NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
27204 | 2pjg | 7399 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 HT1 GLY 1 -8.091 -9.671 6.528 2 2H GLY 1 HT2 GLY 1 -8.817 -8.512 5.519 3 3H GLY 1 HT3 GLY 1 -7.503 -9.429 4.956 4 1HA GLY 1 HA1 GLY 1 -8.768 -11.160 4.386 5 2HA GLY 1 HA2 GLY 1 -9.716 -11.030 5.868 6 H LYS 2 H LYS 2 -11.801 -10.980 5.077 7 HA LYS 2 HA LYS 2 -12.424 -8.809 3.112 8 1HB LYS 2 HB2 LYS 2 -12.688 -11.309 2.392 9 2HB LYS 2 HB1 LYS 2 -14.122 -11.278 3.420 10 1HG LYS 2 HG2 LYS 2 -14.031 -8.919 1.740 11 2HG LYS 2 HG1 LYS 2 -13.936 -10.381 0.759 12 1HD LYS 2 HD2 LYS 2 -15.876 -11.107 2.516 13 2HD LYS 2 HD1 LYS 2 -16.165 -9.370 2.427 14 1HE LYS 2 HE2 LYS 2 -16.181 -11.377 0.169 15 2HE LYS 2 HE1 LYS 2 -17.480 -10.298 0.676 16 1HZ LYS 2 HZ1 LYS 2 -16.482 -9.379 -1.255 17 2HZ LYS 2 HZ2 LYS 2 -14.918 -9.545 -0.615 18 3HZ LYS 2 HZ3 LYS 2 -15.999 -8.419 0.057 19 H GLU 3 H GLU 3 -12.418 -8.890 6.139 20 HA GLU 3 HA GLU 3 -15.324 -8.330 6.573 21 1HB GLU 3 HB2 GLU 3 -14.577 -8.543 9.062 22 2HB GLU 3 HB1 GLU 3 -14.755 -10.017 8.111 23 1HG GLU 3 HG2 GLU 3 -12.400 -10.197 7.766 24 2HG GLU 3 HG1 GLU 3 -12.119 -8.555 8.345 25 H CYS 4 H CYS 4 -12.196 -6.938 6.425 26 HA CYS 4 HA CYS 4 -13.321 -4.311 7.019 27 1HB CYS 4 HB2 CYS 4 -12.838 -4.966 9.293 28 2HB CYS 4 HB1 CYS 4 -11.238 -5.548 8.835 29 H ASP 5 H ASP 5 -12.608 -3.786 4.903 30 HA ASP 5 HA ASP 5 -9.718 -4.064 4.307 31 1HB ASP 5 HB2 ASP 5 -12.131 -3.947 2.746 32 2HB ASP 5 HB1 ASP 5 -11.066 -2.629 2.254 33 H CYS 6 H CYS 6 -11.040 -2.142 6.300 34 HA CYS 6 HA CYS 6 -9.387 0.179 5.598 35 1HB CYS 6 HB2 CYS 6 -11.334 0.861 4.403 36 2HB CYS 6 HB1 CYS 6 -12.409 0.288 5.677 37 H SER 7 H SER 7 -8.564 0.985 7.494 38 HA SER 7 HA SER 7 -9.784 0.002 10.024 39 1HB SER 7 HB2 SER 7 -7.206 -0.108 9.253 40 2HB SER 7 HB1 SER 7 -7.194 1.467 10.040 41 HG SER 7 HG SER 7 -8.290 0.331 11.824 42 H SER 8 H SER 8 -9.660 2.799 8.110 43 HA SER 8 HA SER 8 -9.699 4.731 10.301 44 1HB SER 8 HB2 SER 8 -9.934 4.819 7.339 45 2HB SER 8 HB1 SER 8 -10.710 6.127 8.229 46 HG SER 8 HG SER 8 -8.774 6.666 9.120 47 HA PRO 9 HA PRO 9 -14.055 3.831 10.950 48 1HB PRO 9 HB2 PRO 9 -14.202 5.174 13.344 49 2HB PRO 9 HB1 PRO 9 -13.574 3.525 13.186 50 1HG PRO 9 HG2 PRO 9 -12.080 6.066 13.631 51 2HG PRO 9 HG1 PRO 9 -11.631 4.410 14.068 52 1HD PRO 9 HD2 PRO 9 -10.640 5.876 11.853 53 2HD PRO 9 HD1 PRO 9 -10.445 4.132 12.130 54 H GLU 10 H GLU 10 -12.504 6.651 10.119 55 HA GLU 10 HA GLU 10 -15.071 8.188 10.134 56 1HB GLU 10 HB2 GLU 10 -13.012 8.975 11.601 57 2HB GLU 10 HB1 GLU 10 -12.415 9.576 10.054 58 1HG GLU 10 HG2 GLU 10 -15.072 10.374 10.056 59 2HG GLU 10 HG1 GLU 10 -14.580 10.606 11.734 60 H ASN 11 H ASN 11 -12.981 6.541 8.210 61 HA ASN 11 HA ASN 11 -12.645 8.400 6.018 62 1HB ASN 11 HB2 ASN 11 -11.688 5.855 6.669 63 2HB ASN 11 HB1 ASN 11 -12.673 5.597 5.231 64 1HD2 ASN 11 1HD2 ASN 11 -10.130 5.177 4.621 65 2HD2 ASN 11 2HD2 ASN 11 -9.388 6.511 3.879 66 HA PRO 12 HA PRO 12 -16.817 7.956 4.538 67 1HB PRO 12 HB2 PRO 12 -16.497 9.566 2.334 68 2HB PRO 12 HB1 PRO 12 -16.714 10.189 3.979 69 1HG PRO 12 HG2 PRO 12 -14.239 10.090 2.324 70 2HG PRO 12 HG1 PRO 12 -14.659 11.187 3.648 71 1HD PRO 12 HD2 PRO 12 -12.928 8.944 3.819 72 2HD PRO 12 HD1 PRO 12 -13.582 9.875 5.185 73 H CYS 13 H CYS 13 -14.048 6.637 3.209 74 HA CYS 13 HA CYS 13 -15.404 5.677 0.747 75 1HB CYS 13 HB2 CYS 13 -12.613 6.084 1.591 76 2HB CYS 13 HB1 CYS 13 -12.888 4.571 0.730 77 H CYS 14 H CYS 14 -14.869 4.721 3.951 78 HA CYS 14 HA CYS 14 -15.536 1.915 3.204 79 1HB CYS 14 HB2 CYS 14 -14.006 1.089 4.968 80 2HB CYS 14 HB1 CYS 14 -13.136 1.955 3.704 81 H ASP 15 H ASP 15 -17.162 1.073 4.421 82 HA ASP 15 HA ASP 15 -18.498 2.793 6.356 83 1HB ASP 15 HB2 ASP 15 -19.504 1.004 4.700 84 2HB ASP 15 HB1 ASP 15 -19.157 -0.116 6.017 85 H ALA 16 H ALA 16 -18.373 2.668 8.567 86 HA ALA 16 HA ALA 16 -16.227 1.092 9.742 87 1HB ALA 16 HB1 ALA 16 -16.572 2.356 11.657 88 2HB ALA 16 HB2 ALA 16 -18.317 2.436 11.415 89 3HB ALA 16 HB3 ALA 16 -17.244 3.444 10.442 90 H ALA 17 H ALA 17 -19.793 1.029 9.921 91 HA ALA 17 HA ALA 17 -20.135 -1.028 11.789 92 1HB ALA 17 HB1 ALA 17 -21.733 -0.789 9.226 93 2HB ALA 17 HB2 ALA 17 -21.958 0.284 10.607 94 3HB ALA 17 HB3 ALA 17 -22.278 -1.443 10.770 95 H THR 18 H THR 18 -18.953 -1.206 8.507 96 HA THR 18 HA THR 18 -18.789 -4.182 8.782 97 HB THR 18 HB THR 18 -19.039 -4.396 6.452 98 HG1 THR 18 HG1 THR 18 -19.038 -2.028 5.417 99 1HG2 THR 18 1HG2 THR 18 -21.093 -3.342 5.975 100 2HG2 THR 18 2HG2 THR 18 -20.665 -1.898 6.893 101 3HG2 THR 18 3HG2 THR 18 -21.055 -3.396 7.738 102 H CYS 19 H CYS 19 -17.041 -1.242 8.522 103 HA CYS 19 HA CYS 19 -14.726 -0.836 8.557 104 1HB CYS 19 HB2 CYS 19 -14.989 -3.083 10.006 105 2HB CYS 19 HB1 CYS 19 -14.093 -3.751 8.644 106 H LYS 20 H LYS 20 -16.353 -1.884 6.094 107 HA LYS 20 HA LYS 20 -13.941 -2.492 4.425 108 1HB LYS 20 HB2 LYS 20 -16.794 -3.301 3.808 109 2HB LYS 20 HB1 LYS 20 -15.330 -3.823 2.976 110 1HG LYS 20 HG2 LYS 20 -14.578 -4.741 5.273 111 2HG LYS 20 HG1 LYS 20 -16.267 -4.554 5.749 112 1HD LYS 20 HD2 LYS 20 -15.798 -5.899 3.146 113 2HD LYS 20 HD1 LYS 20 -15.305 -6.800 4.580 114 1HE LYS 20 HE2 LYS 20 -17.518 -7.445 4.489 115 2HE LYS 20 HE1 LYS 20 -17.692 -5.980 5.455 116 1HZ LYS 20 HZ1 LYS 20 -17.708 -5.143 2.836 117 2HZ LYS 20 HZ2 LYS 20 -19.044 -5.241 3.881 118 3HZ LYS 20 HZ3 LYS 20 -18.673 -6.538 2.848 119 H LEU 21 H LEU 21 -14.998 -2.131 1.926 120 HA LEU 21 HA LEU 21 -15.166 0.784 1.771 121 1HB LEU 21 HB2 LEU 21 -15.040 -1.466 -0.221 122 2HB LEU 21 HB1 LEU 21 -15.492 0.154 -0.752 123 HG LEU 21 HG LEU 21 -13.322 0.741 0.767 124 1HD1 LEU 21 1HD1 LEU 21 -13.245 -2.094 0.385 125 2HD1 LEU 21 2HD1 LEU 21 -12.044 -1.066 1.167 126 3HD1 LEU 21 3HD1 LEU 21 -11.944 -1.377 -0.566 127 1HD2 LEU 21 1HD2 LEU 21 -12.480 1.445 -1.232 128 2HD2 LEU 21 2HD2 LEU 21 -14.035 0.912 -1.872 129 3HD2 LEU 21 3HD2 LEU 21 -12.631 -0.152 -1.965 130 H ARG 22 H ARG 22 -17.034 1.939 1.660 131 HA ARG 22 HA ARG 22 -19.584 0.479 1.600 132 1HB ARG 22 HB2 ARG 22 -19.676 2.168 3.195 133 2HB ARG 22 HB1 ARG 22 -18.757 3.300 2.210 134 1HG ARG 22 HG2 ARG 22 -20.673 3.573 0.697 135 2HG ARG 22 HG1 ARG 22 -21.591 2.385 1.624 136 1HD ARG 22 HD2 ARG 22 -20.564 4.372 3.426 137 2HD ARG 22 HD1 ARG 22 -21.396 5.181 2.098 138 HE ARG 22 HE ARG 22 -22.672 3.099 3.825 139 1HH1 ARG 22 1HH1 ARG 22 -22.753 6.343 3.184 140 2HH1 ARG 22 2HH1 ARG 22 -24.432 6.420 2.760 141 1HH2 ARG 22 1HH2 ARG 22 -24.841 2.978 2.668 142 2HH2 ARG 22 2HH2 ARG 22 -25.612 4.515 2.468 143 HA PRO 23 HA PRO 23 -20.017 3.049 -2.402 144 1HB PRO 23 HB2 PRO 23 -17.775 4.321 -3.354 145 2HB PRO 23 HB1 PRO 23 -18.932 5.076 -2.244 146 1HG PRO 23 HG2 PRO 23 -16.193 4.056 -1.685 147 2HG PRO 23 HG1 PRO 23 -17.128 5.287 -0.823 148 1HD PRO 23 HD2 PRO 23 -16.750 2.586 -0.024 149 2HD PRO 23 HD1 PRO 23 -17.872 3.755 0.700 150 H GLY 24 H GLY 24 -18.468 3.108 -4.719 151 1HA GLY 24 HA2 GLY 24 -17.862 0.232 -5.065 152 2HA GLY 24 HA1 GLY 24 -18.068 1.406 -6.365 153 H ALA 25 H ALA 25 -16.075 2.298 -3.678 154 HA ALA 25 HA ALA 25 -13.770 2.692 -5.370 155 1HB ALA 25 HB1 ALA 25 -13.462 4.101 -3.614 156 2HB ALA 25 HB2 ALA 25 -12.799 2.696 -2.780 157 3HB ALA 25 HB3 ALA 25 -14.492 3.138 -2.554 158 H GLN 26 H GLN 26 -11.778 1.492 -5.344 159 HA GLN 26 HA GLN 26 -12.170 -1.372 -4.759 160 1HB GLN 26 HB2 GLN 26 -10.653 0.136 -6.643 161 2HB GLN 26 HB1 GLN 26 -9.512 -0.778 -5.657 162 1HG GLN 26 HG2 GLN 26 -10.052 -2.664 -6.752 163 2HG GLN 26 HG1 GLN 26 -11.737 -2.476 -6.266 164 1HE2 GLN 26 1HE2 GLN 26 -12.778 -0.458 -7.654 165 2HE2 GLN 26 2HE2 GLN 26 -12.529 -0.600 -9.327 166 H CYS 27 H CYS 27 -11.131 1.278 -3.034 167 HA CYS 27 HA CYS 27 -10.020 -0.364 -0.930 168 1HB CYS 27 HB2 CYS 27 -7.885 -0.415 -1.690 169 2HB CYS 27 HB1 CYS 27 -8.218 0.779 -2.935 170 H GLY 28 H GLY 28 -10.012 0.781 1.025 171 1HA GLY 28 HA2 GLY 28 -11.284 3.447 0.909 172 2HA GLY 28 HA1 GLY 28 -11.132 2.445 2.349 173 H GLU 29 H GLU 29 -8.250 1.947 1.516 174 HA GLU 29 HA GLU 29 -6.920 4.511 1.638 175 1HB GLU 29 HB2 GLU 29 -6.053 4.313 3.917 176 2HB GLU 29 HB1 GLU 29 -7.811 4.361 3.950 177 1HG GLU 29 HG2 GLU 29 -7.675 2.477 5.195 178 2HG GLU 29 HG1 GLU 29 -7.286 1.663 3.680 179 H GLY 30 H GLY 30 -4.540 4.203 1.737 180 1HA GLY 30 HA2 GLY 30 -3.093 1.878 2.007 181 2HA GLY 30 HA1 GLY 30 -3.774 1.728 0.388 182 H LEU 31 H LEU 31 -1.008 1.917 0.804 183 HA LEU 31 HA LEU 31 -0.058 4.632 0.492 184 1HB LEU 31 HB2 LEU 31 1.188 1.916 0.036 185 2HB LEU 31 HB1 LEU 31 2.064 3.414 -0.273 186 HG LEU 31 HG LEU 31 2.572 2.672 1.984 187 1HD1 LEU 31 1HD1 LEU 31 1.642 5.175 1.315 188 2HD1 LEU 31 2HD1 LEU 31 2.408 4.761 2.849 189 3HD1 LEU 31 3HD1 LEU 31 0.649 4.774 2.717 190 1HD2 LEU 31 1HD2 LEU 31 0.882 2.224 3.626 191 2HD2 LEU 31 2HD2 LEU 31 0.410 1.333 2.179 192 3HD2 LEU 31 3HD2 LEU 31 -0.392 2.852 2.581 193 H CYS 32 H CYS 32 -1.185 2.146 -1.707 194 HA CYS 32 HA CYS 32 -0.504 3.959 -3.988 195 1HB CYS 32 HB2 CYS 32 -1.114 1.050 -4.398 196 2HB CYS 32 HB1 CYS 32 -0.090 2.120 -5.354 197 H CYS 33 H CYS 33 -2.840 4.383 -2.472 198 HA CYS 33 HA CYS 33 -4.985 3.298 -4.248 199 1HB CYS 33 HB2 CYS 33 -4.967 4.227 -1.383 200 2HB CYS 33 HB1 CYS 33 -6.469 4.216 -2.306 201 H GLU 34 H GLU 34 -5.429 4.761 -5.839 202 HA GLU 34 HA GLU 34 -5.158 7.658 -5.235 203 1HB GLU 34 HB2 GLU 34 -5.597 7.850 -7.754 204 2HB GLU 34 HB1 GLU 34 -4.087 7.068 -7.283 205 1HG GLU 34 HG2 GLU 34 -4.929 4.904 -7.748 206 2HG GLU 34 HG1 GLU 34 -6.599 5.469 -7.775 207 H GLN 35 H GLN 35 -7.024 8.271 -4.161 208 HA GLN 35 HA GLN 35 -9.278 8.925 -3.999 209 1HB GLN 35 HB2 GLN 35 -8.782 8.796 -6.762 210 2HB GLN 35 HB1 GLN 35 -10.260 7.864 -6.518 211 1HG GLN 35 HG2 GLN 35 -11.407 9.689 -5.582 212 2HG GLN 35 HG1 GLN 35 -9.916 10.551 -5.200 213 1HE2 GLN 35 1HE2 GLN 35 -12.393 11.160 -7.034 214 2HE2 GLN 35 2HE2 GLN 35 -11.674 11.684 -8.479 215 H CYS 36 H CYS 36 -8.426 6.433 -2.984 216 HA CYS 36 HA CYS 36 -9.384 4.485 -2.096 217 1HB CYS 36 HB2 CYS 36 -11.934 5.453 -3.423 218 2HB CYS 36 HB1 CYS 36 -11.806 4.260 -2.132 219 H LYS 37 H LYS 37 -8.492 4.889 -5.062 220 HA LYS 37 HA LYS 37 -9.694 2.339 -6.070 221 1HB LYS 37 HB2 LYS 37 -9.148 4.932 -7.379 222 2HB LYS 37 HB1 LYS 37 -8.630 3.519 -8.298 223 1HG LYS 37 HG2 LYS 37 -10.806 2.630 -8.399 224 2HG LYS 37 HG1 LYS 37 -11.370 3.617 -7.049 225 1HD LYS 37 HD2 LYS 37 -10.856 5.644 -8.568 226 2HD LYS 37 HD1 LYS 37 -10.802 4.473 -9.886 227 1HE LYS 37 HE2 LYS 37 -13.061 3.959 -9.708 228 2HE LYS 37 HE1 LYS 37 -13.139 4.426 -8.008 229 1HZ LYS 37 HZ1 LYS 37 -13.824 5.960 -10.205 230 2HZ LYS 37 HZ2 LYS 37 -12.390 6.640 -9.596 231 3HZ LYS 37 HZ3 LYS 37 -13.745 6.460 -8.587 232 H PHE 38 H PHE 38 -8.209 0.909 -7.207 233 HA PHE 38 HA PHE 38 -5.607 0.754 -5.975 234 1HB PHE 38 HB2 PHE 38 -6.959 -0.722 -8.227 235 2HB PHE 38 HB1 PHE 38 -5.260 -1.005 -7.861 236 HD1 PHE 38 HD2 PHE 38 -7.240 -0.009 -5.015 237 HD2 PHE 38 HD1 PHE 38 -6.051 -3.393 -7.383 238 HE1 PHE 38 HE2 PHE 38 -7.887 -1.534 -3.170 239 HE2 PHE 38 HE1 PHE 38 -6.700 -4.913 -5.536 240 HZ PHE 38 HZ PHE 38 -7.617 -3.984 -3.429 241 H SER 39 H SER 39 -3.993 2.171 -6.494 242 HA SER 39 HA SER 39 -3.880 3.781 -8.815 243 1HB SER 39 HB2 SER 39 -1.411 3.954 -8.292 244 2HB SER 39 HB1 SER 39 -2.466 4.304 -6.925 245 HG SER 39 HG SER 39 -1.329 1.760 -7.478 246 H ARG 40 H ARG 40 -1.673 3.433 -10.287 247 HA ARG 40 HA ARG 40 -2.079 0.722 -11.473 248 1HB ARG 40 HB2 ARG 40 -1.365 3.402 -12.620 249 2HB ARG 40 HB1 ARG 40 -0.813 1.946 -13.449 250 1HG ARG 40 HG2 ARG 40 -2.860 1.667 -14.335 251 2HG ARG 40 HG1 ARG 40 -3.551 1.564 -12.716 252 1HD ARG 40 HD2 ARG 40 -4.678 3.407 -13.623 253 2HD ARG 40 HD1 ARG 40 -3.357 4.170 -12.740 254 HE ARG 40 HE ARG 40 -3.057 3.604 -15.654 255 1HH1 ARG 40 1HH1 ARG 40 -1.737 5.295 -13.144 256 2HH1 ARG 40 2HH1 ARG 40 -1.764 6.850 -13.907 257 1HH2 ARG 40 1HH2 ARG 40 -3.711 5.797 -16.577 258 2HH2 ARG 40 2HH2 ARG 40 -2.876 7.133 -15.855 259 H ALA 41 H ALA 41 -0.169 -0.452 -12.170 260 HA ALA 41 HA ALA 41 1.940 -0.594 -10.348 261 1HB ALA 41 HB1 ALA 41 3.080 -1.233 -12.853 262 2HB ALA 41 HB2 ALA 41 1.374 -1.660 -12.974 263 3HB ALA 41 HB3 ALA 41 2.367 -2.352 -11.691 264 H GLY 42 H GLY 42 4.355 -0.095 -11.012 265 1HA GLY 42 HA2 GLY 42 5.963 1.556 -11.538 266 2HA GLY 42 HA1 GLY 42 4.782 2.263 -12.635 267 H LYS 43 H LYS 43 3.902 1.642 -9.318 268 HA LYS 43 HA LYS 43 3.810 4.603 -8.894 269 1HB LYS 43 HB2 LYS 43 1.629 3.553 -8.734 270 2HB LYS 43 HB1 LYS 43 2.248 2.350 -7.604 271 1HG LYS 43 HG2 LYS 43 1.038 4.146 -6.415 272 2HG LYS 43 HG1 LYS 43 2.744 4.126 -5.970 273 1HD LYS 43 HD2 LYS 43 3.090 6.188 -6.825 274 2HD LYS 43 HD1 LYS 43 2.228 5.796 -8.313 275 1HE LYS 43 HE2 LYS 43 0.795 7.389 -7.440 276 2HE LYS 43 HE1 LYS 43 0.110 5.938 -6.707 277 1HZ LYS 43 HZ1 LYS 43 2.283 7.086 -5.210 278 2HZ LYS 43 HZ2 LYS 43 0.753 6.568 -4.683 279 3HZ LYS 43 HZ3 LYS 43 0.945 8.118 -5.352 280 H ILE 44 H ILE 44 5.515 5.307 -7.712 281 HA ILE 44 HA ILE 44 7.059 3.571 -5.995 282 HB ILE 44 HB ILE 44 7.662 5.853 -7.242 283 1HG1 ILE 44 2HG1 ILE 44 9.219 4.326 -6.036 284 2HG1 ILE 44 1HG1 ILE 44 9.626 6.026 -5.803 285 1HG2 ILE 44 1HG2 ILE 44 7.166 6.842 -4.430 286 2HG2 ILE 44 2HG2 ILE 44 6.009 7.098 -5.736 287 3HG2 ILE 44 3HG2 ILE 44 7.630 7.783 -5.848 288 1HD1 ILE 44 1HD1 ILE 44 8.720 4.033 -3.843 289 2HD1 ILE 44 2HD1 ILE 44 7.863 5.571 -3.739 290 3HD1 ILE 44 3HD1 ILE 44 9.620 5.528 -3.591 291 H CYS 45 H CYS 45 6.505 2.965 -3.962 292 HA CYS 45 HA CYS 45 4.525 4.665 -2.492 293 1HB CYS 45 HB2 CYS 45 4.159 2.459 -1.187 294 2HB CYS 45 HB1 CYS 45 3.493 2.580 -2.813 295 H ARG 46 H ARG 46 7.719 3.378 -2.438 296 HA ARG 46 HA ARG 46 8.131 4.644 0.215 297 1HB ARG 46 HB2 ARG 46 9.330 1.933 -0.337 298 2HB ARG 46 HB1 ARG 46 9.135 2.756 1.210 299 1HG ARG 46 HG2 ARG 46 6.772 1.910 -0.475 300 2HG ARG 46 HG1 ARG 46 7.492 0.851 0.738 301 1HD ARG 46 HD2 ARG 46 6.749 3.660 1.494 302 2HD ARG 46 HD1 ARG 46 5.491 2.427 1.408 303 HE ARG 46 HE ARG 46 7.730 2.484 3.343 304 1HH1 ARG 46 1HH1 ARG 46 7.331 -0.322 2.438 305 2HH1 ARG 46 2HH1 ARG 46 6.111 -0.897 3.526 306 1HH2 ARG 46 1HH2 ARG 46 5.152 2.275 4.545 307 2HH2 ARG 46 2HH2 ARG 46 4.877 0.574 4.717 308 H ILE 47 H ILE 47 10.235 5.475 0.472 309 HA ILE 47 HA ILE 47 11.953 5.272 -1.966 310 HB ILE 47 HB ILE 47 10.853 7.523 -1.413 311 1HG1 ILE 47 2HG1 ILE 47 13.846 7.758 -1.359 312 2HG1 ILE 47 1HG1 ILE 47 13.066 6.995 -2.745 313 1HG2 ILE 47 1HG2 ILE 47 11.754 8.812 0.388 314 2HG2 ILE 47 2HG2 ILE 47 13.028 7.630 0.688 315 3HG2 ILE 47 3HG2 ILE 47 11.353 7.240 1.078 316 1HD1 ILE 47 1HD1 ILE 47 13.058 9.828 -1.903 317 2HD1 ILE 47 2HD1 ILE 47 11.495 9.202 -2.429 318 3HD1 ILE 47 3HD1 ILE 47 12.885 9.132 -3.514 319 HA PRO 48 HA PRO 48 14.914 3.621 0.919 320 1HB PRO 48 HB2 PRO 48 16.928 3.294 -0.920 321 2HB PRO 48 HB1 PRO 48 15.549 2.191 -0.781 322 1HG PRO 48 HG2 PRO 48 16.104 4.241 -2.868 323 2HG PRO 48 HG1 PRO 48 15.122 2.771 -2.973 324 1HD PRO 48 HD2 PRO 48 14.149 5.425 -2.653 325 2HD PRO 48 HD1 PRO 48 13.205 3.930 -2.499 326 H ARG 49 H ARG 49 16.805 4.424 1.996 327 HA ARG 49 HA ARG 49 17.865 7.028 0.982 328 1HB ARG 49 HB2 ARG 49 16.224 7.191 2.968 329 2HB ARG 49 HB1 ARG 49 17.503 6.439 3.922 330 1HG ARG 49 HG2 ARG 49 18.846 8.294 3.838 331 2HG ARG 49 HG1 ARG 49 18.321 8.726 2.211 332 1HD ARG 49 HD2 ARG 49 16.119 9.444 3.173 333 2HD ARG 49 HD1 ARG 49 16.776 9.153 4.783 334 HE ARG 49 HE ARG 49 18.619 10.855 3.577 335 1HH1 ARG 49 1HH1 ARG 49 15.537 10.870 5.019 336 2HH1 ARG 49 2HH1 ARG 49 15.282 12.572 4.822 337 1HH2 ARG 49 1HH2 ARG 49 18.171 13.059 2.967 338 2HH2 ARG 49 2HH2 ARG 49 16.773 13.811 3.658 339 H GLY 50 H GLY 50 19.890 6.391 0.334 340 1HA GLY 50 HA2 GLY 50 22.184 6.183 1.419 341 2HA GLY 50 HA1 GLY 50 21.507 4.808 2.293 342 H GLU 51 H GLU 51 20.582 3.039 0.818 343 HA GLU 51 HA GLU 51 21.557 2.886 -1.912 344 1HB GLU 51 HB2 GLU 51 22.958 0.728 -1.164 345 2HB GLU 51 HB1 GLU 51 23.690 2.331 -1.237 346 1HG GLU 51 HG2 GLU 51 23.821 2.525 1.038 347 2HG GLU 51 HG1 GLU 51 22.312 1.653 1.302 348 H MET 52 H MET 52 19.101 2.507 -1.636 349 HA MET 52 HA MET 52 18.671 -0.435 -1.544 350 1HB MET 52 HB2 MET 52 17.283 1.654 0.106 351 2HB MET 52 HB1 MET 52 16.363 0.253 -0.445 352 1HG MET 52 HG2 MET 52 18.894 -0.661 0.539 353 2HG MET 52 HG1 MET 52 18.177 0.403 1.749 354 1HE MET 52 HE1 MET 52 15.928 0.122 2.848 355 2HE MET 52 HE2 MET 52 14.713 -1.076 2.412 356 3HE MET 52 HE3 MET 52 15.152 0.183 1.260 357 HA PRO 53 HA PRO 53 16.292 0.368 -5.141 358 1HB PRO 53 HB2 PRO 53 14.500 -1.716 -5.006 359 2HB PRO 53 HB1 PRO 53 16.201 -1.912 -5.463 360 1HG PRO 53 HG2 PRO 53 14.852 -2.623 -2.900 361 2HG PRO 53 HG1 PRO 53 16.296 -3.330 -3.641 362 1HD PRO 53 HD2 PRO 53 16.276 -1.484 -1.499 363 2HD PRO 53 HD1 PRO 53 17.692 -1.930 -2.476 364 H ASP 54 H ASP 54 14.212 1.194 -5.841 365 HA ASP 54 HA ASP 54 12.694 2.477 -3.711 366 1HB ASP 54 HB2 ASP 54 12.438 2.425 -6.722 367 2HB ASP 54 HB1 ASP 54 11.269 3.256 -5.695 368 H ASP 55 H ASP 55 10.205 2.344 -3.851 369 HA ASP 55 HA ASP 55 9.444 -0.534 -4.122 370 1HB ASP 55 HB2 ASP 55 9.401 0.819 -1.829 371 2HB ASP 55 HB1 ASP 55 7.845 1.362 -2.454 372 H ARG 56 H ARG 56 8.424 -0.704 -6.058 373 HA ARG 56 HA ARG 56 6.554 1.455 -6.918 374 1HB ARG 56 HB2 ARG 56 8.519 0.450 -8.349 375 2HB ARG 56 HB1 ARG 56 7.378 -0.865 -8.632 376 1HG ARG 56 HG2 ARG 56 6.484 0.403 -10.252 377 2HG ARG 56 HG1 ARG 56 5.859 1.444 -8.975 378 1HD ARG 56 HD2 ARG 56 7.214 2.669 -10.716 379 2HD ARG 56 HD1 ARG 56 7.819 2.856 -9.070 380 HE ARG 56 HE ARG 56 9.012 0.807 -10.887 381 1HH1 ARG 56 1HH2 ARG 56 9.589 3.981 -10.496 382 2HH1 ARG 56 2HH2 ARG 56 11.137 3.841 -9.733 383 1HH2 ARG 56 1HH1 ARG 56 10.852 0.429 -9.179 384 2HH2 ARG 56 2HH1 ARG 56 11.852 1.830 -8.985 385 H CYS 57 H CYS 57 4.429 1.082 -6.534 386 HA CYS 57 HA CYS 57 3.416 -1.472 -5.681 387 1HB CYS 57 HB2 CYS 57 1.728 0.701 -6.929 388 2HB CYS 57 HB1 CYS 57 1.268 -0.458 -5.685 389 H THR 58 H THR 58 2.083 -2.941 -6.889 390 HA THR 58 HA THR 58 2.833 -3.113 -9.719 391 HB THR 58 HB THR 58 2.147 -5.321 -9.617 392 HG1 THR 58 HG1 THR 58 0.163 -5.633 -9.079 393 1HG2 THR 58 1HG2 THR 58 2.300 -4.882 -6.639 394 2HG2 THR 58 2HG2 THR 58 3.723 -4.678 -7.662 395 3HG2 THR 58 3HG2 THR 58 2.907 -6.241 -7.586 396 H GLY 59 H GLY 59 0.700 -1.196 -8.324 397 1HA GLY 59 HA2 GLY 59 -1.060 0.010 -9.385 398 2HA GLY 59 HA1 GLY 59 -1.054 -1.187 -10.682 399 H GLN 60 H GLN 60 -1.584 -3.533 -9.562 400 HA GLN 60 HA GLN 60 -4.347 -3.266 -8.686 401 1HB GLN 60 HB2 GLN 60 -2.582 -5.730 -8.832 402 2HB GLN 60 HB1 GLN 60 -4.337 -5.724 -8.654 403 1HG GLN 60 HG2 GLN 60 -4.235 -4.234 -10.837 404 2HG GLN 60 HG1 GLN 60 -2.673 -5.027 -11.047 405 1HE2 GLN 60 1HE2 GLN 60 -5.961 -6.097 -9.974 406 2HE2 GLN 60 2HE2 GLN 60 -5.990 -7.473 -10.966 407 H SER 61 H SER 61 -1.475 -2.947 -7.056 408 HA SER 61 HA SER 61 -2.522 -4.190 -4.558 409 1HB SER 61 HB2 SER 61 0.201 -2.939 -4.913 410 2HB SER 61 HB1 SER 61 -0.303 -4.142 -3.729 411 HG SER 61 HG SER 61 0.411 -5.517 -5.148 412 H ALA 62 H ALA 62 -3.646 -2.836 -3.251 413 HA ALA 62 HA ALA 62 -3.568 0.043 -3.573 414 1HB ALA 62 HB1 ALA 62 -4.793 -0.251 -1.191 415 2HB ALA 62 HB2 ALA 62 -4.965 -1.898 -1.798 416 3HB ALA 62 HB3 ALA 62 -5.621 -0.546 -2.721 417 H ASP 63 H ASP 63 -2.591 -2.078 -0.847 418 HA ASP 63 HA ASP 63 -1.067 0.108 0.364 419 1HB ASP 63 HB2 ASP 63 -1.142 -2.844 1.064 420 2HB ASP 63 HB1 ASP 63 -0.438 -1.563 2.054 421 H CYS 64 H CYS 64 1.315 -0.340 0.929 422 HA CYS 64 HA CYS 64 2.629 -1.482 -1.496 423 1HB CYS 64 HB2 CYS 64 3.055 0.907 -1.203 424 2HB CYS 64 HB1 CYS 64 3.622 0.627 0.442 425 HA PRO 65 HA PRO 65 4.183 -4.542 1.271 426 1HB PRO 65 HB2 PRO 65 5.470 -5.934 -0.708 427 2HB PRO 65 HB1 PRO 65 3.741 -6.071 -0.398 428 1HG PRO 65 HG2 PRO 65 5.169 -4.714 -2.623 429 2HG PRO 65 HG1 PRO 65 3.513 -5.343 -2.570 430 1HD PRO 65 HD2 PRO 65 4.287 -2.625 -2.322 431 2HD PRO 65 HD1 PRO 65 2.673 -3.297 -2.006 432 H ARG 66 H ARG 66 6.712 -5.754 0.635 433 HA ARG 66 HA ARG 66 8.548 -3.415 0.960 434 1HB ARG 66 HB2 ARG 66 9.992 -5.003 2.294 435 2HB ARG 66 HB1 ARG 66 8.450 -4.609 3.053 436 1HG ARG 66 HG2 ARG 66 7.535 -6.732 1.938 437 2HG ARG 66 HG1 ARG 66 9.216 -7.150 1.604 438 1HD ARG 66 HD2 ARG 66 9.298 -8.030 3.679 439 2HD ARG 66 HD1 ARG 66 9.208 -6.379 4.291 440 HE ARG 66 HE ARG 66 6.946 -6.768 4.872 441 1HH1 ARG 66 1HH1 ARG 66 8.067 -9.701 4.863 442 2HH1 ARG 66 2HH1 ARG 66 6.744 -10.509 4.092 443 1HH2 ARG 66 1HH2 ARG 66 5.269 -7.581 2.961 444 2HH2 ARG 66 2HH2 ARG 66 5.162 -9.309 3.013 445 H TYR 67 H TYR 67 10.894 -4.072 0.364 446 HA TYR 67 HA TYR 67 10.833 -5.875 -2.023 447 1HB TYR 67 HB2 TYR 67 10.908 -3.323 -2.460 448 2HB TYR 67 HB1 TYR 67 12.563 -3.409 -1.856 449 HD1 TYR 67 HD2 TYR 67 13.931 -5.524 -2.871 450 HD2 TYR 67 HD1 TYR 67 10.630 -3.523 -4.755 451 HE1 TYR 67 HE2 TYR 67 14.693 -6.347 -5.083 452 HE2 TYR 67 HE1 TYR 67 11.393 -4.346 -6.966 453 HH TYR 67 HH TYR 67 12.830 -6.423 -7.757 454 H HIS 68 H HIS 68 13.396 -4.050 -0.315 455 HA HIS 68 HA HIS 68 15.209 -6.313 -0.476 456 1HB HIS 68 HB2 HIS 68 16.118 -4.059 -0.498 457 2HB HIS 68 HB1 HIS 68 15.365 -3.700 1.055 458 HD1 HIS 68 HD1 HIS 68 17.562 -6.594 -0.151 459 HD2 HIS 68 HD2 HIS 68 17.332 -3.842 2.972 460 HE1 HIS 68 HE1 HIS 68 19.489 -7.116 1.408 Start of MODEL 2 1 1H GLY 1 HT1 GLY 1 -7.699 -9.089 6.824 2 2H GLY 1 HT2 GLY 1 -6.385 -8.175 6.252 3 3H GLY 1 HT3 GLY 1 -7.005 -9.453 5.321 4 1HA GLY 1 HA1 GLY 1 -8.625 -7.085 6.054 5 2HA GLY 1 HA2 GLY 1 -7.661 -7.158 4.580 6 H LYS 2 H LYS 2 -9.056 -10.085 5.842 7 HA LYS 2 HA LYS 2 -10.393 -10.732 3.420 8 1HB LYS 2 HB2 LYS 2 -10.483 -11.751 6.231 9 2HB LYS 2 HB1 LYS 2 -11.764 -12.253 5.126 10 1HG LYS 2 HG2 LYS 2 -9.384 -12.490 3.648 11 2HG LYS 2 HG1 LYS 2 -9.008 -13.144 5.243 12 1HD LYS 2 HD2 LYS 2 -10.407 -14.922 4.984 13 2HD LYS 2 HD1 LYS 2 -11.635 -13.958 4.161 14 1HE LYS 2 HE2 LYS 2 -9.273 -14.139 2.514 15 2HE LYS 2 HE1 LYS 2 -9.800 -15.755 2.981 16 1HZ LYS 2 HZ1 LYS 2 -10.845 -14.760 0.919 17 2HZ LYS 2 HZ2 LYS 2 -11.694 -13.724 1.964 18 3HZ LYS 2 HZ3 LYS 2 -11.908 -15.407 2.071 19 H GLU 3 H GLU 3 -11.591 -9.190 6.392 20 HA GLU 3 HA GLU 3 -14.135 -8.598 4.928 21 1HB GLU 3 HB2 GLU 3 -14.229 -10.020 7.067 22 2HB GLU 3 HB1 GLU 3 -13.778 -8.549 7.930 23 1HG GLU 3 HG2 GLU 3 -15.742 -7.409 6.797 24 2HG GLU 3 HG1 GLU 3 -16.245 -9.004 6.236 25 H CYS 4 H CYS 4 -11.306 -7.180 5.547 26 HA CYS 4 HA CYS 4 -12.604 -4.527 5.966 27 1HB CYS 4 HB2 CYS 4 -11.483 -5.092 8.047 28 2HB CYS 4 HB1 CYS 4 -10.004 -5.505 7.179 29 H ASP 5 H ASP 5 -12.145 -3.138 4.361 30 HA ASP 5 HA ASP 5 -9.711 -3.630 2.690 31 1HB ASP 5 HB2 ASP 5 -12.545 -3.086 1.963 32 