HZ1 LYS 34 -10.474 11.693 13.262 231 HZ2 LYS 34 HZ2 LYS 34 -8.806 11.367 13.269 232 HZ3 LYS 34 HZ3 LYS 34 -9.693 11.313 14.717 233 H TYR 35 H TYR 35 -7.338 4.867 10.760 234 HA TYR 35 HA TYR 35 -8.457 5.267 8.128 235 HB2 TYR 35 HB2 TYR 35 -6.116 5.913 8.747 236 HB3 TYR 35 HB3 TYR 35 -5.728 4.199 8.885 237 HD1 TYR 35 HD1 TYR 35 -6.441 6.954 6.596 238 HD2 TYR 35 HD2 TYR 35 -5.812 2.723 6.899 239 HE1 TYR 35 HE1 TYR 35 -6.110 6.839 4.152 240 HE2 TYR 35 HE2 TYR 35 -5.477 2.593 4.442 241 HH TYR 35 HH TYR 35 -6.347 5.043 2.344 242 H THR 36 H THR 36 -9.233 3.773 6.777 243 HA THR 36 HA THR 36 -8.404 1.001 6.996 244 HB THR 36 HB THR 36 -10.288 1.045 8.558 245 HG1 THR 36 HG1 THR 36 -10.389 -0.846 7.630 246 HG21 THR 36 HG21 THR 36 -12.453 1.800 8.003 247 HG22 THR 36 HG22 THR 36 -12.100 1.822 6.277 248 HG23 THR 36 HG23 THR 36 -11.392 3.040 7.337 249 H CYS 37 H CYS 37 -8.720 -0.202 5.132 250 HA CYS 37 HA CYS 37 -9.462 1.352 2.733 251 HB2 CYS 37 HB2 CYS 37 -7.679 -1.087 3.025 252 HB3 CYS 37 HB3 CYS 37 -8.123 -0.357 1.482 253 H MET 38 H MET 38 -10.917 0.530 1.264 254 HA MET 38 HA MET 38 -12.408 -1.888 2.089 255 HB2 MET 38 HB2 MET 38 -13.462 0.684 0.942 256 HB3 MET 38 HB3 MET 38 -14.433 -0.771 1.169 257 HG2 MET 38 HG2 MET 38 -14.013 -0.722 3.573 258 HG3 MET 38 HG3 MET 38 -12.947 0.672 3.382 259 HE1 MET 38 HE1 MET 38 -16.340 -0.846 3.279 260 HE2 MET 38 HE2 MET 38 -16.499 -0.168 1.663 261 HE3 MET 38 HE3 MET 38 -17.497 0.459 2.971 262 H PHE 39 H PHE 39 -13.191 -3.222 0.525 263 HA PHE 39 HA PHE 39 -12.501 -2.653 -2.284 264 HB2 PHE 39 HB2 PHE 39 -10.735 -4.081 -1.096 265 HB3 PHE 39 HB3 PHE 39 -11.969 -5.334 -1.001 266 HD1 PHE 39 HD1 PHE 39 -9.965 -3.244 -3.321 267 HD2 PHE 39 HD2 PHE 39 -12.600 -6.615 -2.940 268 HE1 PHE 39 HE1 PHE 39 -9.426 -3.923 -5.640 269 HE2 PHE 39 HE2 PHE 39 -12.063 -7.293 -5.266 270 HZ PHE 39 HZ PHE 39 -10.473 -5.946 -6.615 271 H THR 40 H THR 40 -14.433 -2.639 -3.242 272 HA THR 40 HA THR 40 -16.435 -4.709 -2.520 273 HB THR 40 HB THR 40 -16.883 -2.001 -3.833 274 HG1 THR 40 HG1 THR 40 -16.279 -2.055 -1.558 275 HG21 THR 40 HG21 THR 40 -18.914 -3.948 -2.704 276 HG22 THR 40 HG22 THR 40 -18.526 -3.837 -4.422 277 HG23 THR 40 HG23 THR 40 -19.242 -2.458 -3.589 278 H TYR 41 H TYR 41 -17.040 -6.181 -4.037 279 HA TYR 41 HA TYR 41 -16.586 -5.657 -6.885 280 HB2 TYR 41 HB2 TYR 41 -15.214 -7.684 -7.200 281 HB3 TYR 41 HB3 TYR 41 -14.419 -6.531 -6.131 282 HD1 TYR 41 HD1 TYR 41 -16.131 -9.789 -6.336 283 HD2 TYR 41 HD2 TYR 41 -14.233 -6.964 -3.715 284 HE1 TYR 41 HE1 TYR 41 -16.043 -11.506 -4.549 285 HE2 TYR 41 HE2 TYR 41 -14.142 -8.683 -1.930 286 HH TYR 41 HH TYR 41 -15.519 -10.818 -1.370 287 H ALA 42 H ALA 42 -17.449 -7.333 -8.318 288 HA ALA 42 HA ALA 42 -19.354 -9.231 -7.134 289 HB1 ALA 42 HB1 ALA 42 -20.929 -8.430 -9.114 290 HB2 ALA 42 HB2 ALA 42 -20.054 -6.915 -8.893 291 HB3 ALA 42 HB3 ALA 42 -20.958 -7.614 -7.551 292 H SER 43 H SER 43 -19.558 -11.132 -8.312 293 HA SER 43 HA SER 43 -18.539 -11.300 -11.041 294 HB2 SER 43 HB2 SER 43 -16.526 -11.514 -9.603 295 HB3 SER 43 HB3 SER 43 -17.282 -12.924 -8.866 296 HG SER 43 HG SER 43 -16.178 -13.815 -10.482 297 H GLN 44 H GLN 44 -18.740 -13.428 -11.968 298 HA GLN 44 HA GLN 44 -20.888 -15.037 -10.758 299 HB2 GLN 44 HB2 GLN 44 -21.647 -13.671 -12.723 300 HB3 GLN 44 HB3 GLN 44 -20.483 -14.541 -13.715 301 HG2 GLN 44 HG2 GLN 44 -22.687 -15.590 -13.945 302 HG3 GLN 44 HG3 GLN 44 -21.577 -16.684 -13.114 303 HE21 GLN 44 HE21 GLN 44 -22.706 -17.747 -11.469 304 HE22 GLN 44 HE22 GLN 44 -23.844 -17.018 -10.442 305 H GLY 45 H GLY 45 -20.453 -17.110 -10.530 306 HA2 GLY 45 HA2 GLY 45 -19.218 -18.912 -12.160 307 HA3 GLY 45 HA3 GLY 45 -17.886 -18.195 -11.249 308 H GLY 46 H GLY 46 -18.123 -20.783 -10.799 309 HA2 GLY 46 HA2 GLY 46 -19.620 -21.025 -8.250 310 HA3 GLY 46 HA3 GLY 46 -19.404 -22.371 -9.366 311 H THR 47 H THR 47 -16.556 -20.554 -9.264 312 HA THR 47 HA THR 47 -15.403 -22.260 -7.127 313 HB THR 47 HB THR 47 -14.065 -21.439 -9.725 314 HG1 THR 47 HG1 THR 47 -14.350 -23.572 -10.288 315 HG21 THR 47 HG21 THR 47 -13.121 -23.375 -7.590 316 HG22 THR 47 HG22 THR 47 -12.545 -21.715 -7.738 317 HG23 THR 47 HG23 THR 47 -12.235 -22.872 -9.030 318 H ASN 48 H ASN 48 -14.381 -21.235 -5.555 319 HA ASN 48 HA ASN 48 -14.005 -18.355 -5.735 320 HB2 ASN 48 HB2 ASN 48 -13.624 -18.435 -3.334 321 HB3 ASN 48 HB3 ASN 48 -15.073 -19.364 -3.720 322 HD21 ASN 48 HD21 ASN 48 -13.514 -19.810 -1.312 323 HD22 ASN 48 HD22 ASN 48 -12.845 -21.366 -1.410 324 H GLU 49 H GLU 49 -11.919 -17.585 -4.451 325 HA GLU 49 HA GLU 49 -9.593 -19.205 -4.938 326 HB2 GLU 49 HB2 GLU 49 -8.472 -17.605 -6.382 327 HB3 GLU 49 HB3 GLU 49 -9.921 -18.241 -7.166 328 HG2 GLU 49 HG2 GLU 49 -11.116 -16.152 -6.308 329 HG3 GLU 49 HG3 GLU 49 -9.513 -15.547 -5.848 330 H GLN 50 H GLN 50 -7.560 -17.831 -4.427 331 HA GLN 50 HA GLN 50 -8.163 -16.307 -1.970 332 HB2 GLN 50 HB2 GLN 50 -5.864 -18.141 -2.652 333 HB3 GLN 50 HB3 GLN 50 -5.903 -17.108 -1.219 334 HG2 GLN 50 HG2 GLN 50 -7.880 -18.199 -0.392 335 HG3 GLN 50 HG3 GLN 50 -8.083 -19.090 -1.904 336 HE21 GLN 50 HE21 GLN 50 -7.773 -20.281 0.790 337 HE22 GLN 50 HE22 GLN 50 -6.360 -21.221 0.746 338 H TRP 51 H TRP 51 -7.510 -14.320 -1.842 339 HA TRP 51 HA TRP 51 -5.492 -13.303 -3.740 340 HB2 TRP 51 HB2 TRP 51 -7.940 -12.000 -2.578 341 HB3 TRP 51 HB3 TRP 51 -6.632 -11.056 -3.282 342 HD1 TRP 51 HD1 TRP 51 -8.951 -14.011 -4.309 343 HE1 TRP 51 HE1 TRP 51 -9.439 -13.739 -6.829 344 HE3 TRP 51 HE3 TRP 51 -6.034 -9.941 -5.389 345 HZ2 TRP 51 HZ2 TRP 51 -8.679 -12.059 -9.026 346 HZ3 TRP 51 HZ3 TRP 51 -5.931 -9.034 -7.696 347 HH2 TRP 51 HH2 TRP 51 -7.247 -10.082 -9.517 348 H GLN 52 H GLN 52 -3.930 -11.877 -2.951 349 HA GLN 52 HA GLN 52 -3.601 -11.883 -0.012 350 HB2 GLN 52 HB2 GLN 52 -1.501 -11.444 -2.159 351 HB3 GLN 52 HB3 GLN 52 -1.220 -11.487 -0.423 352 HG2 GLN 52 HG2 GLN 52 -2.327 -13.802 -2.045 353 HG3 GLN 52 HG3 GLN 52 -0.662 -13.660 -1.490 354 HE21 GLN 52 HE21 GLN 52 -3.235 -15.426 -0.749 355 HE22 GLN 52 HE22 GLN 52 -3.148 -15.462 0.945 356 H MET 53 H MET 53 -3.377 -10.024 1.107 357 HA MET 53 HA MET 53 -3.380 -7.479 -0.400 358 HB2 MET 53 HB2 MET 53 -4.942 -8.115 2.114 359 HB3 MET 53 HB3 MET 53 -4.767 -6.511 1.414 360 HG2 MET 53 HG2 MET 53 -5.729 -7.409 -0.718 361 HG3 MET 53 HG3 MET 53 -6.069 -8.915 0.133 362 HE1 MET 53 HE1 MET 53 -7.687 -7.737 3.220 363 HE2 MET 53 HE2 MET 53 -6.939 -9.039 2.305 364 HE3 MET 53 HE3 MET 53 -8.674 -8.773 2.182 365 H SER 54 H SER 54 -2.013 -5.953 0.282 366 HA SER 54 HA SER 54 -0.605 -6.372 2.836 367 HB2 SER 54 HB2 SER 54 0.682 -5.729 0.181 368 HB3 SER 54 HB3 SER 54 1.499 -5.625 1.737 369 HG SER 54 HG SER 54 1.868 -7.676 1.386 370 H LEU 55 H LEU 55 -0.209 -4.586 3.989 371 HA LEU 55 HA LEU 55 -0.747 -1.962 2.772 372 HB2 LEU 55 HB2 LEU 55 -2.047 -1.277 4.745 373 HB3 LEU 55 HB3 LEU 55 -2.842 -2.569 3.853 374 HG LEU 55 HG LEU 55 -0.994 -3.406 6.097 375 HD11 LEU 55 HD11 LEU 55 -2.329 -1.493 7.023 376 HD12 LEU 55 HD12 LEU 55 -2.631 -3.034 7.824 377 HD13 LEU 55 HD13 LEU 55 -3.794 -2.403 6.658 378 HD21 LEU 55 HD21 LEU 55 -2.634 -5.193 6.355 379 HD22 LEU 55 HD22 LEU 55 -2.277 -5.029 4.637 380 HD23 LEU 55 HD23 LEU 55 -3.769 -4.361 5.293 381 H GLY 56 H GLY 56 0.353 -0.252 3.660 382 HA2 GLY 56 HA2 GLY 56 2.159 -0.754 5.915 383 HA3 GLY 56 HA3 GLY 56 2.879 -0.286 4.375 384 H THR 57 H THR 57 3.015 1.190 6.836 385 HA THR 57 HA THR 57 1.616 3.670 6.026 386 HB THR 57 HB THR 57 1.190 4.194 8.379 387 HG1 THR 57 HG1 THR 57 2.367 1.654 8.824 388 HG21 THR 57 HG21 THR 57 -0.404 2.721 7.003 389 HG22 THR 57 HG22 THR 57 -0.596 2.666 8.759 390 HG23 THR 57 HG23 THR 57 0.244 1.363 7.921 391 H SER 58 H SER 58 2.611 5.636 6.735 392 HA SER 58 HA SER 58 5.458 5.656 6.519 393 HB2 SER 58 HB2 SER 58 4.141 7.528 5.682 394 HB3 SER 58 HB3 SER 58 3.494 7.825 7.294 395 HG SER 58 HG SER 58 5.292 8.812 7.795 396 H GLU 59 H GLU 59 6.984 6.342 8.130 397 HA GLU 59 HA GLU 59 6.683 5.134 10.644 398 HB2 GLU 59 HB2 GLU 59 8.739 6.339 11.293 399 HB3 GLU 59 HB3 GLU 59 8.892 5.627 9.689 400 HG2 GLU 59 HG2 GLU 59 8.300 7.838 8.683 401 HG3 GLU 59 HG3 GLU 59 8.249 8.534 10.303 402 H ASP 60 H ASP 60 5.845 8.346 9.560 403 HA ASP 60 HA ASP 60 5.114 9.205 12.276 404 HB2 ASP 60 HB2 ASP 60 5.087 10.724 9.658 405 HB3 ASP 60 HB3 ASP 60 4.692 11.402 11.240 406 H HIS 61 H HIS 61 3.701 7.426 9.866 407 HA HIS 61 HA HIS 61 1.586 6.788 9.339 408 HB2 HIS 61 HB2 HIS 61 0.947 8.184 11.951 409 HB3 HIS 61 HB3 HIS 61 -0.187 7.171 11.051 410 HD2 HIS 61 HD2 HIS 61 3.380 6.672 12.766 411 HE1 HIS 61 HE1 HIS 61 1.398 2.949 12.588 412 HE2 HIS 61 HE2 HIS 61 3.480 4.145 13.419 413 H GLN 62 H GLN 62 2.662 9.384 8.425 414 HA GLN 62 HA GLN 62 0.428 11.197 8.209 415 HB2 GLN 62 HB2 GLN 62 1.913 12.482 6.695 416 HB3 GLN 62 HB3 GLN 62 2.683 12.116 8.239 417 HG2 GLN 62 HG2 GLN 62 3.921 10.286 7.256 418 HG3 GLN 62 HG3 GLN 62 3.063 10.467 5.730 419 HE21 GLN 62 HE21 GLN 62 5.998 11.118 7.078 420 HE22 GLN 62 HE22 GLN 62 6.413 12.527 6.227 421 H HIS 63 H HIS 63 1.773 8.580 6.309 422 HA HIS 63 HA HIS 63 -0.395 8.946 4.337 423 HB2 HIS 63 HB2 HIS 63 2.449 8.086 3.771 424 HB3 HIS 63 HB3 HIS 63 1.125 7.973 2.610 425 HD2 HIS 63 HD2 HIS 63 3.767 10.501 3.610 426 HE1 HIS 63 HE1 HIS 63 0.706 12.714 1.733 427 HE2 HIS 63 HE2 HIS 63 3.106 12.798 2.560 428 H PHE 64 H PHE 64 -1.478 7.148 3.669 429 HA PHE 64 HA PHE 64 -0.681 4.544 4.830 430 HB2 PHE 64 HB2 PHE 64 -3.440 5.752 4.670 431 HB3 PHE 64 HB3 PHE 64 -3.129 4.058 5.064 432 HD1 PHE 64 HD1 PHE 64 -2.655 7.569 6.192 433 HD2 PHE 64 HD2 PHE 64 -2.295 3.418 7.231 434 HE1 PHE 64 HE1 PHE 64 -2.292 8.187 8.575 435 HE2 PHE 64 HE2 PHE 64 -1.931 4.042 9.603 436 HZ PHE 64 HZ PHE 64 -1.931 6.428 10.271 437 H THR 65 H THR 65 -0.740 2.808 3.448 438 HA THR 65 HA THR 65 -2.043 3.181 0.816 439 HB THR 65 HB THR 65 -0.137 2.099 -0.295 440 HG1 THR 65 HG1 THR 65 0.668 0.885 1.386 441 HG21 THR 65 HG21 THR 65 1.258 3.983 -0.356 442 HG22 THR 65 HG22 THR 65 1.050 4.312 1.362 443 HG23 THR 65 HG23 THR 65 -0.258 4.664 0.232 444 H CYS 66 H CYS 66 -2.910 1.383 -0.142 445 HA CYS 66 HA CYS 66 -2.702 -1.206 1.256 446 HB2 CYS 66 HB2 CYS 66 -5.283 0.077 0.311 447 HB3 CYS 66 HB3 CYS 66 -5.118 -1.602 0.839 448 H THR 67 H THR 67 -2.407 -2.914 -0.084 449 HA THR 67 HA THR 67 -2.882 -2.532 -2.978 450 HB THR 67 HB THR 67 -0.428 -3.845 -1.784 451 HG1 THR 67 HG1 THR 67 0.522 -1.962 -2.005 452 HG21 THR 67 HG21 THR 67 0.318 -4.215 -3.965 453 HG22 THR 67 HG22 THR 67 -0.709 -2.953 -4.639 454 HG23 THR 67 HG23 THR 67 -1.411 -4.497 -4.162 455 H ILE 68 H ILE 68 -3.866 -4.151 -3.992 456 HA ILE 68 HA ILE 68 -4.094 -6.786 -2.644 457 HB ILE 68 HB ILE 68 -6.336 -5.425 -4.164 458 HG12 ILE 68 HG12 ILE 68 -6.864 -5.749 -1.264 459 HG13 ILE 68 HG13 ILE 68 -5.434 -4.754 -1.505 460 HG21 ILE 68 HG21 ILE 68 -7.637 -7.251 -2.795 461 HG22 ILE 68 HG22 ILE 68 -6.060 -8.032 -2.689 462 HG23 ILE 68 HG23 ILE 68 -6.775 -7.701 -4.265 463 HD11 ILE 68 HD11 ILE 68 -6.618 -3.077 -2.567 464 HD12 ILE 68 HD12 ILE 68 -7.838 -3.677 -1.448 465 HD13 ILE 68 HD13 ILE 68 -7.880 -4.167 -3.139 466 H TRP 69 H TRP 69 -3.476 -8.470 -3.930 467 HA TRP 69 HA TRP 69 -3.985 -8.363 -6.809 468 HB2 TRP 69 HB2 TRP 69 -1.682 -8.809 -7.494 469 HB3 TRP 69 HB3 TRP 69 -1.757 -7.298 -6.597 470 HD1 TRP 69 HD1 TRP 69 -0.304 -10.777 -6.482 471 HE1 TRP 69 HE1 TRP 69 1.252 -10.985 -4.436 472 HE3 TRP 69 HE3 TRP 69 -1.428 -6.429 -4.115 473 HZ2 TRP 69 HZ2 TRP 69 1.919 -9.493 -2.096 474 HZ3 TRP 69 HZ3 TRP 69 -0.322 -5.833 -1.967 475 HH2 TRP 69 HH2 TRP 69 1.347 -7.372 -0.963 476 H ARG 70 H ARG 70 -3.502 -10.393 -7.941 477 HA ARG 70 HA ARG 70 -4.371 -12.692 -6.444 478 HB2 ARG 70 HB2 ARG 70 -5.064 -12.166 -8.809 479 HB3 ARG 70 HB3 ARG 70 -3.416 -12.521 -9.312 480 HG2 ARG 70 HG2 ARG 70 -4.568 -14.548 -9.670 481 HG3 ARG 70 HG3 ARG 70 -3.731 -14.803 -8.137 482 HD2 ARG 70 HD2 ARG 70 -5.716 -14.490 -6.876 483 HD3 ARG 70 HD3 ARG 70 -6.551 -13.715 -8.214 484 HE ARG 70 HE ARG 70 -6.948 -15.837 -9.190 485 HH11 ARG 70 HH11 ARG 70 -5.097 -16.189 -6.222 486 HH12 ARG 70 HH12 ARG 70 -5.422 -17.880 -6.092 487 HH21 ARG 70 HH21 ARG 70 -7.372 -18.026 -8.948 488 HH22 ARG 70 HH22 ARG 70 -6.700 -18.912 -7.621 489 HA PRO 71 HA PRO 71 -0.041 -13.765 -5.453 490 HB2 PRO 71 HB2 PRO 71 -0.431 -16.229 -4.360 491 HB3 PRO 71 HB3 PRO 71 -0.796 -14.709 -3.508 492 HG2 PRO 71 HG2 PRO 71 -2.657 -16.530 -4.962 493 HG3 PRO 71 HG3 PRO 71 -2.844 -15.760 -3.371 494 HD2 PRO 71 HD2 PRO 71 -4.038 -14.736 -5.565 495 HD3 PRO 71 HD3 PRO 71 -3.395 -13.688 -4.284 496 H GLN 72 H GLN 72 -2.195 -16.044 -7.087 497 HA GLN 72 HA GLN 72 -0.161 -17.669 -8.246 498 HB2 GLN 72 HB2 GLN 72 -3.071 -17.260 -8.889 499 HB3 GLN 72 HB3 GLN 72 -2.049 -18.412 -9.768 500 HG2 GLN 72 HG2 GLN 72 -1.501 -19.518 -7.607 501 HG3 GLN 72 HG3 GLN 72 -2.581 -18.393 -6.779 502 HE21 GLN 72 HE21 GLN 72 -2.719 -21.448 -7.266 503 HE22 GLN 72 HE22 GLN 72 -4.281 -21.677 -7.893 504 H GLY 73 H GLY 73 -1.926 -14.828 -9.305 505 HA2 GLY 73 HA2 GLY 73 -0.953 -13.173 -10.733 506 HA3 GLY 73 HA3 GLY 73 0.041 -14.429 -11.461 507 H LYS 74 H LYS 74 -2.545 -16.161 -11.538 508 HA LYS 74 HA LYS 74 -3.905 -14.795 -13.783 509 HB2 LYS 74 HB2 LYS 74 -3.108 -17.722 -13.753 510 HB3 LYS 74 HB3 LYS 74 -4.005 -16.907 -15.033 511 HG2 LYS 74 HG2 LYS 74 -1.208 -16.083 -14.166 512 HG3 LYS 74 HG3 LYS 74 -1.520 -17.196 -15.498 513 HD2 LYS 74 HD2 LYS 74 -2.671 -14.380 -15.385 514 HD3 LYS 74 HD3 LYS 74 -1.159 -14.775 -16.189 515 HE2 LYS 74 HE2 LYS 74 -2.382 -16.439 -17.602 516 HE3 LYS 74 HE3 LYS 74 -3.893 -15.900 -16.863 517 HZ1 LYS 74 HZ1 LYS 74 -2.114 -13.879 -18.015 518 HZ2 LYS 74 HZ2 LYS 74 -3.810 -13.898 -17.907 519 HZ3 LYS 74 HZ3 LYS 74 -3.018 -14.844 -19.077 520 H SER 75 H SER 75 -5.988 -14.578 -13.380 521 HA SER 75 HA SER 75 -7.365 -16.602 -11.713 522 HB2 SER 75 HB2 SER 75 -7.222 -14.477 -10.537 523 HB3 SER 75 HB3 SER 75 -7.870 -13.631 -11.937 524 HG SER 75 HG SER 75 -9.750 -14.074 -11.120 525 H TYR 76 H TYR 76 -9.037 -17.677 -12.679 526 HA TYR 76 HA TYR 76 -10.204 -16.462 -15.126 527 HB2 TYR 76 HB2 TYR 76 -9.627 -19.359 -14.486 528 HB3 TYR 76 HB3 TYR 76 -10.764 -18.888 -15.752 529 HD1 TYR 76 HD1 TYR 76 -7.223 -18.747 -14.662 530 HD2 TYR 76 HD2 TYR 76 -10.008 -17.905 -17.822 531 HE1 TYR 76 HE1 TYR 76 -5.336 -18.366 -16.228 532 HE2 TYR 76 HE2 TYR 76 -8.126 -17.524 -19.385 533 HH TYR 76 HH TYR 76 -5.819 -18.035 -19.642 534 H LEU 77 H LEU 77 -11.748 -15.374 -13.952 535 HA LEU 77 HA LEU 77 -14.127 -16.964 -13.385 536 HB2 LEU 77 HB2 LEU 77 -13.194 -14.786 -11.487 537 HB3 LEU 77 HB3 LEU 77 -14.699 -15.685 -11.382 538 HG LEU 77 HG LEU 77 -12.983 -17.802 -11.391 539 HD11 LEU 77 HD11 LEU 77 -10.919 -16.537 -11.545 540 HD12 LEU 77 HD12 LEU 77 -11.035 -17.197 -9.919 541 HD13 LEU 77 HD13 LEU 77 -11.409 -15.500 -10.208 542 HD21 LEU 77 HD21 LEU 77 -13.024 -17.661 -8.852 543 HD22 LEU 77 HD22 LEU 77 -14.599 -17.477 -9.623 544 HD23 LEU 77 HD23 LEU 77 -13.741 -16.059 -9.024 545 H TYR 78 H TYR 78 -16.123 -15.754 -13.779 546 HA TYR 78 HA TYR 78 -15.664 -13.541 -15.628 547 HB2 TYR 78 HB2 TYR 78 -17.269 -15.355 -16.185 548 HB3 TYR 78 HB3 TYR 78 -18.268 -14.873 -14.812 549 HD1 TYR 78 HD1 TYR 78 -16.930 -13.781 -18.111 550 HD2 TYR 78 HD2 TYR 78 -19.680 -12.935 -14.921 551 HE1 TYR 78 HE1 TYR 78 -18.021 -12.047 -19.508 552 HE2 TYR 78 HE2 TYR 78 -20.770 -11.203 -16.319 553 HH TYR 78 HH TYR 78 -20.944 -10.874 -19.029 554 H PHE 79 H PHE 79 -14.940 -11.919 -14.228 555 HA PHE 79 HA PHE 79 -16.475 -11.084 -11.932 556 HB2 PHE 79 HB2 PHE 79 -14.151 -9.829 -13.398 557 HB3 PHE 79 HB3 PHE 79 -14.928 -9.076 -12.008 558 HD1 PHE 79 HD1 PHE 79 -12.704 -11.741 -13.154 559 HD2 PHE 79 HD2 PHE 79 -14.850 -10.172 -9.779 560 HE1 PHE 79 HE1 PHE 79 -11.308 -13.111 -11.627 561 HE2 PHE 79 HE2 PHE 79 -13.459 -11.545 -8.255 562 HZ PHE 79 HZ PHE 79 -11.687 -13.012 -9.177 563 H THR 80 H THR 80 -18.082 -9.650 -11.829 564 HA THR 80 HA THR 80 -19.203 -8.563 -14.251 565 HB THR 80 HB THR 80 -19.918 -7.993 -11.355 566 HG1 THR 80 HG1 THR 80 -20.773 -9.897 -11.443 567 HG21 THR 80 HG21 THR 80 -20.718 -6.339 -13.124 568 HG22 THR 80 HG22 THR 80 -21.992 -7.119 -12.187 569 HG23 THR 80 HG23 THR 80 -21.640 -7.670 -13.824 570 H GLN 81 H GLN 81 -17.460 -7.300 -11.442 571 HA GLN 81 HA GLN 81 -15.990 -5.367 -12.788 572 HB2 GLN 81 HB2 GLN 81 -17.088 -3.254 -12.083 573 HB3 GLN 81 HB3 GLN 81 -18.083 -4.158 -13.224 574 HG2 GLN 81 HG2 GLN 81 -19.345 -5.114 -11.258 575 HG3 GLN 81 HG3 GLN 81 -18.417 -4.043 -10.206 576 HE21 GLN 81 HE21 GLN 81 -21.353 -4.228 -11.769 577 HE22 GLN 81 HE22 GLN 81 -21.672 -2.570 -11.947 578 H PHE 82 H PHE 82 -14.999 -3.732 -11.212 579 HA PHE 82 HA PHE 82 -15.123 -4.641 -8.432 580 HB2 PHE 82 HB2 PHE 82 -12.647 -4.696 -8.247 581 HB3 PHE 82 HB3 PHE 82 -13.268 -5.937 -9.338 582 HD1 PHE 82 HD1 PHE 82 -11.494 -2.703 -9.124 583 HD2 PHE 82 HD2 PHE 82 -12.863 -5.829 -11.724 584 HE1 PHE 82 HE1 PHE 82 -10.081 -1.798 -10.955 585 HE2 PHE 82 HE2 PHE 82 -11.455 -4.928 -13.556 586 HZ PHE 82 HZ PHE 82 -10.066 -2.912 -13.172 587 H LYS 83 H LYS 83 -14.477 -3.140 -6.885 588 HA LYS 83 HA LYS 83 -13.895 -0.391 -7.788 589 HB2 LYS 83 HB2 LYS 83 -16.115 -1.012 -5.802 590 HB3 LYS 83 HB3 LYS 83 -15.716 0.553 -6.512 591 HG2 LYS 83 HG2 LYS 83 -16.651 -1.832 -8.142 592 HG3 LYS 83 HG3 LYS 83 -17.741 -0.590 -7.532 593 HD2 LYS 83 HD2 LYS 83 -16.747 1.097 -8.872 594 HD3 LYS 83 HD3 LYS 83 -15.339 0.105 -9.242 595 HE2 LYS 83 HE2 LYS 83 -16.765 -1.470 -10.485 596 HE3 LYS 83 HE3 LYS 83 -18.183 -0.499 -10.102 597 HZ1 LYS 83 HZ1 LYS 83 -16.632 1.351 -11.178 598 HZ2 LYS 83 HZ2 LYS 83 -17.675 0.393 -12.112 599 HZ3 LYS 83 HZ3 LYS 83 -16.026 0.002 -12.003 600 H ALA 84 H ALA 84 -13.029 0.979 -6.098 601 HA ALA 84 HA ALA 84 -12.317 -0.339 -3.571 602 HB1 ALA 84 HB1 ALA 84 -10.329 -0.802 -4.715 603 HB2 ALA 84 HB2 ALA 84 -9.970 0.704 -3.871 604 HB3 ALA 84 HB3 ALA 84 -10.362 0.730 -5.590 605 H GLU 85 H GLU 85 -12.170 1.016 -1.834 606 HA GLU 85 HA GLU 85 -12.001 3.883 -2.184 607 HB2 GLU 85 HB2 GLU 85 -14.145 4.388 -1.066 608 HB3 GLU 85 HB3 GLU 85 -14.391 3.530 -2.592 609 HG2 GLU 85 HG2 GLU 85 -14.620 1.383 -1.318 610 HG3 GLU 85 HG3 GLU 85 -14.445 2.301 0.182 611 H VAL 86 H VAL 86 -11.947 5.028 -0.057 612 HA VAL 86 HA VAL 86 -11.089 3.246 2.146 613 HB VAL 86 HB VAL 86 -9.293 4.841 2.705 614 HG11 VAL 86 HG11 VAL 86 -9.130 3.842 -0.156 615 HG12 VAL 86 HG12 VAL 86 -8.881 2.835 1.271 616 HG13 VAL 86 HG13 VAL 86 -7.771 4.161 0.922 617 HG21 VAL 86 HG21 VAL 86 -8.623 6.463 0.844 618 HG22 VAL 86 HG22 VAL 86 -10.086 6.896 1.732 619 HG23 VAL 86 HG23 VAL 86 -10.210 6.163 0.133 620 H ARG 87 H ARG 87 -11.114 4.208 4.273 621 HA ARG 87 HA ARG 87 -12.979 6.485 4.532 622 HB2 ARG 87 HB2 ARG 87 -13.056 3.918 6.115 623 HB3 ARG 87 HB3 ARG 87 -14.017 5.348 6.479 624 HG2 ARG 87 HG2 ARG 87 -14.108 3.975 3.778 625 HG3 ARG 87 HG3 ARG 87 -15.191 3.533 5.098 626 HD2 ARG 87 HD2 ARG 87 -14.935 6.330 3.934 627 HD3 ARG 87 HD3 ARG 87 -16.221 5.188 3.558 628 HE ARG 87 HE ARG 87 -16.296 5.351 6.291 629 HH11 ARG 87 HH11 ARG 87 -16.396 7.773 3.754 630 HH12 ARG 87 HH12 ARG 87 -17.382 8.868 4.666 631 HH21 ARG 87 HH21 ARG 87 -17.590 6.802 7.446 632 HH22 ARG 87 HH22 ARG 87 -18.051 8.318 6.748 633 H GLY 88 H GLY 88 -12.750 7.814 6.290 634 HA2 GLY 88 HA2 GLY 88 -11.754 8.744 8.173 635 HA3 GLY 88 HA3 GLY 88 -10.693 7.343 8.273 636 H ALA 89 H ALA 89 -10.525 8.423 5.116 637 HA ALA 89 HA ALA 89 -8.636 10.593 5.453 638 HB1 ALA 89 HB1 ALA 89 -7.271 8.624 6.041 639 HB2 ALA 89 HB2 ALA 89 -6.718 9.403 4.554 640 HB3 ALA 89 HB3 ALA 89 -7.675 7.925 4.475 641 H GLU 90 H GLU 90 -7.582 11.136 3.307 642 HA GLU 90 HA GLU 90 -9.536 10.728 1.131 643 HB2 GLU 90 HB2 GLU 90 -8.595 12.795 0.131 644 HB3 GLU 90 HB3 GLU 90 -9.250 13.079 1.741 645 HG2 GLU 90 HG2 GLU 90 -6.962 12.909 2.695 646 HG3 GLU 90 HG3 GLU 90 -6.315 12.658 1.072 647 H ILE 91 H ILE 91 -8.833 10.234 -0.962 648 HA ILE 91 HA ILE 91 -6.395 8.638 -1.041 649 HB ILE 91 HB ILE 91 -8.587 8.993 -3.125 650 HG12 ILE 91 HG12 ILE 91 -8.035 6.618 -1.310 651 HG13 ILE 91 HG13 ILE 91 -9.181 7.894 -0.881 652 HG21 ILE 91 HG21 ILE 91 -7.571 6.871 -4.078 653 HG22 ILE 91 HG22 ILE 91 -6.221 7.081 -2.963 654 HG23 ILE 91 HG23 ILE 91 -6.522 8.283 -4.216 655 HD11 ILE 91 HD11 ILE 91 -10.262 5.905 -1.975 656 HD12 ILE 91 HD12 ILE 91 -9.339 6.260 -3.436 657 HD13 ILE 91 HD13 ILE 91 -10.529 7.417 -2.841 658 H GLU 92 H GLU 92 -4.531 9.267 -1.880 659 HA GLU 92 HA GLU 92 -4.273 11.864 -3.157 660 HB2 GLU 92 HB2 GLU 92 -2.274 9.724 -2.411 661 HB3 GLU 92 HB3 GLU 92 -1.836 11.225 -3.227 662 HG2 GLU 92 HG2 GLU 92 -2.684 12.541 -1.363 663 HG3 GLU 92 HG3 GLU 92 -3.288 11.085 -0.569 664 H TYR 93 H TYR 93 -3.880 8.436 -3.983 665 HA TYR 93 HA TYR 93 -4.478 8.913 -6.751 666 HB2 TYR 93 HB2 TYR 93 -2.029 9.555 -6.519 667 HB3 TYR 93 HB3 TYR 93 -1.714 7.861 -6.148 668 HD1 TYR 93 HD1 TYR 93 -2.887 10.216 -8.744 669 HD2 TYR 93 HD2 TYR 93 -1.874 6.141 -7.847 670 HE1 TYR 93 HE1 TYR 93 -2.901 9.683 -11.165 671 HE2 TYR 93 HE2 TYR 93 -1.890 5.609 -10.270 672 HH TYR 93 HH TYR 93 -1.556 7.566 -12.588 673 H ALA 94 H ALA 94 -5.299 7.108 -7.665 674 HA ALA 94 HA ALA 94 -4.785 4.492 -6.400 675 HB1 ALA 94 HB1 ALA 94 -6.980 5.366 -5.623 676 HB2 ALA 94 HB2 ALA 94 -7.137 3.901 -6.593 677 HB3 ALA 94 HB3 ALA 94 -7.503 5.473 -7.304 678 H MET 95 H MET 95 -4.491 2.839 -7.805 679 HA MET 95 HA MET 95 -5.363 2.991 -10.555 680 HB2 MET 95 HB2 MET 95 -3.125 2.812 -11.554 681 HB3 MET 95 HB3 MET 95 -3.297 4.327 -10.668 682 HG2 MET 95 HG2 MET 95 -2.133 3.309 -8.724 683 HG3 MET 95 HG3 MET 95 -1.955 1.812 -9.646 684 HE1 MET 95 HE1 MET 95 1.655 3.200 -9.507 685 HE2 MET 95 HE2 MET 95 0.586 1.839 -9.180 686 HE3 MET 95 HE3 MET 95 0.394 3.333 -8.269 687 H ALA 96 H ALA 96 -4.558 1.055 -11.807 688 HA ALA 96 HA ALA 96 -3.983 -1.288 -10.158 689 HB1 ALA 96 HB1 ALA 96 -6.362 -1.326 -10.110 690 HB2 ALA 96 HB2 ALA 96 -5.872 -2.524 -11.302 691 HB3 ALA 96 HB3 ALA 96 -6.479 -0.954 -11.824 692 H TYR 97 H TYR 97 -3.199 -3.081 -11.390 693 HA TYR 97 HA TYR 97 -2.316 -2.310 -14.132 694 HB2 TYR 97 HB2 TYR 97 -0.948 -4.028 -12.078 695 HB3 TYR 97 HB3 TYR 97 -0.386 -3.851 -13.741 696 HD1 TYR 97 HD1 TYR 97 -0.784 -2.207 -10.480 697 HD2 TYR 97 HD2 TYR 97 0.485 -1.694 -14.552 698 HE1 TYR 97 HE1 TYR 97 0.352 -0.092 -9.859 699 HE2 TYR 97 HE2 TYR 97 1.622 0.422 -13.930 700 HH TYR 97 HH TYR 97 2.575 1.463 -11.884 701 H SER 98 H SER 98 -3.575 -3.282 -15.581 702 HA SER 98 HA SER 98 -4.862 -5.806 -15.192 703 HB2 SER 98 HB2 SER 98 -4.459 -4.121 -17.661 704 HB3 SER 98 HB3 SER 98 -5.412 -5.605 -17.623 705 HG SER 98 HG SER 98 -6.776 -4.645 -16.144 706 H LYS 99 H LYS 99 -2.001 -4.765 -16.986 707 HA LYS 99 HA LYS 99 -1.121 -7.567 -17.157 708 HB2 LYS 99 HB2 LYS 99 -2.282 -6.927 -19.293 709 HB3 LYS 99 HB3 LYS 99 -1.068 -5.677 -19.516 710 HG2 LYS 99 HG2 LYS 99 0.013 -7.328 -20.701 711 HG3 LYS 99 HG3 LYS 99 0.615 -7.786 -19.110 712 HD2 LYS 99 HD2 LYS 99 -1.975 -8.917 -20.203 713 HD3 LYS 99 HD3 LYS 99 -0.422 -9.642 -20.605 714 HE2 LYS 99 HE2 LYS 99 -0.826 -10.868 -18.718 715 HE3 LYS 99 HE3 LYS 99 -0.163 -9.469 -17.882 716 HZ1 LYS 99 HZ1 LYS 99 -2.148 -9.676 -16.820 717 HZ2 LYS 99 HZ2 LYS 99 -2.941 -10.338 -18.169 718 HZ3 LYS 99 HZ3 LYS 99 -2.644 -8.669 -18.090 719 H ALA 100 H ALA 100 0.964 -7.863 -16.820 720 HA ALA 100 HA ALA 100 2.670 -5.593 -16.185 721 HB1 ALA 100 HB1 ALA 100 4.334 -7.545 -15.749 722 HB2 ALA 100 HB2 ALA 100 2.915 -8.579 -15.904 723 HB3 ALA 100 HB3 ALA 100 2.970 -7.341 -14.650 724 H ALA 101 H ALA 101 4.491 -4.997 -17.318 725 HA ALA 101 HA ALA 101 4.490 -5.280 -20.096 726 HB1 ALA 101 HB1 ALA 101 7.078 -4.553 -19.596 727 HB2 ALA 101 HB2 ALA 101 6.288 -4.087 -18.091 728 HB3 ALA 101 HB3 ALA 101 5.714 -3.439 -19.626 729 H PHE 102 H PHE 102 5.504 -6.516 -21.529 730 HA PHE 102 HA PHE 102 6.636 -9.049 -20.620 731 HB2 PHE 102 HB2 PHE 102 5.819 -7.956 -23.304 732 HB3 PHE 102 HB3 PHE 102 6.663 -9.490 -23.117 733 HD1 PHE 102 HD1 PHE 102 3.548 -7.628 -22.444 734 HD2 PHE 102 HD2 PHE 102 5.538 -11.421 -22.097 735 HE1 PHE 102 HE1 PHE 102 1.387 -8.712 -21.896 736 HE2 PHE 102 HE2 PHE 102 3.375 -12.505 -21.548 737 HZ PHE 102 HZ PHE 102 1.300 -11.151 -21.447 738 H GLU 103 H GLU 103 8.736 -9.520 -20.639 739 HA GLU 103 HA GLU 103 10.986 -9.338 -20.869 740 HB2 GLU 103 HB2 GLU 103 10.380 -9.581 -23.293 741 HB3 GLU 103 HB3 GLU 103 10.380 -7.821 -23.428 742 HG2 GLU 103 HG2 GLU 103 12.736 -7.754 -22.700 743 HG3 GLU 103 HG3 GLU 103 12.741 -9.508 -22.533 744 H ARG 104 H ARG 104 10.213 -6.189 -22.408 745 HA ARG 104 HA ARG 104 11.227 -4.804 -20.029 746 HB2 ARG 104 HB2 ARG 104 12.182 -4.407 -22.867 747 HB3 ARG 104 HB3 ARG 104 12.494 -3.265 -21.554 748 HG2 ARG 104 HG2 ARG 104 13.722 -4.902 -20.305 749 HG3 ARG 104 HG3 ARG 104 13.226 -6.198 -21.396 750 HD2 ARG 104 HD2 ARG 104 15.517 -5.517 -21.916 751 HD3 ARG 104 HD3 ARG 104 14.449 -5.084 -23.246 752 HE ARG 104 HE ARG 104 14.729 -2.921 -21.382 753 HH11 ARG 104 HH11 ARG 104 16.361 -4.524 -24.052 754 HH12 ARG 104 HH12 ARG 104 17.279 -3.121 -24.489 755 HH21 ARG 104 HH21 ARG 104 15.961 -1.122 -21.981 756 HH22 ARG 104 HH22 ARG 104 17.052 -1.209 -23.323 757 H GLU 105 H GLU 105 8.779 -5.110 -22.382 758 HA GLU 105 HA GLU 105 7.588 -2.559 -21.584 759 HB2 GLU 105 HB2 GLU 105 8.076 -3.151 -24.510 760 HB3 GLU 105 HB3 GLU 105 7.219 -1.757 -23.857 761 HG2 GLU 105 HG2 GLU 105 9.347 -1.156 -22.614 762 HG3 GLU 105 HG3 GLU 105 10.155 -2.424 -23.529 763 H SER 106 H SER 106 5.448 -2.202 -22.518 764 HA SER 106 HA SER 106 3.390 -2.890 -23.365 765 HB2 SER 106 HB2 SER 106 4.291 -4.958 -24.409 766 HB3 SER 106 HB3 SER 106 4.230 -5.739 -22.828 767 HG SER 106 HG SER 106 2.169 -4.968 -24.566 768 H ASP 107 H ASP 107 4.119 -2.031 -20.804 769 HA ASP 107 HA ASP 107 2.493 -3.510 -18.891 770 HB2 ASP 107 HB2 ASP 107 4.600 -2.385 -18.204 771 HB3 ASP 107 HB3 ASP 107 3.885 -0.834 -18.628 772 H VAL 108 H VAL 108 0.324 -3.292 -18.964 773 HA VAL 108 HA VAL 108 -0.797 -0.738 -19.948 774 HB VAL 108 HB VAL 108 -2.062 -3.498 -19.839 775 HG11 VAL 108 HG11 VAL 108 -3.779 -1.777 -19.643 776 HG12 VAL 108 HG12 VAL 108 -3.821 -2.419 -21.285 777 HG13 VAL 108 HG13 VAL 108 -3.064 -0.858 -20.968 778 HG21 VAL 108 HG21 VAL 108 -1.913 -3.246 -22.371 779 HG22 VAL 108 HG22 VAL 108 -0.363 -3.448 -21.555 780 HG23 VAL 108 HG23 VAL 108 -0.873 -1.849 -22.095 781 HA PRO 109 HA PRO 109 -2.347 -0.515 -15.587 782 HB2 PRO 109 HB2 PRO 109 -2.431 2.122 -15.303 783 HB3 PRO 109 HB3 PRO 109 -0.866 1.274 -15.332 784 HG2 PRO 109 HG2 PRO 109 -2.223 2.804 -17.505 785 HG3 PRO 109 HG3 PRO 109 -0.516 2.814 -17.014 786 HD2 PRO 109 HD2 PRO 109 -1.503 1.339 -19.142 787 HD3 PRO 109 HD3 PRO 109 -0.011 0.942 -18.255 788 H LEU 110 H LEU 110 -4.444 -0.098 -14.790 789 HA LEU 110 HA LEU 110 -6.555 0.217 -16.728 790 HB2 LEU 110 HB2 LEU 110 -6.557 -0.133 -13.732 791 HB3 LEU 110 HB3 LEU 110 -8.039 0.129 -14.655 792 HG LEU 110 HG LEU 110 -6.069 -2.064 -15.345 793 HD11 LEU 110 HD11 LEU 110 -8.346 -2.042 -13.353 794 HD12 LEU 110 HD12 LEU 110 -6.738 -2.745 -13.195 795 HD13 LEU 110 HD13 LEU 110 -7.937 -3.531 -14.210 796 HD21 LEU 110 HD21 LEU 110 -8.936 -1.393 -16.092 797 HD22 LEU 110 HD22 LEU 110 -8.261 -2.998 -16.363 798 HD23 LEU 110 HD23 LEU 110 -7.556 -1.598 -17.171 799 H LYS 111 H LYS 111 -8.053 1.840 -16.890 800 HA LYS 111 HA LYS 111 -7.071 4.494 -16.281 801 HB2 LYS 111 HB2 LYS 111 -8.042 3.873 -18.495 802 HB3 LYS 111 HB3 LYS 111 -9.607 3.655 -17.711 803 HG2 LYS 111 HG2 LYS 111 -9.708 5.951 -17.072 804 HG3 LYS 111 HG3 LYS 111 -8.041 6.251 -17.582 805 HD2 LYS 111 HD2 LYS 111 -10.208 5.329 -19.492 806 HD3 LYS 111 HD3 LYS 111 -9.886 7.034 -19.185 807 HE2 LYS 111 HE2 LYS 111 -7.825 5.039 -20.196 808 HE3 LYS 111 HE3 LYS 111 -8.678 6.212 -21.195 809 HZ1 LYS 111 HZ1 LYS 111 -7.780 7.920 -19.556 810 HZ2 LYS 111 HZ2 LYS 111 -6.686 7.249 -20.669 811 HZ3 LYS 111 HZ3 LYS 111 -6.704 6.711 -19.058 812 H THR 112 H THR 112 -7.769 5.838 -14.708 813 HA THR 112 HA THR 112 -9.266 4.991 -12.498 814 HB THR 112 HB THR 112 -7.741 6.912 -12.394 815 HG1 THR 112 HG1 THR 112 -10.459 7.397 -11.786 816 HG21 THR 112 HG21 THR 112 -8.280 7.849 -14.640 817 HG22 THR 112 HG22 THR 112 -8.339 9.069 -13.369 818 HG23 THR 112 HG23 THR 112 -9.836 8.394 -14.012 819 H GLU 113 H GLU 113 -10.311 6.454 -15.465 820 HA GLU 113 HA GLU 113 -12.935 7.209 -14.772 821 HB2 GLU 113 HB2 GLU 113 -11.737 6.395 -17.413 822 HB3 GLU 113 HB3 GLU 113 -13.375 7.028 -17.224 823 HG2 GLU 113 HG2 GLU 113 -12.461 9.065 -16.176 824 HG3 GLU 113 HG3 GLU 113 -10.825 8.438 -16.392 825 H GLU 114 H GLU 114 -11.602 4.112 -14.921 826 HA GLU 114 HA GLU 114 -13.715 2.532 -15.929 827 HB2 GLU 114 HB2 GLU 114 -11.411 1.684 -15.553 828 HB3 GLU 114 HB3 GLU 114 -11.639 1.855 -13.813 829 HG2 GLU 114 HG2 GLU 114 -13.479 0.224 -13.880 830 HG3 GLU 114 HG3 GLU 114 -13.299 0.070 -15.629 831 H PHE 115 H PHE 115 -13.062 3.973 -12.804 832 HA PHE 115 HA PHE 115 -15.803 3.485 -11.917 833 HB2 PHE 115 HB2 PHE 115 -15.146 2.481 -9.768 834 HB3 PHE 115 HB3 PHE 115 -14.688 1.450 -11.122 835 HD1 PHE 115 HD1 PHE 115 -13.446 3.595 -8.413 836 HD2 PHE 115 HD2 PHE 115 -12.324 1.245 -11.826 837 HE1 PHE 115 HE1 PHE 115 -11.083 3.644 -7.668 838 HE2 PHE 115 HE2 PHE 115 -9.958 1.292 -11.082 839 HZ PHE 115 HZ PHE 115 -9.337 2.492 -9.002 840 H GLU 116 H GLU 116 -16.348 4.665 -9.950 841 HA GLU 116 HA GLU 116 -14.707 7.109 -9.658 842 HB2 GLU 116 HB2 GLU 116 -16.927 7.453 -10.690 843 HB3 GLU 116 HB3 GLU 116 -17.694 6.760 -9.258 844 HG2 GLU 116 HG2 GLU 116 -17.735 9.210 -9.099 845 HG3 GLU 116 HG3 GLU 116 -16.657 8.558 -7.866 846 H VAL 117 H VAL 117 -13.966 7.654 -7.683 847 HA VAL 117 HA VAL 117 -14.971 6.144 -5.335 848 HB VAL 117 HB VAL 117 -12.081 6.916 -5.895 849 HG11 VAL 117 HG11 VAL 117 -11.659 5.421 -3.886 850 HG12 VAL 117 HG12 VAL 117 -13.395 5.461 -3.583 851 HG13 VAL 117 HG13 VAL 117 -12.457 6.952 -3.520 852 HG21 VAL 117 HG21 VAL 117 -13.556 4.269 -6.021 853 HG22 VAL 117 HG22 VAL 117 -11.795 4.386 -5.944 854 HG23 VAL 117 HG23 VAL 117 -12.667 5.075 -7.313 855 H THR 118 H THR 118 -15.530 7.298 -3.633 856 HA THR 118 HA THR 118 -14.657 10.104 -3.385 857 HB THR 118 HB THR 118 -17.441 9.103 -2.736 858 HG1 THR 118 HG1 THR 118 -16.402 10.476 -4.985 859 HG21 THR 118 HG21 THR 118 -16.106 11.811 -2.780 860 HG22 THR 118 HG22 THR 118 -16.918 11.024 -1.426 861 HG23 THR 118 HG23 THR 118 -17.860 11.620 -2.794 862 H LYS 119 H LYS 119 -14.644 10.905 -1.204 863 HA LYS 119 HA LYS 119 -13.475 9.153 0.641 864 HB2 LYS 119 HB2 LYS 119 -13.640 10.982 2.255 865 HB3 LYS 119 HB3 LYS 119 -13.099 11.573 0.684 866 HG2 LYS 119 HG2 LYS 119 -15.429 12.286 0.167 867 HG3 LYS 119 HG3 LYS 119 -15.941 11.735 1.760 868 HD2 LYS 119 HD2 LYS 119 -13.754 13.795 1.382 869 HD3 LYS 119 HD3 LYS 119 -15.451 14.237 1.551 870 HE2 LYS 119 HE2 LYS 119 -13.890 12.592 3.563 871 HE3 LYS 119 HE3 LYS 119 -14.236 14.312 3.725 872 HZ1 LYS 119 HZ1 LYS 119 -15.909 13.239 4.924 873 HZ2 LYS 119 HZ2 LYS 119 -16.135 12.046 3.734 874 HZ3 LYS 119 HZ3 LYS 119 -16.651 13.642 3.453 875 H THR 120 H THR 120 -16.815 9.703 -0.003 876 HA THR 120 HA THR 120 -17.522 7.903 2.197 877 HB THR 120 HB THR 120 -17.795 10.161 3.088 878 HG1 THR 120 HG1 THR 120 -20.279 8.931 2.479 879 HG21 THR 120 HG21 THR 120 -19.939 10.631 1.011 880 HG22 THR 120 HG22 THR 120 -18.276 11.172 0.779 881 HG23 THR 120 HG23 THR 120 -19.224 11.794 2.128 882 H ALA 121 H ALA 121 -17.484 7.926 -0.892 883 HA ALA 121 HA ALA 121 -19.906 6.393 -1.214 884 HB1 ALA 121 HB1 ALA 121 -19.676 8.757 -3.053 885 HB2 ALA 121 HB2 ALA 121 -20.534 8.887 -1.518 886 HB3 ALA 121 HB3 ALA 121 -21.075 7.731 -2.734 887 H VAL 122 H VAL 122 -20.027 5.312 -3.283 888 HA VAL 122 HA VAL 122 -17.743 5.513 -5.066 889 HB VAL 122 HB VAL 122 -17.005 3.873 -3.365 890 HG11 VAL 122 HG11 VAL 122 -19.420 2.272 -4.257 891 HG12 VAL 122 HG12 VAL 122 -19.210 3.029 -2.678 892 HG13 VAL 122 HG13 VAL 122 -18.157 1.701 -3.166 893 HG21 VAL 122 HG21 VAL 122 -16.283 3.630 -5.735 894 HG22 VAL 122 HG22 VAL 122 -17.665 2.576 -6.033 895 HG23 VAL 122 HG23 VAL 122 -16.393 2.069 -4.921 896 H ALA 123 H ALA 123 -18.250 5.013 -7.162 897 HA ALA 123 HA ALA 123 -20.720 3.577 -7.764 898 HB1 ALA 123 HB1 ALA 123 -20.290 6.488 -8.350 899 HB2 ALA 123 HB2 ALA 123 -21.706 5.689 -7.668 900 HB3 ALA 123 HB3 ALA 123 -21.330 5.505 -9.381 901 H HIS 124 H HIS 124 -20.805 2.717 -9.806 902 HA HIS 124 HA HIS 124 -18.294 2.300 -11.093 903 HB2 HIS 124 HB2 HIS 124 -19.528 0.759 -12.560 904 HB3 HIS 124 HB3 HIS 124 -19.918 0.464 -10.864 905 HD2 HIS 124 HD2 HIS 124 -21.725 1.385 -14.155 906 HE1 HIS 124 HE1 HIS 124 -24.545 1.898 -11.057 907 HE2 HIS 124 HE2 HIS 124 -24.233 1.812 -13.576 908 H ARG 125 H ARG 125 -17.924 2.541 -13.368 909 HA ARG 125 HA ARG 125 -19.179 4.970 -14.495 910 HB2 ARG 125 HB2 ARG 125 -16.383 3.874 -14.872 911 HB3 ARG 125 HB3 ARG 125 -17.026 5.282 -15.709 912 HG2 ARG 125 HG2 ARG 125 -16.920 5.082 -12.687 913 HG3 ARG 125 HG3 ARG 125 -15.620 5.794 -13.647 914 HD2 ARG 125 HD2 ARG 125 -18.512 6.736 -13.610 915 HD3 ARG 125 HD3 ARG 125 -17.158 7.533 -12.813 916 HE ARG 125 HE ARG 125 -16.433 7.312 -15.487 917 HH11 ARG 125 HH11 ARG 125 -19.018 8.864 -13.682 918 HH12 ARG 125 HH12 ARG 125 -19.242 10.124 -14.849 919 HH21 ARG 125 HH21 ARG 125 -16.779 8.955 -17.000 920 HH22 ARG 125 HH22 ARG 125 -17.980 10.172 -16.718 921 HA PRO 126 HA PRO 126 -20.464 2.511 -18.023 922 HB2 PRO 126 HB2 PRO 126 -20.158 4.223 -20.120 923 HB3 PRO 126 HB3 PRO 126 -21.460 4.398 -18.923 924 HG2 PRO 126 HG2 PRO 126 -18.846 5.831 -19.087 925 HG3 PRO 126 HG3 PRO 126 -20.467 6.480 -18.759 926 HD2 PRO 126 HD2 PRO 126 -18.707 6.025 -16.763 927 HD3 PRO 126 HD3 PRO 126 -20.456 5.770 -16.537 928 H GLY 127 H GLY 127 -19.572 1.157 -19.601 929 HA2 GLY 127 HA2 GLY 127 -17.958 0.235 -21.014 930 HA3 GLY 127 HA3 GLY 127 -16.948 1.650 -20.729 931 H ALA 128 H ALA 128 -18.110 0.199 -17.846 932 HA ALA 128 HA ALA 128 -15.591 -0.339 -16.780 933 HB1 ALA 128 HB1 ALA 128 -17.630 -0.005 -15.429 934 HB2 ALA 128 HB2 ALA 128 -16.772 -1.479 -14.977 935 HB3 ALA 128 HB3 ALA 128 -18.229 -1.574 -15.968 936 H PHE 129 H PHE 129 -14.413 -2.169 -16.440 937 HA PHE 129 HA PHE 129 -14.596 -4.224 -18.459 938 HB2 PHE 129 HB2 PHE 129 -12.673 -3.679 -16.201 939 HB3 PHE 129 HB3 PHE 129 -12.555 -5.125 -17.204 940 HD1 PHE 129 HD1 PHE 129 -12.459 -1.402 -17.265 941 HD2 PHE 129 HD2 PHE 129 -11.738 -5.027 -19.459 942 HE1 PHE 129 HE1 PHE 129 -11.285 -0.107 -19.028 943 HE2 PHE 129 HE2 PHE 129 -10.566 -3.732 -21.217 944 HZ PHE 129 HZ PHE 129 -10.340 -1.274 -21.002 945 H LYS 130 H LYS 130 -14.920 -6.406 -18.173 946 HA LYS 130 HA LYS 130 -16.052 -7.230 -15.570 947 HB2 LYS 130 HB2 LYS 130 -17.412 -8.930 -17.113 948 HB3 LYS 130 HB3 LYS 130 -18.035 -7.330 -16.733 949 HG2 LYS 130 HG2 LYS 130 -17.555 -6.481 -18.882 950 HG3 LYS 130 HG3 LYS 130 -16.354 -7.719 -19.231 951 HD2 LYS 130 HD2 LYS 130 -18.145 -9.420 -19.340 952 HD3 LYS 130 HD3 LYS 130 -19.346 -8.173 -18.995 953 HE2 LYS 130 HE2 LYS 130 -18.754 -6.989 -21.051 954 HE3 LYS 130 HE3 LYS 130 -17.476 -8.159 -21.384 955 HZ1 LYS 130 HZ1 LYS 130 -19.761 -8.456 -22.498 956 HZ2 LYS 130 HZ2 LYS 130 -20.252 -9.064 -20.989 957 HZ3 LYS 130 HZ3 LYS 130 -18.990 -9.815 -21.844 958 H ALA 131 H ALA 131 -15.178 -9.009 -18.567 959 HA ALA 131 HA ALA 131 -13.951 -11.084 -16.961 960 HB1 ALA 131 HB1 ALA 131 -13.981 -12.400 -18.878 961 HB2 ALA 131 HB2 ALA 131 -13.792 -11.017 -19.956 962 HB3 ALA 131 HB3 ALA 131 -15.346 -11.326 -19.181 963 H GLU 132 H GLU 132 -12.327 -9.629 -16.044 964 HA GLU 132 HA GLU 132 -9.851 -9.730 -17.573 965 HB2 GLU 132 HB2 GLU 132 -10.810 -7.543 -18.201 966 HB3 GLU 132 HB3 GLU 132 -10.935 -7.106 -16.496 967 HG2 GLU 132 HG2 GLU 132 -8.908 -6.104 -17.469 968 HG3 GLU 132 HG3 GLU 132 -8.459 -7.319 -16.279 969 H LEU 133 H LEU 133 -8.052 -9.906 -16.299 970 HA LEU 133 HA LEU 133 -8.493 -10.016 -13.375 971 HB2 LEU 133 HB2 LEU 133 -6.543 -11.529 -13.283 972 HB3 LEU 133 HB3 LEU 133 -7.822 -12.158 -14.316 973 HG LEU 133 HG LEU 133 -6.361 -10.789 -16.209 974 HD11 LEU 133 HD11 LEU 133 -4.188 -11.918 -14.443 975 HD12 LEU 133 HD12 LEU 133 -4.680 -10.235 -14.313 976 HD13 LEU 133 HD13 LEU 133 -4.041 -10.849 -15.835 977 HD21 LEU 133 HD21 LEU 133 -5.756 -13.597 -15.203 978 HD22 LEU 133 HD22 LEU 133 -5.319 -12.968 -16.793 979 HD23 LEU 133 HD23 LEU 133 -7.017 -13.166 -16.359 980 H SER 134 H SER 134 -7.344 -8.723 -12.037 981 HA SER 134 HA SER 134 -4.878 -7.479 -12.831 982 HB2 SER 134 HB2 SER 134 -6.575 -6.113 -14.057 983 HB3 SER 134 HB3 SER 134 -7.293 -5.698 -12.507 984 HG SER 134 HG SER 134 -5.644 -4.422 -12.087 985 H LYS 135 H LYS 135 -4.364 -5.607 -11.201 986 HA LYS 135 HA LYS 135 -5.276 -6.368 -8.497 987 HB2 LYS 135 HB2 LYS 135 -2.977 -6.010 -7.662 988 HB3 LYS 135 HB3 LYS 135 -3.042 -7.344 -8.814 989 HG2 LYS 135 HG2 LYS 135 -2.249 -5.795 -10.597 990 HG3 LYS 135 HG3 LYS 135 -2.151 -4.497 -9.403 991 HD2 LYS 135 HD2 LYS 135 -0.525 -5.814 -8.098 992 HD3 LYS 135 HD3 LYS 135 -0.613 -7.109 -9.296 993 HE2 LYS 135 HE2 LYS 135 0.207 -5.563 -11.035 994 HE3 LYS 135 HE3 LYS 135 0.297 -4.268 -9.836 995 HZ1 LYS 135 HZ1 LYS 135 1.698 -6.826 -9.402 996 HZ2 LYS 135 HZ2 LYS 135 2.020 -5.302 -8.721 997 HZ3 LYS 135 HZ3 LYS 135 2.402 -5.609 -10.349 998 H LEU 136 H LEU 136 -5.354 -4.703 -6.966 999 HA LEU 136 HA LEU 136 -5.353 -1.980 -8.124 1000 HB2 LEU 136 HB2 LEU 136 -7.104 -3.397 -6.179 1001 HB3 LEU 136 HB3 LEU 136 -6.826 -1.684 -5.869 1002 HG LEU 136 HG LEU 136 -7.438 -1.367 -8.386 1003 HD11 LEU 136 HD11 LEU 136 -8.944 -3.948 -7.931 1004 HD12 LEU 136 HD12 LEU 136 -7.372 -3.924 -8.731 1005 HD13 LEU 136 HD13 LEU 136 -8.731 -3.054 -9.435 1006 HD21 LEU 136 HD21 LEU 136 -8.833 -0.785 -6.305 1007 HD22 LEU 136 HD22 LEU 136 -9.720 -2.278 -6.617 1008 HD23 LEU 136 HD23 LEU 136 -9.715 -0.986 -7.817 1009 H VAL 137 H VAL 137 -4.413 -0.294 -7.088 1010 HA VAL 137 HA VAL 137 -3.067 -0.749 -4.532 1011 HB VAL 137 HB VAL 137 -1.366 -1.174 -6.311 1012 HG11 VAL 137 HG11 VAL 137 -0.592 0.662 -7.731 1013 HG12 VAL 137 HG12 VAL 137 -1.857 1.708 -7.096 1014 HG13 VAL 137 HG13 VAL 137 -2.281 0.290 -8.057 1015 HG21 VAL 137 HG21 VAL 137 -0.842 1.453 -4.887 1016 HG22 VAL 137 HG22 VAL 137 0.349 0.244 -5.366 1017 HG23 VAL 137 HG23 VAL 137 -0.801 -0.114 -4.078 1018 H ILE 138 H ILE 138 -3.573 0.824 -3.176 1019 HA ILE 138 HA ILE 138 -4.430 3.444 -4.267 1020 HB ILE 138 HB ILE 138 -5.622 2.029 -1.855 1021 HG12 ILE 138 HG12 ILE 138 -7.702 2.049 -3.525 1022 HG13 ILE 138 HG13 ILE 138 -6.452 2.136 -4.770 1023 HG21 ILE 138 HG21 ILE 138 -5.840 4.408 -1.604 1024 