2HB ASP 5 HB1 ASP 5 -11.329 -2.218 1.026 33 H CYS 6 H CYS 6 -10.510 -1.837 5.103 34 HA CYS 6 HA CYS 6 -9.039 0.519 4.188 35 1HB CYS 6 HB2 CYS 6 -11.152 1.262 3.401 36 2HB CYS 6 HB1 CYS 6 -11.997 0.599 4.797 37 H SER 7 H SER 7 -7.892 1.291 5.930 38 HA SER 7 HA SER 7 -8.501 0.095 8.574 39 1HB SER 7 HB2 SER 7 -6.161 1.830 8.453 40 2HB SER 7 HB1 SER 7 -6.273 0.131 8.906 41 HG SER 7 HG SER 7 -5.104 0.855 6.854 42 H SER 8 H SER 8 -8.924 3.062 6.906 43 HA SER 8 HA SER 8 -8.889 4.703 9.343 44 1HB SER 8 HB2 SER 8 -10.019 6.326 7.525 45 2HB SER 8 HB1 SER 8 -8.280 6.075 7.613 46 HG SER 8 HG SER 8 -8.383 4.708 5.920 47 HA PRO 9 HA PRO 9 -13.170 3.565 10.041 48 1HB PRO 9 HB2 PRO 9 -13.314 4.742 12.520 49 2HB PRO 9 HB1 PRO 9 -12.603 3.144 12.236 50 1HG PRO 9 HG2 PRO 9 -11.236 5.733 12.800 51 2HG PRO 9 HG1 PRO 9 -10.685 4.080 13.120 52 1HD PRO 9 HD2 PRO 9 -9.838 5.727 10.978 53 2HD PRO 9 HD1 PRO 9 -9.553 3.980 11.129 54 H GLU 10 H GLU 10 -11.942 6.820 10.909 55 HA GLU 10 HA GLU 10 -14.515 8.102 10.624 56 1HB GLU 10 HB2 GLU 10 -11.672 9.033 10.861 57 2HB GLU 10 HB1 GLU 10 -12.907 10.185 10.348 58 1HG GLU 10 HG2 GLU 10 -14.199 9.794 12.355 59 2HG GLU 10 HG1 GLU 10 -13.137 8.468 12.836 60 H ASN 11 H ASN 11 -12.372 6.816 8.362 61 HA ASN 11 HA ASN 11 -12.723 8.738 6.230 62 1HB ASN 11 HB2 ASN 11 -10.836 7.326 6.036 63 2HB ASN 11 HB1 ASN 11 -11.779 5.876 6.371 64 1HD2 ASN 11 1HD2 ASN 11 -10.803 5.072 4.274 65 2HD2 ASN 11 2HD2 ASN 11 -11.528 5.528 2.811 66 HA PRO 12 HA PRO 12 -16.872 7.419 5.296 67 1HB PRO 12 HB2 PRO 12 -17.221 9.111 3.160 68 2HB PRO 12 HB1 PRO 12 -17.343 9.627 4.850 69 1HG PRO 12 HG2 PRO 12 -15.147 10.118 2.892 70 2HG PRO 12 HG1 PRO 12 -15.630 11.076 4.301 71 1HD PRO 12 HD2 PRO 12 -13.427 9.307 4.182 72 2HD PRO 12 HD1 PRO 12 -14.124 10.008 5.657 73 H CYS 13 H CYS 13 -14.249 7.509 2.927 74 HA CYS 13 HA CYS 13 -15.528 6.242 0.747 75 1HB CYS 13 HB2 CYS 13 -13.048 7.162 1.095 76 2HB CYS 13 HB1 CYS 13 -12.727 5.464 1.419 77 H CYS 14 H CYS 14 -14.625 4.965 3.845 78 HA CYS 14 HA CYS 14 -15.413 2.258 2.859 79 1HB CYS 14 HB2 CYS 14 -13.804 1.405 4.686 80 2HB CYS 14 HB1 CYS 14 -13.088 2.034 3.203 81 H ASP 15 H ASP 15 -16.451 0.910 4.455 82 HA ASP 15 HA ASP 15 -17.966 2.499 6.440 83 1HB ASP 15 HB2 ASP 15 -19.008 0.781 4.810 84 2HB ASP 15 HB1 ASP 15 -18.312 -0.447 5.868 85 H ALA 16 H ALA 16 -17.102 2.639 8.448 86 HA ALA 16 HA ALA 16 -14.957 1.005 9.390 87 1HB ALA 16 HB1 ALA 16 -15.115 2.215 11.391 88 2HB ALA 16 HB2 ALA 16 -16.865 2.386 11.262 89 3HB ALA 16 HB3 ALA 16 -15.806 3.336 10.219 90 H ALA 17 H ALA 17 -18.467 0.750 9.754 91 HA ALA 17 HA ALA 17 -18.576 -1.213 11.783 92 1HB ALA 17 HB1 ALA 17 -20.791 -1.538 11.151 93 2HB ALA 17 HB2 ALA 17 -20.426 -1.409 9.431 94 3HB ALA 17 HB3 ALA 17 -20.478 0.042 10.431 95 H THR 18 H THR 18 -18.208 -1.634 8.254 96 HA THR 18 HA THR 18 -17.579 -4.507 8.763 97 HB THR 18 HB THR 18 -18.018 -4.853 6.379 98 HG1 THR 18 HG1 THR 18 -17.441 -3.055 5.364 99 1HG2 THR 18 1HG2 THR 18 -19.981 -5.033 7.697 100 2HG2 THR 18 2HG2 THR 18 -20.436 -3.984 6.355 101 3HG2 THR 18 3HG2 THR 18 -20.076 -3.288 7.935 102 H CYS 19 H CYS 19 -15.993 -1.641 8.482 103 HA CYS 19 HA CYS 19 -13.792 -1.059 7.914 104 1HB CYS 19 HB2 CYS 19 -13.607 -3.296 9.348 105 2HB CYS 19 HB1 CYS 19 -13.042 -3.955 7.813 106 H LYS 20 H LYS 20 -15.803 -2.024 5.763 107 HA LYS 20 HA LYS 20 -13.742 -2.585 3.665 108 1HB LYS 20 HB2 LYS 20 -16.670 -3.365 3.668 109 2HB LYS 20 HB1 LYS 20 -15.515 -3.700 2.375 110 1HG LYS 20 HG2 LYS 20 -14.130 -4.769 4.392 111 2HG LYS 20 HG1 LYS 20 -15.744 -4.946 5.081 112 1HD LYS 20 HD2 LYS 20 -15.192 -6.953 3.811 113 2HD LYS 20 HD1 LYS 20 -16.476 -6.076 2.981 114 1HE LYS 20 HE2 LYS 20 -15.158 -5.593 1.190 115 2HE LYS 20 HE1 LYS 20 -13.747 -5.273 2.198 116 1HZ LYS 20 HZ1 LYS 20 -14.686 -7.799 1.058 117 2HZ LYS 20 HZ2 LYS 20 -13.898 -7.850 2.561 118 3HZ LYS 20 HZ3 LYS 20 -13.106 -7.201 1.205 119 H LEU 21 H LEU 21 -14.766 -1.911 1.396 120 HA LEU 21 HA LEU 21 -15.166 0.970 1.570 121 1HB LEU 21 HB2 LEU 21 -14.795 -1.028 -0.623 122 2HB LEU 21 HB1 LEU 21 -15.503 0.536 -1.029 123 HG LEU 21 HG LEU 21 -13.374 1.189 0.644 124 1HD1 LEU 21 1HD1 LEU 21 -11.827 -0.438 0.518 125 2HD1 LEU 21 2HD1 LEU 21 -11.798 -0.255 -1.235 126 3HD1 LEU 21 3HD1 LEU 21 -12.905 -1.405 -0.488 127 1HD2 LEU 21 1HD2 LEU 21 -14.280 1.664 -2.005 128 2HD2 LEU 21 2HD2 LEU 21 -12.567 1.256 -2.122 129 3HD2 LEU 21 3HD2 LEU 21 -13.087 2.592 -1.095 130 H ARG 22 H ARG 22 -17.088 2.024 1.539 131 HA ARG 22 HA ARG 22 -19.565 0.473 1.499 132 1HB ARG 22 HB2 ARG 22 -18.715 3.093 2.380 133 2HB ARG 22 HB1 ARG 22 -20.181 3.223 1.409 134 1HG ARG 22 HG2 ARG 22 -20.263 0.964 3.268 135 2HG ARG 22 HG1 ARG 22 -20.082 2.514 4.090 136 1HD ARG 22 HD2 ARG 22 -22.020 3.404 2.850 137 2HD ARG 22 HD1 ARG 22 -22.205 1.855 2.027 138 HE ARG 22 HE ARG 22 -22.252 1.320 4.801 139 1HH1 ARG 22 1HH2 ARG 22 -24.253 1.718 2.172 140 2HH1 ARG 22 2HH2 ARG 22 -25.673 2.129 3.074 141 1HH2 ARG 22 1HH1 ARG 22 -23.992 2.438 6.092 142 2HH2 ARG 22 2HH1 ARG 22 -25.526 2.535 5.292 143 HA PRO 23 HA PRO 23 -20.280 2.992 -2.494 144 1HB PRO 23 HB2 PRO 23 -18.188 4.507 -3.438 145 2HB PRO 23 HB1 PRO 23 -19.414 5.117 -2.315 146 1HG PRO 23 HG2 PRO 23 -16.582 4.371 -1.775 147 2HG PRO 23 HG1 PRO 23 -17.630 5.503 -0.904 148 1HD PRO 23 HD2 PRO 23 -16.984 2.859 -0.103 149 2HD PRO 23 HD1 PRO 23 -18.247 3.889 0.605 150 H GLY 24 H GLY 24 -18.639 3.309 -4.791 151 1HA GLY 24 HA2 GLY 24 -17.887 0.485 -5.253 152 2HA GLY 24 HA1 GLY 24 -18.109 1.711 -6.502 153 H ALA 25 H ALA 25 -16.244 2.740 -3.810 154 HA ALA 25 HA ALA 25 -13.905 3.157 -5.435 155 1HB ALA 25 HB1 ALA 25 -12.876 3.461 -3.006 156 2HB ALA 25 HB2 ALA 25 -14.573 3.439 -2.526 157 3HB ALA 25 HB3 ALA 25 -13.993 4.657 -3.662 158 H GLN 26 H GLN 26 -11.916 2.013 -5.413 159 HA GLN 26 HA GLN 26 -12.182 -0.838 -4.747 160 1HB GLN 26 HB2 GLN 26 -10.701 0.696 -6.624 161 2HB GLN 26 HB1 GLN 26 -9.529 -0.117 -5.586 162 1HG GLN 26 HG2 GLN 26 -9.915 -1.784 -7.149 163 2HG GLN 26 HG1 GLN 26 -11.144 -2.183 -5.951 164 1HE2 GLN 26 1HE2 GLN 26 -10.693 -1.596 -9.245 165 2HE2 GLN 26 2HE2 GLN 26 -12.300 -1.242 -9.664 166 H CYS 27 H CYS 27 -10.705 2.017 -3.428 167 HA CYS 27 HA CYS 27 -9.858 0.461 -1.066 168 1HB CYS 27 HB2 CYS 27 -7.792 0.355 -2.198 169 2HB CYS 27 HB1 CYS 27 -7.982 1.959 -2.895 170 H GLY 28 H GLY 28 -10.682 1.591 0.632 171 1HA GLY 28 HA2 GLY 28 -11.651 4.286 0.321 172 2HA GLY 28 HA1 GLY 28 -11.585 3.399 1.843 173 H GLU 29 H GLU 29 -8.665 2.888 1.520 174 HA GLU 29 HA GLU 29 -7.339 5.467 1.401 175 1HB GLU 29 HB2 GLU 29 -8.577 5.564 3.607 176 2HB GLU 29 HB1 GLU 29 -7.594 4.202 4.143 177 1HG GLU 29 HG2 GLU 29 -5.654 5.851 3.204 178 2HG GLU 29 HG1 GLU 29 -6.837 7.039 3.746 179 H GLY 30 H GLY 30 -5.030 5.218 1.585 180 1HA GLY 30 HA2 GLY 30 -3.534 3.110 2.531 181 2HA GLY 30 HA1 GLY 30 -4.112 2.513 0.976 182 H LEU 31 H LEU 31 -1.502 2.674 0.970 183 HA LEU 31 HA LEU 31 -0.476 5.329 0.322 184 1HB LEU 31 HB2 LEU 31 0.621 2.559 0.478 185 2HB LEU 31 HB1 LEU 31 1.479 3.710 -0.547 186 HG LEU 31 HG LEU 31 2.313 3.678 1.816 187 1HD1 LEU 31 1HD1 LEU 31 1.580 6.322 2.044 188 2HD1 LEU 31 2HD1 LEU 31 1.326 6.015 0.325 189 3HD1 LEU 31 3HD1 LEU 31 2.909 5.730 1.048 190 1HD2 LEU 31 1HD2 LEU 31 0.192 3.218 2.948 191 2HD2 LEU 31 2HD2 LEU 31 -0.476 4.744 2.367 192 3HD2 LEU 31 3HD2 LEU 31 0.848 4.747 3.532 193 H CYS 32 H CYS 32 -1.283 2.385 -1.531 194 HA CYS 32 HA CYS 32 -0.815 3.907 -4.041 195 1HB CYS 32 HB2 CYS 32 -1.612 1.006 -3.894 196 2HB CYS 32 HB1 CYS 32 -0.697 1.839 -5.151 197 H CYS 33 H CYS 33 -3.064 4.709 -2.523 198 HA CYS 33 HA CYS 33 -5.317 3.622 -4.166 199 1HB CYS 33 HB2 CYS 33 -5.442 5.013 -1.470 200 2HB CYS 33 HB1 CYS 33 -6.812 4.344 -2.357 201 H GLU 34 H GLU 34 -5.355 5.031 -5.895 202 HA GLU 34 HA GLU 34 -5.090 7.937 -5.390 203 1HB GLU 34 HB2 GLU 34 -4.984 6.173 -7.811 204 2HB GLU 34 HB1 GLU 34 -5.401 7.874 -8.018 205 1HG GLU 34 HG2 GLU 34 -3.331 8.453 -6.688 206 2HG GLU 34 HG1 GLU 34 -2.887 6.748 -6.760 207 H GLN 35 H GLN 35 -6.945 8.973 -4.864 208 HA GLN 35 HA GLN 35 -9.194 9.619 -4.908 209 1HB GLN 35 HB2 GLN 35 -9.304 8.216 -7.587 210 2HB GLN 35 HB1 GLN 35 -10.326 9.539 -7.026 211 1HG GLN 35 HG2 GLN 35 -8.829 11.070 -7.714 212 2HG GLN 35 HG1 GLN 35 -7.536 10.273 -6.818 213 1HE2 GLN 35 1HE2 GLN 35 -6.018 10.576 -8.622 214 2HE2 GLN 35 2HE2 GLN 35 -6.147 9.644 -10.034 215 H CYS 36 H CYS 36 -8.627 7.273 -3.514 216 HA CYS 36 HA CYS 36 -9.744 5.447 -2.565 217 1HB CYS 36 HB2 CYS 36 -11.927 6.939 -3.966 218 2HB CYS 36 HB1 CYS 36 -12.270 5.311 -3.387 219 H LYS 37 H LYS 37 -8.403 5.313 -5.271 220 HA LYS 37 HA LYS 37 -9.760 2.811 -6.193 221 1HB LYS 37 HB2 LYS 37 -8.734 5.149 -7.765 222 2HB LYS 37 HB1 LYS 37 -8.637 3.538 -8.477 223 1HG LYS 37 HG2 LYS 37 -11.110 3.278 -7.859 224 2HG LYS 37 HG1 LYS 37 -11.107 5.016 -7.555 225 1HD LYS 37 HD2 LYS 37 -10.803 5.549 -9.787 226 2HD LYS 37 HD1 LYS 37 -9.965 4.036 -10.141 227 1HE LYS 37 HE2 LYS 37 -12.904 4.137 -9.430 228 2HE LYS 37 HE1 LYS 37 -12.324 4.244 -11.093 229 1HZ LYS 37 HZ1 LYS 37 -11.624 2.039 -9.236 230 2HZ LYS 37 HZ2 LYS 37 -11.295 2.124 -10.901 231 3HZ LYS 37 HZ3 LYS 37 -12.896 1.960 -10.354 232 H PHE 38 H PHE 38 -8.307 1.173 -7.009 233 HA PHE 38 HA PHE 38 -5.796 1.035 -5.596 234 1HB PHE 38 HB2 PHE 38 -7.040 -0.637 -7.784 235 2HB PHE 38 HB1 PHE 38 -5.436 -0.990 -7.143 236 HD1 PHE 38 HD2 PHE 38 -5.963 -0.166 -4.244 237 HD2 PHE 38 HD1 PHE 38 -8.221 -2.550 -7.013 238 HE1 PHE 38 HE2 PHE 38 -7.008 -1.379 -2.352 239 HE2 PHE 38 HE1 PHE 38 -9.262 -3.764 -5.119 240 HZ PHE 38 HZ PHE 38 -8.655 -3.178 -2.787 241 H SER 39 H SER 39 -3.979 2.119 -6.182 242 HA SER 39 HA SER 39 -3.639 3.590 -8.560 243 1HB SER 39 HB2 SER 39 -1.909 2.666 -6.369 244 2HB SER 39 HB1 SER 39 -1.057 2.883 -7.896 245 HG SER 39 HG SER 39 -1.112 4.920 -7.385 246 H ARG 40 H ARG 40 -1.395 2.876 -9.909 247 HA ARG 40 HA ARG 40 -2.140 0.219 -11.062 248 1HB ARG 40 HB2 ARG 40 -1.459 2.813 -12.258 249 2HB ARG 40 HB1 ARG 40 -0.553 1.467 -12.949 250 1HG ARG 40 HG2 ARG 40 -2.509 0.338 -13.627 251 2HG ARG 40 HG1 ARG 40 -3.533 1.273 -12.535 252 1HD ARG 40 HD2 ARG 40 -3.637 3.078 -13.954 253 2HD ARG 40 HD1 ARG 40 -2.020 2.795 -14.601 254 HE ARG 40 HE ARG 40 -2.966 1.118 -16.094 255 1HH1 ARG 40 1HH1 ARG 40 -4.964 3.633 -15.265 256 2HH1 ARG 40 2HH1 ARG 40 -6.449 2.857 -15.703 257 1HH2 ARG 40 1HH2 ARG 40 -4.992 -0.255 -16.170 258 2HH2 ARG 40 2HH2 ARG 40 -6.464 0.656 -16.219 259 H ALA 41 H ALA 41 -0.410 -1.214 -11.637 260 HA ALA 41 HA ALA 41 1.699 -1.473 -9.826 261 1HB ALA 41 HB1 ALA 41 2.407 -2.325 -12.554 262 2HB ALA 41 HB2 ALA 41 0.831 -2.901 -12.012 263 3HB ALA 41 HB3 ALA 41 2.277 -3.279 -11.076 264 H GLY 42 H GLY 42 4.057 -1.149 -10.195 265 1HA GLY 42 HA2 GLY 42 5.885 0.210 -10.784 266 2HA GLY 42 HA1 GLY 42 4.959 0.750 -12.183 267 H LYS 43 H LYS 43 3.643 0.946 -8.945 268 HA LYS 43 HA LYS 43 3.774 3.929 -9.197 269 1HB LYS 43 HB2 LYS 43 1.501 3.028 -9.037 270 2HB LYS 43 HB1 LYS 43 1.926 2.178 -7.552 271 1HG LYS 43 HG2 LYS 43 0.731 4.367 -7.173 272 2HG LYS 43 HG1 LYS 43 2.305 4.259 -6.384 273 1HD LYS 43 HD2 LYS 43 3.256 5.825 -7.762 274 2HD LYS 43 HD1 LYS 43 2.294 5.332 -9.156 275 1HE LYS 43 HE2 LYS 43 0.479 6.647 -8.542 276 2HE LYS 43 HE1 LYS 43 0.916 6.632 -6.833 277 1HZ LYS 43 HZ1 LYS 43 2.245 8.138 -9.015 278 2HZ LYS 43 HZ2 LYS 43 2.888 7.989 -7.449 279 3HZ LYS 43 HZ3 LYS 43 1.402 8.776 -7.689 280 H ILE 44 H ILE 44 5.271 4.890 -7.933 281 HA ILE 44 HA ILE 44 6.727 3.510 -5.889 282 HB ILE 44 HB ILE 44 7.727 5.424 -6.988 283 1HG1 ILE 44 2HG1 ILE 44 8.320 6.815 -4.986 284 2HG1 ILE 44 1HG1 ILE 44 7.053 5.984 -4.084 285 1HG2 ILE 44 1HG2 ILE 44 6.795 7.703 -6.638 286 2HG2 ILE 44 2HG2 ILE 44 5.418 6.991 -5.800 287 3HG2 ILE 44 3HG2 ILE 44 5.676 6.658 -7.512 288 1HD1 ILE 44 1HD1 ILE 44 8.463 3.888 -5.202 289 2HD1 ILE 44 2HD1 ILE 44 8.660 4.476 -3.552 290 3HD1 ILE 44 3HD1 ILE 44 9.736 5.049 -4.827 291 H CYS 45 H CYS 45 6.031 3.011 -3.872 292 HA CYS 45 HA CYS 45 3.810 4.659 -2.727 293 1HB CYS 45 HB2 CYS 45 3.780 2.441 -1.166 294 2HB CYS 45 HB1 CYS 45 2.806 2.609 -2.622 295 H ARG 46 H ARG 46 7.091 3.815 -2.387 296 HA ARG 46 HA ARG 46 7.296 5.435 0.033 297 1HB ARG 46 HB2 ARG 46 6.896 2.688 0.399 298 2HB ARG 46 HB1 ARG 46 8.636 2.909 0.585 299 1HG ARG 46 HG2 ARG 46 8.404 4.091 2.514 300 2HG ARG 46 HG1 ARG 46 7.004 4.977 1.910 301 1HD ARG 46 HD2 ARG 46 6.011 2.417 2.147 302 2HD ARG 46 HD1 ARG 46 7.107 2.524 3.525 303 HE ARG 46 HE ARG 46 4.569 3.778 3.400 304 1HH1 ARG 46 1HH2 ARG 46 6.772 3.554 5.647 305 2HH1 ARG 46 2HH2 ARG 46 6.889 5.225 6.090 306 1HH2 ARG 46 1HH1 ARG 46 5.181 6.359 3.292 307 2HH2 ARG 46 2HH1 ARG 46 5.990 6.814 4.755 308 H ILE 47 H ILE 47 8.780 6.717 -0.980 309 HA ILE 47 HA ILE 47 10.819 5.956 -2.748 310 HB ILE 47 HB ILE 47 10.076 8.290 -1.221 311 1HG1 ILE 47 2HG1 ILE 47 11.767 7.825 -3.690 312 2HG1 ILE 47 1HG1 ILE 47 10.045 8.202 -3.636 313 1HG2 ILE 47 1HG2 ILE 47 12.107 8.018 0.076 314 2HG2 ILE 47 2HG2 ILE 47 12.355 9.324 -1.082 315 3HG2 ILE 47 3HG2 ILE 47 13.051 7.733 -1.385 316 1HD1 ILE 47 1HD1 ILE 47 12.389 9.988 -3.215 317 2HD1 ILE 47 2HD1 ILE 47 10.966 10.287 -2.218 318 3HD1 ILE 47 3HD1 ILE 47 10.836 10.332 -3.976 319 HA PRO 48 HA PRO 48 13.796 3.883 -0.264 320 1HB PRO 48 HB2 PRO 48 16.055 4.473 -1.716 321 2HB PRO 48 HB1 PRO 48 14.839 3.294 -2.237 322 1HG PRO 48 HG2 PRO 48 15.339 6.052 -3.257 323 2HG PRO 48 HG1 PRO 48 14.636 4.657 -4.092 324 1HD PRO 48 HD2 PRO 48 13.195 6.839 -3.017 325 2HD PRO 48 HD1 PRO 48 12.501 5.291 -3.541 326 H ARG 49 H ARG 49 14.295 4.773 1.729 327 HA ARG 49 HA ARG 49 15.567 7.457 1.810 328 1HB ARG 49 HB2 ARG 49 13.849 5.894 3.600 329 2HB ARG 49 HB1 ARG 49 15.212 6.644 4.431 330 1HG ARG 49 HG2 ARG 49 14.527 8.800 3.902 331 2HG ARG 49 HG1 ARG 49 13.638 8.277 2.471 332 1HD ARG 49 HD2 ARG 49 11.973 8.831 4.089 333 2HD ARG 49 HD1 ARG 49 12.052 7.069 4.075 334 HE ARG 49 HE ARG 49 13.691 8.503 6.091 335 1HH1 ARG 49 1HH2 ARG 49 10.469 7.739 5.731 336 2HH1 ARG 49 2HH2 ARG 49 10.363 6.709 7.121 337 1HH2 ARG 49 1HH1 ARG 49 13.785 6.671 7.681 338 2HH2 ARG 49 2HH1 ARG 49 12.241 6.105 8.225 339 H GLY 50 H GLY 50 17.212 5.358 0.853 340 1HA GLY 50 HA2 GLY 50 19.650 5.415 1.560 341 2HA GLY 50 HA1 GLY 50 19.072 4.970 3.166 342 H GLU 51 H GLU 51 19.278 2.830 3.600 343 HA GLU 51 HA GLU 51 20.010 0.903 1.612 344 1HB GLU 51 HB2 GLU 51 20.308 0.862 4.217 345 2HB GLU 51 HB1 GLU 51 18.711 0.111 4.205 346 1HG GLU 51 HG2 GLU 51 20.305 -1.681 4.119 347 2HG GLU 51 HG1 GLU 51 19.623 -1.538 2.500 348 H MET 52 H MET 52 16.969 2.180 2.553 349 HA MET 52 HA MET 52 15.416 -0.138 1.658 350 1HB MET 52 HB2 MET 52 14.501 1.276 3.424 351 2HB MET 52 HB1 MET 52 14.590 2.690 2.370 352 1HG MET 52 HG2 MET 52 12.408 2.140 1.939 353 2HG MET 52 HG1 MET 52 13.153 1.033 0.785 354 1HE MET 52 HE1 MET 52 12.084 1.585 4.391 355 2HE MET 52 HE2 MET 52 11.077 0.180 4.732 356 3HE MET 52 HE3 MET 52 10.595 1.316 3.475 357 HA PRO 53 HA PRO 53 15.720 1.311 -2.568 358 1HB PRO 53 HB2 PRO 53 14.448 -0.868 -3.658 359 2HB PRO 53 HB1 PRO 53 16.155 -0.869 -3.180 360 1HG PRO 53 HG2 PRO 53 13.825 -2.135 -1.816 361 2HG PRO 53 HG1 PRO 53 15.535 -2.598 -1.778 362 1HD PRO 53 HD2 PRO 53 14.156 -1.193 0.254 363 2HD PRO 53 HD1 PRO 53 15.920 -1.364 0.115 364 H ASP 54 H ASP 54 14.122 1.890 -4.257 365 HA ASP 54 HA ASP 54 11.850 3.229 -3.335 366 1HB ASP 54 HB2 ASP 54 12.138 1.915 -6.052 367 2HB ASP 54 HB1 ASP 54 11.097 3.283 -5.653 368 H ASP 55 H ASP 55 9.548 2.698 -3.562 369 HA ASP 55 HA ASP 55 9.026 -0.242 -3.350 370 1HB ASP 55 HB2 ASP 55 8.243 2.027 -1.621 371 2HB ASP 55 HB1 ASP 55 6.942 0.901 -2.000 372 H ARG 56 H ARG 56 7.994 -0.840 -5.184 373 HA ARG 56 HA ARG 56 6.200 1.099 -6.561 374 1HB ARG 56 HB2 ARG 56 8.122 -0.775 -7.440 375 2HB ARG 56 HB1 ARG 56 6.553 -1.405 -7.945 376 1HG ARG 56 HG2 ARG 56 7.374 0.049 -9.694 377 2HG ARG 56 HG1 ARG 56 6.025 0.853 -8.896 378 1HD ARG 56 HD2 ARG 56 8.460 2.015 -9.351 379 2HD ARG 56 HD1 ARG 56 7.335 2.524 -8.095 380 HE ARG 56 HE ARG 56 8.822 1.631 -6.487 381 1HH1 ARG 56 1HH1 ARG 56 10.527 1.793 -9.256 382 2HH1 ARG 56 2HH1 ARG 56 11.537 0.414 -8.980 383 1HH2 ARG 56 1HH2 ARG 56 9.686 -0.736 -6.283 384 2HH2 ARG 56 2HH2 ARG 56 11.063 -1.017 -7.295 385 H CYS 57 H CYS 57 4.017 0.791 -6.615 386 HA CYS 57 HA CYS 57 2.861 -1.438 -5.103 387 1HB CYS 57 HB2 CYS 57 1.383 0.565 -6.828 388 2HB CYS 57 HB1 CYS 57 0.740 -0.381 -5.488 389 H THR 58 H THR 58 1.255 -2.903 -6.117 390 HA THR 58 HA THR 58 2.220 -3.816 -8.744 391 HB THR 58 HB THR 58 0.963 -5.817 -8.322 392 HG1 THR 58 HG1 THR 58 -0.139 -4.789 -5.976 393 1HG2 THR 58 1HG2 THR 58 1.675 -6.330 -5.916 394 2HG2 THR 58 2HG2 THR 58 2.270 -4.672 -5.851 395 3HG2 THR 58 3HG2 THR 58 2.952 -5.808 -7.015 396 H GLY 59 H GLY 59 -0.168 -1.705 -7.667 397 1HA GLY 59 HA2 GLY 59 -1.611 -0.519 -9.201 398 2HA GLY 59 HA1 GLY 59 -1.514 -1.891 -10.306 399 H GLN 60 H GLN 60 -1.978 -3.732 -7.929 400 HA GLN 60 HA GLN 60 -4.934 -3.304 -7.776 401 1HB GLN 60 HB2 GLN 60 -4.815 -5.864 -7.183 402 2HB GLN 60 HB1 GLN 60 -4.692 -5.356 -8.868 403 1HG GLN 60 HG2 GLN 60 -2.300 -5.555 -8.845 404 2HG GLN 60 HG1 GLN 60 -2.275 -5.763 -7.093 405 1HE2 GLN 60 1HE2 GLN 60 -1.157 -7.714 -8.923 406 2HE2 GLN 60 2HE2 GLN 60 -2.073 -9.137 -8.780 407 H SER 61 H SER 61 -2.024 -3.423 -5.998 408 HA SER 61 HA SER 61 -3.383 -4.113 -3.457 409 1HB SER 61 HB2 SER 61 -0.569 -3.153 -3.471 410 2HB SER 61 HB1 SER 61 -1.292 -4.498 -2.593 411 HG SER 61 HG SER 61 -1.201 -5.729 -4.419 412 H ALA 62 H ALA 62 -4.323 -2.522 -2.275 413 HA ALA 62 HA ALA 62 -4.078 0.264 -2.957 414 1HB ALA 62 HB1 ALA 62 -5.581 -1.360 -1.071 415 2HB ALA 62 HB2 ALA 62 -5.999 0.199 -1.779 416 3HB ALA 62 HB3 ALA 62 -5.016 0.131 -0.317 417 H ASP 63 H ASP 63 -2.974 -1.516 -0.047 418 HA ASP 63 HA ASP 63 -1.269 0.728 0.741 419 1HB ASP 63 HB2 ASP 63 -1.288 -2.101 1.831 420 2HB ASP 63 HB1 ASP 63 -0.648 -0.662 2.624 421 H CYS 64 H CYS 64 1.133 -0.086 1.381 422 HA CYS 64 HA CYS 64 2.200 -1.523 -1.012 423 1HB CYS 64 HB2 CYS 64 2.621 0.968 -1.025 424 2HB CYS 64 HB1 CYS 64 3.596 0.742 0.426 425 HA PRO 65 HA PRO 65 3.999 -4.079 2.062 426 1HB PRO 65 HB2 PRO 65 5.307 -5.684 0.272 427 2HB PRO 65 HB1 PRO 65 3.583 -5.830 0.618 428 1HG PRO 65 HG2 PRO 65 4.946 -4.755 -1.792 429 2HG PRO 65 HG1 PRO 65 3.302 -5.398 -1.625 430 1HD PRO 65 HD2 PRO 65 4.048 -2.655 -1.746 431 2HD PRO 65 HD1 PRO 65 2.441 -3.302 -1.358 432 H ARG 66 H ARG 66 6.440 -5.107 2.172 433 HA ARG 66 HA ARG 66 8.326 -2.890 1.484 434 1HB ARG 66 HB2 ARG 66 9.472 -3.249 3.601 435 2HB ARG 66 HB1 ARG 66 7.763 -2.960 3.924 436 1HG ARG 66 HG2 ARG 66 8.041 -5.748 3.498 437 2HG ARG 66 HG1 ARG 66 9.347 -5.271 4.584 438 1HD ARG 66 HD2 ARG 66 7.729 -4.159 6.066 439 2HD ARG 66 HD1 ARG 66 6.415 -4.596 4.974 440 HE ARG 66 HE ARG 66 8.061 -6.659 6.386 441 1HH1 ARG 66 1HH2 ARG 66 5.368 -5.417 7.395 442 2HH1 ARG 66 2HH2 ARG 66 4.284 -6.704 6.981 443 1HH2 ARG 66 1HH1 ARG 66 6.553 -8.303 4.902 444 2HH2 ARG 66 2HH1 ARG 66 4.954 -8.337 5.569 445 H TYR 67 H TYR 67 10.313 -3.533 0.659 446 HA TYR 67 HA TYR 67 10.546 -6.417 -0.013 447 1HB TYR 67 HB2 TYR 67 11.587 -3.869 -1.155 448 2HB TYR 67 HB1 TYR 67 12.611 -5.294 -1.325 449 HD1 TYR 67 HD2 TYR 67 11.802 -7.294 -2.538 450 HD2 TYR 67 HD1 TYR 67 9.469 -3.694 -2.318 451 HE1 TYR 67 HE2 TYR 67 10.379 -8.102 -4.402 452 HE2 TYR 67 HE1 TYR 67 8.046 -4.503 -4.182 453 HH TYR 67 HH TYR 67 7.412 -6.668 -5.204 454 H HIS 68 H HIS 68 11.064 -6.514 2.498 455 HA HIS 68 HA HIS 68 12.734 -7.163 4.027 456 1HB HIS 68 HB2 HIS 68 14.789 -6.500 1.916 457 2HB HIS 68 HB1 HIS 68 14.916 -7.664 3.235 458 HD1 HIS 68 HD1 HIS 68 15.115 -8.221 0.028 459 HD2 HIS 68 HD2 HIS 68 11.926 -9.137 2.553 460 HE1 HIS 68 HE1 HIS 68 13.822 -10.083 -1.100 Start of MODEL 3 1 1H GLY 1 HT1 GLY 1 -9.493 -13.267 7.780 2 2H GLY 1 HT2 GLY 1 -8.776 -14.612 7.028 3 3H GLY 1 HT3 GLY 1 -10.457 -14.567 7.272 4 1HA GLY 1 HA1 GLY 1 -9.015 -13.687 5.050 5 2HA GLY 1 HA2 GLY 1 -10.757 -13.610 5.316 6 H LYS 2 H LYS 2 -9.785 -11.537 3.920 7 HA LYS 2 HA LYS 2 -9.034 -9.350 5.752 8 1HB LYS 2 HB2 LYS 2 -9.112 -9.766 2.813 9 2HB LYS 2 HB1 LYS 2 -9.415 -8.120 3.371 10 1HG LYS 2 HG2 LYS 2 -7.153 -7.939 3.436 11 2HG LYS 2 HG1 LYS 2 -7.279 -8.860 4.934 12 1HD LYS 2 HD2 LYS 2 -7.118 -10.967 3.552 13 2HD LYS 2 HD1 LYS 2 -6.756 -9.951 2.157 14 1HE LYS 2 HE2 LYS 2 -4.597 -9.922 2.784 15 2HE LYS 2 HE1 LYS 2 -5.067 -9.066 4.252 16 1HZ LYS 2 HZ1 LYS 2 -5.702 -11.421 5.061 17 2HZ LYS 2 HZ2 LYS 2 -4.071 -10.946 5.081 18 3HZ LYS 2 HZ3 LYS 2 -4.651 -11.948 3.838 19 H GLU 3 H GLU 3 -10.930 -9.064 7.017 20 HA GLU 3 HA GLU 3 -13.455 -8.455 5.574 21 1HB GLU 3 HB2 GLU 3 -14.468 -8.481 7.839 22 2HB GLU 3 HB1 GLU 3 -13.603 -9.979 7.496 23 1HG GLU 3 HG2 GLU 3 -11.662 -9.189 8.753 24 2HG GLU 3 HG1 GLU 3 -12.446 -7.634 9.035 25 H CYS 4 H CYS 4 -10.892 -6.697 5.962 26 HA CYS 4 HA CYS 4 -12.441 -4.266 6.725 27 1HB CYS 4 HB2 CYS 4 -9.870 -5.270 7.853 28 2HB CYS 4 HB1 CYS 4 -9.985 -3.536 7.554 29 H ASP 5 H ASP 5 -12.380 -2.821 5.074 30 HA ASP 5 HA ASP 5 -10.211 -3.105 3.050 31 1HB ASP 5 HB2 ASP 5 -13.029 -2.641 2.869 32 2HB ASP 5 HB1 ASP 5 -12.199 -1.221 2.234 33 H CYS 6 H CYS 6 -10.880 -1.323 5.758 34 HA CYS 6 HA CYS 6 -8.985 0.774 4.938 35 1HB CYS 6 HB2 CYS 6 -10.416 2.634 5.377 36 2HB CYS 6 HB1 CYS 6 -11.349 1.561 4.337 37 H SER 7 H SER 7 -8.027 1.816 6.791 38 HA SER 7 HA SER 7 -8.391 0.247 9.286 39 1HB SER 7 HB2 SER 7 -6.096 0.620 8.260 40 2HB SER 7 HB1 SER 7 -6.265 2.318 8.694 41 HG SER 7 HG SER 7 -5.254 0.648 10.231 42 H SER 8 H SER 8 -9.512 3.104 7.955 43 HA SER 8 HA SER 8 -9.658 4.457 10.605 44 1HB SER 8 HB2 SER 8 -9.322 5.398 7.909 45 2HB SER 8 HB1 SER 8 -10.799 6.084 8.580 46 HG SER 8 HG SER 8 -9.598 6.831 10.332 47 HA PRO 9 HA PRO 9 -13.893 3.080 10.671 48 1HB PRO 9 HB2 PRO 9 -14.519 4.256 13.075 49 2HB PRO 9 HB1 PRO 9 -13.614 2.738 12.935 50 1HG PRO 9 HG2 PRO 9 -12.616 5.460 13.631 51 2HG PRO 9 HG1 PRO 9 -11.953 3.876 14.068 52 1HD PRO 9 HD2 PRO 9 -10.973 5.584 12.032 53 2HD PRO 9 HD1 PRO 9 -10.535 3.879 12.267 54 H GLU 10 H GLU 10 -12.755 6.315 10.532 55 HA GLU 10 HA GLU 10 -15.524 7.393 10.283 56 1HB GLU 10 HB2 GLU 10 -14.293 9.627 10.280 57 2HB GLU 10 HB1 GLU 10 -14.197 8.709 11.782 58 1HG GLU 10 HG2 GLU 10 -11.970 8.180 11.483 59 2HG GLU 10 HG1 GLU 10 -12.088 8.226 9.723 60 H ASN 11 H ASN 11 -12.742 6.509 8.444 61 HA ASN 11 HA ASN 11 -12.728 8.166 6.239 62 1HB ASN 11 HB2 ASN 11 -11.575 5.800 6.745 63 2HB ASN 11 HB1 ASN 11 -12.837 5.244 5.645 64 1HD2 ASN 11 1HD2 ASN 11 -9.720 5.859 5.429 65 2HD2 ASN 11 2HD2 ASN 11 -9.622 6.681 3.947 66 HA PRO 12 HA PRO 12 -16.958 7.815 4.861 67 1HB PRO 12 HB2 PRO 12 -16.696 9.583 2.769 68 2HB PRO 12 HB1 PRO 12 -16.902 10.088 4.456 69 1HG PRO 12 HG2 PRO 12 -14.439 10.123 2.774 70 2HG PRO 12 HG1 PRO 12 -14.872 11.149 4.152 71 1HD PRO 12 HD2 PRO 12 -13.087 8.960 4.225 72 2HD PRO 12 HD1 PRO 12 -13.807 9.763 5.637 73 H CYS 13 H CYS 13 -14.134 6.772 3.347 74 HA CYS 13 HA CYS 13 -15.470 5.909 0.852 75 1HB CYS 13 HB2 CYS 13 -12.719 6.338 1.743 76 2HB CYS 13 HB1 CYS 13 -12.915 4.808 0.888 77 H CYS 14 H CYS 14 -15.277 4.774 3.964 78 HA CYS 14 HA CYS 14 -15.862 2.026 3.042 79 1HB CYS 14 HB2 CYS 14 -14.261 0.963 4.456 80 2HB CYS 14 HB1 CYS 14 -13.377 2.213 3.584 81 H ASP 15 H ASP 15 -17.239 0.914 4.391 82 HA ASP 15 HA ASP 15 -18.811 2.508 6.239 83 1HB ASP 15 HB2 ASP 15 -19.434 0.435 4.683 84 2HB ASP 15 HB1 ASP 15 -19.016 -0.469 6.135 85 H ALA 16 H ALA 16 -18.618 2.590 8.446 86 HA ALA 16 HA ALA 16 -16.318 1.282 9.695 87 1HB ALA 16 HB1 ALA 16 -18.129 2.458 11.606 88 2HB ALA 16 HB2 ALA 16 -17.923 3.553 10.238 89 3HB ALA 16 HB3 ALA 16 -16.515 2.996 11.142 90 H ALA 17 H ALA 17 -19.735 0.690 9.385 91 HA ALA 17 HA ALA 17 -20.064 -1.024 11.669 92 1HB ALA 17 HB1 ALA 17 -21.796 -1.991 9.707 93 2HB ALA 17 HB2 ALA 17 -21.600 -0.287 9.296 94 3HB ALA 17 HB3 ALA 17 -22.174 -0.747 10.899 95 H THR 18 H THR 18 -19.170 -1.655 8.280 96 HA THR 18 HA THR 18 -18.504 -4.455 9.068 97 HB THR 18 HB THR 18 -19.962 -4.512 7.200 98 HG1 THR 18 HG1 THR 18 -18.674 -5.732 6.104 99 1HG2 THR 18 1HG2 THR 18 -18.305 -2.198 6.191 100 2HG2 THR 18 2HG2 THR 18 -20.035 -2.231 6.533 101 3HG2 THR 18 3HG2 THR 18 -19.395 -3.099 5.137 102 H CYS 19 H CYS 19 -17.045 -1.498 8.742 103 HA CYS 19 HA CYS 19 -14.800 -0.851 8.489 104 1HB CYS 19 HB2 CYS 19 -14.480 -2.584 10.225 105 2HB CYS 19 HB1 CYS 19 -14.364 -3.817 8.972 106 H LYS 20 H LYS 20 -16.420 -1.851 6.143 107 HA LYS 20 HA LYS 20 -14.101 -2.568 4.391 108 1HB LYS 20 HB2 LYS 20 -16.910 -3.600 4.469 109 2HB LYS 20 HB1 LYS 20 -16.075 -3.525 2.917 110 1HG LYS 20 HG2 LYS 20 -14.199 -4.598 4.708 111 2HG LYS 20 HG1 LYS 20 -15.720 -5.405 5.094 112 1HD LYS 20 HD2 LYS 20 -15.169 -6.764 3.352 113 2HD LYS 20 HD1 LYS 20 -15.792 -5.441 2.365 114 1HE LYS 20 HE2 LYS 20 -13.657 -5.858 1.450 115 2HE LYS 20 HE1 LYS 20 -13.395 -4.473 2.509 116 1HZ LYS 20 HZ1 LYS 20 -11.699 -5.921 3.076 117 2HZ LYS 20 HZ2 LYS 20 -12.684 -7.300 2.955 118 3HZ LYS 20 HZ3 LYS 20 -12.866 -6.236 4.266 119 H LEU 21 H LEU 21 -14.849 -2.045 1.956 120 HA LEU 21 HA LEU 21 -15.157 0.823 1.852 121 1HB LEU 21 HB2 LEU 21 -14.938 -1.378 -0.161 122 2HB LEU 21 HB1 LEU 21 -15.514 0.201 -0.697 123 HG LEU 21 HG LEU 21 -13.178 0.371 1.067 124 1HD1 LEU 21 1HD1 LEU 21 -13.130 -1.746 -0.754 125 2HD1 LEU 21 2HD1 LEU 21 -11.728 -0.994 0.010 126 3HD1 LEU 21 3HD1 LEU 21 -12.269 -0.445 -1.577 127 1HD2 LEU 21 1HD2 LEU 21 -14.441 1.800 -1.043 128 2HD2 LEU 21 2HD2 LEU 21 -12.812 1.402 -1.594 129 3HD2 LEU 21 3HD2 LEU 21 -13.041 2.298 -0.092 130 H ARG 22 H ARG 22 -16.988 2.023 1.571 131 HA ARG 22 HA ARG 22 -19.569 0.618 1.657 132 1HB ARG 22 HB2 ARG 22 -18.603 3.079 2.628 133 2HB ARG 22 HB1 ARG 22 -19.799 3.487 1.396 134 1HG ARG 22 HG2 ARG 22 -21.027 1.416 2.731 135 2HG ARG 22 HG1 ARG 22 -20.178 2.247 4.035 136 1HD ARG 22 HD2 ARG 22 -21.160 4.415 3.114 137 2HD ARG 22 HD1 ARG 22 -22.198 3.406 2.106 138 HE ARG 22 HE ARG 22 -23.359 2.688 4.079 139 1HH1 ARG 22 1HH1 ARG 22 -20.340 3.900 5.039 140 2HH1 ARG 22 2HH1 ARG 22 -20.906 4.574 6.531 141 1HH2 ARG 22 1HH2 ARG 22 -24.245 3.907 5.868 142 2HH2 ARG 22 2HH2 ARG 22 -23.119 4.579 7.000 143 HA PRO 23 HA PRO 23 -20.116 2.958 -2.459 144 1HB PRO 23 HB2 PRO 23 -17.974 4.384 -3.429 145 2HB PRO 23 HB1 PRO 23 -19.202 5.071 -2.351 146 1HG PRO 23 HG2 PRO 23 -16.397 4.285 -1.737 147 2HG PRO 23 HG1 PRO 23 -17.433 5.472 -0.926 148 1HD PRO 23 HD2 PRO 23 -16.858 2.847 -0.020 149 2HD PRO 23 HD1 PRO 23 -18.099 3.937 0.635 150 H GLY 24 H GLY 24 -18.510 3.093 -4.762 151 1HA GLY 24 HA2 GLY 24 -17.770 0.250 -5.059 152 2HA GLY 24 HA1 GLY 24 -17.937 1.416 -6.371 153 H ALA 25 H ALA 25 -16.118 2.515 -3.670 154 HA ALA 25 HA ALA 25 -13.730 2.834 -5.250 155 1HB ALA 25 HB1 ALA 25 -13.479 4.340 -3.580 156 2HB ALA 25 HB2 ALA 25 -12.943 2.991 -2.578 157 3HB ALA 25 HB3 ALA 25 -14.633 3.494 -2.550 158 H GLN 26 H GLN 26 -12.067 1.401 -5.562 159 HA GLN 26 HA GLN 26 -12.300 -1.308 -4.571 160 1HB GLN 26 HB2 GLN 26 -10.673 0.143 -6.486 161 2HB GLN 26 HB1 GLN 26 -9.676 -0.937 -5.510 162 1HG GLN 26 HG2 GLN 26 -10.383 -2.638 -6.808 163 2HG GLN 26 HG1 GLN 26 -11.992 -2.415 -6.117 164 1HE2 GLN 26 1HE2 GLN 26 -9.935 -1.589 -8.896 165 2HE2 GLN 26 2HE2 GLN 26 -11.202 -1.053 -9.891 166 H CYS 27 H CYS 27 -11.190 1.513 -3.129 167 HA CYS 27 HA CYS 27 -10.179 0.106 -0.825 168 1HB CYS 27 HB2 CYS 27 -7.842 0.921 -0.936 169 2HB CYS 27 HB1 CYS 27 -8.205 -0.185 -2.260 170 H GLY 28 H GLY 28 -9.796 1.569 0.938 171 1HA GLY 28 HA2 GLY 28 -10.951 4.266 0.453 172 2HA GLY 28 HA1 GLY 28 -10.859 3.467 2.020 173 H GLU 29 H GLU 29 -8.017 2.638 1.330 174 HA GLU 29 HA GLU 29 -6.504 5.098 1.080 175 1HB GLU 29 HB2 GLU 29 -5.724 5.304 3.339 176 2HB GLU 29 HB1 GLU 29 -7.483 5.240 3.413 177 1HG GLU 29 HG2 GLU 29 -7.236 3.542 4.880 178 2HG GLU 29 HG1 GLU 29 -6.724 2.565 3.506 179 H GLY 30 H GLY 30 -4.100 4.593 1.736 180 1HA GLY 30 HA2 GLY 30 -2.862 2.243 2.192 181 2HA GLY 30 HA1 GLY 30 -3.463 1.961 0.557 182 H LEU 31 H LEU 31 -0.797 1.879 0.738 183 HA LEU 31 HA LEU 31 0.429 4.513 0.403 184 1HB LEU 31 HB2 LEU 31 1.426 1.675 0.082 185 2HB LEU 31 HB1 LEU 31 2.425 3.068 -0.333 186 HG LEU 31 HG LEU 31 1.393 3.713 2.169 187 1HD1 LEU 31 1HD1 LEU 31 1.288 1.858 3.499 188 2HD1 LEU 31 2HD1 LEU 31 2.572 1.031 2.619 189 3HD1 LEU 31 3HD1 LEU 31 0.929 1.041 1.978 190 1HD2 LEU 31 1HD2 LEU 31 3.606 4.297 1.827 191 2HD2 LEU 31 2HD2 LEU 31 4.002 2.756 1.066 192 3HD2 LEU 31 3HD2 LEU 31 3.838 2.857 2.819 193 H CYS 32 H CYS 32 -1.160 2.226 -1.637 194 HA CYS 32 HA CYS 32 -0.344 3.861 -3.996 195 1HB CYS 32 HB2 CYS 32 -0.728 0.874 -4.162 196 2HB CYS 32 HB1 CYS 32 0.055 1.947 -5.325 197 H CYS 33 H CYS 33 -2.587 4.674 -3.080 198 HA CYS 33 HA CYS 33 -4.641 3.448 -4.828 199 1HB CYS 33 HB2 CYS 33 -4.638 3.302 -1.913 200 2HB CYS 33 HB1 CYS 33 -6.075 4.117 -2.526 201 H GLU 34 H GLU 34 -5.413 5.111 -6.024 202 HA GLU 34 HA GLU 34 -5.434 7.828 -4.782 203 1HB GLU 34 HB2 GLU 34 -3.946 7.754 -6.697 204 2HB GLU 34 HB1 GLU 34 -5.190 6.990 -7.686 205 1HG GLU 34 HG2 GLU 34 -6.166 8.973 -8.152 206 2HG GLU 34 HG1 GLU 34 -6.136 9.462 -6.457 207 H GLN 35 H GLN 35 -7.395 8.837 -4.621 208 HA GLN 35 HA GLN 35 -9.700 9.195 -4.837 209 1HB GLN 35 HB2 GLN 35 -8.880 8.027 -7.423 210 2HB GLN 35 HB1 GLN 35 -10.589 7.831 -7.035 211 1HG GLN 35 HG2 GLN 35 -10.163 10.438 -6.305 212 2HG GLN 35 HG1 GLN 35 -9.081 10.280 -7.690 213 1HE2 GLN 35 1HE2 GLN 35 -12.489 9.699 -6.706 214 2HE2 GLN 35 2HE2 GLN 35 -13.132 9.896 -8.265 215 H CYS 36 H CYS 36 -8.647 6.949 -3.314 216 HA CYS 36 HA CYS 36 -9.475 5.075 -2.176 217 1HB CYS 36 HB2 CYS 36 -12.004 6.154 -3.430 218 2HB CYS 36 HB1 CYS 36 -12.004 4.725 -2.400 219 H LYS 37 H LYS 37 -8.503 4.920 -5.032 220 HA LYS 37 HA LYS 37 -9.790 2.297 -5.668 221 1HB LYS 37 HB2 LYS 37 -9.783 4.652 -7.265 222 2HB LYS 37 HB1 LYS 37 -8.698 3.496 -8.038 223 1HG LYS 37 HG2 LYS 37 -10.424 2.213 -8.705 224 2HG LYS 37 HG1 LYS 37 -11.095 2.175 -7.074 225 1HD LYS 37 HD2 LYS 37 -12.500 3.952 -7.458 226 2HD LYS 37 HD1 LYS 37 -11.386 4.723 -8.589 227 1HE LYS 37 HE2 LYS 37 -12.019 2.406 -9.922 228 2HE LYS 37 HE1 LYS 37 -13.538 2.780 -9.106 229 1HZ LYS 37 HZ1 LYS 37 -12.316 5.100 -10.239 230 2HZ LYS 37 HZ2 LYS 37 -13.892 4.499 -10.443 231 3HZ LYS 37 HZ3 LYS 37 -12.625 3.917 -11.414 232 H PHE 38 H PHE 38 -8.318 0.851 -6.928 233 HA PHE 38 HA PHE 38 -5.701 0.744 -5.724 234 1HB PHE 38 HB2 PHE 38 -6.972 -0.753 -8.026 235 2HB PHE 38 HB1 PHE 38 -5.337 -1.091 -7.458 236 HD1 PHE 38 HD1 PHE 38 -5.630 -0.705 -4.539 237 HD2 PHE 38 HD2 PHE 38 -8.233 -2.630 -7.361 238 HE1 PHE 38 HE1 PHE 38 -6.555 -2.115 -2.721 239 HE2 PHE 38 HE2 PHE 38 -9.160 -4.041 -5.543 240 HZ PHE 38 HZ PHE 38 -8.321 -3.783 -3.223 241 H SER 39 H SER 39 -4.074 2.120 -6.285 242 HA SER 39 HA SER 39 -4.009 3.756 -8.591 243 1HB SER 39 HB2 SER 39 -2.254 3.156 -6.393 244 2HB SER 39 HB1 SER 39 -1.320 3.145 -7.886 245 HG SER 39 HG SER 39 -3.196 5.183 -7.467 246 H ARG 40 H ARG 40 -1.588 3.327 -9.894 247 HA ARG 40 HA ARG 40 -2.136 0.737 -11.284 248 1HB ARG 40 HB2 ARG 40 -1.154 3.415 -12.242 249 2HB ARG 40 HB1 ARG 40 -0.735 1.957 -13.142 250 1HG ARG 40 HG2 ARG 40 -3.355 1.487 -12.830 251 2HG ARG 40 HG1 ARG 40 -3.395 3.249 -12.759 252 1HD ARG 40 HD2 ARG 40 -2.706 3.493 -14.942 253 2HD ARG 40 HD1 ARG 40 -1.755 2.007 -14.917 254 HE ARG 40 HE ARG 40 -4.625 1.520 -14.741 255 1HH1 ARG 40 1HH1 ARG 40 -4.428 3.099 -17.225 256 2HH1 ARG 40 2HH1 ARG 40 -4.028 1.906 -18.414 257 1HH2 ARG 40 1HH2 ARG 40 -3.021 -0.460 -16.086 258 2HH2 ARG 40 2HH2 ARG 40 -3.229 -0.110 -17.769 259 H ALA 41 H ALA 41 -0.206 -0.428 -12.081 260 HA ALA 41 HA ALA 41 1.804 -0.739 -10.091 261 1HB ALA 41 HB1 ALA 41 2.604 -2.417 -11.432 262 2HB ALA 41 HB2 ALA 41 2.536 -1.424 -12.889 263 3HB ALA 41 HB3 ALA 41 1.069 -2.180 -12.268 264 H GLY 42 H GLY 42 4.225 -0.415 -10.611 265 1HA GLY 42 HA2 GLY 42 5.979 1.064 -11.137 266 2HA GLY 42 HA1 GLY 42 4.945 1.765 -12.375 267 H LYS 43 H LYS 43 3.774 1.479 -9.111 268 HA LYS 43 HA LYS 43 3.748 4.452 -8.944 269 1HB LYS 43 HB2 LYS 43 1.594 3.313 -8.607 270 2HB LYS 43 HB1 LYS 43 2.290 2.367 -7.292 271 1HG LYS 43 HG2 LYS 43 0.959 4.407 -6.565 272 2HG LYS 43 HG1 LYS 43 2.604 4.320 -5.935 273 1HD LYS 43 HD2 LYS 43 3.266 6.161 -7.083 274 2HD LYS 43 HD1 LYS 43 2.406 5.669 -8.542 275 1HE LYS 43 HE2 LYS 43 0.274 6.410 -7.530 276 2HE LYS 43 HE1 LYS 43 1.147 6.929 -6.087 277 1HZ LYS 43 HZ1 LYS 43 1.161 8.870 -7.219 278 2HZ LYS 43 HZ2 LYS 43 1.060 8.129 -8.744 279 3HZ LYS 43 HZ3 LYS 43 2.546 8.193 -7.924 280 H ILE 44 H ILE 44 5.238 5.436 -7.698 281 HA ILE 44 HA ILE 44 7.090 3.911 -6.098 282 HB ILE 44 HB ILE 44 6.674 6.771 -6.797 283 1HG1 ILE 44 2HG1 ILE 44 8.212 5.273 -8.011 284 2HG1 ILE 44 1HG1 ILE 44 9.099 6.582 -7.225 285 1HG2 ILE 44 1HG2 ILE 44 6.875 7.206 -4.485 286 2HG2 ILE 44 2HG2 ILE 44 8.537 7.305 -5.065 287 3HG2 ILE 44 3HG2 ILE 44 7.977 5.852 -4.236 288 1HD1 ILE 44 1HD1 ILE 44 8.876 4.510 -5.310 289 2HD1 ILE 44 2HD1 ILE 44 10.336 5.039 -6.146 290 3HD1 ILE 44 3HD1 ILE 44 9.357 3.738 -6.822 291 H CYS 45 H CYS 45 6.649 3.094 -4.146 292 HA CYS 45 HA CYS 45 4.691 4.536 -2.408 293 1HB CYS 45 HB2 CYS 45 4.510 2.240 -1.274 294 2HB CYS 45 HB1 CYS 45 3.782 2.405 -2.870 295 H ARG 46 H ARG 46 7.940 3.785 -2.803 296 HA ARG 46 HA ARG 46 8.586 4.825 -0.155 297 1HB ARG 46 HB2 ARG 46 8.569 1.951 -0.660 298 2HB ARG 46 HB1 ARG 46 10.165 2.523 -0.170 299 1HG ARG 46 HG2 ARG 46 9.155 3.648 1.788 300 2HG ARG 46 HG1 ARG 46 7.567 3.049 1.305 301 1HD ARG 46 HD2 ARG 46 8.438 0.716 1.477 302 2HD ARG 46 HD1 ARG 46 9.967 1.363 2.075 303 HE ARG 46 HE ARG 46 8.309 2.452 3.873 304 1HH1 ARG 46 1HH1 ARG 46 6.761 -0.022 2.388 305 2HH1 ARG 46 2HH1 ARG 46 6.685 -1.081 3.755 306 1HH2 ARG 46 1HH2 ARG 46 8.867 0.809 5.677 307 2HH2 ARG 46 2HH2 ARG 46 7.876 -0.610 5.618 308 H ILE 47 H ILE 47 10.495 5.931 -0.307 309 HA ILE 47 HA ILE 47 12.120 5.437 -2.762 310 HB ILE 47 HB ILE 47 10.901 7.809 -1.753 311 1HG1 ILE 47 2HG1 ILE 47 12.777 7.185 -4.042 312 2HG1 ILE 47 1HG1 ILE 47 11.020 7.327 -4.090 313 1HG2 ILE 47 1HG2 ILE 47 12.758 9.355 -1.566 314 2HG2 ILE 47 2HG2 ILE 47 13.918 8.066 -1.887 315 3HG2 ILE 47 3HG2 ILE 47 12.993 8.065 -0.386 316 1HD1 ILE 47 1HD1 ILE 47 11.255 9.505 -4.589 317 2HD1 ILE 47 2HD1 ILE 47 13.004 9.397 -4.387 318 3HD1 ILE 47 3HD1 ILE 47 11.976 9.753 -2.999 319 HA PRO 48 HA PRO 48 15.447 4.429 -0.056 320 1HB PRO 48 HB2 PRO 48 17.473 4.646 -1.903 321 2HB PRO 48 HB1 PRO 48 16.351 3.276 -1.841 322 1HG PRO 48 HG2 PRO 48 16.440 5.542 -3.778 323 2HG PRO 48 HG1 PRO 48 15.810 3.901 -3.999 324 1HD PRO 48 HD2 PRO 48 14.262 6.221 -3.525 325 2HD PRO 48 HD1 PRO 48 13.687 4.544 -3.424 326 H ARG 49 H ARG 49 17.816 5.415 0.332 327 HA ARG 49 HA ARG 49 17.701 8.382 0.059 328 1HB ARG 49 HB2 ARG 49 17.120 7.117 2.427 329 2HB ARG 49 HB1 ARG 49 18.852 7.409 2.591 330 1HG ARG 49 HG2 ARG 49 18.206 9.478 3.287 331 2HG ARG 49 HG1 ARG 49 18.014 9.799 1.564 332 1HD ARG 49 HD2 ARG 49 15.849 10.259 2.023 333 2HD ARG 49 HD1 ARG 49 15.640 8.523 2.255 334 HE ARG 49 HE ARG 49 16.407 10.294 4.538 335 1HH1 ARG 49 1HH2 ARG 49 13.581 9.292 3.233 336 2HH1 ARG 49 2HH2 ARG 49 13.063 8.308 4.560 337 1HH2 ARG 49 1HH1 ARG 49 16.127 8.413 6.179 338 2HH2 ARG 49 2HH1 ARG 49 14.504 7.812 6.229 339 H GLY 50 H GLY 50 19.335 5.739 -0.780 340 1HA GLY 50 HA2 GLY 50 21.601 6.648 -1.821 341 2HA GLY 50 HA1 GLY 50 22.041 6.763 -0.117 342 H GLU 51 H GLU 51 22.298 4.795 -2.751 343 HA GLU 51 HA GLU 51 23.037 2.580 -2.977 344 1HB GLU 51 HB2 GLU 51 23.707 3.338 -0.245 345 2HB GLU 51 HB1 GLU 51 23.336 1.618 -0.370 346 1HG GLU 51 HG2 GLU 51 24.867 1.906 -2.579 347 2HG GLU 51 HG1 GLU 51 25.576 3.162 -1.563 348 H MET 52 H MET 52 20.156 3.327 -2.489 349 HA MET 52 HA MET 52 19.244 0.567 -1.869 350 1HB MET 52 HB2 MET 52 17.953 3.064 -0.730 351 2HB MET 52 HB1 MET 52 17.416 1.403 -0.476 352 1HG MET 52 HG2 MET 52 19.986 1.156 0.309 353 2HG MET 52 HG1 MET 52 19.719 2.851 0.719 354 1HE MET 52 HE1 MET 52 20.516 0.646 2.583 355 2HE MET 52 HE2 MET 52 19.485 -0.690 2.074 356 3HE MET 52 HE3 MET 52 19.296 -0.004 3.686 357 HA PRO 53 HA PRO 53 16.836 1.348 -5.477 358 1HB PRO 53 HB2 PRO 53 15.115 -0.781 -5.227 359 2HB PRO 53 HB1 PRO 53 16.793 -0.939 -5.775 360 1HG PRO 53 HG2 PRO 53 15.605 -1.647 -3.129 361 2HG PRO 53 HG1 PRO 53 17.013 -2.342 -3.949 362 1HD PRO 53 HD2 PRO 53 17.103 -0.480 -1.829 363 2HD PRO 53 HD1 PRO 53 18.454 -0.900 -2.905 364 H ASP 54 H ASP 54 14.237 1.180 -5.955 365 HA ASP 54 HA ASP 54 12.919 2.672 -3.720 366 1HB ASP 54 HB2 ASP 54 12.293 2.876 -6.679 367 2HB ASP 54 HB1 ASP 54 11.668 3.901 -5.387 368 H ASP 55 H ASP 55 10.446 2.438 -3.818 369 HA ASP 55 HA ASP 55 9.818 -0.426 -4.373 370 1HB ASP 55 HB2 ASP 55 8.446 1.565 -2.540 371 2HB ASP 55 HB1 ASP 55 7.961 -0.117 -2.762 372 H ARG 56 H ARG 56 8.320 -0.909 -5.903 373 HA ARG 56 HA ARG 56 6.702 1.341 -7.047 374 1HB ARG 56 HB2 ARG 56 8.638 -0.280 -8.300 375 2HB ARG 56 HB1 ARG 56 7.081 -0.900 -8.849 376 1HG ARG 56 HG2 ARG 56 7.653 0.824 -10.387 377 2HG ARG 56 HG1 ARG 56 6.436 1.525 -9.322 378 1HD ARG 56 HD2 ARG 56 8.827 2.705 -9.896 379 2HD ARG 56 HD1 ARG 56 7.898 3.017 -8.433 380 HE ARG 56 HE ARG 56 9.352 1.279 -7.319 381 1HH1 ARG 56 1HH1 ARG 56 10.606 3.725 -9.135 382 2HH1 ARG 56 2HH1 ARG 56 12.153 2.999 -9.419 383 1HH2 ARG 56 1HH2 ARG 56 11.217 -0.104 -8.180 384 2HH2 ARG 56 2HH2 ARG 56 12.498 0.828 -8.879 385 H CYS 57 H CYS 57 4.555 1.028 -6.708 386 HA CYS 57 HA CYS 57 3.519 -1.468 -5.685 387 1HB CYS 57 HB2 CYS 57 1.782 0.628 -6.962 388 2HB CYS 57 HB1 CYS 57 1.441 -0.393 -5.567 389 H THR 58 H THR 58 1.868 -2.780 -6.776 390 HA THR 58 HA THR 58 2.590 -3.247 -9.592 391 HB THR 58 HB THR 58 1.547 -5.340 -9.358 392 HG1 THR 58 HG1 THR 58 -0.152 -5.681 -8.068 393 1HG2 THR 58 1HG2 THR 58 3.253 -4.435 -7.302 394 2HG2 THR 58 2HG2 THR 58 2.959 -6.106 -7.786 395 3HG2 THR 58 3HG2 THR 58 1.991 -5.375 -6.507 396 H GLY 59 H GLY 59 0.354 -1.354 -7.966 397 1HA GLY 59 HA2 GLY 59 -1.294 0.022 -9.032 398 2HA GLY 59 HA1 GLY 59 -1.223 -1.039 -10.441 399 H GLN 60 H GLN 60 -1.632 -3.514 -9.258 400 HA GLN 60 HA GLN 60 -4.508 -3.418 -8.767 401 1HB GLN 60 HB2 GLN 60 -2.638 -5.794 -8.543 402 2HB GLN 60 HB1 GLN 60 -4.386 -5.835 -8.774 403 1HG GLN 60 HG2 GLN 60 -4.200 -4.894 -10.978 404 2HG GLN 60 HG1 GLN 60 -2.489 -4.537 -10.744 405 1HE2 GLN 60 1HE2 GLN 60 -3.762 -7.568 -9.512 406 2HE2 GLN 60 2HE2 GLN 60 -3.042 -8.566 -10.679 407 H SER 61 H SER 61 -1.666 -3.353 -6.834 408 HA SER 61 HA SER 61 -3.184 -4.247 -4.428 409 1HB SER 61 HB2 SER 61 -0.484 -4.563 -5.258 410 2HB SER 61 HB1 SER 61 -0.467 -3.519 -3.840 411 HG SER 61 HG SER 61 -0.598 -6.039 -3.743 412 H ALA 62 H ALA 62 -3.691 -2.809 -2.798 413 HA ALA 62 HA ALA 62 -3.394 0.047 -3.418 414 1HB ALA 62 HB1 ALA 62 -4.779 -1.483 -1.208 415 2HB ALA 62 HB2 ALA 62 -5.518 -0.563 -2.518 416 3HB ALA 62 HB3 ALA 62 -4.680 0.278 -1.213 417 H ASP 63 H ASP 63 -2.065 -2.307 -1.155 418 HA ASP 63 HA ASP 63 -0.606 -0.220 0.332 419 1HB ASP 63 HB2 ASP 63 -0.639 -3.246 0.518 420 2HB ASP 63 HB1 ASP 63 0.366 -2.218 1.541 421 H CYS 64 H CYS 64 1.882 -1.134 0.726 422 HA CYS 64 HA CYS 64 2.987 -1.496 -2.027 423 1HB CYS 64 HB2 CYS 64 3.499 0.735 -1.311 424 2HB CYS 64 HB1 CYS 64 4.072 0.177 0.253 425 HA PRO 65 HA PRO 65 4.516 -5.079 0.179 426 1HB PRO 65 HB2 PRO 65 4.332 -6.656 -2.050 427 2HB PRO 65 HB1 PRO 65 2.980 -6.381 -0.951 428 1HG PRO 65 HG2 PRO 65 3.411 -5.370 -3.699 429 2HG PRO 65 HG1 PRO 65 1.904 -5.485 -2.774 430 1HD PRO 65 HD2 PRO 65 3.491 -3.141 -3.221 431 2HD PRO 65 HD1 PRO 65 2.040 -3.274 -2.209 432 H ARG 66 H ARG 66 6.721 -4.413 0.357 433 HA ARG 66 HA ARG 66 8.433 -5.194 -1.935 434 1HB ARG 66 HB2 ARG 66 8.018 -2.451 -0.962 435 2HB ARG 66 HB1 ARG 66 9.715 -2.925 -1.024 436 1HG ARG 66 HG2 ARG 66 7.746 -3.205 -3.315 437 2HG ARG 66 HG1 ARG 66 8.963 -1.935 -3.171 438 1HD ARG 66 HD2 ARG 66 10.539 -3.295 -4.023 439 2HD ARG 66 HD1 ARG 66 10.210 -4.501 -2.780 440 HE ARG 66 HE ARG 66 8.171 -4.998 -4.472 441 1HH1 ARG 66 1HH1 ARG 66 9.473 -3.574 -6.710 442 2HH1 ARG 66 2HH1 ARG 66 10.439 -4.810 -7.446 443 1HH2 ARG 66 1HH2 ARG 66 10.285 -6.933 -4.708 444 2HH2 ARG 66 2HH2 ARG 66 10.895 -6.713 -6.314 445 H TYR 67 H TYR 67 10.884 -4.530 -0.945 446 HA TYR 67 HA TYR 67 11.255 -6.473 1.158 447 1HB TYR 67 HB2 TYR 67 13.236 -4.358 0.284 448 2HB TYR 67 HB1 TYR 67 13.589 -5.923 1.017 449 HD1 TYR 67 HD2 TYR 67 12.341 -7.960 -0.323 450 HD2 TYR 67 HD1 TYR 67 13.609 -4.216 -2.004 451 HE1 TYR 67 HE2 TYR 67 12.423 -8.998 -2.573 452 HE2 TYR 67 HE1 TYR 67 13.690 -5.254 -4.253 453 HH TYR 67 HH TYR 67 12.591 -8.578 -4.785 454 H HIS 68 H HIS 68 9.628 -5.332 2.638 455 HA HIS 68 HA HIS 68 11.141 -3.741 4.591 456 1HB HIS 68 HB2 HIS 68 8.703 -2.629 3.169 457 2HB HIS 68 HB1 HIS 68 9.375 -1.950 4.652 458 HD1 HIS 68 HD1 HIS 68 11.860 -1.001 4.493 459 HD2 HIS 68 HD2 HIS 68 10.088 -1.930 0.837 460 HE1 HIS 68 HE1 HIS 68 13.265 0.123 2.710 Start of MODEL 4 1 1H GLY 1 HT1 GLY 1 -13.612 -14.028 4.985 2 2H GLY 1 HT2 GLY 1 -12.719 -15.467 4.857 3 3H GLY 1 HT3 GLY 1 -14.184 -15.295 4.015 4 1HA GLY 1 HA1 GLY 1 -11.743 -14.865 2.961 5 2HA GLY 1 HA2 GLY 1 -13.249 -14.206 2.322 6 H LYS 2 H LYS 2 -13.704 -12.001 2.654 7 HA LYS 2 HA LYS 2 -11.555 -10.437 4.028 8 1HB LYS 2 HB2 LYS 2 -12.358 -10.350 1.284 9 2HB LYS 2 HB1 LYS 2 -12.843 -8.834 2.043 10 1HG LYS 2 HG2 LYS 2 -10.495 -8.718 3.027 11 2HG LYS 2 HG1 LYS 2 -10.074 -10.050 1.951 12 1HD LYS 2 HD2 LYS 2 -11.233 -8.445 0.146 13 2HD LYS 2 HD1 LYS 2 -10.712 -7.210 1.292 14 1HE LYS 2 HE2 LYS 2 -8.542 -7.453 0.710 15 2HE LYS 2 HE1 LYS 2 -8.638 -9.211 0.812 16 1HZ LYS 2 HZ1 LYS 2 -9.862 -9.084 -1.377 17 2HZ LYS 2 HZ2 LYS 2 -8.202 -8.729 -1.423 18 3HZ LYS 2 HZ3 LYS 2 -9.343 -7.473 -1.477 19 H GLU 3 H GLU 3 -12.359 -9.284 5.708 20 HA GLU 3 HA GLU 3 -15.248 -8.507 5.603 21 1HB GLU 3 HB2 GLU 3 -15.217 -8.669 8.099 22 2HB GLU 3 HB1 GLU 3 -14.911 -10.216 7.310 23 1HG GLU 3 HG2 GLU 3 -13.263 -10.078 9.009 24 2HG GLU 3 HG1 GLU 3 -12.411 -9.638 7.529 25 H CYS 4 H CYS 4 -12.169 -7.311 5.452 26 HA CYS 4 HA CYS 4 -13.121 -4.614 6.141 27 1HB CYS 4 HB2 CYS 4 -12.257 -5.316 8.300 28 2HB CYS 4 HB1 CYS 4 -10.771 -5.907 7.557 29 H ASP 5 H ASP 5 -12.435 -3.346 4.490 30 HA ASP 5 HA ASP 5 -10.010 -4.215 2.981 31 1HB ASP 5 HB2 ASP 5 -12.587 -3.406 2.132 32 2HB ASP 5 HB1 ASP 5 -11.486 -2.102 1.685 33 H CYS 6 H CYS 6 -11.207 -1.792 5.096 34 HA CYS 6 HA CYS 6 -8.849 -0.083 4.414 35 1HB CYS 6 HB2 CYS 6 -10.084 1.871 4.922 36 2HB CYS 6 HB1 CYS 6 -11.209 0.882 3.996 37 H SER 7 H SER 7 -7.395 0.168 6.049 38 HA SER 7 HA SER 7 -8.067 -1.020 8.675 39 1HB SER 7 HB2 SER 7 -5.787 -1.125 7.164 40 2HB SER 7 HB1 SER 7 -5.394 0.175 8.285 41 HG SER 7 HG SER 7 -6.587 -2.176 9.247 42 H SER 8 H SER 8 -9.091 1.673 7.698 43 HA SER 8 HA SER 8 -8.158 3.213 10.078 44 1HB SER 8 HB2 SER 8 -8.120 4.001 7.221 45 2HB SER 8 HB1 SER 8 -8.728 5.217 8.341 46 HG SER 8 HG SER 8 -6.665 5.561 8.637 47 HA PRO 9 HA PRO 9 -12.624 3.222 10.481 48 1HB PRO 9 HB2 PRO 9 -12.619 4.230 13.039 49 2HB PRO 9 HB1 PRO 9 -12.340 2.522 12.658 50 1HG PRO 9 HG2 PRO 9 -10.375 4.605 13.493 51 2HG PRO 9 HG1 PRO 9 -10.308 2.848 13.710 52 1HD PRO 9 HD2 PRO 9 -8.901 4.326 11.751 53 2HD PRO 9 HD1 PRO 9 -9.121 2.562 11.769 54 H GLU 10 H GLU 10 -10.403 5.883 10.780 55 HA GLU 10 HA GLU 10 -12.563 7.893 10.913 56 1HB GLU 10 HB2 GLU 10 -9.543 8.068 10.852 57 2HB GLU 10 HB1 GLU 10 -10.575 9.495 10.756 58 1HG GLU 10 HG2 GLU 10 -10.860 9.468 12.987 59 2HG GLU 10 HG1 GLU 10 -11.513 7.831 12.895 60 H ASN 11 H ASN 11 -12.291 6.074 8.575 61 HA ASN 11 HA ASN 11 -11.837 8.152 6.475 62 1HB ASN 11 HB2 ASN 11 -10.139 6.575 6.084 63 2HB ASN 11 HB1 ASN 11 -11.161 5.218 6.552 64 1HD2 ASN 11 1HD2 ASN 11 -11.207 3.995 4.629 65 2HD2 ASN 11 2HD2 ASN 11 -11.733 4.599 3.135 66 HA PRO 12 HA PRO 12 -16.156 7.290 5.762 67 1HB PRO 12 HB2 PRO 12 -16.465 9.155 3.767 68 2HB PRO 12 HB1 PRO 12 -16.433 9.564 5.492 69 1HG PRO 12 HG2 PRO 12 -14.332 9.996 3.424 70 2HG PRO 12 HG1 PRO 12 -14.617 10.875 4.935 71 1HD PRO 12 HD2 PRO 12 -12.627 8.897 4.501 72 2HD PRO 12 HD1 PRO 12 -13.112 9.574 6.070 73 H CYS 13 H CYS 13 -13.624 7.225 3.332 74 HA CYS 13 HA CYS 13 -15.127 6.284 1.110 75 1HB CYS 13 HB2 CYS 13 -12.332 6.526 1.848 76 2HB CYS 13 HB1 CYS 13 -12.624 5.026 0.966 77 H CYS 14 H CYS 14 -14.466 4.752 4.092 78 HA CYS 14 HA CYS 14 -15.409 2.188 2.905 79 1HB CYS 14 HB2 CYS 14 -13.822 0.897 4.094 80 2HB CYS 14 HB1 CYS 14 -12.892 2.236 3.431 81 H ASP 15 H ASP 15 -16.955 1.134 4.099 82 HA ASP 15 HA ASP 15 -18.274 2.633 6.203 83 1HB ASP 15 HB2 ASP 15 -19.282 0.971 4.449 84 2HB ASP 15 HB1 ASP 15 -18.826 -0.265 5.622 85 H ALA 16 H ALA 16 -17.569 2.653 8.271 86 HA ALA 16 HA ALA 16 -15.626 0.810 9.309 87 1HB ALA 16 HB1 ALA 16 -17.436 2.234 11.199 88 2HB ALA 16 HB2 ALA 16 -16.481 3.237 10.106 89 3HB ALA 16 HB3 ALA 16 -15.677 2.115 11.204 90 H ALA 17 H ALA 17 -19.121 0.822 9.192 91 HA ALA 17 HA ALA 17 -19.700 -1.043 11.250 92 1HB ALA 17 HB1 ALA 17 -21.514 -1.669 9.264 93 2HB ALA 17 HB2 ALA 17 -21.047 -0.021 8.844 94 3HB ALA 17 HB3 ALA 17 -21.712 -0.370 10.440 95 H THR 18 H THR 18 -18.449 -1.501 7.990 96 HA THR 18 HA THR 18 -18.201 -4.417 8.606 97 HB THR 18 HB THR 18 -18.467 -4.877 6.215 98 HG1 THR 18 HG1 THR 18 -18.602 -3.299 4.774 99 1HG2 THR 18 1HG2 