HG22 ILE 138 HG22 ILE 138 -7.402 3.832 -2.185 1025 HG23 ILE 138 HG23 ILE 138 -6.282 4.615 -3.300 1026 HD11 ILE 138 HD11 ILE 138 -7.353 -0.201 -3.951 1027 HD12 ILE 138 HD12 ILE 138 -6.250 0.047 -2.601 1028 HD13 ILE 138 HD13 ILE 138 -5.631 0.006 -4.254 1029 H VAL 139 H VAL 139 -3.469 5.176 -3.470 1030 HA VAL 139 HA VAL 139 -1.992 4.986 -0.899 1031 HB VAL 139 HB VAL 139 -1.357 6.734 -3.318 1032 HG11 VAL 139 HG11 VAL 139 0.354 6.357 -0.846 1033 HG12 VAL 139 HG12 VAL 139 -0.839 7.650 -0.963 1034 HG13 VAL 139 HG13 VAL 139 0.502 7.584 -2.104 1035 HG21 VAL 139 HG21 VAL 139 0.595 5.331 -3.632 1036 HG22 VAL 139 HG22 VAL 139 -0.806 4.265 -3.537 1037 HG23 VAL 139 HG23 VAL 139 0.260 4.446 -2.145 1038 H ALA 140 H ALA 140 -2.925 6.147 0.651 1039 HA ALA 140 HA ALA 140 -4.525 8.522 -0.102 1040 HB1 ALA 140 HB1 ALA 140 -5.629 6.190 0.745 1041 HB2 ALA 140 HB2 ALA 140 -6.360 7.773 0.987 1042 HB3 ALA 140 HB3 ALA 140 -5.426 7.028 2.282 1043 H LYS 141 H LYS 141 -4.533 10.249 1.250 1044 HA LYS 141 HA LYS 141 -2.360 10.349 3.209 1045 HB2 LYS 141 HB2 LYS 141 -2.650 12.088 1.357 1046 HB3 LYS 141 HB3 LYS 141 -4.082 12.628 2.240 1047 HG2 LYS 141 HG2 LYS 141 -2.609 12.848 4.292 1048 HG3 LYS 141 HG3 LYS 141 -1.231 12.570 3.231 1049 HD2 LYS 141 HD2 LYS 141 -3.243 14.777 2.711 1050 HD3 LYS 141 HD3 LYS 141 -1.793 15.029 3.680 1051 HE2 LYS 141 HE2 LYS 141 -0.404 14.282 1.772 1052 HE3 LYS 141 HE3 LYS 141 -1.863 14.090 0.800 1053 HZ1 LYS 141 HZ1 LYS 141 -2.262 16.374 0.819 1054 HZ2 LYS 141 HZ2 LYS 141 -0.584 16.258 0.584 1055 HZ3 LYS 141 HZ3 LYS 141 -1.206 16.656 2.114 1056 H ALA 142 H ALA 142 -2.850 10.116 5.306 1057 HA ALA 142 HA ALA 142 -5.451 9.787 6.286 1058 HB1 ALA 142 HB1 ALA 142 -2.867 9.507 7.298 1059 HB2 ALA 142 HB2 ALA 142 -4.367 9.124 8.134 1060 HB3 ALA 142 HB3 ALA 142 -3.614 10.702 8.355 1061 H SER 143 H SER 143 -6.992 11.150 6.899 1062 HA SER 143 HA SER 143 -6.840 13.926 6.398 1063 HB2 SER 143 HB2 SER 143 -8.983 12.726 6.451 1064 HB3 SER 143 HB3 SER 143 -8.774 12.417 8.171 1065 HG SER 143 HG SER 143 -9.609 14.670 6.862 1066 H ARG 144 H ARG 144 -6.716 12.099 9.431 1067 HA ARG 144 HA ARG 144 -4.839 13.840 10.649 1068 HB2 ARG 144 HB2 ARG 144 -6.941 15.247 10.806 1069 HB3 ARG 144 HB3 ARG 144 -7.608 13.993 11.859 1070 HG2 ARG 144 HG2 ARG 144 -5.633 14.262 13.362 1071 HG3 ARG 144 HG3 ARG 144 -5.078 15.594 12.348 1072 HD2 ARG 144 HD2 ARG 144 -6.267 16.577 14.172 1073 HD3 ARG 144 HD3 ARG 144 -7.309 16.710 12.766 1074 HE ARG 144 HE ARG 144 -7.642 14.761 14.982 1075 HH11 ARG 144 HH11 ARG 144 -9.038 16.410 12.180 1076 HH12 ARG 144 HH12 ARG 144 -10.631 15.837 12.515 1077 HH21 ARG 144 HH21 ARG 144 -9.753 14.066 15.349 1078 HH22 ARG 144 HH22 ARG 144 -11.031 14.531 14.275 1079 H THR 145 H THR 145 -3.754 12.645 12.144 1080 HA THR 145 HA THR 145 -5.104 10.733 13.793 1081 HB THR 145 HB THR 145 -4.855 9.395 11.760 1082 HG1 THR 145 HG1 THR 145 -4.489 7.880 13.135 1083 HG21 THR 145 HG21 THR 145 -1.861 9.717 12.033 1084 HG22 THR 145 HG22 THR 145 -2.822 10.715 10.941 1085 HG23 THR 145 HG23 THR 145 -2.758 8.968 10.711 1086 H GLU 146 H GLU 146 -3.898 10.037 15.499 1087 HA GLU 146 HA GLU 146 -1.110 10.557 15.811 1088 HB2 GLU 146 HB2 GLU 146 -2.508 12.832 16.156 1089 HB3 GLU 146 HB3 GLU 146 -2.680 12.174 17.781 1090 HG2 GLU 146 HG2 GLU 146 0.051 12.261 16.492 1091 HG3 GLU 146 HG3 GLU 146 -0.614 13.714 17.229 1092 H LEU 147 H LEU 147 -3.008 8.370 16.131 1093 HA LEU 147 HA LEU 147 -2.745 7.788 19.021 1094 HB2 LEU 147 HB2 LEU 147 -4.768 6.839 16.986 1095 HB3 LEU 147 HB3 LEU 147 -4.593 6.116 18.584 1096 HG LEU 147 HG LEU 147 -5.059 9.085 18.175 1097 HD11 LEU 147 HD11 LEU 147 -6.932 7.687 17.247 1098 HD12 LEU 147 HD12 LEU 147 -7.412 8.680 18.624 1099 HD13 LEU 147 HD13 LEU 147 -7.115 6.956 18.842 1100 HD21 LEU 147 HD21 LEU 147 -4.168 8.581 20.364 1101 HD22 LEU 147 HD22 LEU 147 -5.231 7.185 20.539 1102 HD23 LEU 147 HD23 LEU 147 -5.904 8.814 20.575 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 13.495 16.136 12.525 2 H2 GLY 1 HT2 GLY 1 12.552 14.782 12.113 3 H3 GLY 1 HT3 GLY 1 13.377 15.649 10.905 4 HA2 GLY 1 HA2 GLY 1 14.808 13.916 11.142 5 HA3 GLY 1 HA3 GLY 1 15.460 15.029 12.346 6 H SER 2 H SER 2 14.979 11.923 12.004 7 HA SER 2 HA SER 2 14.166 11.493 14.813 8 HB2 SER 2 HB2 SER 2 13.365 9.802 12.435 9 HB3 SER 2 HB3 SER 2 13.059 9.397 14.119 10 HG SER 2 HG SER 2 11.283 10.470 13.119 11 H LYS 3 H LYS 3 15.094 9.681 15.853 12 HA LYS 3 HA LYS 3 17.824 9.202 15.285 13 HB2 LYS 3 HB2 LYS 3 15.850 7.782 17.084 14 HB3 LYS 3 HB3 LYS 3 17.549 7.318 16.976 15 HG2 LYS 3 HG2 LYS 3 17.529 8.820 18.787 16 HG3 LYS 3 HG3 LYS 3 18.053 9.836 17.443 17 HD2 LYS 3 HD2 LYS 3 15.920 10.856 17.228 18 HD3 LYS 3 HD3 LYS 3 15.126 9.599 18.176 19 HE2 LYS 3 HE2 LYS 3 15.345 11.594 19.549 20 HE3 LYS 3 HE3 LYS 3 16.424 10.350 20.179 21 HZ1 LYS 3 HZ1 LYS 3 17.349 12.364 18.221 22 HZ2 LYS 3 HZ2 LYS 3 18.279 11.387 19.255 23 HZ3 LYS 3 HZ3 LYS 3 17.368 12.674 19.887 24 H GLY 4 H GLY 4 14.892 7.358 14.618 25 HA2 GLY 4 HA2 GLY 4 16.135 5.954 12.424 26 HA3 GLY 4 HA3 GLY 4 15.737 4.916 13.792 27 H THR 5 H THR 5 14.478 4.277 11.540 28 HA THR 5 HA THR 5 11.722 5.303 11.914 29 HB THR 5 HB THR 5 11.343 4.982 9.496 30 HG1 THR 5 HG1 THR 5 14.083 4.294 9.579 31 HG21 THR 5 HG21 THR 5 12.117 7.184 10.418 32 HG22 THR 5 HG22 THR 5 12.562 6.923 8.731 33 HG23 THR 5 HG23 THR 5 13.768 6.722 10.002 34 H VAL 6 H VAL 6 10.026 3.813 11.527 35 HA VAL 6 HA VAL 6 10.801 0.974 11.381 36 HB VAL 6 HB VAL 6 9.192 0.417 13.179 37 HG11 VAL 6 HG11 VAL 6 11.394 2.373 13.883 38 HG12 VAL 6 HG12 VAL 6 11.525 0.617 13.777 39 HG13 VAL 6 HG13 VAL 6 10.566 1.354 15.062 40 HG21 VAL 6 HG21 VAL 6 9.026 3.442 13.466 41 HG22 VAL 6 HG22 VAL 6 8.418 2.300 14.666 42 HG23 VAL 6 HG23 VAL 6 7.701 2.352 13.056 43 H SER 7 H SER 7 9.123 -0.459 10.726 44 HA SER 7 HA SER 7 6.778 0.801 9.462 45 HB2 SER 7 HB2 SER 7 8.608 -1.229 8.164 46 HB3 SER 7 HB3 SER 7 7.069 -0.687 7.506 47 HG SER 7 HG SER 7 9.424 0.822 8.001 48 H GLU 8 H GLU 8 4.935 -0.532 9.306 49 HA GLU 8 HA GLU 8 5.101 -3.148 10.655 50 HB2 GLU 8 HB2 GLU 8 4.299 -1.366 12.251 51 HB3 GLU 8 HB3 GLU 8 2.900 -1.135 11.197 52 HG2 GLU 8 HG2 GLU 8 2.294 -3.511 11.476 53 HG3 GLU 8 HG3 GLU 8 3.689 -3.746 12.527 54 HA PRO 9 HA PRO 9 2.569 -3.334 6.658 55 HB2 PRO 9 HB2 PRO 9 4.034 -5.145 5.310 56 HB3 PRO 9 HB3 PRO 9 4.450 -3.416 5.303 57 HG2 PRO 9 HG2 PRO 9 5.630 -5.628 6.926 58 HG3 PRO 9 HG3 PRO 9 6.444 -4.325 6.041 59 HD2 PRO 9 HD2 PRO 9 6.027 -4.208 8.727 60 HD3 PRO 9 HD3 PRO 9 6.054 -2.754 7.701 61 H THR 10 H THR 10 1.113 -5.035 6.123 62 HA THR 10 HA THR 10 1.367 -7.538 7.656 63 HB THR 10 HB THR 10 -0.175 -5.948 8.814 64 HG1 THR 10 HG1 THR 10 -0.586 -8.050 9.195 65 HG21 THR 10 HG21 THR 10 -1.260 -5.595 6.163 66 HG22 THR 10 HG22 THR 10 -1.680 -4.751 7.651 67 HG23 THR 10 HG23 THR 10 -2.502 -6.248 7.225 68 H THR 11 H THR 11 0.384 -9.344 6.740 69 HA THR 11 HA THR 11 -0.403 -9.071 3.897 70 HB THR 11 HB THR 11 1.027 -11.408 5.217 71 HG1 THR 11 HG1 THR 11 2.787 -10.677 4.056 72 HG21 THR 11 HG21 THR 11 0.483 -10.915 2.276 73 HG22 THR 11 HG22 THR 11 -0.524 -11.953 3.286 74 HG23 THR 11 HG23 THR 11 1.169 -12.365 3.010 75 H VAL 12 H VAL 12 -2.465 -9.559 3.517 76 HA VAL 12 HA VAL 12 -3.773 -11.609 5.189 77 HB VAL 12 HB VAL 12 -5.009 -8.948 4.387 78 HG11 VAL 12 HG11 VAL 12 -6.611 -10.891 4.387 79 HG12 VAL 12 HG12 VAL 12 -6.987 -9.681 5.613 80 HG13 VAL 12 HG13 VAL 12 -6.190 -11.185 6.075 81 HG21 VAL 12 HG21 VAL 12 -5.151 -8.777 6.978 82 HG22 VAL 12 HG22 VAL 12 -3.567 -8.544 6.243 83 HG23 VAL 12 HG23 VAL 12 -3.968 -10.084 6.997 84 H ALA 13 H ALA 13 -4.867 -13.114 4.110 85 HA ALA 13 HA ALA 13 -5.240 -12.761 1.199 86 HB1 ALA 13 HB1 ALA 13 -5.044 -15.148 0.980 87 HB2 ALA 13 HB2 ALA 13 -5.053 -15.358 2.731 88 HB3 ALA 13 HB3 ALA 13 -3.682 -14.579 1.944 89 H PHE 14 H PHE 14 -7.180 -13.464 0.229 90 HA PHE 14 HA PHE 14 -9.366 -14.335 1.951 91 HB2 PHE 14 HB2 PHE 14 -10.878 -12.537 1.298 92 HB3 PHE 14 HB3 PHE 14 -9.440 -11.846 2.041 93 HD1 PHE 14 HD1 PHE 14 -11.408 -12.151 -1.019 94 HD2 PHE 14 HD2 PHE 14 -7.685 -10.764 0.608 95 HE1 PHE 14 HE1 PHE 14 -11.020 -10.800 -3.059 96 HE2 PHE 14 HE2 PHE 14 -7.303 -9.412 -1.444 97 HZ PHE 14 HZ PHE 14 -8.967 -9.432 -3.269 98 H ASP 15 H ASP 15 -11.297 -15.008 0.714 99 HA ASP 15 HA ASP 15 -10.488 -16.137 -1.883 100 HB2 ASP 15 HB2 ASP 15 -12.733 -16.972 -0.029 101 HB3 ASP 15 HB3 ASP 15 -12.262 -17.777 -1.526 102 H VAL 16 H VAL 16 -11.373 -15.453 -3.696 103 HA VAL 16 HA VAL 16 -13.729 -13.695 -3.617 104 HB VAL 16 HB VAL 16 -11.792 -14.332 -5.884 105 HG11 VAL 16 HG11 VAL 16 -14.217 -12.536 -5.715 106 HG12 VAL 16 HG12 VAL 16 -13.842 -13.749 -6.933 107 HG13 VAL 16 HG13 VAL 16 -12.940 -12.236 -6.894 108 HG21 VAL 16 HG21 VAL 16 -10.832 -12.174 -5.478 109 HG22 VAL 16 HG22 VAL 16 -10.960 -12.942 -3.895 110 HG23 VAL 16 HG23 VAL 16 -12.139 -11.724 -4.382 111 H ARG 17 H ARG 17 -15.586 -14.736 -3.709 112 HA ARG 17 HA ARG 17 -15.785 -17.178 -5.346 113 HB2 ARG 17 HB2 ARG 17 -17.344 -16.393 -2.875 114 HB3 ARG 17 HB3 ARG 17 -17.626 -17.852 -3.828 115 HG2 ARG 17 HG2 ARG 17 -15.380 -18.665 -3.365 116 HG3 ARG 17 HG3 ARG 17 -14.956 -17.156 -2.549 117 HD2 ARG 17 HD2 ARG 17 -15.476 -18.870 -0.896 118 HD3 ARG 17 HD3 ARG 17 -16.702 -17.603 -0.853 119 HE ARG 17 HE ARG 17 -17.483 -19.718 -2.619 120 HH11 ARG 17 HH11 ARG 17 -17.244 -18.949 0.802 121 HH12 ARG 17 HH12 ARG 17 -18.496 -20.055 1.261 122 HH21 ARG 17 HH21 ARG 17 -19.103 -21.155 -1.974 123 HH22 ARG 17 HH22 ARG 17 -19.541 -21.295 -0.303 124 HA PRO 18 HA PRO 18 -18.585 -14.480 -7.738 125 HB2 PRO 18 HB2 PRO 18 -19.146 -16.095 -9.772 126 HB3 PRO 18 HB3 PRO 18 -17.539 -15.359 -9.601 127 HG2 PRO 18 HG2 PRO 18 -18.435 -18.112 -8.858 128 HG3 PRO 18 HG3 PRO 18 -16.973 -17.612 -9.735 129 HD2 PRO 18 HD2 PRO 18 -16.927 -18.192 -7.081 130 HD3 PRO 18 HD3 PRO 18 -15.864 -16.955 -7.795 131 H GLY 19 H GLY 19 -20.809 -14.739 -8.773 132 HA2 GLY 19 HA2 GLY 19 -22.762 -16.484 -8.624 133 HA3 GLY 19 HA3 GLY 19 -22.581 -16.164 -6.903 134 H GLY 20 H GLY 20 -21.908 -13.392 -8.817 135 HA2 GLY 20 HA2 GLY 20 -23.063 -11.472 -9.324 136 HA3 GLY 20 HA3 GLY 20 -24.549 -12.408 -9.229 137 H VAL 21 H VAL 21 -22.332 -12.322 -6.530 138 HA VAL 21 HA VAL 21 -24.248 -10.659 -5.006 139 HB VAL 21 HB VAL 21 -22.392 -12.834 -3.985 140 HG11 VAL 21 HG11 VAL 21 -23.760 -12.547 -1.867 141 HG12 VAL 21 HG12 VAL 21 -24.429 -11.080 -2.583 142 HG13 VAL 21 HG13 VAL 21 -22.700 -11.189 -2.252 143 HG21 VAL 21 HG21 VAL 21 -24.586 -14.009 -3.479 144 HG22 VAL 21 HG22 VAL 21 -24.227 -13.855 -5.199 145 HG23 VAL 21 HG23 VAL 21 -25.394 -12.772 -4.442 146 H VAL 22 H VAL 22 -23.527 -8.816 -4.200 147 HA VAL 22 HA VAL 22 -20.818 -7.972 -4.702 148 HB VAL 22 HB VAL 22 -23.050 -6.581 -3.167 149 HG11 VAL 22 HG11 VAL 22 -21.737 -4.534 -3.482 150 HG12 VAL 22 HG12 VAL 22 -20.491 -5.438 -4.341 151 HG13 VAL 22 HG13 VAL 22 -20.766 -5.732 -2.624 152 HG21 VAL 22 HG21 VAL 22 -22.088 -6.087 -6.004 153 HG22 VAL 22 HG22 VAL 22 -23.499 -5.379 -5.216 154 HG23 VAL 22 HG23 VAL 22 -23.482 -7.097 -5.617 155 H HIS 23 H HIS 23 -19.176 -8.427 -3.470 156 HA HIS 23 HA HIS 23 -19.607 -9.017 -0.603 157 HB2 HIS 23 HB2 HIS 23 -17.388 -9.939 -2.442 158 HB3 HIS 23 HB3 HIS 23 -17.500 -10.301 -0.722 159 HD2 HIS 23 HD2 HIS 23 -18.702 -11.781 -4.031 160 HE1 HIS 23 HE1 HIS 23 -21.131 -13.527 -1.061 161 HE2 HIS 23 HE2 HIS 23 -20.442 -13.648 -3.497 162 H SER 24 H SER 24 -18.509 -7.938 0.894 163 HA SER 24 HA SER 24 -16.558 -5.898 0.002 164 HB2 SER 24 HB2 SER 24 -18.589 -5.703 2.237 165 HB3 SER 24 HB3 SER 24 -17.323 -4.519 1.913 166 HG SER 24 HG SER 24 -18.352 -3.904 0.130 167 H PHE 25 H PHE 25 -14.625 -6.019 0.858 168 HA PHE 25 HA PHE 25 -14.237 -7.470 3.404 169 HB2 PHE 25 HB2 PHE 25 -13.513 -8.846 1.412 170 HB3 PHE 25 HB3 PHE 25 -12.332 -7.586 1.045 171 HD1 PHE 25 HD1 PHE 25 -13.332 -10.177 3.491 172 HD2 PHE 25 HD2 PHE 25 -10.347 -7.283 2.410 173 HE1 PHE 25 HE1 PHE 25 -11.776 -11.161 5.151 174 HE2 PHE 25 HE2 PHE 25 -8.792 -8.272 4.074 175 HZ PHE 25 HZ PHE 25 -9.506 -10.209 5.440 176 H SER 26 H SER 26 -13.170 -6.300 4.883 177 HA SER 26 HA SER 26 -11.623 -3.956 3.952 178 HB2 SER 26 HB2 SER 26 -12.481 -2.666 5.784 179 HB3 SER 26 HB3 SER 26 -13.831 -3.358 4.893 180 HG SER 26 HG SER 26 -13.660 -3.547 7.360 181 H HIS 27 H HIS 27 -10.026 -3.167 5.431 182 HA HIS 27 HA HIS 27 -8.963 -5.203 7.288 183 HB2 HIS 27 HB2 HIS 27 -7.771 -5.210 5.062 184 HB3 HIS 27 HB3 HIS 27 -7.261 -3.555 5.407 185 HD2 HIS 27 HD2 HIS 27 -6.446 -7.199 6.559 186 HE1 HIS 27 HE1 HIS 27 -3.829 -4.600 8.606 187 HE2 HIS 27 HE2 HIS 27 -4.367 -7.032 8.123 188 H ASN 28 H ASN 28 -8.506 -4.426 9.236 189 HA ASN 28 HA ASN 28 -7.859 -1.582 9.585 190 HB2 ASN 28 HB2 ASN 28 -10.289 -1.792 9.903 191 HB3 ASN 28 HB3 ASN 28 -10.018 -3.007 11.155 192 HD21 ASN 28 HD21 ASN 28 -10.193 -2.090 13.199 193 HD22 ASN 28 HD22 ASN 28 -9.694 -0.521 13.611 194 H VAL 29 H VAL 29 -6.682 -1.096 11.424 195 HA VAL 29 HA VAL 29 -5.721 -3.365 13.056 196 HB VAL 29 HB VAL 29 -3.455 -2.327 13.053 197 HG11 VAL 29 HG11 VAL 29 -2.841 -3.129 10.823 198 HG12 VAL 29 HG12 VAL 29 -4.521 -3.013 10.298 199 HG13 VAL 29 HG13 VAL 29 -4.061 -4.189 11.527 200 HG21 VAL 29 HG21 VAL 29 -4.609 -0.030 12.150 201 HG22 VAL 29 HG22 VAL 29 -4.140 -0.706 10.599 202 HG23 VAL 29 HG23 VAL 29 -2.922 -0.415 11.837 203 H GLY 30 H GLY 30 -4.868 -2.754 15.176 204 HA2 GLY 30 HA2 GLY 30 -6.614 -1.076 16.579 205 HA3 GLY 30 HA3 GLY 30 -5.087 -1.689 17.211 206 HA PRO 31 HA PRO 31 -2.993 2.307 16.724 207 HB2 PRO 31 HB2 PRO 31 -1.577 1.547 14.204 208 HB3 PRO 31 HB3 PRO 31 -0.911 2.158 15.735 209 HG2 PRO 31 HG2 PRO 31 -0.602 -0.369 15.117 210 HG3 PRO 31 HG3 PRO 31 -1.054 0.087 16.775 211 HD2 PRO 31 HD2 PRO 31 -2.825 -0.996 14.590 212 HD3 PRO 31 HD3 PRO 31 -2.766 -1.442 16.316 213 H GLY 32 H GLY 32 -3.888 1.007 13.570 214 HA2 GLY 32 HA2 GLY 32 -4.736 3.618 12.542 215 HA3 GLY 32 HA3 GLY 32 -4.597 2.125 11.616 216 H ASP 33 H ASP 33 -6.251 2.433 14.725 217 HA ASP 33 HA ASP 33 -8.516 1.005 13.949 218 HB2 ASP 33 HB2 ASP 33 -9.570 1.870 16.007 219 HB3 ASP 33 HB3 ASP 33 -7.929 1.295 16.270 220 H LYS 34 H LYS 34 -7.845 4.432 13.683 221 HA LYS 34 HA LYS 34 -10.582 5.059 12.882 222 HB2 LYS 34 HB2 LYS 34 -8.113 6.772 13.140 223 HB3 LYS 34 HB3 LYS 34 -9.698 7.375 12.639 224 HG2 LYS 34 HG2 LYS 34 -10.666 6.534 14.736 225 HG3 LYS 34 HG3 LYS 34 -9.071 5.987 15.254 226 HD2 LYS 34 HD2 LYS 34 -8.218 8.302 15.103 227 HD3 LYS 34 HD3 LYS 34 -9.825 8.859 14.625 228 HE2 LYS 34 HE2 LYS 34 -9.190 7.457 17.239 229 HE3 LYS 34 HE3 LYS 34 -9.400 9.198 17.057 230 HZ1 LYS 34 HZ1 LYS 34 -11.646 8.790 16.229 231 HZ2 LYS 34 HZ2 LYS 34 -11.443 8.161 17.794 232 HZ3 LYS 34 HZ3 LYS 34 -11.438 7.122 16.450 233 H TYR 35 H TYR 35 -7.946 3.753 11.321 234 HA TYR 35 HA TYR 35 -8.780 4.902 8.701 235 HB2 TYR 35 HB2 TYR 35 -5.984 4.036 9.504 236 HB3 TYR 35 HB3 TYR 35 -6.458 4.647 7.920 237 HD1 TYR 35 HD1 TYR 35 -5.550 5.525 11.323 238 HD2 TYR 35 HD2 TYR 35 -7.348 7.016 7.717 239 HE1 TYR 35 HE1 TYR 35 -5.256 7.845 12.138 240 HE2 TYR 35 HE2 TYR 35 -7.050 9.340 8.536 241 HH TYR 35 HH TYR 35 -6.501 10.139 11.635 242 H THR 36 H THR 36 -9.413 3.466 7.166 243 HA THR 36 HA THR 36 -8.564 0.637 7.406 244 HB THR 36 HB THR 36 -10.796 -0.219 7.109 245 HG1 THR 36 HG1 THR 36 -12.457 1.035 6.607 246 HG21 THR 36 HG21 THR 36 -10.018 0.708 9.450 247 HG22 THR 36 HG22 THR 36 -11.692 0.202 9.211 248 HG23 THR 36 HG23 THR 36 -11.274 1.913 9.155 249 H CYS 37 H CYS 37 -9.014 -0.645 5.501 250 HA CYS 37 HA CYS 37 -9.333 0.916 3.012 251 HB2 CYS 37 HB2 CYS 37 -7.523 -1.490 3.464 252 HB3 CYS 37 HB3 CYS 37 -7.932 -0.859 1.870 253 H MET 38 H MET 38 -11.087 0.338 1.897 254 HA MET 38 HA MET 38 -12.347 -2.268 2.497 255 HB2 MET 38 HB2 MET 38 -13.632 0.350 1.734 256 HB3 MET 38 HB3 MET 38 -14.487 -1.187 1.865 257 HG2 MET 38 HG2 MET 38 -13.745 -1.403 4.195 258 HG3 MET 38 HG3 MET 38 -12.936 0.157 4.082 259 HE1 MET 38 HE1 MET 38 -14.351 0.616 6.295 260 HE2 MET 38 HE2 MET 38 -15.268 -0.879 6.137 261 HE3 MET 38 HE3 MET 38 -16.121 0.647 6.360 262 H PHE 39 H PHE 39 -13.077 -3.534 0.926 263 HA PHE 39 HA PHE 39 -12.722 -2.631 -1.865 264 HB2 PHE 39 HB2 PHE 39 -11.866 -5.374 -0.881 265 HB3 PHE 39 HB3 PHE 39 -11.672 -4.724 -2.505 266 HD1 PHE 39 HD1 PHE 39 -9.970 -5.291 0.509 267 HD2 PHE 39 HD2 PHE 39 -10.437 -2.285 -2.532 268 HE1 PHE 39 HE1 PHE 39 -7.814 -4.267 1.184 269 HE2 PHE 39 HE2 PHE 39 -8.281 -1.270 -1.855 270 HZ PHE 39 HZ PHE 39 -6.970 -2.260 0.001 271 H THR 40 H THR 40 -14.673 -2.631 -2.716 272 HA THR 40 HA THR 40 -16.532 -4.865 -2.108 273 HB THR 40 HB THR 40 -17.187 -2.037 -3.014 274 HG1 THR 40 HG1 THR 40 -17.196 -1.617 -0.968 275 HG21 THR 40 HG21 THR 40 -18.970 -4.352 -2.186 276 HG22 THR 40 HG22 THR 40 -18.857 -3.649 -3.800 277 HG23 THR 40 HG23 THR 40 -19.528 -2.703 -2.471 278 H TYR 41 H TYR 41 -17.083 -6.183 -3.760 279 HA TYR 41 HA TYR 41 -17.067 -5.258 -6.517 280 HB2 TYR 41 HB2 TYR 41 -15.457 -6.968 -7.298 281 HB3 TYR 41 HB3 TYR 41 -14.705 -5.795 -6.219 282 HD1 TYR 41 HD1 TYR 41 -15.955 -9.265 -6.513 283 HD2 TYR 41 HD2 TYR 41 -13.925 -6.430 -4.006 284 HE1 TYR 41 HE1 TYR 41 -15.264 -11.099 -4.996 285 HE2 TYR 41 HE2 TYR 41 -13.232 -8.265 -2.489 286 HH TYR 41 HH TYR 41 -14.033 -10.565 -1.903 287 H ALA 42 H ALA 42 -17.800 -6.888 -8.058 288 HA ALA 42 HA ALA 42 -19.386 -9.081 -6.864 289 HB1 ALA 42 HB1 ALA 42 -21.066 -8.620 -8.718 290 HB2 ALA 42 HB2 ALA 42 -20.226 -7.092 -8.981 291 HB3 ALA 42 HB3 ALA 42 -21.006 -7.414 -7.433 292 H SER 43 H SER 43 -19.299 -11.036 -7.974 293 HA SER 43 HA SER 43 -17.807 -11.076 -10.525 294 HB2 SER 43 HB2 SER 43 -17.277 -12.889 -8.168 295 HB3 SER 43 HB3 SER 43 -16.545 -13.023 -9.765 296 HG SER 43 HG SER 43 -15.196 -11.840 -8.393 297 H GLN 44 H GLN 44 -18.080 -12.929 -11.810 298 HA GLN 44 HA GLN 44 -20.418 -14.615 -11.201 299 HB2 GLN 44 HB2 GLN 44 -21.057 -12.743 -12.753 300 HB3 GLN 44 HB3 GLN 44 -19.889 -13.376 -13.916 301 HG2 GLN 44 HG2 GLN 44 -22.114 -14.236 -14.461 302 HG3 GLN 44 HG3 GLN 44 -21.096 -15.560 -13.894 303 HE21 GLN 44 HE21 GLN 44 -22.291 -16.920 -12.567 304 HE22 GLN 44 HE22 GLN 44 -23.450 -16.412 -11.435 305 H GLY 45 H GLY 45 -20.047 -16.719 -11.529 306 HA2 GLY 45 HA2 GLY 45 -18.736 -18.052 -13.515 307 HA3 GLY 45 HA3 GLY 45 -17.459 -17.638 -12.365 308 H GLY 46 H GLY 46 -17.571 -20.177 -12.479 309 HA2 GLY 46 HA2 GLY 46 -19.462 -21.142 -10.411 310 HA3 GLY 46 HA3 GLY 46 -18.790 -22.146 -11.689 311 H THR 47 H THR 47 -16.241 -20.243 -10.671 312 HA THR 47 HA THR 47 -15.438 -22.133 -8.564 313 HB THR 47 HB THR 47 -13.176 -22.003 -9.505 314 HG1 THR 47 HG1 THR 47 -12.958 -21.143 -11.597 315 HG21 THR 47 HG21 THR 47 -14.374 -23.946 -10.129 316 HG22 THR 47 HG22 THR 47 -13.727 -23.315 -11.643 317 HG23 THR 47 HG23 THR 47 -15.417 -23.041 -11.225 318 H ASN 48 H ASN 48 -13.931 -21.368 -7.042 319 HA ASN 48 HA ASN 48 -14.134 -18.510 -6.529 320 HB2 ASN 48 HB2 ASN 48 -13.242 -19.062 -4.309 321 HB3 ASN 48 HB3 ASN 48 -14.635 -20.070 -4.705 322 HD21 ASN 48 HD21 ASN 48 -13.710 -21.606 -3.041 323 HD22 ASN 48 HD22 ASN 48 -12.469 -22.667 -3.504 324 H GLU 49 H GLU 49 -11.978 -17.665 -5.349 325 HA GLU 49 HA GLU 49 -9.560 -18.554 -6.694 326 HB2 GLU 49 HB2 GLU 49 -10.598 -16.925 -8.265 327 HB3 GLU 49 HB3 GLU 49 -10.561 -15.715 -6.982 328 HG2 GLU 49 HG2 GLU 49 -8.638 -15.427 -8.469 329 HG3 GLU 49 HG3 GLU 49 -8.091 -15.914 -6.866 330 H GLN 50 H GLN 50 -7.675 -17.794 -5.718 331 HA GLN 50 HA GLN 50 -8.055 -16.759 -2.982 332 HB2 GLN 50 HB2 GLN 50 -5.806 -18.369 -4.202 333 HB3 GLN 50 HB3 GLN 50 -5.767 -17.691 -2.572 334 HG2 GLN 50 HG2 GLN 50 -7.808 -18.939 -1.992 335 HG3 GLN 50 HG3 GLN 50 -7.868 -19.611 -3.620 336 HE21 GLN 50 HE21 GLN 50 -7.479 -21.825 -3.058 337 HE22 GLN 50 HE22 GLN 50 -6.031 -22.355 -2.350 338 H TRP 51 H TRP 51 -7.259 -14.859 -2.414 339 HA TRP 51 HA TRP 51 -5.400 -13.464 -4.237 340 HB2 TRP 51 HB2 TRP 51 -7.882 -12.372 -2.916 341 HB3 TRP 51 HB3 TRP 51 -6.647 -11.359 -3.656 342 HD1 TRP 51 HD1 TRP 51 -8.963 -14.319 -4.641 343 HE1 TRP 51 HE1 TRP 51 -9.570 -14.046 -7.131 344 HE3 TRP 51 HE3 TRP 51 -6.172 -10.191 -5.808 345 HZ2 TRP 51 HZ2 TRP 51 -8.964 -12.324 -9.320 346 HZ3 TRP 51 HZ3 TRP 51 -6.215 -9.255 -8.106 347 HH2 TRP 51 HH2 TRP 51 -7.612 -10.315 -9.863 348 H GLN 52 H GLN 52 -3.907 -12.094 -3.341 349 HA GLN 52 HA GLN 52 -3.579 -12.264 -0.402 350 HB2 GLN 52 HB2 GLN 52 -1.431 -11.831 -2.505 351 HB3 GLN 52 HB3 GLN 52 -1.181 -11.945 -0.770 352 HG2 GLN 52 HG2 GLN 52 -2.341 -14.164 -2.486 353 HG3 GLN 52 HG3 GLN 52 -0.678 -14.100 -1.908 354 HE21 GLN 52 HE21 GLN 52 -3.239 -15.861 -1.262 355 HE22 GLN 52 HE22 GLN 52 -3.206 -15.934 0.435 356 H MET 53 H MET 53 -3.089 -10.409 0.747 357 HA MET 53 HA MET 53 -3.070 -7.863 -0.741 358 HB2 MET 53 HB2 MET 53 -4.702 -8.493 1.719 359 HB3 MET 53 HB3 MET 53 -4.439 -6.866 1.088 360 HG2 MET 53 HG2 MET 53 -5.348 -7.666 -1.112 361 HG3 MET 53 HG3 MET 53 -5.790 -9.171 -0.308 362 HE1 MET 53 HE1 MET 53 -8.501 -8.884 1.671 363 HE2 MET 53 HE2 MET 53 -7.419 -7.999 2.739 364 HE3 MET 53 HE3 MET 53 -6.791 -9.329 1.777 365 H SER 54 H SER 54 -1.817 -6.270 0.059 366 HA SER 54 HA SER 54 -0.382 -6.735 2.574 367 HB2 SER 54 HB2 SER 54 1.110 -7.615 0.852 368 HB3 SER 54 HB3 SER 54 0.964 -6.116 -0.059 369 HG SER 54 HG SER 54 2.488 -5.360 1.169 370 H LEU 55 H LEU 55 -0.384 -4.948 3.800 371 HA LEU 55 HA LEU 55 -0.451 -2.326 2.441 372 HB2 LEU 55 HB2 LEU 55 -2.132 -1.495 4.023 373 HB3 LEU 55 HB3 LEU 55 -2.774 -2.767 2.990 374 HG LEU 55 HG LEU 55 -1.579 -3.623 5.631 375 HD11 LEU 55 HD11 LEU 55 -4.431 -2.635 5.617 376 HD12 LEU 55 HD12 LEU 55 -3.107 -1.529 5.972 377 HD13 LEU 55 HD13 LEU 55 -3.357 -2.947 6.982 378 HD21 LEU 55 HD21 LEU 55 -2.457 -5.359 4.194 379 HD22 LEU 55 HD22 LEU 55 -3.954 -4.467 3.927 380 HD23 LEU 55 HD23 LEU 55 -3.613 -5.161 5.511 381 H GLY 56 H GLY 56 0.483 -0.641 3.534 382 HA2 GLY 56 HA2 GLY 56 1.689 -1.157 6.158 383 HA3 GLY 56 HA3 GLY 56 2.756 -0.732 4.819 384 H THR 57 H THR 57 2.234 0.715 7.301 385 HA THR 57 HA THR 57 1.377 3.286 6.132 386 HB THR 57 HB THR 57 0.303 3.886 8.262 387 HG1 THR 57 HG1 THR 57 0.460 2.635 9.952 388 HG21 THR 57 HG21 THR 57 -0.696 1.240 7.167 389 HG22 THR 57 HG22 THR 57 -1.068 2.827 6.497 390 HG23 THR 57 HG23 THR 57 -1.647 2.392 8.104 391 H SER 58 H SER 58 2.318 5.146 7.131 392 HA SER 58 HA SER 58 5.075 4.845 7.806 393 HB2 SER 58 HB2 SER 58 4.296 6.853 6.675 394 HB3 SER 58 HB3 SER 58 3.232 7.234 8.027 395 HG SER 58 HG SER 58 4.895 8.138 8.938 396 H GLU 59 H GLU 59 6.126 5.342 9.811 397 HA GLU 59 HA GLU 59 4.952 4.199 12.093 398 HB2 GLU 59 HB2 GLU 59 6.858 5.136 13.351 399 HB3 GLU 59 HB3 GLU 59 7.394 4.415 11.835 400 HG2 GLU 59 HG2 GLU 59 7.462 6.642 10.778 401 HG3 GLU 59 HG3 GLU 59 6.881 7.383 12.267 402 H ASP 60 H ASP 60 4.813 7.457 10.873 403 HA ASP 60 HA ASP 60 3.516 8.473 13.300 404 HB2 ASP 60 HB2 ASP 60 5.289 9.777 11.964 405 HB3 ASP 60 HB3 ASP 60 4.006 10.048 10.781 406 H HIS 61 H HIS 61 2.560 6.793 10.587 407 HA HIS 61 HA HIS 61 0.568 6.366 9.571 408 HB2 HIS 61 HB2 HIS 61 -0.522 7.877 11.965 409 HB3 HIS 61 HB3 HIS 61 -1.509 6.967 10.818 410 HD2 HIS 61 HD2 HIS 61 1.439 6.161 13.372 411 HE1 HIS 61 HE1 HIS 61 -0.767 2.632 12.655 412 HE2 HIS 61 HE2 HIS 61 1.126 3.648 14.011 413 H GLN 62 H GLN 62 2.101 8.772 8.900 414 HA GLN 62 HA GLN 62 0.250 10.868 8.232 415 HB2 GLN 62 HB2 GLN 62 2.151 11.855 6.996 416 HB3 GLN 62 HB3 GLN 62 2.592 11.416 8.647 417 HG2 GLN 62 HG2 GLN 62 3.615 9.341 7.846 418 HG3 GLN 62 HG3 GLN 62 3.134 9.725 6.194 419 HE21 GLN 62 HE21 GLN 62 5.784 9.783 8.165 420 HE22 GLN 62 HE22 GLN 62 6.623 11.093 7.490 421 H HIS 63 H HIS 63 1.452 7.988 6.651 422 HA HIS 63 HA HIS 63 -0.364 8.524 4.400 423 HB2 HIS 63 HB2 HIS 63 2.461 7.477 4.138 424 HB3 HIS 63 HB3 HIS 63 1.267 7.483 2.839 425 HD2 HIS 63 HD2 HIS 63 3.979 9.780 4.126 426 HE1 HIS 63 HE1 HIS 63 1.252 12.278 2.094 427 HE2 HIS 63 HE2 HIS 63 3.581 12.147 3.103 428 H PHE 64 H PHE 64 -1.430 6.786 3.560 429 HA PHE 64 HA PHE 64 -1.019 4.162 4.881 430 HB2 PHE 64 HB2 PHE 64 -3.627 5.509 4.127 431 HB3 PHE 64 HB3 PHE 64 -3.489 3.841 4.684 432 HD1 PHE 64 HD1 PHE 64 -2.923 7.390 5.635 433 HD2 PHE 64 HD2 PHE 64 -3.210 3.332 7.007 434 HE1 PHE 64 HE1 PHE 64 -2.957 8.184 7.977 435 HE2 PHE 64 HE2 PHE 64 -3.244 4.128 9.356 436 HZ PHE 64 HZ PHE 64 -3.123 6.556 9.841 437 H THR 65 H THR 65 -0.866 2.419 3.536 438 HA THR 65 HA THR 65 -1.745 2.728 0.731 439 HB THR 65 HB THR 65 0.295 1.534 -0.023 440 HG1 THR 65 HG1 THR 65 1.813 0.984 1.378 441 HG21 THR 65 HG21 THR 65 0.072 4.082 0.113 442 HG22 THR 65 HG22 THR 65 1.711 3.439 0.013 443 HG23 THR 65 HG23 THR 65 1.071 3.982 1.563 444 H CYS 66 H CYS 66 -2.854 1.067 -0.066 445 HA CYS 66 HA CYS 66 -2.672 -1.574 1.245 446 HB2 CYS 66 HB2 CYS 66 -5.230 -0.136 0.482 447 HB3 CYS 66 HB3 CYS 66 -5.137 -1.849 0.908 448 H THR 67 H THR 67 -2.467 -3.258 -0.137 449 HA THR 67 HA THR 67 -3.007 -2.777 -3.010 450 HB THR 67 HB THR 67 -0.585 -4.193 -1.883 451 HG1 THR 67 HG1 THR 67 0.315 -2.307 -1.928 452 HG21 THR 67 HG21 THR 67 -0.863 -3.272 -4.728 453 HG22 THR 67 HG22 THR 67 -1.617 -4.795 -4.262 454 HG23 THR 67 HG23 THR 67 0.120 -4.579 -4.076 455 H ILE 68 H ILE 68 -3.920 -4.349 -4.153 456 HA ILE 68 HA ILE 68 -4.441 -6.958 -2.846 457 HB ILE 68 HB ILE 68 -6.528 -5.626 -4.566 458 HG12 ILE 68 HG12 ILE 68 -7.535 -5.031 -2.090 459 HG13 ILE 68 HG13 ILE 68 -5.809 -4.917 -1.716 460 HG21 ILE 68 HG21 ILE 68 -7.991 -7.190 -3.714 461 HG22 ILE 68 HG22 ILE 68 -7.095 -7.406 -2.217 462 HG23 ILE 68 HG23 ILE 68 -6.497 -8.120 -3.713 463 HD11 ILE 68 HD11 ILE 68 -5.693 -3.433 -3.871 464 HD12 ILE 68 HD12 ILE 68 -6.314 -2.737 -2.379 465 HD13 ILE 68 HD13 ILE 68 -7.432 -3.267 -3.635 466 H TRP 69 H TRP 69 -3.810 -8.632 -4.080 467 HA TRP 69 HA TRP 69 -4.406 -8.707 -6.919 468 HB2 TRP 69 HB2 TRP 69 -2.144 -8.986 -7.759 469 HB3 TRP 69 HB3 TRP 69 -2.217 -7.470 -6.870 470 HD1 TRP 69 HD1 TRP 69 -0.463 -10.767 -6.972 471 HE1 TRP 69 HE1 TRP 69 1.216 -10.945 -5.027 472 HE3 TRP 69 HE3 TRP 69 -1.878 -6.719 -4.244 473 HZ2 TRP 69 HZ2 TRP 69 1.866 -9.558 -2.625 474 HZ3 TRP 69 HZ3 TRP 69 -0.713 -6.163 -2.112 475 HH2 TRP 69 HH2 TRP 69 1.155 -7.591 -1.307 476 H ARG 70 H ARG 70 -3.790 -10.859 -7.909 477 HA ARG 70 HA ARG 70 -4.334 -12.980 -5.972 478 HB2 ARG 70 HB2 ARG 70 -4.750 -14.407 -7.870 479 HB3 ARG 70 HB3 ARG 70 -5.486 -12.850 -8.233 480 HG2 ARG 70 HG2 ARG 70 -3.427 -12.226 -9.517 481 HG3 ARG 70 HG3 ARG 70 -2.824 -13.861 -9.195 482 HD2 ARG 70 HD2 ARG 70 -3.840 -13.812 -11.402 483 HD3 ARG 70 HD3 ARG 70 -4.851 -14.772 -10.323 484 HE ARG 70 HE ARG 70 -6.504 -13.130 -10.501 485 HH11 ARG 70 HH11 ARG 70 -3.493 -11.898 -11.840 486 HH12 ARG 70 HH12 ARG 70 -4.231 -10.471 -12.489 487 HH21 ARG 70 HH21 ARG 70 -7.405 -11.258 -11.358 488 HH22 ARG 70 HH22 ARG 70 -6.426 -10.114 -12.211 489 HA PRO 71 HA PRO 71 -0.075 -14.389 -5.682 490 HB2 PRO 71 HB2 PRO 71 -0.329 -16.922 -4.934 491 HB3 PRO 71 HB3 PRO 71 -0.945 -15.598 -3.915 492 HG2 PRO 71 HG2 PRO 71 -2.454 -17.303 -5.857 493 HG3 PRO 71 HG3 PRO 71 -2.852 -16.938 -4.156 494 HD2 PRO 71 HD2 PRO 71 -3.952 -15.635 -6.265 495 HD3 PRO 71 HD3 PRO 71 -3.661 -14.838 -4.697 496 H GLN 72 H GLN 72 -2.170 -16.585 -7.593 497 HA GLN 72 HA GLN 72 -0.129 -18.098 -8.818 498 HB2 GLN 72 HB2 GLN 72 -2.987 -17.570 -9.635 499 HB3 GLN 72 HB3 GLN 72 -1.925 -18.688 -10.495 500 HG2 GLN 72 HG2 GLN 72 -1.643 -20.055 -8.531 501 HG3 GLN 72 HG3 GLN 72 -2.476 -18.872 -7.520 502 HE21 GLN 72 HE21 GLN 72 -3.224 -21.749 -8.041 503 HE22 GLN 72 HE22 GLN 72 -4.798 -21.696 -8.674 504 H GLY 73 H GLY 73 -1.763 -15.195 -9.829 505 HA2 GLY 73 HA2 GLY 73 -0.662 -13.499 -11.146 506 HA3 GLY 73 HA3 GLY 73 0.233 -14.783 -11.958 507 H LYS 74 H LYS 74 -2.542 -16.302 -11.918 508 HA LYS 74 HA LYS 74 -3.914 -14.785 -14.022 509 HB2 LYS 74 HB2 LYS 74 -3.221 -17.713 -14.369 510 HB3 LYS 74 HB3 LYS 74 -4.017 -16.653 -15.532 511 HG2 LYS 74 HG2 LYS 74 -1.827 -15.199 -15.314 512 HG3 LYS 74 HG3 LYS 74 -1.127 -16.675 -14.659 513 HD2 LYS 74 HD2 LYS 74 -0.660 -16.783 -16.986 514 HD3 LYS 74 HD3 LYS 74 -2.033 -17.866 -16.748 515 HE2 LYS 74 HE2 LYS 74 -3.583 -16.212 -17.546 516 HE3 LYS 74 HE3 LYS 74 -2.333 -14.965 -17.550 517 HZ1 LYS 74 HZ1 LYS 74 -1.256 -15.960 -19.352 518 HZ2 LYS 74 HZ2 LYS 74 -2.904 -16.059 -19.755 519 HZ3 LYS 74 HZ3 LYS 74 -2.085 -17.428 -19.171 520 H SER 75 H SER 75 -5.983 -14.637 -13.527 521 HA SER 75 HA SER 75 -7.314 -16.870 -12.101 522 HB2 SER 75 HB2 SER 75 -7.777 -13.888 -11.894 523 HB3 SER 75 HB3 SER 75 -8.938 -15.064 -11.297 524 HG SER 75 HG SER 75 -7.101 -15.943 -10.080 525 H TYR 76 H TYR 76 -9.127 -17.732 -13.047 526 HA TYR 76 HA TYR 76 -10.073 -16.415 -15.534 527 HB2 TYR 76 HB2 TYR 76 -10.039 -19.354 -14.799 528 HB3 TYR 76 HB3 TYR 76 -10.802 -18.692 -16.249 529 HD1 TYR 76 HD1 TYR 76 -7.605 -19.364 -14.546 530 HD2 TYR 76 HD2 TYR 76 -9.465 -17.762 -18.069 531 HE1 TYR 76 HE1 TYR 76 -5.413 -19.376 -15.708 532 HE2 TYR 76 HE2 TYR 76 -7.276 -17.772 -19.232 533 HH TYR 76 HH TYR 76 -5.093 -19.038 -19.027 534 H LEU 77 H LEU 77 -11.548 -15.119 -14.445 535 HA LEU 77 HA LEU 77 -14.070 -16.458 -13.842 536 HB2 LEU 77 HB2 LEU 77 -12.692 -14.511 -11.991 537 HB3 LEU 77 HB3 LEU 77 -14.414 -14.880 -11.886 538 HG LEU 77 HG LEU 77 -12.281 -17.036 -11.792 539 HD11 LEU 77 HD11 LEU 77 -11.984 -15.381 -9.936 540 HD12 LEU 77 HD12 LEU 77 -12.473 -16.975 -9.359 541 HD13 LEU 77 HD13 LEU 77 -13.656 -15.672 -9.456 542 HD21 LEU 77 HD21 LEU 77 -14.059 -18.400 -10.885 543 HD22 LEU 77 HD22 LEU 77 -14.725 -17.621 -12.312 544 HD23 LEU 77 HD23 LEU 77 -15.121 -17.008 -10.710 545 H TYR 78 H TYR 78 -15.918 -15.164 -14.210 546 HA TYR 78 HA TYR 78 -15.408 -12.834 -15.933 547 HB2 TYR 78 HB2 TYR 78 -16.946 -14.665 -16.714 548 HB3 TYR 78 HB3 TYR 78 -18.036 -14.250 -15.388 549 HD1 TYR 78 HD1 TYR 78 -16.452 -12.989 -18.504 550 HD2 TYR 78 HD2 TYR 78 -19.432 -12.297 -15.490 551 HE1 TYR 78 HE1 TYR 78 -17.424 -11.170 -19.883 552 HE2 TYR 78 HE2 TYR 78 -20.405 -10.478 -16.868 553 HH TYR 78 HH TYR 78 -19.198 -8.859 -18.885 554 H PHE 79 H PHE 79 -14.963 -11.194 -14.533 555 HA PHE 79 HA PHE 79 -16.451 -10.796 -12.097 556 HB2 PHE 79 HB2 PHE 79 -14.321 -9.152 -13.467 557 HB3 PHE 79 HB3 PHE 79 -15.048 -8.724 -11.917 558 HD1 PHE 79 HD1 PHE 79 -12.769 -10.998 -13.664 559 HD2 PHE 79 HD2 PHE 79 -14.714 -10.154 -9.929 560 HE1 PHE 79 HE1 PHE 79 -11.199 -12.524 -12.502 561 HE2 PHE 79 HE2 PHE 79 -13.146 -11.681 -8.767 562 HZ PHE 79 HZ PHE 79 -11.387 -12.865 -10.053 563 H THR 80 H THR 80 -18.070 -9.417 -11.689 564 HA THR 80 HA THR 80 -19.456 -8.154 -13.877 565 HB THR 80 HB THR 80 -19.934 -7.936 -10.885 566 HG1 THR 80 HG1 THR 80 -20.804 -9.821 -11.094 567 HG21 THR 80 HG21 THR 80 -21.078 -6.122 -11.936 568 HG22 THR 80 HG22 THR 80 -22.296 -7.379 -11.716 569 HG23 THR 80 HG23 THR 80 -21.566 -7.128 -13.302 570 H GLN 81 H GLN 81 -17.496 -7.092 -11.129 571 HA GLN 81 HA GLN 81 -16.233 -4.980 -12.372 572 HB2 GLN 81 HB2 GLN 81 -17.344 -2.981 -11.379 573 HB3 GLN 81 HB3 GLN 81 -18.350 -3.784 -12.582 574 HG2 GLN 81 HG2 GLN 81 -19.502 -4.993 -10.690 575 HG3 GLN 81 HG3 GLN 81 -18.573 -4.001 -9.562 576 HE21 GLN 81 HE21 GLN 81 -21.581 -4.148 -10.866 577 HE22 GLN 81 HE22 GLN 81 -21.957 -2.494 -10.938 578 H PHE 82 H PHE 82 -15.240 -3.406 -10.725 579 HA PHE 82 HA PHE 82 -15.002 -4.630 -8.067 580 HB2 PHE 82 HB2 PHE 82 -12.549 -4.508 -8.160 581 HB3 PHE 82 HB3 PHE 82 -13.227 -5.607 -9.360 582 HD1 PHE 82 HD1 PHE 82 -11.581 -2.346 -8.841 583 HD2 PHE 82 HD2 PHE 82 -13.120 -5.103 -11.752 584 HE1 PHE 82 HE1 PHE 82 -10.458 -1.068 -10.644 585 HE2 PHE 82 HE2 PHE 82 -11.996 -3.826 -13.556 586 HZ PHE 82 HZ PHE 82 -10.668 -1.806 -13.001 587 H LYS 83 H LYS 83 -14.371 -3.238 -6.417 588 HA LYS 83 HA LYS 83 -13.815 -0.455 -7.113 589 HB2 LYS 83 HB2 LYS 83 -16.128 -1.200 -5.300 590 HB3 LYS 83 HB3 LYS 83 -15.624 0.432 -5.757 591 HG2 LYS 83 HG2 LYS 83 -15.995 -0.314 -8.202 592 HG3 LYS 83 HG3 LYS 83 -16.788 -1.719 -7.527 593 HD2 LYS 83 HD2 LYS 83 -18.390 -0.318 -6.309 594 HD3 LYS 83 HD3 LYS 83 -17.640 1.132 -6.981 595 HE2 LYS 83 HE2 LYS 83 -18.143 0.329 -9.260 596 HE3 LYS 83 HE3 LYS 83 -18.937 -1.092 -8.580 597 HZ1 LYS 83 HZ1 LYS 83 -19.768 1.617 -7.756 598 HZ2 LYS 83 HZ2 LYS 83 -20.655 0.168 -7.720 599 HZ3 LYS 83 HZ3 LYS 83 -20.356 0.950 -9.199 600 H ALA 84 H ALA 84 -12.887 0.773 -5.439 601 HA ALA 84 HA ALA 84 -12.259 -0.585 -2.916 602 HB1 ALA 84 HB1 ALA 84 -9.902 -0.221 -3.090 603 HB2 ALA 84 HB2 ALA 84 -10.092 0.702 -4.581 604 HB3 ALA 84 HB3 ALA 84 -10.400 -1.034 -4.573 605 H GLU 85 H GLU 85 -12.059 0.793 -1.194 606 HA GLU 85 HA GLU 85 -11.755 3.650 -1.599 607 HB2 GLU 85 HB2 GLU 85 -13.886 4.247 -0.499 608 HB3 GLU 85 HB3 GLU 85 -14.161 3.346 -1.986 609 HG2 GLU 85 HG2 GLU 85 -14.469 1.262 -0.693 610 HG3 GLU 85 HG3 GLU 85 -14.201 2.153 0.807 611 H VAL 86 H VAL 86 -11.873 4.809 0.602 612 HA VAL 86 HA VAL 86 -10.871 3.038 2.756 613 HB VAL 86 HB VAL 86 -9.235 4.784 3.374 614 HG11 VAL 86 HG11 VAL 86 -8.617 2.850 1.926 615 HG12 VAL 86 HG12 VAL 86 -7.646 4.281 1.575 616 HG13 VAL 86 HG13 VAL 86 -8.973 3.831 0.503 617 HG21 VAL 86 HG21 VAL 86 -8.690 6.501 1.571 618 HG22 VAL 86 HG22 VAL 86 -10.217 6.776 2.408 619 HG23 VAL 86 HG23 VAL 86 -10.212 6.062 0.795 620 H ARG 87 H ARG 87 -10.994 3.969 4.931 621 HA ARG 87 HA ARG 87 -13.111 6.025 5.190 622 HB2 ARG 87 HB2 ARG 87 -12.820 3.542 6.887 623 HB3 ARG 87 HB3 ARG 87 -14.005 4.818 7.137 624 HG2 ARG 87 HG2 ARG 87 -13.828 3.293 4.527 625 HG3 ARG 87 HG3 ARG 87 -14.830 2.746 5.869 626 HD2 ARG 87 HD2 ARG 87 -15.022 5.499 4.647 627 HD3 ARG 87 HD3 ARG 87 -16.058 4.150 4.183 628 HE ARG 87 HE ARG 87 -16.283 4.309 6.933 629 HH11 ARG 87 HH11 ARG 87 -16.856 6.541 4.284 630 HH12 ARG 87 HH12 ARG 87 -18.103 7.405 5.120 631 HH21 ARG 87 HH21 ARG 87 -17.913 5.461 7.988 632 HH22 ARG 87 HH22 ARG 87 -18.697 6.795 7.209 633 H GLY 88 H GLY 88 -12.922 7.500 6.780 634 HA2 GLY 88 HA2 GLY 88 -12.028 8.675 8.556 635 HA3 GLY 88 HA3 GLY 88 -11.018 7.283 8.916 636 H ALA 89 H ALA 89 -10.684 8.190 5.667 637 HA ALA 89 HA ALA 89 -8.617 10.192 6.075 638 HB1 ALA 89 HB1 ALA 89 -7.049 8.607 4.656 639 HB2 ALA 89 HB2 ALA 89 -8.015 7.341 5.417 640 HB3 ALA 89 HB3 ALA 89 -7.115 8.482 6.412 641 H GLU 90 H GLU 90 -7.593 10.788 3.947 642 HA GLU 90 HA GLU 90 -9.655 10.744 1.837 643 HB2 GLU 90 HB2 GLU 90 -8.522 12.765 0.949 644 HB3 GLU 90 HB3 GLU 90 -9.065 12.996 2.610 645 HG2 GLU 90 HG2 GLU 90 -6.785 12.520 3.438 646 HG3 GLU 90 HG3 GLU 90 -6.232 12.258 1.783 647 H ILE 91 H ILE 91 -9.086 10.316 -0.308 648 HA ILE 91 HA ILE 91 -6.834 8.483 -0.572 649 HB ILE 91 HB ILE 91 -9.027 9.214 -2.559 650 HG12 ILE 91 HG12 ILE 91 -8.725 6.671 -0.917 651 HG13 ILE 91 HG13 ILE 91 -9.703 8.036 -0.373 652 HG21 ILE 91 HG21 ILE 91 -6.992 6.944 -2.583 653 HG22 ILE 91 HG22 ILE 91 -6.983 8.337 -3.663 654 HG23 ILE 91 HG23 ILE 91 -8.293 7.161 -3.756 655 HD11 ILE 91 HD11 ILE 91 -10.108 6.685 -3.060 656 HD12 ILE 91 HD12 ILE 91 -11.181 7.837 -2.265 657 HD13 ILE 91 HD13 ILE 91 -10.987 6.213 -1.604 658 H GLU 92 H GLU 92 -4.931 9.016 -1.362 659 HA GLU 92 HA GLU 92 -4.464 11.643 -2.520 660 HB2 GLU 92 HB2 GLU 92 -2.582 9.326 -2.001 661 HB3 GLU 92 HB3 GLU 92 -2.097 10.929 -2.555 662 HG2 GLU 92 HG2 GLU 92 -3.041 11.924 -0.504 663 HG3 GLU 92 HG3 GLU 92 -3.515 10.316 0.053 664 H TYR 93 H TYR 93 -4.356 8.242 -3.492 665 HA TYR 93 HA TYR 93 -5.075 8.805 -6.166 666 HB2 TYR 93 HB2 TYR 93 -2.551 9.453 -6.010 667 HB3 TYR 93 HB3 TYR 93 -2.273 7.713 -5.982 668 HD1 TYR 93 HD1 TYR 93 -3.117 10.568 -8.053 669 HD2 TYR 93 HD2 TYR 93 -3.196 6.280 -7.863 670 HE1 TYR 93 HE1 TYR 93 -3.444 10.465 -10.510 671 HE2 TYR 93 HE2 TYR 93 -3.519 6.180 -10.316 672 HH TYR 93 HH TYR 93 -2.947 8.713 -12.355 673 H ALA 94 H ALA 94 -5.685 6.958 -7.257 674 HA ALA 94 HA ALA 94 -5.041 4.338 -6.116 675 HB1 ALA 94 HB1 ALA 94 -7.584 3.821 -6.468 676 HB2 ALA 94 HB2 ALA 94 -7.770 5.562 -6.252 677 HB3 ALA 94 HB3 ALA 94 -7.043 4.587 -4.974 678 H MET 95 H MET 95 -4.955 2.734 -7.616 679 HA MET 95 HA MET 95 -6.155 3.015 -10.222 680 HB2 MET 95 HB2 MET 95 -4.066 2.856 -11.512 681 HB3 MET 95 HB3 MET 95 -4.111 4.339 -10.560 682 HG2 MET 95 HG2 MET 95 -2.598 3.442 -8.926 683 HG3 MET 95 HG3 MET 95 -2.750 1.814 -9.595 684 HE1 MET 95 HE1 MET 95 -1.559 5.329 -9.915 685 HE2 MET 95 HE2 MET 95 -2.271 5.325 -11.527 686 HE3 MET 95 HE3 MET 95 -0.523 5.408 -11.349 687 H ALA 96 H ALA 96 -5.454 1.142 -11.657 688 HA ALA 96 HA ALA 96 -4.939 -1.298 -10.088 689 HB1 ALA 96 HB1 ALA 96 -7.443 -0.776 -10.688 690 HB2 ALA 96 HB2 ALA 96 -6.814 -2.406 -10.929 691 HB3 ALA 96 HB3 ALA 96 -6.962 -1.303 -12.294 692 H TYR 97 H TYR 97 -3.887 -2.957 -11.257 693 HA TYR 97 HA TYR 97 -2.768 -2.085 -13.868 694 HB2 TYR 97 HB2 TYR 97 -1.590 -3.903 -11.775 695 HB3 TYR 97 HB3 TYR 97 -0.863 -3.593 -13.349 696 HD1 TYR 97 HD1 TYR 97 -1.417 -2.313 -9.987 697 HD2 TYR 97 HD2 TYR 97 -0.130 -1.263 -13.948 698 HE1 TYR 97 HE1 TYR 97 -0.347 -0.264 -9.098 699 HE2 TYR 97 HE2 TYR 97 0.939 0.792 -13.057 700 HH TYR 97 HH TYR 97 1.354 1.323 -9.670 701 H SER 98 H SER 98 -3.725 -3.071 -15.515 702 HA SER 98 HA SER 98 -5.190 -5.497 -15.392 703 HB2 SER 98 HB2 SER 98 -3.932 -4.067 -17.743 704 HB3 SER 98 HB3 SER 98 -5.055 -5.418 -17.877 705 HG SER 98 HG SER 98 -5.495 -2.780 -17.300 706 H LYS 99 H LYS 99 -1.899 -4.719 -16.390 707 HA LYS 99 HA LYS 99 -1.112 -7.507 -16.013 708 HB2 LYS 99 HB2 LYS 99 -1.503 -7.500 -18.373 709 HB3 LYS 99 HB3 LYS 99 -0.709 -5.944 -18.584 710 HG2 LYS 99 HG2 LYS 99 1.432 -6.839 -18.443 711 HG3 LYS 99 HG3 LYS 99 0.949 -8.189 -17.424 712 HD2 LYS 99 HD2 LYS 99 -0.105 -9.283 -19.371 713 HD3 LYS 99 HD3 LYS 99 0.252 -7.879 -20.377 714 HE2 LYS 99 HE2 LYS 99 1.944 -9.552 -20.818 715 HE3 LYS 99 HE3 LYS 99 2.697 -8.248 -19.901 716 HZ1 LYS 99 HZ1 LYS 99 1.884 -9.805 -17.915 717 HZ2 LYS 99 HZ2 LYS 99 3.403 -9.971 -18.656 718 HZ3 LYS 99 HZ3 LYS 99 2.117 -10.986 -19.106 719 H ALA 100 H ALA 100 0.856 -7.777 -15.191 720 HA ALA 100 HA ALA 100 2.293 -5.435 -14.261 721 HB1 ALA 100 HB1 ALA 100 3.731 -7.101 -13.110 722 HB2 ALA 100 HB2 ALA 100 2.801 -8.396 -13.864 723 HB3 ALA 100 HB3 ALA 100 2.024 -7.305 -12.716 724 H ALA 101 H ALA 101 4.203 -4.756 -15.011 725 HA ALA 101 HA ALA 101 4.981 -5.052 -17.626 726 HB1 ALA 101 HB1 ALA 101 6.589 -3.561 -17.103 727 HB2 ALA 101 HB2 ALA 101 7.286 -4.594 -15.855 728 HB3 ALA 101 HB3 ALA 101 5.895 -3.579 -15.486 729 H PHE 102 H PHE 102 6.135 -6.429 -18.815 730 HA PHE 102 HA PHE 102 6.979 -8.935 -17.567 731 HB2 PHE 102 HB2 PHE 102 5.442 -8.953 -19.536 732 HB3 PHE 102 HB3 PHE 102 6.733 -8.244 -20.508 