THR 18 -20.661 -3.026 7.179 100 2HG2 THR 18 2HG2 THR 18 -20.484 -4.706 7.687 101 3HG2 THR 18 3HG2 THR 18 -20.823 -4.325 5.998 102 H CYS 19 H CYS 19 -16.504 -1.622 8.330 103 HA CYS 19 HA CYS 19 -14.234 -1.153 7.957 104 1HB CYS 19 HB2 CYS 19 -14.248 -3.417 9.366 105 2HB CYS 19 HB1 CYS 19 -13.605 -4.077 7.863 106 H LYS 20 H LYS 20 -16.161 -2.060 5.691 107 HA LYS 20 HA LYS 20 -14.018 -2.704 3.704 108 1HB LYS 20 HB2 LYS 20 -16.995 -3.175 3.399 109 2HB LYS 20 HB1 LYS 20 -15.712 -3.739 2.328 110 1HG LYS 20 HG2 LYS 20 -15.115 -4.585 5.007 111 2HG LYS 20 HG1 LYS 20 -16.768 -5.060 4.615 112 1HD LYS 20 HD2 LYS 20 -14.401 -5.582 2.800 113 2HD LYS 20 HD1 LYS 20 -15.027 -6.760 3.955 114 1HE LYS 20 HE2 LYS 20 -17.332 -6.196 2.768 115 2HE LYS 20 HE1 LYS 20 -16.272 -5.728 1.438 116 1HZ LYS 20 HZ1 LYS 20 -15.798 -8.286 2.793 117 2HZ LYS 20 HZ2 LYS 20 -15.495 -7.845 1.181 118 3HZ LYS 20 HZ3 LYS 20 -17.082 -8.179 1.689 119 H LEU 21 H LEU 21 -15.005 -1.939 1.379 120 HA LEU 21 HA LEU 21 -15.054 0.966 1.579 121 1HB LEU 21 HB2 LEU 21 -15.037 -1.020 -0.672 122 2HB LEU 21 HB1 LEU 21 -15.410 0.674 -0.998 123 HG LEU 21 HG LEU 21 -13.157 0.616 0.745 124 1HD1 LEU 21 1HD1 LEU 21 -12.957 -1.752 -0.163 125 2HD1 LEU 21 2HD1 LEU 21 -11.565 -0.713 -0.459 126 3HD1 LEU 21 3HD1 LEU 21 -12.717 -1.033 -1.755 127 1HD2 LEU 21 1HD2 LEU 21 -12.313 1.242 -1.863 128 2HD2 LEU 21 2HD2 LEU 21 -12.872 2.378 -0.634 129 3HD2 LEU 21 3HD2 LEU 21 -14.012 1.711 -1.802 130 H ARG 22 H ARG 22 -16.821 2.271 1.493 131 HA ARG 22 HA ARG 22 -19.467 0.997 1.434 132 1HB ARG 22 HB2 ARG 22 -19.613 2.598 3.050 133 2HB ARG 22 HB1 ARG 22 -18.350 3.588 2.335 134 1HG ARG 22 HG2 ARG 22 -19.894 4.521 0.726 135 2HG ARG 22 HG1 ARG 22 -21.150 3.372 1.189 136 1HD ARG 22 HD2 ARG 22 -21.561 4.438 3.228 137 2HD ARG 22 HD1 ARG 22 -19.967 5.191 3.267 138 HE ARG 22 HE ARG 22 -20.827 6.651 1.352 139 1HH1 ARG 22 1HH1 ARG 22 -22.113 6.950 4.213 140 2HH1 ARG 22 2HH1 ARG 22 -23.754 7.257 3.752 141 1HH2 ARG 22 1HH2 ARG 22 -23.301 6.238 0.468 142 2HH2 ARG 22 2HH2 ARG 22 -24.427 6.852 1.634 143 HA PRO 23 HA PRO 23 -19.934 3.798 -2.392 144 1HB PRO 23 HB2 PRO 23 -17.748 5.243 -3.220 145 2HB PRO 23 HB1 PRO 23 -18.945 5.852 -2.064 146 1HG PRO 23 HG2 PRO 23 -16.169 4.898 -1.560 147 2HG PRO 23 HG1 PRO 23 -17.152 6.036 -0.624 148 1HD PRO 23 HD2 PRO 23 -16.682 3.315 0.016 149 2HD PRO 23 HD1 PRO 23 -17.888 4.378 0.770 150 H GLY 24 H GLY 24 -18.468 4.086 -4.710 151 1HA GLY 24 HA2 GLY 24 -17.775 1.292 -5.324 152 2HA GLY 24 HA1 GLY 24 -17.924 2.604 -6.493 153 H ALA 25 H ALA 25 -15.934 2.478 -3.541 154 HA ALA 25 HA ALA 25 -13.584 3.192 -5.205 155 1HB ALA 25 HB1 ALA 25 -13.477 4.623 -3.411 156 2HB ALA 25 HB2 ALA 25 -12.636 3.258 -2.676 157 3HB ALA 25 HB3 ALA 25 -14.349 3.518 -2.348 158 H GLN 26 H GLN 26 -11.739 1.873 -5.304 159 HA GLN 26 HA GLN 26 -12.166 -0.959 -4.709 160 1HB GLN 26 HB2 GLN 26 -10.323 0.644 -6.303 161 2HB GLN 26 HB1 GLN 26 -9.483 -0.621 -5.409 162 1HG GLN 26 HG2 GLN 26 -10.111 -1.923 -7.173 163 2HG GLN 26 HG1 GLN 26 -11.644 -2.003 -6.306 164 1HE2 GLN 26 1HE2 GLN 26 -10.035 0.406 -8.478 165 2HE2 GLN 26 2HE2 GLN 26 -11.412 0.674 -9.434 166 H CYS 27 H CYS 27 -10.430 1.738 -3.301 167 HA CYS 27 HA CYS 27 -9.836 0.050 -0.941 168 1HB CYS 27 HB2 CYS 27 -7.671 -0.136 -1.614 169 2HB CYS 27 HB1 CYS 27 -7.843 1.122 -2.828 170 H GLY 28 H GLY 28 -9.795 1.274 1.001 171 1HA GLY 28 HA2 GLY 28 -10.939 3.999 0.714 172 2HA GLY 28 HA1 GLY 28 -10.996 3.017 2.176 173 H GLU 29 H GLU 29 -8.040 2.362 1.603 174 HA GLU 29 HA GLU 29 -6.636 4.880 1.899 175 1HB GLU 29 HB2 GLU 29 -6.038 4.718 4.218 176 2HB GLU 29 HB1 GLU 29 -7.793 4.586 4.137 177 1HG GLU 29 HG2 GLU 29 -7.505 2.711 5.384 178 2HG GLU 29 HG1 GLU 29 -7.028 1.966 3.857 179 H GLY 30 H GLY 30 -4.331 4.541 1.951 180 1HA GLY 30 HA2 GLY 30 -2.862 2.269 2.425 181 2HA GLY 30 HA1 GLY 30 -3.523 1.971 0.819 182 H LEU 31 H LEU 31 -0.771 2.201 1.128 183 HA LEU 31 HA LEU 31 0.233 4.865 0.754 184 1HB LEU 31 HB2 LEU 31 1.281 2.100 0.348 185 2HB LEU 31 HB1 LEU 31 2.113 3.408 -0.487 186 HG LEU 31 HG LEU 31 1.436 3.751 2.412 187 1HD1 LEU 31 1HD1 LEU 31 4.079 2.558 1.713 188 2HD1 LEU 31 2HD1 LEU 31 2.690 1.471 1.750 189 3HD1 LEU 31 3HD1 LEU 31 3.125 2.394 3.189 190 1HD2 LEU 31 1HD2 LEU 31 4.036 4.623 1.740 191 2HD2 LEU 31 2HD2 LEU 31 2.608 5.631 1.983 192 3HD2 LEU 31 3HD2 LEU 31 3.016 5.055 0.366 193 H CYS 32 H CYS 32 -0.845 2.356 -1.521 194 HA CYS 32 HA CYS 32 -0.566 4.364 -3.715 195 1HB CYS 32 HB2 CYS 32 -0.570 1.340 -3.749 196 2HB CYS 32 HB1 CYS 32 -0.736 2.310 -5.213 197 H CYS 33 H CYS 33 -2.693 5.131 -2.610 198 HA CYS 33 HA CYS 33 -4.942 3.762 -4.013 199 1HB CYS 33 HB2 CYS 33 -4.755 4.584 -1.124 200 2HB CYS 33 HB1 CYS 33 -6.322 4.546 -1.933 201 H GLU 34 H GLU 34 -5.332 5.281 -5.585 202 HA GLU 34 HA GLU 34 -5.481 8.143 -4.767 203 1HB GLU 34 HB2 GLU 34 -5.388 6.923 -7.546 204 2HB GLU 34 HB1 GLU 34 -5.330 8.645 -7.166 205 1HG GLU 34 HG2 GLU 34 -3.323 6.805 -5.906 206 2HG GLU 34 HG1 GLU 34 -3.090 7.317 -7.578 207 H GLN 35 H GLN 35 -7.478 9.066 -4.625 208 HA GLN 35 HA GLN 35 -9.803 9.306 -4.810 209 1HB GLN 35 HB2 GLN 35 -8.873 8.368 -7.375 210 2HB GLN 35 HB1 GLN 35 -10.443 7.648 -7.018 211 1HG GLN 35 HG2 GLN 35 -10.730 10.292 -6.196 212 2HG GLN 35 HG1 GLN 35 -9.786 10.414 -7.681 213 1HE2 GLN 35 1HE2 GLN 35 -12.933 10.378 -6.618 214 2HE2 GLN 35 2HE2 GLN 35 -13.692 9.754 -8.002 215 H CYS 36 H CYS 36 -8.559 7.073 -3.323 216 HA CYS 36 HA CYS 36 -9.268 5.169 -2.155 217 1HB CYS 36 HB2 CYS 36 -11.938 6.087 -3.258 218 2HB CYS 36 HB1 CYS 36 -11.750 4.787 -2.080 219 H LYS 37 H LYS 37 -8.141 4.742 -4.676 220 HA LYS 37 HA LYS 37 -9.601 2.283 -5.488 221 1HB LYS 37 HB2 LYS 37 -8.638 4.482 -7.332 222 2HB LYS 37 HB1 LYS 37 -9.026 2.856 -7.897 223 1HG LYS 37 HG2 LYS 37 -11.289 3.188 -6.688 224 2HG LYS 37 HG1 LYS 37 -10.870 4.902 -6.670 225 1HD LYS 37 HD2 LYS 37 -10.591 3.427 -9.254 226 2HD LYS 37 HD1 LYS 37 -12.220 3.829 -8.707 227 1HE LYS 37 HE2 LYS 37 -11.642 5.737 -9.931 228 2HE LYS 37 HE1 LYS 37 -11.203 6.211 -8.289 229 1HZ LYS 37 HZ1 LYS 37 -9.510 5.658 -10.571 230 2HZ LYS 37 HZ2 LYS 37 -8.968 4.998 -9.102 231 3HZ LYS 37 HZ3 LYS 37 -9.239 6.669 -9.236 232 H PHE 38 H PHE 38 -8.205 0.648 -6.358 233 HA PHE 38 HA PHE 38 -5.526 0.677 -5.284 234 1HB PHE 38 HB2 PHE 38 -6.922 -1.187 -7.221 235 2HB PHE 38 HB1 PHE 38 -5.289 -1.465 -6.617 236 HD1 PHE 38 HD2 PHE 38 -5.284 -0.812 -3.859 237 HD2 PHE 38 HD1 PHE 38 -8.462 -2.561 -6.158 238 HE1 PHE 38 HE2 PHE 38 -6.223 -1.821 -1.795 239 HE2 PHE 38 HE1 PHE 38 -9.401 -3.569 -4.096 240 HZ PHE 38 HZ PHE 38 -8.281 -3.199 -1.915 241 H SER 39 H SER 39 -4.082 2.113 -6.179 242 HA SER 39 HA SER 39 -4.078 3.146 -8.785 243 1HB SER 39 HB2 SER 39 -1.429 2.511 -7.564 244 2HB SER 39 HB1 SER 39 -1.997 4.011 -8.291 245 HG SER 39 HG SER 39 -1.778 4.013 -5.946 246 H ARG 40 H ARG 40 -2.013 2.584 -10.307 247 HA ARG 40 HA ARG 40 -2.395 -0.279 -11.006 248 1HB ARG 40 HB2 ARG 40 -1.163 0.474 -13.133 249 2HB ARG 40 HB1 ARG 40 -2.775 1.144 -12.878 250 1HG ARG 40 HG2 ARG 40 -1.882 3.217 -12.069 251 2HG ARG 40 HG1 ARG 40 -0.256 2.550 -11.967 252 1HD ARG 40 HD2 ARG 40 -1.586 3.780 -14.233 253 2HD ARG 40 HD1 ARG 40 0.111 3.350 -14.043 254 HE ARG 40 HE ARG 40 -1.988 1.499 -15.094 255 1HH1 ARG 40 1HH2 ARG 40 0.941 0.989 -13.799 256 2HH1 ARG 40 2HH2 ARG 40 1.751 0.488 -15.245 257 1HH2 ARG 40 1HH1 ARG 40 -0.812 1.507 -17.348 258 2HH2 ARG 40 2HH1 ARG 40 0.758 0.781 -17.255 259 H ALA 41 H ALA 41 -0.559 -1.658 -11.340 260 HA ALA 41 HA ALA 41 1.523 -1.553 -9.495 261 1HB ALA 41 HB1 ALA 41 0.881 -3.408 -11.237 262 2HB ALA 41 HB2 ALA 41 2.558 -3.274 -10.705 263 3HB ALA 41 HB3 ALA 41 2.071 -2.605 -12.262 264 H GLY 42 H GLY 42 3.939 -1.230 -10.070 265 1HA GLY 42 HA2 GLY 42 5.657 0.199 -10.816 266 2HA GLY 42 HA1 GLY 42 4.595 0.687 -12.137 267 H LYS 43 H LYS 43 3.290 0.894 -8.957 268 HA LYS 43 HA LYS 43 3.307 3.854 -9.179 269 1HB LYS 43 HB2 LYS 43 1.139 2.975 -8.723 270 2HB LYS 43 HB1 LYS 43 1.757 1.902 -7.469 271 1HG LYS 43 HG2 LYS 43 0.667 3.817 -6.420 272 2HG LYS 43 HG1 LYS 43 2.404 3.904 -6.127 273 1HD LYS 43 HD2 LYS 43 1.736 6.104 -6.797 274 2HD LYS 43 HD1 LYS 43 2.548 5.392 -8.193 275 1HE LYS 43 HE2 LYS 43 0.691 5.902 -9.373 276 2HE LYS 43 HE1 LYS 43 -0.099 4.590 -8.497 277 1HZ LYS 43 HZ1 LYS 43 0.091 7.134 -7.104 278 2HZ LYS 43 HZ2 LYS 43 -1.184 6.012 -7.153 279 3HZ LYS 43 HZ3 LYS 43 -0.954 7.098 -8.440 280 H ILE 44 H ILE 44 4.867 4.949 -8.140 281 HA ILE 44 HA ILE 44 6.721 3.771 -6.322 282 HB ILE 44 HB ILE 44 7.325 5.753 -7.575 283 1HG1 ILE 44 2HG1 ILE 44 7.799 7.344 -5.509 284 2HG1 ILE 44 1HG1 ILE 44 7.220 5.961 -4.583 285 1HG2 ILE 44 1HG2 ILE 44 6.235 7.923 -7.140 286 2HG2 ILE 44 2HG2 ILE 44 5.132 7.143 -6.006 287 3HG2 ILE 44 3HG2 ILE 44 5.066 6.740 -7.722 288 1HD1 ILE 44 1HD1 ILE 44 9.030 4.672 -5.117 289 2HD1 ILE 44 2HD1 ILE 44 9.797 6.243 -5.349 290 3HD1 ILE 44 3HD1 ILE 44 9.167 5.356 -6.737 291 H CYS 45 H CYS 45 6.362 3.179 -4.253 292 HA CYS 45 HA CYS 45 4.313 4.703 -2.690 293 1HB CYS 45 HB2 CYS 45 4.323 2.547 -1.253 294 2HB CYS 45 HB1 CYS 45 3.509 2.485 -2.815 295 H ARG 46 H ARG 46 7.612 4.043 -3.027 296 HA ARG 46 HA ARG 46 8.129 5.194 -0.335 297 1HB ARG 46 HB2 ARG 46 8.525 2.536 -0.740 298 2HB ARG 46 HB1 ARG 46 10.087 3.169 -1.264 299 1HG ARG 46 HG2 ARG 46 10.451 4.255 0.844 300 2HG ARG 46 HG1 ARG 46 8.790 3.955 1.355 301 1HD ARG 46 HD2 ARG 46 9.466 1.425 0.943 302 2HD ARG 46 HD1 ARG 46 11.096 2.050 1.195 303 HE ARG 46 HE ARG 46 10.417 2.736 3.450 304 1HH1 ARG 46 1HH1 ARG 46 8.966 0.040 2.106 305 2HH1 ARG 46 2HH1 ARG 46 7.685 -0.075 3.266 306 1HH2 ARG 46 1HH2 ARG 46 8.410 2.968 4.760 307 2HH2 ARG 46 2HH2 ARG 46 7.369 1.583 4.769 308 H ILE 47 H ILE 47 10.160 6.329 -0.213 309 HA ILE 47 HA ILE 47 11.347 6.942 -2.884 310 HB ILE 47 HB ILE 47 11.204 9.153 -0.902 311 1HG1 ILE 47 2HG1 ILE 47 8.778 9.285 -2.366 312 2HG1 ILE 47 1HG1 ILE 47 8.806 7.702 -1.617 313 1HG2 ILE 47 1HG2 ILE 47 10.271 10.079 -3.281 314 2HG2 ILE 47 2HG2 ILE 47 11.237 8.707 -3.824 315 3HG2 ILE 47 3HG2 ILE 47 11.983 9.989 -2.869 316 1HD1 ILE 47 1HD1 ILE 47 9.438 8.857 0.556 317 2HD1 ILE 47 2HD1 ILE 47 7.805 9.186 -0.023 318 3HD1 ILE 47 3HD1 ILE 47 9.079 10.384 -0.250 319 HA PRO 48 HA PRO 48 15.159 6.333 -0.760 320 1HB PRO 48 HB2 PRO 48 16.808 7.630 -2.542 321 2HB PRO 48 HB1 PRO 48 16.123 6.024 -2.835 322 1HG PRO 48 HG2 PRO 48 15.352 8.638 -4.034 323 2HG PRO 48 HG1 PRO 48 15.168 7.002 -4.691 324 1HD PRO 48 HD2 PRO 48 13.125 8.552 -3.511 325 2HD PRO 48 HD1 PRO 48 13.035 6.817 -3.866 326 H ARG 49 H ARG 49 14.412 7.878 0.995 327 HA ARG 49 HA ARG 49 15.485 10.632 0.727 328 1HB ARG 49 HB2 ARG 49 14.328 11.029 2.890 329 2HB ARG 49 HB1 ARG 49 13.227 10.402 1.662 330 1HG ARG 49 HG2 ARG 49 13.426 8.147 2.582 331 2HG ARG 49 HG1 ARG 49 14.610 8.709 3.763 332 1HD ARG 49 HD2 ARG 49 12.958 9.322 5.161 333 2HD ARG 49 HD1 ARG 49 12.295 10.390 3.925 334 HE ARG 49 HE ARG 49 11.596 7.485 3.993 335 1HH1 ARG 49 1HH2 ARG 49 10.889 10.348 2.474 336 2HH1 ARG 49 2HH2 ARG 49 9.183 10.310 2.772 337 1HH2 ARG 49 1HH1 ARG 49 9.359 7.637 4.974 338 2HH2 ARG 49 2HH1 ARG 49 8.318 8.777 4.190 339 H GLY 50 H GLY 50 17.335 8.401 0.879 340 1HA GLY 50 HA2 GLY 50 19.483 9.045 2.205 341 2HA GLY 50 HA1 GLY 50 18.474 8.726 3.616 342 H GLU 51 H GLU 51 19.856 7.218 0.714 343 HA GLU 51 HA GLU 51 20.408 4.980 0.280 344 1HB GLU 51 HB2 GLU 51 20.886 5.431 3.153 345 2HB GLU 51 HB1 GLU 51 20.646 3.738 2.719 346 1HG GLU 51 HG2 GLU 51 22.339 5.032 0.767 347 2HG GLU 51 HG1 GLU 51 22.998 5.258 2.388 348 H MET 52 H MET 52 17.657 5.559 0.200 349 HA MET 52 HA MET 52 16.506 3.039 1.325 350 1HB MET 52 HB2 MET 52 15.539 5.830 1.399 351 2HB MET 52 HB1 MET 52 14.321 4.636 0.944 352 1HG MET 52 HG2 MET 52 14.461 3.515 2.977 353 2HG MET 52 HG1 MET 52 16.108 4.067 3.283 354 1HE MET 52 HE1 MET 52 15.163 4.805 5.997 355 2HE MET 52 HE2 MET 52 13.961 3.794 5.198 356 3HE MET 52 HE3 MET 52 13.459 5.278 6.004 357 HA PRO 53 HA PRO 53 15.814 2.293 -3.010 358 1HB PRO 53 HB2 PRO 53 14.588 -0.145 -2.677 359 2HB PRO 53 HB1 PRO 53 16.343 0.090 -2.598 360 1HG PRO 53 HG2 PRO 53 14.406 -0.370 -0.375 361 2HG PRO 53 HG1 PRO 53 16.133 -0.758 -0.459 362 1HD PRO 53 HD2 PRO 53 15.002 1.446 0.903 363 2HD PRO 53 HD1 PRO 53 16.722 1.235 0.509 364 H ASP 54 H ASP 54 14.149 3.187 -4.162 365 HA ASP 54 HA ASP 54 11.634 3.938 -3.098 366 1HB ASP 54 HB2 ASP 54 11.899 3.177 -6.001 367 2HB ASP 54 HB1 ASP 54 11.025 4.525 -5.280 368 H ASP 55 H ASP 55 9.488 2.989 -4.034 369 HA ASP 55 HA ASP 55 9.632 0.037 -4.330 370 1HB ASP 55 HB2 ASP 55 8.042 1.527 -2.227 371 2HB ASP 55 HB1 ASP 55 7.687 -0.135 -2.695 372 H ARG 56 H ARG 56 8.188 -0.669 -5.853 373 HA ARG 56 HA ARG 56 6.187 1.320 -6.838 374 1HB ARG 56 HB2 ARG 56 7.564 -0.981 -8.248 375 2HB ARG 56 HB1 ARG 56 6.268 -0.021 -8.959 376 1HG ARG 56 HG2 ARG 56 8.817 1.201 -7.878 377 2HG ARG 56 HG1 ARG 56 8.618 0.730 -9.567 378 1HD ARG 56 HD2 ARG 56 6.892 2.315 -9.924 379 2HD ARG 56 HD1 ARG 56 6.634 2.545 -8.194 380 HE ARG 56 HE ARG 56 8.229 4.258 -8.368 381 1HH1 ARG 56 1HH2 ARG 56 8.353 3.916 -11.398 382 2HH1 ARG 56 2HH2 ARG 56 10.051 3.664 -11.635 383 1HH2 ARG 56 1HH1 ARG 56 10.685 2.972 -8.297 384 2HH2 ARG 56 2HH1 ARG 56 11.368 3.126 -9.881 385 H CYS 57 H CYS 57 4.147 0.828 -6.157 386 HA CYS 57 HA CYS 57 3.387 -1.678 -5.028 387 1HB CYS 57 HB2 CYS 57 1.698 0.509 -6.272 388 2HB CYS 57 HB1 CYS 57 1.036 -0.853 -5.376 389 H THR 58 H THR 58 1.875 -3.269 -5.967 390 HA THR 58 HA THR 58 2.561 -3.817 -8.783 391 HB THR 58 HB THR 58 1.627 -6.006 -8.398 392 HG1 THR 58 HG1 THR 58 0.042 -6.232 -7.065 393 1HG2 THR 58 1HG2 THR 58 3.803 -5.139 -7.133 394 2HG2 THR 58 2HG2 THR 58 3.169 -6.762 -6.856 395 3HG2 THR 58 3HG2 THR 58 2.814 -5.469 -5.710 396 H GLY 59 H GLY 59 0.380 -1.844 -7.489 397 1HA GLY 59 HA2 GLY 59 -1.493 -0.848 -8.569 398 2HA GLY 59 HA1 GLY 59 -1.452 -2.143 -9.766 399 H GLN 60 H GLN 60 -1.800 -4.420 -8.446 400 HA GLN 60 HA GLN 60 -4.550 -4.297 -7.554 401 1HB GLN 60 HB2 GLN 60 -2.531 -6.560 -7.416 402 2HB GLN 60 HB1 GLN 60 -4.263 -6.726 -7.122 403 1HG GLN 60 HG2 GLN 60 -4.615 -6.950 -9.330 404 2HG GLN 60 HG1 GLN 60 -3.934 -5.345 -9.597 405 1HE2 GLN 60 1HE2 GLN 60 -3.275 -8.785 -9.796 406 2HE2 GLN 60 2HE2 GLN 60 -1.723 -8.645 -10.468 407 H SER 61 H SER 61 -1.608 -3.717 -5.990 408 HA SER 61 HA SER 61 -2.781 -4.404 -3.330 409 1HB SER 61 HB2 SER 61 -0.553 -5.397 -3.862 410 2HB SER 61 HB1 SER 61 0.100 -3.771 -4.040 411 HG SER 61 HG SER 61 -0.817 -5.113 -1.748 412 H ALA 62 H ALA 62 -3.346 -2.741 -1.993 413 HA ALA 62 HA ALA 62 -2.957 0.015 -2.965 414 1HB ALA 62 HB1 ALA 62 -4.650 -1.329 -0.903 415 2HB ALA 62 HB2 ALA 62 -5.099 -0.131 -2.119 416 3HB ALA 62 HB3 ALA 62 -4.260 0.372 -0.651 417 H ASP 63 H ASP 63 -1.818 -2.072 -0.352 418 HA ASP 63 HA ASP 63 -0.379 0.168 0.919 419 1HB ASP 63 HB2 ASP 63 -0.168 -2.783 1.568 420 2HB ASP 63 HB1 ASP 63 0.273 -1.422 2.599 421 H CYS 64 H CYS 64 2.049 -0.442 1.484 422 HA CYS 64 HA CYS 64 3.332 -1.596 -0.954 423 1HB CYS 64 HB2 CYS 64 3.422 0.890 -1.030 424 2HB CYS 64 HB1 CYS 64 4.251 0.884 0.527 425 HA PRO 65 HA PRO 65 5.491 -3.880 2.108 426 1HB PRO 65 HB2 PRO 65 7.056 -5.224 0.314 427 2HB PRO 65 HB1 PRO 65 5.377 -5.652 0.638 428 1HG PRO 65 HG2 PRO 65 6.569 -4.328 -1.740 429 2HG PRO 65 HG1 PRO 65 5.057 -5.242 -1.606 430 1HD PRO 65 HD2 PRO 65 5.317 -2.415 -1.687 431 2HD PRO 65 HD1 PRO 65 3.846 -3.334 -1.305 432 H ARG 66 H ARG 66 8.194 -4.644 1.709 433 HA ARG 66 HA ARG 66 9.563 -1.984 1.626 434 1HB ARG 66 HB2 ARG 66 9.707 -4.235 3.560 435 2HB ARG 66 HB1 ARG 66 11.241 -3.473 3.141 436 1HG ARG 66 HG2 ARG 66 8.812 -1.862 3.946 437 2HG ARG 66 HG1 ARG 66 9.980 -2.456 5.127 438 1HD ARG 66 HD2 ARG 66 10.753 -0.797 2.715 439 2HD ARG 66 HD1 ARG 66 10.426 -0.106 4.304 440 HE ARG 66 HE ARG 66 12.335 -2.157 4.676 441 1HH1 ARG 66 1HH2 ARG 66 13.204 -0.917 2.005 442 2HH1 ARG 66 2HH2 ARG 66 14.342 0.268 2.554 443 1HH2 ARG 66 1HH1 ARG 66 13.277 0.147 5.853 444 2HH2 ARG 66 2HH1 ARG 66 14.381 0.874 4.735 445 H TYR 67 H TYR 67 10.803 -1.884 -0.183 446 HA TYR 67 HA TYR 67 11.668 -4.284 -1.586 447 1HB TYR 67 HB2 TYR 67 11.134 -1.865 -2.504 448 2HB TYR 67 HB1 TYR 67 12.834 -1.573 -2.136 449 HD1 TYR 67 HD2 TYR 67 10.832 -4.413 -3.565 450 HD2 TYR 67 HD1 TYR 67 14.247 -1.838 -3.964 451 HE1 TYR 67 HE2 TYR 67 11.482 -5.598 -5.644 452 HE2 TYR 67 HE1 TYR 67 14.896 -3.023 -6.043 453 HH TYR 67 HH TYR 67 13.141 -5.893 -7.148 454 H HIS 68 H HIS 68 12.718 -4.798 0.751 455 HA HIS 68 HA HIS 68 15.410 -3.633 1.025 456 1HB HIS 68 HB2 HIS 68 15.577 -5.113 3.002 457 2HB HIS 68 HB1 HIS 68 14.097 -4.154 3.048 458 HD1 HIS 68 HD1 HIS 68 15.165 -7.583 1.735 459 HD2 HIS 68 HD2 HIS 68 11.873 -5.718 3.486 460 HE1 HIS 68 HE1 HIS 68 13.417 -9.384 2.072 Start of MODEL 5 1 1H GLY 1 HT1 GLY 1 -11.025 -13.370 5.418 2 2H GLY 1 HT2 GLY 1 -10.483 -14.962 5.663 3 3H GLY 1 HT3 GLY 1 -10.729 -14.377 4.086 4 1HA GLY 1 HA1 GLY 1 -8.476 -14.014 5.871 5 2HA GLY 1 HA2 GLY 1 -8.526 -14.031 4.109 6 H LYS 2 H LYS 2 -10.625 -12.030 3.881 7 HA LYS 2 HA LYS 2 -9.142 -9.628 4.878 8 1HB LYS 2 HB2 LYS 2 -10.656 -9.876 2.261 9 2HB LYS 2 HB1 LYS 2 -9.725 -8.482 2.807 10 1HG LYS 2 HG2 LYS 2 -7.664 -9.630 2.599 11 2HG LYS 2 HG1 LYS 2 -8.455 -11.205 2.524 12 1HD LYS 2 HD2 LYS 2 -9.522 -10.479 0.357 13 2HD LYS 2 HD1 LYS 2 -8.512 -9.034 0.412 14 1HE LYS 2 HE2 LYS 2 -7.464 -10.782 -0.977 15 2HE LYS 2 HE1 LYS 2 -6.488 -10.447 0.453 16 1HZ LYS 2 HZ1 LYS 2 -8.485 -12.634 0.311 17 2HZ LYS 2 HZ2 LYS 2 -7.323 -12.372 1.523 18 3HZ LYS 2 HZ3 LYS 2 -6.838 -12.850 -0.033 19 H GLU 3 H GLU 3 -10.442 -8.932 6.542 20 HA GLU 3 HA GLU 3 -13.360 -8.627 5.937 21 1HB GLU 3 HB2 GLU 3 -12.377 -10.198 7.901 22 2HB GLU 3 HB1 GLU 3 -12.446 -8.664 8.769 23 1HG GLU 3 HG2 GLU 3 -14.621 -9.219 9.138 24 2HG GLU 3 HG1 GLU 3 -14.865 -8.664 7.481 25 H CYS 4 H CYS 4 -10.482 -6.965 6.458 26 HA CYS 4 HA CYS 4 -12.042 -4.506 7.059 27 1HB CYS 4 HB2 CYS 4 -9.784 -5.648 8.601 28 2HB CYS 4 HB1 CYS 4 -9.676 -3.921 8.267 29 H ASP 5 H ASP 5 -11.884 -3.700 4.966 30 HA ASP 5 HA ASP 5 -9.216 -3.583 3.685 31 1HB ASP 5 HB2 ASP 5 -11.889 -3.784 2.729 32 2HB ASP 5 HB1 ASP 5 -11.254 -2.234 2.177 33 H CYS 6 H CYS 6 -10.318 -1.938 6.073 34 HA CYS 6 HA CYS 6 -9.082 0.583 5.248 35 1HB CYS 6 HB2 CYS 6 -11.379 0.834 4.388 36 2HB CYS 6 HB1 CYS 6 -12.021 0.484 5.991 37 H SER 7 H SER 7 -7.928 1.194 7.014 38 HA SER 7 HA SER 7 -8.812 0.200 9.677 39 1HB SER 7 HB2 SER 7 -6.401 -0.077 8.643 40 2HB SER 7 HB1 SER 7 -6.188 1.580 9.202 41 HG SER 7 HG SER 7 -5.719 -0.321 10.679 42 H SER 8 H SER 8 -9.358 2.861 7.884 43 HA SER 8 HA SER 8 -9.072 4.725 10.200 44 1HB SER 8 HB2 SER 8 -9.762 5.846 7.555 45 2HB SER 8 HB1 SER 8 -8.593 6.412 8.746 46 HG SER 8 HG SER 8 -8.311 4.589 6.660 47 HA PRO 9 HA PRO 9 -13.519 4.433 10.323 48 1HB PRO 9 HB2 PRO 9 -13.829 6.107 12.479 49 2HB PRO 9 HB1 PRO 9 -13.329 4.412 12.619 50 1HG PRO 9 HG2 PRO 9 -11.689 6.883 12.913 51 2HG PRO 9 HG1 PRO 9 -11.435 5.279 13.618 52 1HD PRO 9 HD2 PRO 9 -10.071 6.344 11.375 53 2HD PRO 9 HD1 PRO 9 -10.060 4.647 11.898 54 H GLU 10 H GLU 10 -11.836 7.576 10.552 55 HA GLU 10 HA GLU 10 -14.151 9.130 9.782 56 1HB GLU 10 HB2 GLU 10 -11.350 9.617 10.432 57 2HB GLU 10 HB1 GLU 10 -11.899 10.623 9.091 58 1HG GLU 10 HG2 GLU 10 -12.295 11.695 11.309 59 2HG GLU 10 HG1 GLU 10 -13.792 11.418 10.416 60 H ASN 11 H ASN 11 -11.818 7.270 8.034 61 HA ASN 11 HA ASN 11 -11.906 8.645 5.529 62 1HB ASN 11 HB2 ASN 11 -10.219 6.948 5.973 63 2HB ASN 11 HB1 ASN 11 -11.465 5.713 6.155 64 1HD2 ASN 11 1HD2 ASN 11 -10.367 4.568 4.311 65 2HD2 ASN 11 2HD2 ASN 11 -10.673 5.075 2.721 66 HA PRO 12 HA PRO 12 -16.140 7.535 4.603 67 1HB PRO 12 HB2 PRO 12 -16.288 9.044 2.312 68 2HB PRO 12 HB1 PRO 12 -16.455 9.718 3.942 69 1HG PRO 12 HG2 PRO 12 -14.155 9.917 2.059 70 2HG PRO 12 HG1 PRO 12 -14.632 11.012 3.368 71 1HD PRO 12 HD2 PRO 12 -12.544 9.095 3.476 72 2HD PRO 12 HD1 PRO 12 -13.230 9.980 4.856 73 H CYS 13 H CYS 13 -13.298 6.807 2.830 74 HA CYS 13 HA CYS 13 -14.599 5.589 0.528 75 1HB CYS 13 HB2 CYS 13 -12.062 6.398 0.929 76 2HB CYS 13 HB1 CYS 13 -11.874 4.702 1.334 77 H CYS 14 H CYS 14 -14.657 4.709 3.693 78 HA CYS 14 HA CYS 14 -15.080 1.867 2.937 79 1HB CYS 14 HB2 CYS 14 -13.935 1.367 5.257 80 2HB CYS 14 HB1 CYS 14 -12.955 1.573 3.807 81 H ASP 15 H ASP 15 -16.176 0.667 4.757 82 HA ASP 15 HA ASP 15 -18.206 2.463 5.984 83 1HB ASP 15 HB2 ASP 15 -18.768 0.416 4.468 84 2HB ASP 15 HB1 ASP 15 -18.366 -0.541 5.892 85 H ALA 16 H ALA 16 -18.155 2.777 8.160 86 HA ALA 16 HA ALA 16 -16.112 1.467 9.769 87 1HB ALA 16 HB1 ALA 16 -17.501 2.754 11.629 88 2HB ALA 16 HB2 ALA 16 -18.198 3.565 10.228 89 3HB ALA 16 HB3 ALA 16 -16.460 3.637 10.513 90 H ALA 17 H ALA 17 -19.357 0.757 8.932 91 HA ALA 17 HA ALA 17 -19.994 -0.736 11.361 92 1HB ALA 17 HB1 ALA 17 -21.899 0.072 10.221 93 2HB ALA 17 HB2 ALA 17 -21.866 -1.643 9.813 94 3HB ALA 17 HB3 ALA 17 -21.288 -0.449 8.652 95 H THR 18 H THR 18 -18.940 -1.532 8.054 96 HA THR 18 HA THR 18 -18.494 -4.338 8.967 97 HB THR 18 HB THR 18 -19.897 -4.124 6.959 98 HG1 THR 18 HG1 THR 18 -18.694 -5.912 6.836 99 1HG2 THR 18 1HG2 THR 18 -18.344 -3.306 4.897 100 2HG2 THR 18 2HG2 THR 18 -17.711 -2.279 6.184 101 3HG2 THR 18 3HG2 THR 18 -19.427 -2.228 5.778 102 H CYS 19 H CYS 19 -16.864 -1.442 8.481 103 HA CYS 19 HA CYS 19 -14.574 -0.930 8.419 104 1HB CYS 19 HB2 CYS 19 -14.455 -2.561 10.263 105 2HB CYS 19 HB1 CYS 19 -14.336 -3.878 9.101 106 H LYS 20 H LYS 20 -15.890 -1.581 5.944 107 HA LYS 20 HA LYS 20 -13.505 -2.517 4.431 108 1HB LYS 20 HB2 LYS 20 -16.258 -3.728 4.354 109 2HB LYS 20 HB1 LYS 20 -15.213 -3.794 2.934 110 1HG LYS 20 HG2 LYS 20 -13.504 -4.579 4.943 111 2HG LYS 20 HG1 LYS 20 -15.034 -5.283 5.465 112 1HD LYS 20 HD2 LYS 20 -15.227 -6.617 3.570 113 2HD LYS 20 HD1 LYS 20 -14.212 -5.554 2.594 114 1HE LYS 20 HE2 LYS 20 -12.535 -6.384 4.665 115 2HE LYS 20 HE1 LYS 20 -13.445 -7.833 4.239 116 1HZ LYS 20 HZ1 LYS 20 -12.888 -6.945 1.825 117 2HZ LYS 20 HZ2 LYS 20 -11.829 -7.961 2.682 118 3HZ LYS 20 HZ3 LYS 20 -11.558 -6.283 2.643 119 H LEU 21 H LEU 21 -13.966 -2.136 1.962 120 HA LEU 21 HA LEU 21 -14.428 0.608 1.519 121 1HB LEU 21 HB2 LEU 21 -14.381 -1.808 -0.232 122 2HB LEU 21 HB1 LEU 21 -15.044 -0.319 -0.905 123 HG LEU 21 HG LEU 21 -12.643 0.310 0.533 124 1HD1 LEU 21 1HD1 LEU 21 -12.587 -2.275 -0.690 125 2HD1 LEU 21 2HD1 LEU 21 -11.263 -1.403 0.084 126 3HD1 LEU 21 3HD1 LEU 21 -11.571 -1.190 -1.639 127 1HD2 LEU 21 1HD2 LEU 21 -12.620 0.298 -2.422 128 2HD2 LEU 21 2HD2 LEU 21 -12.325 1.626 -1.301 129 3HD2 LEU 21 3HD2 LEU 21 -13.978 1.158 -1.696 130 H ARG 22 H ARG 22 -16.265 1.788 1.511 131 HA ARG 22 