733 HD1 PHE 102 HD1 PHE 102 5.755 -11.224 -18.510 734 HD2 PHE 102 HD2 PHE 102 8.552 -9.582 -21.325 735 HE1 PHE 102 HE1 PHE 102 6.698 -13.485 -18.891 736 HE2 PHE 102 HE2 PHE 102 9.496 -11.843 -21.708 737 HZ PHE 102 HZ PHE 102 8.568 -13.795 -20.490 738 H GLU 103 H GLU 103 9.023 -9.530 -17.325 739 HA GLU 103 HA GLU 103 11.289 -9.610 -17.425 740 HB2 GLU 103 HB2 GLU 103 10.853 -9.662 -19.933 741 HB3 GLU 103 HB3 GLU 103 11.187 -7.927 -19.941 742 HG2 GLU 103 HG2 GLU 103 13.410 -8.356 -18.955 743 HG3 GLU 103 HG3 GLU 103 13.077 -10.087 -18.955 744 H ARG 104 H ARG 104 10.895 -6.329 -18.857 745 HA ARG 104 HA ARG 104 11.962 -5.187 -16.349 746 HB2 ARG 104 HB2 ARG 104 12.956 -4.660 -19.149 747 HB3 ARG 104 HB3 ARG 104 13.347 -3.639 -17.761 748 HG2 ARG 104 HG2 ARG 104 14.354 -5.553 -16.600 749 HG3 ARG 104 HG3 ARG 104 13.938 -6.609 -17.952 750 HD2 ARG 104 HD2 ARG 104 15.343 -5.234 -19.450 751 HD3 ARG 104 HD3 ARG 104 15.773 -4.203 -18.090 752 HE ARG 104 HE ARG 104 16.411 -6.850 -17.386 753 HH11 ARG 104 HH11 ARG 104 17.464 -4.437 -19.713 754 HH12 ARG 104 HH12 ARG 104 19.082 -5.052 -19.801 755 HH21 ARG 104 HH21 ARG 104 18.535 -7.621 -17.535 756 HH22 ARG 104 HH22 ARG 104 19.680 -6.843 -18.575 757 H GLU 105 H GLU 105 9.656 -5.064 -18.859 758 HA GLU 105 HA GLU 105 8.370 -2.735 -17.829 759 HB2 GLU 105 HB2 GLU 105 8.572 -1.600 -20.222 760 HB3 GLU 105 HB3 GLU 105 9.726 -1.244 -18.955 761 HG2 GLU 105 HG2 GLU 105 11.399 -2.583 -19.973 762 HG3 GLU 105 HG3 GLU 105 10.232 -3.492 -20.929 763 H SER 106 H SER 106 6.676 -1.926 -19.417 764 HA SER 106 HA SER 106 4.975 -2.217 -20.859 765 HB2 SER 106 HB2 SER 106 4.839 -3.940 -22.412 766 HB3 SER 106 HB3 SER 106 6.531 -4.074 -21.908 767 HG SER 106 HG SER 106 5.986 -5.762 -20.584 768 H ASP 107 H ASP 107 4.451 -1.847 -18.521 769 HA ASP 107 HA ASP 107 2.543 -3.826 -17.536 770 HB2 ASP 107 HB2 ASP 107 2.235 -2.146 -15.740 771 HB3 ASP 107 HB3 ASP 107 3.870 -2.795 -15.826 772 H VAL 108 H VAL 108 0.305 -3.416 -17.478 773 HA VAL 108 HA VAL 108 -0.600 -1.105 -19.114 774 HB VAL 108 HB VAL 108 -1.879 -3.857 -18.905 775 HG11 VAL 108 HG11 VAL 108 -2.611 -1.438 -20.595 776 HG12 VAL 108 HG12 VAL 108 -3.556 -2.084 -19.254 777 HG13 VAL 108 HG13 VAL 108 -3.356 -3.031 -20.729 778 HG21 VAL 108 HG21 VAL 108 -0.457 -2.511 -21.233 779 HG22 VAL 108 HG22 VAL 108 -1.170 -4.122 -21.244 780 HG23 VAL 108 HG23 VAL 108 0.237 -3.789 -20.234 781 HA PRO 109 HA PRO 109 -2.853 -0.415 -15.130 782 HB2 PRO 109 HB2 PRO 109 -2.986 2.233 -15.164 783 HB3 PRO 109 HB3 PRO 109 -1.433 1.416 -14.867 784 HG2 PRO 109 HG2 PRO 109 -2.450 2.669 -17.378 785 HG3 PRO 109 HG3 PRO 109 -0.837 2.766 -16.643 786 HD2 PRO 109 HD2 PRO 109 -1.498 1.038 -18.710 787 HD3 PRO 109 HD3 PRO 109 -0.150 0.777 -17.580 788 H LEU 110 H LEU 110 -5.056 -0.215 -14.778 789 HA LEU 110 HA LEU 110 -6.850 0.052 -17.027 790 HB2 LEU 110 HB2 LEU 110 -7.325 -0.246 -14.054 791 HB3 LEU 110 HB3 LEU 110 -8.638 -0.103 -15.231 792 HG LEU 110 HG LEU 110 -6.457 -2.203 -15.481 793 HD11 LEU 110 HD11 LEU 110 -8.475 -3.724 -14.592 794 HD12 LEU 110 HD12 LEU 110 -8.951 -2.233 -13.786 795 HD13 LEU 110 HD13 LEU 110 -7.368 -2.941 -13.475 796 HD21 LEU 110 HD21 LEU 110 -9.303 -2.094 -16.546 797 HD22 LEU 110 HD22 LEU 110 -8.096 -3.306 -16.940 798 HD23 LEU 110 HD23 LEU 110 -7.886 -1.650 -17.496 799 H LYS 111 H LYS 111 -8.248 1.723 -17.496 800 HA LYS 111 HA LYS 111 -7.414 4.351 -16.838 801 HB2 LYS 111 HB2 LYS 111 -8.597 3.635 -18.953 802 HB3 LYS 111 HB3 LYS 111 -10.080 3.506 -18.001 803 HG2 LYS 111 HG2 LYS 111 -9.887 5.880 -17.372 804 HG3 LYS 111 HG3 LYS 111 -8.404 6.020 -18.316 805 HD2 LYS 111 HD2 LYS 111 -11.037 5.129 -19.521 806 HD3 LYS 111 HD3 LYS 111 -10.545 6.821 -19.467 807 HE2 LYS 111 HE2 LYS 111 -8.461 6.224 -20.704 808 HE3 LYS 111 HE3 LYS 111 -9.035 4.560 -20.822 809 HZ1 LYS 111 HZ1 LYS 111 -11.147 5.785 -21.775 810 HZ2 LYS 111 HZ2 LYS 111 -9.830 5.378 -22.768 811 HZ3 LYS 111 HZ3 LYS 111 -9.998 6.963 -22.181 812 H THR 112 H THR 112 -7.901 5.571 -15.124 813 HA THR 112 HA THR 112 -9.425 4.614 -12.937 814 HB THR 112 HB THR 112 -7.600 6.222 -12.633 815 HG1 THR 112 HG1 THR 112 -8.616 6.958 -10.971 816 HG21 THR 112 HG21 THR 112 -9.411 8.282 -13.923 817 HG22 THR 112 HG22 THR 112 -8.063 7.510 -14.757 818 HG23 THR 112 HG23 THR 112 -7.762 8.524 -13.346 819 H GLU 113 H GLU 113 -10.242 6.580 -15.670 820 HA GLU 113 HA GLU 113 -12.659 7.719 -14.775 821 HB2 GLU 113 HB2 GLU 113 -11.636 7.080 -17.538 822 HB3 GLU 113 HB3 GLU 113 -13.140 7.950 -17.240 823 HG2 GLU 113 HG2 GLU 113 -11.969 9.696 -16.049 824 HG3 GLU 113 HG3 GLU 113 -10.455 8.801 -16.122 825 H GLU 114 H GLU 114 -11.920 4.479 -15.857 826 HA GLU 114 HA GLU 114 -14.472 3.750 -16.793 827 HB2 GLU 114 HB2 GLU 114 -12.130 2.533 -16.945 828 HB3 GLU 114 HB3 GLU 114 -12.691 1.729 -15.483 829 HG2 GLU 114 HG2 GLU 114 -13.925 0.326 -16.727 830 HG3 GLU 114 HG3 GLU 114 -14.894 1.656 -17.336 831 H PHE 115 H PHE 115 -13.388 4.306 -13.584 832 HA PHE 115 HA PHE 115 -15.991 3.596 -12.532 833 HB2 PHE 115 HB2 PHE 115 -15.165 2.147 -10.731 834 HB3 PHE 115 HB3 PHE 115 -14.824 1.450 -12.317 835 HD1 PHE 115 HD1 PHE 115 -13.360 3.002 -9.316 836 HD2 PHE 115 HD2 PHE 115 -12.532 1.392 -13.211 837 HE1 PHE 115 HE1 PHE 115 -10.943 2.918 -8.767 838 HE2 PHE 115 HE2 PHE 115 -10.116 1.307 -12.662 839 HZ PHE 115 HZ PHE 115 -9.321 2.070 -10.440 840 H GLU 116 H GLU 116 -16.297 4.279 -10.260 841 HA GLU 116 HA GLU 116 -14.564 6.576 -9.565 842 HB2 GLU 116 HB2 GLU 116 -16.661 7.443 -10.403 843 HB3 GLU 116 HB3 GLU 116 -17.584 6.344 -9.383 844 HG2 GLU 116 HG2 GLU 116 -16.945 7.499 -7.383 845 HG3 GLU 116 HG3 GLU 116 -15.709 8.442 -8.204 846 H VAL 117 H VAL 117 -13.793 6.707 -7.578 847 HA VAL 117 HA VAL 117 -14.982 5.070 -5.428 848 HB VAL 117 HB VAL 117 -12.710 4.639 -4.535 849 HG11 VAL 117 HG11 VAL 117 -12.106 2.901 -6.144 850 HG12 VAL 117 HG12 VAL 117 -13.067 3.694 -7.392 851 HG13 VAL 117 HG13 VAL 117 -13.861 2.985 -5.985 852 HG21 VAL 117 HG21 VAL 117 -11.500 6.519 -5.570 853 HG22 VAL 117 HG22 VAL 117 -11.803 5.855 -7.175 854 HG23 VAL 117 HG23 VAL 117 -10.749 4.996 -6.053 855 H THR 118 H THR 118 -15.246 6.079 -3.569 856 HA THR 118 HA THR 118 -13.985 8.696 -3.089 857 HB THR 118 HB THR 118 -16.910 8.149 -2.532 858 HG1 THR 118 HG1 THR 118 -16.914 8.357 -4.664 859 HG21 THR 118 HG21 THR 118 -16.879 10.693 -2.377 860 HG22 THR 118 HG22 THR 118 -15.120 10.576 -2.363 861 HG23 THR 118 HG23 THR 118 -16.064 9.833 -1.071 862 H LYS 119 H LYS 119 -13.908 9.314 -0.861 863 HA LYS 119 HA LYS 119 -13.055 7.265 0.842 864 HB2 LYS 119 HB2 LYS 119 -12.970 8.973 2.599 865 HB3 LYS 119 HB3 LYS 119 -12.305 9.582 1.084 866 HG2 LYS 119 HG2 LYS 119 -14.474 10.692 0.590 867 HG3 LYS 119 HG3 LYS 119 -15.106 10.116 2.135 868 HD2 LYS 119 HD2 LYS 119 -12.596 11.798 1.950 869 HD3 LYS 119 HD3 LYS 119 -14.199 12.516 2.113 870 HE2 LYS 119 HE2 LYS 119 -14.557 11.182 4.187 871 HE3 LYS 119 HE3 LYS 119 -12.915 10.553 4.042 872 HZ1 LYS 119 HZ1 LYS 119 -13.188 12.517 5.544 873 HZ2 LYS 119 HZ2 LYS 119 -13.533 13.449 4.165 874 HZ3 LYS 119 HZ3 LYS 119 -12.017 12.699 4.333 875 H THR 120 H THR 120 -16.270 8.391 0.256 876 HA THR 120 HA THR 120 -17.242 6.599 2.383 877 HB THR 120 HB THR 120 -17.243 8.844 3.314 878 HG1 THR 120 HG1 THR 120 -19.054 7.254 3.601 879 HG21 THR 120 HG21 THR 120 -18.871 10.528 2.329 880 HG22 THR 120 HG22 THR 120 -18.945 9.499 0.899 881 HG23 THR 120 HG23 THR 120 -17.416 10.238 1.375 882 H ALA 121 H ALA 121 -17.218 6.873 -0.763 883 HA ALA 121 HA ALA 121 -19.744 5.513 -1.099 884 HB1 ALA 121 HB1 ALA 121 -20.616 7.033 -2.829 885 HB2 ALA 121 HB2 ALA 121 -19.291 8.151 -2.513 886 HB3 ALA 121 HB3 ALA 121 -20.497 7.839 -1.266 887 H VAL 122 H VAL 122 -19.942 4.482 -3.142 888 HA VAL 122 HA VAL 122 -17.541 4.520 -4.844 889 HB VAL 122 HB VAL 122 -17.681 2.055 -5.092 890 HG11 VAL 122 HG11 VAL 122 -17.275 3.196 -2.332 891 HG12 VAL 122 HG12 VAL 122 -16.058 2.902 -3.575 892 HG13 VAL 122 HG13 VAL 122 -16.839 1.543 -2.765 893 HG21 VAL 122 HG21 VAL 122 -19.786 2.368 -2.921 894 HG22 VAL 122 HG22 VAL 122 -18.975 0.836 -3.249 895 HG23 VAL 122 HG23 VAL 122 -19.974 1.588 -4.492 896 H ALA 123 H ALA 123 -17.879 4.065 -7.018 897 HA ALA 123 HA ALA 123 -20.529 3.444 -7.943 898 HB1 ALA 123 HB1 ALA 123 -20.991 5.728 -7.766 899 HB2 ALA 123 HB2 ALA 123 -20.485 5.558 -9.447 900 HB3 ALA 123 HB3 ALA 123 -19.359 6.191 -8.246 901 H HIS 124 H HIS 124 -20.615 3.321 -10.347 902 HA HIS 124 HA HIS 124 -17.972 2.688 -11.505 903 HB2 HIS 124 HB2 HIS 124 -19.037 0.885 -12.798 904 HB3 HIS 124 HB3 HIS 124 -19.250 0.619 -11.067 905 HD2 HIS 124 HD2 HIS 124 -21.421 1.157 -14.240 906 HE1 HIS 124 HE1 HIS 124 -24.051 1.192 -10.937 907 HE2 HIS 124 HE2 HIS 124 -23.915 1.137 -13.473 908 H ARG 125 H ARG 125 -17.762 3.012 -13.770 909 HA ARG 125 HA ARG 125 -19.555 5.121 -14.813 910 HB2 ARG 125 HB2 ARG 125 -16.628 4.610 -15.347 911 HB3 ARG 125 HB3 ARG 125 -17.570 5.873 -16.120 912 HG2 ARG 125 HG2 ARG 125 -17.291 5.655 -13.105 913 HG3 ARG 125 HG3 ARG 125 -16.211 6.638 -14.093 914 HD2 ARG 125 HD2 ARG 125 -18.201 7.883 -14.956 915 HD3 ARG 125 HD3 ARG 125 -19.219 6.953 -13.855 916 HE ARG 125 HE ARG 125 -17.133 8.147 -12.366 917 HH11 ARG 125 HH11 ARG 125 -20.028 9.084 -14.119 918 HH12 ARG 125 HH12 ARG 125 -20.294 10.504 -13.162 919 HH21 ARG 125 HH21 ARG 125 -17.508 10.015 -11.150 920 HH22 ARG 125 HH22 ARG 125 -18.873 11.026 -11.491 921 HA PRO 126 HA PRO 126 -20.746 2.645 -18.332 922 HB2 PRO 126 HB2 PRO 126 -19.811 4.897 -20.069 923 HB3 PRO 126 HB3 PRO 126 -21.376 4.052 -20.063 924 HG2 PRO 126 HG2 PRO 126 -21.206 6.460 -19.044 925 HG3 PRO 126 HG3 PRO 126 -22.139 5.207 -18.196 926 HD2 PRO 126 HD2 PRO 126 -19.406 6.269 -17.549 927 HD3 PRO 126 HD3 PRO 126 -20.735 5.824 -16.447 928 H GLY 127 H GLY 127 -19.713 1.131 -19.598 929 HA2 GLY 127 HA2 GLY 127 -18.017 0.143 -20.877 930 HA3 GLY 127 HA3 GLY 127 -17.044 1.597 -20.662 931 H ALA 128 H ALA 128 -18.356 0.424 -17.715 932 HA ALA 128 HA ALA 128 -16.001 0.059 -16.359 933 HB1 ALA 128 HB1 ALA 128 -18.549 -1.490 -15.872 934 HB2 ALA 128 HB2 ALA 128 -18.255 0.161 -15.324 935 HB3 ALA 128 HB3 ALA 128 -17.273 -1.164 -14.699 936 H PHE 129 H PHE 129 -14.678 -1.663 -15.834 937 HA PHE 129 HA PHE 129 -14.277 -3.624 -17.882 938 HB2 PHE 129 HB2 PHE 129 -13.008 -3.287 -15.156 939 HB3 PHE 129 HB3 PHE 129 -12.493 -4.481 -16.345 940 HD1 PHE 129 HD1 PHE 129 -12.283 -1.022 -15.318 941 HD2 PHE 129 HD2 PHE 129 -11.764 -3.680 -18.652 942 HE1 PHE 129 HE1 PHE 129 -10.920 0.698 -16.474 943 HE2 PHE 129 HE2 PHE 129 -10.399 -1.963 -19.809 944 HZ PHE 129 HZ PHE 129 -9.977 0.227 -18.721 945 H LYS 130 H LYS 130 -14.687 -5.805 -17.899 946 HA LYS 130 HA LYS 130 -16.037 -6.969 -15.559 947 HB2 LYS 130 HB2 LYS 130 -17.123 -7.102 -18.391 948 HB3 LYS 130 HB3 LYS 130 -17.778 -7.974 -17.001 949 HG2 LYS 130 HG2 LYS 130 -18.214 -5.830 -15.867 950 HG3 LYS 130 HG3 LYS 130 -17.571 -4.964 -17.263 951 HD2 LYS 130 HD2 LYS 130 -19.326 -5.956 -18.686 952 HD3 LYS 130 HD3 LYS 130 -19.976 -6.811 -17.286 953 HE2 LYS 130 HE2 LYS 130 -20.406 -4.666 -16.159 954 HE3 LYS 130 HE3 LYS 130 -19.752 -3.799 -17.548 955 HZ1 LYS 130 HZ1 LYS 130 -22.064 -3.817 -17.835 956 HZ2 LYS 130 HZ2 LYS 130 -22.198 -5.458 -17.418 957 HZ3 LYS 130 HZ3 LYS 130 -21.486 -5.007 -18.893 958 H ALA 131 H ALA 131 -15.327 -7.973 -18.907 959 HA ALA 131 HA ALA 131 -14.641 -10.626 -18.275 960 HB1 ALA 131 HB1 ALA 131 -14.244 -8.874 -20.670 961 HB2 ALA 131 HB2 ALA 131 -15.239 -10.320 -20.493 962 HB3 ALA 131 HB3 ALA 131 -13.484 -10.465 -20.605 963 H GLU 132 H GLU 132 -12.686 -7.714 -18.605 964 HA GLU 132 HA GLU 132 -10.174 -9.089 -18.501 965 HB2 GLU 132 HB2 GLU 132 -10.582 -6.868 -19.622 966 HB3 GLU 132 HB3 GLU 132 -10.658 -6.151 -18.008 967 HG2 GLU 132 HG2 GLU 132 -8.393 -6.959 -17.518 968 HG3 GLU 132 HG3 GLU 132 -8.309 -7.737 -19.096 969 H LEU 133 H LEU 133 -8.722 -9.243 -16.871 970 HA LEU 133 HA LEU 133 -9.766 -8.840 -14.136 971 HB2 LEU 133 HB2 LEU 133 -8.115 -10.621 -13.468 972 HB3 LEU 133 HB3 LEU 133 -9.399 -11.176 -14.534 973 HG LEU 133 HG LEU 133 -7.688 -10.724 -16.473 974 HD11 LEU 133 HD11 LEU 133 -5.934 -10.558 -14.029 975 HD12 LEU 133 HD12 LEU 133 -5.918 -9.556 -15.474 976 HD13 LEU 133 HD13 LEU 133 -5.285 -11.188 -15.540 977 HD21 LEU 133 HD21 LEU 133 -6.858 -12.972 -16.307 978 HD22 LEU 133 HD22 LEU 133 -8.456 -12.974 -15.562 979 HD23 LEU 133 HD23 LEU 133 -7.011 -12.964 -14.550 980 H SER 134 H SER 134 -8.184 -8.250 -12.404 981 HA SER 134 HA SER 134 -5.619 -7.224 -13.083 982 HB2 SER 134 HB2 SER 134 -6.937 -5.510 -14.230 983 HB3 SER 134 HB3 SER 134 -7.840 -5.200 -12.755 984 HG SER 134 HG SER 134 -6.211 -4.073 -12.022 985 H LYS 135 H LYS 135 -4.779 -5.673 -11.375 986 HA LYS 135 HA LYS 135 -5.692 -6.525 -8.692 987 HB2 LYS 135 HB2 LYS 135 -3.320 -6.056 -7.948 988 HB3 LYS 135 HB3 LYS 135 -3.470 -7.444 -9.024 989 HG2 LYS 135 HG2 LYS 135 -2.826 -5.956 -10.941 990 HG3 LYS 135 HG3 LYS 135 -2.580 -4.639 -9.794 991 HD2 LYS 135 HD2 LYS 135 -1.163 -7.297 -9.500 992 HD3 LYS 135 HD3 LYS 135 -0.492 -5.983 -10.470 993 HE2 LYS 135 HE2 LYS 135 -1.271 -5.718 -7.544 994 HE3 LYS 135 HE3 LYS 135 0.373 -6.008 -8.116 995 HZ1 LYS 135 HZ1 LYS 135 -1.066 -3.569 -7.981 996 HZ2 LYS 135 HZ2 LYS 135 -0.572 -3.855 -9.582 997 HZ3 LYS 135 HZ3 LYS 135 0.571 -3.824 -8.326 998 H LEU 136 H LEU 136 -5.444 -4.921 -6.999 999 HA LEU 136 HA LEU 136 -5.721 -2.163 -8.045 1000 HB2 LEU 136 HB2 LEU 136 -7.060 -3.505 -5.699 1001 HB3 LEU 136 HB3 LEU 136 -7.219 -1.789 -6.079 1002 HG LEU 136 HG LEU 136 -7.916 -3.975 -8.058 1003 HD11 LEU 136 HD11 LEU 136 -9.773 -2.489 -6.166 1004 HD12 LEU 136 HD12 LEU 136 -9.301 -4.180 -5.993 1005 HD13 LEU 136 HD13 LEU 136 -10.259 -3.669 -7.383 1006 HD21 LEU 136 HD21 LEU 136 -7.488 -1.480 -8.732 1007 HD22 LEU 136 HD22 LEU 136 -9.003 -1.142 -7.915 1008 HD23 LEU 136 HD23 LEU 136 -8.971 -2.239 -9.294 1009 H VAL 137 H VAL 137 -4.910 -0.435 -6.911 1010 HA VAL 137 HA VAL 137 -3.349 -0.917 -4.489 1011 HB VAL 137 HB VAL 137 -1.735 -1.139 -6.383 1012 HG11 VAL 137 HG11 VAL 137 -2.866 0.383 -7.975 1013 HG12 VAL 137 HG12 VAL 137 -1.173 0.819 -7.746 1014 HG13 VAL 137 HG13 VAL 137 -2.434 1.756 -6.955 1015 HG21 VAL 137 HG21 VAL 137 -1.440 1.318 -4.626 1016 HG22 VAL 137 HG22 VAL 137 -0.119 0.589 -5.539 1017 HG23 VAL 137 HG23 VAL 137 -0.905 -0.321 -4.249 1018 H ILE 138 H ILE 138 -3.852 0.577 -3.027 1019 HA ILE 138 HA ILE 138 -4.905 3.193 -3.956 1020 HB ILE 138 HB ILE 138 -5.932 1.621 -1.564 1021 HG12 ILE 138 HG12 ILE 138 -8.074 1.631 -3.153 1022 HG13 ILE 138 HG13 ILE 138 -6.879 1.821 -4.439 1023 HG21 ILE 138 HG21 ILE 138 -6.721 4.254 -2.837 1024 HG22 ILE 138 HG22 ILE 138 -6.258 3.949 -1.163 1025 HG23 ILE 138 HG23 ILE 138 -7.805 3.362 -1.769 1026 HD11 ILE 138 HD11 ILE 138 -6.525 -0.347 -2.370 1027 HD12 ILE 138 HD12 ILE 138 -5.951 -0.298 -4.037 1028 HD13 ILE 138 HD13 ILE 138 -7.654 -0.580 -3.702 1029 H VAL 139 H VAL 139 -3.987 4.942 -3.129 1030 HA VAL 139 HA VAL 139 -2.411 4.700 -0.625 1031 HB VAL 139 HB VAL 139 -1.875 6.540 -2.997 1032 HG11 VAL 139 HG11 VAL 139 -0.209 6.120 -0.494 1033 HG12 VAL 139 HG12 VAL 139 -1.299 7.485 -0.731 1034 HG13 VAL 139 HG13 VAL 139 0.094 7.276 -1.792 1035 HG21 VAL 139 HG21 VAL 139 0.175 5.192 -3.290 1036 HG22 VAL 139 HG22 VAL 139 -1.257 4.171 -3.423 1037 HG23 VAL 139 HG23 VAL 139 -0.303 4.161 -1.942 1038 H ALA 140 H ALA 140 -3.340 5.786 0.998 1039 HA ALA 140 HA ALA 140 -4.899 8.232 0.400 1040 HB1 ALA 140 HB1 ALA 140 -5.685 5.961 2.227 1041 HB2 ALA 140 HB2 ALA 140 -6.507 6.482 0.756 1042 HB3 ALA 140 HB3 ALA 140 -6.501 7.524 2.179 1043 H LYS 141 H LYS 141 -4.777 9.891 1.825 1044 HA LYS 141 HA LYS 141 -2.699 9.709 3.886 1045 HB2 LYS 141 HB2 LYS 141 -2.731 11.507 2.028 1046 HB3 LYS 141 HB3 LYS 141 -4.045 12.236 2.952 1047 HG2 LYS 141 HG2 LYS 141 -2.596 12.307 4.958 1048 HG3 LYS 141 HG3 LYS 141 -1.279 11.612 4.016 1049 HD2 LYS 141 HD2 LYS 141 -0.847 13.943 3.969 1050 HD3 LYS 141 HD3 LYS 141 -1.593 13.609 2.408 1051 HE2 LYS 141 HE2 LYS 141 -2.660 15.577 3.292 1052 HE3 LYS 141 HE3 LYS 141 -3.817 14.258 3.441 1053 HZ1 LYS 141 HZ1 LYS 141 -2.413 15.734 5.509 1054 HZ2 LYS 141 HZ2 LYS 141 -2.534 14.061 5.772 1055 HZ3 LYS 141 HZ3 LYS 141 -3.936 14.995 5.550 1056 H ALA 142 H ALA 142 -3.077 10.252 6.018 1057 HA ALA 142 HA ALA 142 -5.616 9.744 7.114 1058 HB1 ALA 142 HB1 ALA 142 -2.969 10.495 8.107 1059 HB2 ALA 142 HB2 ALA 142 -4.170 9.414 8.805 1060 HB3 ALA 142 HB3 ALA 142 -4.278 11.144 9.098 1061 H SER 143 H SER 143 -7.244 11.039 7.893 1062 HA SER 143 HA SER 143 -7.702 13.539 6.651 1063 HB2 SER 143 HB2 SER 143 -9.660 13.698 8.117 1064 HB3 SER 143 HB3 SER 143 -9.526 12.086 7.428 1065 HG SER 143 HG SER 143 -9.334 11.351 9.389 1066 H ARG 144 H ARG 144 -6.454 12.666 9.838 1067 HA ARG 144 HA ARG 144 -5.276 15.291 10.126 1068 HB2 ARG 144 HB2 ARG 144 -6.283 15.771 12.330 1069 HB3 ARG 144 HB3 ARG 144 -7.502 15.726 11.055 1070 HG2 ARG 144 HG2 ARG 144 -8.164 13.468 11.702 1071 HG3 ARG 144 HG3 ARG 144 -6.866 13.392 12.894 1072 HD2 ARG 144 HD2 ARG 144 -8.965 13.929 14.019 1073 HD3 ARG 144 HD3 ARG 144 -7.883 15.314 14.092 1074 HE ARG 144 HE ARG 144 -9.606 15.466 11.805 1075 HH11 ARG 144 HH11 ARG 144 -9.572 15.970 15.285 1076 HH12 ARG 144 HH12 ARG 144 -10.857 17.132 15.252 1077 HH21 ARG 144 HH21 ARG 144 -11.282 16.990 11.810 1078 HH22 ARG 144 HH22 ARG 144 -11.817 17.703 13.298 1079 H THR 145 H THR 145 -3.744 15.427 11.870 1080 HA THR 145 HA THR 145 -2.891 12.808 12.947 1081 HB THR 145 HB THR 145 -0.539 13.504 12.650 1082 HG1 THR 145 HG1 THR 145 -1.712 15.665 11.239 1083 HG21 THR 145 HG21 THR 145 -1.833 12.189 10.908 1084 HG22 THR 145 HG22 THR 145 -0.418 13.052 10.305 1085 HG23 THR 145 HG23 THR 145 -2.033 13.706 10.030 1086 H GLU 146 H GLU 146 -3.638 16.099 13.568 1087 HA GLU 146 HA GLU 146 -3.626 17.390 15.443 1088 HB2 GLU 146 HB2 GLU 146 -4.437 14.905 16.238 1089 HB3 GLU 146 HB3 GLU 146 -3.039 15.127 17.291 1090 HG2 GLU 146 HG2 GLU 146 -5.015 15.968 18.448 1091 HG3 GLU 146 HG3 GLU 146 -4.002 17.341 18.010 1092 H LEU 147 H LEU 147 -1.215 17.173 14.047 1093 HA LEU 147 HA LEU 147 0.812 17.343 16.199 1094 HB2 LEU 147 HB2 LEU 147 1.084 16.473 13.317 1095 HB3 LEU 147 HB3 LEU 147 2.467 16.880 14.332 1096 HG LEU 147 HG LEU 147 0.398 14.822 15.150 1097 HD11 LEU 147 HD11 LEU 147 3.053 14.412 13.734 1098 HD12 LEU 147 HD12 LEU 147 1.458 14.095 13.052 1099 HD13 LEU 147 HD13 LEU 147 2.050 13.125 14.401 1100 HD21 LEU 147 HD21 LEU 147 1.701 15.618 17.020 1101 HD22 LEU 147 HD22 LEU 147 3.195 15.560 16.083 1102 HD23 LEU 147 HD23 LEU 147 2.397 14.063 16.563 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 19.988 6.876 16.901 2 H2 GLY 1 HT2 GLY 1 20.715 5.378 16.565 3 H3 GLY 1 HT3 GLY 1 19.726 5.557 17.934 4 HA2 GLY 1 HA2 GLY 1 18.838 5.731 15.104 5 HA3 GLY 1 HA3 GLY 1 18.539 4.378 16.198 6 H SER 2 H SER 2 17.722 5.317 18.477 7 HA SER 2 HA SER 2 15.926 6.141 19.625 8 HB2 SER 2 HB2 SER 2 15.512 8.444 19.462 9 HB3 SER 2 HB3 SER 2 17.169 8.287 18.894 10 HG SER 2 HG SER 2 14.779 8.619 17.406 11 H LYS 3 H LYS 3 15.456 4.418 17.247 12 HA LYS 3 HA LYS 3 12.846 5.345 16.265 13 HB2 LYS 3 HB2 LYS 3 14.702 3.100 15.467 14 HB3 LYS 3 HB3 LYS 3 13.039 3.184 14.879 15 HG2 LYS 3 HG2 LYS 3 13.421 5.263 13.779 16 HG3 LYS 3 HG3 LYS 3 14.952 5.514 14.624 17 HD2 LYS 3 HD2 LYS 3 15.588 4.786 12.457 18 HD3 LYS 3 HD3 LYS 3 15.749 3.349 13.466 19 HE2 LYS 3 HE2 LYS 3 13.158 3.900 12.012 20 HE3 LYS 3 HE3 LYS 3 14.507 3.138 11.178 21 HZ1 LYS 3 HZ1 LYS 3 13.595 1.281 12.015 22 HZ2 LYS 3 HZ2 LYS 3 12.800 2.091 13.277 23 HZ3 LYS 3 HZ3 LYS 3 14.449 1.702 13.417 24 H GLY 4 H GLY 4 11.413 5.070 17.926 25 HA2 GLY 4 HA2 GLY 4 11.311 2.546 19.400 26 HA3 GLY 4 HA3 GLY 4 10.353 3.982 19.721 27 H THR 5 H THR 5 9.964 3.703 16.505 28 HA THR 5 HA THR 5 7.710 1.786 16.700 29 HB THR 5 HB THR 5 7.751 4.406 15.155 30 HG1 THR 5 HG1 THR 5 6.220 3.665 17.418 31 HG21 THR 5 HG21 THR 5 6.340 2.338 14.330 32 HG22 THR 5 HG22 THR 5 5.573 3.919 14.442 33 HG23 THR 5 HG23 THR 5 5.318 2.726 15.714 34 H VAL 6 H VAL 6 7.830 0.156 15.292 35 HA VAL 6 HA VAL 6 9.865 0.106 13.237 36 HB VAL 6 HB VAL 6 7.731 -1.940 13.937 37 HG11 VAL 6 HG11 VAL 6 10.249 -2.220 12.260 38 HG12 VAL 6 HG12 VAL 6 8.600 -2.216 11.639 39 HG13 VAL 6 HG13 VAL 6 9.145 -3.530 12.683 40 HG21 VAL 6 HG21 VAL 6 9.260 -1.579 15.806 41 HG22 VAL 6 HG22 VAL 6 10.655 -1.695 14.733 42 HG23 VAL 6 HG23 VAL 6 9.658 -3.117 15.041 43 H SER 7 H SER 7 6.320 -0.051 13.262 44 HA SER 7 HA SER 7 4.755 0.367 11.690 45 HB2 SER 7 HB2 SER 7 6.876 2.236 10.593 46 HB3 SER 7 HB3 SER 7 5.170 2.258 10.161 47 HG SER 7 HG SER 7 4.811 2.504 12.502 48 H GLU 8 H GLU 8 6.094 -1.954 11.313 49 HA GLU 8 HA GLU 8 7.229 -2.248 8.745 50 HB2 GLU 8 HB2 GLU 8 7.117 -4.678 9.189 51 HB3 GLU 8 HB3 GLU 8 7.739 -3.803 10.586 52 HG2 GLU 8 HG2 GLU 8 5.512 -3.871 11.637 53 HG3 GLU 8 HG3 GLU 8 4.865 -4.712 10.228 54 HA PRO 9 HA PRO 9 3.599 -2.725 6.119 55 HB2 PRO 9 HB2 PRO 9 4.322 -4.646 4.344 56 HB3 PRO 9 HB3 PRO 9 5.017 -3.009 4.317 57 HG2 PRO 9 HG2 PRO 9 6.152 -5.517 5.474 58 HG3 PRO 9 HG3 PRO 9 6.943 -4.281 4.479 59 HD2 PRO 9 HD2 PRO 9 7.260 -4.335 7.154 60 HD3 PRO 9 HD3 PRO 9 7.196 -2.801 6.257 61 H THR 10 H THR 10 1.739 -3.987 5.821 62 HA THR 10 HA THR 10 1.679 -6.571 7.288 63 HB THR 10 HB THR 10 -0.516 -4.479 7.103 64 HG1 THR 10 HG1 THR 10 0.016 -4.044 9.196 65 HG21 THR 10 HG21 THR 10 -1.202 -6.940 7.299 66 HG22 THR 10 HG22 THR 10 -1.782 -5.874 8.578 67 HG23 THR 10 HG23 THR 10 -0.402 -6.933 8.871 68 H THR 11 H THR 11 0.974 -8.297 6.170 69 HA THR 11 HA THR 11 -0.430 -7.850 3.610 70 HB THR 11 HB THR 11 1.598 -10.024 4.233 71 HG1 THR 11 HG1 THR 11 1.697 -7.691 2.624 72 HG21 THR 11 HG21 THR 11 1.362 -10.710 1.944 73 HG22 THR 11 HG22 THR 11 0.348 -9.318 1.565 74 HG23 THR 11 HG23 THR 11 -0.271 -10.603 2.600 75 H VAL 12 H VAL 12 -2.386 -8.750 3.434 76 HA VAL 12 HA VAL 12 -2.992 -11.175 4.989 77 HB VAL 12 HB VAL 12 -4.772 -8.709 4.934 78 HG11 VAL 12 HG11 VAL 12 -6.151 -10.723 4.899 79 HG12 VAL 12 HG12 VAL 12 -6.186 -10.046 6.528 80 HG13 VAL 12 HG13 VAL 12 -5.181 -11.452 6.179 81 HG21 VAL 12 HG21 VAL 12 -3.244 -10.077 7.177 82 HG22 VAL 12 HG22 VAL 12 -4.354 -8.723 7.390 83 HG23 VAL 12 HG23 VAL 12 -2.863 -8.505 6.473 84 H ALA 13 H ALA 13 -4.103 -12.693 3.909 85 HA ALA 13 HA ALA 13 -4.929 -12.131 1.147 86 HB1 ALA 13 HB1 ALA 13 -3.608 -14.033 1.095 87 HB2 ALA 13 HB2 ALA 13 -5.217 -14.744 1.227 88 HB3 ALA 13 HB3 ALA 13 -4.192 -14.609 2.656 89 H PHE 14 H PHE 14 -7.012 -12.756 0.333 90 HA PHE 14 HA PHE 14 -9.040 -13.447 2.334 91 HB2 PHE 14 HB2 PHE 14 -10.555 -11.667 1.617 92 HB3 PHE 14 HB3 PHE 14 -9.048 -10.974 2.206 93 HD1 PHE 14 HD1 PHE 14 -11.187 -11.526 -0.726 94 HD2 PHE 14 HD2 PHE 14 -7.403 -10.021 0.625 95 HE1 PHE 14 HE1 PHE 14 -10.880 -10.354 -2.891 96 HE2 PHE 14 HE2 PHE 14 -7.097 -8.852 -1.539 97 HZ PHE 14 HZ PHE 14 -8.835 -9.015 -3.297 98 H ASP 15 H ASP 15 -11.087 -14.143 1.400 99 HA ASP 15 HA ASP 15 -10.615 -15.628 -1.086 100 HB2 ASP 15 HB2 ASP 15 -12.761 -15.959 1.018 101 HB3 ASP 15 HB3 ASP 15 -12.524 -16.997 -0.388 102 H VAL 16 H VAL 16 -11.593 -15.151 -2.920 103 HA VAL 16 HA VAL 16 -13.763 -13.153 -2.958 104 HB VAL 16 HB VAL 16 -12.152 -14.354 -5.251 105 HG11 VAL 16 HG11 VAL 16 -14.523 -13.439 -5.704 106 HG12 VAL 16 HG12 VAL 16 -13.209 -12.799 -6.687 107 HG13 VAL 16 HG13 VAL 16 -13.843 -11.851 -5.347 108 HG21 VAL 16 HG21 VAL 16 -11.035 -12.129 -5.329 109 HG22 VAL 16 HG22 VAL 16 -10.742 -12.949 -3.795 110 HG23 VAL 16 HG23 VAL 16 -11.927 -11.647 -3.886 111 H ARG 17 H ARG 17 -15.688 -14.105 -2.643 112 HA ARG 17 HA ARG 17 -16.138 -16.784 -3.755 113 HB2 ARG 17 HB2 ARG 17 -17.570 -15.292 -1.559 114 HB3 ARG 17 HB3 ARG 17 -18.036 -16.889 -2.148 115 HG2 ARG 17 HG2 ARG 17 -15.949 -17.860 -1.470 116 HG3 ARG 17 HG3 ARG 17 -15.233 -16.273 -1.168 117 HD2 ARG 17 HD2 ARG 17 -15.871 -17.347 0.946 118 HD3 ARG 17 HD3 ARG 17 -16.826 -15.894 0.673 119 HE ARG 17 HE ARG 17 -18.137 -18.257 -0.327 120 HH11 ARG 17 HH11 ARG 17 -17.532 -16.420 2.604 121 HH12 ARG 17 HH12 ARG 17 -18.937 -17.022 3.418 122 HH21 ARG 17 HH21 ARG 17 -19.953 -19.027 0.773 123 HH22 ARG 17 HH22 ARG 17 -20.299 -18.494 2.383 124 HA PRO 18 HA PRO 18 -18.846 -14.557 -6.722 125 HB2 PRO 18 HB2 PRO 18 -19.180 -16.484 -8.514 126 HB3 PRO 18 HB3 PRO 18 -17.617 -15.654 -8.356 127 HG2 PRO 18 HG2 PRO 18 -18.460 -18.303 -7.260 128 HG3 PRO 18 HG3 PRO 18 -16.964 -17.873 -8.114 129 HD2 PRO 18 HD2 PRO 18 -17.089 -18.039 -5.398 130 HD3 PRO 18 HD3 PRO 18 -16.002 -16.904 -6.236 131 H GLY 19 H GLY 19 -20.996 -15.156 -7.817 132 HA2 GLY 19 HA2 GLY 19 -22.849 -16.945 -7.534 133 HA3 GLY 19 HA3 GLY 19 -22.738 -16.486 -5.837 134 H GLY 20 H GLY 20 -22.207 -13.897 -8.056 135 HA2 GLY 20 HA2 GLY 20 -23.456 -12.093 -8.735 136 HA3 GLY 20 HA3 GLY 20 -24.899 -13.077 -8.513 137 H VAL 21 H VAL 21 -22.632 -12.602 -5.905 138 HA VAL 21 HA VAL 21 -24.554 -10.820 -4.528 139 HB VAL 21 HB VAL 21 -22.749 -12.934 -3.303 140 HG11 VAL 21 HG11 VAL 21 -23.096 -10.984 -1.821 141 HG12 VAL 21 HG12 VAL 21 -23.916 -12.414 -1.193 142 HG13 VAL 21 HG13 VAL 21 -24.842 -11.155 -2.009 143 HG21 VAL 21 HG21 VAL 21 -24.852 -14.116 -2.775 144 HG22 VAL 21 HG22 VAL 21 -24.698 -13.887 -4.517 145 HG23 VAL 21 HG23 VAL 21 -25.776 -12.848 -3.584 146 H VAL 22 H VAL 22 -23.799 -8.934 -3.852 147 HA VAL 22 HA VAL 22 -21.082 -8.165 -4.425 148 HB VAL 22 HB VAL 22 -23.295 -6.646 -2.985 149 HG11 VAL 22 HG11 VAL 22 -21.952 -4.636 -3.488 150 HG12 VAL 22 HG12 VAL 22 -20.692 -5.648 -4.193 151 HG13 VAL 22 HG13 VAL 22 -21.047 -5.755 -2.470 152 HG21 VAL 22 HG21 VAL 22 -22.330 -6.437 -5.860 153 HG22 VAL 22 HG22 VAL 22 -23.653 -5.527 -5.132 154 HG23 VAL 22 HG23 VAL 22 -23.802 -7.270 -5.360 155 H HIS 23 H HIS 23 -19.439 -8.567 -3.171 156 HA HIS 23 HA HIS 23 -19.874 -8.941 -0.268 157 HB2 HIS 23 HB2 HIS 23 -17.703 -10.077 -2.039 158 HB3 HIS 23 HB3 HIS 23 -17.814 -10.294 -0.294 159 HD2 HIS 23 HD2 HIS 23 -19.025 -12.048 -3.434 160 HE1 HIS 23 HE1 HIS 23 -21.599 -13.362 -0.358 161 HE2 HIS 23 HE2 HIS 23 -20.858 -13.777 -2.750 162 H SER 24 H SER 24 -18.725 -7.823 1.155 163 HA SER 24 HA SER 24 -16.815 -5.816 0.110 164 HB2 SER 24 HB2 SER 24 -18.659 -5.647 2.497 165 HB3 SER 24 HB3 SER 24 -17.451 -4.439 2.066 166 HG SER 24 HG SER 24 -19.826 -5.192 0.748 167 H PHE 25 H PHE 25 -14.817 -5.951 0.774 168 HA PHE 25 HA PHE 25 -14.190 -7.299 3.332 169 HB2 PHE 25 HB2 PHE 25 -12.692 -7.546 0.713 170 HB3 PHE 25 HB3 PHE 25 -12.074 -8.111 2.268 171 HD1 PHE 25 HD1 PHE 25 -14.591 -8.650 -0.366 172 HD2 PHE 25 HD2 PHE 25 -13.085 -10.009 3.420 173 HE1 PHE 25 HE1 PHE 25 -15.887 -10.750 -0.601 174 HE2 PHE 25 HE2 PHE 25 -14.382 -12.109 3.184 175 HZ PHE 25 HZ PHE 25 -15.783 -12.481 1.172 176 H SER 26 H SER 26 -12.459 -6.425 4.517 177 HA SER 26 HA SER 26 -11.129 -4.034 3.499 178 HB2 SER 26 HB2 SER 26 -11.948 -2.567 5.207 179 HB3 SER 26 HB3 SER 26 -13.328 -3.302 4.400 180 HG SER 26 HG SER 26 -13.728 -4.511 6.135 181 H HIS 27 H HIS 27 -9.582 -3.138 5.086 182 HA HIS 27 HA HIS 27 -8.681 -4.991 7.161 183 HB2 HIS 27 HB2 HIS 27 -7.568 -5.654 4.996 184 HB3 HIS 27 HB3 HIS 27 -6.806 -4.066 4.974 185 HD2 HIS 27 HD2 HIS 27 -6.859 -5.494 8.579 186 HE1 HIS 27 HE1 HIS 27 -3.068 -6.415 6.975 187 HE2 HIS 27 HE2 HIS 27 -4.455 -6.352 9.102 188 H ASN 28 H ASN 28 -7.767 -3.991 8.852 189 HA ASN 28 HA ASN 28 -7.353 -1.067 8.688 190 HB2 ASN 28 HB2 ASN 28 -9.244 -1.724 10.115 191 HB3 ASN 28 HB3 ASN 28 -8.182 -2.778 11.049 192 HD21 ASN 28 HD21 ASN 28 -8.945 0.621 10.352 193 HD22 ASN 28 HD22 ASN 28 -8.087 1.254 11.670 194 H VAL 29 H VAL 29 -5.748 -0.200 10.292 195 HA VAL 29 HA VAL 29 -3.495 -2.086 10.715 196 HB VAL 29 HB VAL 29 -1.956 -0.162 10.381 197 HG11 VAL 29 HG11 VAL 29 -3.832 -0.681 8.056 198 HG12 VAL 29 HG12 VAL 29 -2.482 -1.711 8.531 199 HG13 VAL 29 HG13 VAL 29 -2.179 -0.079 7.936 200 HG21 VAL 29 HG21 VAL 29 -2.691 1.976 9.710 201 HG22 VAL 29 HG22 VAL 29 -3.934 1.528 10.875 202 HG23 VAL 29 HG23 VAL 29 -4.257 1.386 9.153 203 H GLY 30 H GLY 30 -2.194 -1.749 12.578 204 HA2 GLY 30 HA2 GLY 30 -3.632 -1.204 14.917 205 HA3 GLY 30 HA3 GLY 30 -1.880 -1.361 14.826 206 HA PRO 31 HA PRO 31 -1.189 3.093 15.210 207 HB2 PRO 31 HB2 PRO 31 -0.690 3.546 12.301 208 HB3 PRO 31 HB3 PRO 31 0.337 3.933 13.699 209 HG2 PRO 31 HG2 PRO 31 0.976 1.923 12.139 210 HG3 PRO 31 HG3 PRO 31 1.108 1.751 13.903 211 HD2 PRO 31 HD2 PRO 31 -1.053 0.710 12.081 212 HD3 PRO 31 HD3 PRO 31 -0.233 -0.106 13.439 213 H GLY 32 H GLY 32 -2.826 2.491 12.121 214 HA2 GLY 32 HA2 GLY 32 -4.609 4.790 12.474 215 HA3 GLY 32 HA3 GLY 32 -4.446 3.811 11.016 216 H ASP 33 H ASP 33 -5.708 3.764 14.347 217 HA ASP 33 HA ASP 33 -7.142 1.336 14.158 218 HB2 ASP 33 HB2 ASP 33 -6.652 2.571 16.289 219 HB3 ASP 33 HB3 ASP 33 -7.879 3.751 15.834 220 H LYS 34 H LYS 34 -7.975 4.647 13.273 221 HA LYS 34 HA LYS 34 -10.683 3.908 12.505 222 HB2 LYS 34 HB2 LYS 34 -10.114 6.086 13.629 223 HB3 LYS 34 HB3 LYS 34 -9.318 6.574 12.130 224 HG2 LYS 34 HG2 LYS 34 -11.409 6.261 10.884 225 HG3 LYS 34 HG3 LYS 34 -12.221 5.715 12.354 226 HD2 LYS 34 HD2 LYS 34 -10.907 8.439 12.140 227 HD3 LYS 34 HD3 LYS 34 -12.598 8.164 11.715 228 HE2 LYS 34 HE2 LYS 34 -11.367 7.547 14.424 229 HE3 LYS 34 HE3 LYS 34 -12.353 8.960 14.055 230 HZ1 LYS 34 HZ1 LYS 34 -13.861 7.461 14.927 231 HZ2 LYS 34 HZ2 LYS 34 -13.155 6.125 14.150 232 HZ3 LYS 34 HZ3 LYS 34 -14.061 7.251 13.256 233 H TYR 35 H TYR 35 -7.572 4.528 10.989 234 HA TYR 35 HA TYR 35 -8.533 4.923 8.327 235 HB2 TYR 35 HB2 TYR 35 -6.314 5.714 9.143 236 HB3 TYR 35 HB3 TYR 35 -5.787 4.037 9.268 237 HD1 TYR 35 HD1 TYR 35 -6.768 6.730 6.947 238 HD2 TYR 35 HD2 TYR 35 -5.279 2.725 7.295 239 HE1 TYR 35 HE1 TYR 35 -6.172 6.745 4.537 240 HE2 TYR 35 HE2 TYR 35 -4.682 2.733 4.887 241 HH TYR 35 HH TYR 35 -4.230 4.270 3.115 242 H THR 36 H THR 36 -9.195 3.461 6.868 243 HA THR 36 HA THR 36 -8.124 0.775 6.850 244 HB THR 36 HB THR 36 -9.898 0.533 8.524 245 HG1 THR 36 HG1 THR 36 -9.583 -1.206 7.172 246 HG21 THR 36 HG21 THR 36 -11.371 2.355 7.901 247 HG22 THR 36 HG22 THR 36 -12.280 0.847 7.812 248 HG23 THR 36 HG23 THR 36 -11.693 1.611 6.335 249 H CYS 37 H CYS 37 -8.687 -0.438 4.964 250 HA CYS 37 HA CYS 37 -9.746 1.222 2.750 251 HB2 CYS 37 HB2 CYS 37 -7.607 -0.924 2.668 252 HB3 CYS 37 HB3 CYS 37 -8.338 -0.200 1.233 253 H MET 38 H MET 38 -11.130 0.270 1.275 254 HA MET 38 HA MET 38 -12.308 -2.318 2.081 255 HB2 MET 38 HB2 MET 38 -13.754 0.188 1.218 256 HB3 MET 38 HB3 MET 38 -14.520 -1.379 1.488 257 HG2 MET 38 HG2 MET 38 -13.768 -1.368 3.820 258 HG3 MET 38 HG3 MET 38 -12.958 0.177 3.568 259 HE1 MET 38 HE1 MET 38 -16.037 0.904 5.872 260 HE2 MET 38 HE2 MET 38 -14.318 1.218 5.650 261 HE3 MET 38 HE3 MET 38 -14.885 -0.441 5.816 262 H PHE 39 H PHE 39 -13.272 -3.555 0.517 263 HA PHE 39 HA PHE 39 -12.945 -2.776 -2.292 264 HB2 PHE 39 HB2 PHE 39 -10.939 -4.099 -1.666 265 HB3 PHE 39 HB3 PHE 39 -11.982 -5.423 -1.158 266 HD1 PHE 39 HD1 PHE 39 -11.225 -3.246 -4.120 267 HD2 PHE 39 HD2 PHE 39 -12.630 -7.065 -2.737 268 HE1 PHE 39 HE1 PHE 39 -11.273 -4.078 -6.456 269 HE2 PHE 39 HE2 PHE 39 -12.677 -7.893 -5.074 270 HZ PHE 39 HZ PHE 39 -12.000 -6.401 -6.931 271 H THR 40 H THR 40 -14.936 -2.869 -3.088 272 HA THR 40 HA THR 40 -16.764 -5.053 -2.256 273 HB THR 40 HB THR 40 -17.472 -2.295 -3.330 274 HG1 THR 40 HG1 THR 40 -17.544 -3.445 -0.739 275 HG21 THR 40 HG21 THR 40 -19.780 -2.965 -2.545 276 HG22 THR 40 HG22 THR 40 -19.164 -4.603 -2.324 277 HG23 THR 40 HG23 THR 40 -19.195 -3.883 -3.933 278 H TYR 41 H TYR 41 -17.425 -6.463 -3.800 279 HA TYR 41 HA TYR 41 -17.257 -5.716 -6.641 280 HB2 TYR 41 HB2 TYR 41 -15.859 -7.654 -7.207 281 HB3 TYR 41 HB3 TYR 41 -15.014 -6.584 -6.088 282 HD1 TYR 41 HD1 TYR 41 -16.690 -9.836 -6.490 283 HD2 TYR 41 HD2 TYR 41 -14.671 -7.237 -3.736 284 HE1 TYR 41 HE1 TYR 41 -16.486 -11.706 -4.880 285 HE2 TYR 41 HE2 TYR 41 -14.460 -9.110 -2.124 286 HH TYR 41 HH TYR 41 -16.204 -12.002 -2.446 287 H ALA 42 H ALA 42 -18.154 -7.310 -8.098 288 HA ALA 42 HA ALA 42 -20.046 -9.226 -6.884 289 HB1 ALA 42 HB1 ALA 42 -21.480 -8.709 -8.979 290 HB2 ALA 42 HB2 ALA 42 -20.528 -7.228 -9.090 291 HB3 ALA 42 HB3 ALA 42 -21.506 -7.542 -7.656 292 H SER 43 H SER 43 -19.743 -11.266 -7.625 293 HA SER 43 HA SER 43 -18.341 -11.642 -10.205 294 HB2 SER 43 HB2 SER 43 -17.693 -13.059 -7.622 295 HB3 SER 43 HB3 SER 43 -16.978 -13.395 -9.198 296 HG SER 43 HG SER 43 -16.953 -10.850 -7.944 297 H GLN 44 H GLN 44 -18.634 -13.622 -11.222 298 HA GLN 44 HA GLN 44 -20.896 -15.268 -10.276 299 HB2 GLN 44 HB2 GLN 44 -21.543 -13.785 -12.194 300 HB3 GLN 44 HB3 GLN 44 -20.305 -14.580 -13.167 301 HG2 GLN 44 HG2 GLN 44 -22.475 -15.619 -13.611 302 HG3 GLN 44 HG3 GLN 44 -21.434 -16.766 -12.768 303 HE21 GLN 44 HE21 GLN 44 -22.652 -17.907 -11.262 304 HE22 GLN 44 HE22 GLN 44 -23.867 -17.239 -10.283 305 H GLY 45 H GLY 45 -20.442 -17.370 -10.116 306 HA2 GLY 45 HA2 GLY 45 -19.095 -19.076 -11.755 307 HA3 GLY 45 HA3 GLY 45 -17.821 -18.376 -10.749 308 H GLY 46 H GLY 46 -17.858 -20.890 -10.288 309 HA2 GLY 46 HA2 GLY 46 -19.621 -21.352 -7.946 310 HA3 GLY 46 HA3 GLY 46 -19.121 -22.632 -9.045 311 H THR 47 H THR 47 -16.435 -20.715 -8.725 312 HA THR 47 HA THR 47 -15.483 -22.088 -6.280 313 HB THR 47 HB THR 47 -13.910 -21.829 -8.867 314 HG1 THR 47 HG1 THR 47 -15.629 -23.401 -8.839 315 HG21 THR 47 HG21 THR 47 -12.292 -23.311 -7.695 316 HG22 THR 47 HG22 THR 47 -13.266 -23.190 -6.230 317 HG23 THR 47 HG23 THR 47 -12.470 -21.756 -6.881 318 H ASN 48 H ASN 48 -14.378 -20.850 -4.876 319 HA ASN 48 HA ASN 48 -14.153 -18.043 -5.435 320 HB2 ASN 48 HB2 ASN 48 -13.506 -17.803 -3.105 321 HB3 ASN 48 HB3 ASN 48 -14.880 -18.903 -3.209 322 HD21 ASN 48 HD21 ASN 48 -13.204 -18.983 -0.934 323 HD22 ASN 48 HD22 ASN 48 -12.322 -20.432 -0.937 324 H GLU 49 H GLU 49 -11.974 -17.000 -4.460 325 HA GLU 49 HA GLU 49 -9.619 -18.481 -5.365 326 HB2 GLU 49 HB2 GLU 49 -10.583 -17.166 -7.300 327 HB3 GLU 49 HB3 GLU 49 -10.184 -15.702 -6.398 328 HG2 GLU 49 HG2 GLU 49 -8.374 -16.210 -7.933 329 HG3 GLU 49 HG3 GLU 49 -7.812 -16.471 -6.282 330 H GLN 50 H GLN 50 -7.663 -17.711 -4.578 331 HA GLN 50 HA GLN 50 -7.938 -16.044 -2.172 332 HB2 GLN 50 HB2 GLN 50 -5.788 -17.973 -3.049 333 HB3 GLN 50 HB3 GLN 50 -5.688 -16.977 -1.596 334 HG2 GLN 50 HG2 GLN 50 -7.697 -17.996 -0.690 335 HG3 GLN 50 HG3 GLN 50 -7.960 -18.891 -2.185 336 HE21 GLN 50 HE21 GLN 50 -7.412 -19.894 0.648 337 HE22 GLN 50 HE22 GLN 50 -6.079 -20.930 0.479 338 H TRP 51 H TRP 51 -7.390 -14.023 -2.271 339 HA TRP 51 HA TRP 51 -5.256 -13.111 -4.115 340 HB2 TRP 51 HB2 TRP 51 -7.762 -11.702 -3.182 341 HB3 TRP 51 HB3 TRP 51 -6.438 -10.875 -3.997 342 HD1 TRP 51 HD1 TRP 51 -8.595 -14.032 -4.637 343 HE1 TRP 51 HE1 TRP 51 -9.147 -14.127 -7.163 344 HE3 TRP 51 HE3 TRP 51 -6.113 -9.860 -6.249 345 HZ2 TRP 51 HZ2 TRP 51 -8.609 -12.620 -9.550 346 HZ3 TRP 51 HZ3 TRP 51 -6.158 -9.211 -8.645 347 HH2 TRP 51 HH2 TRP 51 -7.402 -10.585 -10.295 348 H GLN 52 H GLN 52 -3.741 -11.621 -3.308 349 HA GLN 52 HA GLN 52 -3.583 -11.533 -0.363 350 HB2 GLN 52 HB2 GLN 52 -1.418 -10.986 -2.413 351 HB3 GLN 52 HB3 GLN 52 -1.212 -10.979 -0.666 352 HG2 GLN 52 HG2 GLN 52 -1.971 -13.351 -0.590 353 HG3 GLN 52 HG3 GLN 52 -2.033 -13.354 -2.352 354 HE21 GLN 52 HE21 GLN 52 -0.176 -14.207 -3.266 355 HE22 GLN 52 HE22 GLN 52 1.379 -14.110 -2.596 356 H MET 53 H MET 53 -3.089 -9.638 0.744 357 HA MET 53 HA MET 53 -3.509 -7.111 -0.728 358 HB2 MET 53 HB2 MET 53 -4.569 -7.770 2.042 359 HB3 MET 53 HB3 MET 53 -4.738 -6.234 1.193 360 HG2 MET 53 HG2 MET 53 -6.017 -7.391 -0.605 361 HG3 MET 53 HG3 MET 53 -5.863 -8.895 0.284 362 HE1 MET 53 HE1 MET 53 -7.845 -5.093 1.819 363 HE2 MET 53 HE2 MET 53 -8.175 -5.503 0.142 364 HE3 MET 53 HE3 MET 53 -6.512 -5.280 0.671 365 H SER 54 H SER 54 -2.358 -5.333 0.096 366 HA SER 54 HA SER 54 -0.430 -5.879 2.249 367 HB2 SER 54 HB2 SER 54 0.779 -6.374 0.209 368 HB3 SER 54 HB3 SER 54 0.329 -4.812 -0.472 369 HG SER 54 HG SER 54 2.450 -5.290 0.878 370 H LEU 55 H LEU 55 -0.118 -4.260 3.583 371 HA LEU 55 HA LEU 55 -1.161 -1.585 2.876 372 HB2 LEU 55 HB2 LEU 55 -1.022 -2.848 5.635 373 HB3 LEU 55 HB3 LEU 55 -1.663 -1.253 5.250 374 HG LEU 55 HG LEU 55 -2.791 -3.878 4.216 375 HD11 LEU 55 HD11 LEU 55 -3.687 -1.994 6.408 376 HD12 LEU 55 HD12 LEU 55 -3.205 -3.681 6.594 377 HD13 LEU 55 HD13 LEU 55 -4.702 -3.273 5.750 378 HD21 LEU 55 HD21 LEU 55 -3.307 -2.086 2.657 379 HD22 LEU 55 HD22 LEU 55 -3.693 -0.987 3.981 380 HD23 LEU 55 HD23 LEU 55 -4.759 -2.346 3.627 381 H GLY 56 H GLY 56 0.146 0.137 3.266 382 HA2 GLY 56 HA2 GLY 56 2.604 -0.223 4.801 383 HA3 GLY 56 HA3 GLY 56 2.797 0.181 3.100 384 H THR 57 H THR 57 3.622 1.743 5.369 385 HA THR 57 HA THR 57 1.994 4.182 4.955 386 HB THR 57 HB THR 57 2.346 4.792 7.296 387 HG1 THR 57 HG1 THR 57 3.890 3.870 8.344 388 HG21 THR 57 HG21 THR 57 1.464 1.993 7.712 389 HG22 THR 57 HG22 THR 57 0.563 2.861 6.475 390 HG23 THR 57 HG23 THR 57 0.645 3.495 8.117 391 H SER 58 H SER 58 3.169 6.194 5.237 392 HA SER 58 HA SER 58 5.786 6.138 4.078 393 HB2 SER 58 HB2 SER 58 5.672 8.540 4.197 394 HB3 SER 58 HB3 SER 58 4.071 7.943 3.755 395 HG SER 58 HG SER 58 3.459 8.170 5.914 396 H GLU 59 H GLU 59 7.677 7.238 5.084 397 HA GLU 59 HA GLU 59 8.385 6.052 7.542 398 HB2 GLU 59 HB2 GLU 59 10.408 7.458 7.444 399 HB3 GLU 59 HB3 GLU 59 10.063 6.731 5.876 400 HG2 GLU 59 HG2 GLU 59 8.971 8.836 5.144 401 HG3 GLU 59 HG3 GLU 59 9.350 9.566 6.706 402 H ASP 60 H ASP 60 6.821 9.084 6.854 403 HA ASP 60 HA ASP 60 6.995 9.872 9.694 404 HB2 ASP 60 HB2 ASP 60 7.681 11.481 7.806 405 HB3 ASP 60 HB3 ASP 60 5.952 11.620 7.477 406 H HIS 61 H HIS 61 5.019 8.011 7.919 407 HA HIS 61 HA HIS 61 2.829 7.374 8.007 408 HB2 HIS 61 HB2 HIS 61 3.014 8.832 10.652 409 HB3 HIS 61 HB3 HIS 61 1.629 7.849 10.160 410 HD2 HIS 61 HD2 HIS 61 5.562 7.181 10.531 411 HE1 HIS 61 HE1 HIS 61 3.444 3.633 11.395 412 HE2 HIS 61 HE2 HIS 61 5.749 4.691 11.283 413 H GLN 62 H GLN 62 3.581 9.977 6.786 414 HA GLN 62 HA GLN 62 1.315 11.740 7.155 415 HB2 GLN 62 HB2 GLN 62 2.374 13.076 5.347 416 HB3 GLN 62 HB3 GLN 62 3.486 12.734 6.674 417 HG2 GLN 62 HG2 GLN 62 4.571 10.995 5.437 418 HG3 GLN 62 HG3 GLN 62 3.344 11.030 4.176 419 HE21 GLN 62 HE21 GLN 62 6.458 11.827 4.528 420 HE22 GLN 62 HE22 GLN 62 6.542 13.257 3.616 421 H HIS 63 H HIS 63 2.242 9.165 4.976 422 HA HIS 63 HA HIS 63 -0.300 9.511 3.515 423 HB2 HIS 63 HB2 HIS 63 2.377 8.730 2.351 424 HB3 HIS 63 HB3 HIS 63 0.843 8.627 1.490 425 HD2 HIS 63 HD2 HIS 63 3.612 11.153 1.911 426 HE1 HIS 63 HE1 HIS 63 0.177 13.413 0.974 427 HE2 HIS 63 HE2 HIS 63 2.708 13.483 1.164 428 H PHE 64 H PHE 64 -1.383 7.655 2.895 429 HA PHE 64 HA PHE 64 -0.301 5.078 3.874 430 HB2 PHE 64 HB2 PHE 64 -3.153 6.046 4.216 431 HB3 PHE 64 HB3 PHE 64 -2.550 4.447 4.668 432 HD1 PHE 64 HD1 PHE 64 -3.208 7.706 5.890 433 HD2 PHE 64 HD2 PHE 64 -0.377 4.501 6.222 434 HE1 PHE 64 HE1 PHE 64 -2.450 8.600 8.077 435 HE2 PHE 64 HE2 PHE 64 0.383 5.393 8.409 436 HZ PHE 64 HZ PHE 64 -0.657 7.440 9.337 437 H THR 65 H THR 65 -0.694 3.299 2.739 438 HA THR 65 HA THR 65 -2.151 3.618 0.203 439 HB THR 65 HB THR 65 0.619 2.444 0.453 440 HG1 THR 65 HG1 THR 65 -0.209 4.935 -0.620 441 HG21 THR 65 HG21 THR 65 -0.665 1.565 -1.394 442 HG22 THR 65 HG22 THR 65 0.552 2.692 -2.005 443 HG23 THR 65 HG23 THR 65 -1.136 3.198 -1.867 444 H CYS 66 H CYS 66 -3.297 1.896 -0.429 445 HA CYS 66 HA CYS 66 -2.894 -0.704 0.925 446 HB2 CYS 66 HB2 CYS 66 -5.498 0.511 -0.037 447 HB3 CYS 66 HB3 CYS 66 -5.308 -1.122 0.612 448 H THR 67 H THR 67 -2.581 -2.433 -0.412 449 HA THR 67 HA THR 67 -3.135 -2.070 -3.301 450 HB THR 67 HB THR 67 -0.627 -3.286 -2.126 451 HG1 THR 67 HG1 THR 67 -0.471 -1.117 -1.907 452 HG21 THR 67 HG21 THR 67 -1.542 -4.122 -4.406 453 HG22 THR 67 HG22 THR 67 0.132 -3.573 -4.357 454 HG23 THR 67 HG23 THR 67 -1.123 -2.518 -5.003 455 H ILE 68 H ILE 68 -4.153 -3.701 -4.261 456 HA ILE 68 HA ILE 68 -4.288 -6.338 -2.894 457 HB ILE 68 HB ILE 68 -6.542 -4.945 -4.403 458 HG12 ILE 68 HG12 ILE 68 -6.391 -5.558 -1.424 459 HG13 ILE 68 HG13 ILE 68 -5.915 -4.002 -2.095 460 HG21 ILE 68 HG21 ILE 68 -6.481 -7.541 -2.820 461 HG22 ILE 68 HG22 ILE 68 -6.596 -7.413 -4.574 462 HG23 ILE 68 HG23 ILE 68 -7.917 -6.831 -3.559 463 HD11 ILE 68 HD11 ILE 68 -8.223 -3.866 -3.150 464 HD12 ILE 68 HD12 ILE 68 -8.213 -3.791 -1.387 465 HD13 ILE 68 HD13 ILE 68 -8.662 -5.287 -2.203 466 H TRP 69 H TRP 69 -3.509 -7.975 -4.176 467 HA TRP 69 HA TRP 69 -4.085 -7.984 -7.033 468 HB2 TRP 69 HB2 TRP 69 -1.827 -8.028 -7.874 469 HB3 TRP 69 HB3 TRP 69 -1.963 -6.620 -6.833 470 HD1 TRP 69 HD1 TRP 69 -0.096 -9.842 -7.242 471 HE1 TRP 69 HE1 TRP 69 1.635 -10.089 -5.349 472 HE3 TRP 69 HE3 TRP 69 -1.588 -6.042 -4.233 473 HZ2 TRP 69 HZ2 TRP 69 2.288 -8.833 -2.872 474 HZ3 TRP 69 HZ3 TRP 69 -0.401 -5.576 -2.098 475 HH2 TRP 69 HH2 TRP 69 1.541 -6.981 -1.423 476 H ARG 70 H ARG 70 -3.266 -9.947 -8.160 477 HA ARG 70 HA ARG 70 -3.474 -12.298 -6.429 478 HB2 ARG 70 HB2 ARG 70 -5.050 -12.119 -8.351 479 HB3 ARG 70 HB3 ARG 70 -3.676 -12.056 -9.452 480 HG2 ARG 70 HG2 ARG 70 -4.355 -14.312 -9.481 481 HG3 ARG 70 HG3 ARG 70 -2.953 -14.302 -8.412 482 HD2 ARG 70 HD2 ARG 70 -4.773 -13.920 -6.515 483 HD3 ARG 70 HD3 ARG 70 -5.872 -14.588 -7.720 484 HE ARG 70 HE ARG 70 -3.782 -16.006 -6.274 485 HH11 ARG 70 HH11 ARG 70 -5.920 -16.068 -9.060 486 HH12 ARG 70 HH12 ARG 70 -5.855 -17.792 -9.214 487 HH21 ARG 70 HH21 ARG 70 -3.768 -18.244 -6.477 488 HH22 ARG 70 HH22 ARG 70 -4.642 -19.015 -7.759 489 HA PRO 71 HA PRO 71 1.026 -12.738 -6.934 490 HB2 PRO 71 HB2 PRO 71 1.345 -15.336 -6.182 491 HB3 PRO 71 HB3 PRO 71 1.014 -14.027 -5.024 492 HG2 PRO 71 HG2 PRO 71 -0.903 -15.947 -6.264 493 HG3 PRO 71 HG3 PRO 71 -0.729 -15.503 -4.554 494 HD2 PRO 71 HD2 PRO 71 -2.638 -14.391 -6.038 495 HD3 PRO 71 HD3 PRO 71 -1.739 -13.408 -4.862 496 H GLN 72 H GLN 72 -1.185 -15.182 -8.222 497 HA GLN 72 HA GLN 72 0.572 -16.297 -10.164 498 HB2 GLN 72 HB2 GLN 72 -2.425 -16.277 -9.883 499 HB3 GLN 72 HB3 GLN 72 -1.593 -17.130 -11.196 500 HG2 GLN 72 HG2 GLN 72 -0.343 -18.463 -9.552 501 HG3 GLN 72 HG3 GLN 72 -1.102 -17.576 -8.230 502 HE21 GLN 72 HE21 GLN 72 -1.384 -20.385 -8.350 503 HE22 GLN 72 HE22 GLN 72 -2.991 -20.775 -8.733 504 H GLY 73 H GLY 73 -1.772 -13.683 -10.191 505 HA2 GLY 73 HA2 GLY 73 -1.561 -11.728 -11.525 506 HA3 GLY 73 HA3 GLY 73 -0.563 -12.637 -12.656 507 H LYS 74 H LYS 74 -2.856 -14.826 -12.329 508 HA LYS 74 HA LYS 74 -4.918 -13.514 -13.945 509 HB2 LYS 74 HB2 LYS 74 -4.936 -15.461 -15.532 510 HB3 LYS 74 HB3 LYS 74 -3.530 -14.408 -15.672 511 HG2 LYS 74 HG2 LYS 74 -2.165 -15.994 -14.405 512 HG3 LYS 74 HG3 LYS 74 -3.571 -17.011 -14.092 513 HD2 LYS 74 HD2 LYS 74 -2.432 -18.050 -15.911 514 HD3 LYS 74 HD3 LYS 74 -3.812 -17.223 -16.632 515 HE2 LYS 74 HE2 LYS 74 -2.377 -15.334 -17.267 516 HE3 LYS 74 HE3 LYS 74 -0.991 -16.111 -16.496 517 HZ1 LYS 74 HZ1 LYS 74 -1.352 -16.396 -19.020 518 HZ2 LYS 74 HZ2 LYS 74 -2.525 -17.539 -18.563 519 HZ3 LYS 74 HZ3 LYS 74 -0.904 -17.745 -18.097 520 H SER 75 H SER 75 -6.874 -14.021 -13.341 521 HA SER 75 HA SER 75 -7.345 -16.541 -11.866 522 HB2 SER 75 HB2 SER 75 -8.668 -13.841 -11.493 523 HB3 SER 75 HB3 SER 75 -9.171 -15.321 -10.683 524 HG SER 75 HG SER 75 -6.752 -13.871 -10.456 525 H TYR 76 H TYR 76 -9.052 -17.829 -12.593 526 HA TYR 76 HA TYR 76 -10.502 -16.795 -14.964 527 HB2 TYR 76 HB2 TYR 76 -9.698 -19.582 -14.134 528 HB3 TYR 76 HB3 TYR 76 -11.014 -19.329 -15.284 529 HD1 TYR 76 HD1 TYR 76 -7.392 -18.745 -14.661 530 HD2 TYR 76 HD2 TYR 76 -10.582 -18.623 -17.537 531 HE1 TYR 76 HE1 TYR 76 -5.741 -18.414 -16.482 532 HE2 TYR 76 HE2 TYR 76 -8.933 -18.293 -19.355 533 HH TYR 76 HH TYR 76 -6.710 -17.562 -19.703 534 H LEU 77 H LEU 77 -11.985 -15.668 -13.771 535 HA LEU 77 HA LEU 77 -14.295 -17.251 -13.020 536 HB2 LEU 77 HB2 LEU 77 -12.939 -15.296 -11.178 537 HB3 LEU 77 HB3 LEU 77 -14.679 -15.576 -11.058 538 HG LEU 77 HG LEU 77 -12.662 -17.843 -11.006 539 HD11 LEU 77 HD11 LEU 77 -13.902 -16.417 -8.632 540 HD12 LEU 77 HD12 LEU 77 -12.224 -16.238 -9.143 541 HD13 LEU 77 HD13 LEU 77 -12.808 -17.799 -8.570 542 HD21 LEU 77 HD21 LEU 77 -14.985 -18.483 -11.498 543 HD22 LEU 77 HD22 LEU 77 -15.552 -17.559 -10.108 544 HD23 LEU 77 HD23 LEU 77 -14.565 -18.998 -9.867 545 H TYR 78 H TYR 78 -16.286 -16.104 -13.315 546 HA TYR 78 HA TYR 78 -16.006 -13.934 -15.245 547 HB2 TYR 78 HB2 TYR 78 -17.574 -15.867 -15.609 548 HB3 TYR 78 HB3 TYR 78 -18.558 -15.249 -14.278 549 HD1 TYR 78 HD1 TYR 78 -17.286 -14.535 -17.687 550 HD2 TYR 78 HD2 TYR 78 -19.914 -13.265 -14.535 551 HE1 TYR 78 HE1 TYR 78 -18.375 -12.934 -19.239 552 HE2 TYR 78 HE2 TYR 78 -21.002 -11.667 -16.085 553 HH TYR 78 HH TYR 78 -20.581 -11.775 -19.430 554 H PHE 79 H PHE 79 -15.287 -12.262 -13.919 555 HA PHE 79 HA PHE 79 -16.773 -11.385 -11.599 556 HB2 PHE 79 HB2 PHE 79 -14.449 -10.255 -13.153 557 HB3 PHE 79 HB3 PHE 79 -15.251 -9.312 -11.898 558 HD1 PHE 79 HD1 PHE 79 -13.360 -12.443 -12.576 559 HD2 PHE 79 HD2 PHE 79 -14.922 -9.797 -9.577 560 HE1 PHE 79 HE1 PHE 79 -12.037 -13.620 -10.838 561 HE2 PHE 79 HE2 PHE 79 -13.604 -10.979 -7.845 562 HZ PHE 79 HZ PHE 79 -12.160 -12.891 -8.477 563 H THR 80 H THR 80 -18.405 -10.004 -11.504 564 HA THR 80 HA THR 80 -19.600 -8.967 -13.905 565 HB THR 80 HB THR 80 -20.239 -8.375 -10.993 566 HG1 THR 80 HG1 THR 80 -21.389 -10.205 -12.833 567 HG21 THR 80 HG21 THR 80 -21.940 -8.024 -13.481 568 HG22 THR 80 HG22 THR 80 -21.134 -6.707 -12.627 569 HG23 THR 80 HG23 THR 80 -22.407 -7.629 -11.826 570 H GLN 81 H GLN 81 -17.782 -7.673 -11.170 571 HA GLN 81 HA GLN 81 -16.347 -5.758 -12.550 572 HB2 GLN 81 HB2 GLN 81 -17.419 -3.628 -11.816 573 HB3 GLN 81 HB3 GLN 81 -18.400 -4.513 -12.982 574 HG2 GLN 81 HG2 GLN 81 -19.708 -5.471 -11.063 575 HG3 GLN 81 HG3 GLN 81 -18.776 -4.447 -9.968 576 HE21 GLN 81 HE21 GLN 81 -21.700 -4.543 -11.516 577 HE22 GLN 81 HE22 GLN 81 -21.985 -2.878 -11.689 578 H PHE 82 H PHE 82 -15.366 -4.074 -10.990 579 HA PHE 82 HA PHE 82 -15.340 -5.062 -8.226 580 HB2 PHE 82 HB2 PHE 82 -12.890 -5.037 -8.162 581 HB3 PHE 82 HB3 PHE 82 -13.533 -6.211 -9.308 582 HD1 PHE 82 HD1 PHE 82 -11.841 -2.966 -8.958 583 HD2 PHE 82 HD2 PHE 82 -13.201 -5.955 -11.707 584 HE1 PHE 82 HE1 PHE 82 -10.511 -1.898 -10.767 585 HE2 PHE 82 HE2 PHE 82 -11.881 -4.895 -13.523 586 HZ PHE 82 HZ PHE 82 -10.535 -2.865 -13.051 587 H LYS 83 H LYS 83 -14.674 -3.577 -6.665 588 HA LYS 83 HA LYS 83 -14.155 -0.829 -7.554 589 HB2 LYS 83 HB2 LYS 83 -16.451 -1.491 -5.685 590 HB3 LYS 83 HB3 LYS 83 -16.014 0.101 -6.314 591 HG2 LYS 83 HG2 LYS 83 -16.372 -0.913 -8.667 592 HG3 LYS 83 HG3 LYS 83 -17.105 -2.268 -7.838 593 HD2 LYS 83 HD2 LYS 83 -18.762 -0.812 -6.771 594 HD3 LYS 83 HD3 LYS 83 -18.057 0.589 -7.582 595 HE2 LYS 83 HE2 LYS 83 -18.530 -0.410 -9.762 596 HE3 LYS 83 HE3 LYS 83 -19.255 -1.818 -8.986 597 HZ1 LYS 83 HZ1 LYS 83 -20.898 -0.363 -7.963 598 HZ2 LYS 83 HZ2 LYS 83 -20.938 -0.213 -9.655 599 HZ3 LYS 83 HZ3 LYS 83 -20.200 0.991 -8.709 600 H ALA 84 H ALA 84 -13.349 0.575 -5.888 601 HA ALA 84 HA ALA 84 -12.650 -0.674 -3.330 602 HB1 ALA 84 HB1 ALA 84 -10.766 -1.062 -4.967 603 HB2 ALA 84 HB2 ALA 84 -10.319 -0.184 -3.504 604 HB3 ALA 84 HB3 ALA 84 -10.551 0.688 -5.019 605 H GLU 85 H GLU 85 -12.408 0.738 -1.655 606 HA GLU 85 HA GLU 85 -12.298 3.600 -2.082 607 HB2 GLU 85 HB2 GLU 85 -14.418 4.078 -0.901 608 HB3 GLU 85 HB3 GLU 85 -14.697 3.157 -2.381 609 HG2 GLU 85 HG2 GLU 85 -14.855 1.064 -1.081 610 HG3 GLU 85 HG3 GLU 85 -14.554 1.960 0.410 611 H VAL 86 H VAL 86 -12.164 4.776 0.057 612 HA VAL 86 HA VAL 86 -11.189 2.996 2.223 613 HB VAL 86 HB VAL 86 -9.389 4.601 2.714 614 HG11 VAL 86 HG11 VAL 86 -9.297 3.683 -0.172 615 HG12 VAL 86 HG12 VAL 86 -9.083 2.601 1.204 616 HG13 VAL 86 HG13 VAL 86 -7.931 3.906 0.921 617 HG21 VAL 86 HG21 VAL 86 -10.484 5.959 0.237 618 HG22 VAL 86 HG22 VAL 86 -8.830 6.230 0.786 619 HG23 VAL 86 HG23 VAL 86 -10.188 6.670 1.822 620 H ARG 87 H ARG 87 -11.152 3.902 4.344 621 HA ARG 87 HA ARG 87 -13.023 6.150 4.742 622 HB2 ARG 87 HB2 ARG 87 -13.017 3.545 6.274 623 HB3 ARG 87 HB3 ARG 87 -14.009 4.950 6.662 624 HG2 ARG 87 HG2 ARG 87 -14.114 3.520 3.983 625 HG3 ARG 87 HG3 ARG 87 -15.204 3.156 5.316 626 HD2 ARG 87 HD2 ARG 87 -14.923 5.862 3.960 627 HD3 ARG 87 HD3 ARG 87 -16.251 4.729 3.735 628 HE ARG 87 HE ARG 87 -15.816 6.465 6.033 629 HH11 ARG 87 HH11 ARG 87 -17.486 3.618 4.831 630 HH12 ARG 87 HH12 ARG 87 -18.729 3.688 6.036 631 HH21 ARG 87 HH21 ARG 87 -17.456 6.523 7.585 632 HH22 ARG 87 HH22 ARG 87 -18.708 5.327 7.587 633 H GLY 88 H GLY 88 -12.757 7.382 6.596 634 HA2 GLY 88 HA2 GLY 88 -11.674 8.228 8.479 635 HA3 GLY 88 HA3 GLY 88 -10.572 6.855 8.425 636 H ALA 89 H ALA 89 -10.630 8.122 5.340 637 HA ALA 89 HA ALA 89 -8.805 10.334 5.693 638 HB1 ALA 89 HB1 ALA 89 -7.763 7.813 4.412 639 HB2 ALA 89 HB2 ALA 89 -7.355 8.333 6.047 640 HB3 ALA 89 HB3 ALA 89 -6.879 9.319 4.664 641 H GLU 90 H GLU 90 -7.916 11.033 3.505 642 HA GLU 90 HA GLU 90 -10.054 10.749 1.489 643 HB2 GLU 90 HB2 GLU 90 -9.205 12.895 0.561 644 HB3 GLU 90 HB3 GLU 90 -9.720 13.053 2.239 645 HG2 GLU 90 HG2 GLU 90 -7.362 12.831 2.978 646 HG3 GLU 90 HG3 GLU 90 -6.853 12.706 1.293 647 H ILE 91 H ILE 91 -9.569 10.346 -0.663 648 HA ILE 91 HA ILE 91 -7.114 8.831 -1.086 649 HB ILE 91 HB ILE 91 -9.505 9.258 -2.927 650 HG12 ILE 91 HG12 ILE 91 -8.782 6.793 -1.300 651 HG13 ILE 91 HG13 ILE 91 -9.896 8.026 -0.707 652 HG21 ILE 91 HG21 ILE 91 -7.275 7.189 -3.073 653 HG22 ILE 91 HG22 ILE 91 -7.352 8.633 -4.082 654 HG23 ILE 91 HG23 ILE 91 -8.596 7.392 -4.225 655 HD11 ILE 91 HD11 ILE 91 -10.227 6.227 -3.120 656 HD12 ILE 91 HD12 ILE 91 -11.205 7.677 -2.890 657 HD13 ILE 91 HD13 ILE 91 -11.284 6.364 -1.714 658 H GLU 92 H GLU 92 -5.367 9.578 -2.037 659 HA GLU 92 HA GLU 92 -5.318 12.239 -3.213 660 HB2 GLU 92 HB2 GLU 92 -3.129 10.181 -2.826 661 HB3 GLU 92 HB3 GLU 92 -2.886 11.825 -3.422 662 HG2 GLU 92 HG2 GLU 92 -3.791 12.733 -1.327 663 HG3 GLU 92 HG3 GLU 92 -4.059 11.095 -0.725 664 H TYR 93 H TYR 93 -4.888 8.870 -4.212 665 HA TYR 93 HA TYR 93 -5.827 9.356 -6.840 666 HB2 TYR 93 HB2 TYR 93 -3.389 10.271 -6.825 667 HB3 TYR 93 HB3 TYR 93 -2.922 8.573 -6.798 668 HD1 TYR 93 HD1 TYR 93 -4.534 11.228 -8.785 669 HD2 TYR 93 HD2 TYR 93 -3.395 7.090 -8.682 670 HE1 TYR 93 HE1 TYR 93 -4.943 11.057 -11.226 671 HE2 TYR 93 HE2 TYR 93 -3.800 6.917 -11.124 672 HH TYR 93 HH TYR 93 -5.353 9.462 -12.916 673 H ALA 94 H ALA 94 -6.350 7.456 -7.872 674 HA ALA 94 HA ALA 94 -5.447 4.921 -6.661 675 HB1 ALA 94 HB1 ALA 94 -7.879 4.144 -7.236 676 HB2 ALA 94 HB2 ALA 94 -8.256 5.864 -7.129 677 HB3 ALA 94 HB3 ALA 94 -7.578 5.022 -5.736 678 H MET 95 H MET 95 -5.065 3.283 -8.077 679 HA MET 95 HA MET 95 -5.953 3.420 -10.830 680 HB2 MET 95 HB2 MET 95 -3.700 3.343 -11.819 681 HB3 MET 95 HB3 MET 95 -3.934 4.838 -10.908 682 HG2 MET 95 HG2 MET 95 -2.733 3.850 -8.981 683 HG3 MET 95 HG3 MET 95 -2.516 2.358 -9.906 684 HE1 MET 95 HE1 MET 95 -0.467 6.347 -10.140 685 HE2 MET 95 HE2 MET 95 -2.037 5.936 -9.459 686 HE3 MET 95 HE3 MET 95 -1.906 6.334 -11.169 687 H ALA 96 H ALA 96 -5.183 1.497 -12.088 688 HA ALA 96 HA ALA 96 -4.637 -0.842 -10.380 689 HB1 ALA 96 HB1 ALA 96 -6.567 -1.917 -10.924 690 HB2 ALA 96 HB2 ALA 96 -6.574 -1.293 -12.569 691 HB3 ALA 96 HB3 ALA 96 -7.163 -0.294 -11.247 692 H TYR 97 H TYR 97 -3.633 -2.604 -11.470 693 HA TYR 97 HA TYR 97 -2.538 -1.928 -14.146 694 HB2 TYR 97 HB2 TYR 97 -1.203 -3.383 -11.864 695 HB3 TYR 97 HB3 TYR 97 -0.529 -3.261 -13.488 696 HD1 TYR 97 HD1 TYR 97 -1.202 -1.497 -10.352 697 HD2 TYR 97 HD2 TYR 97 0.138 -1.057 -14.408 698 HE1 TYR 97 HE1 TYR 97 -0.255 0.729 -9.801 699 HE2 TYR 97 HE2 TYR 97 1.085 1.166 -13.856 700 HH TYR 97 HH TYR 97 1.317 2.303 -10.580 701 H SER 98 H SER 98 -3.536 -3.143 -15.623 702 HA SER 98 HA SER 98 -4.799 -5.636 -15.122 703 HB2 SER 98 HB2 SER 98 -3.887 -4.369 -17.713 704 HB3 SER 98 HB3 SER 98 -4.849 -5.845 -17.613 705 HG SER 98 HG SER 98 -5.887 -3.611 -17.780 706 H LYS 99 H LYS 99 -1.654 -4.758 -16.437 707 HA LYS 99 HA LYS 99 -0.668 -7.449 -15.855 708 HB2 LYS 99 HB2 LYS 99 -1.361 -7.397 -18.267 709 HB3 LYS 99 HB3 LYS 99 -0.184 -6.113 -18.528 710 HG2 LYS 99 HG2 LYS 99 1.001 -8.072 -19.127 711 HG3 LYS 99 HG3 LYS 99 1.547 -7.740 -17.484 712 HD2 LYS 99 HD2 LYS 99 1.047 -10.052 -17.438 713 HD3 LYS 99 HD3 LYS 99 -0.388 -9.313 -16.735 714 HE2 LYS 99 HE2 LYS 99 -1.201 -10.887 -18.329 715 HE3 LYS 99 HE3 LYS 99 -1.372 -9.313 -19.104 716 HZ1 LYS 99 HZ1 LYS 99 1.015 -9.851 -19.953 717 HZ2 LYS 99 HZ2 LYS 99 -0.340 -10.508 -20.739 718 HZ3 LYS 99 HZ3 LYS 99 0.559 -11.455 -19.654 719 H ALA 100 H ALA 100 1.329 -7.476 -15.084 720 HA ALA 100 HA ALA 100 2.664 -4.958 -14.540 721 HB1 ALA 100 HB1 ALA 100 2.422 -7.032 -12.961 722 HB2 ALA 100 HB2 ALA 100 3.933 -6.122 -12.974 723 HB3 ALA 100 HB3 ALA 100 3.811 -7.644 -13.858 724 H ALA 101 H ALA 101 4.628 -4.317 -15.339 725 HA ALA 101 HA ALA 101 5.322 -4.995 -17.958 726 HB1 ALA 101 HB1 ALA 101 6.207 -2.950 -17.426 727 HB2 ALA 101 HB2 ALA 101 7.633 -3.918 -17.078 728 HB3 ALA 101 HB3 ALA 101 6.564 -3.420 -15.768 729 H PHE 102 H PHE 102 6.629 -6.473 -18.870 730 HA PHE 102 HA PHE 102 7.584 -8.703 -17.357 731 HB2 PHE 102 HB2 PHE 102 6.895 -8.871 -19.752 732 HB3 PHE 102 HB3 PHE 102 8.267 -7.856 -20.199 733 HD1 PHE 102 HD1 PHE 102 7.306 -11.116 -18.674 734 HD2 PHE 102 HD2 PHE 102 10.476 -8.768 -20.375 735 HE1 PHE 102 HE1 PHE 102 8.765 -13.120 -18.724 736 HE2 PHE 102 HE2 PHE 102 11.934 -10.772 -20.425 737 HZ PHE 102 HZ PHE 102 11.079 -12.949 -19.601 738 H GLU 103 H GLU 103 9.391 -8.773 -16.199 739 HA GLU 103 HA GLU 103 11.428 -8.286 -15.333 740 HB2 GLU 103 HB2 GLU 103 12.164 -8.773 -17.719 741 HB3 GLU 103 HB3 GLU 103 12.161 -7.030 -17.992 742 HG2 GLU 103 HG2 GLU 103 13.772 -6.727 -16.157 743 HG3 GLU 103 HG3 GLU 103 13.755 -8.463 -15.841 744 H ARG 104 H ARG 104 11.250 -5.415 -17.478 745 HA ARG 104 HA ARG 104 10.744 -3.714 -15.119 746 HB2 ARG 104 HB2 ARG 104 12.942 -3.295 -17.145 747 HB3 ARG 104 HB3 ARG 104 12.478 -2.128 -15.904 748 HG2 ARG 104 HG2 ARG 104 13.265 -4.962 -15.201 749 HG3 ARG 104 HG3 ARG 104 14.458 -3.686 -15.389 750 HD2 ARG 104 HD2 ARG 104 12.070 -3.493 -13.530 751 HD3 ARG 104 HD3 ARG 104 13.663 -4.030 -13.014 752 HE ARG 104 HE ARG 104 14.055 -1.584 -14.280 753 HH11 ARG 104 HH11 ARG 104 12.253 -2.726 -11.489 754 HH12 ARG 104 HH12 ARG 104 12.369 -1.219 -10.643 755 HH21 ARG 104 HH21 ARG 104 14.185 0.366 -13.142 756 HH22 ARG 104 HH22 ARG 104 13.457 0.522 -11.578 757 H GLU 105 H GLU 105 10.114 -4.425 -18.393 758 HA GLU 105 HA GLU 105 8.719 -1.825 -18.775 759 HB2 GLU 105 HB2 GLU 105 10.158 -3.407 -20.906 760 HB3 GLU 105 HB3 GLU 105 9.294 -1.892 -21.141 761 HG2 GLU 105 HG2 GLU 105 10.840 -0.785 -19.530 762 HG3 GLU 105 HG3 GLU 105 11.741 -2.292 -19.393 763 H SER 106 H SER 106 7.005 -1.791 -20.340 764 HA SER 106 HA SER 106 5.197 -2.567 -21.486 765 HB2 SER 106 HB2 SER 106 5.037 -4.737 -22.278 766 HB3 SER 106 HB3 SER 106 6.751 -4.658 -21.849 767 HG SER 106 HG SER 106 5.997 -6.475 -20.877 768 H ASP 107 H ASP 107 4.987 -1.564 -18.972 769 HA ASP 107 HA ASP 107 3.089 -3.204 -17.467 770 HB2 ASP 107 HB2 ASP 107 4.814 -1.885 -16.269 771 HB3 ASP 107 HB3 ASP 107 4.114 -0.408 -16.924 772 H VAL 108 H VAL 108 1.000 -3.201 -18.069 773 HA VAL 108 HA VAL 108 -0.088 -0.844 -19.473 774 HB VAL 108 HB VAL 108 -1.140 -3.690 -19.272 775 HG11 VAL 108 HG11 VAL 108 -2.913 -1.924 -19.597 776 HG12 VAL 108 HG12 VAL 108 -2.774 -3.032 -20.963 777 HG13 VAL 108 HG13 VAL 108 -2.076 -1.415 -21.064 778 HG21 VAL 108 HG21 VAL 108 -0.516 -3.725 -21.724 779 HG22 VAL 108 HG22 VAL 108 0.869 -3.613 -20.638 780 HG23 VAL 108 HG23 VAL 108 0.295 -2.177 -21.485 781 HA PRO 109 HA PRO 109 -2.450 -0.349 -15.523 782 HB2 PRO 109 HB2 PRO 109 -2.661 2.277 -15.449 783 HB3 PRO 109 HB3 PRO 109 -1.073 1.507 -15.220 784 HG2 PRO 109 HG2 PRO 109 -2.183 2.823 -17.660 785 HG3 PRO 109 HG3 PRO 109 -0.556 2.940 -16.959 786 HD2 PRO 109 HD2 PRO 109 -1.260 1.254 -19.071 787 HD3 PRO 109 HD3 PRO 109 0.171 1.045 -18.033 788 H LEU 110 H LEU 110 -4.637 -0.022 -15.091 789 HA LEU 110 HA LEU 110 -6.489 0.243 -17.320 790 HB2 LEU 110 HB2 LEU 110 -6.881 -0.274 -14.364 791 HB3 LEU 110 HB3 LEU 110 -8.217 -0.094 -15.499 792 HG LEU 110 HG LEU 110 -5.988 -2.108 -15.895 793 HD11 LEU 110 HD11 LEU 110 -7.016 -2.842 -13.884 794 HD12 LEU 110 HD12 LEU 110 -7.835 -3.763 -15.138 795 HD13 LEU 110 HD13 LEU 110 -8.624 -2.357 -14.423 796 HD21 LEU 110 HD21 LEU 110 -7.161 -1.669 -17.947 797 HD22 LEU 110 HD22 LEU 110 -8.725 -1.651 -17.132 798 HD23 LEU 110 HD23 LEU 110 -7.848 -3.169 -17.324 799 H LYS 111 H LYS 111 -8.330 1.802 -17.194 800 HA LYS 111 HA LYS 111 -7.298 4.392 -16.324 801 HB2 LYS 111 HB2 LYS 111 -8.833 5.405 -17.831 802 HB3 LYS 111 HB3 LYS 111 -8.215 3.986 -18.674 803 HG2 LYS 111 HG2 LYS 111 -10.295 2.733 -17.915 804 HG3 LYS 111 HG3 LYS 111 -10.897 4.260 -17.274 805 HD2 LYS 111 HD2 LYS 111 -11.866 4.092 -19.440 806 HD3 LYS 111 HD3 LYS 111 -10.533 5.234 -19.615 807 HE2 LYS 111 HE2 LYS 111 -9.092 3.466 -20.510 808 HE3 LYS 111 HE3 LYS 111 -10.367 2.273 -20.262 809 HZ1 LYS 111 HZ1 LYS 111 -10.506 4.635 -22.060 810 HZ2 LYS 111 HZ2 LYS 111 -11.770 3.531 -21.792 811 HZ3 LYS 111 HZ3 LYS 111 -10.335 3.019 -22.546 812 H THR 112 H THR 112 -7.955 5.455 -14.588 813 HA THR 112 HA THR 112 -9.684 4.372 -12.655 814 HB THR 112 HB THR 112 -8.006 6.074 -12.096 815 HG1 THR 112 HG1 THR 112 -10.583 7.135 -11.615 816 HG21 THR 112 HG21 THR 112 -8.272 7.428 -14.183 817 HG22 THR 112 HG22 THR 112 -8.292 8.411 -12.720 818 HG23 THR 112 HG23 THR 112 -9.802 8.039 -13.552 819 H GLU 113 H GLU 113 -10.375 6.139 -15.533 820 HA GLU 113 HA GLU 113 -12.864 7.281 -14.944 821 HB2 GLU 113 HB2 GLU 113 -11.428 7.749 -16.952 822 HB3 GLU 113 HB3 GLU 113 -11.956 6.203 -17.617 823 HG2 GLU 113 HG2 GLU 113 -14.300 6.934 -17.494 824 HG3 GLU 113 HG3 GLU 113 -13.794 8.483 -16.819 825 H GLU 114 H GLU 114 -11.954 3.960 -15.690 826 HA GLU 114 HA GLU 114 -14.452 3.055 -16.604 827 HB2 GLU 114 HB2 GLU 114 -13.552 0.831 -16.451 828 HB3 GLU 114 HB3 GLU 114 -12.206 1.884 -16.836 829 HG2 GLU 114 HG2 GLU 114 -11.768 1.969 -14.296 830 HG3 GLU 114 HG3 GLU 114 -12.864 0.597 -14.192 831 H PHE 115 H PHE 115 -13.534 3.969 -13.439 832 HA PHE 115 HA PHE 115 -16.171 3.250 -12.469 833 HB2 PHE 115 HB2 PHE 115 -15.464 2.091 -10.456 834 HB3 PHE 115 HB3 PHE 115 -14.844 1.238 -11.871 835 HD1 PHE 115 HD1 PHE 115 -13.950 3.357 -8.989 836 HD2 PHE 115 HD2 PHE 115 -12.444 1.226 -12.394 837 HE1 PHE 115 HE1 PHE 115 -11.644 3.586 -8.109 838 HE2 PHE 115 HE2 PHE 115 -10.134 1.456 -11.520 839 HZ PHE 115 HZ PHE 115 -9.734 2.637 -9.376 840 H GLU 116 H GLU 116 -16.649 4.207 -10.316 841 HA GLU 116 HA GLU 116 -15.147 6.724 -9.890 842 HB2 GLU 116 HB2 GLU 116 -17.374 7.095 -10.914 843 HB3 GLU 116 HB3 GLU 116 -18.126 6.253 -9.558 844 HG2 GLU 116 HG2 GLU 116 -18.267 8.660 -9.167 845 HG3 GLU 116 HG3 GLU 116 -17.151 7.950 -8.004 846 H VAL 117 H VAL 117 -14.533 7.221 -7.847 847 HA VAL 117 HA VAL 117 -15.546 5.576 -5.605 848 HB VAL 117 HB VAL 117 -13.275 5.582 -4.619 849 HG11 VAL 117 HG11 VAL 117 -12.300 3.925 -6.176 850 HG12 VAL 117 HG12 VAL 117 -13.445 4.437 -7.415 851 HG13 VAL 117 HG13 VAL 117 -14.029 3.662 -5.944 852 HG21 VAL 117 HG21 VAL 117 -11.362 6.133 -6.214 853 HG22 VAL 117 HG22 VAL 117 -12.276 7.532 -5.649 854 HG23 VAL 117 HG23 VAL 117 -12.557 6.891 -7.267 855 H THR 118 H THR 118 -15.703 6.575 -3.613 856 HA THR 118 HA THR 118 -15.186 9.472 -3.471 857 HB THR 118 HB THR 118 -17.777 8.230 -2.533 858 HG1 THR 118 HG1 THR 118 -17.672 8.149 -4.791 859 HG21 THR 118 HG21 THR 118 -18.441 10.690 -2.618 860 HG22 THR 118 HG22 THR 118 -16.724 11.047 -2.806 861 HG23 THR 118 HG23 THR 118 -17.303 10.240 -1.348 862 H LYS 119 H LYS 119 -15.117 10.310 -1.314 863 HA LYS 119 HA LYS 119 -13.595 8.790 0.472 864 HB2 LYS 119 HB2 LYS 119 -13.994 10.606 2.091 865 HB3 LYS 119 HB3 LYS 119 -13.595 11.234 0.493 866 HG2 LYS 119 HG2 LYS 119 -16.176 11.317 0.115 867 HG3 LYS 119 HG3 LYS 119 -16.294 11.183 1.869 868 HD2 LYS 119 HD2 LYS 119 -14.473 13.268 0.638 869 HD3 LYS 119 HD3 LYS 119 -16.204 13.568 0.744 870 HE2 LYS 119 HE2 LYS 119 -15.365 14.481 2.749 871 HE3 LYS 119 HE3 LYS 119 -15.972 12.902 3.243 872 HZ1 LYS 119 HZ1 LYS 119 -13.175 13.207 2.370 873 HZ2 LYS 119 HZ2 LYS 119 -13.857 12.043 3.404 874 HZ3 LYS 119 HZ3 LYS 119 -13.617 13.634 3.950 875 H THR 120 H THR 120 -17.041 8.935 0.067 876 HA THR 120 HA THR 120 -17.390 6.896 2.123 877 HB THR 120 HB THR 120 -17.685 8.988 3.365 878 HG1 THR 120 HG1 THR 120 -18.996 7.444 4.129 879 HG21 THR 120 HG21 THR 120 -19.813 9.562 1.282 880 HG22 THR 120 HG22 THR 120 -18.356 10.503 1.601 881 HG23 THR 120 HG23 THR 120 -19.650 10.450 2.797 882 H ALA 121 H ALA 121 -17.635 7.134 -0.847 883 HA ALA 121 HA ALA 121 -20.148 5.724 -1.124 884 HB1 ALA 121 HB1 ALA 121 -19.815 8.516 -2.045 885 HB2 ALA 121 HB2 ALA 121 -21.281 7.627 -1.640 886 HB3 ALA 121 HB3 ALA 121 -20.530 7.412 -3.220 887 H VAL 122 H VAL 122 -20.376 4.731 -3.256 888 HA VAL 122 HA VAL 122 -17.973 4.699 -4.923 889 HB VAL 122 HB VAL 122 -17.631 2.910 -3.254 890 HG11 VAL 122 HG11 VAL 122 -20.197 1.746 -4.370 891 HG12 VAL 122 HG12 VAL 122 -19.989 2.422 -2.755 892 HG13 VAL 122 HG13 VAL 122 -19.127 0.954 -3.213 893 HG21 VAL 122 HG21 VAL 122 -16.666 2.505 -5.426 894 HG22 VAL 122 HG22 VAL 122 -18.227 2.026 -6.089 895 HG23 VAL 122 HG23 VAL 122 -17.416 0.991 -4.913 896 H ALA 123 H ALA 123 -18.377 4.378 -7.072 897 HA ALA 123 HA ALA 123 -20.974 3.364 -7.956 898 HB1 ALA 123 HB1 ALA 123 -20.012 6.179 -8.430 899 HB2 ALA 123 HB2 ALA 123 -21.559 5.647 -7.774 900 HB3 ALA 123 HB3 ALA 123 -21.195 5.402 -9.481 901 H HIS 124 H HIS 124 -21.053 2.999 -10.294 902 HA HIS 124 HA HIS 124 -18.386 2.387 -11.381 903 HB2 HIS 124 HB2 HIS 124 -19.534 0.751 -12.835 904 HB3 HIS 124 HB3 HIS 124 -19.832 0.426 -11.131 905 HD2 HIS 124 HD2 HIS 124 -21.839 1.233 -14.343 906 HE1 HIS 124 HE1 HIS 124 -24.577 1.367 -11.132 907 HE2 HIS 124 HE2 HIS 124 -24.355 1.368 -13.662 908 H ARG 125 H ARG 125 -17.958 2.717 -13.608 909 HA ARG 125 HA ARG 125 -19.515 4.924 -14.823 910 HB2 ARG 125 HB2 ARG 125 -16.584 4.234 -15.167 911 HB3 ARG 125 HB3 ARG 125 -17.430 5.548 -15.982 912 HG2 ARG 125 HG2 ARG 125 -17.280 5.324 -12.959 913 HG3 ARG 125 HG3 ARG 125 -16.099 6.228 -13.910 914 HD2 ARG 125 HD2 ARG 125 -19.094 6.742 -13.875 915 HD3 ARG 125 HD3 ARG 125 -17.878 7.709 -13.042 916 HE ARG 125 HE ARG 125 -18.476 7.740 -15.888 917 HH11 ARG 125 HH11 ARG 125 -16.067 8.501 -13.445 918 HH12 ARG 125 HH12 ARG 125 -15.267 9.682 -14.428 919 HH21 ARG 125 HH21 ARG 125 -17.410 9.300 -17.131 920 HH22 ARG 125 HH22 ARG 125 -16.025 10.130 -16.502 921 HA PRO 126 HA PRO 126 -20.472 2.311 -18.360 922 HB2 PRO 126 HB2 PRO 126 -19.561 4.583 -20.077 923 HB3 PRO 126 HB3 PRO 126 -21.097 3.688 -20.108 924 HG2 PRO 126 HG2 PRO 126 -21.034 6.115 -19.117 925 HG3 PRO 126 HG3 PRO 126 -21.959 4.844 -18.289 926 HD2 PRO 126 HD2 PRO 126 -19.270 5.978 -17.562 927 HD3 PRO 126 HD3 PRO 126 -20.636 5.542 -16.501 928 H GLY 127 H GLY 127 -19.333 0.878 -19.645 929 HA2 GLY 127 HA2 GLY 127 -17.543 -0.018 -20.857 930 HA3 GLY 127 HA3 GLY 127 -16.626 1.453 -20.537 931 H ALA 128 H ALA 128 -18.048 0.129 -17.709 932 HA ALA 128 HA ALA 128 -15.638 -0.320 -16.365 933 HB1 ALA 128 HB1 ALA 128 -17.903 0.010 -15.313 934 HB2 ALA 128 HB2 ALA 128 -16.959 -1.309 -14.620 935 HB3 ALA 128 HB3 ALA 128 -18.275 -1.660 -15.741 936 H PHE 129 H PHE 129 -14.506 -2.175 -15.823 937 HA PHE 129 HA PHE 129 -14.540 -4.247 -17.863 938 HB2 PHE 129 HB2 PHE 129 -12.713 -3.707 -15.525 939 HB3 PHE 129 HB3 PHE 129 -12.529 -5.105 -16.584 940 HD1 PHE 129 HD1 PHE 129 -12.387 -1.423 -16.388 941 HD2 PHE 129 HD2 PHE 129 -11.798 -4.863 -18.884 942 HE1 PHE 129 HE1 PHE 129 -11.199 -0.014 -18.049 943 HE2 PHE 129 HE2 PHE 129 -10.611 -3.458 -20.546 944 HZ PHE 129 HZ PHE 129 -10.311 -1.032 -20.129 945 H LYS 130 H LYS 130 -14.902 -6.406 -17.633 946 HA LYS 130 HA LYS 130 -15.838 -7.409 -15.033 947 HB2 LYS 130 HB2 LYS 130 -17.745 -8.605 -16.229 948 HB3 LYS 130 HB3 LYS 130 -17.933 -6.862 -16.056 949 HG2 LYS 130 HG2 LYS 130 -17.227 -6.525 -18.378 950 HG3 LYS 130 HG3 LYS 130 -16.879 -8.247 -18.553 951 HD2 LYS 130 HD2 LYS 130 -19.026 -7.974 -19.526 952 HD3 LYS 130 HD3 LYS 130 -19.343 -8.646 -17.927 953 HE2 LYS 130 HE2 LYS 130 -20.880 -6.812 -18.266 954 HE3 LYS 130 HE3 LYS 130 -19.673 -6.287 -17.092 955 HZ1 LYS 130 HZ1 LYS 130 -19.134 -5.795 -19.925 956 HZ2 LYS 130 HZ2 LYS 130 -18.714 -4.871 -18.561 957 HZ3 LYS 130 HZ3 LYS 130 -20.300 -4.826 -19.169 958 H ALA 131 H ALA 131 -14.859 -8.168 -18.352 959 HA ALA 131 HA ALA 131 -14.338 -10.959 -17.681 960 HB1 ALA 131 HB1 ALA 131 -14.151 -9.385 -20.240 961 HB2 ALA 131 HB2 ALA 131 -15.301 -10.653 -19.818 962 HB3 ALA 131 HB3 ALA 131 -13.610 -11.058 -20.110 963 H GLU 132 H GLU 132 -12.563 -8.074 -17.498 964 HA GLU 132 HA GLU 132 -9.977 -9.429 -17.915 965 HB2 GLU 132 HB2 GLU 132 -10.386 -7.301 -19.147 966 HB3 GLU 132 HB3 GLU 132 -10.557 -6.467 -17.601 967 HG2 GLU 132 HG2 GLU 132 -8.247 -7.077 -16.997 968 HG3 GLU 132 HG3 GLU 132 -8.070 -7.965 -18.507 969 H LEU 133 H LEU 133 -8.537 -9.744 -16.352 970 HA LEU 133 HA LEU 133 -9.351 -9.138 -13.586 971 HB2 LEU 133 HB2 LEU 133 -7.601 -11.245 -14.843 972 HB3 LEU 133 HB3 LEU 133 -7.378 -10.820 -13.150 973 HG LEU 133 HG LEU 133 -8.880 -12.768 -13.439 974 HD11 LEU 133 HD11 LEU 133 -9.141 -11.004 -11.569 975 HD12 LEU 133 HD12 LEU 133 -10.455 -12.152 -11.815 976 HD13 LEU 133 HD13 LEU 133 -10.596 -10.507 -12.435 977 HD21 LEU 133 HD21 LEU 133 -9.872 -11.953 -15.651 978 HD22 LEU 133 HD22 LEU 133 -10.902 -10.885 -14.698 979 HD23 LEU 133 HD23 LEU 133 -11.033 -12.633 -14.511 980 H SER 134 H SER 134 -8.065 -7.944 -12.225 981 HA SER 134 HA SER 134 -5.391 -7.146 -12.995 982 HB2 SER 134 HB2 SER 134 -6.748 -5.601 -14.340 983 HB3 SER 134 HB3 SER 134 -7.606 -5.093 -12.892 984 HG SER 134 HG SER 134 -5.451 -4.050 -13.838 985 H LYS 135 H LYS 135 -4.565 -5.401 -11.448 986 HA LYS 135 HA LYS 135 -5.563 -5.942 -8.718 987 HB2 LYS 135 HB2 LYS 135 -3.256 -5.504 -7.939 988 HB3 LYS 135 HB3 LYS 135 -3.352 -6.941 -8.955 989 HG2 LYS 135 HG2 LYS 135 -2.562 -5.561 -10.877 990 HG3 LYS 135 HG3 LYS 135 -2.429 -4.168 -9.799 991 HD2 LYS 135 HD2 LYS 135 -0.838 -5.434 -8.381 992 HD3 LYS 135 HD3 LYS 135 -0.929 -6.789 -9.509 993 HE2 LYS 135 HE2 LYS 135 -0.019 -3.991 -10.245 994 HE3 LYS 135 HE3 LYS 135 1.062 -5.345 -9.913 995 HZ1 LYS 135 HZ1 LYS 135 0.102 -6.556 -11.739 996 HZ2 LYS 135 HZ2 LYS 135 0.634 -5.041 -12.292 997 HZ3 LYS 135 HZ3 LYS 135 -1.021 -5.320 -12.033 998 H LEU 136 H LEU 136 -5.545 -4.263 -7.214 999 HA LEU 136 HA LEU 136 -5.582 -1.566 -8.420 1000 HB2 LEU 136 HB2 LEU 136 -7.186 -2.760 -6.165 1001 HB3 LEU 136 HB3 LEU 136 -7.161 -1.033 -6.523 1002 HG LEU 136 HG LEU 136 -7.857 -3.084 -8.630 1003 HD11 LEU 136 HD11 LEU 136 -9.644 -1.684 -6.625 1004 HD12 LEU 136 HD12 LEU 136 -9.493 -3.420 -6.897 1005 HD13 LEU 136 HD13 LEU 136 -10.248 -2.396 -8.117 1006 HD21 LEU 136 HD21 LEU 136 -8.623 -1.236 -9.884 1007 HD22 LEU 136 HD22 LEU 136 -7.216 -0.546 -9.088 1008 HD23 LEU 136 HD23 LEU 136 -8.821 -0.211 -8.467 1009 H VAL 137 H VAL 137 -4.709 0.147 -7.383 1010 HA VAL 137 HA VAL 137 -3.366 -0.254 -4.815 1011 HB VAL 137 HB VAL 137 -1.640 -0.596 -6.572 1012 HG11 VAL 137 HG11 VAL 137 -2.711 0.821 -8.311 1013 HG12 VAL 137 HG12 VAL 137 -1.004 1.191 -8.075 1014 HG13 VAL 137 HG13 VAL 137 -2.236 2.254 -7.397 1015 HG21 VAL 137 HG21 VAL 137 -1.180 0.598 -4.347 1016 HG22 VAL 137 HG22 VAL 137 -1.207 2.103 -5.267 1017 HG23 VAL 137 HG23 VAL 137 -0.001 0.867 -5.630 1018 H ILE 138 H ILE 138 -4.001 1.279 -3.474 1019 HA ILE 138 HA ILE 138 -4.993 3.846 -4.583 1020 HB ILE 138 HB ILE 138 -6.062 2.381 -2.142 1021 HG12 ILE 138 HG12 ILE 138 -8.164 2.279 -3.789 1022 HG13 ILE 138 HG13 ILE 138 -6.931 2.422 -5.045 1023 HG21 ILE 138 HG21 ILE 138 -6.878 4.928 -3.567 1024 HG22 ILE 138 HG22 ILE 138 -6.435 4.731 -1.871 1025 HG23 ILE 138 HG23 ILE 138 -7.958 4.069 -2.468 1026 HD11 ILE 138 HD11 ILE 138 -6.747 0.174 -4.880 1027 HD12 ILE 138 HD12 ILE 138 -7.652 0.128 -3.375 1028 HD13 ILE 138 HD13 ILE 138 -5.917 0.417 -3.345 1029 H VAL 139 H VAL 139 -4.089 5.636 -3.844 1030 HA VAL 139 HA VAL 139 -2.488 5.518 -1.350 1031 HB VAL 139 HB VAL 139 -2.151 7.366 -3.752 1032 HG11 VAL 139 HG11 VAL 139 -1.548 8.426 -1.581 1033 HG12 VAL 139 HG12 VAL 139 -0.135 8.170 -2.604 1034 HG13 VAL 139 HG13 VAL 139 -0.451 7.084 -1.250 1035 HG21 VAL 139 HG21 VAL 139 -0.279 5.206 -2.729 1036 HG22 VAL 139 HG22 VAL 139 -0.130 6.130 -4.224 1037 HG23 VAL 139 HG23 VAL 139 -1.426 4.947 -4.046 1038 H ALA 140 H ALA 140 -3.324 6.620 0.303 1039 HA ALA 140 HA ALA 140 -5.130 8.897 -0.242 1040 HB1 ALA 140 HB1 ALA 140 -6.653 7.215 0.319 1041 HB2 ALA 140 HB2 ALA 140 -6.393 8.059 1.846 1042 HB3 ALA 140 HB3 ALA 140 -5.584 6.522 1.538 1043 H LYS 141 H LYS 141 -5.092 10.580 1.157 1044 HA LYS 141 HA LYS 141 -2.807 10.715 2.987 1045 HB2 LYS 141 HB2 LYS 141 -3.310 12.462 1.158 1046 HB3 LYS 141 HB3 LYS 141 -4.632 12.982 2.205 1047 HG2 LYS 141 HG2 LYS 141 -2.917 13.151 4.083 1048 HG3 LYS 141 HG3 LYS 141 -1.678 12.957 2.847 1049 HD2 LYS 141 HD2 LYS 141 -3.751 15.067 2.281 1050 HD3 LYS 141 HD3 LYS 141 -2.672 15.393 3.630 1051 HE2 LYS 141 HE2 LYS 141 -1.552 16.323 1.774 1052 HE3 LYS 141 HE3 LYS 141 -0.755 14.769 2.017 1053 HZ1 LYS 141 HZ1 LYS 141 -3.015 15.181 0.139 1054 HZ2 LYS 141 HZ2 LYS 141 -2.027 13.806 0.280 1055 HZ3 LYS 141 HZ3 LYS 141 -1.387 15.259 -0.326 1056 H ALA 142 H ALA 142 -3.072 10.823 5.164 1057 HA ALA 142 HA ALA 142 -5.515 10.140 6.369 1058 HB1 ALA 142 HB1 ALA 142 -4.283 9.967 8.259 1059 HB2 ALA 142 HB2 ALA 142 -3.639 11.602 8.113 1060 HB3 ALA 142 HB3 ALA 142 -2.904 10.280 7.209 1061 H SER 143 H SER 143 -7.291 11.329 6.413 1062 HA SER 143 HA SER 143 -7.399 14.137 6.041 1063 HB2 SER 143 HB2 SER 143 -9.458 12.200 7.116 1064 HB3 SER 143 HB3 SER 143 -9.784 13.894 6.773 1065 HG SER 143 HG SER 143 -8.657 12.103 4.877 1066 H ARG 144 H ARG 144 -7.479 12.101 8.916 1067 HA ARG 144 HA ARG 144 -7.337 14.517 10.618 1068 HB2 ARG 144 HB2 ARG 144 -9.354 12.807 10.721 1069 HB3 ARG 144 HB3 ARG 144 -8.218 11.836 11.655 1070 HG2 ARG 144 HG2 ARG 144 -7.868 13.819 13.169 1071 HG3 ARG 144 HG3 ARG 144 -9.152 14.653 12.293 1072 HD2 ARG 144 HD2 ARG 144 -9.440 12.034 13.802 1073 HD3 ARG 144 HD3 ARG 144 -10.044 13.601 14.329 1074 HE ARG 144 HE ARG 144 -11.192 11.892 12.250 1075 HH11 ARG 144 HH11 ARG 144 -11.169 15.086 13.719 1076 HH12 ARG 144 HH12 ARG 144 -12.720 15.520 13.082 1077 HH21 ARG 144 HH21 ARG 144 -13.204 12.504 11.432 1078 HH22 ARG 144 HH22 ARG 144 -13.868 14.061 11.799 1079 H THR 145 H THR 145 -6.057 14.222 12.650 1080 HA THR 145 HA THR 145 -3.773 12.412 12.234 1081 HB THR 145 HB THR 145 -3.848 15.079 13.698 1082 HG1 THR 145 HG1 THR 145 -2.534 14.374 11.291 1083 HG21 THR 145 HG21 THR 145 -1.465 14.825 13.966 1084 HG22 THR 145 HG22 THR 145 -1.449 13.373 12.966 1085 HG23 THR 145 HG23 THR 145 -2.209 13.339 14.557 1086 H GLU 146 H GLU 146 -3.763 10.813 13.578 1087 HA GLU 146 HA GLU 146 -4.525 11.173 16.370 1088 HB2 GLU 146 HB2 GLU 146 -6.569 10.493 15.084 1089 HB3 GLU 146 HB3 GLU 146 -5.743 8.981 14.690 1090 HG2 GLU 146 HG2 GLU 146 -7.157 8.620 16.647 1091 HG3 GLU 146 HG3 GLU 146 -5.468 8.528 17.121 1092 H LEU 147 H LEU 147 -3.451 9.809 17.753 1093 HA LEU 147 HA LEU 147 -1.820 8.388 18.502 1094 HB2 LEU 147 HB2 LEU 147 -2.645 6.896 15.999 1095 HB3 LEU 147 HB3 LEU 147 -1.456 6.271 17.138 1096 HG LEU 147 HG LEU 147 -4.240 7.123 17.978 1097 HD11 LEU 147 HD11 LEU 147 -4.385 5.277 16.340 1098 HD12 LEU 147 HD12 LEU 147 -4.810 4.720 17.957 1099 HD13 LEU 147 HD13 LEU 147 -3.222 4.349 17.286 1100 HD21 LEU 147 HD21 LEU 147 -1.977 5.562 19.263 1101 HD22 LEU 147 HD22 LEU 147 -3.625 5.500 19.889 1102 HD23 LEU 147 HD23 LEU 147 -2.749 7.031 19.859 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 13.730 12.258 1.357 2 H2 GLY 1 HT2 GLY 1 14.363 13.829 1.222 3 H3 GLY 1 HT3 GLY 1 12.858 13.577 1.969 4 HA2 GLY 1 HA2 GLY 1 15.326 12.347 3.029 5 HA3 GLY 1 HA3 GLY 1 14.850 13.985 3.476 6 H SER 2 H SER 2 13.773 10.610 3.450 7 HA SER 2 HA SER 2 12.360 11.031 5.973 8 HB2 SER 2 HB2 SER 2 10.621 11.455 4.303 9 HB3 SER 2 HB3 SER 2 10.990 9.925 3.516 10 HG SER 2 HG SER 2 10.266 8.850 5.317 11 H LYS 3 H LYS 3 12.271 9.230 7.256 12 HA LYS 3 HA LYS 3 12.981 6.609 6.183 13 HB2 LYS 3 HB2 LYS 3 15.144 7.786 6.730 14 HB3 LYS 3 HB3 LYS 3 14.622 7.821 8.417 15 HG2 LYS 3 HG2 LYS 3 14.407 5.342 8.383 16 HG3 LYS 3 HG3 LYS 3 14.996 5.329 6.719 17 HD2 LYS 3 HD2 LYS 3 16.581 6.537 9.006 18 HD3 LYS 3 HD3 LYS 3 16.759 4.856 8.506 19 HE2 LYS 3 HE2 LYS 3 17.331 5.621 6.208 20 HE3 LYS 3 HE3 LYS 3 17.221 7.294 6.754 21 HZ1 LYS 3 HZ1 LYS 3 18.892 6.510 8.538 22 HZ2 LYS 3 HZ2 LYS 3 19.453 6.843 6.969 23 HZ3 LYS 3 HZ3 LYS 3 19.205 5.236 7.465 24 H GLY 4 H GLY 4 12.018 4.982 7.288 25 HA2 GLY 4 HA2 GLY 4 10.495 5.691 9.724 26 HA3 GLY 4 HA3 GLY 4 10.063 4.413 8.593 27 H THR 5 H THR 5 10.887 4.651 11.612 28 HA THR 5 HA THR 5 13.118 2.777 11.699 29 HB THR 5 HB THR 5 13.092 4.630 13.315 30 HG1 THR 5 HG1 THR 5 13.911 2.466 13.821 31 HG21 THR 5 HG21 THR 5 11.389 5.051 14.825 32 HG22 THR 5 HG22 THR 5 10.835 3.379 14.834 33 HG23 THR 5 HG23 THR 5 10.430 4.432 13.484 34 H VAL 6 H VAL 6 9.684 2.833 12.696 35 HA VAL 6 HA VAL 6 9.699 -0.114 12.615 36 HB VAL 6 HB VAL 6 8.261 1.610 14.672 37 HG11 VAL 6 HG11 VAL 6 8.407 -1.414 14.452 38 HG12 VAL 6 HG12 VAL 6 7.013 -0.448 13.971 39 HG13 VAL 6 HG13 VAL 6 7.516 -0.488 15.661 40 HG21 VAL 6 HG21 VAL 6 10.444 -0.447 15.133 41 HG22 VAL 6 HG22 VAL 6 9.798 0.718 16.290 42 HG23 VAL 6 HG23 VAL 6 10.787 1.273 14.940 43 H SER 7 H SER 7 8.256 -0.891 11.235 44 HA SER 7 HA SER 7 5.651 0.206 10.905 45 HB2 SER 7 HB2 SER 7 5.863 0.844 8.512 46 HB3 SER 7 HB3 SER 7 6.840 1.862 9.564 47 HG SER 7 HG SER 7 7.665 -0.331 7.956 48 H GLU 8 H GLU 8 5.905 -2.198 11.677 49 HA GLU 8 HA GLU 8 6.597 -4.219 9.872 50 HB2 GLU 8 HB2 GLU 8 5.353 -5.747 11.377 51 HB3 GLU 8 HB3 GLU 8 6.405 -4.647 12.269 52 HG2 GLU 8 HG2 GLU 8 4.468 -3.175 12.736 53 HG3 GLU 8 HG3 GLU 8 3.417 -4.274 11.848 54 HA PRO 9 HA PRO 9 2.887 -4.135 7.225 55 HB2 PRO 9 HB2 PRO 9 3.447 -6.103 5.541 56 HB3 PRO 9 HB3 PRO 9 4.454 -4.637 5.572 57 HG2 PRO 9 HG2 PRO 9 4.989 -7.310 6.787 58 HG3 PRO 9 HG3 PRO 9 6.081 -6.248 5.878 59 HD2 PRO 9 HD2 PRO 9 6.021 -6.377 8.638 60 HD3 PRO 9 HD3 PRO 9 6.589 -4.962 7.721 61 H THR 10 H THR 10 0.994 -5.365 6.772 62 HA THR 10 HA THR 10 0.642 -7.825 8.378 63 HB THR 10 HB THR 10 -1.412 -5.653 7.844 64 HG1 THR 10 HG1 THR 10 -0.452 -4.821 9.505 65 HG21 THR 10 HG21 THR 10 -2.586 -7.072 9.734 66 HG22 THR 10 HG22 THR 10 -1.555 -8.373 9.143 67 HG23 THR 10 HG23 THR 10 -2.706 -7.595 8.056 68 H THR 11 H THR 11 -0.022 -9.572 7.248 69 HA THR 11 HA THR 11 -0.826 -9.175 4.431 70 HB THR 11 HB THR 11 0.448 -11.606 5.738 71 HG1 THR 11 HG1 THR 11 2.265 -10.716 5.191 72 HG21 THR 11 HG21 THR 11 -0.065 -11.005 2.806 73 HG22 THR 11 HG22 THR 11 -1.022 -12.123 3.779 74 HG23 THR 11 HG23 THR 11 0.679 -12.464 3.463 75 H VAL 12 H VAL 12 -2.805 -9.715 3.800 76 HA VAL 12 HA VAL 12 -4.399 -11.563 5.470 77 HB VAL 12 HB VAL 12 -5.392 -8.998 4.174 78 HG11 VAL 12 HG11 VAL 12 -7.117 -10.753 4.183 79 HG12 VAL 12 HG12 VAL 12 -7.517 -9.491 5.348 80 HG13 VAL 12 HG13 VAL 12 -6.849 -11.025 5.906 81 HG21 VAL 12 HG21 VAL 12 -5.490 -8.040 6.327 82 HG22 VAL 12 HG22 VAL 12 -3.945 -8.882 6.340 83 HG23 VAL 12 HG23 VAL 12 -5.343 -9.596 7.144 84 H ALA 13 H ALA 13 -5.340 -13.188 4.366 85 HA ALA 13 HA ALA 13 -5.486 -13.002 1.413 86 HB1 ALA 13 HB1 ALA 13 -3.908 -14.738 2.541 87 HB2 ALA 13 HB2 ALA 13 -4.955 -15.273 1.227 88 HB3 ALA 13 HB3 ALA 13 -5.396 -15.615 2.900 89 H PHE 14 H PHE 14 -7.399 -13.734 0.375 90 HA PHE 14 HA PHE 14 -9.578 -14.717 2.054 91 HB2 PHE 14 HB2 PHE 14 -11.145 -12.958 1.375 92 HB3 PHE 14 HB3 PHE 14 -9.776 -12.269 2.242 93 HD1 PHE 14 HD1 PHE 14 -11.468 -12.561 -1.009 94 HD2 PHE 14 HD2 PHE 14 -8.049 -10.967 1.043 95 HE1 PHE 14 HE1 PHE 14 -10.995 -11.082 -2.944 96 HE2 PHE 14 HE2 PHE 14 -7.579 -9.492 -0.896 97 HZ PHE 14 HZ PHE 14 -9.047 -9.546 -2.884 98 H ASP 15 H ASP 15 -11.467 -15.400 0.828 99 HA ASP 15 HA ASP 15 -10.678 -16.441 -1.809 100 HB2 ASP 15 HB2 ASP 15 -12.924 -17.310 0.027 101 HB3 ASP 15 HB3 ASP 15 -12.475 -18.073 -1.496 102 H VAL 16 H VAL 16 -11.608 -15.740 -3.601 103 HA VAL 16 HA VAL 16 -13.897 -13.909 -3.449 104 HB VAL 16 HB VAL 16 -12.051 -14.614 -5.773 105 HG11 VAL 16 HG11 VAL 16 -14.398 -12.730 -5.520 106 HG12 VAL 16 HG12 VAL 16 -14.083 -13.926 -6.770 107 HG13 VAL 16 HG13 VAL 16 -13.136 -12.443 -6.719 108 HG21 VAL 16 HG21 VAL 16 -10.991 -12.489 -5.394 109 HG22 VAL 16 HG22 VAL 16 -11.071 -13.282 -3.819 110 HG23 VAL 16 HG23 VAL 16 -12.222 -12.009 -4.227 111 H ARG 17 H ARG 17 -15.765 -14.981 -3.411 112 HA ARG 17 HA ARG 17 -16.053 -17.400 -5.056 113 HB2 ARG 17 HB2 ARG 17 -17.584 -16.521 -2.605 114 HB3 ARG 17 HB3 ARG 17 -17.941 -17.974 -3.542 115 HG2 ARG 17 HG2 ARG 17 -15.741 -18.893 -3.088 116 HG3 ARG 17 HG3 ARG 17 -15.226 -17.390 -2.317 117 HD2 ARG 17 HD2 ARG 17 -15.796 -19.039 -0.614 118 HD3 ARG 17 HD3 ARG 17 -16.947 -17.706 -0.570 119 HE ARG 17 HE ARG 