HA ARG 22 -18.846 0.359 1.653 132 1HB ARG 22 HB2 ARG 22 -18.733 1.985 3.334 133 2HB ARG 22 HB1 ARG 22 -17.976 3.171 2.280 134 1HG ARG 22 HG2 ARG 22 -20.391 3.660 2.770 135 2HG ARG 22 HG1 ARG 22 -20.047 3.484 1.049 136 1HD ARG 22 HD2 ARG 22 -21.283 1.580 0.868 137 2HD ARG 22 HD1 ARG 22 -20.744 0.968 2.432 138 HE ARG 22 HE ARG 22 -22.888 3.036 2.144 139 1HH1 ARG 22 1HH1 ARG 22 -21.558 2.436 4.837 140 2HH1 ARG 22 2HH1 ARG 22 -22.703 1.336 5.528 141 1HH2 ARG 22 1HH2 ARG 22 -24.307 0.702 2.517 142 2HH2 ARG 22 2HH2 ARG 22 -24.258 0.351 4.213 143 HA PRO 23 HA PRO 23 -19.584 3.122 -2.164 144 1HB PRO 23 HB2 PRO 23 -17.421 4.422 -3.249 145 2HB PRO 23 HB1 PRO 23 -18.467 5.132 -2.007 146 1HG PRO 23 HG2 PRO 23 -15.702 4.068 -1.740 147 2HG PRO 23 HG1 PRO 23 -16.546 5.263 -0.741 148 1HD PRO 23 HD2 PRO 23 -16.126 2.523 -0.108 149 2HD PRO 23 HD1 PRO 23 -17.169 3.663 0.766 150 H GLY 24 H GLY 24 -18.333 3.261 -4.611 151 1HA GLY 24 HA2 GLY 24 -17.757 0.417 -5.155 152 2HA GLY 24 HA1 GLY 24 -18.058 1.663 -6.368 153 H ALA 25 H ALA 25 -15.851 2.503 -3.866 154 HA ALA 25 HA ALA 25 -13.690 2.909 -5.723 155 1HB ALA 25 HB1 ALA 25 -13.827 4.262 -3.709 156 2HB ALA 25 HB2 ALA 25 -12.339 3.319 -3.644 157 3HB ALA 25 HB3 ALA 25 -13.738 2.825 -2.691 158 H GLN 26 H GLN 26 -11.635 1.761 -5.764 159 HA GLN 26 HA GLN 26 -11.991 -1.137 -5.296 160 1HB GLN 26 HB2 GLN 26 -10.617 0.439 -7.225 161 2HB GLN 26 HB1 GLN 26 -9.393 -0.463 -6.330 162 1HG GLN 26 HG2 GLN 26 -9.938 -2.096 -7.848 163 2HG GLN 26 HG1 GLN 26 -11.207 -2.425 -6.670 164 1HE2 GLN 26 1HE2 GLN 26 -13.194 -2.663 -7.684 165 2HE2 GLN 26 2HE2 GLN 26 -13.709 -1.789 -9.045 166 H CYS 27 H CYS 27 -10.636 1.551 -3.731 167 HA CYS 27 HA CYS 27 -9.405 -0.208 -1.714 168 1HB CYS 27 HB2 CYS 27 -7.307 1.305 -1.785 169 2HB CYS 27 HB1 CYS 27 -7.461 0.077 -3.042 170 H GLY 28 H GLY 28 -10.186 0.581 0.172 171 1HA GLY 28 HA2 GLY 28 -11.377 3.187 0.343 172 2HA GLY 28 HA1 GLY 28 -11.148 2.087 1.697 173 H GLU 29 H GLU 29 -8.229 1.865 1.223 174 HA GLU 29 HA GLU 29 -7.238 4.614 1.566 175 1HB GLU 29 HB2 GLU 29 -8.176 3.679 3.810 176 2HB GLU 29 HB1 GLU 29 -6.717 2.692 3.819 177 1HG GLU 29 HG2 GLU 29 -5.752 5.200 3.157 178 2HG GLU 29 HG1 GLU 29 -7.026 5.565 4.322 179 H GLY 30 H GLY 30 -4.918 3.177 3.133 180 1HA GLY 30 HA2 GLY 30 -3.046 1.792 2.548 181 2HA GLY 30 HA1 GLY 30 -3.728 1.602 0.929 182 H LEU 31 H LEU 31 -1.124 2.262 0.771 183 HA LEU 31 HA LEU 31 -1.081 5.222 0.527 184 1HB LEU 31 HB2 LEU 31 1.530 4.107 0.159 185 2HB LEU 31 HB1 LEU 31 0.962 5.117 1.458 186 HG LEU 31 HG LEU 31 0.584 2.121 1.418 187 1HD1 LEU 31 1HD1 LEU 31 2.957 3.579 1.856 188 2HD1 LEU 31 2HD1 LEU 31 2.661 1.887 2.253 189 3HD1 LEU 31 3HD1 LEU 31 2.361 3.139 3.458 190 1HD2 LEU 31 1HD2 LEU 31 -0.947 2.713 2.991 191 2HD2 LEU 31 2HD2 LEU 31 -0.300 4.348 3.131 192 3HD2 LEU 31 3HD2 LEU 31 0.457 3.021 4.013 193 H CYS 32 H CYS 32 -1.475 2.376 -1.193 194 HA CYS 32 HA CYS 32 -0.281 3.416 -3.700 195 1HB CYS 32 HB2 CYS 32 -1.255 0.757 -2.757 196 2HB CYS 32 HB1 CYS 32 -1.405 1.109 -4.475 197 H CYS 33 H CYS 33 -3.238 3.243 -1.994 198 HA CYS 33 HA CYS 33 -5.051 3.250 -4.237 199 1HB CYS 33 HB2 CYS 33 -5.665 2.692 -1.849 200 2HB CYS 33 HB1 CYS 33 -5.530 4.410 -1.479 201 H GLU 34 H GLU 34 -5.575 4.914 -5.563 202 HA GLU 34 HA GLU 34 -4.835 7.682 -4.698 203 1HB GLU 34 HB2 GLU 34 -3.575 6.398 -6.711 204 2HB GLU 34 HB1 GLU 34 -4.949 7.048 -7.606 205 1HG GLU 34 HG2 GLU 34 -4.345 9.268 -6.297 206 2HG GLU 34 HG1 GLU 34 -2.756 8.509 -6.181 207 H GLN 35 H GLN 35 -6.695 8.827 -4.405 208 HA GLN 35 HA GLN 35 -8.883 9.608 -4.755 209 1HB GLN 35 HB2 GLN 35 -7.980 8.721 -7.459 210 2HB GLN 35 HB1 GLN 35 -9.710 8.982 -7.235 211 1HG GLN 35 HG2 GLN 35 -7.507 10.986 -6.659 212 2HG GLN 35 HG1 GLN 35 -8.669 11.063 -7.985 213 1HE2 GLN 35 1HE2 GLN 35 -10.888 10.035 -6.202 214 2HE2 GLN 35 2HE2 GLN 35 -11.312 11.354 -5.222 215 H CYS 36 H CYS 36 -8.395 6.991 -3.626 216 HA CYS 36 HA CYS 36 -9.634 5.120 -2.963 217 1HB CYS 36 HB2 CYS 36 -11.740 6.847 -4.233 218 2HB CYS 36 HB1 CYS 36 -12.130 5.201 -3.739 219 H LYS 37 H LYS 37 -8.079 5.019 -5.383 220 HA LYS 37 HA LYS 37 -9.541 2.817 -6.744 221 1HB LYS 37 HB2 LYS 37 -8.074 5.004 -8.249 222 2HB LYS 37 HB1 LYS 37 -8.962 3.652 -8.952 223 1HG LYS 37 HG2 LYS 37 -11.041 4.509 -7.853 224 2HG LYS 37 HG1 LYS 37 -10.128 5.917 -7.310 225 1HD LYS 37 HD2 LYS 37 -10.380 6.906 -9.314 226 2HD LYS 37 HD1 LYS 37 -9.679 5.507 -10.127 227 1HE LYS 37 HE2 LYS 37 -11.714 5.010 -10.948 228 2HE LYS 37 HE1 LYS 37 -12.277 4.739 -9.299 229 1HZ LYS 37 HZ1 LYS 37 -13.605 6.470 -9.656 230 2HZ LYS 37 HZ2 LYS 37 -12.770 6.947 -11.056 231 3HZ LYS 37 HZ3 LYS 37 -12.224 7.444 -9.526 232 H PHE 38 H PHE 38 -8.066 1.298 -7.801 233 HA PHE 38 HA PHE 38 -5.596 0.937 -6.359 234 1HB PHE 38 HB2 PHE 38 -6.867 -0.399 -8.734 235 2HB PHE 38 HB1 PHE 38 -5.199 -0.770 -8.312 236 HD1 PHE 38 HD1 PHE 38 -5.239 -0.614 -5.373 237 HD2 PHE 38 HD2 PHE 38 -8.111 -2.290 -8.090 238 HE1 PHE 38 HE1 PHE 38 -6.020 -2.158 -3.597 239 HE2 PHE 38 HE2 PHE 38 -8.896 -3.830 -6.312 240 HZ PHE 38 HZ PHE 38 -7.850 -3.763 -4.064 241 H SER 39 H SER 39 -3.840 2.223 -6.687 242 HA SER 39 HA SER 39 -3.421 3.927 -8.902 243 1HB SER 39 HB2 SER 39 -1.693 2.801 -6.749 244 2HB SER 39 HB1 SER 39 -0.879 3.497 -8.147 245 HG SER 39 HG SER 39 -1.459 5.406 -7.491 246 H ARG 40 H ARG 40 -1.663 3.675 -10.581 247 HA ARG 40 HA ARG 40 -1.997 1.128 -11.954 248 1HB ARG 40 HB2 ARG 40 -0.548 3.700 -12.523 249 2HB ARG 40 HB1 ARG 40 -0.176 2.266 -13.481 250 1HG ARG 40 HG2 ARG 40 -3.045 3.037 -13.050 251 2HG ARG 40 HG1 ARG 40 -2.091 3.899 -14.259 252 1HD ARG 40 HD2 ARG 40 -1.850 2.035 -15.603 253 2HD ARG 40 HD1 ARG 40 -1.965 0.913 -14.248 254 HE ARG 40 HE ARG 40 -4.366 2.383 -15.257 255 1HH1 ARG 40 1HH1 ARG 40 -2.998 -0.488 -15.943 256 2HH1 ARG 40 2HH1 ARG 40 -4.242 -1.496 -15.282 257 1HH2 ARG 40 1HH2 ARG 40 -5.854 1.109 -13.656 258 2HH2 ARG 40 2HH2 ARG 40 -5.858 -0.591 -13.984 259 H ALA 41 H ALA 41 -0.569 -0.583 -11.964 260 HA ALA 41 HA ALA 41 1.282 -1.074 -9.969 261 1HB ALA 41 HB1 ALA 41 0.643 -2.826 -11.523 262 2HB ALA 41 HB2 ALA 41 2.397 -2.652 -11.578 263 3HB ALA 41 HB3 ALA 41 1.403 -1.968 -12.865 264 H GLY 42 H GLY 42 3.687 -1.089 -10.029 265 1HA GLY 42 HA2 GLY 42 5.756 -0.027 -10.390 266 2HA GLY 42 HA1 GLY 42 5.104 0.594 -11.908 267 H LYS 43 H LYS 43 3.237 1.155 -9.061 268 HA LYS 43 HA LYS 43 3.830 4.054 -9.301 269 1HB LYS 43 HB2 LYS 43 1.507 3.690 -9.203 270 2HB LYS 43 HB1 LYS 43 1.659 2.457 -7.962 271 1HG LYS 43 HG2 LYS 43 0.774 4.634 -7.092 272 2HG LYS 43 HG1 LYS 43 2.261 4.116 -6.298 273 1HD LYS 43 HD2 LYS 43 2.710 6.366 -6.774 274 2HD LYS 43 HD1 LYS 43 3.443 5.540 -8.148 275 1HE LYS 43 HE2 LYS 43 0.569 6.255 -8.419 276 2HE LYS 43 HE1 LYS 43 1.717 7.594 -8.439 277 1HZ LYS 43 HZ1 LYS 43 2.118 7.085 -10.541 278 2HZ LYS 43 HZ2 LYS 43 1.182 5.670 -10.451 279 3HZ LYS 43 HZ3 LYS 43 2.826 5.633 -10.022 280 H ILE 44 H ILE 44 5.281 4.979 -7.984 281 HA ILE 44 HA ILE 44 6.645 3.562 -5.916 282 HB ILE 44 HB ILE 44 7.598 5.476 -7.184 283 1HG1 ILE 44 2HG1 ILE 44 8.488 6.693 -5.084 284 2HG1 ILE 44 1HG1 ILE 44 7.473 5.578 -4.165 285 1HG2 ILE 44 1HG2 ILE 44 5.232 6.704 -6.668 286 2HG2 ILE 44 2HG2 ILE 44 6.702 7.575 -7.105 287 3HG2 ILE 44 3HG2 ILE 44 6.238 7.422 -5.410 288 1HD1 ILE 44 1HD1 ILE 44 10.055 5.056 -5.016 289 2HD1 ILE 44 2HD1 ILE 44 9.070 4.240 -6.230 290 3HD1 ILE 44 3HD1 ILE 44 8.878 3.838 -4.524 291 H CYS 45 H CYS 45 6.117 3.247 -3.817 292 HA CYS 45 HA CYS 45 3.997 5.005 -2.625 293 1HB CYS 45 HB2 CYS 45 4.071 2.151 -2.852 294 2HB CYS 45 HB1 CYS 45 4.211 2.579 -1.155 295 H ARG 46 H ARG 46 7.237 4.271 -2.555 296 HA ARG 46 HA ARG 46 7.585 5.619 0.022 297 1HB ARG 46 HB2 ARG 46 7.594 2.767 -0.085 298 2HB ARG 46 HB1 ARG 46 9.260 3.295 0.153 299 1HG ARG 46 HG2 ARG 46 8.844 3.953 2.269 300 2HG ARG 46 HG1 ARG 46 7.392 4.829 1.782 301 1HD ARG 46 HD2 ARG 46 6.292 2.495 1.583 302 2HD ARG 46 HD1 ARG 46 7.664 1.919 2.530 303 HE ARG 46 HE ARG 46 5.908 4.115 3.545 304 1HH1 ARG 46 1HH1 ARG 46 5.335 1.062 3.931 305 2HH1 ARG 46 2HH1 ARG 46 5.906 0.863 5.554 306 1HH2 ARG 46 1HH2 ARG 46 7.606 3.884 5.609 307 2HH2 ARG 46 2HH2 ARG 46 7.192 2.460 6.503 308 H ILE 47 H ILE 47 10.066 5.815 0.430 309 HA ILE 47 HA ILE 47 11.459 5.856 -2.201 310 HB ILE 47 HB ILE 47 10.566 8.102 -0.715 311 1HG1 ILE 47 2HG1 ILE 47 12.043 7.481 -3.227 312 2HG1 ILE 47 1HG1 ILE 47 10.537 8.362 -2.998 313 1HG2 ILE 47 1HG2 ILE 47 12.630 7.878 0.649 314 2HG2 ILE 47 2HG2 ILE 47 12.640 9.347 -0.326 315 3HG2 ILE 47 3HG2 ILE 47 13.595 7.952 -0.825 316 1HD1 ILE 47 1HD1 ILE 47 12.039 10.044 -3.645 317 2HD1 ILE 47 2HD1 ILE 47 13.361 9.355 -2.701 318 3HD1 ILE 47 3HD1 ILE 47 12.029 10.177 -1.887 319 HA PRO 48 HA PRO 48 14.880 4.134 -0.090 320 1HB PRO 48 HB2 PRO 48 16.927 5.128 -1.631 321 2HB PRO 48 HB1 PRO 48 15.827 3.850 -2.178 322 1HG PRO 48 HG2 PRO 48 15.911 6.719 -2.981 323 2HG PRO 48 HG1 PRO 48 15.313 5.316 -3.883 324 1HD PRO 48 HD2 PRO 48 13.723 7.211 -2.507 325 2HD PRO 48 HD1 PRO 48 13.171 5.650 -3.147 326 H ARG 49 H ARG 49 16.465 4.664 1.490 327 HA ARG 49 HA ARG 49 17.287 7.489 1.795 328 1HB ARG 49 HB2 ARG 49 16.670 7.392 4.254 329 2HB ARG 49 HB1 ARG 49 15.294 7.469 3.152 330 1HG ARG 49 HG2 ARG 49 16.154 4.722 3.653 331 2HG ARG 49 HG1 ARG 49 15.686 5.557 5.134 332 1HD ARG 49 HD2 ARG 49 14.019 5.318 2.612 333 2HD ARG 49 HD1 ARG 49 13.720 4.494 4.143 334 HE ARG 49 HE ARG 49 13.496 6.910 5.083 335 1HH1 ARG 49 1HH2 ARG 49 11.316 5.544 3.217 336 2HH1 ARG 49 2HH2 ARG 49 10.784 6.950 2.357 337 1HH2 ARG 49 1HH1 ARG 49 13.450 8.915 3.385 338 2HH2 ARG 49 2HH1 ARG 49 11.994 8.857 2.449 339 H GLY 50 H GLY 50 19.110 5.910 0.987 340 1HA GLY 50 HA2 GLY 50 21.342 5.757 2.331 341 2HA GLY 50 HA1 GLY 50 20.447 4.577 3.296 342 H GLU 51 H GLU 51 18.929 3.489 1.169 343 HA GLU 51 HA GLU 51 21.022 2.191 -0.527 344 1HB GLU 51 HB2 GLU 51 18.977 1.033 1.269 345 2HB GLU 51 HB1 GLU 51 19.010 0.318 -0.340 346 1HG GLU 51 HG2 GLU 51 20.631 -0.981 0.659 347 2HG GLU 51 HG1 GLU 51 21.647 0.356 0.114 348 H MET 52 H MET 52 19.049 0.739 -2.108 349 HA MET 52 HA MET 52 17.689 3.088 -3.357 350 1HB MET 52 HB2 MET 52 17.860 1.773 -5.495 351 2HB MET 52 HB1 MET 52 19.415 2.252 -4.813 352 1HG MET 52 HG2 MET 52 18.443 -0.329 -3.801 353 2HG MET 52 HG1 MET 52 18.735 -0.321 -5.541 354 1HE MET 52 HE1 MET 52 22.039 -1.582 -5.475 355 2HE MET 52 HE2 MET 52 21.355 -0.394 -6.580 356 3HE MET 52 HE3 MET 52 20.327 -1.659 -5.913 357 HA PRO 53 HA PRO 53 14.533 -0.348 -2.422 358 1HB PRO 53 HB2 PRO 53 13.444 0.586 -0.083 359 2HB PRO 53 HB1 PRO 53 14.769 -0.591 -0.137 360 1HG PRO 53 HG2 PRO 53 14.869 2.330 0.507 361 2HG PRO 53 HG1 PRO 53 15.898 1.014 1.100 362 1HD PRO 53 HD2 PRO 53 16.630 2.838 -0.896 363 2HD PRO 53 HD1 PRO 53 17.387 1.261 -0.603 364 H ASP 54 H ASP 54 13.009 0.337 -3.930 365 HA ASP 54 HA ASP 54 11.504 2.858 -3.308 366 1HB ASP 54 HB2 ASP 54 11.868 1.772 -6.102 367 2HB ASP 54 HB1 ASP 54 11.366 3.389 -5.612 368 H ASP 55 H ASP 55 9.488 2.203 -2.648 369 HA ASP 55 HA ASP 55 8.391 -0.388 -3.238 370 1HB ASP 55 HB2 ASP 55 7.159 2.178 -2.207 371 2HB ASP 55 HB1 ASP 55 6.224 0.698 -2.417 372 H ARG 56 H ARG 56 6.580 -0.871 -4.666 373 HA ARG 56 HA ARG 56 5.877 1.181 -6.686 374 1HB ARG 56 HB2 ARG 56 7.383 -1.368 -7.271 375 2HB ARG 56 HB1 ARG 56 6.347 -0.627 -8.490 376 1HG ARG 56 HG2 ARG 56 8.521 0.892 -7.031 377 2HG ARG 56 HG1 ARG 56 8.780 0.087 -8.580 378 1HD ARG 56 HD2 ARG 56 6.369 1.752 -8.552 379 2HD ARG 56 HD1 ARG 56 7.843 2.673 -8.259 380 HE ARG 56 HE ARG 56 7.548 0.883 -10.638 381 1HH1 ARG 56 1HH2 ARG 56 10.224 2.011 -10.292 382 2HH1 ARG 56 2HH2 ARG 56 10.149 3.505 -11.167 383 1HH2 ARG 56 1HH1 ARG 56 6.683 3.587 -11.254 384 2HH2 ARG 56 2HH1 ARG 56 8.144 4.397 -11.712 385 H CYS 57 H CYS 57 3.661 1.071 -6.449 386 HA CYS 57 HA CYS 57 2.145 -1.080 -5.501 387 1HB CYS 57 HB2 CYS 57 1.223 0.753 -7.726 388 2HB CYS 57 HB1 CYS 57 0.219 -0.075 -6.541 389 H THR 58 H THR 58 1.097 -2.834 -6.499 390 HA THR 58 HA THR 58 2.365 -3.766 -8.993 391 HB THR 58 HB THR 58 1.463 -5.916 -8.466 392 HG1 THR 58 HG1 THR 58 -0.337 -4.363 -7.023 393 1HG2 THR 58 1HG2 THR 58 3.308 -5.103 -6.983 394 2HG2 THR 58 2HG2 THR 58 2.263 -6.289 -6.203 395 3HG2 THR 58 3HG2 THR 58 2.090 -4.577 -5.822 396 H GLY 59 H GLY 59 -0.074 -1.732 -8.419 397 1HA GLY 59 HA2 GLY 59 -1.631 -0.950 -10.062 398 2HA GLY 59 HA1 GLY 59 -1.441 -2.474 -10.930 399 H GLN 60 H GLN 60 -1.800 -3.894 -8.235 400 HA GLN 60 HA GLN 60 -4.763 -3.532 -8.040 401 1HB GLN 60 HB2 GLN 60 -3.451 -6.185 -7.524 402 2HB GLN 60 HB1 GLN 60 -5.105 -5.843 -8.029 403 1HG GLN 60 HG2 GLN 60 -4.443 -5.366 -10.260 404 2HG GLN 60 HG1 GLN 60 -2.742 -5.234 -9.811 405 1HE2 GLN 60 1HE2 GLN 60 -4.909 -7.815 -8.651 406 2HE2 GLN 60 2HE2 GLN 60 -4.109 -9.077 -9.457 407 H SER 61 H SER 61 -1.964 -3.056 -6.417 408 HA SER 61 HA SER 61 -2.971 -4.077 -3.808 409 1HB SER 61 HB2 SER 61 -0.414 -2.569 -3.968 410 2HB SER 61 HB1 SER 61 -0.803 -4.033 -3.068 411 HG SER 61 HG SER 61 0.088 -5.068 -4.652 412 H ALA 62 H ALA 62 -3.844 -2.715 -2.294 413 HA ALA 62 HA ALA 62 -4.100 0.149 -3.005 414 1HB ALA 62 HB1 ALA 62 -5.311 -1.527 -0.779 415 2HB ALA 62 HB2 ALA 62 -6.131 -0.928 -2.219 416 3HB ALA 62 HB3 ALA 62 -5.603 0.201 -0.974 417 H ASP 63 H ASP 63 -2.807 -1.850 -0.324 418 HA ASP 63 HA ASP 63 -1.607 0.595 0.806 419 1HB ASP 63 HB2 ASP 63 -1.035 -2.159 1.851 420 2HB ASP 63 HB1 ASP 63 -1.057 -0.613 2.713 421 H CYS 64 H CYS 64 0.862 0.081 1.544 422 HA CYS 64 HA CYS 64 2.194 -1.101 -0.851 423 1HB CYS 64 HB2 CYS 64 3.311 1.355 0.458 424 2HB CYS 64 HB1 CYS 64 3.494 0.794 -1.207 425 HA PRO 65 HA PRO 65 4.382 -3.169 2.369 426 1HB PRO 65 HB2 PRO 65 5.716 -4.818 0.636 427 2HB PRO 65 HB1 PRO 65 4.054 -5.104 1.157 428 1HG PRO 65 HG2 PRO 65 5.083 -4.140 -1.463 429 2HG PRO 65 HG1 PRO 65 3.560 -4.967 -1.095 430 1HD PRO 65 HD2 PRO 65 3.887 -2.195 -1.556 431 2HD PRO 65 HD1 PRO 65 2.440 -2.991 -0.901 432 H ARG 66 H ARG 66 6.983 -4.091 1.983 433 HA ARG 66 HA ARG 66 8.463 -1.541 1.515 434 1HB ARG 66 HB2 ARG 66 8.514 -3.387 3.661 435 2HB ARG 66 HB1 ARG 66 10.046 -3.579 2.808 436 1HG ARG 66 HG2 ARG 66 10.310 -1.073 2.875 437 2HG ARG 66 HG1 ARG 66 8.887 -1.008 3.916 438 1HD ARG 66 HD2 ARG 66 11.236 -2.773 4.599 439 2HD ARG 66 HD1 ARG 66 11.206 -1.073 5.064 440 HE ARG 66 HE ARG 66 8.755 -2.167 5.915 441 1HH1 ARG 66 1HH1 ARG 66 10.630 -4.529 6.403 442 2HH1 ARG 66 2HH1 ARG 66 11.108 -4.239 8.043 443 1HH2 ARG 66 1HH2 ARG 66 10.013 -0.949 8.059 444 2HH2 ARG 66 2HH2 ARG 66 10.758 -2.211 8.981 445 H TYR 67 H TYR 67 10.987 -2.369 1.067 446 HA TYR 67 HA TYR 67 11.024 -4.553 -0.904 447 1HB TYR 67 HB2 TYR 67 10.206 -2.671 -2.258 448 2HB TYR 67 HB1 TYR 67 11.563 -1.680 -1.722 449 HD1 TYR 67 HD1 TYR 67 11.122 -5.178 -3.030 450 HD2 TYR 67 HD2 TYR 67 13.249 -1.457 -3.305 451 HE1 TYR 67 HE1 TYR 67 12.524 -6.114 -4.848 452 HE2 TYR 67 HE2 TYR 67 14.653 -2.393 -5.122 453 HH TYR 67 HH TYR 67 15.344 -4.975 -5.762 454 H HIS 68 H HIS 68 12.441 -4.859 1.225 455 HA HIS 68 HA HIS 68 15.037 -3.499 1.125 456 1HB HIS 68 HB2 HIS 68 13.973 -4.227 3.276 457 2HB HIS 68 HB1 HIS 68 14.189 -5.904 2.771 458 HD1 HIS 68 HD1 HIS 68 16.603 -6.849 2.739 459 HD2 HIS 68 HD2 HIS 68 16.381 -2.884 4.007 460 HE1 HIS 68 HE1 HIS 68 18.864 -6.288 3.734 Start of MODEL 6 1 1H GLY 1 HT1 GLY 1 -14.288 -14.649 5.072 2 2H GLY 1 HT2 GLY 1 -13.870 -14.190 3.490 3 3H GLY 1 HT3 GLY 1 -14.302 -13.010 4.635 4 1HA GLY 1 HA1 GLY 1 -12.230 -14.369 5.809 5 2HA GLY 1 HA2 GLY 1 -11.760 -14.182 4.119 6 H LYS 2 H LYS 2 -12.038 -11.918 3.219 7 HA LYS 2 HA LYS 2 -10.720 -10.014 4.924 8 1HB LYS 2 HB2 LYS 2 -10.781 -10.156 2.321 9 2HB LYS 2 HB1 LYS 2 -12.279 -9.237 2.465 10 1HG LYS 2 HG2 LYS 2 -10.966 -7.395 2.520 11 2HG LYS 2 HG1 LYS 2 -10.561 -7.885 4.165 12 1HD LYS 2 HD2 LYS 2 -8.832 -9.456 2.840 13 2HD LYS 2 HD1 LYS 2 -8.966 -8.151 1.662 14 1HE LYS 2 HE2 LYS 2 -8.335 -6.504 3.334 15 2HE LYS 2 HE1 LYS 2 -8.349 -7.733 4.600 16 1HZ LYS 2 HZ1 LYS 2 -6.626 -8.916 3.199 17 2HZ LYS 2 HZ2 LYS 2 -6.119 -7.498 3.988 18 3HZ LYS 2 HZ3 LYS 2 -6.474 -7.469 2.327 19 H GLU 3 H GLU 3 -11.728 -9.061 6.632 20 HA GLU 3 HA GLU 3 -14.644 -8.481 6.411 21 1HB GLU 3 HB2 GLU 3 -12.821 -8.537 8.835 22 2HB GLU 3 HB1 GLU 3 -14.557 -8.222 8.874 23 1HG GLU 3 HG2 GLU 3 -14.918 -10.461 7.788 24 2HG GLU 3 HG1 GLU 3 -13.192 -10.773 7.974 25 H CYS 4 H CYS 4 -11.543 -6.991 6.483 26 HA CYS 4 HA CYS 4 -12.891 -4.330 6.586 27 1HB CYS 4 HB2 CYS 4 -11.765 -4.618 8.720 28 2HB CYS 4 HB1 CYS 4 -10.280 -5.117 7.910 29 H ASP 5 H ASP 5 -12.384 -3.073 4.849 30 HA ASP 5 HA ASP 5 -10.163 -4.007 3.090 31 1HB ASP 5 HB2 ASP 5 -12.827 -3.281 2.539 32 2HB ASP 5 HB1 ASP 5 -11.841 -1.951 1.928 33 H CYS 6 H CYS 6 -11.271 -1.333 5.033 34 HA CYS 6 HA CYS 6 -8.974 0.300 4.032 35 1HB CYS 6 HB2 CYS 6 -10.169 2.264 4.774 36 2HB CYS 6 HB1 CYS 6 -11.291 1.290 3.821 37 H SER 7 H SER 7 -7.330 0.672 5.452 38 HA SER 7 HA SER 7 -7.395 -0.558 8.082 39 1HB SER 7 HB2 SER 7 -5.128 0.487 8.317 40 2HB SER 7 HB1 SER 7 -5.298 -0.475 6.852 41 HG SER 7 HG SER 7 -4.534 1.985 6.979 42 H SER 8 H SER 8 -8.402 2.462 6.859 43 HA SER 8 HA SER 8 -8.072 3.809 9.481 44 1HB SER 8 HB2 SER 8 -8.764 4.721 6.707 45 2HB SER 8 HB1 SER 8 -9.220 5.718 8.085 46 HG SER 8 HG SER 8 -6.627 4.683 7.996 47 HA PRO 9 HA PRO 9 -12.300 2.583 10.304 48 1HB PRO 9 HB2 PRO 9 -12.321 3.534 12.885 49 2HB PRO 9 HB1 PRO 9 -11.609 1.980 12.420 50 1HG PRO 9 HG2 PRO 9 -10.240 4.530 13.138 51 2HG PRO 9 HG1 PRO 9 -9.657 2.864 13.283 52 1HD PRO 9 HD2 PRO 9 -8.938 4.698 11.251 53 2HD PRO 9 HD1 PRO 9 -8.637 2.947 11.231 54 H GLU 10 H GLU 10 -10.881 5.760 10.577 55 HA GLU 10 HA GLU 10 -13.547 7.051 10.784 56 1HB GLU 10 HB2 GLU 10 -12.263 9.145 11.030 57 2HB GLU 10 HB1 GLU 10 -11.716 7.938 12.192 58 1HG GLU 10 HG2 GLU 10 -10.223 7.559 9.792 59 2HG GLU 10 HG1 GLU 10 -10.181 9.279 10.184 60 H ASN 11 H ASN 11 -12.308 5.585 8.373 61 HA ASN 11 HA ASN 11 -12.140 7.773 6.397 62 1HB ASN 11 HB2 ASN 11 -10.659 5.655 6.440 63 2HB ASN 11 HB1 ASN 11 -12.072 4.814 5.804 64 1HD2 ASN 11 1HD2 ASN 11 -11.457 4.487 3.630 65 2HD2 ASN 11 2HD2 ASN 11 -11.030 5.740 2.568 66 HA PRO 12 HA PRO 12 -16.480 7.223 5.528 67 1HB PRO 12 HB2 PRO 12 -16.589 9.090 3.512 68 2HB PRO 12 HB1 PRO 12 -16.585 9.511 5.233 69 1HG PRO 12 HG2 PRO 12 -14.384 9.757 3.236 70 2HG PRO 12 HG1 PRO 12 -14.665 10.688 4.717 71 1HD PRO 12 HD2 PRO 12 -12.794 8.584 4.412 72 2HD PRO 12 HD1 PRO 12 -13.322 9.297 5.951 73 H CYS 13 H CYS 13 -13.840 6.823 3.311 74 HA CYS 13 HA CYS 13 -15.353 5.946 1.017 75 1HB CYS 13 HB2 CYS 13 -12.817 6.672 1.297 76 2HB CYS 13 HB1 CYS 13 -12.581 4.945 1.565 77 H CYS 14 H CYS 14 -14.967 4.561 4.044 78 HA CYS 14 HA CYS 14 -15.831 1.931 2.983 79 1HB CYS 14 HB2 CYS 14 -14.221 0.701 4.294 80 2HB CYS 14 HB1 CYS 14 -13.329 1.886 3.339 81 H ASP 15 H ASP 15 -17.248 0.860 4.377 82 HA ASP 15 HA ASP 15 -18.539 2.451 6.409 83 1HB ASP 15 HB2 ASP 15 -19.643 0.635 5.036 84 2HB ASP 15 HB1 ASP 15 -18.767 -0.545 6.012 85 H ALA 16 H ALA 16 -17.829 2.739 8.459 86 HA ALA 16 HA ALA 16 -15.557 1.286 9.500 87 1HB ALA 16 HB1 ALA 16 -15.543 2.892 11.110 88 2HB ALA 16 HB2 ALA 16 -17.262 2.696 11.451 89 3HB ALA 16 HB3 ALA 16 -16.742 3.688 10.089 90 H ALA 17 H ALA 17 -19.030 0.908 9.745 91 HA ALA 17 HA ALA 17 -19.187 -0.698 12.075 92 1HB ALA 17 HB1 ALA 17 -20.819 -0.570 9.544 93 2HB ALA 17 HB2 ALA 17 -21.258 -0.034 11.167 94 3HB ALA 17 HB3 ALA 17 -21.188 -1.758 10.795 95 H THR 18 H THR 18 -18.380 -1.558 8.729 96 HA THR 18 HA THR 18 -17.699 -4.303 9.704 97 HB THR 18 HB THR 18 -19.445 -4.327 7.983 98 HG1 THR 18 HG1 THR 18 -17.875 -5.962 7.904 99 1HG2 THR 18 1HG2 THR 18 -19.445 -2.706 6.427 100 2HG2 THR 18 2HG2 THR 18 -18.053 -3.485 5.677 101 3HG2 THR 18 3HG2 THR 18 -17.811 -2.222 6.883 102 H CYS 19 H CYS 19 -16.470 -1.369 8.453 103 HA CYS 19 HA CYS 19 -14.219 -0.740 8.134 104 1HB CYS 19 HB2 CYS 19 -13.894 -2.789 9.783 105 2HB CYS 19 HB1 CYS 19 -13.310 -3.590 8.324 106 H LYS 20 H LYS 20 -16.136 -1.949 6.067 107 HA LYS 20 HA LYS 20 -14.047 -2.687 4.052 108 1HB LYS 20 HB2 LYS 20 -16.988 -3.418 4.145 109 2HB LYS 20 HB1 LYS 20 -15.903 -3.802 2.809 110 1HG LYS 20 HG2 LYS 20 -14.687 -4.613 5.293 111 2HG LYS 20 HG1 LYS 20 -16.307 -5.303 5.176 112 1HD LYS 20 HD2 LYS 20 -14.668 -5.406 2.702 113 2HD LYS 20 HD1 LYS 20 -14.137 -6.442 4.028 114 1HE LYS 20 HE2 LYS 20 -15.798 -7.518 2.445 115 2HE LYS 20 HE1 LYS 20 -16.281 -7.529 4.141 116 1HZ LYS 20 HZ1 LYS 20 -17.133 -5.489 2.161 117 2HZ LYS 20 HZ2 LYS 20 -17.666 -5.627 3.769 118 3HZ LYS 20 HZ3 LYS 20 -18.070 -6.822 2.631 119 H LEU 21 H LEU 21 -14.691 -2.020 1.772 120 HA LEU 21 HA LEU 21 -15.119 0.812 1.686 121 1HB LEU 21 HB2 LEU 21 -14.884 -1.376 -0.341 122 2HB LEU 21 HB1 LEU 21 -15.505 0.189 -0.863 123 HG LEU 21 HG LEU 21 -13.219 0.598 0.835 124 1HD1 LEU 21 1HD1 LEU 21 -13.068 -1.746 -0.844 125 2HD1 LEU 21 2HD1 LEU 21 -11.854 -1.095 0.256 126 3HD1 LEU 21 3HD1 LEU 21 -11.929 -0.525 -1.412 127 1HD2 LEU 21 1HD2 LEU 21 -14.331 1.438 -1.711 128 2HD2 LEU 21 2HD2 LEU 21 -12.586 1.221 -1.832 129 3HD2 LEU 21 3HD2 LEU 21 -13.256 2.320 -0.625 130 H ARG 22 H ARG 22 -16.986 1.954 1.537 131 HA ARG 22 HA ARG 22 -19.532 0.491 1.604 132 1HB ARG 22 HB2 ARG 22 -18.585 2.976 2.593 133 2HB ARG 22 HB1 ARG 22 -19.884 3.336 1.457 134 1HG ARG 22 HG2 ARG 22 -20.707 1.085 2.990 135 2HG ARG 22 HG1 ARG 22 -20.093 2.295 4.118 136 1HD ARG 22 HD2 ARG 22 -21.514 3.937 2.581 137 2HD ARG 22 HD1 ARG 22 -22.414 2.458 2.242 138 HE ARG 22 HE ARG 22 -22.998 2.331 4.602 139 1HH1 ARG 22 1HH2 ARG 22 -20.539 4.629 4.249 140 2HH1 ARG 22 2HH2 ARG 22 -21.204 5.755 5.383 141 1HH2 ARG 22 1HH1 ARG 22 -24.150 3.979 5.821 142 2HH2 ARG 22 2HH1 ARG 22 -23.249 5.386 6.276 143 HA PRO 23 HA PRO 23 -20.206 2.986 -2.406 144 1HB PRO 23 HB2 PRO 23 -18.097 4.465 -3.370 145 2HB PRO 23 HB1 PRO 23 -19.309 5.099 -2.244 146 1HG PRO 23 HG2 PRO 23 -16.484 4.319 -1.713 147 2HG PRO 23 HG1 PRO 23 -17.515 5.464 -0.839 148 1HD PRO 23 HD2 PRO 23 -16.898 2.814 -0.041 149 2HD PRO 23 HD1 PRO 23 -18.137 3.866 0.675 150 H GLY 24 H GLY 24 -18.680 3.224 -4.742 151 1HA GLY 24 HA2 GLY 24 -17.939 0.403 -5.186 152 2HA GLY 24 HA1 GLY 24 -18.139 1.629 -6.438 153 H ALA 25 H ALA 25 -16.235 2.477 -3.679 154 HA ALA 25 HA ALA 25 -13.892 2.916 -5.323 155 1HB ALA 25 HB1 ALA 25 -12.848 3.227 -2.926 156 2HB ALA 25 HB2 ALA 25 -14.528 3.144 -2.391 157 3HB ALA 25 HB3 ALA 25 -14.023 4.401 -3.520 158 H GLN 26 H GLN 26 -12.147 1.549 -5.641 159 HA GLN 26 HA GLN 26 -12.408 -1.227 -4.848 160 1HB GLN 26 HB2 GLN 26 -10.754 0.330 -6.636 161 2HB GLN 26 HB1 GLN 26 -9.744 -0.743 -5.668 162 1HG GLN 26 HG2 GLN 26 -10.371 -2.472 -6.960 163 2HG GLN 26 HG1 GLN 26 -12.040 -2.231 -6.442 164 1HE2 GLN 26 1HE2 GLN 26 -9.858 -1.913 -9.118 165 2HE2 GLN 26 2HE2 GLN 26 -10.940 -1.155 -10.183 166 H CYS 27 H CYS 27 -10.906 1.579 -3.483 167 HA CYS 27 HA CYS 27 -10.121 0.011 -1.121 168 1HB CYS 27 HB2 CYS 27 -7.799 1.022 -1.162 169 2HB CYS 27 HB1 CYS 27 -8.085 -0.201 -2.400 170 H GLY 28 H GLY 28 -10.638 1.233 0.637 171 1HA GLY 28 HA2 GLY 28 -11.450 4.014 0.243 172 2HA GLY 28 HA1 GLY 28 -11.531 3.124 1.763 173 H GLU 29 H GLU 29 -8.574 2.371 1.195 174 HA GLU 29 HA GLU 29 -7.154 4.906 1.422 175 1HB GLU 29 HB2 GLU 29 -8.168 4.683 3.692 176 2HB GLU 29 HB1 GLU 29 -7.338 3.138 3.881 177 1HG GLU 29 HG2 GLU 29 -5.596 5.359 3.025 178 2HG GLU 29 HG1 GLU 29 -6.289 5.553 4.635 179 H GLY 30 H GLY 30 -4.817 4.556 1.523 180 1HA GLY 30 HA2 GLY 30 -3.392 2.223 1.845 181 2HA GLY 30 HA1 GLY 30 -4.037 2.065 0.212 182 H LEU 31 H LEU 31 -1.236 2.349 0.948 183 HA LEU 31 HA LEU 31 -0.354 5.056 0.451 184 1HB LEU 31 HB2 LEU 31 0.950 2.356 0.546 185 2HB LEU 31 HB1 LEU 31 1.838 3.707 -0.159 186 HG LEU 31 HG LEU 31 2.241 3.394 2.308 187 1HD1 LEU 31 1HD1 LEU 31 1.426 5.825 0.900 188 2HD1 LEU 31 2HD1 LEU 31 2.799 5.558 1.973 189 3HD1 LEU 31 3HD1 LEU 31 1.217 5.955 2.646 190 1HD2 LEU 31 1HD2 LEU 31 0.515 3.785 3.880 191 2HD2 LEU 31 2HD2 LEU 31 -0.253 2.769 2.661 192 3HD2 LEU 31 3HD2 LEU 31 -0.543 4.509 2.669 193 H CYS 32 H CYS 32 -1.353 2.427 -1.584 194 HA CYS 32 HA CYS 32 -0.445 3.991 -3.971 195 1HB CYS 32 HB2 CYS 32 -0.998 1.027 -4.000 196 2HB CYS 32 HB1 CYS 32 -0.057 1.981 -5.147 197 H CYS 33 H CYS 33 -2.781 4.873 -3.102 198 HA CYS 33 HA CYS 33 -4.713 3.667 -5.006 199 1HB CYS 33 HB2 CYS 33 -4.959 3.714 -2.064 200 2HB CYS 33 HB1 CYS 33 -6.377 4.301 -2.933 201 H GLU 34 H GLU 34 -5.496 5.270 -6.252 202 HA GLU 34 HA GLU 34 -5.565 8.032 -5.110 203 1HB GLU 34 HB2 GLU 34 -3.990 8.054 -6.893 204 2HB GLU 34 HB1 GLU 34 -5.007 7.032 -7.908 205 1HG GLU 34 HG2 GLU 34 -6.554 8.786 -8.313 206 2HG GLU 34 HG1 GLU 34 -5.917 9.762 -6.989 207 H GLN 35 H GLN 35 -7.548 9.018 -5.080 208 HA GLN 35 HA GLN 35 -9.832 9.380 -5.493 209 1HB GLN 35 HB2 GLN 35 -8.792 8.559 -7.953 210 2HB GLN 35 HB1 GLN 35 -10.176 7.497 -7.691 211 1HG GLN 35 HG2 GLN 35 -11.545 9.179 -8.279 212 2HG GLN 35 HG1 GLN 35 -10.974 10.100 -6.886 213 1HE2 GLN 35 1HE2 GLN 35 -11.638 11.446 -9.298 214 2HE2 GLN 35 2HE2 GLN 35 -10.216 12.056 -9.996 215 H CYS 36 H CYS 36 -8.781 7.167 -3.822 216 HA CYS 36 HA CYS 36 -9.701 5.406 -2.573 217 1HB CYS 36 HB2 CYS 36 -12.034 6.762 -3.791 218 2HB CYS 36 HB1 CYS 36 -12.309 5.093 -3.295 219 H LYS 37 H LYS 37 -8.666 5.094 -5.430 220 HA LYS 37 HA LYS 37 -9.918 2.421 -5.909 221 1HB LYS 37 HB2 LYS 37 -9.763 4.685 -7.686 222 2HB LYS 37 HB1 LYS 37 -8.820 3.349 -8.349 223 1HG LYS 37 HG2 LYS 37 -11.058 2.044 -7.451 224 2HG LYS 37 HG1 LYS 37 -11.735 3.585 -7.978 225 1HD LYS 37 HD2 LYS 37 -10.134 3.129 -10.076 226 2HD LYS 37 HD1 LYS 37 -10.395 1.456 -9.582 227 1HE LYS 37 HE2 LYS 37 -12.898 2.042 -9.514 228 2HE LYS 37 HE1 LYS 37 -12.461 3.502 -10.400 229 1HZ LYS 37 HZ1 LYS 37 -13.038 1.851 -11.979 230 2HZ LYS 37 HZ2 LYS 37 -12.040 0.690 -11.243 231 3HZ LYS 37 HZ3 LYS 37 -11.352 2.021 -12.044 232 H PHE 38 H PHE 38 -8.417 0.904 -7.044 233 HA PHE 38 HA PHE 38 -5.838 0.877 -5.762 234 1HB PHE 38 HB2 PHE 38 -7.071 -0.762 -7.982 235 2HB PHE 38 HB1 PHE 38 -5.422 -1.039 -7.425 236 HD1 PHE 38 HD1 PHE 38 -5.457 -0.737 -4.590 237 HD2 PHE 38 HD2 PHE 38 -8.505 -2.388 -7.129 238 HE1 PHE 38 HE1 PHE 38 -6.326 -2.067 -2.684 239 HE2 PHE 38 HE2 PHE 38 -9.374 -3.715 -5.223 240 HZ PHE 38 HZ PHE 38 -8.285 -3.555 -3.001 241 H SER 39 H SER 39 -4.221 2.253 -6.347 242 HA SER 39 HA SER 39 -4.086 3.761 -8.722 243 1HB SER 39 HB2 SER 39 -1.734 2.743 -7.098 244 2HB SER 39 HB1 SER 39 -1.726 4.126 -8.188 245 HG SER 39 HG SER 39 -3.639 4.742 -6.710 246 H ARG 40 H ARG 40 -1.844 3.368 -10.137 247 HA ARG 40 HA ARG 40 -2.258 0.656 -11.316 248 1HB ARG 40 HB2 ARG 40 -1.441 3.317 -12.450 249 2HB ARG 40 HB1 ARG 40 -0.928 1.839 -13.263 250 1HG ARG 40 HG2 ARG 40 -3.739 1.722 -12.512 251 2HG ARG 40 HG1 ARG 40 -3.402 3.105 -13.554 252 1HD ARG 40 HD2 ARG 40 -2.178 0.484 -14.298 253 2HD ARG 40 HD1 ARG 40 -3.909 0.684 -14.569 254 HE ARG 40 HE ARG 40 -1.769 2.287 -15.871 255 1HH1 ARG 40 1HH1 ARG 40 -4.300 0.442 -16.704 256 2HH1 ARG 40 2HH1 ARG 40 -5.187 1.644 -17.580 257 1HH2 ARG 40 1HH2 ARG 40 -3.242 4.284 -16.448 258 2HH2 ARG 40 2HH2 ARG 40 -4.589 3.821 -17.434 259 H ALA 41 H ALA 41 -0.375 -0.595 -11.872 260 HA ALA 41 HA ALA 41 1.707 -0.683 -10.008 261 1HB ALA 41 HB1 ALA 41 2.135 -2.523 -11.232 262 2HB ALA 41 HB2 ALA 41 2.831 -1.494 -12.484 263 3HB ALA 41 HB3 ALA 41 1.121 -1.918 -12.542 264 H GLY 42 H GLY 42 4.143 -0.288 -10.678 265 1HA GLY 42 HA2 GLY 42 5.796 1.296 -11.268 266 2HA GLY 42 HA1 GLY 42 4.644 1.976 -12.415 267 H LYS 43 H LYS 43 3.776 1.523 -9.057 268 HA LYS 43 HA LYS 43 3.720 4.506 -8.781 269 1HB LYS 43 HB2 LYS 43 1.525 3.476 -8.543 270 2HB LYS 43 HB1 LYS 43 2.152 2.347 -7.343 271 1HG LYS 43 HG2 LYS 43 0.930 4.313 -6.351 272 2HG LYS 43 HG1 LYS 43 2.591 4.143 -5.784 273 1HD LYS 43 HD2 LYS 43 3.209 6.116 -6.696 274 2HD LYS 43 HD1 LYS 43 2.399 5.751 -8.220 275 1HE LYS 43 HE2 LYS 43 0.538 6.265 -6.006 276 2HE LYS 43 HE1 LYS 43 1.561 7.647 -6.397 277 1HZ LYS 43 HZ1 LYS 43 -0.164 6.127 -8.273 278 2HZ LYS 43 HZ2 LYS 43 0.926 7.343 -8.745 279 3HZ LYS 43 HZ3 LYS 43 -0.395 7.722 -7.744 280 H ILE 44 H ILE 44 5.169 5.391 -7.408 281 HA ILE 44 HA ILE 44 6.894 3.668 -5.814 282 HB ILE 44 HB ILE 44 6.819 6.511 -6.632 283 1HG1 ILE 44 2HG1 ILE 44 8.327 4.819 -7.606 284 2HG1 ILE 44 1HG1 ILE 44 9.247 6.098 -6.812 285 1HG2 ILE 44 1HG2 ILE 44 8.129 5.709 -4.013 286 2HG2 ILE 44 2HG2 ILE 44 6.758 6.806 -4.178 287 3HG2 ILE 44 3HG2 ILE 44 8.332 7.259 -4.830 288 1HD1 ILE 44 1HD1 ILE 44 9.420 3.332 -6.308 289 2HD1 ILE 44 2HD1 ILE 44 8.581 4.017 -4.916 290 3HD1 ILE 44 3HD1 ILE 44 10.169 4.629 -5.376 291 H CYS 45 H CYS 45 6.294 2.935 -3.856 292 HA CYS 45 HA CYS 45 4.358 4.547 -2.253 293 1HB CYS 45 HB2 CYS 45 4.281 2.328 -0.884 294 2HB CYS 45 HB1 CYS 45 3.429 2.410 -2.420 295 H ARG 46 H ARG 46 7.560 3.219 -2.337 296 HA ARG 46 HA ARG 46 8.131 4.571 0.265 297 1HB ARG 46 HB2 ARG 46 9.426 1.993 -0.660 298 2HB ARG 46 HB1 ARG 46 9.602 2.773 0.912 299 1HG ARG 46 HG2 ARG 46 6.804 2.268 0.219 300 2HG ARG 46 HG1 ARG 46 7.762 0.788 0.296 301 1HD ARG 46 HD2 ARG 46 8.687 1.785 2.516 302 2HD ARG 46 HD1 ARG 46 7.263 2.823 2.457 303 HE ARG 46 HE ARG 46 5.931 0.638 2.342 304 1HH1 ARG 46 1HH2 ARG 46 8.585 1.315 4.337 305 2HH1 ARG 46 2HH2 ARG 46 8.631 -0.248 5.081 306 1HH2 ARG 46 1HH1 ARG 46 6.199 -1.598 3.009 307 2HH2 ARG 46 2HH1 ARG 46 7.279 -1.897 4.330 308 H ILE 47 H ILE 47 10.798 4.498 0.348 309 HA ILE 47 HA ILE 47 11.685 5.427 -2.338 310 HB ILE 47 HB ILE 47 11.180 7.045 -0.088 311 1HG1 ILE 47 2HG1 ILE 47 12.269 7.299 -2.846 312 2HG1 ILE 47 1HG1 ILE 47 10.876 8.078 -2.110 313 1HG2 ILE 47 1HG2 ILE 47 13.278 7.983 0.558 314 2HG2 ILE 47 2HG2 ILE 47 14.147 7.079 -0.680 315 3HG2 ILE 47 3HG2 ILE 47 13.462 6.235 0.707 316 1HD1 ILE 47 1HD1 ILE 47 12.541 9.776 -2.510 317 2HD1 ILE 47 2HD1 ILE 47 13.786 8.809 -1.718 318 3HD1 ILE 47 3HD1 ILE 47 12.466 9.495 -0.770 319 HA PRO 48 HA PRO 48 15.300 3.078 -1.640 320 1HB PRO 48 HB2 PRO 48 17.163 4.594 -2.978 321 2HB PRO 48 HB1 PRO 48 15.930 3.613 -3.787 322 1HG PRO 48 HG2 PRO 48 16.055 6.570 -3.456 323 2HG PRO 48 HG1 PRO 48 15.249 5.614 -4.710 324 1HD PRO 48 HD2 PRO 48 13.996 6.842 -2.492 325 2HD PRO 48 HD1 PRO 48 13.263 5.638 -3.572 326 H ARG 49 H ARG 49 16.554 2.881 0.171 327 HA ARG 49 HA ARG 49 17.741 5.370 1.337 328 1HB ARG 49 HB2 ARG 49 15.978 3.483 2.536 329 2HB ARG 49 HB1 ARG 49 17.563 3.259 3.279 330 1HG ARG 49 HG2 ARG 49 16.538 4.956 4.582 331 2HG ARG 49 HG1 ARG 49 17.622 5.828 3.498 332 1HD ARG 49 HD2 ARG 49 15.701 6.189 1.938 333 2HD ARG 49 HD1 ARG 49 14.639 5.434 3.127 334 HE ARG 49 HE ARG 49 15.894 7.440 4.559 335 1HH1 ARG 49 1HH1 ARG 49 15.994 8.695 1.744 336 2HH1 ARG 49 2HH1 ARG 49 14.555 9.659 1.778 337 1HH2 ARG 49 1HH2 ARG 49 13.230 8.061 4.555 338 2HH2 ARG 49 2HH2 ARG 49 12.993 9.303 3.372 339 H GLY 50 H GLY 50 19.358 4.484 -0.424 340 1HA GLY 50 HA2 GLY 50 21.807 3.920 0.386 341 2HA GLY 50 HA1 GLY 50 21.089 2.333 0.677 342 H GLU 51 H GLU 51 20.657 0.999 -1.101 343 HA GLU 51 HA GLU 51 21.995 1.682 -3.596 344 1HB GLU 51 HB2 GLU 51 20.924 -0.533 -4.348 345 2HB GLU 51 HB1 GLU 51 22.061 -0.625 -3.003 346 1HG GLU 51 HG2 GLU 51 19.417 -0.058 -2.002 347 2HG GLU 51 HG1 GLU 51 19.370 -1.492 -3.028 348 H MET 52 H MET 52 19.156 0.070 -4.463 349 HA MET 52 HA MET 52 17.682 2.608 -4.937 350 1HB MET 52 HB2 MET 52 17.251 1.740 -7.318 351 2HB MET 52 HB1 MET 52 18.854 2.400 -6.992 352 1HG MET 52 HG2 MET 52 19.858 0.399 -7.329 353 2HG MET 52 HG1 MET 52 18.653 -0.456 -6.366 354 1HE MET 52 HE1 MET 52 19.861 -1.531 -9.656 355 2HE MET 52 HE2 MET 52 18.518 -2.611 -9.291 356 3HE MET 52 HE3 MET 52 19.565 -2.049 -7.990 357 HA PRO 53 HA PRO 53 15.015 -1.082 -3.885 358 1HB PRO 53 HB2 PRO 53 14.377 -0.374 -1.309 359 2HB PRO 53 HB1 PRO 53 15.764 -1.398 -1.716 360 1HG PRO 53 HG2 PRO 53 15.728 1.453 -0.857 361 2HG PRO 53 HG1 PRO 53 17.018 0.251 -0.696 362 1HD PRO 53 HD2 PRO 53 16.886 2.315 -2.643 363 2HD PRO 53 HD1 PRO 53 18.012 0.949 -2.629 364 H ASP 54 H ASP 54 14.323 1.160 -5.377 365 HA ASP 54 HA ASP 54 12.298 2.803 -4.181 366 1HB ASP 54 HB2 ASP 54 12.524 1.948 -7.078 367 2HB ASP 54 HB1 ASP 54 11.714 3.382 -6.457 368 H ASP 55 H ASP 55 10.597 1.765 -3.165 369 HA ASP 55 HA ASP 55 9.512 -0.748 -4.066 370 1HB ASP 55 HB2 ASP 55 9.363 0.461 -1.725 371 2HB ASP 55 HB1 ASP 55 7.895 1.161 -2.409 372 H ARG 56 H ARG 56 8.081 -1.110 -5.676 373 HA ARG 56 HA ARG 56 6.531 1.215 -6.744 374 1HB ARG 56 HB2 ARG 56 8.433 0.070 -8.147 375 2HB ARG 56 HB1 ARG 56 7.226 -1.193 -8.394 376 1HG ARG 56 HG2 ARG 56 6.400 0.079 -10.051 377 2HG ARG 56 HG1 ARG 56 5.819 1.177 -8.798 378 1HD ARG 56 HD2 ARG 56 7.167 2.411 -10.439 379 2HD ARG 56 HD1 ARG 56 7.981 2.388 -8.875 380 HE ARG 56 HE ARG 56 9.588 0.821 -9.781 381 1HH1 ARG 56 1HH1 ARG 56 7.345 -0.259 -11.714 382 2HH1 ARG 56 2HH1 ARG 56 8.085 0.113 -13.236 383 1HH2 ARG 56 1HH2 ARG 56 10.474 2.216 -11.859 384 2HH2 ARG 56 2HH2 ARG 56 9.856 1.517 -13.317 385 H CYS 57 H CYS 57 4.419 0.963 -6.234 386 HA CYS 57 HA CYS 57 3.259 -1.494 -5.343 387 1HB CYS 57 HB2 CYS 57 1.664 0.717 -6.632 388 2HB CYS 57 HB1 CYS 57 1.194 -0.348 -5.308 389 H THR 58 H THR 58 1.880 -2.950 -6.456 390 HA THR 58 HA THR 58 2.549 -3.322 -9.269 391 HB THR 58 HB THR 58 1.535 -5.429 -9.072 392 HG1 THR 58 HG1 THR 58 0.045 -5.740 -7.213 393 1HG2 THR 58 1HG2 THR 58 2.535 -6.357 -7.186 394 2HG2 THR 58 2HG2 THR 58 2.085 -4.999 -6.155 395 3HG2 THR 58 3HG2 THR 58 3.401 -4.826 -7.316 396 H GLY 59 H GLY 59 0.331 -1.379 -7.754 397 1HA GLY 59 HA2 GLY 59 -1.294 -0.034 -8.891 398 2HA GLY 59 HA1 GLY 59 -1.244 -1.171 -10.241 399 H GLN 60 H GLN 60 -1.756 -3.578 -9.005 400 HA GLN 60 HA GLN 60 -4.612 -3.352 -8.476 401 1HB GLN 60 HB2 GLN 60 -2.646 -5.630 -8.622 402 2HB GLN 60 HB1 GLN 60 -4.273 -5.896 -7.994 403 1HG GLN 60 HG2 GLN 60 -4.944 -4.550 -10.201 404 2HG GLN 60 HG1 GLN 60 -3.401 -5.197 -10.763 405 1HE2 GLN 60 1HE2 GLN 60 -6.715 -5.965 -10.292 406 2HE2 GLN 60 2HE2 GLN 60 -6.598 -7.640 -10.540 407 H SER 61 H SER 61 -1.769 -3.245 -6.576 408 HA SER 61 HA SER 61 -3.231 -4.077 -4.119 409 1HB SER 61 HB2 SER 61 -0.340 -3.224 -4.276 410 2HB SER 61 HB1 SER 61 -1.115 -4.231 -3.057 411 HG SER 61 HG SER 61 -0.931 -5.907 -4.332 412 H ALA 62 H ALA 62 -3.929 -2.574 -2.643 413 HA ALA 62 HA ALA 62 -3.712 0.259 -3.333 414 1HB ALA 62 HB1 ALA 62 -4.944 0.477 -1.056 415 2HB ALA 62 HB2 ALA 62 -5.059 -1.282 -1.117 416 3HB ALA 62 HB3 ALA 62 -5.798 -0.304 -2.385 417 H ASP 63 H ASP 63 -2.829 -1.612 -0.402 418 HA ASP 63 HA ASP 63 -1.067 0.541 0.501 419 1HB ASP 63 HB2 ASP 63 -1.720 -2.226 1.513 420 2HB ASP 63 HB1 ASP 63 -0.414 -1.278 2.227 421 H CYS 64 H CYS 64 1.280 -0.045 1.052 422 HA CYS 64 HA CYS 64 2.433 -1.479 -1.287 423 1HB CYS 64 HB2 CYS 64 3.096 0.893 -0.890 424 2HB CYS 64 HB1 CYS 64 3.813 0.406 0.642 425 HA PRO 65 HA PRO 65 3.423 -4.659 1.603 426 1HB PRO 65 HB2 PRO 65 4.315 -6.381 -0.326 427 2HB PRO 65 HB1 PRO 65 2.609 -6.139 0.043 428 1HG PRO 65 HG2 PRO 65 4.178 -5.239 -2.309 429 2HG PRO 65 HG1 PRO 65 2.428 -5.469 -2.150 430 1HD PRO 65 HD2 PRO 65 3.838 -2.993 -2.075 431 2HD PRO 65 HD1 PRO 65 2.117 -3.251 -1.723 432 H ARG 66 H ARG 66 5.760 -5.374 -0.908 433 HA ARG 66 HA ARG 66 7.954 -3.971 0.443 434 1HB ARG 66 HB2 ARG 66 7.336 -6.796 0.975 435 2HB ARG 66 HB1 ARG 66 8.999 -6.524 0.455 436 1HG ARG 66 HG2 ARG 66 7.762 -4.767 2.563 437 2HG ARG 66 HG1 ARG 66 8.443 -6.335 2.997 438 1HD ARG 66 HD2 ARG 66 10.580 -5.664 1.888 439 2HD ARG 66 HD1 ARG 66 9.892 -4.064 1.607 440 HE ARG 66 HE ARG 66 9.735 -4.807 4.403 441 1HH1 ARG 66 1HH2 ARG 66 12.213 -4.342 2.115 442 2HH1 ARG 66 2HH2 ARG 66 13.096 -3.202 3.073 443 1HH2 ARG 66 1HH1 ARG 66 10.687 -3.028 5.564 444 2HH2 ARG 66 2HH1 ARG 66 12.231 -2.455 5.025 445 H TYR 67 H TYR 67 10.127 -5.065 -0.604 446 HA TYR 67 HA TYR 67 9.806 -4.633 -3.480 447 1HB TYR 67 HB2 TYR 67 11.804 -3.970 -1.894 448 2HB TYR 67 HB1 TYR 67 12.349 -5.613 -2.222 449 HD1 TYR 67 HD1 TYR 67 12.833 -6.339 -4.553 450 HD2 TYR 67 HD2 TYR 67 11.864 -2.266 -3.594 451 HE1 TYR 67 HE1 TYR 67 13.719 -5.611 -6.751 452 HE2 TYR 67 HE2 TYR 67 12.750 -1.538 -5.794 453 HH TYR 67 HH TYR 67 14.744 -3.111 -7.581 454 H HIS 68 H HIS 68 10.850 -7.343 -1.397 455 HA HIS 68 HA HIS 68 10.788 -9.656 -1.800 456 1HB HIS 68 HB2 HIS 68 8.638 -8.527 -3.414 457 2HB HIS 68 HB1 HIS 68 9.330 -9.968 -4.161 458 HD1 HIS 68 HD1 HIS 68 9.393 -9.660 -0.440 459 HD2 HIS 68 HD2 HIS 68 7.053 -11.528 -3.343 460 HE1 HIS 68 HE1 HIS 68 7.903 -11.301 0.786 Start of MODEL 7 1 1H GLY 1 HT1 GLY 1 -11.544 -11.866 11.779 2 2H GLY 1 HT2 GLY 1 -11.403 -10.188 11.542 3 3H GLY 1 HT3 GLY 1 -10.771 -10.908 12.946 4 1HA GLY 1 HA1 GLY 1 -8.846 -10.762 11.797 5 2HA GLY 1 HA2 GLY 1 -9.429 -12.300 11.162 6 H LYS 2 H LYS 2 -11.231 -11.799 9.325 7 HA LYS 2 HA LYS 2 -9.907 -9.886 7.445 8 1HB LYS 2 HB2 LYS 2 -11.428 -12.457 6.953 9 2HB LYS 2 HB1 LYS 2 -11.024 -11.323 5.663 10 1HG LYS 2 HG2 LYS 2 -9.116 -12.570 5.526 11 2HG LYS 2 HG1 LYS 2 -8.603 -11.558 6.877 12 1HD LYS 2 HD2 LYS 2 -8.677 -13.285 8.337 13 2HD LYS 2 HD1 LYS 2 -10.233 -13.843 7.720 14 1HE LYS 2 HE2 LYS 2 -9.091 -15.575 6.822 15 2HE LYS 2 HE1 LYS 2 -8.486 -14.413 5.641 16 1HZ LYS 2 HZ1 LYS 2 -7.191 -15.402 8.096 17 2HZ LYS 2 HZ2 LYS 2 -6.748 -13.899 7.442 18 3HZ LYS 2 HZ3 LYS 2 -6.568 -15.315 6.521 19 H GLU 3 H GLU 3 -11.262 -8.144 8.354 20 HA GLU 3 HA GLU 3 -13.884 -8.048 7.000 21 1HB GLU 3 HB2 GLU 3 -14.940 -7.202 9.168 22 2HB GLU 3 HB1 GLU 3 -14.603 -8.932 9.098 23 1HG GLU 3 HG2 GLU 3 -12.721 -8.748 10.503 24 2HG GLU 3 HG1 GLU 3 -12.574 -7.012 10.228 25 H CYS 4 H CYS 4 -11.616 -6.597 6.325 26 HA CYS 4 HA CYS 4 -12.603 -3.889 6.638 27 1HB CYS 4 HB2 CYS 4 -11.405 -4.183 8.804 28 2HB CYS 4 HB1 CYS 4 -9.929 -4.543 7.911 29 H ASP 5 H ASP 5 -12.056 -2.803 4.804 30 HA ASP 5 HA ASP 5 -9.886 -3.962 3.115 31 1HB ASP 5 HB2 ASP 5 -12.438 -3.496 2.395 32 2HB ASP 5 HB1 ASP 5 -11.757 -1.911 2.029 33 H CYS 6 H CYS 6 -10.895 -1.130 4.860 34 HA CYS 6 HA CYS 6 -8.604 0.407 3.717 35 1HB CYS 6 HB2 CYS 6 -9.752 2.402 4.315 36 2HB CYS 6 HB1 CYS 6 -11.015 1.343 3.702 37 H SER 7 H SER 7 -7.958 2.111 5.750 38 HA SER 7 HA SER 7 -7.364 0.266 8.028 39 1HB SER 7 HB2 SER 7 -5.238 0.571 7.165 40 2HB SER 7 HB1 SER 7 -5.622 2.155 6.497 41 HG SER 7 HG SER 7 -4.690 2.882 8.232 42 H SER 8 H SER 8 -8.081 3.600 7.046 43 HA SER 8 HA SER 8 -8.265 4.461 9.856 44 1HB SER 8 HB2 SER 8 -8.778 5.894 7.237 45 2HB SER 8 HB1 SER 8 -8.971 6.650 8.817 46 HG SER 8 HG SER 8 -6.707 5.820 9.138 47 HA PRO 9 HA PRO 9 -12.577 3.458 10.022 48 1HB PRO 9 HB2 PRO 9 -13.073 4.653 12.447 49 2HB PRO 9 HB1 PRO 9 -12.258 3.088 12.276 50 1HG PRO 9 HG2 PRO 9 -11.093 5.744 12.965 51 2HG PRO 9 HG1 PRO 9 -10.505 4.122 13.366 52 1HD PRO 9 HD2 PRO 9 -9.496 5.800 11.314 53 2HD PRO 9 HD1 PRO 9 -9.135 4.075 11.532 54 H GLU 10 H GLU 10 -11.581 6.778 10.934 55 HA GLU 10 HA GLU 10 -14.102 8.024 10.506 56 1HB GLU 10 HB2 GLU 10 -12.158 9.131 11.613 57 2HB GLU 10 HB1 GLU 10 -11.357 9.232 10.044 58 1HG GLU 10 HG2 GLU 10 -12.785 10.863 9.260 59 2HG GLU 10 HG1 GLU 10 -14.139 10.293 10.237 60 H ASN 11 H ASN 11 -11.627 6.958 8.280 61 HA ASN 11 HA ASN 11 -12.282 8.462 5.990 62 1HB ASN 11 HB2 ASN 11 -10.378 6.854 6.167 63 2HB ASN 11 HB1 ASN 11 -11.535 5.525 6.070 64 1HD2 ASN 11 1HD2 ASN 11 -10.849 4.739 3.990 65 2HD2 ASN 11 2HD2 ASN 11 -11.039 5.642 2.565 66 HA PRO 12 HA PRO 12 -16.464 6.960 5.495 67 1HB PRO 12 HB2 PRO 12 -17.075 8.630 3.400 68 2HB PRO 12 HB1 PRO 12 -17.087 9.139 5.097 69 1HG PRO 12 HG2 PRO 12 -15.089 9.747 2.969 70 2HG PRO 12 HG1 PRO 12 -15.501 10.676 4.419 71 1HD PRO 12 HD2 PRO 12 -13.229 9.019 4.102 72 2HD PRO 12 HD1 PRO 12 -13.829 9.688 5.634 73 H CYS 13 H CYS 13 -13.962 7.039 3.038 74 HA CYS 13 HA CYS 13 -15.344 5.814 0.891 75 1HB CYS 13 HB2 CYS 13 -12.888 6.744 1.058 76 2HB CYS 13 HB1 CYS 13 -12.492 5.082 1.494 77 H CYS 14 H CYS 14 -14.482 4.538 3.966 78 HA CYS 14 HA CYS 14 -15.295 1.840 2.993 79 1HB CYS 14 HB2 CYS 14 -13.614 0.771 4.366 80 2HB CYS 14 HB1 CYS 14 -12.811 1.959 3.341 81 H ASP 15 H ASP 15 -17.080 1.219 4.038 82 HA ASP 15 HA ASP 15 -18.303 2.573 6.175 83 1HB ASP 15 HB2 ASP 15 -19.104 0.569 4.607 84 2HB ASP 15 HB1 ASP 15 -18.627 -0.394 6.005 85 H ALA 16 H ALA 16 -17.767 2.732 8.297 86 HA ALA 16 HA ALA 16 -15.494 1.299 9.373 87 1HB ALA 16 HB1 ALA 16 -16.245 2.390 11.546 88 2HB ALA 16 HB2 ALA 16 -17.579 3.096 10.634 89 3HB ALA 16 HB3 ALA 16 -15.914 3.505 10.221 90 H ALA 17 H ALA 17 -19.012 0.951 9.647 91 HA ALA 17 HA ALA 17 -19.193 -0.850 11.786 92 1HB ALA 17 HB1 ALA 17 -20.763 -1.376 9.277 93 2HB ALA 17 HB2 ALA 17 -21.040 0.115 10.177 94 3HB ALA 17 HB3 ALA 17 -21.295 -1.446 10.957 95 H THR 18 H THR 18 -18.439 -1.550 8.375 96 HA THR 18 HA THR 18 -17.565 -4.275 9.235 97 HB THR 18 HB THR 18 -19.081 -4.736 7.548 98 HG1 THR 18 HG1 THR 18 -17.864 -5.423 5.944 99 1HG2 THR 18 1HG2 THR 18 -19.620 -2.335 7.166 100 2HG2 THR 18 2HG2 THR 18 -19.551 -3.255 5.664 101 3HG2 THR 18 3HG2 THR 18 -18.207 -2.210 6.119 102 H CYS 19 H CYS 19 -16.347 -1.278 8.636 103 HA CYS 19 HA CYS 19 -14.213 -0.485 8.078 104 1HB CYS 19 HB2 CYS 19 -13.805 -2.479 9.775 105 2HB CYS 19 HB1 CYS 19 -13.130 -3.266 8.350 106 H LYS 20 H LYS 20 -15.998 -2.034 6.037 107 HA LYS 20 HA LYS 20 -13.826 -2.622 4.068 108 1HB LYS 20 HB2 LYS 20 -16.699 -3.554 4.237 109 2HB LYS 20 HB1 LYS 20 -15.697 -3.794 2.804 110 1HG LYS 20 HG2 LYS 20 -13.987 -4.744 4.626 111 2HG LYS 20 HG1 LYS 20 -15.488 -5.061 5.497 112 1HD LYS 20 HD2 LYS 20 -16.176 -6.654 4.009 113 2HD LYS 20 HD1 LYS 20 -15.480 -5.810 2.626 114 1HE LYS 20 HE2 LYS 20 -13.190 -6.469 3.587 115 2HE LYS 20 HE1 LYS 20 -14.076 -7.584 4.627 116 1HZ LYS 20 HZ1 LYS 20 -15.164 -8.110 2.248 117 2HZ LYS 20 HZ2 LYS 20 -13.844 -8.962 2.892 118 3HZ LYS 20 HZ3 LYS 20 -13.585 -7.708 1.775 119 H LEU 21 H LEU 21 -14.440 -2.043 1.758 120 HA LEU 21 HA LEU 21 -14.996 0.749 1.565 121 1HB LEU 21 HB2 LEU 21 -14.855 -1.482 -0.452 122 2HB LEU 21 HB1 LEU 21 -15.287 0.161 -0.934 123 HG LEU 21 HG LEU 21 -13.075 0.500 0.731 124 1HD1 LEU 21 1HD1 LEU 21 -12.963 -2.122 0.189 125 2HD1 LEU 21 2HD1 LEU 21 -11.511 -1.128 0.304 126 3HD1 LEU 21 3HD1 LEU 21 -12.191 -1.515 -1.276 127 1HD2 LEU 21 1HD2 LEU 21 -12.284 0.361 -2.034 128 2HD2 LEU 21 2HD2 LEU 21 -12.570 1.791 -1.043 129 3HD2 LEU 21 3HD2 LEU 21 -13.903 1.048 -1.925 130 H ARG 22 H ARG 22 -16.920 1.783 1.565 131 HA ARG 22 HA ARG 22 -19.396 0.229 1.642 132 1HB ARG 22 HB2 ARG 22 -18.605 2.675 2.684 133 2HB ARG 22 HB1 ARG 22 -19.714 3.124 1.385 134 1HG ARG 22 HG2 ARG 22 -20.628 0.849 3.020 135 2HG ARG 22 HG1 ARG 22 -20.506 2.372 3.901 136 1HD ARG 22 HD2 ARG 22 -22.132 3.402 2.625 137 2HD ARG 22 HD1 ARG 22 -21.780 2.427 1.199 138 HE ARG 22 HE ARG 22 -23.364 1.470 3.547 139 1HH1 ARG 22 1HH1 ARG 22 -21.774 0.379 0.802 140 2HH1 ARG 22 2HH1 ARG 22 -23.139 -0.438 0.119 141 1HH2 ARG 22 1HH2 ARG 22 -25.386 0.809 2.447 142 2HH2 ARG 22 2HH2 ARG 22 -25.184 -0.196 1.051 143 HA PRO 23 HA PRO 23 -20.169 2.532 -2.462 144 1HB PRO 23 HB2 PRO 23 -18.110 4.035 -3.491 145 2HB PRO 23 HB1 PRO 23 -19.334 4.681 -2.384 146 1HG PRO 23 HG2 PRO 23 -16.485 4.004 -1.840 147 2HG PRO 23 HG1 PRO 23 -17.542 5.154 -1.008 148 1HD PRO 23 HD2 PRO 23 -16.847 2.556 -0.103 149 2HD PRO 23 HD1 PRO 23 -18.111 3.602 0.579 150 H GLY 24 H GLY 24 -18.684 2.695 -4.811 151 1HA GLY 24 HA2 GLY 24 -17.775 -0.100 -5.097 152 2HA GLY 24 HA1 GLY 24 -18.069 1.031 -6.418 153 H ALA 25 H ALA 25 -16.201 2.126 -3.711 154 HA ALA 25 HA ALA 25 -13.933 2.763 -5.356 155 1HB ALA 25 HB1 ALA 25 -12.840 3.063 -3.001 156 2HB ALA 25 HB2 ALA 25 -14.464 2.753 -2.388 157 3HB ALA 25 HB3 ALA 25 -14.171 4.127 -3.452 158 H GLN 26 H GLN 26 -11.935 1.682 -5.552 159 HA GLN 26 HA GLN 26 -12.004 -1.193 -4.927 160 1HB GLN 26 HB2 GLN 26 -10.640 0.520 -6.814 161 2HB GLN 26 HB1 GLN 26 -9.467 -0.474 -5.950 162 1HG GLN 26 HG2 GLN 26 -10.062 -1.938 -7.644 163 2HG GLN 26 HG1 GLN 26 -11.248 -2.384 -6.415 164 1HE2 GLN 26 1HE2 GLN 26 -10.899 -1.246 -9.637 165 2HE2 GLN 26 2HE2 GLN 26 -12.521 -0.833 -9.910 166 H CYS 27 H CYS 27 -10.933 1.652 -3.430 167 HA CYS 27 HA CYS 27 -9.699 0.162 -1.255 168 1HB CYS 27 HB2 CYS 27 -7.504 1.430 -1.462 169 2HB CYS 27 HB1 CYS 27 -7.759 0.175 -2.675 170 H GLY 28 H GLY 28 -10.386 1.258 0.516 171 1HA GLY 28 HA2 GLY 28 -11.473 3.921 0.305 172 2HA GLY 28 HA1 GLY 28 -11.239 3.034 1.811 173 H GLU 29 H GLU 29 -8.396 2.584 1.395 174 HA GLU 29 HA GLU 29 -7.083 5.143 1.013 175 1HB GLU 29 HB2 GLU 29 -8.301 5.226 3.325 176 2HB GLU 29 HB1 GLU 29 -7.010 4.148 3.852 177 1HG GLU 29 HG2 GLU 29 -5.577 5.874 3.998 178 2HG GLU 29 HG1 GLU 29 -5.882 6.303 2.315 179 H GLY 30 H GLY 30 -4.714 4.937 1.456 180 1HA GLY 30 HA2 GLY 30 -3.292 2.770 2.376 181 2HA GLY 30 HA1 GLY 30 -3.787 2.252 0.765 182 H LEU 31 H LEU 31 -1.120 2.467 1.130 183 HA LEU 31 HA LEU 31 -0.048 5.097 0.594 184 1HB LEU 31 HB2 LEU 31 1.005 2.300 0.605 185 2HB LEU 31 HB1 LEU 31 1.934 3.523 -0.260 186 HG LEU 31 HG LEU 31 2.711 3.398 2.053 187 1HD1 LEU 31 1HD1 LEU 31 1.735 5.727 0.759 188 2HD1 LEU 31 2HD1 LEU 31 2.997 5.630 1.987 189 3HD1 LEU 31 3HD1 LEU 31 1.318 5.884 2.465 190 1HD2 LEU 31 1HD2 LEU 31 -0.124 4.145 2.832 191 2HD2 LEU 31 2HD2 LEU 31 1.221 3.807 3.923 192 3HD2 LEU 31 3HD2 LEU 31 0.530 2.511 2.948 193 H CYS 32 H CYS 32 -1.555 2.702 -1.385 194 HA CYS 32 HA CYS 32 -0.741 4.276 -3.791 195 1HB CYS 32 HB2 CYS 32 -1.195 1.287 -3.809 196 2HB CYS 32 HB1 CYS 32 -0.490 2.283 -5.083 197 H CYS 33 H CYS 33 -3.067 4.914 -2.490 198 HA CYS 33 HA CYS 33 -5.127 3.757 -4.321 199 1HB CYS 33 HB2 CYS 33 -5.507 2.879 -2.059 200 2HB CYS 33 HB1 CYS 33 -5.498 4.514 -1.404 201 H GLU 34 H GLU 34 -5.546 5.397 -5.723 202 HA GLU 34 HA GLU 34 -5.785 8.159 -4.606 203 1HB GLU 34 HB2 GLU 34 -5.064 7.199 -7.390 204 2HB GLU 34 HB1 GLU 34 -5.391 8.886 -6.993 205 1HG GLU 34 HG2 GLU 34 -3.600 8.327 -5.056 206 2HG GLU 34 HG1 GLU 34 -3.045 7.196 -6.291 207 H GLN 35 H GLN 35 -7.739 9.196 -4.869 208 HA GLN 35 HA GLN 35 -10.003 9.468 -5.406 209 1HB GLN 35 HB2 GLN 35 -8.761 8.291 -7.814 210 2HB GLN 35 HB1 GLN 35 -10.507 8.066 -7.699 211 1HG GLN 35 HG2 GLN 35 -9.203 10.756 -7.250 212 2HG GLN 35 HG1 GLN 35 -9.713 10.216 -8.850 213 1HE2 GLN 35 1HE2 GLN 35 -12.063 9.788 -9.162 214 2HE2 GLN 35 2HE2 GLN 35 -13.201 10.514 -8.133 215 H CYS 36 H CYS 36 -8.990 7.096 -3.859 216 HA CYS 36 HA CYS 36 -9.937 5.199 -2.860 217 1HB CYS 36 HB2 CYS 36 -12.287 6.611 -4.062 218 2HB CYS 36 HB1 CYS 36 -12.512 4.967 -3.471 219 H LYS 37 H LYS 37 -8.589 4.898 -5.359 220 HA LYS 37 HA LYS 37 -9.947 2.437 -6.326 221 1HB LYS 37 HB2 LYS 37 -10.275 4.651 -7.798 222 2HB LYS 37 HB1 LYS 37 -8.680 4.186 -8.390 223 1HG LYS 37 HG2 LYS 37 -9.467 2.046 -9.112 224 2HG LYS 37 HG1 LYS 37 -10.997 2.246 -8.256 225 1HD LYS 37 HD2 LYS 37 -11.180 4.406 -9.793 226 2HD LYS 37 HD1 LYS 37 -10.086 3.483 -10.824 227 1HE LYS 37 HE2 LYS 37 -11.636 1.742 -11.123 228 2HE LYS 37 HE1 LYS 37 -12.571 2.204 -9.701 229 1HZ LYS 37 HZ1 LYS 37 -12.606 3.321 -12.395 230 2HZ LYS 37 HZ2 LYS 37 -12.810 4.412 -11.110 231 3HZ LYS 37 HZ3 LYS 37 -13.878 3.104 -11.295 232 H PHE 38 H PHE 38 -8.438 0.894 -7.218 233 HA PHE 38 HA PHE 38 -5.812 0.994 -6.037 234 1HB PHE 38 HB2 PHE 38 -7.060 -0.812 -8.120 235 2HB PHE 38 HB1 PHE 38 -5.401 -1.021 -7.563 236 HD1 PHE 38 HD2 PHE 38 -5.698 -0.275 -4.684 237 HD2 PHE 38 HD1 PHE 38 -8.175 -2.696 -7.225 238 HE1 PHE 38 HE2 PHE 38 -6.517 -1.519 -2.702 239 HE2 PHE 38 HE1 PHE 38 -8.992 -3.941 -5.243 240 HZ PHE 38 HZ PHE 38 -8.163 -3.351 -2.980 241 H SER 39 H SER 39 -4.250 2.363 -6.774 242 HA SER 39 HA SER 39 -4.240 3.661 -9.292 243 1HB SER 39 HB2 SER 39 -1.539 3.199 -8.381 244 2HB SER 39 HB1 SER 39 -2.462 4.698 -8.377 245 HG SER 39 HG SER 39 -1.970 2.905 -6.357 246 H ARG 40 H ARG 40 -1.737 3.138 -10.464 247 HA ARG 40 HA ARG 40 -2.194 0.366 -11.491 248 1HB ARG 40 HB2 ARG 40 -1.123 2.867 -12.808 249 2HB ARG 40 HB1 ARG 40 -0.852 1.267 -13.501 250 1HG ARG 40 HG2 ARG 40 -2.861 1.550 -14.509 251 2HG ARG 40 HG1 ARG 40 -3.552 1.218 -12.920 252 1HD ARG 40 HD2 ARG 40 -2.871 3.895 -12.746 253 2HD ARG 40 HD1 ARG 40 -3.435 3.741 -14.409 254 HE ARG 40 HE ARG 40 -5.280 2.415 -12.667 255 1HH1 ARG 40 1HH2 ARG 40 -5.556 4.658 -14.865 256 2HH1 ARG 40 2HH2 ARG 40 -6.396 5.857 -13.938 257 1HH2 ARG 40 1HH1 ARG 40 -5.749 4.335 -10.890 258 2HH2 ARG 40 2HH1 ARG 40 -6.508 5.672 -11.687 259 H ALA 41 H ALA 41 -0.300 -0.949 -11.875 260 HA ALA 41 HA ALA 41 1.663 -0.940 -9.884 261 1HB ALA 41 HB1 ALA 41 2.212 -2.848 -10.941 262 2HB ALA 41 HB2 ALA 41 2.874 -1.920 -12.287 263 3HB ALA 41 HB3 ALA 41 1.174 -2.390 -12.292 264 H GLY 42 H GLY 42 4.153 -0.687 -10.496 265 1HA GLY 42 HA2 GLY 42 5.885 0.792 -11.115 266 2HA GLY 42 HA1 GLY 42 4.800 1.448 -12.337 267 H LYS 43 H LYS 43 3.757 1.275 -9.006 268 HA LYS 43 HA LYS 43 3.877 4.266 -8.939 269 1HB LYS 43 HB2 LYS 43 1.619 3.290 -8.765 270 2HB LYS 43 HB1 LYS 43 2.132 2.358 -7.362 271 1HG LYS 43 HG2 LYS 43 1.037 4.287 -6.486 272 2HG LYS 43 HG1 LYS 43 2.763 4.577 -6.278 273 1HD LYS 43 HD2 LYS 43 2.813 6.239 -7.862 274 2HD LYS 43 HD1 LYS 43 1.562 5.480 -8.847 275 1HE LYS 43 HE2 LYS 43 -0.056 6.711 -7.874 276 2HE LYS 43 HE1 LYS 43 0.508 6.274 -6.261 277 1HZ LYS 43 HZ1 LYS 43 2.075 8.205 -7.807 278 2HZ LYS 43 HZ2 LYS 43 1.848 8.091 -6.127 279 3HZ LYS 43 HZ3 LYS 43 0.621 8.732 -7.112 280 H ILE 44 H ILE 44 5.487 5.063 -7.698 281 HA ILE 44 HA ILE 44 7.016 3.480 -5.863 282 HB ILE 44 HB ILE 44 8.011 5.441 -6.878 283 1HG1 ILE 44 2HG1 ILE 44 8.519 6.800 -4.696 284 2HG1 ILE 44 1HG1 ILE 44 7.578 5.542 -3.897 285 1HG2 ILE 44 1HG2 ILE 44 5.460 6.596 -6.204 286 2HG2 ILE 44 2HG2 ILE 44 6.717 7.239 -7.260 287 3HG2 ILE 44 3HG2 ILE 44 6.750 7.593 -5.534 288 1HD1 ILE 44 1HD1 ILE 44 9.132 3.897 -4.348 289 2HD1 ILE 44 2HD1 ILE 44 10.210 5.290 -4.261 290 3HD1 ILE 44 3HD1 ILE 44 9.684 4.678 -5.829 291 H CYS 45 H CYS 45 6.453 2.867 -3.825 292 HA CYS 45 HA CYS 45 4.320 4.457 -2.455 293 1HB CYS 45 HB2 CYS 45 4.091 2.292 -1.062 294 2HB CYS 45 HB1 CYS 45 3.476 2.268 -2.714 295 H ARG 46 H ARG 46 7.606 3.448 -2.312 296 HA ARG 46 HA ARG 46 7.922 4.922 0.225 297 1HB ARG 46 HB2 ARG 46 8.290 1.974 -0.067 298 2HB ARG 46 HB1 ARG 46 9.490 2.847 0.887 299 1HG ARG 46 HG2 ARG 46 7.489 3.930 2.094 300 2HG ARG 46 HG1 ARG 46 6.512 2.664 1.351 301 1HD ARG 46 HD2 ARG 46 7.699 0.938 2.469 302 2HD ARG 46 HD1 ARG 46 9.014 2.024 2.917 303 HE ARG 46 HE ARG 46 6.588 2.986 4.081 304 1HH1 ARG 46 1HH2 ARG 46 7.501 -0.192 4.191 305 2HH1 ARG 46 2HH2 ARG 46 7.829 -0.248 5.890 306 1HH2 ARG 46 1HH1 ARG 46 7.592 3.184 6.319 307 2HH2 ARG 46 2HH1 ARG 46 7.876 1.661 7.095 308 H ILE 47 H ILE 47 10.138 5.596 0.556 309 HA ILE 47 HA ILE 47 11.891 5.144 -1.819 310 HB ILE 47 HB ILE 47 10.729 7.442 -1.649 311 1HG1 ILE 47 2HG1 ILE 47 13.746 7.579 -1.660 312 2HG1 ILE 47 1HG1 ILE 47 12.854 6.789 -2.962 313 1HG2 ILE 47 1HG2 ILE 47 11.368 7.489 0.896 314 2HG2 ILE 47 2HG2 ILE 47 11.450 8.979 -0.042 315 3HG2 ILE 47 3HG2 ILE 47 12.923 8.074 0.306 316 1HD1 ILE 47 1HD1 ILE 47 12.471 9.656 -2.050 317 2HD1 ILE 47 2HD1 ILE 47 11.569 8.864 -3.341 318 3HD1 ILE 47 3HD1 ILE 47 13.301 9.149 -3.520 319 HA PRO 48 HA PRO 48 14.605 3.949 1.525 320 1HB PRO 48 HB2 PRO 48 16.612 3.023 -0.111 321 2HB PRO 48 HB1 PRO 48 15.155 2.092 0.276 322 1HG PRO 48 HG2 PRO 48 15.865 3.504 -2.254 323 2HG PRO 48 HG1 PRO 48 14.808 2.103 -2.009 324 1HD PRO 48 HD2 PRO 48 13.954 4.771 -2.420 325 2HD PRO 48 HD1 PRO 48 12.942 3.426 -1.850 326 H ARG 49 H ARG 49 16.491 4.883 2.451 327 HA ARG 49 HA ARG 49 17.189 7.532 1.537 328 1HB ARG 49 HB2 ARG 49 17.679 5.879 3.854 329 2HB ARG 49 HB1 ARG 49 19.188 6.621 3.319 330 1HG ARG 49 HG2 ARG 49 18.038 8.109 4.893 331 2HG ARG 49 HG1 ARG 49 18.060 8.836 3.286 332 1HD ARG 49 HD2 ARG 49 15.819 9.005 3.396 333 2HD ARG 49 HD1 ARG 49 15.733 7.244 3.373 334 HE ARG 49 HE ARG 49 16.087 8.676 5.966 335 1HH1 ARG 49 1HH1 ARG 49 15.769 5.722 5.940 336 2HH1 ARG 49 2HH1 ARG 49 14.071 5.522 6.222 337 1HH2 ARG 49 1HH2 ARG 49 13.285 8.807 5.427 338 2HH2 ARG 49 2HH2 ARG 49 12.665 7.271 5.936 339 H GLY 50 H GLY 50 18.226 4.441 0.586 340 1HA GLY 50 HA2 GLY 50 19.712 4.720 -1.520 341 2HA GLY 50 HA1 GLY 50 20.822 5.528 -0.414 342 H GLU 51 H GLU 51 19.526 2.455 -1.430 343 HA GLU 51 HA GLU 51 21.735 0.901 -0.793 344 1HB GLU 51 HB2 GLU 51 21.567 1.396 1.544 345 2HB GLU 51 HB1 GLU 51 19.824 1.136 1.541 346 1HG GLU 51 HG2 GLU 51 20.194 -1.256 1.007 347 2HG GLU 51 HG1 GLU 51 21.937 -0.986 1.053 348 H MET 52 H MET 52 18.275 1.151 -0.966 349 HA MET 52 HA MET 52 18.201 -1.569 -2.196 350 1HB MET 52 HB2 MET 52 16.348 -2.199 -0.949 351 2HB MET 52 HB1 MET 52 17.139 -1.148 0.218 352 1HG MET 52 HG2 MET 52 15.720 0.747 -0.895 353 2HG MET 52 HG1 MET 52 14.729 -0.584 -1.492 354 1HE MET 52 HE1 MET 52 12.266 -0.841 1.099 355 2HE MET 52 HE2 MET 52 12.882 -1.329 -0.479 356 3HE MET 52 HE3 MET 52 12.595 0.376 -0.140 357 HA PRO 53 HA PRO 53 16.073 0.363 -5.509 358 1HB PRO 53 HB2 PRO 53 14.236 -1.561 -6.217 359 2HB PRO 53 HB1 PRO 53 15.970 -1.680 -6.561 360 1HG PRO 53 HG2 PRO 53 14.362 -3.129 -4.517 361 2HG PRO 53 HG1 PRO 53 15.882 -3.603 -5.291 362 1HD PRO 53 HD2 PRO 53 15.596 -2.531 -2.683 363 2HD PRO 53 HD1 PRO 53 17.122 -2.738 -3.568 364 H ASP 54 H ASP 54 14.274 1.672 -5.937 365 HA ASP 54 HA ASP 54 12.608 2.509 -3.832 366 1HB ASP 54 HB2 ASP 54 12.128 2.654 -6.821 367 2HB ASP 54 HB1 ASP 54 11.212 3.562 -5.618 368 H ASP 55 H ASP 55 10.439 2.062 -3.282 369 HA ASP 55 HA ASP 55 9.545 -0.662 -3.887 370 1HB ASP 55 HB2 ASP 55 8.154 1.541 -2.326 371 2HB ASP 55 HB1 ASP 55 7.710 -0.167 -2.335 372 H ARG 56 H ARG 56 7.515 -1.135 -4.974 373 HA ARG 56 HA ARG 56 6.328 1.126 -6.513 374 1HB ARG 56 HB2 ARG 56 8.199 -0.294 -7.728 375 2HB ARG 56 HB1 ARG 56 6.886 -1.458 -7.920 376 1HG ARG 56 HG2 ARG 56 6.117 -0.257 -9.646 377 2HG ARG 56 HG1 ARG 56 5.811 1.087 -8.545 378 1HD ARG 56 HD2 ARG 56 7.262 1.964 -10.222 379 2HD ARG 56 HD1 ARG 56 8.286 1.680 -8.815 380 HE ARG 56 HE ARG 56 8.586 -0.661 -10.164 381 1HH1 ARG 56 1HH2 ARG 56 9.648 2.501 -10.483 382 2HH1 ARG 56 2HH2 ARG 56 10.301 2.311 -12.076 383 1HH2 ARG 56 1HH1 ARG 56 8.982 -0.864 -12.526 384 2HH2 ARG 56 2HH1 ARG 56 9.921 0.406 -13.233 385 H CYS 57 H CYS 57 4.155 1.027 -6.334 386 HA CYS 57 HA CYS 57 2.815 -1.214 -5.113 387 1HB CYS 57 HB2 CYS 57 1.386 0.792 -6.845 388 2HB CYS 57 HB1 CYS 57 0.831 0.017 -5.367 389 H THR 58 H THR 58 1.436 -2.753 -6.143 390 HA THR 58 HA THR 58 2.339 -3.515 -8.820 391 HB THR 58 HB THR 58 0.785 -5.462 -8.455 392 HG1 THR 58 HG1 THR 58 0.301 -5.357 -5.962 393 1HG2 THR 58 1HG2 THR 58 2.084 -6.182 -6.267 394 2HG2 THR 58 2HG2 THR 58 2.986 -4.699 -6.573 395 3HG2 THR 58 3HG2 THR 58 2.948 -5.975 -7.790 396 H GLY 59 H GLY 59 0.072 -1.350 -7.771 397 1HA GLY 59 HA2 GLY 59 -1.468 -0.173 -9.170 398 2HA GLY 59 HA1 GLY 59 -1.318 -1.459 -10.368 399 H GLN 60 H GLN 60 -1.720 -3.309 -7.854 400 HA GLN 60 HA GLN 60 -4.704 -3.083 -7.862 401 1HB GLN 60 HB2 GLN 60 -2.887 -5.495 -7.928 402 2HB GLN 60 HB1 GLN 60 -4.558 -5.620 -7.376 403 1HG GLN 60 HG2 GLN 60 -5.431 -5.176 -9.469 404 2HG GLN 60 HG1 GLN 60 -4.042 -4.203 -9.956 405 1HE2 GLN 60 1HE2 GLN 60 -5.226 -7.535 -9.634 406 2HE2 GLN 60 2HE2 GLN 60 -3.989 -8.246 -10.554 407 H SER 61 H SER 61 -1.857 -3.049 -5.999 408 HA SER 61 HA SER 61 -3.324 -3.775 -3.509 409 1HB SER 61 HB2 SER 61 -1.183 -4.866 -3.700 410 2HB SER 61 HB1 SER 61 -0.384 -3.351 -4.104 411 HG SER 61 HG SER 61 -0.255 -4.120 -1.842 412 H ALA 62 H ALA 62 -4.369 -2.048 -2.620 413 HA ALA 62 HA ALA 62 -3.705 0.689 -3.144 414 1HB ALA 62 HB1 ALA 62 -5.357 -0.662 -1.003 415 2HB ALA 62 HB2 ALA 62 -5.921 0.271 -2.389 416 3HB ALA 62 HB3 ALA 62 -5.136 1.087 -1.037 417 H ASP 63 H ASP 63 -2.534 -1.640 -0.834 418 HA ASP 63 HA ASP 63 -1.039 0.499 0.607 419 1HB ASP 63 HB2 ASP 63 -1.438 -2.428 1.308 420 2HB ASP 63 HB1 ASP 63 -0.596 -1.240 2.304 421 H CYS 64 H CYS 64 1.276 -0.276 1.249 422 HA CYS 64 HA CYS 64 2.500 -1.606 -1.134 423 1HB CYS 64 HB2 CYS 64 3.039 0.794 -1.000 424 2HB CYS 64 HB1 CYS 64 3.684 0.562 0.623 425 HA PRO 65 HA PRO 65 3.771 -4.477 1.977 426 1HB PRO 65 HB2 PRO 65 4.713 -6.286 0.150 427 2HB PRO 65 HB1 PRO 65 3.006 -6.134 0.571 428 1HG PRO 65 HG2 PRO 65 4.426 -5.317 -1.904 429 2HG PRO 65 HG1 PRO 65 2.705 -5.665 -1.662 430 1HD PRO 65 HD2 PRO 65 3.907 -3.093 -1.842 431 2HD PRO 65 HD1 PRO 65 2.231 -3.449 -1.380 432 H ARG 66 H ARG 66 5.880 -5.469 2.588 433 HA ARG 66 HA ARG 66 8.132 -3.712 1.834 434 1HB ARG 66 HB2 ARG 66 7.499 -5.559 4.070 435 2HB ARG 66 HB1 ARG 66 9.199 -5.473 3.607 436 1HG ARG 66 HG2 ARG 66 8.973 -2.939 3.708 437 2HG ARG 66 HG1 ARG 66 7.404 -3.195 4.471 438 1HD ARG 66 HD2 ARG 66 9.029 -2.924 6.236 439 2HD ARG 66 HD1 ARG 66 8.567 -4.625 6.195 440 HE ARG 66 HE ARG 66 10.844 -4.288 4.521 441 1HH1 ARG 66 1HH2 ARG 66 11.027 -2.644 7.269 442 2HH1 ARG 66 2HH2 ARG 66 12.073 -3.721 8.135 443 1HH2 ARG 66 1HH1 ARG 66 11.707 -6.324 5.875 444 2HH2 ARG 66 2HH1 ARG 66 12.456 -5.804 7.348 445 H TYR 67 H TYR 67 9.101 -4.327 -0.063 446 HA TYR 67 HA TYR 67 9.166 -7.066 -0.987 447 1HB TYR 67 HB2 TYR 67 9.263 -5.277 -2.613 448 2HB TYR 67 HB1 TYR 67 10.701 -4.598 -1.848 449 HD1 TYR 67 HD2 TYR 67 9.489 -7.843 -3.299 450 HD2 TYR 67 HD1 TYR 67 12.784 -5.148 -2.731 451 HE1 TYR 67 HE2 TYR 67 10.924 -9.302 -4.698 452 HE2 TYR 67 HE1 TYR 67 14.219 -6.606 -4.132 453 HH TYR 67 HH TYR 67 13.059 -8.925 -6.155 454 H HIS 68 H HIS 68 10.093 -8.048 1.003 455 HA HIS 68 HA HIS 68 11.893 -8.954 2.207 456 1HB HIS 68 HB2 HIS 68 13.352 -8.176 -0.337 457 2HB HIS 68 HB1 HIS 68 14.009 -9.224 0.921 458 HD1 HIS 68 HD1 HIS 68 13.970 -10.896 -1.326 459 HD2 HIS 68 HD2 HIS 68 10.339 -10.069 0.546 460 HE1 HIS 68 HE1 HIS 68 12.353 -12.698 -2.071 Start of MODEL 8 1 1H GLY 1 HT1 GLY 1 -16.509 -12.849 -0.530 2 2H GLY 1 HT2 GLY 1 -15.159 -12.403 -1.459 3 3H GLY 1 HT3 GLY 1 -16.720 -11.938 -1.944 4 1HA GLY 1 HA1 GLY 1 -15.267 -10.188 -0.821 5 2HA GLY 1 HA2 GLY 1 -16.933 -10.364 -0.272 6 H LYS 2 H LYS 2 -14.778 -9.342 1.346 7 HA LYS 2 HA LYS 2 -14.416 -11.558 3.319 8 1HB LYS 2 HB2 LYS 2 -12.924 -8.944 3.411 9 2HB LYS 2 HB1 LYS 2 -12.442 -10.517 4.049 10 1HG LYS 2 HG2 LYS 2 -12.700 -9.836 1.104 11 2HG LYS 2 HG1 LYS 2 -11.180 -9.937 1.993 12 1HD LYS 2 HD2 LYS 2 -13.155 -12.225 1.786 13 2HD LYS 2 HD1 LYS 2 -11.766 -12.033 0.715 14 1HE LYS 2 HE2 LYS 2 -10.626 -11.728 3.205 15 2HE LYS 2 HE1 LYS 2 -11.863 -12.947 3.508 16 1HZ LYS 2 HZ1 LYS 2 -10.099 -13.169 1.159 17 2HZ LYS 2 HZ2 LYS 2 -10.938 -14.392 1.989 18 3HZ LYS 2 HZ3 LYS 2 -9.557 -13.686 2.681 19 H GLU 3 H GLU 3 -13.960 -10.098 5.606 20 HA GLU 3 HA GLU 3 -16.627 -8.841 6.038 21 1HB GLU 3 HB2 GLU 3 -14.743 -10.405 7.736 22 2HB GLU 3 HB1 GLU 3 -15.667 -9.133 8.536 23 1HG GLU 3 HG2 GLU 3 -17.569 -10.364 6.949 24 2HG GLU 3 HG1 GLU 3 -16.575 -11.716 7.488 25 H CYS 4 H CYS 4 -13.271 -8.140 5.860 26 HA CYS 4 HA CYS 4 -13.868 -5.356 6.709 27 1HB CYS 4 HB2 CYS 4 -11.961 -7.229 7.961 28 2HB CYS 4 HB1 CYS 4 -11.285 -5.646 7.574 29 H ASP 5 H ASP 5 -13.649 -4.423 4.692 30 HA ASP 5 HA ASP 5 -11.458 -5.251 2.913 31 1HB ASP 5 HB2 ASP 5 -13.964 -4.278 2.424 32 2HB ASP 5 HB1 ASP 5 -12.995 -2.815 2.245 33 H CYS 6 H CYS 6 -11.731 -3.193 5.536 34 HA CYS 6 HA CYS 6 -9.251 -1.796 4.724 35 1HB CYS 6 HB2 CYS 6 -10.061 0.387 5.166 36 2HB CYS 6 HB1 CYS 6 -11.313 -0.362 4.180 37 H SER 7 H SER 7 -8.483 -0.442 6.768 38 HA SER 7 HA SER 7 -9.017 -2.136 9.177 39 1HB SER 7 HB2 SER 7 -6.414 -0.786 8.410 40 2HB SER 7 HB1 SER 7 -6.682 -1.800 9.826 41 HG SER 7 HG SER 7 -7.197 -3.507 8.375 42 H SER 8 H SER 8 -8.927 1.088 7.905 43 HA SER 8 HA SER 8 -8.948 2.196 10.668 44 1HB SER 8 HB2 SER 8 -8.581 3.535 7.980 45 2HB SER 8 HB1 SER 8 -8.671 4.402 9.508 46 HG SER 8 HG SER 8 -6.844 2.294 8.993 47 HA PRO 9 HA PRO 9 -13.372 2.516 9.901 48 1HB PRO 9 HB2 PRO 9 -14.008 2.949 12.537 49 2HB PRO 9 HB1 PRO 9 -13.709 1.340 11.856 50 1HG PRO 9 HG2 PRO 9 -11.965 2.978 13.631 51 2HG PRO 9 HG1 PRO 9 -12.015 1.221 13.419 52 1HD PRO 9 HD2 PRO 9 -10.104 2.993 12.289 53 2HD PRO 9 HD1 PRO 9 -10.333 1.282 11.867 54 H GLU 10 H GLU 10 -11.547 4.821 9.524 55 HA GLU 10 HA GLU 10 -13.462 6.957 10.206 56 1HB GLU 10 HB2 GLU 10 -11.078 6.534 11.725 57 2HB GLU 10 HB1 GLU 10 -10.848 7.992 10.758 58 1HG GLU 10 HG2 GLU 10 -12.661 9.091 11.738 59 2HG GLU 10 HG1 GLU 10 -13.433 7.584 12.234 60 H ASN 11 H ASN 11 -12.136 5.460 7.875 61 HA ASN 11 HA ASN 11 -10.906 7.773 6.462 62 1HB ASN 11 HB2 ASN 11 -10.374 5.935 4.742 63 2HB ASN 11 HB1 ASN 11 -9.532 5.837 6.289 64 1HD2 ASN 11 1HD2 ASN 11 -9.358 3.450 5.765 65 2HD2 ASN 11 2HD2 ASN 11 -10.674 2.449 6.142 66 HA PRO 12 HA PRO 12 -14.555 8.262 4.052 67 1HB PRO 12 HB2 PRO 12 -13.436 9.655 1.965 68 2HB PRO 12 HB1 PRO 12 -13.750 10.362 3.560 69 1HG PRO 12 HG2 PRO 12 -11.153 9.549 2.350 70 2HG PRO 12 HG1 PRO 12 -11.476 10.750 3.611 71 1HD PRO 12 HD2 PRO 12 -10.483 8.117 4.011 72 2HD PRO 12 HD1 PRO 12 -11.058 9.230 5.271 73 H CYS 13 H CYS 13 -12.596 5.838 3.454 74 HA CYS 13 HA CYS 13 -13.525 5.436 0.639 75 1HB CYS 13 HB2 CYS 13 -11.127 4.222 2.042 76 2HB CYS 13 HB1 CYS 13 -11.632 3.865 0.391 77 H CYS 14 H CYS 14 -13.305 3.999 3.865 78 HA CYS 14 HA CYS 14 -15.106 1.844 2.854 79 1HB CYS 14 HB2 CYS 14 -14.036 0.219 4.182 80 2HB CYS 14 HB1 CYS 14 -12.704 1.159 3.517 81 H ASP 15 H ASP 15 -16.729 1.116 4.285 82 HA ASP 15 HA ASP 15 -17.816 3.209 5.985 83 1HB ASP 15 HB2 ASP 15 -19.037 1.401 4.525 84 2HB ASP 15 HB1 ASP 15 -18.826 0.382 5.944 85 H ALA 16 H ALA 16 -17.743 3.320 8.209 86 HA ALA 16 HA ALA 16 -15.914 1.471 9.592 87 1HB ALA 16 HB1 ALA 16 -17.207 4.091 10.209 88 2HB ALA 16 HB2 ALA 16 -15.530 3.589 10.425 89 3HB ALA 16 HB3 ALA 16 -16.762 3.064 11.572 90 H ALA 17 H ALA 17 -19.289 1.848 9.083 91 HA ALA 17 HA ALA 17 -20.161 0.513 11.519 92 1HB ALA 17 HB1 ALA 17 -22.078 1.452 10.791 93 2HB ALA 17 HB2 ALA 17 -22.149 0.190 9.560 94 3HB ALA 17 HB3 ALA 17 -21.390 1.739 9.193 95 H THR 18 H THR 18 -19.209 -0.478 8.285 96 HA THR 18 HA THR 18 -19.692 -3.312 9.114 97 HB THR 18 HB THR 18 -21.198 -2.654 7.279 98 HG1 THR 18 HG1 THR 18 -19.127 -4.475 6.913 99 1HG2 THR 18 1HG2 THR 18 -20.253 -0.933 6.073 100 2HG2 THR 18 2HG2 THR 18 -19.821 -2.283 5.023 101 3HG2 THR 18 3HG2 THR 18 -18.634 -1.626 6.150 102 H CYS 19 H CYS 19 -17.325 -1.067 8.635 103 HA CYS 19 HA CYS 19 -15.015 -1.230 8.205 104 1HB CYS 19 HB2 CYS 19 -15.187 -2.886 10.033 105 2HB CYS 19 HB1 CYS 19 -15.593 -4.140 8.864 106 H LYS 20 H LYS 20 -16.790 -1.428 5.920 107 HA LYS 20 HA LYS 20 -14.975 -2.960 4.131 108 1HB LYS 20 HB2 LYS 20 -17.937 -3.366 4.452 109 2HB LYS 20 HB1 LYS 20 -17.159 -3.696 2.903 110 1HG LYS 20 HG2 LYS 20 -15.638 -4.819 5.112 111 2HG LYS 20 HG1 LYS 20 -17.293 -5.426 5.102 112 1HD LYS 20 HD2 LYS 20 -15.565 -5.362 2.620 113 2HD LYS 20 HD1 LYS 20 -15.633 -6.756 3.700 114 1HE LYS 20 HE2 LYS 20 -18.248 -6.450 3.398 115 2HE LYS 20 HE1 LYS 20 -17.760 -5.639 1.911 116 1HZ LYS 20 HZ1 LYS 20 -16.268 -7.998 2.185 117 2HZ LYS 20 HZ2 LYS 20 -17.401 -7.599 0.984 118 3HZ LYS 20 HZ3 LYS 20 -17.905 -8.382 2.405 119 H LEU 21 H LEU 21 -14.921 -2.149 1.981 120 HA LEU 21 HA LEU 21 -15.072 0.581 1.579 121 1HB LEU 21 HB2 LEU 21 -15.367 -1.712 -0.338 122 2HB LEU 21 HB1 LEU 21 -15.466 -0.044 -0.906 123 HG LEU 21 HG LEU 21 -13.216 -0.574 0.925 124 1HD1 LEU 21 1HD1 LEU 21 -13.486 -2.680 -0.544 125 2HD1 LEU 21 2HD1 LEU 21 -11.911 -1.887 -0.547 126 3HD1 LEU 21 3HD1 LEU 21 -13.028 -1.639 -1.890 127 1HD2 LEU 21 1HD2 LEU 21 -13.973 1.308 -1.022 128 2HD2 LEU 21 2HD2 LEU 21 -12.599 0.453 -1.720 129 3HD2 LEU 21 3HD2 LEU 21 -12.440 1.248 -0.153 130 H ARG 22 H ARG 22 -16.673 2.054 1.257 131 HA ARG 22 HA ARG 22 -19.461 1.056 1.314 132 1HB ARG 22 HB2 ARG 22 -18.210 3.202 2.560 133 2HB ARG 22 HB1 ARG 22 -19.142 3.958 1.267 134 1HG ARG 22 HG2 ARG 22 -21.173 2.836 2.014 135 2HG ARG 22 HG1 ARG 22 -20.268 1.970 3.256 136 1HD ARG 22 HD2 ARG 22 -19.689 4.093 4.344 137 2HD ARG 22 HD1 ARG 22 -20.541 4.985 3.084 138 HE ARG 22 HE ARG 22 -21.804 3.402 5.239 139 1HH1 ARG 22 1HH2 ARG 22 -22.297 6.314 4.216 140 2HH1 ARG 22 2HH2 ARG 22 -23.876 6.122 3.532 141 1HH2 ARG 22 1HH1 ARG 22 -23.744 2.657 3.533 142 2HH2 ARG 22 2HH1 ARG 22 -24.696 4.051 3.146 143 HA PRO 23 HA PRO 23 -19.606 3.703 -2.628 144 1HB PRO 23 HB2 PRO 23 -17.314 4.963 -3.463 145 2HB PRO 23 HB1 PRO 23 -18.471 5.691 -2.336 146 1HG PRO 23 HG2 PRO 23 -15.771 4.574 -1.782 147 2HG PRO 23 HG1 PRO 23 -16.696 5.777 -0.868 148 1HD PRO 23 HD2 PRO 23 -16.394 3.016 -0.233 149 2HD PRO 23 HD1 PRO 23 -17.484 4.173 0.558 150 H GLY 24 H GLY 24 -18.337 3.701 -4.970 151 1HA GLY 24 HA2 GLY 24 -17.714 0.892 -5.450 152 2HA GLY 24 HA1 GLY 24 -17.739 2.168 -6.669 153 H ALA 25 H ALA 25 -15.848 1.569 -3.685 154 HA ALA 25 HA ALA 25 -13.409 2.368 -5.195 155 1HB ALA 25 HB1 ALA 25 -12.601 2.107 -2.600 156 2HB ALA 25 HB2 ALA 25 -14.293 2.550 -2.379 157 3HB ALA 25 HB3 ALA 25 -13.217 3.606 -3.291 158 H GLN 26 H GLN 26 -11.510 1.029 -5.067 159 HA GLN 26 HA GLN 26 -12.174 -1.841 -4.789 160 1HB GLN 26 HB2 GLN 26 -10.520 -0.366 -6.525 161 2HB GLN 26 HB1 GLN 26 -9.421 -1.300 -5.509 162 1HG GLN 26 HG2 GLN 26 -9.856 -2.954 -7.025 163 2HG GLN 26 HG1 GLN 26 -11.298 -3.187 -6.036 164 1HE2 GLN 26 1HE2 GLN 26 -13.200 -1.602 -6.744 165 2HE2 GLN 26 2HE2 GLN 26 -13.437 -1.459 -8.419 166 H CYS 27 H CYS 27 -10.665 0.665 -2.987 167 HA CYS 27 HA CYS 27 -9.927 -1.294 -0.932 168 1HB CYS 27 HB2 CYS 27 -7.720 -1.348 -1.376 169 2HB CYS 27 HB1 CYS 27 -7.970 -0.294 -2.758 170 H GLY 28 H GLY 28 -9.806 -0.379 1.145 171 1HA GLY 28 HA2 GLY 28 -11.038 2.298 1.355 172 2HA GLY 28 HA1 GLY 28 -10.859 1.141 2.670 173 H GLU 29 H GLU 29 -7.986 0.774 1.607 174 HA GLU 29 HA GLU 29 -6.668 3.304 2.096 175 1HB GLU 29 HB2 GLU 29 -5.681 2.730 4.259 176 2HB GLU 29 HB1 GLU 29 -7.435 2.733 4.392 177 1HG GLU 29 HG2 GLU 29 -7.536 0.496 4.777 178 2HG GLU 29 HG1 GLU 29 -6.273 0.140 3.599 179 H GLY 30 H GLY 30 -4.255 2.987 2.077 180 1HA GLY 30 HA2 GLY 30 -2.836 0.639 1.828 181 2HA GLY 30 HA1 GLY 30 -3.563 0.827 0.236 182 H LEU 31 H LEU 31 -0.752 0.907 0.705 183 HA LEU 31 HA LEU 31 0.188 3.641 0.838 184 1HB LEU 31 HB2 LEU 31 1.394 0.985 0.140 185 2HB LEU 31 HB1 LEU 31 2.263 2.454 -0.304 186 HG LEU 31 HG LEU 31 2.864 1.518 1.970 187 1HD1 LEU 31 1HD1 LEU 31 2.337 3.861 3.102 188 2HD1 LEU 31 2HD1 LEU 31 1.849 4.288 1.463 189 3HD1 LEU 31 3HD1 LEU 31 3.495 3.739 1.777 190 1HD2 LEU 31 1HD2 LEU 31 0.693 0.755 2.711 191 2HD2 LEU 31 2HD2 LEU 31 0.003 2.366 2.511 192 3HD2 LEU 31 3HD2 LEU 31 1.187 2.065 3.782 193 H CYS 32 H CYS 32 -1.267 1.754 -1.627 194 HA CYS 32 HA CYS 32 -0.577 3.881 -3.596 195 1HB CYS 32 HB2 CYS 32 -0.496 0.889 -4.066 196 2HB CYS 32 HB1 CYS 32 -0.426 2.094 -5.355 197 H CYS 33 H CYS 33 -2.897 4.004 -2.223 198 HA CYS 33 HA CYS 33 -4.946 2.907 -4.108 199 1HB CYS 33 HB2 CYS 33 -4.961 3.410 -1.148 200 2HB CYS 33 HB1 CYS 33 -6.477 3.541 -2.034 201 H GLU 34 H GLU 34 -5.519 4.507 -5.518 202 HA GLU 34 HA GLU 34 -5.490 7.322 -4.556 203 1HB GLU 34 HB2 GLU 34 -5.755 7.785 -7.077 204 2HB GLU 34 HB1 GLU 34 -4.208 7.121 -6.547 205 1HG GLU 34 HG2 GLU 34 -4.606 5.062 -7.504 206 2HG GLU 34 HG1 GLU 34 -6.352 5.179 -7.284 207 H GLN 35 H GLN 35 -7.404 8.286 -4.134 208 HA GLN 35 HA GLN 35 -9.711 8.672 -4.093 209 1HB GLN 35 HB2 GLN 35 -9.114 7.733 -6.827 210 2HB GLN 35 HB1 GLN 35 -10.796 7.535 -6.334 211 1HG GLN 35 HG2 GLN 35 -10.666 9.973 -5.520 212 2HG GLN 35 HG1 GLN 35 -9.176 10.080 -6.459 213 1HE2 GLN 35 1HE2 GLN 35 -12.589 10.307 -6.673 214 2HE2 GLN 35 2HE2 GLN 35 -12.716 10.290 -8.365 215 H CYS 36 H CYS 36 -8.683 6.333 -2.781 216 HA CYS 36 HA CYS 36 -9.514 4.398 -1.753 217 1HB CYS 36 HB2 CYS 36 -12.165 5.108 -3.028 218 2HB CYS 36 HB1 CYS 36 -11.892 4.180 -1.553 219 H LYS 37 H LYS 37 -8.470 4.394 -4.536 220 HA LYS 37 HA LYS 37 -9.710 1.817 -5.399 221 1HB LYS 37 HB2 LYS 37 -9.755 4.318 -6.821 222 2HB LYS 37 HB1 LYS 37 -8.756 3.169 -7.712 223 1HG LYS 37 HG2 LYS 37 -10.544 1.543 -7.754 224 2HG LYS 37 HG1 LYS 37 -11.528 2.530 -6.671 225 1HD LYS 37 HD2 LYS 37 -11.269 4.367 -8.509 226 2HD LYS 