17 -17.900 -19.794 -2.272 120 HH11 ARG 17 HH11 ARG 17 -17.492 -19.028 1.133 121 HH12 ARG 17 HH12 ARG 17 -18.784 -20.060 1.647 122 HH21 ARG 17 HH21 ARG 17 -19.574 -21.136 -1.559 123 HH22 ARG 17 HH22 ARG 17 -19.954 -21.247 0.128 124 HA PRO 18 HA PRO 18 -18.694 -14.594 -7.537 125 HB2 PRO 18 HB2 PRO 18 -19.158 -16.215 -9.620 126 HB3 PRO 18 HB3 PRO 18 -17.595 -15.404 -9.391 127 HG2 PRO 18 HG2 PRO 18 -18.377 -18.207 -8.715 128 HG3 PRO 18 HG3 PRO 18 -16.914 -17.616 -9.533 129 HD2 PRO 18 HD2 PRO 18 -16.913 -18.254 -6.908 130 HD3 PRO 18 HD3 PRO 18 -15.918 -16.922 -7.551 131 H GLY 19 H GLY 19 -20.868 -14.755 -8.572 132 HA2 GLY 19 HA2 GLY 19 -22.827 -16.512 -8.599 133 HA3 GLY 19 HA3 GLY 19 -22.704 -16.280 -6.857 134 H GLY 20 H GLY 20 -21.995 -13.458 -8.737 135 HA2 GLY 20 HA2 GLY 20 -23.138 -11.525 -9.195 136 HA3 GLY 20 HA3 GLY 20 -24.631 -12.453 -9.098 137 H VAL 21 H VAL 21 -22.380 -12.400 -6.417 138 HA VAL 21 HA VAL 21 -24.293 -10.766 -4.857 139 HB VAL 21 HB VAL 21 -22.401 -12.929 -3.875 140 HG11 VAL 21 HG11 VAL 21 -24.570 -11.444 -2.357 141 HG12 VAL 21 HG12 VAL 21 -22.848 -11.081 -2.237 142 HG13 VAL 21 HG13 VAL 21 -23.457 -12.647 -1.703 143 HG21 VAL 21 HG21 VAL 21 -24.372 -14.297 -3.540 144 HG22 VAL 21 HG22 VAL 21 -24.420 -13.712 -5.203 145 HG23 VAL 21 HG23 VAL 21 -25.437 -12.959 -3.974 146 H VAL 22 H VAL 22 -23.608 -8.929 -4.031 147 HA VAL 22 HA VAL 22 -20.924 -8.004 -4.543 148 HB VAL 22 HB VAL 22 -23.198 -6.700 -2.993 149 HG11 VAL 22 HG11 VAL 22 -20.613 -5.541 -4.086 150 HG12 VAL 22 HG12 VAL 22 -21.033 -5.726 -2.383 151 HG13 VAL 22 HG13 VAL 22 -21.931 -4.594 -3.394 152 HG21 VAL 22 HG21 VAL 22 -23.663 -7.172 -5.421 153 HG22 VAL 22 HG22 VAL 22 -22.251 -6.201 -5.837 154 HG23 VAL 22 HG23 VAL 22 -23.633 -5.451 -5.039 155 H HIS 23 H HIS 23 -19.258 -8.413 -3.317 156 HA HIS 23 HA HIS 23 -19.663 -9.012 -0.445 157 HB2 HIS 23 HB2 HIS 23 -17.459 -9.958 -2.289 158 HB3 HIS 23 HB3 HIS 23 -17.570 -10.311 -0.567 159 HD2 HIS 23 HD2 HIS 23 -18.761 -11.810 -3.863 160 HE1 HIS 23 HE1 HIS 23 -21.247 -13.498 -0.905 161 HE2 HIS 23 HE2 HIS 23 -20.531 -13.649 -3.332 162 H SER 24 H SER 24 -18.538 -7.941 1.040 163 HA SER 24 HA SER 24 -16.583 -5.915 0.122 164 HB2 SER 24 HB2 SER 24 -18.599 -5.688 2.367 165 HB3 SER 24 HB3 SER 24 -17.333 -4.511 2.020 166 HG SER 24 HG SER 24 -19.684 -5.117 0.645 167 H PHE 25 H PHE 25 -14.650 -6.009 0.991 168 HA PHE 25 HA PHE 25 -14.250 -7.479 3.528 169 HB2 PHE 25 HB2 PHE 25 -12.509 -7.612 1.052 170 HB3 PHE 25 HB3 PHE 25 -12.076 -8.299 2.619 171 HD1 PHE 25 HD1 PHE 25 -14.201 -8.637 -0.350 172 HD2 PHE 25 HD2 PHE 25 -13.353 -10.196 3.562 173 HE1 PHE 25 HE1 PHE 25 -15.507 -10.678 -0.879 174 HE2 PHE 25 HE2 PHE 25 -14.658 -12.235 3.032 175 HZ PHE 25 HZ PHE 25 -15.736 -12.478 0.811 176 H SER 26 H SER 26 -12.679 -6.666 4.909 177 HA SER 26 HA SER 26 -11.164 -4.307 4.125 178 HB2 SER 26 HB2 SER 26 -12.100 -2.860 5.813 179 HB3 SER 26 HB3 SER 26 -13.397 -3.454 4.781 180 HG SER 26 HG SER 26 -14.068 -3.743 6.871 181 H HIS 27 H HIS 27 -9.759 -3.530 5.887 182 HA HIS 27 HA HIS 27 -9.208 -5.417 8.035 183 HB2 HIS 27 HB2 HIS 27 -7.947 -6.295 6.072 184 HB3 HIS 27 HB3 HIS 27 -7.081 -4.761 5.980 185 HD2 HIS 27 HD2 HIS 27 -7.338 -7.839 8.475 186 HE1 HIS 27 HE1 HIS 27 -3.874 -5.606 9.411 187 HE2 HIS 27 HE2 HIS 27 -5.187 -7.719 9.951 188 H ASN 28 H ASN 28 -8.029 -4.566 9.716 189 HA ASN 28 HA ASN 28 -7.010 -1.843 9.562 190 HB2 ASN 28 HB2 ASN 28 -8.379 -1.095 11.479 191 HB3 ASN 28 HB3 ASN 28 -9.360 -1.481 10.062 192 HD21 ASN 28 HD21 ASN 28 -11.287 -2.231 11.035 193 HD22 ASN 28 HD22 ASN 28 -11.349 -3.530 12.127 194 H VAL 29 H VAL 29 -6.030 -1.178 11.675 195 HA VAL 29 HA VAL 29 -4.929 -3.504 13.141 196 HB VAL 29 HB VAL 29 -2.797 -2.233 13.353 197 HG11 VAL 29 HG11 VAL 29 -3.797 -2.830 10.554 198 HG12 VAL 29 HG12 VAL 29 -2.959 -3.935 11.643 199 HG13 VAL 29 HG13 VAL 29 -2.101 -2.557 10.956 200 HG21 VAL 29 HG21 VAL 29 -3.694 -0.417 11.102 201 HG22 VAL 29 HG22 VAL 29 -2.419 -0.170 12.290 202 HG23 VAL 29 HG23 VAL 29 -4.105 0.020 12.756 203 H GLY 30 H GLY 30 -4.241 -3.070 15.352 204 HA2 GLY 30 HA2 GLY 30 -6.229 -1.793 16.836 205 HA3 GLY 30 HA3 GLY 30 -4.669 -2.294 17.482 206 HA PRO 31 HA PRO 31 -3.106 1.957 17.635 207 HB2 PRO 31 HB2 PRO 31 -1.436 1.705 15.172 208 HB3 PRO 31 HB3 PRO 31 -0.958 2.185 16.815 209 HG2 PRO 31 HG2 PRO 31 -0.285 -0.181 15.913 210 HG3 PRO 31 HG3 PRO 31 -0.893 -0.010 17.575 211 HD2 PRO 31 HD2 PRO 31 -2.369 -0.998 15.142 212 HD3 PRO 31 HD3 PRO 31 -2.362 -1.657 16.799 213 H GLY 32 H GLY 32 -3.522 1.002 14.265 214 HA2 GLY 32 HA2 GLY 32 -4.703 3.577 13.519 215 HA3 GLY 32 HA3 GLY 32 -4.213 2.295 12.410 216 H ASP 33 H ASP 33 -6.258 1.997 15.313 217 HA ASP 33 HA ASP 33 -8.133 0.298 14.103 218 HB2 ASP 33 HB2 ASP 33 -7.813 0.598 16.571 219 HB3 ASP 33 HB3 ASP 33 -8.654 2.143 16.447 220 H LYS 34 H LYS 34 -8.065 3.809 14.378 221 HA LYS 34 HA LYS 34 -10.694 4.268 13.333 222 HB2 LYS 34 HB2 LYS 34 -8.272 6.047 13.616 223 HB3 LYS 34 HB3 LYS 34 -9.830 6.612 13.002 224 HG2 LYS 34 HG2 LYS 34 -10.876 5.696 15.118 225 HG3 LYS 34 HG3 LYS 34 -9.239 5.462 15.739 226 HD2 LYS 34 HD2 LYS 34 -10.173 8.140 14.680 227 HD3 LYS 34 HD3 LYS 34 -10.403 7.675 16.367 228 HE2 LYS 34 HE2 LYS 34 -8.350 8.782 16.466 229 HE3 LYS 34 HE3 LYS 34 -7.817 7.116 16.269 230 HZ1 LYS 34 HZ1 LYS 34 -6.992 9.100 14.719 231 HZ2 LYS 34 HZ2 LYS 34 -8.344 8.606 13.819 232 HZ3 LYS 34 HZ3 LYS 34 -7.104 7.500 14.175 233 H TYR 35 H TYR 35 -7.596 3.603 11.909 234 HA TYR 35 HA TYR 35 -8.461 4.492 9.237 235 HB2 TYR 35 HB2 TYR 35 -5.774 3.526 10.252 236 HB3 TYR 35 HB3 TYR 35 -6.097 4.056 8.602 237 HD1 TYR 35 HD1 TYR 35 -5.633 5.108 12.081 238 HD2 TYR 35 HD2 TYR 35 -6.648 6.404 8.125 239 HE1 TYR 35 HE1 TYR 35 -5.281 7.463 12.769 240 HE2 TYR 35 HE2 TYR 35 -6.299 8.765 8.807 241 HH TYR 35 HH TYR 35 -5.997 9.709 12.062 242 H THR 36 H THR 36 -9.021 3.098 7.644 243 HA THR 36 HA THR 36 -8.177 0.319 7.718 244 HB THR 36 HB THR 36 -10.123 0.271 9.212 245 HG1 THR 36 HG1 THR 36 -11.264 -1.316 8.044 246 HG21 THR 36 HG21 THR 36 -12.335 0.882 8.465 247 HG22 THR 36 HG22 THR 36 -11.745 1.225 6.840 248 HG23 THR 36 HG23 THR 36 -11.272 2.262 8.186 249 H CYS 37 H CYS 37 -8.764 -0.905 5.815 250 HA CYS 37 HA CYS 37 -9.347 0.795 3.454 251 HB2 CYS 37 HB2 CYS 37 -7.708 -1.764 3.590 252 HB3 CYS 37 HB3 CYS 37 -8.097 -0.884 2.110 253 H MET 38 H MET 38 -10.900 0.108 2.020 254 HA MET 38 HA MET 38 -12.364 -2.378 2.677 255 HB2 MET 38 HB2 MET 38 -13.567 0.273 1.896 256 HB3 MET 38 HB3 MET 38 -14.458 -1.239 2.052 257 HG2 MET 38 HG2 MET 38 -13.780 -1.435 4.382 258 HG3 MET 38 HG3 MET 38 -12.875 0.072 4.268 259 HE1 MET 38 HE1 MET 38 -14.258 0.951 6.393 260 HE2 MET 38 HE2 MET 38 -15.037 -0.627 6.393 261 HE3 MET 38 HE3 MET 38 -16.020 0.829 6.504 262 H PHE 39 H PHE 39 -13.161 -3.558 1.041 263 HA PHE 39 HA PHE 39 -12.736 -2.600 -1.711 264 HB2 PHE 39 HB2 PHE 39 -11.798 -5.311 -0.727 265 HB3 PHE 39 HB3 PHE 39 -11.682 -4.706 -2.380 266 HD1 PHE 39 HD1 PHE 39 -9.996 -4.935 0.754 267 HD2 PHE 39 HD2 PHE 39 -10.449 -2.391 -2.678 268 HE1 PHE 39 HE1 PHE 39 -7.876 -3.784 1.326 269 HE2 PHE 39 HE2 PHE 39 -8.323 -1.247 -2.103 270 HZ PHE 39 HZ PHE 39 -7.042 -1.941 -0.104 271 H THR 40 H THR 40 -14.620 -2.653 -2.656 272 HA THR 40 HA THR 40 -16.489 -4.891 -2.083 273 HB THR 40 HB THR 40 -17.144 -2.089 -3.072 274 HG1 THR 40 HG1 THR 40 -17.294 -1.622 -1.041 275 HG21 THR 40 HG21 THR 40 -18.887 -4.453 -2.313 276 HG22 THR 40 HG22 THR 40 -18.784 -3.677 -3.893 277 HG23 THR 40 HG23 THR 40 -19.497 -2.811 -2.532 278 H TYR 41 H TYR 41 -16.970 -6.253 -3.710 279 HA TYR 41 HA TYR 41 -16.831 -5.408 -6.493 280 HB2 TYR 41 HB2 TYR 41 -15.237 -7.188 -7.151 281 HB3 TYR 41 HB3 TYR 41 -14.498 -5.998 -6.082 282 HD1 TYR 41 HD1 TYR 41 -15.851 -9.439 -6.300 283 HD2 TYR 41 HD2 TYR 41 -13.802 -6.580 -3.838 284 HE1 TYR 41 HE1 TYR 41 -15.266 -11.236 -4.696 285 HE2 TYR 41 HE2 TYR 41 -13.213 -8.379 -2.237 286 HH TYR 41 HH TYR 41 -13.685 -11.720 -2.973 287 H ALA 42 H ALA 42 -17.522 -7.097 -8.021 288 HA ALA 42 HA ALA 42 -19.088 -9.306 -6.880 289 HB1 ALA 42 HB1 ALA 42 -20.528 -7.187 -7.240 290 HB2 ALA 42 HB2 ALA 42 -21.113 -8.703 -7.923 291 HB3 ALA 42 HB3 ALA 42 -20.327 -7.514 -8.961 292 H SER 43 H SER 43 -19.355 -11.076 -8.301 293 HA SER 43 HA SER 43 -18.346 -10.896 -11.035 294 HB2 SER 43 HB2 SER 43 -16.326 -11.226 -9.637 295 HB3 SER 43 HB3 SER 43 -17.052 -12.718 -9.050 296 HG SER 43 HG SER 43 -16.183 -13.570 -10.757 297 H GLN 44 H GLN 44 -18.499 -12.902 -12.217 298 HA GLN 44 HA GLN 44 -20.551 -14.742 -11.173 299 HB2 GLN 44 HB2 GLN 44 -21.466 -13.111 -12.856 300 HB3 GLN 44 HB3 GLN 44 -20.357 -13.797 -14.037 301 HG2 GLN 44 HG2 GLN 44 -22.543 -14.873 -14.280 302 HG3 GLN 44 HG3 GLN 44 -21.368 -16.037 -13.661 303 HE21 GLN 44 HE21 GLN 44 -22.397 -17.338 -12.133 304 HE22 GLN 44 HE22 GLN 44 -23.477 -16.780 -10.948 305 H GLY 45 H GLY 45 -20.011 -16.814 -11.286 306 HA2 GLY 45 HA2 GLY 45 -18.731 -18.199 -13.315 307 HA3 GLY 45 HA3 GLY 45 -17.464 -17.693 -12.192 308 H GLY 46 H GLY 46 -17.598 -20.286 -12.320 309 HA2 GLY 46 HA2 GLY 46 -19.311 -21.196 -10.075 310 HA3 GLY 46 HA3 GLY 46 -18.789 -22.228 -11.401 311 H THR 47 H THR 47 -16.187 -20.272 -10.593 312 HA THR 47 HA THR 47 -15.134 -22.180 -8.590 313 HB THR 47 HB THR 47 -13.593 -21.063 -10.956 314 HG1 THR 47 HG1 THR 47 -14.685 -22.629 -11.872 315 HG21 THR 47 HG21 THR 47 -12.835 -23.179 -8.918 316 HG22 THR 47 HG22 THR 47 -12.244 -21.518 -8.901 317 HG23 THR 47 HG23 THR 47 -11.826 -22.588 -10.239 318 H ASN 48 H ASN 48 -14.102 -21.290 -6.875 319 HA ASN 48 HA ASN 48 -14.107 -18.419 -6.635 320 HB2 ASN 48 HB2 ASN 48 -13.466 -18.770 -4.327 321 HB3 ASN 48 HB3 ASN 48 -14.736 -19.923 -4.737 322 HD21 ASN 48 HD21 ASN 48 -12.948 -20.407 -2.556 323 HD22 ASN 48 HD22 ASN 48 -11.962 -21.733 -2.946 324 H GLU 49 H GLU 49 -12.012 -17.527 -5.397 325 HA GLU 49 HA GLU 49 -9.546 -18.516 -6.620 326 HB2 GLU 49 HB2 GLU 49 -10.512 -16.864 -8.220 327 HB3 GLU 49 HB3 GLU 49 -10.485 -15.656 -6.934 328 HG2 GLU 49 HG2 GLU 49 -8.519 -15.401 -8.371 329 HG3 GLU 49 HG3 GLU 49 -8.025 -15.901 -6.760 330 H GLN 50 H GLN 50 -7.674 -17.804 -5.592 331 HA GLN 50 HA GLN 50 -8.114 -16.803 -2.849 332 HB2 GLN 50 HB2 GLN 50 -5.838 -18.390 -4.053 333 HB3 GLN 50 HB3 GLN 50 -5.851 -17.769 -2.401 334 HG2 GLN 50 HG2 GLN 50 -7.842 -19.067 -1.874 335 HG3 GLN 50 HG3 GLN 50 -7.979 -19.596 -3.548 336 HE21 GLN 50 HE21 GLN 50 -7.450 -21.164 -0.943 337 HE22 GLN 50 HE22 GLN 50 -6.066 -22.079 -1.296 338 H TRP 51 H TRP 51 -7.546 -14.786 -2.406 339 HA TRP 51 HA TRP 51 -5.486 -13.472 -4.079 340 HB2 TRP 51 HB2 TRP 51 -8.011 -12.335 -2.896 341 HB3 TRP 51 HB3 TRP 51 -6.712 -11.328 -3.519 342 HD1 TRP 51 HD1 TRP 51 -8.923 -14.259 -4.769 343 HE1 TRP 51 HE1 TRP 51 -9.389 -13.886 -7.294 344 HE3 TRP 51 HE3 TRP 51 -6.199 -10.012 -5.553 345 HZ2 TRP 51 HZ2 TRP 51 -8.678 -11.994 -9.389 346 HZ3 TRP 51 HZ3 TRP 51 -6.118 -8.950 -7.792 347 HH2 TRP 51 HH2 TRP 51 -7.356 -9.940 -9.699 348 H GLN 52 H GLN 52 -3.902 -12.391 -3.110 349 HA GLN 52 HA GLN 52 -3.788 -12.470 -0.155 350 HB2 GLN 52 HB2 GLN 52 -1.522 -12.246 -2.160 351 HB3 GLN 52 HB3 GLN 52 -1.343 -12.254 -0.411 352 HG2 GLN 52 HG2 GLN 52 -2.386 -14.483 -0.288 353 HG3 GLN 52 HG3 GLN 52 -2.562 -14.499 -2.042 354 HE21 GLN 52 HE21 GLN 52 -1.068 -16.156 -2.579 355 HE22 GLN 52 HE22 GLN 52 0.586 -16.079 -2.203 356 H MET 53 H MET 53 -3.244 -10.664 1.016 357 HA MET 53 HA MET 53 -3.125 -8.095 -0.446 358 HB2 MET 53 HB2 MET 53 -4.700 -8.717 2.064 359 HB3 MET 53 HB3 MET 53 -4.445 -7.105 1.399 360 HG2 MET 53 HG2 MET 53 -5.576 -7.707 -0.649 361 HG3 MET 53 HG3 MET 53 -5.718 -9.381 -0.125 362 HE1 MET 53 HE1 MET 53 -6.846 -5.762 0.235 363 HE2 MET 53 HE2 MET 53 -6.150 -5.977 1.838 364 HE3 MET 53 HE3 MET 53 -7.885 -5.743 1.666 365 H SER 54 H SER 54 -1.740 -6.604 0.340 366 HA SER 54 HA SER 54 -0.400 -7.118 2.897 367 HB2 SER 54 HB2 SER 54 1.005 -6.570 0.280 368 HB3 SER 54 HB3 SER 54 1.772 -6.407 1.854 369 HG SER 54 HG SER 54 1.742 -8.535 2.091 370 H LEU 55 H LEU 55 -0.218 -5.370 4.104 371 HA LEU 55 HA LEU 55 -0.439 -2.716 2.853 372 HB2 LEU 55 HB2 LEU 55 -2.055 -1.998 4.582 373 HB3 LEU 55 HB3 LEU 55 -2.694 -3.256 3.526 374 HG LEU 55 HG LEU 55 -1.692 -4.870 5.465 375 HD11 LEU 55 HD11 LEU 55 -2.272 -3.729 7.694 376 HD12 LEU 55 HD12 LEU 55 -2.164 -2.208 6.809 377 HD13 LEU 55 HD13 LEU 55 -0.755 -3.261 6.929 378 HD21 LEU 55 HD21 LEU 55 -3.893 -5.202 6.186 379 HD22 LEU 55 HD22 LEU 55 -4.156 -4.438 4.624 380 HD23 LEU 55 HD23 LEU 55 -4.309 -3.489 6.102 381 H GLY 56 H GLY 56 0.376 -1.004 4.084 382 HA2 GLY 56 HA2 GLY 56 1.867 -1.653 6.516 383 HA3 GLY 56 HA3 GLY 56 2.782 -1.046 5.134 384 H THR 57 H THR 57 2.585 0.235 7.648 385 HA THR 57 HA THR 57 1.236 2.743 6.858 386 HB THR 57 HB THR 57 0.511 3.083 9.179 387 HG1 THR 57 HG1 THR 57 0.707 1.299 10.610 388 HG21 THR 57 HG21 THR 57 -1.325 1.560 9.159 389 HG22 THR 57 HG22 THR 57 -0.400 0.346 8.274 390 HG23 THR 57 HG23 THR 57 -0.907 1.830 7.467 391 H SER 58 H SER 58 2.070 4.649 7.875 392 HA SER 58 HA SER 58 4.910 4.762 7.978 393 HB2 SER 58 HB2 SER 58 3.615 6.698 7.262 394 HB3 SER 58 HB3 SER 58 2.807 6.766 8.825 395 HG SER 58 HG SER 58 4.507 7.730 9.620 396 H GLU 59 H GLU 59 6.249 5.303 9.798 397 HA GLU 59 HA GLU 59 5.793 3.772 12.109 398 HB2 GLU 59 HB2 GLU 59 7.737 4.956 13.077 399 HB3 GLU 59 HB3 GLU 59 8.051 4.470 11.412 400 HG2 GLU 59 HG2 GLU 59 7.497 6.744 10.632 401 HG3 GLU 59 HG3 GLU 59 7.155 7.224 12.297 402 H ASP 60 H ASP 60 4.884 7.070 11.360 403 HA ASP 60 HA ASP 60 3.880 7.525 14.092 404 HB2 ASP 60 HB2 ASP 60 3.990 9.420 11.730 405 HB3 ASP 60 HB3 ASP 60 3.453 9.835 13.358 406 H HIS 61 H HIS 61 2.765 5.990 11.411 407 HA HIS 61 HA HIS 61 0.729 5.372 10.611 408 HB2 HIS 61 HB2 HIS 61 -0.191 6.499 13.266 409 HB3 HIS 61 HB3 HIS 61 -1.228 5.593 12.156 410 HD2 HIS 61 HD2 HIS 61 2.207 4.885 14.067 411 HE1 HIS 61 HE1 HIS 61 0.189 1.231 13.427 412 HE2 HIS 61 HE2 HIS 61 2.229 2.309 14.489 413 H GLN 62 H GLN 62 1.848 8.006 10.018 414 HA GLN 62 HA GLN 62 -0.408 9.790 9.686 415 HB2 GLN 62 HB2 GLN 62 1.210 11.283 8.569 416 HB3 GLN 62 HB3 GLN 62 1.776 10.768 10.158 417 HG2 GLN 62 HG2 GLN 62 3.167 9.031 9.093 418 HG3 GLN 62 HG3 GLN 62 2.610 9.561 7.509 419 HE21 GLN 62 HE21 GLN 62 3.903 11.157 6.528 420 HE22 GLN 62 HE22 GLN 62 5.017 12.133 7.353 421 H HIS 63 H HIS 63 1.270 7.381 7.799 422 HA HIS 63 HA HIS 63 -0.533 7.940 5.519 423 HB2 HIS 63 HB2 HIS 63 2.343 7.015 5.466 424 HB3 HIS 63 HB3 HIS 63 1.259 6.834 4.086 425 HD2 HIS 63 HD2 HIS 63 3.524 9.510 5.626 426 HE1 HIS 63 HE1 HIS 63 1.055 11.487 2.839 427 HE2 HIS 63 HE2 HIS 63 3.117 11.719 4.297 428 H PHE 64 H PHE 64 -1.639 6.270 4.657 429 HA PHE 64 HA PHE 64 -1.138 3.554 5.723 430 HB2 PHE 64 HB2 PHE 64 -3.812 4.901 5.301 431 HB3 PHE 64 HB3 PHE 64 -3.609 3.180 5.639 432 HD1 PHE 64 HD1 PHE 64 -3.292 6.593 7.001 433 HD2 PHE 64 HD2 PHE 64 -2.900 2.400 7.823 434 HE1 PHE 64 HE1 PHE 64 -3.163 7.078 9.431 435 HE2 PHE 64 HE2 PHE 64 -2.770 2.886 10.250 436 HZ PHE 64 HZ PHE 64 -2.902 5.224 11.053 437 H THR 65 H THR 65 -1.103 1.926 4.246 438 HA THR 65 HA THR 65 -2.212 2.427 1.574 439 HB THR 65 HB THR 65 0.140 3.036 1.360 440 HG1 THR 65 HG1 THR 65 0.678 1.360 -0.207 441 HG21 THR 65 HG21 THR 65 1.884 1.256 1.680 442 HG22 THR 65 HG22 THR 65 0.655 0.261 2.459 443 HG23 THR 65 HG23 THR 65 1.136 1.796 3.181 444 H CYS 66 H CYS 66 -3.078 0.721 0.572 445 HA CYS 66 HA CYS 66 -2.694 -1.960 1.747 446 HB2 CYS 66 HB2 CYS 66 -5.347 -0.716 0.967 447 HB3 CYS 66 HB3 CYS 66 -5.117 -2.411 1.406 448 H THR 67 H THR 67 -2.443 -3.589 0.304 449 HA THR 67 HA THR 67 -2.894 -2.989 -2.559 450 HB THR 67 HB THR 67 -0.500 -4.451 -1.406 451 HG1 THR 67 HG1 THR 67 0.331 -2.541 -1.289 452 HG21 THR 67 HG21 THR 67 -0.779 -3.453 -4.236 453 HG22 THR 67 HG22 THR 67 -1.423 -5.032 -3.794 454 HG23 THR 67 HG23 THR 67 0.296 -4.698 -3.606 455 H ILE 68 H ILE 68 -3.831 -4.489 -3.756 456 HA ILE 68 HA ILE 68 -4.387 -7.146 -2.553 457 HB ILE 68 HB ILE 68 -6.400 -5.764 -4.320 458 HG12 ILE 68 HG12 ILE 68 -7.490 -5.176 -1.886 459 HG13 ILE 68 HG13 ILE 68 -5.780 -5.103 -1.437 460 HG21 ILE 68 HG21 ILE 68 -7.119 -7.540 -2.016 461 HG22 ILE 68 HG22 ILE 68 -6.405 -8.278 -3.448 462 HG23 ILE 68 HG23 ILE 68 -7.889 -7.346 -3.586 463 HD11 ILE 68 HD11 ILE 68 -6.083 -2.922 -2.105 464 HD12 ILE 68 HD12 ILE 68 -7.317 -3.336 -3.294 465 HD13 ILE 68 HD13 ILE 68 -5.619 -3.616 -3.657 466 H TRP 69 H TRP 69 -3.704 -8.784 -3.814 467 HA TRP 69 HA TRP 69 -4.152 -8.717 -6.675 468 HB2 TRP 69 HB2 TRP 69 -1.864 -9.058 -7.404 469 HB3 TRP 69 HB3 TRP 69 -1.894 -7.604 -6.418 470 HD1 TRP 69 HD1 TRP 69 -0.399 -11.036 -6.617 471 HE1 TRP 69 HE1 TRP 69 1.191 -11.406 -4.622 472 HE3 TRP 69 HE3 TRP 69 -1.583 -6.967 -3.821 473 HZ2 TRP 69 HZ2 TRP 69 1.861 -10.140 -2.159 474 HZ3 TRP 69 HZ3 TRP 69 -0.457 -6.564 -1.636 475 HH2 TRP 69 HH2 TRP 69 1.263 -8.161 -0.815 476 H ARG 70 H ARG 70 -3.610 -10.832 -7.709 477 HA ARG 70 HA ARG 70 -4.115 -13.011 -5.799 478 HB2 ARG 70 HB2 ARG 70 -4.874 -14.325 -7.706 479 HB3 ARG 70 HB3 ARG 70 -5.694 -12.767 -7.692 480 HG2 ARG 70 HG2 ARG 70 -3.873 -11.955 -9.296 481 HG3 ARG 70 HG3 ARG 70 -3.419 -13.667 -9.406 482 HD2 ARG 70 HD2 ARG 70 -5.522 -14.255 -10.326 483 HD3 ARG 70 HD3 ARG 70 -6.218 -12.689 -9.920 484 HE ARG 70 HE ARG 70 -4.653 -13.318 -12.248 485 HH11 ARG 70 HH11 ARG 70 -5.339 -10.725 -9.999 486 HH12 ARG 70 HH12 ARG 70 -5.071 -9.466 -11.156 487 HH21 ARG 70 HH21 ARG 70 -4.369 -11.643 -13.765 488 HH22 ARG 70 HH22 ARG 70 -4.521 -9.988 -13.276 489 HA PRO 71 HA PRO 71 0.006 -14.673 -6.219 490 HB2 PRO 71 HB2 PRO 71 -0.351 -17.273 -5.745 491 HB3 PRO 71 HB3 PRO 71 -0.684 -16.043 -4.503 492 HG2 PRO 71 HG2 PRO 71 -2.619 -17.364 -6.373 493 HG3 PRO 71 HG3 PRO 71 -2.723 -17.201 -4.590 494 HD2 PRO 71 HD2 PRO 71 -4.017 -15.577 -6.273 495 HD3 PRO 71 HD3 PRO 71 -3.341 -14.981 -4.736 496 H GLN 72 H GLN 72 -2.469 -16.430 -8.092 497 HA GLN 72 HA GLN 72 -0.710 -17.945 -9.705 498 HB2 GLN 72 HB2 GLN 72 -3.578 -17.106 -10.085 499 HB3 GLN 72 HB3 GLN 72 -2.735 -18.180 -11.210 500 HG2 GLN 72 HG2 GLN 72 -2.330 -19.797 -9.450 501 HG3 GLN 72 HG3 GLN 72 -2.973 -18.695 -8.231 502 HE21 GLN 72 HE21 GLN 72 -3.969 -21.434 -9.003 503 HE22 GLN 72 HE22 GLN 72 -5.589 -21.211 -9.455 504 H GLY 73 H GLY 73 -2.176 -14.826 -10.159 505 HA2 GLY 73 HA2 GLY 73 -1.148 -13.055 -11.423 506 HA3 GLY 73 HA3 GLY 73 -0.392 -14.278 -12.447 507 H LYS 74 H LYS 74 -2.920 -15.860 -12.607 508 HA LYS 74 HA LYS 74 -4.766 -14.072 -13.990 509 HB2 LYS 74 HB2 LYS 74 -4.910 -15.627 -15.937 510 HB3 LYS 74 HB3 LYS 74 -3.383 -14.756 -15.829 511 HG2 LYS 74 HG2 LYS 74 -2.414 -16.797 -14.666 512 HG3 LYS 74 HG3 LYS 74 -3.910 -17.648 -15.060 513 HD2 LYS 74 HD2 LYS 74 -2.234 -16.275 -17.172 514 HD3 LYS 74 HD3 LYS 74 -1.976 -17.957 -16.711 515 HE2 LYS 74 HE2 LYS 74 -4.349 -18.456 -17.268 516 HE3 LYS 74 HE3 LYS 74 -4.561 -16.780 -17.787 517 HZ1 LYS 74 HZ1 LYS 74 -2.593 -17.238 -19.310 518 HZ2 LYS 74 HZ2 LYS 74 -4.080 -17.944 -19.731 519 HZ3 LYS 74 HZ3 LYS 74 -2.867 -18.881 -18.997 520 H SER 75 H SER 75 -6.719 -14.465 -13.214 521 HA SER 75 HA SER 75 -7.427 -17.244 -12.449 522 HB2 SER 75 HB2 SER 75 -7.395 -15.852 -10.464 523 HB3 SER 75 HB3 SER 75 -8.379 -14.624 -11.258 524 HG SER 75 HG SER 75 -10.082 -16.086 -11.301 525 H TYR 76 H TYR 76 -8.806 -18.142 -13.891 526 HA TYR 76 HA TYR 76 -10.212 -16.525 -15.796 527 HB2 TYR 76 HB2 TYR 76 -9.278 -18.822 -16.256 528 HB3 TYR 76 HB3 TYR 76 -10.605 -19.483 -15.295 529 HD1 TYR 76 HD1 TYR 76 -9.761 -17.550 -18.350 530 HD2 TYR 76 HD2 TYR 76 -12.855 -19.557 -16.149 531 HE1 TYR 76 HE1 TYR 76 -11.263 -17.390 -20.316 532 HE2 TYR 76 HE2 TYR 76 -14.357 -19.398 -18.116 533 HH TYR 76 HH TYR 76 -13.795 -17.370 -20.693 534 H LEU 77 H LEU 77 -11.572 -15.205 -14.603 535 HA LEU 77 HA LEU 77 -14.134 -16.431 -13.924 536 HB2 LEU 77 HB2 LEU 77 -12.572 -14.612 -12.084 537 HB3 LEU 77 HB3 LEU 77 -14.305 -14.899 -11.898 538 HG LEU 77 HG LEU 77 -12.273 -17.149 -11.984 539 HD11 LEU 77 HD11 LEU 77 -13.462 -15.835 -9.520 540 HD12 LEU 77 HD12 LEU 77 -11.818 -15.559 -10.093 541 HD13 LEU 77 HD13 LEU 77 -12.303 -17.165 -9.552 542 HD21 LEU 77 HD21 LEU 77 -14.040 -18.531 -11.261 543 HD22 LEU 77 HD22 LEU 77 -14.886 -17.447 -12.351 544 HD23 LEU 77 HD23 LEU 77 -14.981 -17.190 -10.616 545 H TYR 78 H TYR 78 -15.951 -15.010 -14.211 546 HA TYR 78 HA TYR 78 -15.302 -12.693 -15.904 547 HB2 TYR 78 HB2 TYR 78 -16.918 -14.484 -16.677 548 HB3 TYR 78 HB3 TYR 78 -18.026 -13.918 -15.422 549 HD1 TYR 78 HD1 TYR 78 -16.335 -13.064 -18.588 550 HD2 TYR 78 HD2 TYR 78 -19.119 -11.745 -15.595 551 HE1 TYR 78 HE1 TYR 78 -17.092 -11.248 -20.095 552 HE2 TYR 78 HE2 TYR 78 -19.878 -9.926 -17.102 553 HH TYR 78 HH TYR 78 -19.031 -9.821 -20.422 554 H PHE 79 H PHE 79 -14.734 -11.175 -14.380 555 HA PHE 79 HA PHE 79 -16.327 -10.643 -12.038 556 HB2 PHE 79 HB2 PHE 79 -14.008 -9.195 -13.321 557 HB3 PHE 79 HB3 PHE 79 -14.812 -8.616 -11.860 558 HD1 PHE 79 HD1 PHE 79 -12.675 -11.250 -13.301 559 HD2 PHE 79 HD2 PHE 79 -14.631 -9.836 -9.750 560 HE1 PHE 79 HE1 PHE 79 -11.307 -12.797 -11.927 561 HE2 PHE 79 HE2 PHE 79 -13.267 -11.386 -8.380 562 HZ PHE 79 HZ PHE 79 -11.603 -12.865 -9.467 563 H THR 80 H THR 80 -17.940 -9.224 -11.769 564 HA THR 80 HA THR 80 -19.065 -7.881 -14.066 565 HB THR 80 HB THR 80 -19.809 -7.646 -11.131 566 HG1 THR 80 HG1 THR 80 -20.831 -9.242 -13.241 567 HG21 THR 80 HG21 THR 80 -20.619 -5.776 -12.584 568 HG22 THR 80 HG22 THR 80 -21.935 -6.762 -11.946 569 HG23 THR 80 HG23 THR 80 -21.411 -6.966 -13.618 570 H GLN 81 H GLN 81 -17.337 -6.937 -11.124 571 HA GLN 81 HA GLN 81 -15.911 -4.846 -12.271 572 HB2 GLN 81 HB2 GLN 81 -17.000 -2.851 -11.267 573 HB3 GLN 81 HB3 GLN 81 -17.996 -3.601 -12.513 574 HG2 GLN 81 HG2 GLN 81 -19.241 -4.815 -10.689 575 HG3 GLN 81 HG3 GLN 81 -18.301 -3.903 -9.504 576 HE21 GLN 81 HE21 GLN 81 -21.289 -3.894 -10.813 577 HE22 GLN 81 HE22 GLN 81 -21.606 -2.227 -10.849 578 H PHE 82 H PHE 82 -14.973 -3.357 -10.535 579 HA PHE 82 HA PHE 82 -14.892 -4.603 -7.895 580 HB2 PHE 82 HB2 PHE 82 -12.402 -4.584 -7.891 581 HB3 PHE 82 HB3 PHE 82 -13.132 -5.741 -9.001 582 HD1 PHE 82 HD1 PHE 82 -11.406 -2.465 -8.778 583 HD2 PHE 82 HD2 PHE 82 -12.860 -5.550 -11.384 584 HE1 PHE 82 HE1 PHE 82 -10.184 -1.440 -10.679 585 HE2 PHE 82 HE2 PHE 82 -11.645 -4.528 -13.280 586 HZ PHE 82 HZ PHE 82 -10.313 -2.475 -12.931 587 H LYS 83 H LYS 83 -14.171 -3.258 -6.240 588 HA LYS 83 HA LYS 83 -13.536 -0.484 -6.939 589 HB2 LYS 83 HB2 LYS 83 -15.852 -1.179 -5.108 590 HB3 LYS 83 HB3 LYS 83 -15.336 0.437 -5.607 591 HG2 LYS 83 HG2 LYS 83 -15.747 -0.362 -8.032 592 HG3 LYS 83 HG3 LYS 83 -16.545 -1.742 -7.311 593 HD2 LYS 83 HD2 LYS 83 -18.129 -0.316 -6.124 594 HD3 LYS 83 HD3 LYS 83 -17.360 1.126 -6.796 595 HE2 LYS 83 HE2 LYS 83 -17.876 0.333 -9.074 596 HE3 LYS 83 HE3 LYS 83 -18.686 -1.081 -8.399 597 HZ1 LYS 83 HZ1 LYS 83 -19.459 1.765 -8.042 598 HZ2 LYS 83 HZ2 LYS 83 -20.160 0.479 -7.181 599 HZ3 LYS 83 HZ3 LYS 83 -20.326 0.567 -8.869 600 H ALA 84 H ALA 84 -12.588 0.723 -5.270 601 HA ALA 84 HA ALA 84 -11.986 -0.658 -2.753 602 HB1 ALA 84 HB1 ALA 84 -9.588 -0.061 -2.956 603 HB2 ALA 84 HB2 ALA 84 -9.884 0.487 -4.605 604 HB3 ALA 84 HB3 ALA 84 -10.098 -1.213 -4.190 605 H GLU 85 H GLU 85 -11.826 0.694 -1.017 606 HA GLU 85 HA GLU 85 -11.437 3.547 -1.400 607 HB2 GLU 85 HB2 GLU 85 -13.546 4.193 -0.294 608 HB3 GLU 85 HB3 GLU 85 -13.849 3.315 -1.793 609 HG2 GLU 85 HG2 GLU 85 -14.231 1.229 -0.517 610 HG3 GLU 85 HG3 GLU 85 -13.915 2.102 0.988 611 H VAL 86 H VAL 86 -11.415 4.699 0.756 612 HA VAL 86 HA VAL 86 -10.543 2.883 2.926 613 HB VAL 86 HB VAL 86 -8.777 4.509 3.518 614 HG11 VAL 86 HG11 VAL 86 -7.278 3.979 1.589 615 HG12 VAL 86 HG12 VAL 86 -8.686 3.434 0.680 616 HG13 VAL 86 HG13 VAL 86 -8.194 2.579 2.142 617 HG21 VAL 86 HG21 VAL 86 -9.685 6.553 2.544 618 HG22 VAL 86 HG22 VAL 86 -9.659 5.842 0.932 619 HG23 VAL 86 HG23 VAL 86 -8.143 6.212 1.755 620 H ARG 87 H ARG 87 -10.667 3.742 5.069 621 HA ARG 87 HA ARG 87 -12.551 6.002 5.359 622 HB2 ARG 87 HB2 ARG 87 -12.630 3.408 6.921 623 HB3 ARG 87 HB3 ARG 87 -13.664 4.809 7.208 624 HG2 ARG 87 HG2 ARG 87 -13.556 3.346 4.549 625 HG3 ARG 87 HG3 ARG 87 -14.724 2.966 5.810 626 HD2 ARG 87 HD2 ARG 87 -14.409 5.681 4.481 627 HD3 ARG 87 HD3 ARG 87 -15.680 4.511 4.133 628 HE ARG 87 HE ARG 87 -15.495 6.233 6.472 629 HH11 ARG 87 HH11 ARG 87 -16.964 3.347 5.104 630 HH12 ARG 87 HH12 ARG 87 -18.299 3.357 6.206 631 HH21 ARG 87 HH21 ARG 87 -17.248 6.202 7.895 632 HH22 ARG 87 HH22 ARG 87 -18.455 4.966 7.778 633 H GLY 88 H GLY 88 -12.306 7.317 7.117 634 HA2 GLY 88 HA2 GLY 88 -11.321 8.223 9.021 635 HA3 GLY 88 HA3 GLY 88 -10.311 6.785 9.148 636 H ALA 89 H ALA 89 -10.063 7.874 5.991 637 HA ALA 89 HA ALA 89 -8.004 9.888 6.426 638 HB1 ALA 89 HB1 ALA 89 -7.066 7.589 4.798 639 HB2 ALA 89 HB2 ALA 89 -7.143 7.339 6.536 640 HB3 ALA 89 HB3 ALA 89 -6.171 8.652 5.883 641 H GLU 90 H GLU 90 -7.021 10.550 4.303 642 HA GLU 90 HA GLU 90 -9.091 10.543 2.199 643 HB2 GLU 90 HB2 GLU 90 -7.976 12.598 1.354 644 HB3 GLU 90 HB3 GLU 90 -8.535 12.792 3.013 645 HG2 GLU 90 HG2 GLU 90 -6.243 12.298 3.838 646 HG3 GLU 90 HG3 GLU 90 -5.687 12.132 2.173 647 H ILE 91 H ILE 91 -8.476 10.168 0.031 648 HA ILE 91 HA ILE 91 -6.234 8.321 -0.195 649 HB ILE 91 HB ILE 91 -8.350 9.089 -2.253 650 HG12 ILE 91 HG12 ILE 91 -8.145 6.549 -0.590 651 HG13 ILE 91 HG13 ILE 91 -9.125 7.931 -0.095 652 HG21 ILE 91 HG21 ILE 91 -6.322 8.183 -3.321 653 HG22 ILE 91 HG22 ILE 91 -7.608 6.977 -3.384 654 HG23 ILE 91 HG23 ILE 91 -6.312 6.824 -2.198 655 HD11 ILE 91 HD11 ILE 91 -9.449 6.310 -2.644 656 HD12 ILE 91 HD12 ILE 91 -10.364 7.772 -2.270 657 HD13 ILE 91 HD13 ILE 91 -10.550 6.334 -1.265 658 H GLU 92 H GLU 92 -4.309 8.801 -0.943 659 HA GLU 92 HA GLU 92 -3.742 11.426 -2.059 660 HB2 GLU 92 HB2 GLU 92 -1.941 9.052 -1.513 661 HB3 GLU 92 HB3 GLU 92 -1.393 10.643 -2.048 662 HG2 GLU 92 HG2 GLU 92 -2.373 11.658 -0.020 663 HG3 GLU 92 HG3 GLU 92 -2.889 10.059 0.522 664 H TYR 93 H TYR 93 -3.716 8.034 -3.069 665 HA TYR 93 HA TYR 93 -4.330 8.673 -5.763 666 HB2 TYR 93 HB2 TYR 93 -1.809 9.181 -5.543 667 HB3 TYR 93 HB3 TYR 93 -1.601 7.434 -5.443 668 HD1 TYR 93 HD1 TYR 93 -2.605 10.244 -7.602 669 HD2 TYR 93 HD2 TYR 93 -2.109 5.984 -7.359 670 HE1 TYR 93 HE1 TYR 93 -2.793 10.083 -10.068 671 HE2 TYR 93 HE2 TYR 93 -2.299 5.828 -9.830 672 HH TYR 93 HH TYR 93 -1.794 7.640 -11.830 673 H ALA 94 H ALA 94 -5.400 7.005 -6.579 674 HA ALA 94 HA ALA 94 -4.898 4.289 -5.517 675 HB1 ALA 94 HB1 ALA 94 -7.357 3.878 -5.813 676 HB2 ALA 94 HB2 ALA 94 -7.560 5.607 -6.098 677 HB3 ALA 94 HB3 ALA 94 -6.969 5.031 -4.539 678 H MET 95 H MET 95 -4.534 2.790 -7.016 679 HA MET 95 HA MET 95 -5.639 2.966 -9.682 680 HB2 MET 95 HB2 MET 95 -3.478 2.975 -10.856 681 HB3 MET 95 HB3 MET 95 -3.691 4.449 -9.907 682 HG2 MET 95 HG2 MET 95 -2.287 3.514 -8.109 683 HG3 MET 95 HG3 MET 95 -2.104 2.013 -9.022 684 HE1 MET 95 HE1 MET 95 -1.562 2.974 -12.128 685 HE2 MET 95 HE2 MET 95 -1.118 1.660 -11.042 686 HE3 MET 95 HE3 MET 95 0.143 2.603 -11.826 687 H ALA 96 H ALA 96 -4.934 1.096 -11.055 688 HA ALA 96 HA ALA 96 -4.113 -1.239 -9.463 689 HB1 ALA 96 HB1 ALA 96 -6.541 -1.314 -9.570 690 HB2 ALA 96 HB2 ALA 96 -5.890 -2.553 -10.640 691 HB3 ALA 96 HB3 ALA 96 -6.501 -1.044 -11.308 692 H TYR 97 H TYR 97 -3.160 -2.942 -10.769 693 HA TYR 97 HA TYR 97 -2.123 -1.928 -13.363 694 HB2 TYR 97 HB2 TYR 97 -0.910 -3.909 -11.445 695 HB3 TYR 97 HB3 TYR 97 -0.216 -3.471 -13.006 696 HD1 TYR 97 HD1 TYR 97 -0.696 -2.479 -9.537 697 HD2 TYR 97 HD2 TYR 97 0.503 -1.101 -13.423 698 HE1 TYR 97 HE1 TYR 97 0.374 -0.499 -8.505 699 HE2 TYR 97 HE2 TYR 97 1.573 0.883 -12.389 700 HH TYR 97 HH TYR 97 0.940 1.984 -9.449 701 H SER 98 H SER 98 -3.092 -2.798 -15.062 702 HA SER 98 HA SER 98 -4.584 -5.226 -15.053 703 HB2 SER 98 HB2 SER 98 -3.471 -3.600 -17.354 704 HB3 SER 98 HB3 SER 98 -4.571 -4.964 -17.533 705 HG SER 98 HG SER 98 -5.541 -2.804 -17.435 706 H LYS 99 H LYS 99 -1.335 -4.363 -16.095 707 HA LYS 99 HA LYS 99 -0.521 -7.164 -15.981 708 HB2 LYS 99 HB2 LYS 99 -1.256 -6.816 -18.331 709 HB3 LYS 99 HB3 LYS 99 -0.112 -5.487 -18.477 710 HG2 LYS 99 HG2 LYS 99 0.945 -7.446 -19.434 711 HG3 LYS 99 HG3 LYS 99 1.738 -7.127 -17.889 712 HD2 LYS 99 HD2 LYS 99 0.387 -8.861 -16.802 713 HD3 LYS 99 HD3 LYS 99 -0.503 -9.141 -18.300 714 HE2 LYS 99 HE2 LYS 99 1.596 -9.821 -19.414 715 HE3 LYS 99 HE3 LYS 99 2.475 -9.555 -17.908 716 HZ1 LYS 99 HZ1 LYS 99 0.508 -11.641 -18.565 717 HZ2 LYS 99 HZ2 LYS 99 0.710 -11.156 -16.947 718 HZ3 LYS 99 HZ3 LYS 99 2.023 -11.792 -17.820 719 H ALA 100 H ALA 100 1.614 -7.449 -15.547 720 HA ALA 100 HA ALA 100 3.055 -5.166 -14.494 721 HB1 ALA 100 HB1 ALA 100 4.179 -7.943 -14.695 722 HB2 ALA 100 HB2 ALA 100 2.932 -7.569 -13.505 723 HB3 ALA 100 HB3 ALA 100 4.472 -6.711 -13.466 724 H ALA 101 H ALA 101 5.126 -4.509 -15.163 725 HA ALA 101 HA ALA 101 5.510 -4.163 -17.890 726 HB1 ALA 101 HB1 ALA 101 6.781 -2.645 -16.775 727 HB2 ALA 101 HB2 ALA 101 8.044 -3.857 -16.975 728 HB3 ALA 101 HB3 ALA 101 7.147 -3.758 -15.460 729 H PHE 102 H PHE 102 6.445 -5.252 -19.493 730 HA PHE 102 HA PHE 102 7.060 -8.025 -19.205 731 HB2 PHE 102 HB2 PHE 102 6.133 -7.024 -21.295 732 HB3 PHE 102 HB3 PHE 102 7.649 -6.152 -21.526 733 HD1 PHE 102 HD1 PHE 102 6.130 -9.544 -21.317 734 HD2 PHE 102 HD2 PHE 102 9.580 -7.245 -22.444 735 HE1 PHE 102 HE1 PHE 102 7.091 -11.535 -22.437 736 HE2 PHE 102 HE2 PHE 102 10.541 -9.239 -23.566 737 HZ PHE 102 HZ PHE 102 9.295 -11.383 -23.563 738 H GLU 103 H GLU 103 8.921 -8.929 -18.621 739 HA GLU 103 HA GLU 103 11.102 -9.229 -18.046 740 HB2 GLU 103 HB2 GLU 103 11.431 -8.580 -20.497 741 HB3 GLU 103 HB3 GLU 103 11.825 -6.959 -19.927 742 HG2 GLU 103 HG2 GLU 103 13.638 -7.907 -18.519 743 HG3 GLU 103 HG3 GLU 103 13.246 -9.518 -19.123 744 H ARG 104 H ARG 104 11.315 -5.697 -18.589 745 HA ARG 104 HA ARG 104 11.477 -5.260 -15.677 746 HB2 ARG 104 HB2 ARG 104 13.430 -4.183 -17.724 747 HB3 ARG 104 HB3 ARG 104 13.397 -3.746 -16.014 748 HG2 ARG 104 HG2 ARG 104 13.655 -6.617 -16.920 749 HG3 ARG 104 HG3 ARG 104 15.059 -5.580 -16.731 750 HD2 ARG 104 HD2 ARG 104 14.360 -5.145 -14.368 751 HD3 ARG 104 HD3 ARG 104 13.025 -6.273 -14.588 752 HE ARG 104 HE ARG 104 15.427 -7.582 -15.295 753 HH11 ARG 104 HH11 ARG 104 13.840 -6.325 -12.420 754 HH12 ARG 104 HH12 ARG 104 14.619 -7.447 -11.355 755 HH21 ARG 104 HH21 ARG 104 16.426 -9.019 -13.866 756 HH22 ARG 104 HH22 ARG 104 16.074 -8.961 -12.171 757 H GLU 105 H GLU 105 10.349 -4.260 -18.769 758 HA GLU 105 HA GLU 105 9.202 -1.790 -17.640 759 HB2 GLU 105 HB2 GLU 105 10.653 -1.901 -20.293 760 HB3 GLU 105 HB3 GLU 105 9.831 -0.496 -19.613 761 HG2 GLU 105 HG2 GLU 105 11.382 -0.666 -17.620 762 HG3 GLU 105 HG3 GLU 105 12.272 -1.902 -18.502 763 H SER 106 H SER 106 7.582 -0.787 -19.077 764 HA SER 106 HA SER 106 5.844 -0.783 -20.576 765 HB2 SER 106 HB2 SER 106 5.609 -2.334 -22.260 766 HB3 SER 106 HB3 SER 106 7.237 -2.753 -21.715 767 HG SER 106 HG SER 106 6.420 -4.648 -21.314 768 H ASP 107 H ASP 107 5.628 -1.025 -17.834 769 HA ASP 107 HA ASP 107 3.560 -2.901 -17.119 770 HB2 ASP 107 HB2 ASP 107 5.145 -1.990 -15.463 771 HB3 ASP 107 HB3 ASP 107 4.486 -0.375 -15.729 772 H VAL 108 H VAL 108 1.450 -2.718 -17.644 773 HA VAL 108 HA VAL 108 0.479 -0.128 -18.636 774 HB VAL 108 HB VAL 108 -0.751 -2.899 -18.861 775 HG11 VAL 108 HG11 VAL 108 -1.529 -0.236 -20.110 776 HG12 VAL 108 HG12 VAL 108 -2.483 -1.173 -18.962 777 HG13 VAL 108 HG13 VAL 108 -2.205 -1.792 -20.590 778 HG21 VAL 108 HG21 VAL 108 -0.057 -2.724 -21.239 779 HG22 VAL 108 HG22 VAL 108 1.338 -2.654 -20.162 780 HG23 VAL 108 HG23 VAL 108 0.716 -1.176 -20.897 781 HA PRO 109 HA PRO 109 -1.821 -0.064 -14.617 782 HB2 PRO 109 HB2 PRO 109 -2.163 2.561 -14.367 783 HB3 PRO 109 HB3 PRO 109 -0.553 1.836 -14.145 784 HG2 PRO 109 HG2 PRO 109 -1.666 3.252 -16.526 785 HG3 PRO 109 HG3 PRO 109 -0.074 3.420 -15.758 786 HD2 PRO 109 HD2 PRO 109 -0.519 1.873 -17.997 787 HD3 PRO 109 HD3 PRO 109 0.797 1.574 -16.837 788 H LEU 110 H LEU 110 -4.011 0.357 -14.066 789 HA LEU 110 HA LEU 110 -5.918 0.263 -16.216 790 HB2 LEU 110 HB2 LEU 110 -6.099 0.268 -13.213 791 HB3 LEU 110 HB3 LEU 110 -7.547 0.681 -14.145 792 HG LEU 110 HG LEU 110 -7.024 -1.479 -15.494 793 HD11 LEU 110 HD11 LEU 110 -4.744 -1.739 -14.465 794 HD12 LEU 110 HD12 LEU 110 -5.761 -3.182 -14.387 795 HD13 LEU 110 HD13 LEU 110 -5.559 -2.179 -12.964 796 HD21 LEU 110 HD21 LEU 110 -7.812 -1.996 -12.620 797 HD22 LEU 110 HD22 LEU 110 -8.444 -2.741 -14.084 798 HD23 LEU 110 HD23 LEU 110 -8.857 -1.073 -13.699 799 H LYS 111 H LYS 111 -7.592 1.743 -16.636 800 HA LYS 111 HA LYS 111 -6.787 4.527 -16.426 801 HB2 LYS 111 HB2 LYS 111 -7.740 3.560 -18.529 802 HB3 LYS 111 HB3 LYS 111 -9.267 3.310 -17.679 803 HG2 LYS 111 HG2 LYS 111 -9.571 5.666 -17.356 804 HG3 LYS 111 HG3 LYS 111 -7.926 6.021 -17.889 805 HD2 LYS 111 HD2 LYS 111 -9.376 6.547 -19.742 806 HD3 LYS 111 HD3 LYS 111 -8.564 5.039 -20.152 807 HE2 LYS 111 HE2 LYS 111 -10.540 3.755 -19.451 808 HE3 LYS 111 HE3 LYS 111 -11.354 5.239 -18.964 809 HZ1 LYS 111 HZ1 LYS 111 -11.810 4.247 -21.285 810 HZ2 LYS 111 HZ2 LYS 111 -10.326 4.960 -21.708 811 HZ3 LYS 111 HZ3 LYS 111 -11.603 5.922 -21.132 812 H THR 112 H THR 112 -7.461 5.855 -14.865 813 HA THR 112 HA THR 112 -9.055 4.944 -12.703 814 HB THR 112 HB THR 112 -7.273 6.598 -12.397 815 HG1 THR 112 HG1 THR 112 -8.427 7.149 -10.761 816 HG21 THR 112 HG21 THR 112 -9.096 8.548 -13.830 817 HG22 THR 112 HG22 THR 112 -7.669 7.811 -14.560 818 HG23 THR 112 HG23 THR 112 -7.495 8.883 -13.171 819 H GLU 113 H GLU 113 -9.897 6.527 -15.644 820 HA GLU 113 HA GLU 113 -12.268 7.838 -14.874 821 HB2 GLU 113 HB2 GLU 113 -11.349 6.752 -17.530 822 HB3 GLU 113 HB3 GLU 113 -12.834 7.681 -17.326 823 HG2 GLU 113 HG2 GLU 113 -11.612 9.576 -16.474 824 HG3 GLU 113 HG3 GLU 113 -10.112 8.658 -16.431 825 H GLU 114 H GLU 114 -11.637 4.449 -15.430 826 HA GLU 114 HA GLU 114 -14.273 3.678 -16.133 827 HB2 GLU 114 HB2 GLU 114 -12.033 2.066 -14.910 828 HB3 GLU 114 HB3 GLU 114 -13.556 1.370 -15.466 829 HG2 GLU 114 HG2 GLU 114 -11.606 2.945 -17.183 830 HG3 GLU 114 HG3 GLU 114 -11.817 1.201 -17.223 831 H PHE 115 H PHE 115 -12.989 4.591 -13.074 832 HA PHE 115 HA PHE 115 -15.578 4.169 -11.854 833 HB2 PHE 115 HB2 PHE 115 -14.786 2.848 -9.947 834 HB3 PHE 115 HB3 PHE 115 -14.575 1.978 -11.468 835 HD1 PHE 115 HD1 PHE 115 -12.843 3.709 -8.714 836 HD2 PHE 115 HD2 PHE 115 -12.347 1.619 -12.434 837 HE1 PHE 115 HE1 PHE 115 -10.416 3.479 -8.262 838 HE2 PHE 115 HE2 PHE 115 -9.920 1.389 -11.981 839 HZ PHE 115 HZ PHE 115 -8.954 2.318 -9.896 840 H GLU 116 H GLU 116 -15.731 5.038 -9.648 841 HA GLU 116 HA GLU 116 -13.855 7.289 -9.204 842 HB2 GLU 116 HB2 GLU 116 -16.025 8.054 -10.101 843 HB3 GLU 116 HB3 GLU 116 -16.858 7.231 -8.781 844 HG2 GLU 116 HG2 GLU 116 -16.667 9.573 -8.202 845 HG3 GLU 116 HG3 GLU 116 -15.590 8.659 -7.157 846 H VAL 117 H VAL 117 -12.991 7.438 -7.195 847 HA VAL 117 HA VAL 117 -14.296 6.000 -4.961 848 HB VAL 117 HB VAL 117 -12.068 5.364 -4.088 849 HG11 VAL 117 HG11 VAL 117 -13.302 3.730 -5.388 850 HG12 VAL 117 HG12 VAL 117 -11.591 3.612 -5.807 851 HG13 VAL 117 HG13 VAL 117 -12.712 4.431 -6.896 852 HG21 VAL 117 HG21 VAL 117 -10.719 7.119 -5.189 853 HG22 VAL 117 HG22 VAL 117 -11.077 6.418 -6.767 854 HG23 VAL 117 HG23 VAL 117 -10.099 5.520 -5.605 855 H THR 118 H THR 118 -14.169 6.951 -2.946 856 HA THR 118 HA THR 118 -12.728 9.490 -2.660 857 HB THR 118 HB THR 118 -14.647 10.616 -1.651 858 HG1 THR 118 HG1 THR 118 -16.261 8.503 -2.574 859 HG21 THR 118 HG21 THR 118 -15.905 11.041 -3.671 860 HG22 THR 118 HG22 THR 118 -15.371 9.513 -4.373 861 HG23 THR 118 HG23 THR 118 -14.209 10.812 -4.097 862 H LYS 119 H LYS 119 -12.720 10.252 -0.405 863 HA LYS 119 HA LYS 119 -11.645 8.303 1.281 864 HB2 LYS 119 HB2 LYS 119 -11.650 10.034 3.007 865 HB3 LYS 119 HB3 LYS 119 -11.140 10.712 1.460 866 HG2 LYS 119 HG2 LYS 119 -13.331 11.693 1.085 867 HG3 LYS 119 HG3 LYS 119 -14.000 10.865 2.487 868 HD2 LYS 119 HD2 LYS 119 -13.579 13.089 3.228 869 HD3 LYS 119 HD3 LYS 119 -12.255 12.126 3.882 870 HE2 LYS 119 HE2 LYS 119 -10.803 12.818 2.042 871 HE3 LYS 119 HE3 LYS 119 -12.130 13.722 1.314 872 HZ1 LYS 119 HZ1 LYS 119 -11.424 14.305 4.095 873 HZ2 LYS 119 HZ2 LYS 119 -12.028 15.340 2.891 874 HZ3 LYS 119 HZ3 LYS 119 -10.390 14.886 2.882 875 H THR 120 H THR 120 -14.968 9.219 0.788 876 HA THR 120 HA THR 120 -15.780 7.368 2.927 877 HB THR 120 HB THR 120 -15.721 9.609 3.914 878 HG1 THR 120 HG1 THR 120 -17.286 8.343 4.762 879 HG21 THR 120 HG21 THR 120 -16.151 10.878 1.816 880 HG22 THR 120 HG22 THR 120 -17.208 11.375 3.136 881 HG23 THR 120 HG23 THR 120 -17.827 10.332 1.855 882 H ALA 121 H ALA 121 -15.982 7.638 -0.204 883 HA ALA 121 HA ALA 121 -18.586 6.388 -0.382 884 HB1 ALA 121 HB1 ALA 121 -19.752 7.964 -1.623 885 HB2 ALA 121 HB2 ALA 121 -18.289 8.827 -2.097 886 HB3 ALA 121 HB3 ALA 121 -18.905 8.974 -0.450 887 H VAL 122 H VAL 122 -19.087 5.607 -2.564 888 HA VAL 122 HA VAL 122 -16.784 5.519 -4.391 889 HB VAL 122 HB VAL 122 -17.114 3.092 -4.768 890 HG11 VAL 122 HG11 VAL 122 -16.118 2.389 -2.578 891 HG12 VAL 122 HG12 VAL 122 -16.453 4.015 -1.976 892 HG13 VAL 122 HG13 VAL 122 -15.341 3.784 -3.328 893 HG21 VAL 122 HG21 VAL 122 -18.867 3.246 -2.283 894 HG22 VAL 122 HG22 VAL 122 -18.426 1.779 -3.158 895 HG23 VAL 122 HG23 VAL 122 -19.472 2.978 -3.920 896 H ALA 123 H ALA 123 -17.257 5.045 -6.548 897 HA ALA 123 HA ALA 123 -19.993 4.701 -7.355 898 HB1 ALA 123 HB1 ALA 123 -19.063 7.324 -7.127 899 HB2 ALA 123 HB2 ALA 123 -20.480 6.793 -8.023 900 HB3 ALA 123 HB3 ALA 123 -18.938 6.977 -8.851 901 H HIS 124 H HIS 124 -20.164 4.443 -9.746 902 HA HIS 124 HA HIS 124 -17.642 3.444 -10.919 903 HB2 HIS 124 HB2 HIS 124 -18.951 1.675 -12.043 904 HB3 HIS 124 HB3 HIS 124 -19.068 1.552 -10.288 905 HD2 HIS 124 HD2 HIS 124 -21.401 2.069 -13.351 906 HE1 HIS 124 HE1 HIS 124 -23.778 2.573 -9.898 907 HE2 HIS 124 HE2 HIS 124 -23.828 2.330 -12.425 908 H ARG 125 H ARG 125 -17.432 3.571 -13.180 909 HA ARG 125 HA ARG 125 -19.084 5.686 -14.418 910 HB2 ARG 125 HB2 ARG 125 -16.184 4.955 -14.863 911 HB3 ARG 125 HB3 ARG 125 -17.046 6.167 -15.800 912 HG2 ARG 125 HG2 ARG 125 -16.955 6.335 -12.776 913 HG3 ARG 125 HG3 ARG 125 -15.645 6.987 -13.756 914 HD2 ARG 125 HD2 ARG 125 -17.017 8.853 -13.544 915 HD3 ARG 125 HD3 ARG 125 -17.598 8.192 -15.069 916 HE ARG 125 HE ARG 125 -19.078 7.093 -12.893 917 HH11 ARG 125 HH11 ARG 125 -18.726 10.081 -14.710 918 HH12 ARG 125 HH12 ARG 125 -20.344 10.609 -14.393 919 HH21 ARG 125 HH21 ARG 125 -21.185 7.819 -12.504 920 HH22 ARG 125 HH22 ARG 125 -21.728 9.331 -13.150 921 HA PRO 126 HA PRO 126 -20.532 2.893 -17.581 922 HB2 PRO 126 HB2 PRO 126 -19.736 4.949 -19.597 923 HB3 PRO 126 HB3 PRO 126 -21.305 4.149 -19.352 924 HG2 PRO 126 HG2 PRO 126 -20.988 6.643 -18.603 925 HG3 PRO 126 HG3 PRO 126 -21.867 5.507 -17.557 926 HD2 PRO 126 HD2 PRO 126 -19.059 6.536 -17.267 927 HD3 PRO 126 HD3 PRO 126 -20.300 6.259 -16.014 928 H GLY 127 H GLY 127 -19.660 1.256 -18.799 929 HA2 GLY 127 HA2 GLY 127 -18.149 0.076 -20.124 930 HA3 GLY 127 HA3 GLY 127 -17.180 1.540 -20.260 931 H ALA 128 H ALA 128 -17.972 0.751 -17.020 932 HA ALA 128 HA ALA 128 -15.415 0.586 -16.047 933 HB1 ALA 128 HB1 ALA 128 -16.343 -0.007 -14.018 934 HB2 ALA 128 HB2 ALA 128 -17.532 -1.081 -14.755 935 HB3 ALA 128 HB3 ALA 128 -17.749 0.667 -14.841 936 H PHE 129 H PHE 129 -14.115 -1.112 -15.275 937 HA PHE 129 HA PHE 129 -13.613 -3.165 -17.131 938 HB2 PHE 129 HB2 PHE 129 -12.709 -2.801 -14.280 939 HB3 PHE 129 HB3 PHE 129 -12.120 -4.100 -15.311 940 HD1 PHE 129 HD1 PHE 129 -11.499 -0.790 -14.246 941 HD2 PHE 129 HD2 PHE 129 -11.276 -3.306 -17.726 942 HE1 PHE 129 HE1 PHE 129 -9.824 0.738 -15.245 943 HE2 PHE 129 HE2 PHE 129 -9.603 -1.771 -18.722 944 HZ PHE 129 HZ PHE 129 -8.875 0.248 -17.482 945 H LYS 130 H LYS 130 -14.038 -5.335 -17.176 946 HA LYS 130 HA LYS 130 -15.363 -6.667 -14.982 947 HB2 LYS 130 HB2 LYS 130 -17.313 -7.438 -16.402 948 HB3 LYS 130 HB3 LYS 130 -17.359 -5.737 -15.942 949 HG2 LYS 130 HG2 LYS 130 -16.517 -5.081 -18.152 950 HG3 LYS 130 HG3 LYS 130 -16.349 -6.776 -18.616 951 HD2 LYS 130 HD2 LYS 130 -18.414 -6.088 -19.571 952 HD3 LYS 130 HD3 LYS 130 -18.862 -6.998 -18.130 953 HE2 LYS 130 HE2 LYS 130 -20.181 -4.959 -18.183 954 HE3 LYS 130 HE3 LYS 130 -19.009 -4.825 -16.873 955 HZ1 LYS 130 HZ1 LYS 130 -19.311 -2.895 -18.567 956 HZ2 LYS 130 HZ2 LYS 130 -18.289 -3.838 -19.544 957 HZ3 LYS 130 HZ3 LYS 130 -17.761 -3.305 -18.019 958 H ALA 131 H ALA 131 -14.298 -6.793 -18.350 959 HA ALA 131 HA ALA 131 -13.937 -9.690 -18.239 960 HB1 ALA 131 HB1 ALA 131 -13.635 -9.628 -20.555 961 HB2 ALA 131 HB2 ALA 131 -13.113 -7.943 -20.536 962 HB3 ALA 131 HB3 ALA 131 -14.808 -8.344 -20.260 963 H GLU 132 H GLU 132 -12.060 -6.965 -17.466 964 HA GLU 132 HA GLU 132 -9.510 -8.326 -18.052 965 HB2 GLU 132 HB2 GLU 132 -9.822 -5.985 -18.867 966 HB3 GLU 132 HB3 GLU 132 -9.981 -5.458 -17.190 967 HG2 GLU 132 HG2 GLU 132 -7.717 -6.294 -16.697 968 HG3 GLU 132 HG3 GLU 132 -7.553 -6.861 -18.358 969 H LEU 133 H LEU 133 -8.143 -8.992 -16.473 970 HA LEU 133 HA LEU 133 -9.071 -8.771 -13.670 971 HB2 LEU 133 HB2 LEU 133 -6.886 -10.605 -14.728 972 HB3 LEU 133 HB3 LEU 133 -7.675 -10.663 -13.168 973 HG LEU 133 HG LEU 133 -9.213 -11.032 -15.746 974 HD11 LEU 133 HD11 LEU 133 -7.421 -12.756 -15.480 975 HD12 LEU 133 HD12 LEU 133 -9.048 -13.428 -15.377 976 HD13 LEU 133 HD13 LEU 133 -8.106 -13.170 -13.908 977 HD21 LEU 133 HD21 LEU 133 -9.824 -11.926 -12.912 978 HD22 LEU 133 HD22 LEU 133 -10.922 -11.935 -14.291 979 HD23 LEU 133 HD23 LEU 133 -10.405 -10.403 -13.587 980 H SER 134 H SER 134 -7.758 -7.865 -12.104 981 HA SER 134 HA SER 134 -5.059 -7.040 -12.719 982 HB2 SER 134 HB2 SER 134 -6.325 -5.312 -13.879 983 HB3 SER 134 HB3 SER 134 -7.238 -4.978 -12.414 984 HG SER 134 HG SER 134 -5.422 -4.193 -11.474 985 H LYS 135 H LYS 135 -4.160 -5.629 -10.980 986 HA LYS 135 HA LYS 135 -5.248 -6.394 -8.337 987 HB2 LYS 135 HB2 LYS 135 -2.923 -6.210 -7.491 988 HB3 LYS 135 HB3 LYS 135 -3.088 -7.503 -8.678 989 HG2 LYS 135 HG2 LYS 135 -2.202 -5.948 -10.419 990 HG3 LYS 135 HG3 LYS 135 -1.989 -4.709 -9.182 991 HD2 LYS 135 HD2 LYS 135 -0.466 -6.232 -7.942 992 HD3 LYS 135 HD3 LYS 135 -0.644 -7.430 -9.226 993 HE2 LYS 135 HE2 LYS 135 0.408 -4.619 -9.656 994 HE3 LYS 135 HE3 LYS 135 1.433 -6.041 -9.450 995 HZ1 LYS 135 HZ1 LYS 135 0.964 -5.397 -11.805 996 HZ2 LYS 135 HZ2 LYS 135 -0.656 -5.834 -11.551 997 HZ3 LYS 135 HZ3 LYS 135 0.571 -6.999 -11.420 998 H LEU 136 H LEU 136 -5.305 -4.846 -6.737 999 HA LEU 136 HA LEU 136 -5.130 -2.067 -7.737 1000 HB2 LEU 136 HB2 LEU 136 -6.739 -3.110 -5.405 1001 HB3 LEU 136 HB3 LEU 136 -6.775 -1.477 -6.063 1002 HG LEU 136 HG LEU 136 -7.390 -2.780 -8.339 1003 HD11 LEU 136 HD11 LEU 136 -8.147 -4.702 -6.129 1004 HD12 LEU 136 HD12 LEU 136 -7.257 -5.046 -7.612 1005 HD13 LEU 136 HD13 LEU 136 -8.980 -4.696 -7.682 1006 HD21 LEU 136 HD21 LEU 136 -9.663 -2.209 -7.964 1007 HD22 LEU 136 HD22 LEU 136 -8.780 -1.116 -6.902 1008 HD23 LEU 136 HD23 LEU 136 -9.561 -2.548 -6.236 1009 H VAL 137 H VAL 137 -4.281 -0.431 -6.518 1010 HA VAL 137 HA VAL 137 -2.971 -1.057 -3.988 1011 HB VAL 137 HB VAL 137 -1.212 -1.355 -5.717 1012 HG11 VAL 137 HG11 VAL 137 -1.707 1.556 -6.405 1013 HG12 VAL 137 HG12 VAL 137 -2.163 0.181 -7.414 1014 HG13 VAL 137 HG13 VAL 137 -0.464 0.512 -7.087 1015 HG21 VAL 137 HG21 VAL 137 -0.825 1.209 -4.128 1016 HG22 VAL 137 HG22 VAL 137 0.450 0.151 -4.727 1017 HG23 VAL 137 HG23 VAL 137 -0.644 -0.415 -3.464 1018 H ILE 138 H ILE 138 -3.577 0.399 -2.556 1019 HA ILE 138 HA ILE 138 -4.387 3.095 -3.487 1020 HB ILE 138 HB ILE 138 -5.626 1.492 -1.216 1021 HG12 ILE 138 HG12 ILE 138 -7.680 1.698 -2.885 1022 HG13 ILE 138 HG13 ILE 138 -6.426 1.917 -4.112 1023 HG21 ILE 138 HG21 ILE 138 -5.812 3.836 -0.727 1024 HG22 ILE 138 HG22 ILE 138 -7.376 3.337 -1.375 1025 HG23 ILE 138 HG23 ILE 138 -6.240 4.217 -2.397 1026 HD11 ILE 138 HD11 ILE 138 -6.274 -0.401 -2.182 1027 HD12 ILE 138 HD12 ILE 138 -5.604 -0.265 -3.809 1028 HD13 ILE 138 HD13 ILE 138 -7.334 -0.484 -3.587 1029 H VAL 139 H VAL 139 -3.351 4.744 -2.617 1030 HA VAL 139 HA VAL 139 -1.985 4.386 -0.005 1031 HB VAL 139 HB VAL 139 -1.146 6.182 -2.321 1032 HG11 VAL 139 HG11 VAL 139 -0.683 7.016 0.045 1033 HG12 VAL 139 HG12 VAL 139 0.738 6.820 -0.979 1034 HG13 VAL 139 HG13 VAL 139 0.360 5.608 0.245 1035 HG21 VAL 139 HG21 VAL 139 0.693 4.679 -2.663 1036 HG22 VAL 139 HG22 VAL 139 -0.744 3.663 -2.558 1037 HG23 VAL 139 HG23 VAL 139 0.340 3.802 -1.173 1038 H ALA 140 H ALA 140 -2.961 5.505 1.530 1039 HA ALA 140 HA ALA 140 -4.350 8.029 0.832 1040 HB1 ALA 140 HB1 ALA 140 -6.107 6.523 1.227 1041 HB2 ALA 140 HB2 ALA 140 -5.919 7.378 2.759 1042 HB3 ALA 140 HB3 ALA 140 -5.262 5.753 2.571 1043 H LYS 141 H LYS 141 -4.214 9.716 2.229 1044 HA LYS 141 HA LYS 141 -2.136 9.553 4.285 1045 HB2 LYS 141 HB2 LYS 141 -2.126 11.341 2.476 1046 HB3 LYS 141 HB3 LYS 141 -3.549 12.019 3.277 1047 HG2 LYS 141 HG2 LYS 141 -2.213 12.052 5.430 1048 HG3 LYS 141 HG3 LYS 141 -0.797 11.639 4.470 1049 HD2 LYS 141 HD2 LYS 141 -2.515 14.048 3.835 1050 HD3 LYS 141 HD3 LYS 141 -1.144 14.140 4.941 1051 HE2 LYS 141 HE2 LYS 141 0.326 13.255 3.152 1052 HE3 LYS 141 HE3 LYS 141 -1.047 13.256 2.045 1053 HZ1 LYS 141 HZ1 LYS 141 -1.271 15.665 2.496 1054 HZ2 LYS 141 HZ2 LYS 141 0.188 15.253 1.728 1055 HZ3 LYS 141 HZ3 LYS 141 0.168 15.605 3.391 1056 H ALA 142 H ALA 142 -2.542 9.881 6.417 1057 HA ALA 142 HA ALA 142 -5.122 9.509 7.469 1058 HB1 ALA 142 HB1 ALA 142 -3.404 8.935 8.942 1059 HB2 ALA 142 HB2 ALA 142 -3.969 10.467 9.607 1060 HB3 ALA 142 HB3 ALA 142 -2.506 10.416 8.624 1061 H SER 143 H SER 143 -6.693 10.885 8.121 1062 HA SER 143 HA SER 143 -6.318 13.739 7.468 1063 HB2 SER 143 HB2 SER 143 -8.090 12.662 6.187 1064 HB3 SER 143 HB3 SER 143 -8.841 12.086 7.669 1065 HG SER 143 HG SER 143 -9.892 13.938 7.314 1066 H ARG 144 H ARG 144 -8.337 11.837 9.732 1067 HA ARG 144 HA ARG 144 -9.127 12.348 11.824 1068 HB2 ARG 144 HB2 ARG 144 -6.739 11.549 12.165 1069 HB3 ARG 144 HB3 ARG 144 -6.300 13.242 12.396 1070 HG2 ARG 144 HG2 ARG 144 -8.665 12.220 13.974 1071 HG3 ARG 144 HG3 ARG 144 -7.070 11.647 14.458 1072 HD2 ARG 144 HD2 ARG 144 -6.299 14.004 14.623 1073 HD3 ARG 144 HD3 ARG 144 -7.918 14.546 14.194 1074 HE ARG 144 HE ARG 144 -8.108 12.806 16.415 1075 HH11 ARG 144 HH11 ARG 144 -6.896 16.014 15.649 1076 HH12 ARG 144 HH12 ARG 144 -7.126 16.618 17.256 1077 HH21 ARG 144 HH21 ARG 144 -8.393 13.637 18.501 1078 HH22 ARG 144 HH22 ARG 144 -7.969 15.277 18.859 1079 H THR 145 H THR 145 -10.551 13.992 11.550 1080 HA THR 145 HA THR 145 -11.468 16.013 12.053 1081 HB THR 145 HB THR 145 -8.749 17.087 12.834 1082 HG1 THR 145 HG1 THR 145 -9.025 16.182 14.765 1083 HG21 THR 145 HG21 THR 145 -10.370 18.823 12.657 1084 HG22 THR 145 HG22 THR 145 -10.253 18.445 14.376 1085 HG23 THR 145 HG23 THR 145 -11.612 17.837 13.429 1086 H GLU 146 H GLU 146 -9.165 15.432 9.703 1087 HA GLU 146 HA GLU 146 -8.608 16.401 7.724 1088 HB2 GLU 146 HB2 GLU 146 -11.290 16.407 7.901 1089 HB3 GLU 146 HB3 GLU 146 -11.033 18.151 7.789 1090 HG2 GLU 146 HG2 GLU 146 -9.668 16.296 5.830 1091 HG3 GLU 146 HG3 GLU 146 -11.346 16.764 5.580 1092 H LEU 147 H LEU 147 -7.645 17.704 10.157 1093 HA LEU 147 HA LEU 147 -6.929 20.292 8.990 1094 HB2 LEU 147 HB2 LEU 147 -8.216 19.955 11.704 1095 HB3 LEU 147 HB3 LEU 147 -7.265 21.375 11.271 1096 HG LEU 147 HG LEU 147 -9.627 20.421 9.621 1097 HD11 LEU 147 HD11 LEU 147 -10.813 22.370 10.738 1098 HD12 LEU 147 HD12 LEU 147 -9.496 22.391 11.911 1099 HD13 LEU 147 HD13 LEU 147 -10.530 20.969 11.772 1100 HD21 LEU 147 HD21 LEU 147 -7.993 22.980 9.753 1101 HD22 LEU 147 HD22 LEU 147 -9.528 22.866 8.893 1102 HD23 LEU 147 HD23 LEU 147 -8.156 21.887 8.378 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 4.014 4.681 19.975 2 H2 GLY 1 HT2 GLY 1 4.574 4.365 18.401 3 H3 GLY 1 HT3 GLY 1 3.191 5.323 18.639 4 HA2 GLY 1 HA2 GLY 1 4.392 7.158 18.813 5 HA3 GLY 1 HA3 GLY 1 5.373 6.411 20.075 6 H SER 2 H SER 2 7.021 4.805 19.303 7 HA SER 2 HA SER 2 8.914 4.311 18.117 8 HB2 SER 2 HB2 SER 2 7.589 3.440 16.357 9 HB3 SER 2 HB3 SER 2 7.046 5.036 15.863 10 HG SER 2 HG SER 2 9.785 4.299 15.824 11 H LYS 3 H LYS 3 10.796 5.233 17.262 12 HA LYS 3 HA LYS 3 10.808 8.034 16.488 13 HB2 LYS 3 HB2 LYS 3 10.920 7.905 19.057 14 HB3 LYS 3 HB3 LYS 3 12.527 7.211 18.831 15 HG2 LYS 3 HG2 LYS 3 12.887 9.556 19.108 16 HG3 LYS 3 HG3 LYS 3 13.045 9.261 17.374 17 HD2 LYS 3 HD2 LYS 3 10.759 10.042 16.989 18 HD3 LYS 3 HD3 LYS 3 10.496 10.214 18.725 19 HE2 LYS 3 HE2 LYS 3 12.280 11.918 18.823 20 HE3 LYS 3 HE3 LYS 3 12.527 11.755 17.084 21 HZ1 LYS 3 HZ1 LYS 3 10.016 12.246 16.967 22 HZ2 LYS 3 HZ2 LYS 3 11.091 13.534 17.233 23 HZ3 LYS 3 HZ3 LYS 3 10.215 12.871 18.530 24 H GLY 4 H GLY 4 11.933 7.870 14.645 25 HA2 GLY 4 HA2 GLY 4 13.732 7.571 13.230 26 HA3 GLY 4 HA3 GLY 4 14.699 7.170 14.643 27 H THR 5 H THR 5 11.790 5.349 13.988 28 HA THR 5 HA THR 5 13.383 3.105 12.904 29 HB THR 5 HB THR 5 12.107 1.533 14.301 30 HG1 THR 5 HG1 THR 5 10.512 2.192 15.510 31 HG21 THR 5 HG21 THR 5 14.276 2.540 15.095 32 HG22 THR 5 HG22 THR 5 13.215 1.991 16.391 33 HG23 THR 5 HG23 THR 5 13.329 3.710 16.013 34 H VAL 6 H VAL 6 12.040 1.415 11.870 35 HA VAL 6 HA VAL 6 9.540 2.485 10.718 36 HB VAL 6 HB VAL 6 10.160 1.495 8.533 37 HG11 VAL 6 HG11 VAL 6 12.197 3.444 9.646 38 HG12 VAL 6 HG12 VAL 6 10.622 3.868 8.975 39 HG13 VAL 6 HG13 VAL 6 11.867 3.176 7.934 40 HG21 VAL 6 HG21 VAL 6 12.832 0.993 9.901 41 HG22 VAL 6 HG22 VAL 6 12.544 0.826 8.170 42 HG23 VAL 6 HG23 VAL 6 11.721 -0.243 9.306 43 H SER 7 H SER 7 8.098 0.838 9.833 44 HA SER 7 HA SER 7 8.398 -1.787 11.167 45 HB2 SER 7 HB2 SER 7 5.872 -0.155 10.822 46 HB3 SER 7 HB3 SER 7 5.942 -1.794 11.459 47 HG SER 7 HG SER 7 6.247 0.452 12.774 48 H GLU 8 H GLU 8 7.718 -3.586 10.054 49 HA GLU 8 HA GLU 8 7.674 -3.333 7.182 50 HB2 GLU 8 HB2 GLU 8 7.469 -5.756 8.987 51 HB3 GLU 8 HB3 GLU 8 7.560 -5.827 7.225 52 HG2 GLU 8 HG2 GLU 8 9.725 -4.662 7.276 53 HG3 GLU 8 HG3 GLU 8 9.639 -4.562 9.034 54 HA PRO 9 HA PRO 9 3.229 -3.455 6.591 55 HB2 PRO 9 HB2 PRO 9 2.983 -4.685 4.196 56 HB3 PRO 9 HB3 PRO 9 3.647 -3.044 4.357 57 HG2 PRO 9 HG2 PRO 9 5.094 -5.639 4.049 58 HG3 PRO 9 HG3 PRO 9 5.375 -4.091 3.228 59 HD2 PRO 9 HD2 PRO 9 6.891 -4.880 5.329 60 HD3 PRO 9 HD3 PRO 9 6.501 -3.166 5.039 61 H THR 10 H THR 10 1.371 -4.918 6.555 62 HA THR 10 HA THR 10 2.045 -7.625 7.469 63 HB THR 10 HB THR 10 0.735 -6.235 9.007 64 HG1 THR 10 HG1 THR 10 -0.717 -7.815 9.457 65 HG21 THR 10 HG21 THR 10 -0.551 -4.747 7.782 66 HG22 THR 10 HG22 THR 10 -1.763 -5.930 8.271 67 HG23 THR 10 HG23 THR 10 -1.093 -5.981 6.645 68 H THR 11 H THR 11 1.051 -9.424 6.597 69 HA THR 11 HA THR 11 -0.201 -9.006 3.947 70 HB THR 11 HB THR 11 1.460 -11.371 4.881 71 HG1 THR 11 HG1 THR 11 2.589 -9.373 4.502 72 HG21 THR 11 HG21 THR 11 0.064 -10.701 2.285 73 HG22 THR 11 HG22 THR 11 -0.031 -12.192 3.224 74 HG23 THR 11 HG23 THR 11 1.442 -11.803 2.334 75 H VAL 12 H VAL 12 -2.255 -9.586 3.742 76 HA VAL 12 HA VAL 12 -3.293 -11.811 5.380 77 HB VAL 12 HB VAL 12 -4.723 -9.165 4.931 78 HG11 VAL 12 HG11 VAL 12 -6.353 -10.974 4.916 79 HG12 VAL 12 HG12 VAL 12 -6.441 -10.172 6.482 80 HG13 VAL 12 HG13 VAL 12 -5.604 -11.715 6.330 81 HG21 VAL 12 HG21 VAL 12 -3.133 -8.824 6.663 82 HG22 VAL 12 HG22 VAL 12 -3.357 -10.447 7.311 83 HG23 VAL 12 HG23 VAL 12 -4.610 -9.231 7.535 84 H ALA 13 H ALA 13 -4.444 -13.293 4.293 85 HA ALA 13 HA ALA 13 -4.991 -12.824 1.444 86 HB1 ALA 13 HB1 ALA 13 -5.300 -15.509 2.723 87 HB2 ALA 13 HB2 ALA 13 -3.675 -14.879 2.453 88 HB3 ALA 13 HB3 ALA 13 -4.773 -15.101 1.091 89 H PHE 14 H PHE 14 -7.073 -13.367 0.498 90 HA PHE 14 HA PHE 14 -9.252 -13.875 2.391 91 HB2 PHE 14 HB2 PHE 14 -10.595 -11.993 1.641 92 HB3 PHE 14 HB3 PHE 14 -9.051 -11.397 2.239 93 HD1 PHE 14 HD1 PHE 14 -11.227 -11.762 -0.676 94 HD2 PHE 14 HD2 PHE 14 -7.291 -10.655 0.626 95 HE1 PHE 14 HE1 PHE 14 -10.825 -10.644 -2.852 96 HE2 PHE 14 HE2 PHE 14 -6.888 -9.536 -1.556 97 HZ PHE 14 HZ PHE 14 -8.648 -9.524 -3.289 98 H ASP 15 H ASP 15 -11.301 -14.411 1.354 99 HA ASP 15 HA ASP 15 -10.835 -15.927 -1.122 100 HB2 ASP 15 HB2 ASP 15 -13.105 -16.119 0.878 101 HB3 ASP 15 HB3 ASP 15 -12.848 -17.173 -0.510 102 H VAL 16 H VAL 16 -11.669 -15.274 -2.990 103 HA VAL 16 HA VAL 16 -13.758 -13.192 -2.989 104 HB VAL 16 HB VAL 16 -11.764 -12.737 -4.398 105 HG11 VAL 16 HG11 VAL 16 -12.551 -15.065 -6.151 106 HG12 VAL 16 HG12 VAL 16 -11.353 -15.238 -4.875 107 HG13 VAL 16 HG13 VAL 16 -11.072 -14.110 -6.197 108 HG21 VAL 16 HG21 VAL 16 -14.260 -12.178 -5.091 109 HG22 VAL 16 HG22 VAL 16 -13.974 -13.350 -6.368 110 HG23 VAL 16 HG23 VAL 16 -12.954 -11.919 -6.242 111 H ARG 17 H ARG 17 -15.699 -14.034 -2.806 112 HA ARG 17 HA ARG 17 -16.272 -16.611 -4.072 113 HB2 ARG 17 HB2 ARG 17 -17.694 -15.114 -1.874 114 HB3 ARG 17 HB3 ARG 17 -18.253 -16.643 -2.556 115 HG2 ARG 17 HG2 ARG 17 -16.202 -17.768 -1.894 116 HG3 ARG 17 HG3 ARG 17 -15.487 -16.239 -1.368 117 HD2 ARG 17 HD2 ARG 17 -16.303 -17.519 0.550 118 HD3 ARG 17 HD3 ARG 17 -17.206 -16.023 0.380 119 HE ARG 17 HE ARG 17 -18.180 -18.750 -0.286 120 HH11 ARG 17 HH11 ARG 17 -18.929 -15.331 0.221 121 HH12 ARG 17 HH12 ARG 17 -20.634 -15.605 0.248 122 HH21 ARG 17 HH21 ARG 17 -20.415 -19.027 -0.239 123 HH22 ARG 17 HH22 ARG 17 -21.468 -17.671 -0.013 124 HA PRO 18 HA PRO 18 -18.566 -14.043 -7.092 125 HB2 PRO 18 HB2 PRO 18 -19.057 -15.909 -8.935 126 HB3 PRO 18 HB3 PRO 18 -17.434 -15.219 -8.721 127 HG2 PRO 18 HG2 PRO 18 -18.529 -17.811 -7.722 128 HG3 PRO 18 HG3 PRO 18 -16.965 -17.473 -8.496 129 HD2 PRO 18 HD2 PRO 18 -17.224 -17.713 -5.799 130 HD3 PRO 18 HD3 PRO 18 -16.019 -16.641 -6.555 131 H GLY 19 H GLY 19 -20.699 -14.300 -8.275 132 HA2 GLY 19 HA2 GLY 19 -22.795 -15.857 -8.101 133 HA3 GLY 19 HA3 GLY 19 -22.719 -15.364 -6.413 134 H GLY 20 H GLY 20 -21.663 -12.867 -8.496 135 HA2 GLY 20 HA2 GLY 20 -22.598 -10.929 -9.295 136 HA3 GLY 20 HA3 GLY 20 -24.167 -11.727 -9.243 137 H VAL 21 H VAL 21 -22.195 -11.580 -6.366 138 HA VAL 21 HA VAL 21 -24.020 -9.552 -5.201 139 HB VAL 21 HB VAL 21 -22.624 -11.862 -3.809 140 HG11 VAL 21 HG11 VAL 21 -22.914 -9.944 -2.314 141 HG12 VAL 21 HG12 VAL 21 -24.040 -11.224 -1.862 142 HG13 VAL 21 HG13 VAL 21 -24.617 -9.822 -2.765 143 HG21 VAL 21 HG21 VAL 21 -25.544 -11.445 -4.553 144 HG22 VAL 21 HG22 VAL 21 -24.960 -12.744 -3.513 145 HG23 VAL 21 HG23 VAL 21 -24.467 -12.680 -5.204 146 H VAL 22 H VAL 22 -23.134 -7.759 -4.605 147 HA VAL 22 HA VAL 22 -20.339 -7.308 -4.780 148 HB VAL 22 HB VAL 22 -20.877 -5.071 -3.945 149 HG11 VAL 22 HG11 VAL 22 -21.052 -5.353 -6.280 150 HG12 VAL 22 HG12 VAL 22 -22.505 -4.474 -5.801 151 HG13 VAL 22 HG13 VAL 22 -22.588 -6.206 -6.133 152 HG21 VAL 22 HG21 VAL 22 -22.650 -5.443 -2.365 153 HG22 VAL 22 HG22 VAL 22 -23.654 -6.238 -3.576 154 HG23 VAL 22 HG23 VAL 22 -23.357 -4.506 -3.678 155 H HIS 23 H HIS 23 -18.875 -7.726 -3.329 156 HA HIS 23 HA HIS 23 -19.689 -7.978 -0.495 157 HB2 HIS 23 HB2 HIS 23 -17.446 -9.400 -1.946 158 HB3 HIS 23 HB3 HIS 23 -17.794 -9.537 -0.225 159 HD2 HIS 23 HD2 HIS 23 -18.796 -11.265 -3.468 160 HE1 HIS 23 HE1 HIS 23 -21.805 -12.262 -0.688 161 HE2 HIS 23 HE2 HIS 23 -20.850 -12.792 -2.974 162 H SER 24 H SER 24 -18.626 -6.870 0.987 163 HA SER 24 HA SER 24 -16.372 -5.160 0.111 164 HB2 SER 24 HB2 SER 24 -18.464 -4.632 2.230 165 HB3 SER 24 HB3 SER 24 -17.066 -3.608 1.915 166 HG SER 24 HG SER 24 -18.554 -2.736 0.623 167 H PHE 25 H PHE 25 -14.494 -5.490 1.040 168 HA PHE 25 HA PHE 25 -14.379 -6.751 3.708 169 HB2 PHE 25 HB2 PHE 25 -13.843 -8.425 1.916 170 HB3 PHE 25 HB3 PHE 25 -12.506 -7.390 1.404 171 HD1 PHE 25 HD1 PHE 25 -13.833 -9.439 4.210 172 HD2 PHE 25 HD2 PHE 25 -10.447 -7.305 2.647 173 HE1 PHE 25 HE1 PHE 25 -12.392 -10.441 5.962 174 HE2 PHE 25 HE2 PHE 25 -9.007 -8.308 4.400 175 HZ PHE 25 HZ PHE 25 -9.980 -9.874 6.057 176 H SER 26 H SER 26 -13.428 -5.407 5.070 177 HA SER 26 HA SER 26 -11.564 -3.379 4.024 178 HB2 SER 26 HB2 SER 26 -12.177 -2.004 5.848 179 HB3 SER 26 HB3 SER 26 -13.672 -2.686 5.220 180 HG SER 26 HG SER 26 -13.497 -4.299 6.864 181 H HIS 27 H HIS 27 -9.875 -2.667 5.624 182 HA HIS 27 HA HIS 27 -8.927 -4.729 7.451 183 HB2 HIS 27 HB2 HIS 27 -8.013 -5.332 5.170 184 HB3 HIS 27 HB3 HIS 27 -7.107 -3.816 5.215 185 HD2 HIS 27 HD2 HIS 27 -6.917 -7.392 6.738 186 HE1 HIS 27 HE1 HIS 27 -3.802 -5.131 8.475 187 HE2 HIS 27 HE2 HIS 27 -4.782 -7.457 8.243 188 H ASN 28 H ASN 28 -7.654 -3.972 9.054 189 HA ASN 28 HA ASN 28 -6.494 -1.308 8.945 190 HB2 ASN 28 HB2 ASN 28 -7.651 -0.475 10.909 191 HB3 ASN 28 HB3 ASN 28 -8.841 -0.930 9.690 192 HD21 ASN 28 HD21 ASN 28 -9.537 -0.771 12.463 193 HD22 ASN 28 HD22 ASN 28 -9.888 -2.335 13.021 194 H VAL 29 H VAL 29 -5.256 -0.843 11.002 195 HA VAL 29 HA VAL 29 -4.301 -3.353 12.256 196 HB VAL 29 HB VAL 29 -1.990 -2.449 12.223 197 HG11 VAL 29 HG11 VAL 29 -1.558 -3.026 9.937 198 HG12 VAL 29 HG12 VAL 29 -3.177 -2.536 9.441 199 HG13 VAL 29 HG13 VAL 29 -2.957 -3.975 10.438 200 HG21 VAL 29 HG21 VAL 29 -1.635 -0.567 10.462 201 HG22 VAL 29 HG22 VAL 29 -2.255 -0.094 12.036 202 HG23 VAL 29 HG23 VAL 29 -3.356 -0.235 10.668 203 H GLY 30 H GLY 30 -3.240 -3.100 14.325 204 HA2 GLY 30 HA2 GLY 30 -4.772 -1.958 16.241 205 HA3 GLY 30 HA3 GLY 30 -3.049 -2.237 16.472 206 HA PRO 31 HA PRO 31 -2.137 2.148 16.779 207 HB2 PRO 31 HB2 PRO 31 -0.455 1.994 14.310 208 HB3 PRO 31 HB3 PRO 31 -0.040 2.621 15.921 209 HG2 PRO 31 HG2 PRO 31 0.906 0.302 15.162 210 HG3 PRO 31 HG3 PRO 31 0.266 0.492 16.809 211 HD2 PRO 31 HD2 PRO 31 -1.036 -0.824 14.437 212 HD3 PRO 31 HD3 PRO 31 -1.009 -1.339 16.144 213 H GLY 32 H GLY 32 -2.665 1.031 13.479 214 HA2 GLY 32 HA2 GLY 32 -3.815 3.571 12.612 215 HA3 GLY 32 HA3 GLY 32 -3.426 2.196 11.585 216 H ASP 33 H ASP 33 -5.406 2.067 14.565 217 HA ASP 33 HA ASP 33 -7.472 0.553 13.359 218 HB2 ASP 33 HB2 ASP 33 -7.433 2.226 15.875 219 HB3 ASP 33 HB3 ASP 33 -8.848 1.310 15.368 220 H LYS 34 H LYS 34 -7.053 4.008 13.777 221 HA LYS 34 HA LYS 34 -9.631 4.879 13.004 222 HB2 LYS 34 HB2 LYS 34 -6.920 6.209 12.875 223 HB3 LYS 34 HB3 LYS 34 -8.404 7.013 12.406 224 HG2 LYS 34 HG2 LYS 34 -8.481 7.665 14.549 225 HG3 LYS 34 HG3 LYS 34 -9.202 6.090 14.841 226 HD2 LYS 34 HD2 LYS 34 -7.487 6.298 16.434 227 HD3 LYS 34 HD3 LYS 34 -6.786 5.248 15.207 228 HE2 LYS 34 HE2 LYS 34 -5.627 7.190 14.210 229 HE3 LYS 34 HE3 LYS 34 -6.348 8.248 15.422 230 HZ1 LYS 34 HZ1 LYS 34 -4.259 6.210 15.740 231 HZ2 LYS 34 HZ2 LYS 34 -5.279 6.553 17.055 232 HZ3 LYS 34 HZ3 LYS 34 -4.330 7.783 16.366 233 H TYR 35 H TYR 35 -6.719 4.110 11.202 234 HA TYR 35 HA TYR 35 -7.934 4.913 8.651 235 HB2 TYR 35 HB2 TYR 35 -5.149 3.966 9.356 236 HB3 TYR 35 HB3 TYR 35 -5.662 4.436 7.736 237 HD1 TYR 35 HD1 TYR 35 -4.962 5.624 11.157 238 HD2 TYR 35 HD2 TYR 35 -6.124 6.771 7.184 239 HE1 TYR 35 HE1 TYR 35 -4.536 8.002 11.719 240 HE2 TYR 35 HE2 TYR 35 -5.696 9.150 7.758 241 HH TYR 35 HH TYR 35 -5.263 10.230 10.933 242 H THR 36 H THR 36 -8.599 3.538 7.078 243 HA THR 36 HA THR 36 -7.820 0.738 7.092 244 HB THR 36 HB THR 36 -9.659 0.709 8.704 245 HG1 THR 36 HG1 THR 36 -10.309 -0.342 6.155 246 HG21 THR 36 HG21 THR 36 -11.878 1.440 8.176 247 HG22 THR 36 HG22 THR 36 -11.452 1.726 6.489 248 HG23 THR 36 HG23 THR 36 -10.797 2.768 7.752 249 H CYS 37 H CYS 37 -8.325 -0.400 5.178 250 HA CYS 37 HA CYS 37 -9.188 1.293 2.896 251 HB2 CYS 37 HB2 CYS 37 -7.389 -1.159 2.892 252 HB3 CYS 37 HB3 CYS 37 -7.915 -0.284 1.455 253 H MET 38 H MET 38 -11.140 0.746 2.017 254 HA MET 38 HA MET 38 -12.214 -1.932 2.594 255 HB2 MET 38 HB2 MET 38 -13.674 0.521 1.620 256 HB3 MET 38 HB3 MET 38 -14.405 -1.050 1.960 257 HG2 MET 38 HG2 MET 38 -13.439 -0.834 4.296 258 HG3 MET 38 HG3 MET 38 -13.099 0.846 3.900 259 HE1 MET 38 HE1 MET 38 -14.862 2.565 3.145 260 HE2 MET 38 HE2 MET 38 -16.607 2.303 3.081 261 HE3 MET 38 HE3 MET 38 -15.561 1.486 1.932 262 H PHE 39 H PHE 39 -12.925 -3.238 1.060 263 HA PHE 39 HA PHE 39 -12.378 -2.452 -1.750 264 HB2 PHE 39 HB2 PHE 39 -11.711 -5.136 -0.508 265 HB3 PHE 39 HB3 PHE 39 -11.470 -4.683 -2.194 266 HD1 PHE 39 HD1 PHE 39 -10.026 -4.668 1.095 267 HD2 PHE 39 HD2 PHE 39 -9.981 -2.609 -2.678 268 HE1 PHE 39 HE1 PHE 39 -7.842 -3.652 1.677 269 HE2 PHE 39 HE2 PHE 39 -7.791 -1.597 -2.096 270 HZ PHE 39 HZ PHE 39 -6.722 -2.119 0.081 271 H THR 40 H THR 40 -14.293 -2.315 -2.657 272 HA THR 40 HA THR 40 -16.306 -4.412 -2.124 273 HB THR 40 HB THR 40 -16.662 -1.635 -3.317 274 HG1 THR 40 HG1 THR 40 -16.260 -1.573 -1.114 275 HG21 THR 40 HG21 THR 40 -18.597 -3.884 -2.728 276 HG22 THR 40 HG22 THR 40 -18.381 -3.000 -4.238 277 HG23 THR 40 HG23 THR 40 -19.126 -2.206 -2.852 278 H TYR 41 H TYR 41 -16.783 -5.825 -3.695 279 HA TYR 41 HA TYR 41 -16.284 -5.191 -6.495 280 HB2 TYR 41 HB2 TYR 41 -14.831 -7.172 -6.854 281 HB3 TYR 41 HB3 TYR 41 -14.085 -5.964 -5.807 282 HD1 TYR 41 HD1 TYR 41 -15.717 -9.287 -5.904 283 HD2 TYR 41 HD2 TYR 41 -13.701 -6.395 -3.453 284 HE1 TYR 41 HE1 TYR 41 -15.464 -10.981 -4.111 285 HE2 TYR 41 HE2 TYR 41 -13.446 -8.087 -1.661 286 HH TYR 41 HH TYR 41 -14.304 -10.137 -0.925 287 H ALA 42 H ALA 42 -17.027 -6.815 -7.980 288 HA ALA 42 HA ALA 42 -18.972 -8.738 -6.866 289 HB1 ALA 42 HB1 ALA 42 -20.469 -8.071 -8.860 290 HB2 ALA 42 HB2 ALA 42 -19.495 -6.602 -8.927 291 HB3 ALA 42 HB3 ALA 42 -20.421 -6.979 -7.474 292 H SER 43 H SER 43 -18.931 -10.704 -7.831 293 HA SER 43 HA SER 43 -17.558 -10.976 -10.424 294 HB2 SER 43 HB2 SER 43 -16.938 -12.626 -7.968 295 HB3 SER 43 HB3 SER 43 -16.279 -12.890 -9.581 296 HG SER 43 HG SER 43 -15.684 -10.482 -9.275 297 H GLN 44 H GLN 44 -17.896 -12.996 -11.484 298 HA GLN 44 HA GLN 44 -20.292 -14.491 -10.648 299 HB2 GLN 44 HB2 GLN 44 -20.833 -12.847 -12.472 300 HB3 GLN 44 HB3 GLN 44 -19.680 -13.692 -13.505 301 HG2 GLN 44 HG2 GLN 44 -21.942 -14.523 -13.956 302 HG3 GLN 44 HG3 GLN 44 -20.980 -15.795 -13.201 303 HE21 GLN 44 HE21 GLN 44 -22.255 -16.916 -11.726 304 HE22 GLN 44 HE22 GLN 44 -23.395 -16.211 -10.686 305 H GLY 45 H GLY 45 -19.999 -16.626 -10.630 306 HA2 GLY 45 HA2 GLY 45 -18.738 -18.299 -12.386 307 HA3 GLY 45 HA3 GLY 45 -17.454 -17.777 -11.291 308 H GLY 46 H GLY 46 -17.667 -20.292 -11.020 309 HA2 GLY 46 HA2 GLY 46 -19.593 -20.852 -8.832 310 HA3 GLY 46 HA3 GLY 46 -19.028 -22.060 -9.978 311 H THR 47 H THR 47 -16.323 -20.267 -9.333 312 HA THR 47 HA THR 47 -15.607 -21.818 -6.914 313 HB THR 47 HB THR 47 -13.845 -21.482 -9.362 314 HG1 THR 47 HG1 THR 47 -15.263 -23.024 -9.887 315 HG21 THR 47 HG21 THR 47 -13.455 -22.821 -6.680 316 HG22 THR 47 HG22 THR 47 -12.419 -21.627 -7.464 317 HG23 THR 47 HG23 THR 47 -12.502 -23.272 -8.094 318 H ASN 48 H ASN 48 -14.601 -20.696 -5.357 319 HA ASN 48 HA ASN 48 -14.077 -17.895 -5.800 320 HB2 ASN 48 HB2 ASN 48 -13.646 -17.792 -3.381 321 HB3 ASN 48 HB3 ASN 48 -15.173 -18.608 -3.712 322 HD21 ASN 48 HD21 ASN 48 -14.796 -19.561 -1.468 323 HD22 ASN 48 HD22 ASN 48 -13.810 -20.935 -1.330 324 H GLU 49 H GLU 49 -11.937 -17.100 -4.523 325 HA GLU 49 HA GLU 49 -9.667 -18.816 -5.118 326 HB2 GLU 49 HB2 GLU 49 -10.293 -17.481 -7.191 327 HB3 GLU 49 HB3 GLU 49 -9.795 -16.045 -6.296 328 HG2 GLU 49 HG2 GLU 49 -7.933 -16.850 -7.634 329 HG3 GLU 49 HG3 GLU 49 -7.563 -17.085 -5.932 330 H GLN 50 H GLN 50 -7.711 -18.103 -4.193 331 HA GLN 50 HA GLN 50 -8.090 -16.288 -1.905 332 HB2 GLN 50 HB2 GLN 50 -6.054 -18.464 -2.397 333 HB3 GLN 50 HB3 GLN 50 -6.037 -17.381 -1.002 334 HG2 GLN 50 HG2 GLN 50 -8.289 -18.150 -0.368 335 HG3 GLN 50 HG3 GLN 50 -8.314 -19.231 -1.765 336 HE21 GLN 50 HE21 GLN 50 -7.854 -19.335 1.491 337 HE22 GLN 50 HE22 GLN 50 -6.748 -20.619 1.594 338 H TRP 51 H TRP 51 -7.369 -14.334 -2.156 339 HA TRP 51 HA TRP 51 -5.012 -13.793 -3.856 340 HB2 TRP 51 HB2 TRP 51 -7.383 -12.078 -3.101 341 HB3 TRP 51 HB3 TRP 51 -5.906 -11.393 -3.773 342 HD1 TRP 51 HD1 TRP 51 -8.317 -14.303 -4.704 343 HE1 TRP 51 HE1 TRP 51 -8.619 -14.271 -7.282 344 HE3 TRP 51 HE3 TRP 51 -5.264 -10.386 -5.911 345 HZ2 TRP 51 HZ2 TRP 51 -7.668 -12.746 -9.570 346 HZ3 TRP 51 HZ3 TRP 51 -4.985 -9.668 -8.265 347 HH2 TRP 51 HH2 TRP 51 -6.185 -10.845 -10.087 348 H GLN 52 H GLN 52 -3.394 -12.358 -3.063 349 HA GLN 52 HA GLN 52 -3.230 -12.298 -0.114 350 HB2 GLN 52 HB2 GLN 52 -1.061 -11.782 -2.171 351 HB3 GLN 52 HB3 GLN 52 -0.844 -11.831 -0.429 352 HG2 GLN 52 HG2 GLN 52 -1.988 -14.176 -1.947 353 HG3 GLN 52 HG3 GLN 52 -0.255 -13.983 -1.690 354 HE21 GLN 52 HE21 GLN 52 -1.269 -16.244 -0.560 355 HE22 GLN 52 HE22 GLN 52 -1.448 -16.087 1.119 356 H MET 53 H MET 53 -3.022 -10.439 1.018 357 HA MET 53 HA MET 53 -3.108 -7.894 -0.488 358 HB2 MET 53 HB2 MET 53 -4.524 -8.506 2.121 359 HB3 MET 53 HB3 MET 53 -4.522 -6.961 1.275 360 HG2 MET 53 HG2 MET 53 -5.539 -8.153 -0.710 361 HG3 MET 53 HG3 MET 53 -5.717 -9.564 0.320 362 HE1 MET 53 HE1 MET 53 -6.361 -9.393 2.624 363 HE2 MET 53 HE2 MET 53 -8.113 -9.455 2.490 364 HE3 MET 53 HE3 MET 53 -7.358 -8.138 3.374 365 H SER 54 H SER 54 -1.867 -6.253 0.303 366 HA SER 54 HA SER 54 -0.383 -6.740 2.794 367 HB2 SER 54 HB2 SER 54 1.720 -6.052 1.780 368 HB3 SER 54 HB3 SER 54 1.073 -7.454 0.936 369 HG SER 54 HG SER 54 1.775 -5.213 -0.136 370 H LEU 55 H LEU 55 -0.013 -4.950 4.018 371 HA LEU 55 HA LEU 55 -0.440 -2.316 2.803 372 HB2 LEU 55 HB2 LEU 55 -1.980 -1.617 4.600 373 HB3 LEU 55 HB3 LEU 55 -2.678 -2.840 3.542 374 HG LEU 55 HG LEU 55 -1.230 -3.822 6.005 375 HD11 LEU 55 HD11 LEU 55 -4.077 -2.824 6.187 376 HD12 LEU 55 HD12 LEU 55 -2.697 -1.866 6.715 377 HD13 LEU 55 HD13 LEU 55 -3.046 -3.408 7.494 378 HD21 LEU 55 HD21 LEU 55 -3.818 -4.648 4.626 379 HD22 LEU 55 HD22 LEU 55 -3.024 -5.524 5.935 380 HD23 LEU 55 HD23 LEU 55 -2.247 -5.406 4.367 381 H GLY 56 H GLY 56 0.418 -0.596 3.955 382 HA2 GLY 56 HA2 GLY 56 1.847 -1.085 6.444 383 HA3 GLY 56 HA3 GLY 56 2.866 -0.763 5.041 384 H THR 57 H THR 57 2.816 0.853 7.307 385 HA THR 57 HA THR 57 1.753 3.370 6.185 386 HB THR 57 HB THR 57 1.146 4.118 8.447 387 HG1 THR 57 HG1 THR 57 2.040 3.071 10.010 388 HG21 THR 57 HG21 THR 57 -0.872 2.891 8.644 389 HG22 THR 57 HG22 THR 57 -0.139 1.423 7.995 390 HG23 THR 57 HG23 THR 57 -0.455 2.796 6.933 391 H SER 58 H SER 58 2.842 5.283 6.955 392 HA SER 58 HA SER 58 5.680 5.034 7.000 393 HB2 SER 58 HB2 SER 58 4.626 7.007 6.046 394 HB3 SER 58 HB3 SER 58 3.881 7.389 7.597 395 HG SER 58 HG SER 58 6.575 7.523 6.788 396 H GLU 59 H GLU 59 7.126 5.625 8.714 397 HA GLU 59 HA GLU 59 6.559 4.433 11.179 398 HB2 GLU 59 HB2 GLU 59 8.638 5.480 11.992 399 HB3 GLU 59 HB3 GLU 59 8.857 4.791 10.385 400 HG2 GLU 59 HG2 GLU 59 8.490 7.053 9.395 401 HG3 GLU 59 HG3 GLU 59 8.367 7.720 11.025 402 H ASP 60 H ASP 60 6.052 7.738 10.126 403 HA ASP 60 HA ASP 60 5.071 8.468 12.808 404 HB2 ASP 60 HB2 ASP 60 5.103 10.798 12.021 405 HB3 ASP 60 HB3 ASP 60 6.688 10.041 11.863 406 H HIS 61 H HIS 61 3.791 6.930 10.318 407 HA HIS 61 HA HIS 61 1.712 6.593 9.474 408 HB2 HIS 61 HB2 HIS 61 0.966 8.084 11.997 409 HB3 HIS 61 HB3 HIS 61 -0.191 7.239 10.960 410 HD2 HIS 61 HD2 HIS 61 3.113 6.206 12.964 411 HE1 HIS 61 HE1 HIS 61 0.564 2.853 12.659 412 HE2 HIS 61 HE2 HIS 61 2.752 3.710 13.626 413 H GLN 62 H GLN 62 3.176 8.927 8.557 414 HA GLN 62 HA GLN 62 1.262 11.039 8.116 415 HB2 GLN 62 HB2 GLN 62 2.995 12.023 6.653 416 HB3 GLN 62 HB3 GLN 62 3.630 11.610 8.246 417 HG2 GLN 62 HG2 GLN 62 4.573 9.541 7.360 418 HG3 GLN 62 HG3 GLN 62 3.889 9.881 5.775 419 HE21 GLN 62 HE21 GLN 62 6.759 10.038 7.430 420 HE22 GLN 62 HE22 GLN 62 7.491 11.333 6.614 421 H HIS 63 H HIS 63 2.219 8.115 6.463 422 HA HIS 63 HA HIS 63 0.189 8.665 4.406 423 HB2 HIS 63 HB2 HIS 63 2.940 7.531 3.862 424 HB3 HIS 63 HB3 HIS 63 1.613 7.540 2.700 425 HD2 HIS 63 HD2 HIS 63 4.494 9.794 3.656 426 HE1 HIS 63 HE1 HIS 63 1.657 12.303 1.807 427 HE2 HIS 63 HE2 HIS 63 4.060 12.142 2.605 428 H PHE 64 H PHE 64 -0.912 6.893 3.587 429 HA PHE 64 HA PHE 64 -0.492 4.300 4.976 430 HB2 PHE 64 HB2 PHE 64 -3.131 5.628 4.279 431 HB3 PHE 64 HB3 PHE 64 -2.959 3.997 4.931 432 HD1 PHE 64 HD1 PHE 64 -2.670 7.595 5.659 433 HD2 PHE 64 HD2 PHE 64 -2.274 3.626 7.244 434 HE1 PHE 64 HE1 PHE 64 -2.586 8.523 7.957 435 HE2 PHE 64 HE2 PHE 64 -2.189 4.551 9.542 436 HZ PHE 64 HZ PHE 64 -2.344 7.000 9.899 437 H THR 65 H THR 65 -0.595 2.460 3.690 438 HA THR 65 HA THR 65 -1.439 2.794 0.878 439 HB THR 65 HB THR 65 0.503 1.460 0.125 440 HG1 THR 65 HG1 THR 65 1.187 1.704 2.856 441 HG21 THR 65 HG21 THR 65 1.446 3.848 1.712 442 HG22 THR 65 HG22 THR 65 0.472 4.007 0.250 443 HG23 THR 65 HG23 THR 65 2.062 3.253 0.169 444 H CYS 66 H CYS 66 -2.366 1.046 -0.114 445 HA CYS 66 HA CYS 66 -2.479 -1.519 1.308 446 HB2 CYS 66 HB2 CYS 66 -4.911 -0.021 0.286 447 HB3 CYS 66 HB3 CYS 66 -4.909 -1.715 0.793 448 H THR 67 H THR 67 -2.195 -3.228 -0.038 449 HA THR 67 HA THR 67 -2.494 -2.811 -2.961 450 HB THR 67 HB THR 67 -0.179 -4.199 -1.598 451 HG1 THR 67 HG1 THR 67 -0.285 -1.856 -1.456 452 HG21 THR 67 HG21 THR 67 0.669 -4.728 -3.680 453 HG22 THR 67 HG22 THR 67 -0.102 -3.354 -4.463 454 HG23 THR 67 HG23 THR 67 -1.044 -4.796 -4.091 455 H ILE 68 H ILE 68 -3.423 -4.442 -4.095 456 HA ILE 68 HA ILE 68 -3.776 -7.082 -2.787 457 HB ILE 68 HB ILE 68 -5.911 -5.649 -4.420 458 HG12 ILE 68 HG12 ILE 68 -5.936 -6.289 -1.445 459 HG13 ILE 68 HG13 ILE 68 -5.440 -4.721 -2.080 460 HG21 ILE 68 HG21 ILE 68 -6.023 -8.241 -2.828 461 HG22 ILE 68 HG22 ILE 68 -5.907 -8.147 -4.586 462 HG23 ILE 68 HG23 ILE 68 -7.343 -7.534 -3.764 463 HD11 ILE 68 HD11 ILE 68 -7.905 -4.982 -1.369 464 HD12 ILE 68 HD12 ILE 68 -8.096 -5.953 -2.826 465 HD13 ILE 68 HD13 ILE 68 -7.596 -4.266 -2.950 466 H TRP 69 H TRP 69 -3.107 -8.751 -4.027 467 HA TRP 69 HA TRP 69 -3.523 -8.777 -6.887 468 HB2 TRP 69 HB2 TRP 69 -1.207 -9.008 -7.610 469 HB3 TRP 69 HB3 TRP 69 -1.377 -7.493 -6.730 470 HD1 TRP 69 HD1 TRP 69 0.482 -10.735 -6.720 471 HE1 TRP 69 HE1 TRP 69 2.014 -10.866 -4.652 472 HE3 TRP 69 HE3 TRP 69 -1.263 -6.741 -4.121 473 HZ2 TRP 69 HZ2 TRP 69 2.429 -9.461 -2.208 474 HZ3 TRP 69 HZ3 TRP 69 -0.290 -6.152 -1.903 475 HH2 TRP 69 HH2 TRP 69 1.554 -7.525 -0.954 476 H ARG 70 H ARG 70 -2.858 -10.859 -7.907 477 HA ARG 70 HA ARG 70 -3.398 -13.072 -6.110 478 HB2 ARG 70 HB2 ARG 70 -4.500 -12.947 -8.336 479 HB3 ARG 70 HB3 ARG 70 -2.922 -13.061 -9.111 480 HG2 ARG 70 HG2 ARG 70 -3.771 -15.271 -9.138 481 HG3 ARG 70 HG3 ARG 70 -2.616 -15.260 -7.804 482 HD2 ARG 70 HD2 ARG 70 -4.545 -14.798 -6.239 483 HD3 ARG 70 HD3 ARG 70 -5.633 -15.022 -7.605 484 HE ARG 70 HE ARG 70 -4.197 -17.098 -6.162 485 HH11 ARG 70 HH11 ARG 70 -5.837 -16.297 -9.157 486 HH12 ARG 70 HH12 ARG 70 -6.201 -17.947 -9.539 487 HH21 ARG 70 HH21 ARG 70 -4.717 -19.230 -6.686 488 HH22 ARG 70 HH22 ARG 70 -5.567 -19.594 -8.150 489 HA PRO 71 HA PRO 71 1.078 -13.695 -5.618 490 HB2 PRO 71 HB2 PRO 71 1.101 -16.041 -4.265 491 HB3 PRO 71 HB3 PRO 71 0.630 -14.496 -3.522 492 HG2 PRO 71 HG2 PRO 71 -1.106 -16.676 -4.578 493 HG3 PRO 71 HG3 PRO 71 -1.245 -15.760 -3.066 494 HD2 PRO 71 HD2 PRO 71 -2.745 -15.166 -5.245 495 HD3 PRO 71 HD3 PRO 71 -2.202 -13.913 -4.108 496 H GLN 72 H GLN 72 -0.966 -16.361 -6.792 497 HA GLN 72 HA GLN 72 1.171 -17.814 -8.009 498 HB2 GLN 72 HB2 GLN 72 -1.822 -17.967 -8.274 499 HB3 GLN 72 HB3 GLN 72 -0.732 -19.027 -9.187 500 HG2 GLN 72 HG2 GLN 72 0.278 -19.781 -7.045 501 HG3 GLN 72 HG3 GLN 72 -0.861 -18.762 -6.162 502 HE21 GLN 72 HE21 GLN 72 -0.513 -21.840 -6.381 503 HE22 GLN 72 HE22 GLN 72 -2.079 -22.389 -6.736 504 H GLY 73 H GLY 73 -1.140 -15.407 -9.127 505 HA2 GLY 73 HA2 GLY 73 0.247 -14.108 -10.980 506 HA3 GLY 73 HA3 GLY 73 -0.195 -15.571 -11.863 507 H LYS 74 H LYS 74 -2.563 -16.151 -11.797 508 HA LYS 74 HA LYS 74 -4.311 -13.803 -11.579 509 HB2 LYS 74 HB2 LYS 74 -4.082 -15.462 -14.083 510 HB3 LYS 74 HB3 LYS 74 -5.284 -14.204 -13.785 511 HG2 LYS 74 HG2 LYS 74 -3.338 -12.613 -13.357 512 HG3 LYS 74 HG3 LYS 74 -2.286 -13.875 -13.985 513 HD2 LYS 74 HD2 LYS 74 -4.643 -12.806 -15.566 514 HD3 LYS 74 HD3 LYS 74 -3.011 -12.162 -15.725 515 HE2 LYS 74 HE2 LYS 74 -2.209 -14.466 -16.283 516 HE3 LYS 74 HE3 LYS 74 -3.881 -15.019 -16.251 517 HZ1 LYS 74 HZ1 LYS 74 -2.598 -13.153 -18.143 518 HZ2 LYS 74 HZ2 LYS 74 -4.282 -13.129 -17.907 519 HZ3 LYS 74 HZ3 LYS 74 -3.519 -14.537 -18.474 520 H SER 75 H SER 75 -6.559 -14.237 -11.653 521 HA SER 75 HA SER 75 -7.297 -17.000 -10.841 522 HB2 SER 75 HB2 SER 75 -7.503 -15.346 -8.991 523 HB3 SER 75 HB3 SER 75 -8.575 -14.391 -10.006 524 HG SER 75 HG SER 75 -9.894 -16.340 -10.138 525 H TYR 76 H TYR 76 -8.432 -17.957 -12.461 526 HA TYR 76 HA TYR 76 -9.685 -16.397 -14.525 527 HB2 TYR 76 HB2 TYR 76 -9.611 -19.372 -14.004 528 HB3 TYR 76 HB3 TYR 76 -10.405 -18.644 -15.405 529 HD1 TYR 76 HD1 TYR 76 -7.185 -19.362 -13.781 530 HD2 TYR 76 HD2 TYR 76 -9.104 -17.495 -17.141 531 HE1 TYR 76 HE1 TYR 76 -5.002 -19.223 -14.950 532 HE2 TYR 76 HE2 TYR 76 -6.920 -17.355 -18.310 533 HH TYR 76 HH TYR 76 -4.513 -17.314 -17.709 534 H LEU 77 H LEU 77 -11.246 -15.183 -13.499 535 HA LEU 77 HA LEU 77 -13.786 -16.574 -13.144 536 HB2 LEU 77 HB2 LEU 77 -12.566 -14.709 -11.104 537 HB3 LEU 77 HB3 LEU 77 -14.302 -15.023 -11.177 538 HG LEU 77 HG LEU 77 -12.276 -17.275 -10.984 539 HD11 LEU 77 HD11 LEU 77 -12.672 -17.297 -8.574 540 HD12 LEU 77 HD12 LEU 77 -13.764 -15.920 -8.715 541 HD13 LEU 77 HD13 LEU 77 -12.043 -15.717 -9.043 542 HD21 LEU 77 HD21 LEU 77 -14.659 -17.752 -11.729 543 HD22 LEU 77 HD22 LEU 77 -15.202 -17.118 -10.179 544 HD23 LEU 77 HD23 LEU 77 -14.193 -18.561 -10.239 545 H TYR 78 H TYR 78 -15.616 -15.305 -13.652 546 HA TYR 78 HA TYR 78 -15.034 -13.040 -15.406 547 HB2 TYR 78 HB2 TYR 78 -16.675 -14.838 -16.029 548 HB3 TYR 78 HB3 TYR 78 -17.712 -14.281 -14.713 549 HD1 TYR 78 HD1 TYR 78 -16.193 -13.351 -17.964 550 HD2 TYR 78 HD2 TYR 78 -18.982 -12.235 -14.894 551 HE1 TYR 78 HE1 TYR 78 -17.112 -11.587 -19.442 552 HE2 TYR 78 HE2 TYR 78 -19.901 -10.470 -16.372 553 HH TYR 78 HH TYR 78 -19.218 -9.144 -18.292 554 H PHE 79 H PHE 79 -14.527 -11.284 -14.180 555 HA PHE 79 HA PHE 79 -15.966 -10.650 -11.752 556 HB2 PHE 79 HB2 PHE 79 -13.807 -9.193 -13.276 557 HB3 PHE 79 HB3 PHE 79 -14.489 -8.631 -11.747 558 HD1 PHE 79 HD1 PHE 79 -12.389 -11.166 -13.376 559 HD2 PHE 79 HD2 PHE 79 -14.102 -9.863 -9.665 560 HE1 PHE 79 HE1 PHE 79 -10.843 -12.659 -12.140 561 HE2 PHE 79 HE2 PHE 79 -12.567 -11.360 -8.425 562 HZ PHE 79 HZ PHE 79 -10.934 -12.757 -9.662 563 H THR 80 H THR 80 -17.627 -9.308 -11.509 564 HA THR 80 HA THR 80 -18.948 -8.186 -13.792 565 HB THR 80 HB THR 80 -19.528 -7.818 -10.842 566 HG1 THR 80 HG1 THR 80 -20.517 -9.637 -12.781 567 HG21 THR 80 HG21 THR 80 -20.594 -6.118 -12.311 568 HG22 THR 80 HG22 THR 80 -21.783 -7.200 -11.585 569 HG23 THR 80 HG23 THR 80 -21.304 -7.419 -13.268 570 H GLN 81 H GLN 81 -17.109 -6.883 -11.036 571 HA GLN 81 HA GLN 81 -16.046 -4.677 -12.423 572 HB2 GLN 81 HB2 GLN 81 -17.309 -2.810 -11.374 573 HB3 GLN 81 HB3 GLN 81 -18.315 -3.771 -12.461 574 HG2 GLN 81 HG2 GLN 81 -19.139 -5.059 -10.457 575 HG3 GLN 81 HG3 GLN 81 -18.228 -3.955 -9.424 576 HE21 GLN 81 HE21 GLN 81 -21.311 -4.474 -10.367 577 HE22 GLN 81 HE22 GLN 81 -21.889 -2.879 -10.416 578 H PHE 82 H PHE 82 -14.876 -3.141 -10.969 579 HA PHE 82 HA PHE 82 -14.317 -4.365 -8.315 580 HB2 PHE 82 HB2 PHE 82 -12.332 -3.070 -10.175 581 HB3 PHE 82 HB3 PHE 82 -11.999 -3.675 -8.553 582 HD1 PHE 82 HD1 PHE 82 -12.584 -4.588 -12.049 583 HD2 PHE 82 HD2 PHE 82 -12.049 -6.091 -8.063 584 HE1 PHE 82 HE1 PHE 82 -12.114 -6.843 -12.964 585 HE2 PHE 82 HE2 PHE 82 -11.584 -8.350 -8.975 586 HZ PHE 82 HZ PHE 82 -11.606 -8.721 -11.425 587 H LYS 83 H LYS 83 -13.933 -2.985 -6.583 588 HA LYS 83 HA LYS 83 -13.809 -0.100 -7.055 589 HB2 LYS 83 HB2 LYS 83 -15.906 -1.329 -5.236 590 HB3 LYS 83 HB3 LYS 83 -15.603 0.392 -5.482 591 HG2 LYS 83 HG2 LYS 83 -16.137 0.144 -7.878 592 HG3 LYS 83 HG3 LYS 83 -16.470 -1.564 -7.611 593 HD2 LYS 83 HD2 LYS 83 -18.241 -1.006 -6.012 594 HD3 LYS 83 HD3 LYS 83 -17.944 0.714 -6.283 595 HE2 LYS 83 HE2 LYS 83 -18.424 0.434 -8.646 596 HE3 LYS 83 HE3 LYS 83 -18.744 -1.284 -8.398 597 HZ1 LYS 83 HZ1 LYS 83 -20.391 -0.378 -6.616 598 HZ2 LYS 83 HZ2 LYS 83 -20.851 -0.411 -8.252 599 HZ3 LYS 83 HZ3 LYS 83 -20.332 1.042 -7.539 600 H ALA 84 H ALA 84 -12.684 1.003 -5.476 601 HA ALA 84 HA ALA 84 -11.983 -0.355 -2.968 602 HB1 ALA 84 HB1 ALA 84 -9.578 0.146 -3.270 603 HB2 ALA 84 HB2 ALA 84 -9.911 0.688 -4.916 604 HB3 ALA 84 HB3 ALA 84 -10.171 -1.000 -4.474 605 H GLU 85 H GLU 85 -11.694 1.025 -1.258 606 HA GLU 85 HA GLU 85 -11.233 3.855 -1.725 607 HB2 GLU 85 HB2 GLU 85 -13.284 4.613 -0.594 608 HB3 GLU 85 HB3 GLU 85 -13.666 3.668 -2.025 609 HG2 GLU 85 HG2 GLU 85 -14.210 1.714 -0.734 610 HG3 GLU 85 HG3 GLU 85 -13.558 2.434 0.742 611 H VAL 86 H VAL 86 -11.250 5.049 0.496 612 HA VAL 86 HA VAL 86 -10.328 3.231 2.627 613 HB VAL 86 HB VAL 86 -8.499 4.742 3.173 614 HG11 VAL 86 HG11 VAL 86 -8.147 2.740 1.737 615 HG12 VAL 86 HG12 VAL 86 -7.024 4.033 1.324 616 HG13 VAL 86 HG13 VAL 86 -8.431 3.731 0.306 617 HG21 VAL 86 HG21 VAL 86 -9.234 6.839 2.212 618 HG22 VAL 86 HG22 VAL 86 -9.351 6.124 0.603 619 HG23 VAL 86 HG23 VAL 86 -7.771 6.370 1.345 620 H ARG 87 H ARG 87 -10.096 4.264 4.744 621 HA ARG 87 HA ARG 87 -11.989 6.482 5.154 622 HB2 ARG 87 HB2 ARG 87 -12.145 3.723 6.131 623 HB3 ARG 87 HB3 ARG 87 -12.325 4.896 7.417 624 HG2 ARG 87 HG2 ARG 87 -14.353 5.669 6.662 625 HG3 ARG 87 HG3 ARG 87 -13.912 5.512 4.962 626 HD2 ARG 87 HD2 ARG 87 -14.222 3.190 5.018 627 HD3 ARG 87 HD3 ARG 87 -14.498 3.171 6.755 628 HE ARG 87 HE ARG 87 -16.707 3.805 6.378 629 HH11 ARG 87 HH11 ARG 87 -14.854 4.626 3.508 630 HH12 ARG 87 HH12 ARG 87 -16.245 5.140 2.613 631 HH21 ARG 87 HH21 ARG 87 -18.491 4.490 5.175 632 HH22 ARG 87 HH22 ARG 87 -18.290 5.061 3.553 633 H GLY 88 H GLY 88 -11.643 7.801 6.817 634 HA2 GLY 88 HA2 GLY 88 -10.514 8.845 8.562 635 HA3 GLY 88 HA3 GLY 88 -9.445 7.447 8.670 636 H ALA 89 H ALA 89 -9.454 8.240 5.458 637 HA ALA 89 HA ALA 89 -7.528 10.421 5.534 638 HB1 ALA 89 HB1 ALA 89 -5.982 8.674 5.932 639 HB2 ALA 89 HB2 ALA 89 -5.888 8.984 4.202 640 HB3 ALA 89 HB3 ALA 89 -6.791 7.593 4.799 641 H GLU 90 H GLU 90 -6.854 11.063 3.359 642 HA GLU 90 HA GLU 90 -8.937 10.477 1.339 643 HB2 GLU 90 HB2 GLU 90 -8.288 12.632 0.295 644 HB3 GLU 90 HB3 GLU 90 -8.827 12.862 1.956 645 HG2 GLU 90 HG2 GLU 90 -6.464 12.910 2.714 646 HG3 GLU 90 HG3 GLU 90 -5.932 12.699 1.045 647 H ILE 91 H ILE 91 -8.313 10.193 -0.812 648 HA ILE 91 HA ILE 91 -5.851 8.668 -1.006 649 HB ILE 91 HB ILE 91 -7.934 9.033 -3.170 650 HG12 ILE 91 HG12 ILE 91 -8.556 6.572 -2.120 651 HG13 ILE 91 HG13 ILE 91 -7.996 7.353 -0.651 652 HG21 ILE 91 HG21 ILE 91 -5.681 8.085 -3.750 653 HG22 ILE 91 HG22 ILE 91 -7.025 6.987 -4.057 654 HG23 ILE 91 HG23 ILE 91 -6.008 6.757 -2.635 655 HD11 ILE 91 HD11 ILE 91 -9.949 8.826 -2.395 656 HD12 ILE 91 HD12 ILE 91 -9.741 8.881 -0.646 657 HD13 ILE 91 HD13 ILE 91 -10.531 7.497 -1.395 658 H GLU 92 H GLU 92 -4.008 9.544 -1.621 659 HA GLU 92 HA GLU 92 -3.959 12.028 -3.118 660 HB2 GLU 92 HB2 GLU 92 -1.779 10.282 -1.987 661 HB3 GLU 92 HB3 GLU 92 -1.446 11.682 -3.008 662 HG2 GLU 92 HG2 GLU 92 -2.852 13.052 -1.404 663 HG3 GLU 92 HG3 GLU 92 -2.854 11.647 -0.331 664 H TYR 93 H TYR 93 -3.266 8.603 -3.626 665 HA TYR 93 HA TYR 93 -3.540 8.929 -6.487 666 HB2 TYR 93 HB2 TYR 93 -1.047 9.340 -5.813 667 HB3 TYR 93 HB3 TYR 93 -0.996 7.602 -5.555 668 HD1 TYR 93 HD1 TYR 93 0.915 8.188 -7.380 669 HD2 TYR 93 HD2 TYR 93 -3.305 8.142 -8.268 670 HE1 TYR 93 HE1 TYR 93 1.407 7.867 -9.785 671 HE2 TYR 93 HE2 TYR 93 -2.793 7.816 -10.664 672 HH TYR 93 HH TYR 93 0.264 8.303 -11.972 673 H ALA 94 H ALA 94 -4.446 7.172 -7.359 674 HA ALA 94 HA ALA 94 -4.156 4.547 -6.098 675 HB1 ALA 94 HB1 ALA 94 -6.615 4.159 -6.304 676 HB2 ALA 94 HB2 ALA 94 -6.815 5.873 -6.676 677 HB3 ALA 94 HB3 ALA 94 -6.197 5.377 -5.102 678 H MET 95 H MET 95 -4.113 2.912 -7.553 679 HA MET 95 HA MET 95 -5.136 3.192 -10.227 680 HB2 MET 95 HB2 MET 95 -2.971 2.969 -11.385 681 HB3 MET 95 HB3 MET 95 -3.070 4.477 -10.474 682 HG2 MET 95 HG2 MET 95 -1.831 3.360 -8.597 683 HG3 MET 95 HG3 MET 95 -1.645 1.943 -9.637 684 HE1 MET 95 HE1 MET 95 1.904 3.562 -9.491 685 HE2 MET 95 HE2 MET 95 0.977 2.080 -9.288 686 HE3 MET 95 HE3 MET 95 0.663 3.451 -8.232 687 H ALA 96 H ALA 96 -4.484 1.277 -11.601 688 HA ALA 96 HA ALA 96 -3.963 -1.150 -10.037 689 HB1 ALA 96 HB1 ALA 96 -6.504 -0.510 -10.342 690 HB2 ALA 96 HB2 ALA 96 -5.974 -2.182 -10.532 691 HB3 ALA 96 HB3 ALA 96 -6.251 -1.170 -11.950 692 H TYR 97 H TYR 97 -3.240 -2.936 -11.319 693 HA TYR 97 HA TYR 97 -2.374 -2.139 -14.052 694 HB2 TYR 97 HB2 TYR 97 -1.007 -3.924 -12.063 695 HB3 TYR 97 HB3 TYR 97 -0.467 -3.695 -13.723 696 HD1 TYR 97 HD1 TYR 97 -0.382 -2.371 -10.373 697 HD2 TYR 97 HD2 TYR 97 0.022 -1.297 -14.512 698 HE1 TYR 97 HE1 TYR 97 0.814 -0.298 -9.721 699 HE2 TYR 97 HE2 TYR 97 1.216 0.772 -13.860 700 HH TYR 97 HH TYR 97 1.378 2.253 -11.877 701 H SER 98 H SER 98 -3.551 -3.090 -15.556 702 HA SER 98 HA SER 98 -4.931 -5.578 -15.274 703 HB2 SER 98 HB2 SER 98 -4.170 -3.984 -17.727 704 HB3 SER 98 HB3 SER 98 -5.204 -5.414 -17.747 705 HG SER 98 HG SER 98 -5.754 -2.848 -17.030 706 H LYS 99 H LYS 99 -1.892 -4.604 -16.756 707 HA LYS 99 HA LYS 99 -0.895 -7.352 -16.660 708 HB2 LYS 99 HB2 LYS 99 -1.960 -7.148 -18.887 709 HB3 LYS 99 HB3 LYS 99 -0.992 -5.719 -19.223 710 HG2 LYS 99 HG2 LYS 99 0.109 -7.568 -20.307 711 HG3 LYS 99 HG3 LYS 99 1.076 -7.176 -18.883 712 HD2 LYS 99 HD2 LYS 99 0.048 -9.005 -17.634 713 HD3 LYS 99 HD3 LYS 99 -1.026 -9.362 -18.987 714 HE2 LYS 99 HE2 LYS 99 2.000 -9.486 -19.123 715 HE3 LYS 99 HE3 LYS 99 0.952 -10.887 -18.898 716 HZ1 LYS 99 HZ1 LYS 99 1.180 -10.890 -21.153 717 HZ2 LYS 99 HZ2 LYS 99 1.328 -9.202 -21.266 718 HZ3 LYS 99 HZ3 LYS 99 -0.196 -9.909 -21.019 719 H ALA 100 H ALA 100 1.247 -7.420 -16.224 720 HA ALA 100 HA ALA 100 2.636 -4.864 -15.845 721 HB1 ALA 100 HB1 ALA 100 2.592 -6.455 -13.962 722 HB2 ALA 100 HB2 ALA 100 4.237 -6.145 -14.514 723 HB3 ALA 100 HB3 ALA 100 3.426 -7.647 -14.958 724 H ALA 101 H ALA 101 4.058 -4.139 -17.252 725 HA ALA 101 HA ALA 101 5.315 -4.020 -19.186 726 HB1 ALA 101 HB1 ALA 101 7.150 -4.528 -17.884 727 HB2 ALA 101 HB2 ALA 101 7.221 -5.833 -19.067 728 HB3 ALA 101 HB3 ALA 101 6.545 -6.131 -17.465 729 H PHE 102 H PHE 102 3.849 -4.459 -20.818 730 HA PHE 102 HA PHE 102 2.958 -6.993 -21.607 731 HB2 PHE 102 HB2 PHE 102 1.961 -4.832 -22.381 732 HB3 PHE 102 HB3 PHE 102 3.390 -4.562 -23.378 733 HD1 PHE 102 HD1 PHE 102 0.438 -6.758 -22.864 734 HD2 PHE 102 HD2 PHE 102 3.699 -5.728 -25.465 735 HE1 PHE 102 HE1 PHE 102 -0.571 -8.127 -24.670 736 HE2 PHE 102 HE2 PHE 102 2.690 -7.095 -27.271 737 HZ PHE 102 HZ PHE 102 0.555 -8.294 -26.874 738 H GLU 103 H GLU 103 3.934 -8.631 -22.630 739 HA GLU 103 HA GLU 103 5.483 -9.899 -23.707 740 HB2 GLU 103 HB2 GLU 103 5.103 -8.164 -25.546 741 HB3 GLU 103 HB3 GLU 103 6.576 -7.374 -24.976 742 HG2 GLU 103 HG2 GLU 103 7.853 -9.444 -25.347 743 HG3 GLU 103 HG3 GLU 103 6.386 -10.266 -25.882 744 H ARG 104 H ARG 104 7.445 -6.929 -23.299 745 HA ARG 104 HA ARG 104 9.098 -8.329 -21.292 746 HB2 ARG 104 HB2 ARG 104 10.096 -6.780 -23.685 747 HB3 ARG 104 HB3 ARG 104 11.117 -7.363 -22.367 748 HG2 ARG 104 HG2 ARG 104 9.329 -9.234 -23.928 749 HG3 ARG 104 HG3 ARG 104 10.952 -8.843 -24.480 750 HD2 ARG 104 HD2 ARG 104 10.258 -10.005 -21.761 751 HD3 ARG 104 HD3 ARG 104 10.891 -10.926 -23.120 752 HE ARG 104 HE ARG 104 12.386 -9.120 -21.394 753 HH11 ARG 104 HH11 ARG 104 12.342 -10.780 -24.492 754 HH12 ARG 104 HH12 ARG 104 14.061 -10.714 -24.689 755 HH21 ARG 104 HH21 ARG 104 14.629 -9.071 -21.683 756 HH22 ARG 104 HH22 ARG 104 15.347 -9.752 -23.105 757 H GLU 105 H GLU 105 7.503 -5.481 -22.343 758 HA GLU 105 HA GLU 105 8.151 -4.038 -19.940 759 HB2 GLU 105 HB2 GLU 105 8.891 -2.011 -21.551 760 HB3 GLU 105 HB3 GLU 105 10.056 -3.084 -20.807 761 HG2 GLU 105 HG2 GLU 105 10.330 -4.317 -22.851 762 HG3 GLU 105 HG3 GLU 105 8.876 -3.619 -23.559 763 H SER 106 H SER 106 7.353 -1.665 -20.210 764 HA SER 106 HA SER 106 5.666 -0.229 -20.457 765 HB2 SER 106 HB2 SER 106 5.620 -0.100 -22.735 766 HB3 SER 106 HB3 SER 106 5.414 -1.832 -22.942 767 HG SER 106 HG SER 106 3.442 -1.085 -23.420 768 H ASP 107 H ASP 107 4.869 -0.885 -18.431 769 HA ASP 107 HA ASP 107 2.861 -2.895 -18.079 770 HB2 ASP 107 HB2 ASP 107 4.334 -2.063 -16.246 771 HB3 ASP 107 HB3 ASP 107 3.507 -0.509 -16.322 772 H VAL 108 H VAL 108 0.706 -2.801 -18.373 773 HA VAL 108 HA VAL 108 -0.439 -0.253 -19.297 774 HB VAL 108 HB VAL 108 -1.483 -3.095 -19.561 775 HG11 VAL 108 HG11 VAL 108 -3.290 -1.382 -19.546 776 HG12 VAL 108 HG12 VAL 108 -3.118 -2.130 -21.134 777 HG13 VAL 108 HG13 VAL 108 -2.467 -0.518 -20.843 778 HG21 VAL 108 HG21 VAL 108 0.628 -2.405 -20.871 779 HG22 VAL 108 HG22 VAL 108 -0.413 -1.291 -21.757 780 HG23 VAL 108 HG23 VAL 108 -0.717 -3.027 -21.828 781 HA PRO 109 HA PRO 109 -2.613 -0.437 -15.201 782 HB2 PRO 109 HB2 PRO 109 -3.100 2.150 -14.859 783 HB3 PRO 109 HB3 PRO 109 -1.442 1.517 -14.718 784 HG2 PRO 109 HG2 PRO 109 -2.730 2.923 -17.016 785 HG3 PRO 109 HG3 PRO 109 -1.123 3.176 -16.302 786 HD2 PRO 109 HD2 PRO 109 -1.554 1.662 -18.565 787 HD3 PRO 109 HD3 PRO 109 -0.180 1.415 -17.460 788 H LEU 110 H LEU 110 -4.833 -0.200 -14.561 789 HA LEU 110 HA LEU 110 -6.781 -0.271 -16.671 790 HB2 LEU 110 HB2 LEU 110 -6.998 -0.251 -13.662 791 HB3 LEU 110 HB3 LEU 110 -8.430 -0.153 -14.685 792 HG LEU 110 HG LEU 110 -6.369 -2.345 -15.031 793 HD11 LEU 110 HD11 LEU 110 -8.261 -3.713 -13.758 794 HD12 LEU 110 HD12 LEU 110 -8.655 -2.146 -13.062 795 HD13 LEU 110 HD13 LEU 110 -7.049 -2.834 -12.841 796 HD21 LEU 110 HD21 LEU 110 -9.335 -2.251 -15.693 797 HD22 LEU 110 HD22 LEU 110 -8.177 -3.465 -16.217 798 HD23 LEU 110 HD23 LEU 110 -8.083 -1.832 -16.859 799 H LYS 111 H LYS 111 -8.270 1.232 -17.290 800 HA LYS 111 HA LYS 111 -7.567 3.964 -17.079 801 HB2 LYS 111 HB2 LYS 111 -8.761 2.827 -18.994 802 HB3 LYS 111 HB3 LYS 111 -10.214 2.836 -17.992 803 HG2 LYS 111 HG2 LYS 111 -10.254 5.218 -17.897 804 HG3 LYS 111 HG3 LYS 111 -8.631 5.347 -18.586 805 HD2 LYS 111 HD2 LYS 111 -10.914 4.057 -20.104 806 HD3 LYS 111 HD3 LYS 111 -10.614 5.791 -20.175 807 HE2 LYS 111 HE2 LYS 111 -9.336 5.126 -21.978 808 HE3 LYS 111 HE3 LYS 111 -8.110 4.969 -20.727 809 HZ1 LYS 111 HZ1 LYS 111 -8.818 3.011 -22.410 810 HZ2 LYS 111 HZ2 LYS 111 -9.816 2.646 -21.084 811 HZ3 LYS 111 HZ3 LYS 111 -8.131 2.743 -20.885 812 H THR 112 H THR 112 -8.240 5.509 -15.716 813 HA THR 112 HA THR 112 -9.508 4.916 -13.264 814 HB THR 112 HB THR 112 -9.166 7.621 -14.618 815 HG1 THR 112 HG1 THR 112 -7.160 7.018 -14.292 816 HG21 THR 112 HG21 THR 112 -9.380 8.559 -12.384 817 HG22 THR 112 HG22 THR 112 -9.509 6.949 -11.678 818 HG23 THR 112 HG23 THR 112 -10.801 7.565 -12.707 819 H GLU 113 H GLU 113 -10.718 6.170 -16.312 820 HA GLU 113 HA GLU 113 -13.280 7.005 -15.547 821 HB2 GLU 113 HB2 GLU 113 -12.249 5.919 -18.159 822 HB3 GLU 113 HB3 GLU 113 -13.875 6.567 -17.938 823 HG2 GLU 113 HG2 GLU 113 -12.993 8.720 -17.265 824 HG3 GLU 113 HG3 GLU 113 -11.347 8.097 -17.267 825 H GLU 114 H GLU 114 -12.043 3.816 -15.750 826 HA GLU 114 HA GLU 114 -14.364 2.363 -16.446 827 HB2 GLU 114 HB2 GLU 114 -11.986 1.494 -16.314 828 HB3 GLU 114 HB3 GLU 114 -12.208 1.390 -14.568 829 HG2 GLU 114 HG2 GLU 114 -14.193 0.109 -16.458 830 HG3 GLU 114 HG3 GLU 114 -12.715 -0.726 -15.998 831 H PHE 115 H PHE 115 -13.218 3.662 -13.384 832 HA PHE 115 HA PHE 115 -15.844 3.212 -12.166 833 HB2 PHE 115 HB2 PHE 115 -14.985 2.030 -10.218 834 HB3 PHE 115 HB3 PHE 115 -14.583 1.127 -11.677 835 HD1 PHE 115 HD1 PHE 115 -13.272 2.880 -8.786 836 HD2 PHE 115 HD2 PHE 115 -12.213 1.308 -12.632 837 HE1 PHE 115 HE1 PHE 115 -10.869 2.994 -8.173 838 HE2 PHE 115 HE2 PHE 115 -9.819 1.411 -12.023 839 HZ PHE 115 HZ PHE 115 -9.142 2.256 -9.793 840 H GLU 116 H GLU 116 -16.129 4.337 -10.110 841 HA GLU 116 HA GLU 116 -14.262 6.609 -9.762 842 HB2 GLU 116 HB2 GLU 116 -16.367 7.361 -10.789 843 HB3 GLU 116 HB3 GLU 116 -17.283 6.627 -9.476 844 HG2 GLU 116 HG2 GLU 116 -17.030 9.052 -9.088 845 HG3 GLU 116 HG3 GLU 116 -16.180 8.134 -7.849 846 H VAL 117 H VAL 117 -13.417 6.869 -7.815 847 HA VAL 117 HA VAL 117 -14.761 5.708 -5.443 848 HB VAL 117 HB VAL 117 -12.554 5.086 -4.526 849 HG11 VAL 117 HG11 VAL 117 -12.108 3.201 -6.210 850 HG12 VAL 117 HG12 VAL 117 -13.392 3.920 -7.181 851 HG13 VAL 117 HG13 VAL 117 -13.747 3.313 -5.567 852 HG21 VAL 117 HG21 VAL 117 -11.459 5.632 -7.312 853 HG22 VAL 117 HG22 VAL 117 -10.548 5.153 -5.880 854 HG23 VAL 117 HG23 VAL 117 -11.265 6.760 -5.970 855 H THR 118 H THR 118 -14.705 6.921 -3.615 856 HA THR 118 HA THR 118 -13.123 9.382 -3.570 857 HB THR 118 HB THR 118 -16.085 9.448 -2.973 858 HG1 THR 118 HG1 THR 118 -15.879 9.142 -5.159 859 HG21 THR 118 HG21 THR 118 -15.604 11.933 -3.259 860 HG22 THR 118 HG22 THR 118 -13.894 11.509 -3.200 861 HG23 THR 118 HG23 THR 118 -14.933 11.177 -1.815 862 H LYS 119 H LYS 119 -12.967 10.338 -1.475 863 HA LYS 119 HA LYS 119 -12.405 8.518 0.572 864 HB2 LYS 119 HB2 LYS 119 -12.148 10.479 2.018 865 HB3 LYS 119 HB3 LYS 119 -11.407 10.768 0.442 866 HG2 LYS 119 HG2 LYS 119 -13.279 12.119 -0.281 867 HG3 LYS 119 HG3 LYS 119 -14.234 11.652 1.125 868 HD2 LYS 119 HD2 LYS 119 -13.425 13.813 1.661 869 HD3 LYS 119 HD3 LYS 119 -12.364 12.716 2.543 870 HE2 LYS 119 HE2 LYS 119 -10.980 14.364 1.456 871 HE3 LYS 119 HE3 LYS 119 -10.765 12.828 0.614 872 HZ1 LYS 119 HZ1 LYS 119 -11.994 13.531 -1.181 873 HZ2 LYS 119 HZ2 LYS 119 -11.199 14.968 -0.741 874 HZ3 LYS 119 HZ3 LYS 119 -12.822 14.721 -0.301 875 H THR 120 H THR 120 -15.432 9.940 -0.319 876 HA THR 120 HA THR 120 -16.641 8.953 2.190 877 HB THR 120 HB THR 120 -16.450 11.401 2.033 878 HG1 THR 120 HG1 THR 120 -19.020 10.195 2.001 879 HG21 THR 120 HG21 THR 120 -17.858 12.643 0.451 880 HG22 THR 120 HG22 THR 120 -18.404 11.130 -0.273 881 HG23 THR 120 HG23 THR 120 -16.715 11.616 -0.416 882 H ALA 121 H ALA 121 -16.812 8.832 -1.277 883 HA ALA 121 HA ALA 121 -19.121 7.022 -1.089 884 HB1 ALA 121 HB1 ALA 121 -19.080 9.500 -2.812 885 HB2 ALA 121 HB2 ALA 121 -20.221 9.111 -1.525 886 HB3 ALA 121 HB3 ALA 121 -20.228 8.175 -3.020 887 H VAL 122 H VAL 122 -19.344 5.550 -2.726 888 HA VAL 122 HA VAL 122 -17.215 5.473 -4.769 889 HB VAL 122 HB VAL 122 -18.100 3.140 -3.031 890 HG11 VAL 122 HG11 VAL 122 -17.543 2.593 -5.463 891 HG12 VAL 122 HG12 VAL 122 -16.558 1.780 -4.251 892 HG13 VAL 122 HG13 VAL 122 -15.910 3.167 -5.126 893 HG21 VAL 122 HG21 VAL 122 -15.538 4.735 -3.229 894 HG22 VAL 122 HG22 VAL 122 -15.663 3.191 -2.382 895 HG23 VAL 122 HG23 VAL 122 -16.594 4.583 -1.824 896 H ALA 123 H ALA 123 -17.884 4.984 -6.775 897 HA ALA 123 HA ALA 123 -20.293 3.455 -7.213 898 HB1 ALA 123 HB1 ALA 123 -20.960 5.932 -6.911 899 HB2 ALA 123 HB2 ALA 123 -21.582 5.074 -8.320 900 HB3 ALA 123 HB3 ALA 123 -20.216 6.177 -8.491 901 H HIS 124 H HIS 124 -20.453 2.612 -9.312 902 HA HIS 124 HA HIS 124 -17.963 2.431 -10.746 903 HB2 HIS 124 HB2 HIS 124 -19.161 0.818 -12.192 904 HB3 HIS 124 HB3 HIS 124 -19.324 0.413 -10.487 905 HD2 HIS 124 HD2 HIS 124 -21.579 1.313 -13.510 906 HE1 HIS 124 HE1 HIS 124 -24.082 1.170 -10.113 907 HE2 HIS 124 HE2 HIS 124 -24.043 1.319 -12.649 908 H ARG 125 H ARG 125 -17.861 2.657 -13.101 909 HA ARG 125 HA ARG 125 -19.410 4.991 -14.040 910 HB2 ARG 125 HB2 ARG 125 -16.588 4.138 -14.649 911 HB3 ARG 125 HB3 ARG 125 -17.434 5.387 -15.559 912 HG2 ARG 125 HG2 ARG 125 -17.868 6.581 -13.353 913 HG3 ARG 125 HG3 ARG 125 -16.769 5.425 -12.604 914 HD2 ARG 125 HD2 ARG 125 -14.939 6.134 -14.001 915 HD3 ARG 125 HD3 ARG 125 -16.003 7.164 -14.962 916 HE ARG 125 HE ARG 125 -14.885 7.760 -12.341 917 HH11 ARG 125 HH11 ARG 125 -17.413 8.544 -14.658 918 HH12 ARG 125 HH12 ARG 125 -17.682 10.131 -14.017 919 HH21 ARG 125 HH21 ARG 125 -15.267 9.862 -11.547 920 HH22 ARG 125 HH22 ARG 125 -16.477 10.864 -12.269 921 HA PRO 126 HA PRO 126 -21.094 2.580 -17.427 922 HB2 PRO 126 HB2 PRO 126 -20.335 4.840 -19.225 923 HB3 PRO 126 HB3 PRO 126 -21.917 4.061 -18.990 924 HG2 PRO 126 HG2 PRO 126 -21.476 6.448 -17.990 925 HG3 PRO 126 HG3 PRO 126 -22.352 5.231 -17.037 926 HD2 PRO 126 HD2 PRO 126 -19.495 6.123 -16.767 927 HD3 PRO 126 HD3 PRO 126 -20.693 5.761 -15.496 928 H GLY 127 H GLY 127 -20.305 1.135 -18.949 929 HA2 GLY 127 HA2 GLY 127 -18.828 0.180 -20.485 930 HA3 GLY 127 HA3 GLY 127 -17.777 1.583 -20.303 931 H ALA 128 H ALA 128 -18.725 0.210 -17.300 932 HA ALA 128 HA ALA 128 -16.234 -0.302 -16.309 933 HB1 ALA 128 HB1 ALA 128 -17.344 -1.832 -14.679 934 HB2 ALA 128 HB2 ALA 128 -18.814 -1.732 -15.648 935 HB3 ALA 128 HB3 ALA 128 -18.172 -0.286 -14.869 936 H PHE 129 H PHE 129 -14.870 -2.027 -16.123 937 HA PHE 129 HA PHE 129 -14.840 -3.873 -18.343 938 HB2 PHE 129 HB2 PHE 129 -12.934 -3.122 -16.156 939 HB3 PHE 129 HB3 PHE 129 -12.678 -4.641 -17.011 940 HD1 PHE 129 HD1 PHE 129 -13.554 -1.062 -17.874 941 HD2 PHE 129 HD2 PHE 129 -11.271 -4.559 -18.890 942 HE1 PHE 129 HE1 PHE 129 -12.519 0.163 -19.760 943 HE2 PHE 129 HE2 PHE 129 -10.241 -3.331 -20.780 944 HZ PHE 129 HZ PHE 129 -10.866 -0.972 -21.216 945 H LYS 130 H LYS 130 -14.794 -6.071 -18.326 946 HA LYS 130 HA LYS 130 -15.487 -7.462 -15.864 947 HB2 LYS 130 HB2 LYS 130 -17.127 -7.632 -18.397 948 HB3 LYS 130 HB3 LYS 130 -17.262 -8.762 -17.040 949 HG2 LYS 130 HG2 LYS 130 -17.799 -6.929 -15.532 950 HG3 LYS 130 HG3 LYS 130 -17.644 -5.771 -16.856 951 HD2 LYS 130 HD2 LYS 130 -19.489 -6.903 -18.052 952 HD3 LYS 130 HD3 LYS 130 -19.641 -8.056 -16.724 953 HE2 LYS 130 HE2 LYS 130 -20.174 -6.215 -15.176 954 HE3 LYS 130 HE3 LYS 130 -20.018 -5.055 -16.494 955 HZ1 LYS 130 HZ1 LYS 130 -21.919 -7.331 -16.524 956 HZ2 LYS 130 HZ2 LYS 130 -21.848 -6.033 -17.617 957 HZ3 LYS 130 HZ3 LYS 130 -22.336 -5.770 -16.010 958 H ALA 131 H ALA 131 -15.169 -9.778 -15.965 959 HA ALA 131 HA ALA 131 -13.778 -11.561 -16.380 960 HB1 ALA 131 HB1 ALA 131 -13.417 -11.401 -19.218 961 HB2 ALA 131 HB2 ALA 131 -15.061 -10.891 -18.851 962 HB3 ALA 131 HB3 ALA 131 -14.486 -12.463 -18.307 963 H GLU 132 H GLU 132 -12.672 -8.705 -16.158 964 HA GLU 132 HA GLU 132 -10.068 -9.081 -17.478 965 HB2 GLU 132 HB2 GLU 132 -11.636 -6.935 -17.625 966 HB3 GLU 132 HB3 GLU 132 -10.870 -6.521 -16.101 967 HG2 GLU 132 HG2 GLU 132 -9.408 -7.163 -18.693 968 HG3 GLU 132 HG3 GLU 132 -9.679 -5.542 -18.064 969 H LEU 133 H LEU 133 -8.358 -9.643 -16.273 970 HA LEU 133 HA LEU 133 -8.637 -9.703 -13.339 971 HB2 LEU 133 HB2 LEU 133 -6.394 -11.052 -14.876 972 HB3 LEU 133 HB3 LEU 133 -6.999 -11.408 -13.271 973 HG LEU 133 HG LEU 133 -9.237 -12.047 -14.475 974 HD11 LEU 133 HD11 LEU 133 -9.042 -11.405 -16.715 975 HD12 LEU 133 HD12 LEU 133 -8.515 -13.071 -16.848 976 HD13 LEU 133 HD13 LEU 133 -7.323 -11.774 -16.790 977 HD21 LEU 133 HD21 LEU 133 -8.527 -14.319 -14.604 978 HD22 LEU 133 HD22 LEU 133 -7.439 -13.591 -13.422 979 HD23 LEU 133 HD23 LEU 133 -6.889 -13.868 -15.075 980 H SER 134 H SER 134 -7.388 -8.474 -12.033 981 HA SER 134 HA SER 134 -4.906 -7.298 -12.943 982 HB2 SER 134 HB2 SER 134 -6.550 -5.796 -13.984 983 HB3 SER 134 HB3 SER 134 -7.298 -5.533 -12.416 984 HG SER 134 HG SER 134 -5.722 -4.227 -11.901 985 H LYS 135 H LYS 135 -4.037 -5.728 -11.297 986 HA LYS 135 HA LYS 135 -4.815 -6.544 -8.561 987 HB2 LYS 135 HB2 LYS 135 -2.474 -6.119 -7.878 988 HB3 LYS 135 HB3 LYS 135 -2.574 -7.412 -9.065 989 HG2 LYS 135 HG2 LYS 135 -1.980 -5.775 -10.853 990 HG3 LYS 135 HG3 LYS 135 -1.830 -4.518 -9.623 991 HD2 LYS 135 HD2 LYS 135 -0.063 -5.823 -8.496 992 HD3 LYS 135 HD3 LYS 135 -0.209 -7.079 -9.729 993 HE2 LYS 135 HE2 LYS 135 0.432 -5.460 -11.470 994 HE3 LYS 135 HE3 LYS 135 0.574 -4.195 -10.246 995 HZ1 LYS 135 HZ1 LYS 135 2.403 -5.222 -9.282 996 HZ2 LYS 135 HZ2 LYS 135 2.678 -5.436 -10.946 997 HZ3 LYS 135 HZ3 LYS 135 2.083 -6.721 -10.006 998 H LEU 136 H LEU 136 -4.739 -4.968 -6.942 999 HA LEU 136 HA LEU 136 -5.064 -2.213 -7.969 1000 HB2 LEU 136 HB2 LEU 136 -6.312 -3.646 -5.633 1001 HB3 LEU 136 HB3 LEU 136 -6.502 -1.914 -5.919 1002 HG LEU 136 HG LEU 136 -7.201 -3.984 -8.016 1003 HD11 LEU 136 HD11 LEU 136 -9.040 -2.714 -5.956 1004 HD12 LEU 136 HD12 LEU 136 -8.544 -4.407 -5.970 1005 HD13 LEU 136 HD13 LEU 136 -9.546 -3.770 -7.274 1006 HD21 LEU 136 HD21 LEU 136 -6.860 -1.429 -8.506 1007 HD22 LEU 136 HD22 LEU 136 -8.372 -1.207 -7.645 1008 HD23 LEU 136 HD23 LEU 136 -8.326 -2.196 -9.102 1009 H VAL 137 H VAL 137 -3.985 -0.553 -7.100 1010 HA VAL 137 HA VAL 137 -2.488 -0.947 -4.605 1011 HB VAL 137 HB VAL 137 -0.890 -1.365 -6.449 1012 HG11 VAL 137 HG11 VAL 137 -1.454 1.470 -7.341 1013 HG12 VAL 137 HG12 VAL 137 -2.058 0.024 -8.154 1014 HG13 VAL 137 HG13 VAL 137 -0.326 0.327 -8.069 1015 HG21 VAL 137 HG21 VAL 137 -0.067 -0.277 -4.396 1016 HG22 VAL 137 HG22 VAL 137 -0.455 1.306 -5.069 1017 HG23 VAL 137 HG23 VAL 137 0.810 0.319 -5.804 1018 H ILE 138 H ILE 138 -3.144 0.536 -3.243 1019 HA ILE 138 HA ILE 138 -3.945 3.203 -4.259 1020 HB ILE 138 HB ILE 138 -5.239 1.687 -1.960 1021 HG12 ILE 138 HG12 ILE 138 -7.253 1.815 -3.696 1022 HG13 ILE 138 HG13 ILE 138 -5.961 1.962 -4.893 1023 HG21 ILE 138 HG21 ILE 138 -5.268 4.190 -1.803 1024 HG22 ILE 138 HG22 ILE 138 -6.878 3.488 -1.958 1025 HG23 ILE 138 HG23 ILE 138 -6.108 4.241 -3.352 1026 HD11 ILE 138 HD11 ILE 138 -5.833 -0.245 -2.843 1027 HD12 ILE 138 HD12 ILE 138 -5.181 -0.201 -4.481 1028 HD13 ILE 138 HD13 ILE 138 -6.910 -0.408 -4.229 1029 H VAL 139 H VAL 139 -3.007 4.895 -3.355 1030 HA VAL 139 HA VAL 139 -1.643 4.588 -0.734 1031 HB VAL 139 HB VAL 139 -0.863 6.424 -3.040 1032 HG11 VAL 139 HG11 VAL 139 1.184 6.812 -1.583 1033 HG12 VAL 139 HG12 VAL 139 0.310 6.021 -0.273 1034 HG13 VAL 139 HG13 VAL 139 -0.313 7.514 -0.967 1035 HG21 VAL 139 HG21 VAL 139 -0.325 3.992 -3.378 1036 HG22 VAL 139 HG22 VAL 139 0.612 4.033 -1.884 1037 HG23 VAL 139 HG23 VAL 139 1.110 5.010 -3.266 1038 H ALA 140 H ALA 140 -2.676 5.686 0.808 1039 HA ALA 140 HA ALA 140 -4.191 8.115 0.079 1040 HB1 ALA 140 HB1 ALA 140 -5.972 7.494 1.419 1041 HB2 ALA 140 HB2 ALA 140 -4.989 6.407 2.401 1042 HB3 ALA 140 HB3 ALA 140 -5.465 5.934 0.769 1043 H LYS 141 H LYS 141 -3.977 9.879 1.275 1044 HA LYS 141 HA LYS 141 -2.042 9.826 3.495 1045 HB2 LYS 141 HB2 LYS 141 -1.561 11.208 1.411 1046 HB3 LYS 141 HB3 LYS 141 -2.945 12.201 1.874 1047 HG2 LYS 141 HG2 LYS 141 -1.911 12.651 4.056 1048 HG3 LYS 141 HG3 LYS 141 -0.526 11.666 3.591 1049 HD2 LYS 141 HD2 LYS 141 -0.063 13.172 1.701 1050 HD3 LYS 141 HD3 LYS 141 -1.439 14.177 2.160 1051 HE2 LYS 141 HE2 LYS 141 -0.389 14.616 4.340 1052 HE3 LYS 141 HE3 LYS 141 0.986 13.612 3.873 1053 HZ1 LYS 141 HZ1 LYS 141 0.155 15.865 2.168 1054 HZ2 LYS 141 HZ2 LYS 141 1.679 15.125 2.301 1055 HZ3 LYS 141 HZ3 LYS 141 1.117 16.152 3.533 1056 H ALA 142 H ALA 142 -2.697 10.550 5.493 1057 HA ALA 142 HA ALA 142 -5.435 10.725 6.124 1058 HB1 ALA 142 HB1 ALA 142 -3.067 11.758 7.698 1059 HB2 ALA 142 HB2 ALA 142 -3.717 10.123 7.778 1060 HB3 ALA 142 HB3 ALA 142 -4.690 11.489 8.329 1061 H SER 143 H SER 143 -6.779 12.263 5.461 1062 HA SER 143 HA SER 143 -6.022 14.855 4.609 1063 HB2 SER 143 HB2 SER 143 -8.071 13.790 3.817 1064 HB3 SER 143 HB3 SER 143 -8.728 13.805 5.448 1065 HG SER 143 HG SER 143 -7.941 16.075 3.923 1066 H ARG 144 H ARG 144 -7.493 13.677 7.611 1067 HA ARG 144 HA ARG 144 -6.340 15.839 9.133 1068 HB2 ARG 144 HB2 ARG 144 -8.484 16.732 9.976 1069 HB3 ARG 144 HB3 ARG 144 -8.325 16.974 8.234 1070 HG2 ARG 144 HG2 ARG 144 -9.716 14.951 7.841 1071 HG3 ARG 144 HG3 ARG 144 -9.903 14.751 9.584 1072 HD2 ARG 144 HD2 ARG 144 -10.987 16.954 9.731 1073 HD3 ARG 144 HD3 ARG 144 -10.781 17.180 7.997 1074 HE ARG 144 HE ARG 144 -12.178 14.759 8.439 1075 HH11 ARG 144 HH11 ARG 144 -12.690 18.223 8.743 1076 HH12 ARG 144 HH12 ARG 144 -14.402 18.114 8.509 1077 HH21 ARG 144 HH21 ARG 144 -14.419 14.663 8.138 1078 HH22 ARG 144 HH22 ARG 144 -15.372 16.109 8.169 1079 H THR 145 H THR 145 -6.713 15.614 11.451 1080 HA THR 145 HA THR 145 -7.411 12.842 12.220 1081 HB THR 145 HB THR 145 -5.772 13.051 14.062 1082 HG1 THR 145 HG1 THR 145 -5.712 15.250 14.324 1083 HG21 THR 145 HG21 THR 145 -5.018 12.004 12.016 1084 HG22 THR 145 HG22 THR 145 -3.723 13.042 12.614 1085 HG23 THR 145 HG23 THR 145 -4.731 13.575 11.268 1086 H GLU 146 H GLU 146 -8.855 15.635 12.253 1087 HA GLU 146 HA GLU 146 -9.440 16.329 14.913 1088 HB2 GLU 146 HB2 GLU 146 -9.933 17.547 12.781 1089 HB3 GLU 146 HB3 GLU 146 -11.302 16.471 12.565 1090 HG2 GLU 146 HG2 GLU 146 -12.115 18.496 13.684 1091 HG3 GLU 146 HG3 GLU 146 -12.195 17.137 14.799 1092 H LEU 147 H LEU 147 -11.112 14.248 12.625 1093 HA LEU 147 HA LEU 147 -12.809 12.718 12.878 1094 HB2 LEU 147 HB2 LEU 147 -10.926 11.911 15.111 1095 HB3 LEU 147 HB3 LEU 147 -12.107 10.858 14.332 1096 HG LEU 147 HG LEU 147 -9.906 12.296 12.804 1097 HD11 LEU 147 HD11 LEU 147 -9.016 10.664 14.513 1098 HD12 LEU 147 HD12 LEU 147 -8.658 10.195 12.851 1099 HD13 LEU 147 HD13 LEU 147 -9.959 9.395 13.732 1100 HD21 LEU 147 HD21 LEU 147 -11.743 9.953 12.128 1101 HD22 LEU 147 HD22 LEU 147 -10.438 10.529 11.090 1102 HD23 LEU 147 HD23 LEU 147 -11.819 11.571 11.430 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 20.444 8.880 16.571 2 H2 GLY 1 HT2 GLY 1 20.385 9.985 15.281 3 H3 GLY 1 HT3 GLY 1 21.090 8.454 15.062 4 HA2 GLY 1 HA2 GLY 1 18.917 8.474 14.056 5 HA3 GLY 1 HA3 GLY 1 18.920 7.408 15.462 6 H SER 2 H SER 2 16.844 9.230 14.062 7 HA SER 2 HA SER 2 15.957 10.732 16.453 8 HB2 SER 2 HB2 SER 2 15.253 11.144 13.539 9 HB3 SER 2 HB3 SER 2 14.599 12.072 14.883 10 HG SER 2 HG SER 2 17.245 11.944 13.892 11 H LYS 3 H LYS 3 14.359 9.826 17.559 12 HA LYS 3 HA LYS 3 12.609 8.451 18.132 13 HB2 LYS 3 HB2 LYS 3 11.806 10.118 15.837 14 HB3 LYS 3 HB3 LYS 3 10.836 8.651 15.962 15 HG2 LYS 3 HG2 LYS 3 9.702 10.323 17.264 16 HG3 LYS 3 HG3 LYS 3 10.484 9.248 18.426 17 HD2 LYS 3 HD2 LYS 3 12.352 10.821 18.667 18 HD3 LYS 3 HD3 LYS 3 11.635 11.886 17.455 19 HE2 LYS 3 HE2 LYS 3 9.647 12.183 18.895 20 HE3 LYS 3 HE3 LYS 3 10.374 11.131 20.109 21 HZ1 LYS 3 HZ1 LYS 3 10.649 13.679 20.305 22 HZ2 LYS 3 HZ2 LYS 3 11.856 13.475 19.125 23 HZ3 LYS 3 HZ3 LYS 3 11.980 12.677 20.620 24 H GLY 4 H GLY 4 10.935 6.769 16.979 25 HA2 GLY 4 HA2 GLY 4 12.147 5.070 14.987 26 HA3 GLY 4 HA3 GLY 4 12.196 4.381 16.608 27 H THR 5 H THR 5 10.750 3.343 14.332 28 HA THR 5 HA THR 5 8.002 3.461 15.414 29 HB THR 5 HB THR 5 8.734 3.319 12.467 30 HG1 THR 5 HG1 THR 5 7.676 5.407 12.521 31 HG21 THR 5 HG21 THR 5 6.123 3.217 13.984 32 HG22 THR 5 HG22 THR 5 6.685 2.174 12.677 33 HG23 THR 5 HG23 THR 5 6.185 3.829 12.330 34 H VAL 6 H VAL 6 7.102 1.540 15.836 35 HA VAL 6 HA VAL 6 8.573 -0.891 15.048 36 HB VAL 6 HB VAL 6 7.421 -1.994 16.948 37 HG11 VAL 6 HG11 VAL 6 9.626 -0.744 17.174 38 HG12 VAL 6 HG12 VAL 6 8.729 -0.985 18.673 39 HG13 VAL 6 HG13 VAL 6 8.701 0.585 17.870 40 HG21 VAL 6 HG21 VAL 6 6.060 -0.715 18.500 41 HG22 VAL 6 HG22 VAL 6 5.393 -0.471 16.884 42 HG23 VAL 6 HG23 VAL 6 6.387 0.783 17.627 43 H SER 7 H SER 7 6.953 0.286 13.103 44 HA SER 7 HA SER 7 4.671 -1.586 12.925 45 HB2 SER 7 HB2 SER 7 4.971 1.176 11.719 46 HB3 SER 7 HB3 SER 7 3.632 0.078 11.410 47 HG SER 7 HG SER 7 2.848 1.069 13.116 48 H GLU 8 H GLU 8 4.341 -2.664 11.003 49 HA GLU 8 HA GLU 8 6.278 -2.302 8.850 50 HB2 GLU 8 HB2 GLU 8 6.858 -4.723 8.831 51 HB3 GLU 8 HB3 GLU 8 7.332 -3.947 10.341 52 HG2 GLU 8 HG2 GLU 8 5.294 -4.809 11.433 53 HG3 GLU 8 HG3 GLU 8 4.800 -5.573 9.924 54 HA PRO 9 HA PRO 9 2.758 -3.338 6.229 55 HB2 PRO 9 HB2 PRO 9 3.845 -4.763 4.179 56 HB3 PRO 9 HB3 PRO 9 4.076 -3.010 4.357 57 HG2 PRO 9 HG2 PRO 9 5.905 -5.238 5.138 58 HG3 PRO 9 HG3 PRO 9 6.277 -3.722 4.294 59 HD2 PRO 9 HD2 PRO 9 6.776 -3.994 6.918 60 HD3 PRO 9 HD3 PRO 9 6.207 -2.448 6.251 61 H THR 10 H THR 10 1.338 -5.113 5.579 62 HA THR 10 HA THR 10 2.011 -7.709 6.819 63 HB THR 10 HB THR 10 0.487 -6.391 8.222 64 HG1 THR 10 HG1 THR 10 -1.027 -8.037 8.442 65 HG21 THR 10 HG21 THR 10 -1.639 -5.645 7.522 66 HG22 THR 10 HG22 THR 10 -1.597 -6.628 6.059 67 HG23 THR 10 HG23 THR 10 -0.565 -5.205 6.196 68 H THR 11 H THR 11 1.137 -9.558 5.912 69 HA THR 11 HA THR 11 0.028 -9.256 3.190 70 HB THR 11 HB THR 11 1.715 -11.537 4.282 71 HG1 THR 11 HG1 THR 11 2.890 -9.627 3.872 72 HG21 THR 11 HG21 THR 11 1.767 -12.238 1.872 73 HG22 THR 11 HG22 THR 11 0.555 -11.004 1.531 74 HG23 THR 11 HG23 THR 11 0.162 -12.352 2.597 75 H VAL 12 H VAL 12 -2.053 -9.814 3.046 76 HA VAL 12 HA VAL 12 -3.070 -11.987 4.771 77 HB VAL 12 HB VAL 12 -4.480 -9.356 4.197 78 HG11 VAL 12 HG11 VAL 12 -5.377 -11.852 5.666 79 HG12 VAL 12 HG12 VAL 12 -6.160 -11.079 4.289 80 HG13 VAL 12 HG13 VAL 12 -6.166 -10.286 5.864 81 HG21 VAL 12 HG21 VAL 12 -4.332 -9.128 6.704 82 HG22 VAL 12 HG22 VAL 12 -2.766 -9.084 5.895 83 HG23 VAL 12 HG23 VAL 12 -3.291 -10.551 6.720 84 H ALA 13 H ALA 13 -4.152 -13.537 3.729 85 HA ALA 13 HA ALA 13 -4.823 -13.132 0.888 86 HB1 ALA 13 HB1 ALA 13 -4.706 -15.493 0.623 87 HB2 ALA 13 HB2 ALA 13 -4.752 -15.766 2.365 88 HB3 ALA 13 HB3 ALA 13 -3.320 -15.054 1.620 89 H PHE 14 H PHE 14 -6.893 -13.745 0.063 90 HA PHE 14 HA PHE 14 -8.966 -14.416 2.010 91 HB2 PHE 14 HB2 PHE 14 -10.415 -12.550 1.420 92 HB3 PHE 14 HB3 PHE 14 -8.870 -11.927 1.986 93 HD1 PHE 14 HD1 PHE 14 -11.150 -12.219 -0.849 94 HD2 PHE 14 HD2 PHE 14 -7.204 -11.040 0.346 95 HE1 PHE 14 HE1 PHE 14 -10.877 -10.980 -2.977 96 HE2 PHE 14 HE2 PHE 14 -6.933 -9.799 -1.789 97 HZ PHE 14 HZ PHE 14 -8.770 -9.770 -3.447 98 H ASP 15 H ASP 15 -11.047 -14.972 0.993 99 HA ASP 15 HA ASP 15 -10.567 -16.357 -1.551 100 HB2 ASP 15 HB2 ASP 15 -12.797 -16.749 0.455 101 HB3 ASP 15 HB3 ASP 15 -12.453 -17.764 -0.945 102 H VAL 16 H VAL 16 -11.460 -15.680 -3.372 103 HA VAL 16 HA VAL 16 -13.638 -13.697 -3.314 104 HB VAL 16 HB VAL 16 -11.894 -14.686 -5.614 105 HG11 VAL 16 HG11 VAL 16 -14.087 -12.598 -5.484 106 HG12 VAL 16 HG12 VAL 16 -13.984 -13.992 -6.556 107 HG13 VAL 16 HG13 VAL 16 -12.886 -12.632 -6.775 108 HG21 VAL 16 HG21 VAL 16 -10.791 -12.528 -5.466 109 HG22 VAL 16 HG22 VAL 16 -10.761 -13.261 -3.861 110 HG23 VAL 16 HG23 VAL 16 -11.929 -11.991 -4.231 111 H ARG 17 H ARG 17 -15.531 -14.681 -3.100 112 HA ARG 17 HA ARG 17 -16.004 -17.215 -4.491 113 HB2 ARG 17 HB2 ARG 17 -17.435 -15.936 -2.161 114 HB3 ARG 17 HB3 ARG 17 -17.939 -17.445 -2.928 115 HG2 ARG 17 HG2 ARG 17 -15.823 -18.510 -2.387 116 HG3 ARG 17 HG3 ARG 17 -15.162 -16.985 -1.779 117 HD2 ARG 17 HD2 ARG 17 -15.880 -18.425 0.073 118 HD3 ARG 17 HD3 ARG 17 -16.839 -16.955 0.020 119 HE ARG 17 HE ARG 17 -17.739 -19.666 -0.791 120 HH11 ARG 17 HH11 ARG 17 -18.578 -16.301 -0.095 121 HH12 ARG 17 HH12 ARG 17 -20.271 -16.629 -0.035 122 HH21 ARG 17 HH21 ARG 17 -19.964 -20.019 -0.677 123 HH22 ARG 17 HH22 ARG 17 -21.050 -18.707 -0.362 124 HA PRO 18 HA PRO 18 -18.564 -14.644 -7.204 125 HB2 PRO 18 HB2 PRO 18 -19.003 -16.308 -9.184 126 HB3 PRO 18 HB3 PRO 18 -17.355 -15.742 -8.847 127 HG2 PRO 18 HG2 PRO 18 -18.613 -18.357 -8.133 128 HG3 PRO 18 HG3 PRO 18 -16.994 -18.034 -8.789 129 HD2 PRO 18 HD2 PRO 18 -17.540 -18.438 -6.098 130 HD3 PRO 18 HD3 PRO 18 -16.102 -17.574 -6.689 131 H GLY 19 H GLY 19 -20.736 -14.875 -8.374 132 HA2 GLY 19 HA2 GLY 19 -22.780 -16.486 -8.281 133 HA3 GLY 19 HA3 GLY 19 -22.669 -16.159 -6.554 134 H GLY 20 H GLY 20 -21.780 -13.460 -8.486 135 HA2 GLY 20 HA2 GLY 20 -22.823 -11.492 -9.063 136 HA3 GLY 20 HA3 GLY 20 -24.359 -12.354 -9.005 137 H VAL 21 H VAL 21 -22.219 -12.309 -6.240 138 HA VAL 21 HA VAL 21 -24.122 -10.555 -4.802 139 HB VAL 21 HB VAL 21 -22.357 -12.760 -3.684 140 HG11 VAL 21 HG11 VAL 21 -24.458 -11.024 -2.344 141 HG12 VAL 21 HG12 VAL 21 -22.721 -10.966 -2.049 142 HG13 VAL 21 HG13 VAL 21 -23.645 -12.396 -1.588 143 HG21 VAL 21 HG21 VAL 21 -25.380 -12.657 -3.995 144 HG22 VAL 21 HG22 VAL 21 -24.443 -14.002 -3.342 145 HG23 VAL 21 HG23 VAL 21 -24.298 -13.572 -5.046 146 H VAL 22 H VAL 22 -23.401 -8.725 -3.996 147 HA VAL 22 HA VAL 22 -20.686 -7.884 -4.444 148 HB VAL 22 HB VAL 22 -22.948 -6.521 -2.930 149 HG11 VAL 22 HG11 VAL 22 -20.411 -5.300 -4.068 150 HG12 VAL 22 HG12 VAL 22 -20.633 -5.700 -2.364 151 HG13 VAL 22 HG13 VAL 22 -21.653 -4.477 -3.121 152 HG21 VAL 22 HG21 VAL 22 -21.933 -6.107 -5.765 153 HG22 VAL 22 HG22 VAL 22 -23.258 -5.230 -5.000 154 HG23 VAL 22 HG23 VAL 22 -23.422 -6.952 -5.341 155 H HIS 23 H HIS 23 -19.051 -8.310 -3.199 156 HA HIS 23 HA HIS 23 -19.500 -8.906 -0.334 157 HB2 HIS 23 HB2 HIS 23 -17.338 -9.954 -2.171 158 HB3 HIS 23 HB3 HIS 23 -17.465 -10.283 -0.447 159 HD2 HIS 23 HD2 HIS 23 -18.647 -11.841 -3.694 160 HE1 HIS 23 HE1 HIS 23 -21.300 -13.281 -0.745 161 HE2 HIS 23 HE2 HIS 23 -20.509 -13.582 -3.141 162 H SER 24 H SER 24 -18.307 -7.923 1.164 163 HA SER 24 HA SER 24 -16.401 -5.848 0.253 164 HB2 SER 24 HB2 SER 24 -18.135 -5.910 2.729 165 HB3 SER 24 HB3 SER 24 -16.939 -4.671 2.359 166 HG SER 24 HG SER 24 -19.379 -5.279 1.087 167 H PHE 25 H PHE 25 -14.370 -6.076 0.807 168 HA PHE 25 HA PHE 25 -13.653 -7.608 3.223 169 HB2 PHE 25 HB2 PHE 25 -12.253 -7.792 0.537 170 HB3 PHE 25 HB3 PHE 25 -11.672 -8.512 2.039 171 HD1 PHE 25 HD1 PHE 25 -14.004 -8.824 -0.740 172 HD2 PHE 25 HD2 PHE 25 -13.023 -10.293 3.176 173 HE1 PHE 25 HE1 PHE 25 -15.422 -10.819 -1.131 174 HE2 PHE 25 HE2 PHE 25 -14.445 -12.288 2.784 175 HZ PHE 25 HZ PHE 25 -15.644 -12.550 0.630 176 H SER 26 H SER 26 -12.416 -6.438 4.548 177 HA SER 26 HA SER 26 -10.737 -4.320 3.401 178 HB2 SER 26 HB2 SER 26 -12.368 -3.699 5.843 179 HB3 SER 26 HB3 SER 26 -11.647 -2.607 4.692 180 HG SER 26 HG SER 26 -14.073 -3.844 4.656 181 H HIS 27 H HIS 27 -9.273 -3.338 5.093 182 HA HIS 27 HA HIS 27 -8.530 -5.192 7.241 183 HB2 HIS 27 HB2 HIS 27 -7.371 -5.947 5.141 184 HB3 HIS 27 HB3 HIS 27 -6.541 -4.390 5.108 185 HD2 HIS 27 HD2 HIS 27 -6.357 -7.786 7.025 186 HE1 HIS 27 HE1 HIS 27 -3.333 -5.273 8.570 187 HE2 HIS 27 HE2 HIS 27 -4.254 -7.642 8.567 188 H ASN 28 H ASN 28 -7.393 -4.284 8.887 189 HA ASN 28 HA ASN 28 -6.349 -1.577 8.700 190 HB2 ASN 28 HB2 ASN 28 -7.714 -0.759 10.592 191 HB3 ASN 28 HB3 ASN 28 -8.702 -1.149 9.183 192 HD21 ASN 28 HD21 ASN 28 -10.637 -1.960 10.043 193 HD22 ASN 28 HD22 ASN 28 -10.728 -3.185 11.213 194 H VAL 29 H VAL 29 -5.356 -0.913 10.816 195 HA VAL 29 HA VAL 29 -4.398 -3.246 12.365 196 HB VAL 29 HB VAL 29 -2.172 -2.147 12.507 197 HG11 VAL 29 HG11 VAL 29 -1.481 -2.694 10.192 198 HG12 VAL 29 HG12 VAL 29 -3.174 -2.697 9.696 199 HG13 VAL 29 HG13 VAL 29 -2.589 -3.903 10.841 200 HG21 VAL 29 HG21 VAL 29 -1.645 -0.150 11.407 201 HG22 VAL 29 HG22 VAL 29 -3.330 0.178 11.791 202 HG23 VAL 29 HG23 VAL 29 -2.892 -0.356 10.179 203 H GLY 30 H GLY 30 -3.658 -2.753 14.547 204 HA2 GLY 30 HA2 GLY 30 -5.529 -1.258 15.982 205 HA3 GLY 30 HA3 GLY 30 -4.002 -1.844 16.636 206 HA PRO 31 HA PRO 31 -2.107 2.273 16.547 207 HB2 PRO 31 HB2 PRO 31 -0.509 1.789 14.070 208 HB3 PRO 31 HB3 PRO 31 0.035 2.292 15.686 209 HG2 PRO 31 HG2 PRO 31 0.500 -0.153 14.859 210 HG3 PRO 31 HG3 PRO 31 -0.038 0.134 16.529 211 HD2 PRO 31 HD2 PRO 31 -1.660 -0.846 14.185 212 HD3 PRO 31 HD3 PRO 31 -1.658 -1.422 15.873 213 H GLY 32 H GLY 32 -2.686 1.182 13.248 214 HA2 GLY 32 HA2 GLY 32 -3.656 3.804 12.376 215 HA3 GLY 32 HA3 GLY 32 -3.318 2.420 11.336 216 H ASP 33 H ASP 33 -5.273 2.391 14.299 217 HA ASP 33 HA ASP 33 -7.352 0.864 13.211 218 HB2 ASP 33 HB2 ASP 33 -6.952 1.108 15.630 219 HB3 ASP 33 HB3 ASP 33 -7.503 2.783 15.547 220 H LYS 34 H LYS 34 -6.937 4.358 13.375 221 HA LYS 34 HA LYS 34 -9.568 5.038 12.476 222 HB2 LYS 34 HB2 LYS 34 -6.999 6.643 12.439 223 HB3 LYS 34 HB3 LYS 34 -8.605 7.295 12.112 224 HG2 LYS 34 HG2 LYS 34 -7.853 5.904 14.709 225 HG3 LYS 34 HG3 LYS 34 -7.800 7.653 14.489 226 HD2 LYS 34 HD2 LYS 34 -10.228 7.621 13.909 227 HD3 LYS 34 HD3 LYS 34 -10.262 5.887 14.239 228 HE2 LYS 34 HE2 LYS 34 -9.531 6.303 16.555 229 HE3 LYS 34 HE3 LYS 34 -9.500 8.036 16.236 230 HZ1 LYS 34 HZ1 LYS 34 -11.947 6.480 15.722 231 HZ2 LYS 34 HZ2 LYS 34 -11.779 8.138 16.063 232 HZ3 LYS 34 HZ3 LYS 34 -11.584 6.987 17.298 233 H TYR 35 H TYR 35 -6.721 3.930 10.858 234 HA TYR 35 HA TYR 35 -7.717 4.849 8.227 235 HB2 TYR 35 HB2 TYR 35 -5.009 3.741 9.024 236 HB3 TYR 35 HB3 TYR 35 -5.456 4.267 7.402 237 HD1 TYR 35 HD1 TYR 35 -4.529 5.329 10.773 238 HD2 TYR 35 HD2 TYR 35 -5.952 6.659 6.950 239 HE1 TYR 35 HE1 TYR 35 -3.960 7.664 11.378 240 HE2 TYR 35 HE2 TYR 35 -5.385 8.996 7.554 241 HH TYR 35 HH TYR 35 -4.622 9.938 10.737 242 H THR 36 H THR 36 -8.498 3.425 6.753 243 HA THR 36 HA THR 36 -7.817 0.595 6.926 244 HB THR 36 HB THR 36 -9.664 0.748 8.521 245 HG1 THR 36 HG1 THR 36 -10.370 -0.441 6.049 246 HG21 THR 36 HG21 THR 36 -11.324 1.755 6.191 247 HG22 THR 36 HG22 THR 36 -10.749 2.764 7.517 248 HG23 THR 36 HG23 THR 36 -11.890 1.457 7.834 249 H CYS 37 H CYS 37 -8.400 -0.655 5.113 250 HA CYS 37 HA CYS 37 -9.202 0.890 2.722 251 HB2 CYS 37 HB2 CYS 37 -7.300 -1.467 2.896 252 HB3 CYS 37 HB3 CYS 37 -7.876 -0.764 1.388 253 H MET 38 H MET 38 -11.110 0.352 1.955 254 HA MET 38 HA MET 38 -12.235 -2.286 2.508 255 HB2 MET 38 HB2 MET 38 -13.581 0.294 1.715 256 HB3 MET 38 HB3 MET 38 -14.407 -1.246 1.963 257 HG2 MET 38 HG2 MET 38 -13.569 -1.335 4.248 258 HG3 MET 38 HG3 MET 38 -12.760 0.208 4.039 259 HE1 MET 38 HE1 MET 38 -15.477 1.307 6.390 260 HE2 MET 38 HE2 MET 38 -13.860 0.638 6.188 261 HE3 MET 38 HE3 MET 38 -15.233 -0.448 6.381 262 H PHE 39 H PHE 39 -13.004 -3.556 0.957 263 HA PHE 39 HA PHE 39 -12.640 -2.694 -1.844 264 HB2 PHE 39 HB2 PHE 39 -11.741 -5.329 -0.651 265 HB3 PHE 39 HB3 PHE 39 -11.708 -4.925 -2.368 266 HD1 PHE 39 HD1 PHE 39 -10.227 -4.230 0.934 267 HD2 PHE 39 HD2 PHE 39 -10.134 -3.284 -3.250 268 HE1 PHE 39 HE1 PHE 39 -8.056 -3.069 1.248 269 HE2 PHE 39 HE2 PHE 39 -7.968 -2.135 -2.942 270 HZ PHE 39 HZ PHE 39 -6.924 -2.019 -0.693 271 H THR 40 H THR 40 -14.557 -2.695 -2.730 272 HA THR 40 HA THR 40 -16.456 -4.891 -2.113 273 HB THR 40 HB THR 40 -17.057 -2.085 -3.116 274 HG1 THR 40 HG1 THR 40 -17.287 -3.349 -0.591 275 HG21 THR 40 HG21 THR 40 -18.864 -4.385 -2.303 276 HG22 THR 40 HG22 THR 40 -18.723 -3.677 -3.911 277 HG23 THR 40 HG23 THR 40 -19.423 -2.737 -2.593 278 H TYR 41 H TYR 41 -17.016 -6.219 -3.750 279 HA TYR 41 HA TYR 41 -16.930 -5.326 -6.507 280 HB2 TYR 41 HB2 TYR 41 -15.344 -7.068 -7.270 281 HB3 TYR 41 HB3 TYR 41 -14.581 -5.883 -6.213 282 HD1 TYR 41 HD1 TYR 41 -15.936 -9.338 -6.392 283 HD2 TYR 41 HD2 TYR 41 -13.710 -6.503 -4.055 284 HE1 TYR 41 HE1 TYR 41 -15.227 -11.154 -4.861 285 HE2 TYR 41 HE2 TYR 41 -13.002 -8.320 -2.525 286 HH TYR 41 HH TYR 41 -14.439 -11.418 -2.567 287 H ALA 42 H ALA 42 -17.728 -6.895 -8.032 288 HA ALA 42 HA ALA 42 -19.327 -9.060 -6.777 289 HB1 ALA 42 HB1 ALA 42 -20.967 -8.621 -8.705 290 HB2 ALA 42 HB2 ALA 42 -20.135 -7.080 -8.899 291 HB3 ALA 42 HB3 ALA 42 -20.951 -7.454 -7.383 292 H SER 43 H SER 43 -19.170 -11.062 -7.709 293 HA SER 43 HA SER 43 -17.683 -11.263 -10.253 294 HB2 SER 43 HB2 SER 43 -17.267 -12.948 -7.787 295 HB3 SER 43 HB3 SER 43 -16.481 -13.179 -9.347 296 HG SER 43 HG SER 43 -15.163 -11.957 -7.970 297 H GLN 44 H GLN 44 -18.039 -13.078 -11.491 298 HA GLN 44 HA GLN 44 -20.346 -14.768 -10.779 299 HB2 GLN 44 HB2 GLN 44 -21.026 -12.992 -12.424 300 HB3 GLN 44 HB3 GLN 44 -19.840 -13.650 -13.551 301 HG2 GLN 44 HG2 GLN 44 -22.053 -14.574 -14.060 302 HG3 GLN 44 HG3 GLN 44 -21.000 -15.855 -13.454 303 HE21 GLN 44 HE21 GLN 44 -22.146 -17.196 -12.057 304 HE22 GLN 44 HE22 GLN 44 -23.323 -16.675 -10.949 305 H GLY 45 H GLY 45 -19.910 -16.869 -10.972 306 HA2 GLY 45 HA2 GLY 45 -18.489 -18.186 -12.948 307 HA3 GLY 45 HA3 GLY 45 -17.324 -17.799 -11.678 308 H GLY 46 H GLY 46 -17.478 -20.337 -11.922 309 HA2 GLY 46 HA2 GLY 46 -19.539 -21.344 -10.058 310 HA3 GLY 46 HA3 GLY 46 -18.738 -22.311 -11.290 311 H THR 47 H THR 47 -16.417 -20.311 -9.802 312 HA THR 47 HA THR 47 -15.921 -22.123 -7.568 313 HB THR 47 HB THR 47 -14.863 -23.274 -9.439 314 HG1 THR 47 HG1 THR 47 -13.036 -23.624 -8.362 315 HG21 THR 47 HG21 THR 47 -12.828 -22.151 -10.486 316 HG22 THR 47 HG22 THR 47 -13.431 -20.636 -9.811 317 HG23 THR 47 HG23 THR 47 -14.395 -21.522 -10.992 318 H ASN 48 H ASN 48 -14.501 -21.417 -6.020 319 HA ASN 48 HA ASN 48 -14.231 -18.583 -5.737 320 HB2 ASN 48 HB2 ASN 48 -14.782 -19.948 -3.816 321 HB3 ASN 48 HB3 ASN 48 -13.332 -20.914 -4.051 322 HD21 ASN 48 HD21 ASN 48 -11.478 -20.224 -2.932 323 HD22 ASN 48 HD22 ASN 48 -11.311 -18.707 -2.194 324 H GLU 49 H GLU 49 -12.161 -17.556 -5.192 325 HA GLU 49 HA GLU 49 -9.792 -18.808 -6.424 326 HB2 GLU 49 HB2 GLU 49 -10.868 -17.202 -8.016 327 HB3 GLU 49 HB3 GLU 49 -10.590 -15.923 -6.832 328 HG2 GLU 49 HG2 GLU 49 -8.787 -15.908 -8.484 329 HG3 GLU 49 HG3 GLU 49 -8.146 -16.404 -6.920 330 H GLN 50 H GLN 50 -7.822 -18.149 -5.586 331 HA GLN 50 HA GLN 50 -7.971 -16.919 -2.909 332 HB2 GLN 50 HB2 GLN 50 -5.888 -18.724 -4.157 333 HB3 GLN 50 HB3 GLN 50 -5.733 -17.987 -2.562 334 HG2 GLN 50 HG2 GLN 50 -7.792 -19.094 -1.824 335 HG3 GLN 50 HG3 GLN 50 -8.003 -19.802 -3.427 336 HE21 GLN 50 HE21 GLN 50 -7.683 -22.022 -2.903 337 HE22 GLN 50 HE22 GLN 50 -6.242 -22.623 -2.237 338 H TRP 51 H TRP 51 -7.233 -14.949 -2.616 339 HA TRP 51 HA TRP 51 -5.254 -13.816 -4.502 340 HB2 TRP 51 HB2 TRP 51 -7.677 -12.503 -3.276 341 HB3 TRP 51 HB3 TRP 51 -6.399 -11.613 -4.098 342 HD1 TRP 51 HD1 TRP 51 -8.888 -14.487 -4.822 343 HE1 TRP 51 HE1 TRP 51 -9.514 -14.384 -7.327 344 HE3 TRP 51 HE3 TRP 51 -5.862 -10.661 -6.343 345 HZ2 TRP 51 HZ2 TRP 51 -8.817 -12.886 -9.662 346 HZ3 TRP 51 HZ3 TRP 51 -5.863 -9.913 -8.709 347 HH2 TRP 51 HH2 TRP 51 -7.334 -11.017 -10.373 348 H GLN 52 H GLN 52 -3.673 -12.477 -3.662 349 HA GLN 52 HA GLN 52 -3.354 -12.542 -0.722 350 HB2 GLN 52 HB2 GLN 52 -1.282 -11.877 -2.840 351 HB3 GLN 52 HB3 GLN 52 -0.998 -12.010 -1.110 352 HG2 GLN 52 HG2 GLN 52 -1.777 -14.390 -1.212 353 HG3 GLN 52 HG3 GLN 52 -1.865 -14.238 -2.967 354 HE21 GLN 52 HE21 GLN 52 0.076 -14.495 -4.134 355 HE22 GLN 52 HE22 GLN 52 1.600 -14.658 -3.411 356 H MET 53 H MET 53 -2.818 -10.651 0.425 357 HA MET 53 HA MET 53 -3.254 -8.100 -1.008 358 HB2 MET 53 HB2 MET 53 -4.308 -8.764 1.763 359 HB3 MET 53 HB3 MET 53 -4.488 -7.232 0.904 360 HG2 MET 53 HG2 MET 53 -5.685 -8.514 -0.935 361 HG3 MET 53 HG3 MET 53 -5.656 -9.908 0.124 362 HE1 MET 53 HE1 MET 53 -6.820 -10.283 2.150 363 HE2 MET 53 HE2 MET 53 -7.882 -9.187 3.027 364 HE3 MET 53 HE3 MET 53 -6.146 -8.897 3.025 365 H SER 54 H SER 54 -2.019 -6.389 -0.300 366 HA SER 54 HA SER 54 -0.176 -6.832 1.933 367 HB2 SER 54 HB2 SER 54 1.102 -7.527 -0.013 368 HB3 SER 54 HB3 SER 54 0.683 -6.037 -0.853 369 HG SER 54 HG SER 54 2.325 -5.177 0.133 370 H LEU 55 H LEU 55 -0.173 -5.126 3.241 371 HA LEU 55 HA LEU 55 -0.491 -2.450 2.078 372 HB2 LEU 55 HB2 LEU 55 -2.213 -1.833 3.748 373 HB3 LEU 55 HB3 LEU 55 -2.760 -3.058 2.608 374 HG LEU 55 HG LEU 55 -1.787 -4.708 4.568 375 HD11 LEU 55 HD11 LEU 55 -2.786 -2.245 6.030 376 HD12 LEU 55 HD12 LEU 55 -1.136 -2.866 6.054 377 HD13 LEU 55 HD13 LEU 55 -2.442 -3.805 6.775 378 HD21 LEU 55 HD21 LEU 55 -4.008 -5.232 5.047 379 HD22 LEU 55 HD22 LEU 55 -4.191 -4.410 3.505 380 HD23 LEU 55 HD23 LEU 55 -4.548 -3.552 5.004 381 H GLY 56 H GLY 56 0.387 -0.802 3.262 382 HA2 GLY 56 HA2 GLY 56 1.605 -1.377 5.855 383 HA3 GLY 56 HA3 GLY 56 2.708 -1.022 4.526 384 H THR 57 H THR 57 2.681 0.542 6.748 385 HA THR 57 HA THR 57 1.546 3.084 5.756 386 HB THR 57 HB THR 57 1.113 3.758 8.077 387 HG1 THR 57 HG1 THR 57 1.303 1.999 9.661 388 HG21 THR 57 HG21 THR 57 -0.105 1.013 7.812 389 HG22 THR 57 HG22 THR 57 -0.559 2.299 6.700 390 HG23 THR 57 HG23 THR 57 -0.841 2.488 8.431 391 H SER 58 H SER 58 2.769 4.981 6.379 392 HA SER 58 HA SER 58 5.604 4.589 6.243 393 HB2 SER 58 HB2 SER 58 5.746 6.989 6.265 394 HB3 SER 58 HB3 SER 58 4.335 6.547 5.300 395 HG SER 58 HG SER 58 3.116 6.830 7.273 396 H GLU 59 H GLU 59 7.141 5.515 7.830 397 HA GLU 59 HA GLU 59 6.783 4.421 10.401 398 HB2 GLU 59 HB2 GLU 59 8.873 5.594 11.001 399 HB3 GLU 59 HB3 GLU 59 9.012 4.784 9.443 400 HG2 GLU 59 HG2 GLU 59 8.533 6.936 8.297 401 HG3 GLU 59 HG3 GLU 59 8.442 7.739 9.865 402 H ASP 60 H ASP 60 6.009 7.582 9.146 403 HA ASP 60 HA ASP 60 5.289 8.536 11.842 404 HB2 ASP 60 HB2 ASP 60 6.745 9.917 10.212 405 HB3 ASP 60 HB3 ASP 60 5.230 10.228 9.357 406 H HIS 61 H HIS 61 3.817 6.781 9.529 407 HA HIS 61 HA HIS 61 1.672 6.377 8.888 408 HB2 HIS 61 HB2 HIS 61 1.120 7.949 11.417 409 HB3 HIS 61 HB3 HIS 61 -0.120 7.085 10.500 410 HD2 HIS 61 HD2 HIS 61 3.333 6.075 12.249 411 HE1 HIS 61 HE1 HIS 61 0.717 2.759 12.296 412 HE2 HIS 61 HE2 HIS 61 2.993 3.608 13.036 413 H GLN 62 H GLN 62 3.076 8.766 7.895 414 HA GLN 62 HA GLN 62 1.059 10.787 7.445 415 HB2 GLN 62 HB2 GLN 62 2.787 11.853 6.014 416 HB3 GLN 62 HB3 GLN 62 3.378 11.507 7.641 417 HG2 GLN 62 HG2 GLN 62 4.527 9.523 6.862 418 HG3 GLN 62 HG3 GLN 62 3.827 9.690 5.256 419 HE21 GLN 62 HE21 GLN 62 6.686 10.126 6.807 420 HE22 GLN 62 HE22 GLN 62 7.302 11.452 5.945 421 H HIS 63 H HIS 63 2.300 7.961 5.785 422 HA HIS 63 HA HIS 63 0.341 8.418 3.625 423 HB2 HIS 63 HB2 HIS 63 3.148 7.343 3.295 424 HB3 HIS 63 HB3 HIS 63 1.907 7.304 2.042 425 HD2 HIS 63 HD2 HIS 63 4.653 9.652 3.169 426 HE1 HIS 63 HE1 HIS 63 1.859 12.068 1.131 427 HE2 HIS 63 HE2 HIS 63 4.210 11.986 2.091 428 H PHE 64 H PHE 64 -0.793 6.704 2.915 429 HA PHE 64 HA PHE 64 -0.338 4.071 4.203 430 HB2 PHE 64 HB2 PHE 64 -2.979 5.496 3.792 431 HB3 PHE 64 HB3 PHE 64 -2.813 3.823 4.332 432 HD1 PHE 64 HD1 PHE 64 -1.972 7.340 5.174 433 HD2 PHE 64 HD2 PHE 64 -2.294 3.312 6.610 434 HE1 PHE 64 HE1 PHE 64 -1.649 8.136 7.489 435 HE2 PHE 64 HE2 PHE 64 -1.972 4.116 8.934 436 HZ PHE 64 HZ PHE 64 -1.652 6.531 9.374 437 H THR 65 H THR 65 -0.571 2.296 2.893 438 HA THR 65 HA THR 65 -1.751 2.669 0.230 439 HB THR 65 HB THR 65 0.625 3.060 -0.116 440 HG1 THR 65 HG1 THR 65 0.566 1.890 -1.852 441 HG21 THR 65 HG21 THR 65 1.437 1.774 1.862 442 HG22 THR 65 HG22 THR 65 2.300 1.362 0.380 443 HG23 THR 65 HG23 THR 65 1.058 0.278 1.008 444 H CYS 66 H CYS 66 -2.810 0.980 -0.587 445 HA CYS 66 HA CYS 66 -2.572 -1.643 0.736 446 HB2 CYS 66 HB2 CYS 66 -5.171 -0.272 -0.019 447 HB3 CYS 66 HB3 CYS 66 -5.017 -1.946 0.532 448 H THR 67 H THR 67 -2.385 -3.335 -0.660 449 HA THR 67 HA THR 67 -3.091 -2.905 -3.508 450 HB THR 67 HB THR 67 -0.504 -4.120 -2.529 451 HG1 THR 67 HG1 THR 67 -1.176 -1.588 -3.591 452 HG21 THR 67 HG21 THR 67 0.139 -4.235 -4.844 453 HG22 THR 67 HG22 THR 67 -1.278 -3.313 -5.344 454 HG23 THR 67 HG23 THR 67 -1.466 -4.957 -4.735 455 H ILE 68 H ILE 68 -4.050 -4.599 -4.512 456 HA ILE 68 HA ILE 68 -3.986 -7.253 -3.187 457 HB ILE 68 HB ILE 68 -6.447 -6.022 -4.475 458 HG12 ILE 68 HG12 ILE 68 -5.922 -6.603 -1.524 459 HG13 ILE 68 HG13 ILE 68 -5.750 -5.013 -2.255 460 HG21 ILE 68 HG21 ILE 68 -6.614 -8.385 -4.743 461 HG22 ILE 68 HG22 ILE 68 -7.495 -8.085 -3.246 462 HG23 ILE 68 HG23 ILE 68 -5.848 -8.707 -3.188 463 HD11 ILE 68 HD11 ILE 68 -8.279 -6.666 -2.056 464 HD12 ILE 68 HD12 ILE 68 -8.146 -5.209 -3.038 465 HD13 ILE 68 HD13 ILE 68 -7.954 -5.116 -1.288 466 H TRP 69 H TRP 69 -3.443 -8.894 -4.481 467 HA TRP 69 HA TRP 69 -4.185 -8.960 -7.288 468 HB2 TRP 69 HB2 TRP 69 -1.943 -9.242 -8.204 469 HB3 TRP 69 HB3 TRP 69 -1.995 -7.714 -7.334 470 HD1 TRP 69 HD1 TRP 69 -0.230 -11.011 -7.454 471 HE1 TRP 69 HE1 TRP 69 1.512 -11.156 -5.560 472 HE3 TRP 69 HE3 TRP 69 -1.571 -6.927 -4.733 473 HZ2 TRP 69 HZ2 TRP 69 2.233 -9.735 -3.200 474 HZ3 TRP 69 HZ3 TRP 69 -0.341 -6.342 -2.648 475 HH2 TRP 69 HH2 TRP 69 1.558 -7.753 -1.887 476 H ARG 70 H ARG 70 -3.663 -11.115 -8.272 477 HA ARG 70 HA ARG 70 -4.137 -13.193 -6.293 478 HB2 ARG 70 HB2 ARG 70 -4.583 -14.658 -8.203 479 HB3 ARG 70 HB3 ARG 70 -5.464 -13.146 -8.382 480 HG2 ARG 70 HG2 ARG 70 -3.497 -12.320 -9.787 481 HG3 ARG 70 HG3 ARG 70 -2.939 -14.003 -9.732 482 HD2 ARG 70 HD2 ARG 70 -4.769 -14.779 -10.954 483 HD3 ARG 70 HD3 ARG 70 -5.737 -13.342 -10.628 484 HE ARG 70 HE ARG 70 -3.883 -13.708 -12.783 485 HH11 ARG 70 HH11 ARG 70 -5.201 -11.262 -10.629 486 HH12 ARG 70 HH12 ARG 70 -4.903 -9.958 -11.730 487 HH21 ARG 70 HH21 ARG 70 -3.494 -11.970 -14.180 488 HH22 ARG 70 HH22 ARG 70 -3.944 -10.360 -13.726 489 HA PRO 71 HA PRO 71 0.019 -14.777 -6.048 490 HB2 PRO 71 HB2 PRO 71 -0.338 -17.382 -5.536 491 HB3 PRO 71 HB3 PRO 71 -0.864 -16.131 -4.388 492 HG2 PRO 71 HG2 PRO 71 -2.497 -17.548 -6.458 493 HG3 PRO 71 HG3 PRO 71 -2.841 -17.340 -4.716 494 HD2 PRO 71 HD2 PRO 71 -3.949 -15.783 -6.582 495 HD3 PRO 71 HD3 PRO 71 -3.458 -15.122 -5.004 496 H GLN 72 H GLN 72 -2.090 -16.761 -8.129 497 HA GLN 72 HA GLN 72 -0.037 -18.204 -9.422 498 HB2 GLN 72 HB2 GLN 72 -2.914 -17.684 -10.135 499 HB3 GLN 72 HB3 GLN 72 -1.864 -18.727 -11.106 500 HG2 GLN 72 HG2 GLN 72 -1.413 -20.114 -9.106 501 HG3 GLN 72 HG3 GLN 72 -2.483 -19.080 -8.155 502 HE21 GLN 72 HE21 GLN 72 -4.147 -20.623 -7.734 503 HE22 GLN 72 HE22 GLN 72 -5.082 -21.334 -8.959 504 H GLY 73 H GLY 73 -1.662 -15.245 -10.227 505 HA2 GLY 73 HA2 GLY 73 -0.670 -13.498 -11.548 506 HA3 GLY 73 HA3 GLY 73 0.292 -14.724 -12.377 507 H LYS 74 H LYS 74 -2.409 -16.370 -12.366 508 HA LYS 74 HA LYS 74 -3.902 -14.903 -14.414 509 HB2 LYS 74 HB2 LYS 74 -4.014 -17.005 -15.819 510 HB3 LYS 74 HB3 LYS 74 -2.446 -16.201 -15.809 511 HG2 LYS 74 HG2 LYS 74 -1.676 -17.814 -14.042 512 HG3 LYS 74 HG3 LYS 74 -3.221 -18.655 -14.174 513 HD2 LYS 74 HD2 LYS 74 -1.410 -18.226 -16.560 514 HD3 LYS 74 HD3 LYS 74 -1.284 -19.645 -15.522 515 HE2 LYS 74 HE2 LYS 74 -3.707 -20.115 -15.953 516 HE3 LYS 74 HE3 LYS 74 -3.722 -18.774 -17.103 517 HZ1 LYS 74 HZ1 LYS 74 -1.807 -19.951 -18.218 518 HZ2 LYS 74 HZ2 LYS 74 -3.330 -20.694 -18.362 519 HZ3 LYS 74 HZ3 LYS 74 -2.185 -21.299 -17.262 520 H SER 75 H SER 75 -5.967 -14.902 -13.828 521 HA SER 75 HA SER 75 -7.084 -17.293 -12.479 522 HB2 SER 75 HB2 SER 75 -7.780 -14.382 -12.050 523 HB3 SER 75 HB3 SER 75 -8.767 -15.714 -11.458 524 HG SER 75 HG SER 75 -7.111 -14.824 -9.995 525 H TYR 76 H TYR 76 -9.076 -18.075 -13.173 526 HA TYR 76 HA TYR 76 -10.187 -16.776 -15.598 527 HB2 TYR 76 HB2 TYR 76 -9.878 -19.696 -14.899 528 HB3 TYR 76 HB3 TYR 76 -11.083 -19.162 -16.074 529 HD1 TYR 76 HD1 TYR 76 -7.444 -19.294 -15.318 530 HD2 TYR 76 HD2 TYR 76 -10.445 -18.377 -18.254 531 HE1 TYR 76 HE1 TYR 76 -5.692 -19.168 -17.075 532 HE2 TYR 76 HE2 TYR 76 -8.699 -18.251 -20.005 533 HH TYR 76 HH TYR 76 -6.415 -18.048 -20.330 534 H LEU 77 H LEU 77 -11.567 -15.481 -14.419 535 HA LEU 77 HA LEU 77 -14.044 -16.802 -13.625 536 HB2 LEU 77 HB2 LEU 77 -12.490 -14.916 -11.853 537 HB3 LEU 77 HB3 LEU 77 -14.238 -15.102 -11.693 538 HG LEU 77 HG LEU 77 -12.351 -17.481 -11.636 539 HD11 LEU 77 HD11 LEU 77 -12.715 -17.363 -9.132 540 HD12 LEU 77 HD12 LEU 77 -13.364 -15.742 -9.372 541 HD13 LEU 77 HD13 LEU 77 -11.685 -16.088 -9.782 542 HD21 LEU 77 HD21 LEU 77 -15.223 -16.996 -10.776 543 HD22 LEU 77 HD22 LEU 77 -14.327 -18.467 -10.404 544 HD23 LEU 77 HD23 LEU 77 -14.675 -18.050 -12.080 545 H TYR 78 H TYR 78 -15.915 -15.503 -13.871 546 HA TYR 78 HA TYR 78 -15.505 -13.233 -15.698 547 HB2 TYR 78 HB2 TYR 78 -17.036 -15.133 -16.336 548 HB3 TYR 78 HB3 TYR 78 -18.100 -14.635 -15.018 549 HD1 TYR 78 HD1 TYR 78 -16.551 -13.548 -18.218 550 HD2 TYR 78 HD2 TYR 78 -19.520 -12.709 -15.230 551 HE1 TYR 78 HE1 TYR 78 -17.546 -11.822 -19.693 552 HE2 TYR 78 HE2 TYR 78 -20.517 -10.982 -16.705 553 HH TYR 78 HH TYR 78 -20.603 -10.344 -18.994 554 H PHE 79 H PHE 79 -14.953 -11.634 -14.278 555 HA PHE 79 HA PHE 79 -16.411 -11.139 -11.863 556 HB2 PHE 79 HB2 PHE 79 -14.309 -9.539 -13.321 557 HB3 PHE 79 HB3 PHE 79 -14.984 -9.087 -11.752 558 HD1 PHE 79 HD1 PHE 79 -12.701 -11.323 -13.522 559 HD2 PHE 79 HD2 PHE 79 -14.680 -10.589 -9.781 560 HE1 PHE 79 HE1 PHE 79 -11.116 -12.855 -12.383 561 HE2 PHE 79 HE2 PHE 79 -13.098 -12.126 -8.643 562 HZ PHE 79 HZ PHE 79 -11.315 -13.257 -9.945 563 H THR 80 H THR 80 -17.998 -9.667 -11.455 564 HA THR 80 HA THR 80 -19.446 -8.595 -13.698 565 HB THR 80 HB THR 80 -19.883 -8.171 -10.738 566 HG1 THR 80 HG1 THR 80 -20.129 -10.301 -11.106 567 HG21 THR 80 HG21 THR 80 -21.709 -7.776 -13.128 568 HG22 THR 80 HG22 THR 80 -21.054 -6.503 -12.099 569 HG23 THR 80 HG23 THR 80 -22.215 -7.656 -11.442 570 H GLN 81 H GLN 81 -17.455 -7.277 -11.072 571 HA GLN 81 HA GLN 81 -16.553 -4.987 -12.483 572 HB2 GLN 81 HB2 GLN 81 -17.833 -3.246 -11.223 573 HB3 GLN 81 HB3 GLN 81 -18.832 -4.170 -12.349 574 HG2 GLN 81 HG2 GLN 81 -20.162 -4.226 -10.394 575 HG3 GLN 81 HG3 GLN 81 -19.269 -5.712 -10.226 576 HE21 GLN 81 HE21 GLN 81 -19.616 -5.494 -7.847 577 HE22 GLN 81 HE22 GLN 81 -18.614 -4.447 -6.961 578 H PHE 82 H PHE 82 -15.526 -3.349 -10.929 579 HA PHE 82 HA PHE 82 -14.772 -4.624 -8.360 580 HB2 PHE 82 HB2 PHE 82 -12.817 -3.310 -10.239 581 HB3 PHE 82 HB3 PHE 82 -12.472 -4.015 -8.658 582 HD1 PHE 82 HD1 PHE 82 -12.689 -4.676 -12.175 583 HD2 PHE 82 HD2 PHE 82 -13.056 -6.516 -8.308 584 HE1 PHE 82 HE1 PHE 82 -12.353 -6.902 -13.202 585 HE2 PHE 82 HE2 PHE 82 -12.722 -8.742 -9.346 586 HZ PHE 82 HZ PHE 82 -12.359 -8.921 -11.800 587 H LYS 83 H LYS 83 -14.339 -3.240 -6.623 588 HA LYS 83 HA LYS 83 -14.174 -0.360 -7.110 589 HB2 LYS 83 HB2 LYS 83 -16.246 -1.515 -5.214 590 HB3 LYS 83 HB3 LYS 83 -15.893 0.189 -5.478 591 HG2 LYS 83 HG2 LYS 83 -16.511 -0.036 -7.843 592 HG3 LYS 83 HG3 LYS 83 -16.849 -1.735 -7.572 593 HD2 LYS 83 HD2 LYS 83 -18.577 -1.181 -5.927 594 HD3 LYS 83 HD3 LYS 83 -18.288 0.539 -6.203 595 HE2 LYS 83 HE2 LYS 83 -18.846 0.259 -8.564 596 HE3 LYS 83 HE3 LYS 83 -19.151 -1.457 -8.301 597 HZ1 LYS 83 HZ1 LYS 83 -20.982 -0.993 -6.929 598 HZ2 LYS 83 HZ2 LYS 83 -21.160 0.062 -8.246 599 HZ3 LYS 83 HZ3 LYS 83 -20.573 0.642 -6.761 600 H ALA 84 H ALA 84 -13.069 0.761 -5.523 601 HA ALA 84 HA ALA 84 -12.269 -0.619 -3.054 602 HB1 ALA 84 HB1 ALA 84 -9.927 -0.273 -3.380 603 HB2 ALA 84 HB2 ALA 84 -10.201 0.647 -4.860 604 HB3 ALA 84 HB3 ALA 84 -10.522 -1.086 -4.826 605 H GLU 85 H GLU 85 -12.002 0.739 -1.334 606 HA GLU 85 HA GLU 85 -11.650 3.592 -1.776 607 HB2 GLU 85 HB2 GLU 85 -13.691 4.234 -0.537 608 HB3 GLU 85 HB3 GLU 85 -14.078 3.358 -2.017 609 HG2 GLU 85 HG2 GLU 85 -14.366 1.262 -0.722 610 HG3 GLU 85 HG3 GLU 85 -13.979 2.128 0.765 611 H VAL 86 H VAL 86 -11.253 4.774 0.234 612 HA VAL 86 HA VAL 86 -10.520 3.016 2.490 613 HB VAL 86 HB VAL 86 -8.522 4.308 2.882 614 HG11 VAL 86 HG11 VAL 86 -8.421 3.367 -0.005 615 HG12 VAL 86 HG12 VAL 86 -8.629 2.226 1.312 616 HG13 VAL 86 HG13 VAL 86 -7.176 3.214 1.231 617 HG21 VAL 86 HG21 VAL 86 -8.852 5.556 0.137 618 HG22 VAL 86 HG22 VAL 86 -7.716 6.007 1.408 619 HG23 VAL 86 HG23 VAL 86 -9.430 6.374 1.590 620 H ARG 87 H ARG 87 -10.168 4.161 4.527 621 HA ARG 87 HA ARG 87 -11.759 6.640 4.746 622 HB2 ARG 87 HB2 ARG 87 -12.096 4.107 6.313 623 HB3 ARG 87 HB3 ARG 87 -12.792 5.655 6.805 624 HG2 ARG 87 HG2 ARG 87 -14.171 5.792 4.878 625 HG3 ARG 87 HG3 ARG 87 -13.281 4.525 4.035 626 HD2 ARG 87 HD2 ARG 87 -13.972 2.924 5.654 627 HD3 ARG 87 HD3 ARG 87 -14.910 4.134 6.540 628 HE ARG 87 HE ARG 87 -15.621 2.912 3.964 629 HH11 ARG 87 HH11 ARG 87 -16.302 5.470 6.275 630 HH12 ARG 87 HH12 ARG 87 -17.887 5.776 5.648 631 HH21 ARG 87 HH21 ARG 87 -17.689 3.348 3.178 632 HH22 ARG 87 HH22 ARG 87 -18.665 4.582 3.904 633 H GLY 88 H GLY 88 -11.451 7.856 6.581 634 HA2 GLY 88 HA2 GLY 88 -10.310 8.721 8.421 635 HA3 GLY 88 HA3 GLY 88 -9.308 7.275 8.438 636 H ALA 89 H ALA 89 -9.246 8.405 5.303 637 HA ALA 89 HA ALA 89 -7.152 10.402 5.660 638 HB1 ALA 89 HB1 ALA 89 -6.197 8.380 3.789 639 HB2 ALA 89 HB2 ALA 89 -6.453 7.700 5.392 640 HB3 ALA 89 HB3 ALA 89 -5.394 9.087 5.188 641 H GLU 90 H GLU 90 -6.287 11.060 3.413 642 HA GLU 90 HA GLU 90 -8.591 11.329 1.576 643 HB2 GLU 90 HB2 GLU 90 -7.407 13.320 0.687 644 HB3 GLU 90 HB3 GLU 90 -7.733 13.471 2.412 645 HG2 GLU 90 HG2 GLU 90 -5.419 12.736 2.907 646 HG3 GLU 90 HG3 GLU 90 -5.092 12.628 1.175 647 H ILE 91 H ILE 91 -8.215 11.314 -0.659 648 HA ILE 91 HA ILE 91 -6.570 9.037 -1.376 649 HB ILE 91 HB ILE 91 -8.449 10.649 -3.120 650 HG12 ILE 91 HG12 ILE 91 -9.653 9.852 -1.080 651 HG13 ILE 91 HG13 ILE 91 -10.249 9.039 -2.511 652 HG21 ILE 91 HG21 ILE 91 -7.376 7.826 -3.367 653 HG22 ILE 91 HG22 ILE 91 -7.014 9.196 -4.415 654 HG23 ILE 91 HG23 ILE 91 -8.636 8.507 -4.396 655 HD11 ILE 91 HD11 ILE 91 -8.507 7.947 -0.293 656 HD12 ILE 91 HD12 ILE 91 -8.547 7.153 -1.868 657 HD13 ILE 91 HD13 ILE 91 -10.025 7.305 -0.921 658 H GLU 92 H GLU 92 -4.602 9.164 -2.155 659 HA GLU 92 HA GLU 92 -3.608 11.631 -3.384 660 HB2 GLU 92 HB2 GLU 92 -2.228 9.009 -2.763 661 HB3 GLU 92 HB3 GLU 92 -1.442 10.434 -3.446 662 HG2 GLU 92 HG2 GLU 92 -2.096 11.738 -1.450 663 HG3 GLU 92 HG3 GLU 92 -2.841 10.290 -0.767 664 H TYR 93 H TYR 93 -4.159 8.218 -4.150 665 HA TYR 93 HA TYR 93 -4.943 8.663 -6.814 666 HB2 TYR 93 HB2 TYR 93 -2.062 8.510 -6.396 667 HB3 TYR 93 HB3 TYR 93 -2.583 7.149 -7.379 668 HD1 TYR 93 HD1 TYR 93 -1.714 10.616 -7.414 669 HD2 TYR 93 HD2 TYR 93 -4.179 7.700 -9.380 670 HE1 TYR 93 HE1 TYR 93 -1.877 12.094 -9.399 671 HE2 TYR 93 HE2 TYR 93 -4.342 9.179 -11.367 672 HH TYR 93 HH TYR 93 -2.356 11.557 -12.053 673 H ALA 94 H ALA 94 -5.812 6.840 -7.722 674 HA ALA 94 HA ALA 94 -5.340 4.226 -6.497 675 HB1 ALA 94 HB1 ALA 94 -8.198 5.034 -6.863 676 HB2 ALA 94 HB2 ALA 94 -7.348 5.552 -5.407 677 HB3 ALA 94 HB3 ALA 94 -7.502 3.833 -5.774 678 H MET 95 H MET 95 -5.443 2.601 -7.950 679 HA MET 95 HA MET 95 -7.022 2.700 -10.329 680 HB2 MET 95 HB2 MET 95 -5.190 2.760 -11.974 681 HB3 MET 95 HB3 MET 95 -5.277 4.260 -11.048 682 HG2 MET 95 HG2 MET 95 -3.463 3.426 -9.562 683 HG3 MET 95 HG3 MET 95 -3.362 1.959 -10.544 684 HE1 MET 95 HE1 MET 95 -3.021 5.577 -10.118 685 HE2 MET 95 HE2 MET 95 -3.797 5.883 -11.667 686 HE3 MET 95 HE3 MET 95 -2.080 6.215 -11.474 687 H ALA 96 H ALA 96 -6.514 0.858 -11.818 688 HA ALA 96 HA ALA 96 -5.513 -1.491 -10.314 689 HB1 ALA 96 HB1 ALA 96 -7.567 -1.637 -12.513 690 HB2 ALA 96 HB2 ALA 96 -8.043 -1.332 -10.844 691 HB3 ALA 96 HB3 ALA 96 -7.204 -2.826 -11.263 692 H TYR 97 H TYR 97 -4.134 -2.907 -11.418 693 HA TYR 97 HA TYR 97 -3.235 -1.947 -14.087 694 HB2 TYR 97 HB2 TYR 97 -1.767 -3.513 -11.981 695 HB3 TYR 97 HB3 TYR 97 -1.127 -3.210 -13.590 696 HD1 TYR 97 HD1 TYR 97 -0.982 -2.074 -10.306 697 HD2 TYR 97 HD2 TYR 97 -1.419 -0.547 -14.303 698 HE1 TYR 97 HE1 TYR 97 -0.129 0.128 -9.564 699 HE2 TYR 97 HE2 TYR 97 -0.568 1.657 -13.548 700 HH TYR 97 HH TYR 97 1.136 2.196 -11.016 701 H SER 98 H SER 98 -4.214 -3.067 -15.636 702 HA SER 98 HA SER 98 -5.170 -5.735 -15.420 703 HB2 SER 98 HB2 SER 98 -4.529 -4.037 -17.839 704 HB3 SER 98 HB3 SER 98 -5.325 -5.609 -17.913 705 HG SER 98 HG SER 98 -7.061 -4.778 -16.888 706 H LYS 99 H LYS 99 -2.200 -4.320 -16.691 707 HA LYS 99 HA LYS 99 -0.995 -7.011 -16.777 708 HB2 LYS 99 HB2 LYS 99 -1.313 -6.407 -19.077 709 HB3 LYS 99 HB3 LYS 99 -0.724 -4.773 -18.806 710 HG2 LYS 99 HG2 LYS 99 1.530 -5.521 -18.505 711 HG3 LYS 99 HG3 LYS 99 1.059 -7.210 -18.384 712 HD2 LYS 99 HD2 LYS 99 0.575 -5.535 -20.868 713 HD3 LYS 99 HD3 LYS 99 2.056 -6.461 -20.627 714 HE2 LYS 99 HE2 LYS 99 0.653 -8.519 -20.322 715 HE3 LYS 99 HE3 LYS 99 -0.767 -7.563 -20.741 716 HZ1 LYS 99 HZ1 LYS 99 0.553 -6.944 -22.816 717 HZ2 LYS 99 HZ2 LYS 99 -0.114 -8.505 -22.739 718 HZ3 LYS 99 HZ3 LYS 99 1.542 -8.268 -22.437 719 H ALA 100 H ALA 100 0.855 -7.264 -15.780 720 HA ALA 100 HA ALA 100 2.061 -5.007 -14.371 721 HB1 ALA 100 HB1 ALA 100 3.121 -7.809 -14.247 722 HB2 ALA 100 HB2 ALA 100 1.611 -7.424 -13.422 723 HB3 ALA 100 HB3 ALA 100 3.093 -6.569 -12.993 724 H ALA 101 H ALA 101 3.719 -3.959 -15.187 725 HA ALA 101 HA ALA 101 4.784 -4.234 -17.688 726 HB1 ALA 101 HB1 ALA 101 5.456 -2.231 -16.864 727 HB2 ALA 101 HB2 ALA 101 6.908 -3.105 -16.387 728 HB3 ALA 101 HB3 ALA 101 5.611 -2.844 -15.221 729 H PHE 102 H PHE 102 6.207 -5.484 -18.686 730 HA PHE 102 HA PHE 102 7.384 -7.749 -17.368 731 HB2 PHE 102 HB2 PHE 102 6.603 -7.822 -19.737 732 HB3 PHE 102 HB3 PHE 102 7.863 -6.666 -20.169 733 HD1 PHE 102 HD1 PHE 102 7.245 -10.086 -18.831 734 HD2 PHE 102 HD2 PHE 102 10.132 -7.367 -20.480 735 HE1 PHE 102 HE1 PHE 102 8.865 -11.947 -19.064 736 HE2 PHE 102 HE2 PHE 102 11.751 -9.228 -20.715 737 HZ PHE 102 HZ PHE 102 11.118 -11.518 -20.007 738 H GLU 103 H GLU 103 9.343 -7.880 -16.456 739 HA GLU 103 HA GLU 103 11.404 -7.330 -15.682 740 HB2 GLU 103 HB2 GLU 103 11.991 -7.403 -18.122 741 HB3 GLU 103 HB3 GLU 103 11.692 -5.666 -18.212 742 HG2 GLU 103 HG2 GLU 103 13.433 -5.272 -16.507 743 HG3 GLU 103 HG3 GLU 103 13.720 -7.006 -16.388 744 H ARG 104 H ARG 104 10.871 -4.163 -17.307 745 HA ARG 104 HA ARG 104 10.402 -2.895 -14.678 746 HB2 ARG 104 HB2 ARG 104 12.416 -2.029 -16.733 747 HB3 ARG 104 HB3 ARG 104 11.944 -1.077 -15.325 748 HG2 ARG 104 HG2 ARG 104 12.954 -3.914 -15.011 749 HG3 ARG 104 HG3 ARG 104 14.063 -2.559 -15.177 750 HD2 ARG 104 HD2 ARG 104 11.863 -2.674 -13.099 751 HD3 ARG 104 HD3 ARG 104 13.512 -3.181 -12.796 752 HE ARG 104 HE ARG 104 14.244 -0.901 -13.139 753 HH11 ARG 104 HH11 ARG 104 10.723 -1.220 -13.003 754 HH12 ARG 104 HH12 ARG 104 10.492 0.444 -12.608 755 HH21 ARG 104 HH21 ARG 104 13.855 1.250 -12.599 756 HH22 ARG 104 HH22 ARG 104 12.236 1.826 -12.383 757 H GLU 105 H GLU 105 9.475 -3.232 -17.885 758 HA GLU 105 HA GLU 105 7.918 -0.717 -17.782 759 HB2 GLU 105 HB2 GLU 105 9.403 -1.679 -20.229 760 HB3 GLU 105 HB3 GLU 105 8.596 -0.128 -20.003 761 HG2 GLU 105 HG2 GLU 105 10.754 0.568 -19.490 762 HG3 GLU 105 HG3 GLU 105 10.354 -0.013 -17.904 763 H SER 106 H SER 106 6.419 -0.553 -19.703 764 HA SER 106 HA SER 106 4.655 -1.262 -20.929 765 HB2 SER 106 HB2 SER 106 5.980 -2.949 -21.993 766 HB3 SER 106 HB3 SER 106 5.890 -3.992 -20.580 767 HG SER 106 HG SER 106 4.347 -4.197 -22.543 768 H ASP 107 H ASP 107 4.247 -0.635 -18.333 769 HA ASP 107 HA ASP 107 2.399 -2.600 -17.186 770 HB2 ASP 107 HB2 ASP 107 3.936 -1.347 -15.696 771 HB3 ASP 107 HB3 ASP 107 3.177 0.158 -16.212 772 H VAL 108 H VAL 108 0.344 -2.629 -17.980 773 HA VAL 108 HA VAL 108 -0.729 -0.176 -19.188 774 HB VAL 108 HB VAL 108 -1.798 -3.020 -19.252 775 HG11 VAL 108 HG11 VAL 108 -3.584 -1.359 -19.567 776 HG12 VAL 108 HG12 VAL 108 -3.233 -2.161 -21.099 777 HG13 VAL 108 HG13 VAL 108 -2.623 -0.534 -20.795 778 HG21 VAL 108 HG21 VAL 108 -0.308 -1.392 -21.346 779 HG22 VAL 108 HG22 VAL 108 -0.980 -3.003 -21.597 780 HG23 VAL 108 HG23 VAL 108 0.346 -2.769 -20.458 781 HA PRO 109 HA PRO 109 -3.227 0.032 -15.296 782 HB2 PRO 109 HB2 PRO 109 -3.577 2.649 -15.145 783 HB3 PRO 109 HB3 PRO 109 -1.966 1.948 -14.867 784 HG2 PRO 109 HG2 PRO 109 -3.038 3.287 -17.308 785 HG3 PRO 109 HG3 PRO 109 -1.454 3.470 -16.526 786 HD2 PRO 109 HD2 PRO 109 -1.930 1.842 -18.725 787 HD3 PRO 109 HD3 PRO 109 -0.575 1.633 -17.589 788 H LEU 110 H LEU 110 -5.439 0.076 -14.991 789 HA LEU 110 HA LEU 110 -7.164 0.420 -17.294 790 HB2 LEU 110 HB2 LEU 110 -7.708 -0.363 -14.426 791 HB3 LEU 110 HB3 LEU 110 -9.004 -0.117 -15.601 792 HG LEU 110 HG LEU 110 -6.674 -1.983 -16.111 793 HD11 LEU 110 HD11 LEU 110 -8.451 -3.788 -15.563 794 HD12 LEU 110 HD12 LEU 110 -9.313 -2.500 -14.723 795 HD13 LEU 110 HD13 LEU 110 -7.691 -2.959 -14.206 796 HD21 LEU 110 HD21 LEU 110 -7.785 -2.587 -18.054 797 HD22 LEU 110 HD22 LEU 110 -8.511 -0.996 -17.920 798 HD23 LEU 110 HD23 LEU 110 -9.388 -2.404 -17.353 799 H LYS 111 H LYS 111 -8.817 1.925 -17.527 800 HA LYS 111 HA LYS 111 -8.110 4.542 -16.734 801 HB2 LYS 111 HB2 LYS 111 -9.989 5.291 -18.036 802 HB3 LYS 111 HB3 LYS 111 -9.252 3.934 -18.885 803 HG2 LYS 111 HG2 LYS 111 -11.012 2.422 -17.880 804 HG3 LYS 111 HG3 LYS 111 -11.758 3.847 -17.167 805 HD2 LYS 111 HD2 LYS 111 -12.067 4.836 -19.407 806 HD3 LYS 111 HD3 LYS 111 -11.330 3.413 -20.136 807 HE2 LYS 111 HE2 LYS 111 -13.105 1.991 -19.191 808 HE3 LYS 111 HE3 LYS 111 -13.852 3.407 -18.454 809 HZ1 LYS 111 HZ1 LYS 111 -15.014 3.239 -20.406 810 HZ2 LYS 111 HZ2 LYS 111 -13.684 2.659 -21.289 811 HZ3 LYS 111 HZ3 LYS 111 -13.781 4.303 -20.874 812 H THR 112 H THR 112 -9.165 6.065 -15.483 813 HA THR 112 HA THR 112 -10.259 5.219 -12.995 814 HB THR 112 HB THR 112 -10.324 7.967 -14.304 815 HG1 THR 112 HG1 THR 112 -8.486 6.647 -12.604 816 HG21 THR 112 HG21 THR 112 -11.921 7.668 -12.396 817 HG22 THR 112 HG22 THR 112 -10.636 8.822 -12.041 818 HG23 THR 112 HG23 THR 112 -10.561 7.190 -11.379 819 H GLU 113 H GLU 113 -11.629 6.376 -16.027 820 HA GLU 113 HA GLU 113 -14.272 6.844 -15.360 821 HB2 GLU 113 HB2 GLU 113 -13.110 7.275 -17.546 822 HB3 GLU 113 HB3 GLU 113 -13.322 5.560 -17.904 823 HG2 GLU 113 HG2 GLU 113 -15.742 5.775 -17.701 824 HG3 GLU 113 HG3 GLU 113 -15.582 7.478 -17.257 825 H GLU 114 H GLU 114 -12.606 3.825 -15.333 826 HA GLU 114 HA GLU 114 -14.673 2.017 -15.985 827 HB2 GLU 114 HB2 GLU 114 -12.281 1.380 -15.808 828 HB3 GLU 114 HB3 GLU 114 -12.348 1.649 -14.066 829 HG2 GLU 114 HG2 GLU 114 -14.059 -0.108 -13.836 830 HG3 GLU 114 HG3 GLU 114 -14.055 -0.368 -15.576 831 H PHE 115 H PHE 115 -13.740 3.576 -12.973 832 HA PHE 115 HA PHE 115 -16.359 3.034 -11.795 833 HB2 PHE 115 HB2 PHE 115 -15.460 1.966 -9.761 834 HB3 PHE 115 HB3 PHE 115 -15.154 0.993 -11.201 835 HD1 PHE 115 HD1 PHE 115 -13.644 3.085 -8.594 836 HD2 PHE 115 HD2 PHE 115 -12.886 0.791 -12.135 837 HE1 PHE 115 HE1 PHE 115 -11.209 3.133 -8.100 838 HE2 PHE 115 HE2 PHE 115 -10.453 0.832 -11.649 839 HZ PHE 115 HZ PHE 115 -9.614 2.004 -9.629 840 H GLU 116 H GLU 116 -16.678 4.109 -9.705 841 HA GLU 116 HA GLU 116 -15.116 6.618 -9.573 842 HB2 GLU 116 HB2 GLU 116 -17.438 6.885 -10.331 843 HB3 GLU 116 HB3 GLU 116 -18.021 6.116 -8.854 844 HG2 GLU 116 HG2 GLU 116 -18.171 8.556 -8.613 845 HG3 GLU 116 HG3 GLU 116 -16.936 7.937 -7.520 846 H VAL 117 H VAL 117 -14.065 7.095 -7.757 847 HA VAL 117 HA VAL 117 -14.848 5.791 -5.211 848 HB VAL 117 HB VAL 117 -11.998 6.271 -6.179 849 HG11 VAL 117 HG11 VAL 117 -12.226 6.555 -3.739 850 HG12 VAL 117 HG12 VAL 117 -11.343 5.075 -4.111 851 HG13 VAL 117 HG13 VAL 117 -13.037 4.992 -3.626 852 HG21 VAL 117 HG21 VAL 117 -13.217 4.353 -7.245 853 HG22 VAL 117 HG22 VAL 117 -13.444 3.657 -5.642 854 HG23 VAL 117 HG23 VAL 117 -11.817 3.852 -6.299 855 H THR 118 H THR 118 -15.167 7.182 -3.590 856 HA THR 118 HA THR 118 -13.926 9.848 -3.676 857 HB THR 118 HB THR 118 -16.005 10.915 -2.949 858 HG1 THR 118 HG1 THR 118 -17.872 9.769 -2.850 859 HG21 THR 118 HG21 THR 118 -15.583 10.939 -5.317 860 HG22 THR 118 HG22 THR 118 -17.301 10.624 -5.078 861 HG23 THR 118 HG23 THR 118 -16.212 9.301 -5.498 862 H LYS 119 H LYS 119 -14.067 10.977 -1.615 863 HA LYS 119 HA LYS 119 -12.903 9.490 0.438 864 HB2 LYS 119 HB2 LYS 119 -13.192 11.501 1.819 865 HB3 LYS 119 HB3 LYS 119 -12.617 11.913 0.202 866 HG2 LYS 119 HG2 LYS 119 -14.879 12.512 -0.496 867 HG3 LYS 119 HG3 LYS 119 -15.534 12.019 1.058 868 HD2 LYS 119 HD2 LYS 119 -13.333 14.015 1.332 869 HD3 LYS 119 HD3 LYS 119 -14.681 14.609 0.374 870 HE2 LYS 119 HE2 LYS 119 -15.249 15.205 2.585 871 HE3 LYS 119 HE3 LYS 119 -16.190 13.744 2.285 872 HZ1 LYS 119 HZ1 LYS 119 -13.623 13.953 3.757 873 HZ2 LYS 119 HZ2 LYS 119 -14.340 12.477 3.314 874 HZ3 LYS 119 HZ3 LYS 119 -15.136 13.524 4.390 875 H THR 120 H THR 120 -16.276 9.932 -0.297 876 HA THR 120 HA THR 120 -16.960 8.329 2.061 877 HB THR 120 HB THR 120 -17.198 10.628 2.820 878 HG1 THR 120 HG1 THR 120 -18.686 9.289 3.700 879 HG21 THR 120 HG21 THR 120 -19.225 10.935 0.582 880 HG22 THR 120 HG22 THR 120 -17.614 11.654 0.592 881 HG23 THR 120 HG23 THR 120 -18.809 12.151 1.790 882 H ALA 121 H ALA 121 -17.047 8.101 -1.018 883 HA ALA 121 HA ALA 121 -19.544 6.645 -1.073 884 HB1 ALA 121 HB1 ALA 121 -19.624 9.302 -1.960 885 HB2 ALA 121 HB2 ALA 121 -20.835 8.054 -2.242 886 HB3 ALA 121 HB3 ALA 121 -19.573 8.337 -3.438 887 H VAL 122 H VAL 122 -19.742 5.219 -2.836 888 HA VAL 122 HA VAL 122 -17.540 5.022 -4.733 889 HB VAL 122 HB VAL 122 -16.778 3.749 -2.756 890 HG11 VAL 122 HG11 VAL 122 -18.980 3.128 -1.849 891 HG12 VAL 122 HG12 VAL 122 -17.964 1.703 -2.062 892 HG13 VAL 122 HG13 VAL 122 -19.248 2.049 -3.219 893 HG21 VAL 122 HG21 VAL 122 -16.522 1.490 -3.970 894 HG22 VAL 122 HG22 VAL 122 -15.934 2.922 -4.816 895 HG23 VAL 122 HG23 VAL 122 -17.485 2.215 -5.262 896 H ALA 123 H ALA 123 -18.242 4.325 -6.701 897 HA ALA 123 HA ALA 123 -20.612 2.658 -6.961 898 HB1 ALA 123 HB1 ALA 123 -21.934 4.204 -8.218 899 HB2 ALA 123 HB2 ALA 123 -20.638 5.399 -8.221 900 HB3 ALA 123 HB3 ALA 123 -21.472 5.009 -6.718 901 H HIS 124 H HIS 124 -20.957 1.857 -9.080 902 HA HIS 124 HA HIS 124 -18.541 1.568 -10.635 903 HB2 HIS 124 HB2 HIS 124 -19.870 0.008 -12.020 904 HB3 HIS 124 HB3 HIS 124 -19.984 -0.400 -10.313 905 HD2 HIS 124 HD2 HIS 124 -22.312 0.583 -13.243 906 HE1 HIS 124 HE1 HIS 124 -24.679 0.648 -9.749 907 HE2 HIS 124 HE2 HIS 124 -24.735 0.750 -12.285 908 H ARG 125 H ARG 125 -18.422 1.944 -12.913 909 HA ARG 125 HA ARG 125 -20.045 4.248 -13.816 910 HB2 ARG 125 HB2 ARG 125 -17.196 3.500 -14.476 911 HB3 ARG 125 HB3 ARG 125 -18.071 4.841 -15.212 912 HG2 ARG 125 HG2 ARG 125 -17.760 4.611 -12.207 913 HG3 ARG 125 HG3 ARG 125 -16.546 5.412 -13.208 914 HD2 ARG 125 HD2 ARG 125 -19.490 6.152 -13.187 915 HD3 ARG 125 HD3 ARG 125 -18.248 6.988 -12.258 916 HE ARG 125 HE ARG 125 -17.347 6.967 -14.886 917 HH11 ARG 125 HH11 ARG 125 -20.145 8.241 -13.183 918 HH12 ARG 125 HH12 ARG 125 -20.360 9.565 -14.279 919 HH21 ARG 125 HH21 ARG 125 -17.663 8.709 -16.289 920 HH22 ARG 125 HH22 ARG 125 -18.961 9.827 -16.024 921 HA PRO 126 HA PRO 126 -21.521 1.825 -17.326 922 HB2 PRO 126 HB2 PRO 126 -20.875 4.198 -19.022 923 HB3 PRO 126 HB3 PRO 126 -22.407 3.313 -18.853 924 HG2 PRO 126 HG2 PRO 126 -22.143 5.683 -17.759 925 HG3 PRO 126 HG3 PRO 126 -22.959 4.378 -16.871 926 HD2 PRO 126 HD2 PRO 126 -20.173 5.439 -16.499 927 HD3 PRO 126 HD3 PRO 126 -21.372 4.958 -15.271 928 H GLY 127 H GLY 127 -20.596 0.490 -18.890 929 HA2 GLY 127 HA2 GLY 127 -19.020 -0.293 -20.432 930 HA3 GLY 127 HA3 GLY 127 -18.083 1.175 -20.176 931 H ALA 128 H ALA 128 -18.968 -0.397 -17.258 932 HA ALA 128 HA ALA 128 -16.411 -0.774 -16.299 933 HB1 ALA 128 HB1 ALA 128 -18.937 -2.275 -15.579 934 HB2 ALA 128 HB2 ALA 128 -18.325 -0.804 -14.824 935 HB3 ALA 128 HB3 ALA 128 -17.445 -2.320 -14.640 936 H PHE 129 H PHE 129 -15.112 -2.592 -15.958 937 HA PHE 129 HA PHE 129 -15.021 -4.431 -18.218 938 HB2 PHE 129 HB2 PHE 129 -13.163 -3.885 -15.909 939 HB3 PHE 129 HB3 PHE 129 -12.895 -5.207 -17.041 940 HD1 PHE 129 HD1 PHE 129 -13.091 -1.526 -16.716 941 HD2 PHE 129 HD2 PHE 129 -12.217 -4.811 -19.312 942 HE1 PHE 129 HE1 PHE 129 -12.066 0.044 -18.336 943 HE2 PHE 129 HE2 PHE 129 -11.196 -3.253 -20.944 944 HZ PHE 129 HZ PHE 129 -11.119 -0.821 -20.456 945 H LYS 130 H LYS 130 -15.141 -6.646 -18.145 946 HA LYS 130 HA LYS 130 -15.912 -7.847 -15.581 947 HB2 LYS 130 HB2 LYS 130 -17.372 -8.242 -18.203 948 HB3 LYS 130 HB3 LYS 130 -17.677 -9.172 -16.731 949 HG2 LYS 130 HG2 LYS 130 -18.249 -7.100 -15.538 950 HG3 LYS 130 HG3 LYS 130 -17.940 -6.172 -17.010 951 HD2 LYS 130 HD2 LYS 130 -19.722 -7.428 -18.172 952 HD3 LYS 130 HD3 LYS 130 -20.038 -8.338 -16.692 953 HE2 LYS 130 HE2 LYS 130 -20.619 -6.268 -15.515 954 HE3 LYS 130 HE3 LYS 130 -20.272 -5.332 -16.969 955 HZ1 LYS 130 HZ1 LYS 130 -22.338 -7.453 -16.742 956 HZ2 LYS 130 HZ2 LYS 130 -22.008 -6.522 -18.125 957 HZ3 LYS 130 HZ3 LYS 130 -22.636 -5.784 -16.730 958 H ALA 131 H ALA 131 -15.404 -8.770 -18.985 959 HA ALA 131 HA ALA 131 -14.434 -11.360 -18.483 960 HB1 ALA 131 HB1 ALA 131 -14.227 -9.503 -20.837 961 HB2 ALA 131 HB2 ALA 131 -15.171 -10.984 -20.670 962 HB3 ALA 131 HB3 ALA 131 -13.417 -11.071 -20.838 963 H GLU 132 H GLU 132 -12.781 -8.261 -18.695 964 HA GLU 132 HA GLU 132 -10.136 -9.405 -18.674 965 HB2 GLU 132 HB2 GLU 132 -10.690 -7.164 -19.675 966 HB3 GLU 132 HB3 GLU 132 -10.925 -6.555 -18.033 967 HG2 GLU 132 HG2 GLU 132 -8.613 -7.165 -17.457 968 HG3 GLU 132 HG3 GLU 132 -8.368 -7.811 -19.078 969 H LEU 133 H LEU 133 -8.767 -9.705 -17.007 970 HA LEU 133 HA LEU 133 -9.819 -9.295 -14.274 971 HB2 LEU 133 HB2 LEU 133 -8.237 -11.084 -13.588 972 HB3 LEU 133 HB3 LEU 133 -9.452 -11.657 -14.729 973 HG LEU 133 HG LEU 133 -6.834 -10.652 -15.866 974 HD11 LEU 133 HD11 LEU 133 -6.440 -12.275 -13.835 975 HD12 LEU 133 HD12 LEU 133 -5.566 -12.539 -15.339 976 HD13 LEU 133 HD13 LEU 133 -6.978 -13.522 -14.955 977 HD21 LEU 133 HD21 LEU 133 -7.379 -12.027 -17.688 978 HD22 LEU 133 HD22 LEU 133 -8.997 -11.647 -17.111 979 HD23 LEU 133 HD23 LEU 133 -8.262 -13.188 -16.699 980 H SER 134 H SER 134 -8.263 -8.580 -12.597 981 HA SER 134 HA SER 134 -5.681 -7.605 -13.367 982 HB2 SER 134 HB2 SER 134 -7.062 -5.941 -14.521 983 HB3 SER 134 HB3 SER 134 -7.920 -5.598 -13.027 984 HG SER 134 HG SER 134 -6.364 -4.105 -13.036 985 H LYS 135 H LYS 135 -4.915 -5.890 -11.671 986 HA LYS 135 HA LYS 135 -5.682 -6.838 -8.975 987 HB2 LYS 135 HB2 LYS 135 -3.355 -6.194 -8.272 988 HB3 LYS 135 HB3 LYS 135 -3.374 -7.512 -9.440 989 HG2 LYS 135 HG2 LYS 135 -3.071 -5.646 -11.228 990 HG3 LYS 135 HG3 LYS 135 -2.655 -4.610 -9.873 991 HD2 LYS 135 HD2 LYS 135 -0.530 -5.372 -10.339 992 HD3 LYS 135 HD3 LYS 135 -1.014 -6.685 -9.268 993 HE2 LYS 135 HE2 LYS 135 -1.395 -6.762 -12.279 994 HE3 LYS 135 HE3 LYS 135 0.027 -7.418 -11.463 995 HZ1 LYS 135 HZ1 LYS 135 -2.778 -8.311 -11.293 996 HZ2 LYS 135 HZ2 LYS 135 -1.675 -8.674 -10.051 997 HZ3 LYS 135 HZ3 LYS 135 -1.390 -9.223 -11.632 998 H LEU 136 H LEU 136 -5.562 -5.248 -7.272 999 HA LEU 136 HA LEU 136 -6.178 -2.519 -8.251 1000 HB2 LEU 136 HB2 LEU 136 -7.123 -3.937 -5.755 1001 HB3 LEU 136 HB3 LEU 136 -7.554 -2.290 -6.212 1002 HG LEU 136 HG LEU 136 -8.139 -4.708 -7.948 1003 HD11 LEU 136 HD11 LEU 136 -9.965 -3.234 -6.021 1004 HD12 LEU 136 HD12 LEU 136 -9.343 -4.868 -5.793 1005 HD13 LEU 136 HD13 LEU 136 -10.456 -4.526 -7.119 1006 HD21 LEU 136 HD21 LEU 136 -9.177 -1.847 -7.942 1007 HD22 LEU 136 HD22 LEU 136 -9.740 -3.123 -9.023 1008 HD23 LEU 136 HD23 LEU 136 -8.078 -2.547 -9.128 1009 H VAL 137 H VAL 137 -5.290 -0.736 -7.275 1010 HA VAL 137 HA VAL 137 -3.605 -1.076 -4.920 1011 HB VAL 137 HB VAL 137 -2.036 -1.426 -6.777 1012 HG11 VAL 137 HG11 VAL 137 -3.114 -0.273 -8.586 1013 HG12 VAL 137 HG12 VAL 137 -1.553 0.495 -8.310 1014 HG13 VAL 137 HG13 VAL 137 -3.015 1.274 -7.744 1015 HG21 VAL 137 HG21 VAL 137 -1.466 -0.007 -4.654 1016 HG22 VAL 137 HG22 VAL 137 -1.481 1.369 -5.752 1017 HG23 VAL 137 HG23 VAL 137 -0.348 0.045 -6.016 1018 H ILE 138 H ILE 138 -4.017 0.446 -3.518 1019 HA ILE 138 HA ILE 138 -4.997 3.082 -4.460 1020 HB ILE 138 HB ILE 138 -6.039 1.600 -2.018 1021 HG12 ILE 138 HG12 ILE 138 -8.216 1.710 -3.576 1022 HG13 ILE 138 HG13 ILE 138 -7.031 1.794 -4.878 1023 HG21 ILE 138 HG21 ILE 138 -6.186 3.990 -1.704 1024 HG22 ILE 138 HG22 ILE 138 -7.799 3.420 -2.128 1025 HG23 ILE 138 HG23 ILE 138 -6.802 4.223 -3.341 1026 HD11 ILE 138 HD11 ILE 138 -7.932 -0.533 -4.077 1027 HD12 ILE 138 HD12 ILE 138 -6.784 -0.338 -2.758 1028 HD13 ILE 138 HD13 ILE 138 -6.218 -0.361 -4.425 1029 H VAL 139 H VAL 139 -3.947 4.779 -3.699 1030 HA VAL 139 HA VAL 139 -2.281 4.472 -1.260 1031 HB VAL 139 HB VAL 139 -1.685 6.176 -3.717 1032 HG11 VAL 139 HG11 VAL 139 -0.935 7.129 -1.495 1033 HG12 VAL 139 HG12 VAL 139 0.379 6.790 -2.620 1034 HG13 VAL 139 HG13 VAL 139 0.059 5.687 -1.281 1035 HG21 VAL 139 HG21 VAL 139 -0.345 3.672 -2.630 1036 HG22 VAL 139 HG22 VAL 139 0.252 4.632 -3.984 1037 HG23 VAL 139 HG23 VAL 139 -1.287 3.781 -4.119 1038 H ALA 140 H ALA 140 -2.894 5.738 0.363 1039 HA ALA 140 HA ALA 140 -4.312 8.268 -0.222 1040 HB1 ALA 140 HB1 ALA 140 -5.077 6.133 1.767 1041 HB2 ALA 140 HB2 ALA 140 -6.036 6.776 0.433 1042 HB3 ALA 140 HB3 ALA 140 -5.697 7.783 1.839 1043 H LYS 141 H LYS 141 -4.056 9.937 1.263 1044 HA LYS 141 HA LYS 141 -1.650 9.715 2.938 1045 HB2 LYS 141 HB2 LYS 141 -1.833 11.426 1.062 1046 HB3 LYS 141 HB3 LYS 141 -3.035 12.238 2.061 1047 HG2 LYS 141 HG2 LYS 141 -1.439 12.449 3.898 1048 HG3 LYS 141 HG3 LYS 141 -0.228 11.570 2.970 1049 HD2 LYS 141 HD2 LYS 141 0.322 13.887 2.710 1050 HD3 LYS 141 HD3 LYS 141 -0.428 13.391 1.194 1051 HE2 LYS 141 HE2 LYS 141 -2.554 14.371 1.871 1052 HE3 LYS 141 HE3 LYS 141 -1.900 14.767 3.464 1053 HZ1 LYS 141 HZ1 LYS 141 -0.962 15.839 0.858 1054 HZ2 LYS 141 HZ2 LYS 141 -0.250 16.172 2.364 1055 HZ3 LYS 141 HZ3 LYS 141 -1.834 16.693 2.036 1056 H ALA 142 H ALA 142 -1.689 10.237 5.102 1057 HA ALA 142 HA ALA 142 -4.092 9.996 6.542 1058 HB1 ALA 142 HB1 ALA 142 -2.619 9.678 8.196 1059 HB2 ALA 142 HB2 ALA 142 -2.195 11.388 8.172 1060 HB3 ALA 142 HB3 ALA 142 -1.313 10.245 7.163 1061 H SER 143 H SER 143 -5.518 11.423 7.389 1062 HA SER 143 HA SER 143 -5.077 14.303 6.867 1063 HB2 SER 143 HB2 SER 143 -6.702 13.464 5.254 1064 HB3 SER 143 HB3 SER 143 -7.646 12.738 6.550 1065 HG SER 143 HG SER 143 -8.087 14.788 7.327 1066 H ARG 144 H ARG 144 -5.343 15.604 8.573 1067 HA ARG 144 HA ARG 144 -7.070 14.874 10.791 1068 HB2 ARG 144 HB2 ARG 144 -5.289 14.986 12.493 1069 HB3 ARG 144 HB3 ARG 144 -5.009 13.664 11.356 1070 HG2 ARG 144 HG2 ARG 144 -3.444 15.141 10.082 1071 HG3 ARG 144 HG3 ARG 144 -3.664 16.389 11.308 1072 HD2 ARG 144 HD2 ARG 144 -2.811 14.844 13.032 1073 HD3 ARG 144 HD3 ARG 144 -2.580 13.602 11.805 1074 HE ARG 144 HE ARG 144 -0.898 15.931 12.264 1075 HH11 ARG 144 HH11 ARG 144 -1.830 13.456 9.944 1076 HH12 ARG 144 HH12 ARG 144 -0.372 13.598 9.023 1077 HH21 ARG 144 HH21 ARG 144 0.991 16.084 11.026 1078 HH22 ARG 144 HH22 ARG 144 1.215 15.078 9.633 1079 H THR 145 H THR 145 -7.263 16.582 12.412 1080 HA THR 145 HA THR 145 -6.579 19.265 11.354 1081 HB THR 145 HB THR 145 -8.667 20.095 12.385 1082 HG1 THR 145 HG1 THR 145 -9.263 17.352 12.763 1083 HG21 THR 145 HG21 THR 145 -10.152 19.262 10.699 1084 HG22 THR 145 HG22 THR 145 -9.238 17.761 10.548 1085 HG23 THR 145 HG23 THR 145 -8.537 19.281 9.992 1086 H GLU 146 H GLU 146 -6.551 17.102 14.052 1087 HA GLU 146 HA GLU 146 -5.685 17.215 16.152 1088 HB2 GLU 146 HB2 GLU 146 -3.765 18.105 14.673 1089 HB3 GLU 146 HB3 GLU 146 -4.187 19.693 15.319 1090 HG2 GLU 146 HG2 GLU 146 -3.823 18.910 17.588 1091 HG3 GLU 146 HG3 GLU 146 -3.533 17.269 17.021 1092 H LEU 147 H LEU 147 -5.635 18.444 18.171 1093 HA LEU 147 HA LEU 147 -8.007 19.786 18.708 1094 HB2 LEU 147 HB2 LEU 147 -6.983 20.415 20.866 1095 HB3 LEU 147 HB3 LEU 147 -6.686 18.728 20.457 1096 HG LEU 147 HG LEU 147 -4.449 19.717 19.362 1097 HD11 LEU 147 HD11 LEU 147 -4.642 22.028 19.645 1098 HD12 LEU 147 HD12 LEU 147 -3.656 21.595 21.034 1099 HD13 LEU 147 HD13 LEU 147 -5.383 21.887 21.236 1100 HD21 LEU 147 HD21 LEU 147 -4.756 19.444 22.379 1101 HD22 LEU 147 HD22 LEU 147 -3.262 19.250 21.463 1102 HD23 LEU 147 HD23 LEU 147 -4.574 18.091 21.261
Contact the webmaster for help, if required. Thursday, May 23, 2024 3:23:26 PM GMT (wattos1)