37 HD1 LYS 37 -10.836 3.018 -9.560 227 1HE LYS 37 HE2 LYS 37 -13.360 3.087 -7.884 228 2HE LYS 37 HE1 LYS 37 -13.296 3.600 -9.571 229 1HZ LYS 37 HZ1 LYS 37 -12.928 0.909 -8.435 230 2HZ LYS 37 HZ2 LYS 37 -12.212 1.303 -9.925 231 3HZ LYS 37 HZ3 LYS 37 -13.898 1.399 -9.737 232 H PHE 38 H PHE 38 -8.180 0.615 -6.917 233 HA PHE 38 HA PHE 38 -5.528 0.558 -5.740 234 1HB PHE 38 HB2 PHE 38 -6.709 -0.857 -8.147 235 2HB PHE 38 HB1 PHE 38 -5.079 -1.148 -7.548 236 HD1 PHE 38 HD2 PHE 38 -5.684 -0.853 -4.566 237 HD2 PHE 38 HD1 PHE 38 -7.682 -2.992 -7.711 238 HE1 PHE 38 HE2 PHE 38 -6.578 -2.462 -2.905 239 HE2 PHE 38 HE1 PHE 38 -8.574 -4.601 -6.050 240 HZ PHE 38 HZ PHE 38 -8.022 -4.337 -3.647 241 H SER 39 H SER 39 -3.786 1.735 -6.387 242 HA SER 39 HA SER 39 -3.995 3.625 -8.564 243 1HB SER 39 HB2 SER 39 -1.654 2.692 -6.883 244 2HB SER 39 HB1 SER 39 -1.520 3.957 -8.101 245 HG SER 39 HG SER 39 -2.154 4.359 -5.681 246 H ARG 40 H ARG 40 -1.711 3.509 -10.032 247 HA ARG 40 HA ARG 40 -2.029 0.921 -11.480 248 1HB ARG 40 HB2 ARG 40 -0.876 2.176 -13.356 249 2HB ARG 40 HB1 ARG 40 -2.452 2.824 -12.897 250 1HG ARG 40 HG2 ARG 40 -0.325 3.985 -11.288 251 2HG ARG 40 HG1 ARG 40 -0.042 4.245 -13.011 252 1HD ARG 40 HD2 ARG 40 -2.757 4.734 -12.745 253 2HD ARG 40 HD1 ARG 40 -2.083 5.413 -11.263 254 HE ARG 40 HE ARG 40 -1.644 6.427 -13.972 255 1HH1 ARG 40 1HH1 ARG 40 -1.939 7.890 -11.252 256 2HH1 ARG 40 2HH1 ARG 40 -0.358 8.580 -11.103 257 1HH2 ARG 40 1HH2 ARG 40 1.035 6.580 -13.572 258 2HH2 ARG 40 2HH2 ARG 40 1.328 7.836 -12.415 259 H ALA 41 H ALA 41 -0.159 -0.287 -12.068 260 HA ALA 41 HA ALA 41 1.901 -0.563 -10.226 261 1HB ALA 41 HB1 ALA 41 3.016 -1.013 -12.836 262 2HB ALA 41 HB2 ALA 41 1.340 -1.562 -12.831 263 3HB ALA 41 HB3 ALA 41 2.484 -2.207 -11.653 264 H GLY 42 H GLY 42 4.307 -0.031 -10.637 265 1HA GLY 42 HA2 GLY 42 5.979 1.596 -10.992 266 2HA GLY 42 HA1 GLY 42 4.920 2.327 -12.198 267 H LYS 43 H LYS 43 3.581 1.745 -9.061 268 HA LYS 43 HA LYS 43 3.405 4.680 -8.651 269 1HB LYS 43 HB2 LYS 43 1.308 3.551 -8.416 270 2HB LYS 43 HB1 LYS 43 2.012 2.324 -7.360 271 1HG LYS 43 HG2 LYS 43 0.685 4.126 -6.164 272 2HG LYS 43 HG1 LYS 43 2.340 3.919 -5.591 273 1HD LYS 43 HD2 LYS 43 3.001 5.962 -6.357 274 2HD LYS 43 HD1 LYS 43 2.013 5.844 -7.815 275 1HE LYS 43 HE2 LYS 43 0.127 5.983 -5.787 276 2HE LYS 43 HE1 LYS 43 1.387 7.090 -5.240 277 1HZ LYS 43 HZ1 LYS 43 1.222 8.344 -7.189 278 2HZ LYS 43 HZ2 LYS 43 -0.388 8.032 -6.751 279 3HZ LYS 43 HZ3 LYS 43 0.341 7.148 -8.006 280 H ILE 44 H ILE 44 5.059 5.563 -7.532 281 HA ILE 44 HA ILE 44 6.922 4.203 -5.903 282 HB ILE 44 HB ILE 44 7.472 6.400 -6.654 283 1HG1 ILE 44 2HG1 ILE 44 7.868 7.639 -4.492 284 2HG1 ILE 44 1HG1 ILE 44 6.892 6.419 -3.675 285 1HG2 ILE 44 1HG2 ILE 44 5.436 7.485 -7.040 286 2HG2 ILE 44 2HG2 ILE 44 6.049 8.352 -5.633 287 3HG2 ILE 44 3HG2 ILE 44 4.817 7.107 -5.432 288 1HD1 ILE 44 1HD1 ILE 44 8.443 4.662 -4.542 289 2HD1 ILE 44 2HD1 ILE 44 9.246 5.817 -3.478 290 3HD1 ILE 44 3HD1 ILE 44 9.454 5.936 -5.225 291 H CYS 45 H CYS 45 6.539 3.133 -4.029 292 HA CYS 45 HA CYS 45 4.370 4.163 -2.246 293 1HB CYS 45 HB2 CYS 45 4.373 1.840 -1.282 294 2HB CYS 45 HB1 CYS 45 3.896 1.898 -2.977 295 H ARG 46 H ARG 46 7.749 3.644 -2.554 296 HA ARG 46 HA ARG 46 8.209 4.779 0.106 297 1HB ARG 46 HB2 ARG 46 8.098 2.020 -0.023 298 2HB ARG 46 HB1 ARG 46 9.821 2.342 -0.226 299 1HG ARG 46 HG2 ARG 46 9.983 3.459 1.844 300 2HG ARG 46 HG1 ARG 46 8.242 3.716 1.944 301 1HD ARG 46 HD2 ARG 46 8.231 1.040 1.881 302 2HD ARG 46 HD1 ARG 46 9.836 1.274 2.574 303 HE ARG 46 HE ARG 46 7.469 2.603 3.815 304 1HH1 ARG 46 1HH1 ARG 46 10.650 1.645 4.234 305 2HH1 ARG 46 2HH1 ARG 46 10.420 0.941 5.800 306 1HH2 ARG 46 1HH2 ARG 46 6.964 1.192 5.702 307 2HH2 ARG 46 2HH2 ARG 46 8.335 0.682 6.630 308 H ILE 47 H ILE 47 10.320 5.686 0.251 309 HA ILE 47 HA ILE 47 11.828 5.615 -2.327 310 HB ILE 47 HB ILE 47 10.723 7.800 -1.587 311 1HG1 ILE 47 2HG1 ILE 47 13.710 8.109 -1.766 312 2HG1 ILE 47 1HG1 ILE 47 12.817 7.428 -3.126 313 1HG2 ILE 47 1HG2 ILE 47 11.640 9.010 0.224 314 2HG2 ILE 47 2HG2 ILE 47 13.065 7.974 0.309 315 3HG2 ILE 47 3HG2 ILE 47 11.499 7.365 0.846 316 1HD1 ILE 47 1HD1 ILE 47 11.331 9.420 -3.115 317 2HD1 ILE 47 2HD1 ILE 47 13.016 9.853 -3.401 318 3HD1 ILE 47 3HD1 ILE 47 12.296 10.109 -1.811 319 HA PRO 48 HA PRO 48 15.104 3.946 0.190 320 1HB PRO 48 HB2 PRO 48 16.933 3.756 -1.852 321 2HB PRO 48 HB1 PRO 48 15.614 2.596 -1.614 322 1HG PRO 48 HG2 PRO 48 15.879 4.733 -3.671 323 2HG PRO 48 HG1 PRO 48 14.951 3.229 -3.731 324 1HD PRO 48 HD2 PRO 48 13.906 5.819 -3.227 325 2HD PRO 48 HD1 PRO 48 13.045 4.280 -3.016 326 H ARG 49 H ARG 49 16.898 4.889 1.239 327 HA ARG 49 HA ARG 49 17.376 7.729 0.693 328 1HB ARG 49 HB2 ARG 49 17.260 6.858 3.017 329 2HB ARG 49 HB1 ARG 49 18.704 5.891 2.708 330 1HG ARG 49 HG2 ARG 49 19.747 7.744 3.571 331 2HG ARG 49 HG1 ARG 49 19.615 8.295 1.901 332 1HD ARG 49 HD2 ARG 49 17.676 9.598 2.375 333 2HD ARG 49 HD1 ARG 49 17.447 8.819 3.941 334 HE ARG 49 HE ARG 49 19.051 10.298 4.849 335 1HH1 ARG 49 1HH1 ARG 49 18.304 11.307 1.777 336 2HH1 ARG 49 2HH1 ARG 49 19.793 12.140 1.477 337 1HH2 ARG 49 1HH2 ARG 49 21.359 10.914 4.319 338 2HH2 ARG 49 2HH2 ARG 49 21.522 11.917 2.916 339 H GLY 50 H GLY 50 18.445 7.772 -1.328 340 1HA GLY 50 HA2 GLY 50 21.023 8.051 -1.739 341 2HA GLY 50 HA1 GLY 50 21.030 6.303 -1.507 342 H GLU 51 H GLU 51 21.868 6.305 -3.784 343 HA GLU 51 HA GLU 51 19.993 7.078 -5.902 344 1HB GLU 51 HB2 GLU 51 22.631 5.580 -5.978 345 2HB GLU 51 HB1 GLU 51 21.713 6.052 -7.407 346 1HG GLU 51 HG2 GLU 51 21.790 8.439 -6.219 347 2HG GLU 51 HG1 GLU 51 23.244 7.755 -5.490 348 H MET 52 H MET 52 19.935 4.600 -3.778 349 HA MET 52 HA MET 52 19.701 2.204 -5.191 350 1HB MET 52 HB2 MET 52 18.733 3.255 -2.664 351 2HB MET 52 HB1 MET 52 17.547 2.171 -3.391 352 1HG MET 52 HG2 MET 52 18.795 0.385 -2.838 353 2HG MET 52 HG1 MET 52 20.170 1.045 -3.723 354 1HE MET 52 HE1 MET 52 18.025 1.732 -0.561 355 2HE MET 52 HE2 MET 52 19.174 1.369 0.724 356 3HE MET 52 HE3 MET 52 18.692 0.101 -0.400 357 HA PRO 53 HA PRO 53 16.150 2.522 -7.748 358 1HB PRO 53 HB2 PRO 53 15.046 0.018 -7.464 359 2HB PRO 53 HB1 PRO 53 16.519 0.341 -8.393 360 1HG PRO 53 HG2 PRO 53 16.234 -0.923 -5.706 361 2HG PRO 53 HG1 PRO 53 17.507 -1.139 -6.918 362 1HD PRO 53 HD2 PRO 53 17.702 0.450 -4.587 363 2HD PRO 53 HD1 PRO 53 18.812 0.494 -5.975 364 H ASP 54 H ASP 54 14.105 3.374 -7.502 365 HA ASP 54 HA ASP 54 12.925 3.548 -4.860 366 1HB ASP 54 HB2 ASP 54 11.540 4.237 -7.456 367 2HB ASP 54 HB1 ASP 54 11.302 4.961 -5.865 368 H ASP 55 H ASP 55 10.799 2.745 -4.263 369 HA ASP 55 HA ASP 55 10.248 0.087 -5.455 370 1HB ASP 55 HB2 ASP 55 10.446 0.441 -2.946 371 2HB ASP 55 HB1 ASP 55 8.941 1.357 -3.035 372 H ARG 56 H ARG 56 8.272 -0.402 -6.462 373 HA ARG 56 HA ARG 56 6.280 1.809 -6.671 374 1HB ARG 56 HB2 ARG 56 7.294 0.176 -9.011 375 2HB ARG 56 HB1 ARG 56 6.067 1.443 -9.068 376 1HG ARG 56 HG2 ARG 56 8.535 2.336 -7.778 377 2HG ARG 56 HG1 ARG 56 8.789 1.821 -9.445 378 1HD ARG 56 HD2 ARG 56 7.030 3.322 -10.222 379 2HD ARG 56 HD1 ARG 56 6.647 3.776 -8.560 380 HE ARG 56 HE ARG 56 8.632 5.109 -8.504 381 1HH1 ARG 56 1HH2 ARG 56 7.628 5.058 -11.538 382 2HH1 ARG 56 2HH2 ARG 56 9.173 5.083 -12.320 383 1HH2 ARG 56 1HH1 ARG 56 10.944 4.351 -9.431 384 2HH2 ARG 56 2HH1 ARG 56 11.050 4.686 -11.126 385 H CYS 57 H CYS 57 4.212 1.108 -6.448 386 HA CYS 57 HA CYS 57 3.674 -1.642 -5.787 387 1HB CYS 57 HB2 CYS 57 1.851 0.680 -6.477 388 2HB CYS 57 HB1 CYS 57 1.250 -0.905 -5.991 389 H THR 58 H THR 58 2.176 -3.044 -7.032 390 HA THR 58 HA THR 58 2.889 -3.015 -9.885 391 HB THR 58 HB THR 58 1.951 -5.232 -9.948 392 HG1 THR 58 HG1 THR 58 0.652 -4.312 -7.650 393 1HG2 THR 58 1HG2 THR 58 4.027 -5.442 -8.912 394 2HG2 THR 58 2HG2 THR 58 2.965 -6.181 -7.712 395 3HG2 THR 58 3HG2 THR 58 3.523 -4.522 -7.494 396 H GLY 59 H GLY 59 0.787 -1.206 -8.366 397 1HA GLY 59 HA2 GLY 59 -1.060 -0.006 -9.254 398 2HA GLY 59 HA1 GLY 59 -1.055 -1.097 -10.641 399 H GLN 60 H GLN 60 -1.392 -3.558 -9.564 400 HA GLN 60 HA GLN 60 -4.166 -3.432 -8.622 401 1HB GLN 60 HB2 GLN 60 -2.560 -5.968 -8.828 402 2HB GLN 60 HB1 GLN 60 -4.281 -5.717 -9.121 403 1HG GLN 60 HG2 GLN 60 -3.586 -4.233 -11.085 404 2HG GLN 60 HG1 GLN 60 -1.960 -4.885 -10.871 405 1HE2 GLN 60 1HE2 GLN 60 -1.993 -6.103 -12.880 406 2HE2 GLN 60 2HE2 GLN 60 -2.992 -7.461 -13.088 407 H SER 61 H SER 61 -1.261 -3.163 -7.070 408 HA SER 61 HA SER 61 -2.213 -4.648 -4.659 409 1HB SER 61 HB2 SER 61 -0.022 -5.381 -5.156 410 2HB SER 61 HB1 SER 61 0.515 -3.761 -5.592 411 HG SER 61 HG SER 61 -0.446 -4.244 -3.001 412 H ALA 62 H ALA 62 -3.333 -3.313 -3.318 413 HA ALA 62 HA ALA 62 -3.081 -0.443 -3.356 414 1HB ALA 62 HB1 ALA 62 -4.299 -0.792 -1.027 415 2HB ALA 62 HB2 ALA 62 -4.467 -2.448 -1.610 416 3HB ALA 62 HB3 ALA 62 -5.151 -1.114 -2.537 417 H ASP 63 H ASP 63 -1.778 -2.977 -1.228 418 HA ASP 63 HA ASP 63 -0.356 -0.972 0.395 419 1HB ASP 63 HB2 ASP 63 -0.238 -4.004 0.459 420 2HB ASP 63 HB1 ASP 63 0.459 -2.919 1.663 421 H CYS 64 H CYS 64 2.096 -1.575 0.789 422 HA CYS 64 HA CYS 64 3.331 -2.153 -1.871 423 1HB CYS 64 HB2 CYS 64 3.588 0.198 -1.450 424 2HB CYS 64 HB1 CYS 64 4.132 -0.097 0.200 425 HA PRO 65 HA PRO 65 5.203 -5.260 0.698 426 1HB PRO 65 HB2 PRO 65 5.891 -6.807 -1.454 427 2HB PRO 65 HB1 PRO 65 4.289 -6.836 -0.713 428 1HG PRO 65 HG2 PRO 65 5.148 -5.699 -3.312 429 2HG PRO 65 HG1 PRO 65 3.526 -6.172 -2.778 430 1HD PRO 65 HD2 PRO 65 4.589 -3.523 -2.913 431 2HD PRO 65 HD1 PRO 65 3.024 -4.008 -2.232 432 H ARG 66 H ARG 66 6.901 -5.323 -2.401 433 HA ARG 66 HA ARG 66 9.177 -3.779 -1.363 434 1HB ARG 66 HB2 ARG 66 10.784 -5.612 -1.561 435 2HB ARG 66 HB1 ARG 66 9.521 -6.063 -0.415 436 1HG ARG 66 HG2 ARG 66 8.989 -6.759 -3.247 437 2HG ARG 66 HG1 ARG 66 10.296 -7.654 -2.472 438 1HD ARG 66 HD2 ARG 66 8.883 -8.573 -0.848 439 2HD ARG 66 HD1 ARG 66 7.668 -7.310 -1.051 440 HE ARG 66 HE ARG 66 8.092 -9.069 -3.381 441 1HH1 ARG 66 1HH2 ARG 66 6.954 -10.391 -0.790 442 2HH1 ARG 66 2HH2 ARG 66 5.261 -10.339 -1.154 443 1HH2 ARG 66 1HH1 ARG 66 5.621 -8.074 -3.755 444 2HH2 ARG 66 2HH1 ARG 66 4.506 -9.023 -2.829 445 H TYR 67 H TYR 67 10.988 -3.819 -3.110 446 HA TYR 67 HA TYR 67 9.748 -3.184 -5.651 447 1HB TYR 67 HB2 TYR 67 11.890 -2.470 -6.342 448 2HB TYR 67 HB1 TYR 67 11.895 -2.166 -4.607 449 HD1 TYR 67 HD2 TYR 67 12.979 -3.854 -3.059 450 HD2 TYR 67 HD1 TYR 67 13.406 -4.015 -7.330 451 HE1 TYR 67 HE2 TYR 67 14.947 -5.343 -2.807 452 HE2 TYR 67 HE1 TYR 67 15.374 -5.502 -7.078 453 HH TYR 67 HH TYR 67 16.329 -6.766 -3.924 454 H HIS 68 H HIS 68 11.202 -6.021 -4.270 455 HA HIS 68 HA HIS 68 11.732 -8.116 -5.215 456 1HB HIS 68 HB2 HIS 68 9.174 -7.908 -5.286 457 2HB HIS 68 HB1 HIS 68 9.362 -7.536 -6.999 458 HD1 HIS 68 HD1 HIS 68 9.388 -10.333 -4.585 459 HD2 HIS 68 HD2 HIS 68 10.564 -9.714 -8.536 460 HE1 HIS 68 HE1 HIS 68 9.750 -12.628 -5.593 Start of MODEL 9 1 1H GLY 1 HT1 GLY 1 -7.598 -12.728 6.492 2 2H GLY 1 HT2 GLY 1 -7.967 -11.095 6.206 3 3H GLY 1 HT3 GLY 1 -6.564 -11.782 5.536 4 1HA GLY 1 HA1 GLY 1 -7.642 -12.583 3.779 5 2HA GLY 1 HA2 GLY 1 -8.937 -13.209 4.800 6 H LYS 2 H LYS 2 -10.701 -12.408 3.649 7 HA LYS 2 HA LYS 2 -10.760 -9.538 2.930 8 1HB LYS 2 HB2 LYS 2 -11.632 -11.455 1.439 9 2HB LYS 2 HB1 LYS 2 -13.002 -11.525 2.548 10 1HG LYS 2 HG2 LYS 2 -13.934 -9.877 1.324 11 2HG LYS 2 HG1 LYS 2 -12.709 -8.803 2.002 12 1HD LYS 2 HD2 LYS 2 -11.717 -10.442 -0.224 13 2HD LYS 2 HD1 LYS 2 -13.022 -9.348 -0.685 14 1HE LYS 2 HE2 LYS 2 -11.821 -7.434 0.014 15 2HE LYS 2 HE1 LYS 2 -10.685 -8.391 0.966 16 1HZ LYS 2 HZ1 LYS 2 -9.392 -8.652 -0.798 17 2HZ LYS 2 HZ2 LYS 2 -10.376 -7.554 -1.642 18 3HZ LYS 2 HZ3 LYS 2 -10.678 -9.224 -1.744 19 H GLU 3 H GLU 3 -11.543 -8.087 4.385 20 HA GLU 3 HA GLU 3 -13.998 -8.508 5.812 21 1HB GLU 3 HB2 GLU 3 -12.428 -9.997 7.116 22 2HB GLU 3 HB1 GLU 3 -11.524 -8.545 7.550 23 1HG GLU 3 HG2 GLU 3 -14.474 -8.498 7.986 24 2HG GLU 3 HG1 GLU 3 -13.508 -9.479 9.089 25 H CYS 4 H CYS 4 -10.915 -6.784 5.758 26 HA CYS 4 HA CYS 4 -12.464 -4.268 6.185 27 1HB CYS 4 HB2 CYS 4 -11.215 -4.778 8.236 28 2HB CYS 4 HB1 CYS 4 -9.724 -4.925 7.306 29 H ASP 5 H ASP 5 -12.010 -2.655 4.731 30 HA ASP 5 HA ASP 5 -9.818 -3.198 2.773 31 1HB ASP 5 HB2 ASP 5 -12.536 -2.759 2.327 32 2HB ASP 5 HB1 ASP 5 -11.790 -1.203 1.957 33 H CYS 6 H CYS 6 -11.106 -0.907 5.067 34 HA CYS 6 HA CYS 6 -8.918 0.992 4.302 35 1HB CYS 6 HB2 CYS 6 -10.289 2.828 4.997 36 2HB CYS 6 HB1 CYS 6 -11.299 1.823 3.959 37 H SER 7 H SER 7 -7.502 1.542 5.929 38 HA SER 7 HA SER 7 -7.730 0.079 8.463 39 1HB SER 7 HB2 SER 7 -5.526 1.477 8.871 40 2HB SER 7 HB1 SER 7 -5.515 0.112 7.758 41 HG SER 7 HG SER 7 -4.835 1.564 6.392 42 H SER 8 H SER 8 -8.309 3.312 7.288 43 HA SER 8 HA SER 8 -8.372 4.450 10.003 44 1HB SER 8 HB2 SER 8 -7.942 5.511 7.465 45 2HB SER 8 HB1 SER 8 -9.552 6.085 7.891 46 HG SER 8 HG SER 8 -7.452 7.223 8.636 47 HA PRO 9 HA PRO 9 -12.684 3.310 10.302 48 1HB PRO 9 HB2 PRO 9 -12.994 4.200 12.885 49 2HB PRO 9 HB1 PRO 9 -12.241 2.650 12.468 50 1HG PRO 9 HG2 PRO 9 -10.951 5.169 13.403 51 2HG PRO 9 HG1 PRO 9 -10.395 3.496 13.569 52 1HD PRO 9 HD2 PRO 9 -9.449 5.384 11.678 53 2HD PRO 9 HD1 PRO 9 -9.140 3.634 11.655 54 H GLU 10 H GLU 10 -11.268 6.434 10.475 55 HA GLU 10 HA GLU 10 -13.921 7.772 10.661 56 1HB GLU 10 HB2 GLU 10 -11.887 8.561 12.013 57 2HB GLU 10 HB1 GLU 10 -11.220 9.121 10.480 58 1HG GLU 10 HG2 GLU 10 -12.346 11.020 11.307 59 2HG GLU 10 HG1 GLU 10 -13.500 10.322 10.171 60 H ASN 11 H ASN 11 -12.646 6.232 8.305 61 HA ASN 11 HA ASN 11 -12.478 8.394 6.294 62 1HB ASN 11 HB2 ASN 11 -10.965 6.256 6.455 63 2HB ASN 11 HB1 ASN 11 -12.321 5.464 5.654 64 1HD2 ASN 11 1HD2 ASN 11 -9.447 6.972 4.972 65 2HD2 ASN 11 2HD2 ASN 11 -9.792 7.559 3.416 66 HA PRO 12 HA PRO 12 -16.778 7.664 5.375 67 1HB PRO 12 HB2 PRO 12 -16.949 9.566 3.398 68 2HB PRO 12 HB1 PRO 12 -16.989 9.946 5.128 69 1HG PRO 12 HG2 PRO 12 -14.776 10.350 3.170 70 2HG PRO 12 HG1 PRO 12 -15.120 11.225 4.673 71 1HD PRO 12 HD2 PRO 12 -13.151 9.215 4.332 72 2HD PRO 12 HD1 PRO 12 -13.722 9.871 5.881 73 H CYS 13 H CYS 13 -14.082 7.306 3.242 74 HA CYS 13 HA CYS 13 -15.545 6.463 0.890 75 1HB CYS 13 HB2 CYS 13 -13.041 7.244 1.167 76 2HB CYS 13 HB1 CYS 13 -12.750 5.534 1.496 77 H CYS 14 H CYS 14 -14.774 4.967 3.893 78 HA CYS 14 HA CYS 14 -15.652 2.359 2.742 79 1HB CYS 14 HB2 CYS 14 -14.103 1.167 4.103 80 2HB CYS 14 HB1 CYS 14 -13.182 2.476 3.365 81 H ASP 15 H ASP 15 -16.128 0.865 4.848 82 HA ASP 15 HA ASP 15 -17.991 2.470 6.548 83 1HB ASP 15 HB2 ASP 15 -18.907 0.785 4.757 84 2HB ASP 15 HB1 ASP 15 -18.416 -0.440 5.924 85 H ALA 16 H ALA 16 -17.163 2.535 8.579 86 HA ALA 16 HA ALA 16 -15.172 0.728 9.566 87 1HB ALA 16 HB1 ALA 16 -15.661 3.073 10.417 88 2HB ALA 16 HB2 ALA 16 -15.432 1.854 11.671 89 3HB ALA 16 HB3 ALA 16 -17.058 2.393 11.251 90 H ALA 17 H ALA 17 -18.664 0.595 9.518 91 HA ALA 17 HA ALA 17 -19.225 -1.150 11.639 92 1HB ALA 17 HB1 ALA 17 -20.392 -1.426 8.854 93 2HB ALA 17 HB2 ALA 17 -20.897 -0.183 9.998 94 3HB ALA 17 HB3 ALA 17 -21.149 -1.886 10.379 95 H THR 18 H THR 18 -18.257 -2.047 8.315 96 HA THR 18 HA THR 18 -17.414 -4.703 9.399 97 HB THR 18 HB THR 18 -18.924 -5.212 7.689 98 HG1 THR 18 HG1 THR 18 -17.398 -6.330 6.789 99 1HG2 THR 18 1HG2 THR 18 -19.401 -2.950 6.967 100 2HG2 THR 18 2HG2 THR 18 -18.997 -3.910 5.545 101 3HG2 THR 18 3HG2 THR 18 -17.806 -2.805 6.229 102 H CYS 19 H CYS 19 -16.237 -1.722 8.428 103 HA CYS 19 HA CYS 19 -14.008 -1.010 8.156 104 1HB CYS 19 HB2 CYS 19 -13.660 -3.246 9.574 105 2HB CYS 19 HB1 CYS 19 -12.998 -3.822 8.044 106 H LYS 20 H LYS 20 -15.903 -2.273 5.996 107 HA LYS 20 HA LYS 20 -13.786 -2.686 3.923 108 1HB LYS 20 HB2 LYS 20 -16.724 -3.429 3.796 109 2HB LYS 20 HB1 LYS 20 -15.486 -3.833 2.604 110 1HG LYS 20 HG2 LYS 20 -14.303 -5.208 4.210 111 2HG LYS 20 HG1 LYS 20 -15.384 -4.696 5.506 112 1HD LYS 20 HD2 LYS 20 -15.989 -6.940 4.630 113 2HD LYS 20 HD1 LYS 20 -17.282 -5.765 4.380 114 1HE LYS 20 HE2 LYS 20 -16.963 -5.693 2.094 115 2HE LYS 20 HE1 LYS 20 -15.245 -6.074 2.216 116 1HZ LYS 20 HZ1 LYS 20 -16.672 -7.890 1.309 117 2HZ LYS 20 HZ2 LYS 20 -17.394 -8.019 2.842 118 3HZ LYS 20 HZ3 LYS 20 -15.735 -8.332 2.652 119 H LEU 21 H LEU 21 -14.740 -1.976 1.639 120 HA LEU 21 HA LEU 21 -15.157 0.893 1.845 121 1HB LEU 21 HB2 LEU 21 -14.768 -1.067 -0.376 122 2HB LEU 21 HB1 LEU 21 -15.464 0.509 -0.762 123 HG LEU 21 HG LEU 21 -13.258 0.903 1.027 124 1HD1 LEU 21 1HD1 LEU 21 -11.572 -0.388 0.238 125 2HD1 LEU 21 2HD1 LEU 21 -12.091 -0.184 -1.434 126 3HD1 LEU 21 3HD1 LEU 21 -12.848 -1.413 -0.421 127 1HD2 LEU 21 1HD2 LEU 21 -12.675 1.651 -1.682 128 2HD2 LEU 21 2HD2 LEU 21 -13.148 2.690 -0.337 129 3HD2 LEU 21 3HD2 LEU 21 -14.381 1.959 -1.365 130 H ARG 22 H ARG 22 -17.072 2.008 1.606 131 HA ARG 22 HA ARG 22 -19.547 0.431 1.646 132 1HB ARG 22 HB2 ARG 22 -18.785 2.842 2.767 133 2HB ARG 22 HB1 ARG 22 -19.834 3.340 1.439 134 1HG ARG 22 HG2 ARG 22 -21.090 1.112 2.656 135 2HG ARG 22 HG1 ARG 22 -20.571 2.174 3.966 136 1HD ARG 22 HD2 ARG 22 -21.564 4.070 2.437 137 2HD ARG 22 HD1 ARG 22 -22.467 2.742 1.708 138 HE ARG 22 HE ARG 22 -22.661 2.685 4.595 139 1HH1 ARG 22 1HH1 ARG 22 -23.324 5.356 2.827 140 2HH1 ARG 22 2HH1 ARG 22 -25.047 5.314 3.006 141 1HH2 ARG 22 1HH2 ARG 22 -25.092 2.121 4.359 142 2HH2 ARG 22 2HH2 ARG 22 -26.048 3.483 3.875 143 HA PRO 23 HA PRO 23 -20.240 2.822 -2.425 144 1HB PRO 23 HB2 PRO 23 -18.171 4.366 -3.370 145 2HB PRO 23 HB1 PRO 23 -19.418 4.970 -2.264 146 1HG PRO 23 HG2 PRO 23 -16.575 4.309 -1.695 147 2HG PRO 23 HG1 PRO 23 -17.666 5.405 -0.833 148 1HD PRO 23 HD2 PRO 23 -16.943 2.768 -0.045 149 2HD PRO 23 HD1 PRO 23 -18.201 3.784 0.689 150 H GLY 24 H GLY 24 -18.711 3.064 -4.741 151 1HA GLY 24 HA2 GLY 24 -17.808 0.282 -5.114 152 2HA GLY 24 HA1 GLY 24 -18.046 1.473 -6.394 153 H ALA 25 H ALA 25 -16.268 2.534 -3.641 154 HA ALA 25 HA ALA 25 -13.905 3.030 -5.235 155 1HB ALA 25 HB1 ALA 25 -14.043 4.592 -3.547 156 2HB ALA 25 HB2 ALA 25 -13.008 3.420 -2.732 157 3HB ALA 25 HB3 ALA 25 -14.739 3.449 -2.401 158 H GLN 26 H GLN 26 -12.190 1.658 -5.570 159 HA GLN 26 HA GLN 26 -12.276 -1.041 -4.534 160 1HB GLN 26 HB2 GLN 26 -10.990 0.258 -6.640 161 2HB GLN 26 HB1 GLN 26 -9.673 -0.204 -5.560 162 1HG GLN 26 HG2 GLN 26 -9.834 -2.327 -6.276 163 2HG GLN 26 HG1 GLN 26 -11.494 -2.395 -5.684 164 1HE2 GLN 26 1HE2 GLN 26 -10.976 -3.829 -7.993 165 2HE2 GLN 26 2HE2 GLN 26 -11.638 -3.043 -9.344 166 H CYS 27 H CYS 27 -10.993 1.914 -3.329 167 HA CYS 27 HA CYS 27 -9.939 0.518 -0.972 168 1HB CYS 27 HB2 CYS 27 -7.745 1.925 -1.246 169 2HB CYS 27 HB1 CYS 27 -7.894 0.393 -2.106 170 H GLY 28 H GLY 28 -10.859 1.703 0.626 171 1HA GLY 28 HA2 GLY 28 -11.675 4.455 0.225 172 2HA GLY 28 HA1 GLY 28 -11.749 3.580 1.754 173 H GLU 29 H GLU 29 -8.773 2.916 1.234 174 HA GLU 29 HA GLU 29 -7.387 5.457 1.403 175 1HB GLU 29 HB2 GLU 29 -8.567 5.219 3.659 176 2HB GLU 29 HB1 GLU 29 -7.494 3.856 3.966 177 1HG GLU 29 HG2 GLU 29 -5.554 5.419 3.433 178 2HG GLU 29 HG1 GLU 29 -6.722 6.740 3.480 179 H GLY 30 H GLY 30 -5.044 5.115 1.656 180 1HA GLY 30 HA2 GLY 30 -3.646 2.802 2.166 181 2HA GLY 30 HA1 GLY 30 -4.220 2.551 0.516 182 H LEU 31 H LEU 31 -1.515 2.671 0.853 183 HA LEU 31 HA LEU 31 -0.541 5.411 0.496 184 1HB LEU 31 HB2 LEU 31 0.737 2.680 0.421 185 2HB LEU 31 HB1 LEU 31 1.626 4.111 -0.094 186 HG LEU 31 HG LEU 31 2.026 3.603 2.298 187 1HD1 LEU 31 1HD1 LEU 31 0.590 5.983 2.870 188 2HD1 LEU 31 2HD1 LEU 31 1.096 6.088 1.183 189 3HD1 LEU 31 3HD1 LEU 31 2.296 5.831 2.450 190 1HD2 LEU 31 1HD2 LEU 31 -0.486 2.742 2.436 191 2HD2 LEU 31 2HD2 LEU 31 -0.790 4.409 2.923 192 3HD2 LEU 31 3HD2 LEU 31 0.319 3.406 3.857 193 H CYS 32 H CYS 32 -1.698 2.841 -1.519 194 HA CYS 32 HA CYS 32 -0.848 4.415 -3.918 195 1HB CYS 32 HB2 CYS 32 -0.850 1.451 -3.422 196 2HB CYS 32 HB1 CYS 32 -1.060 2.063 -5.062 197 H CYS 33 H CYS 33 -3.192 5.141 -2.821 198 HA CYS 33 HA CYS 33 -5.190 3.909 -4.661 199 1HB CYS 33 HB2 CYS 33 -5.598 3.054 -2.384 200 2HB CYS 33 HB1 CYS 33 -5.674 4.705 -1.773 201 H GLU 34 H GLU 34 -5.553 5.539 -6.093 202 HA GLU 34 HA GLU 34 -5.769 8.324 -5.050 203 1HB GLU 34 HB2 GLU 34 -5.539 7.450 -7.943 204 2HB GLU 34 HB1 GLU 34 -5.311 9.073 -7.290 205 1HG GLU 34 HG2 GLU 34 -3.278 8.477 -6.219 206 2HG GLU 34 HG1 GLU 34 -3.593 6.752 -6.405 207 H GLN 35 H GLN 35 -7.739 9.357 -5.186 208 HA GLN 35 HA GLN 35 -10.039 9.606 -5.563 209 1HB GLN 35 HB2 GLN 35 -8.932 8.533 -8.015 210 2HB GLN 35 HB1 GLN 35 -10.555 7.897 -7.748 211 1HG GLN 35 HG2 GLN 35 -11.289 9.854 -8.617 212 2HG GLN 35 HG1 GLN 35 -10.833 10.562 -7.067 213 1HE2 GLN 35 1HE2 GLN 35 -9.001 9.498 -10.010 214 2HE2 GLN 35 2HE2 GLN 35 -8.093 10.928 -10.130 215 H CYS 36 H CYS 36 -8.852 7.352 -3.985 216 HA CYS 36 HA CYS 36 -9.677 5.528 -2.768 217 1HB CYS 36 HB2 CYS 36 -12.105 6.855 -3.833 218 2HB CYS 36 HB1 CYS 36 -12.302 5.179 -3.326 219 H LYS 37 H LYS 37 -8.717 5.317 -5.622 220 HA LYS 37 HA LYS 37 -10.013 2.691 -6.246 221 1HB LYS 37 HB2 LYS 37 -9.585 5.043 -7.926 222 2HB LYS 37 HB1 LYS 37 -8.864 3.590 -8.621 223 1HG LYS 37 HG2 LYS 37 -10.909 2.483 -8.774 224 2HG LYS 37 HG1 LYS 37 -11.643 3.453 -7.497 225 1HD LYS 37 HD2 LYS 37 -10.767 4.768 -10.055 226 2HD LYS 37 HD1 LYS 37 -12.310 3.915 -9.989 227 1HE LYS 37 HE2 LYS 37 -13.138 5.336 -8.263 228 2HE LYS 37 HE1 LYS 37 -11.536 5.999 -7.941 229 1HZ LYS 37 HZ1 LYS 37 -12.970 6.324 -10.518 230 2HZ LYS 37 HZ2 LYS 37 -11.535 7.097 -10.035 231 3HZ LYS 37 HZ3 LYS 37 -13.006 7.472 -9.270 232 H PHE 38 H PHE 38 -8.519 1.158 -7.359 233 HA PHE 38 HA PHE 38 -5.979 1.014 -6.008 234 1HB PHE 38 HB2 PHE 38 -7.223 -0.523 -8.287 235 2HB PHE 38 HB1 PHE 38 -5.570 -0.840 -7.769 236 HD1 PHE 38 HD1 PHE 38 -7.362 0.305 -4.969 237 HD2 PHE 38 HD2 PHE 38 -6.861 -3.170 -7.440 238 HE1 PHE 38 HE1 PHE 38 -8.205 -1.124 -3.129 239 HE2 PHE 38 HE2 PHE 38 -7.706 -4.599 -5.599 240 HZ PHE 38 HZ PHE 38 -8.379 -3.575 -3.443 241 H SER 39 H SER 39 -4.063 1.928 -6.598 242 HA SER 39 HA SER 39 -3.869 3.626 -8.924 243 1HB SER 39 HB2 SER 39 -1.580 2.475 -7.302 244 2HB SER 39 HB1 SER 39 -1.556 3.938 -8.283 245 HG SER 39 HG SER 39 -3.467 4.455 -6.763 246 H ARG 40 H ARG 40 -1.285 2.864 -9.938 247 HA ARG 40 HA ARG 40 -1.981 0.252 -11.227 248 1HB ARG 40 HB2 ARG 40 -1.770 2.726 -12.478 249 2HB ARG 40 HB1 ARG 40 -0.198 1.986 -12.777 250 1HG ARG 40 HG2 ARG 40 -1.124 0.166 -13.925 251 2HG ARG 40 HG1 ARG 40 -2.712 0.387 -13.189 252 1HD ARG 40 HD2 ARG 40 -2.985 2.505 -14.454 253 2HD ARG 40 HD1 ARG 40 -1.423 2.229 -15.225 254 HE ARG 40 HE ARG 40 -2.405 0.446 -16.501 255 1HH1 ARG 40 1HH1 ARG 40 -4.658 2.606 -16.275 256 2HH1 ARG 40 2HH1 ARG 40 -6.026 1.574 -16.033 257 1HH2 ARG 40 1HH2 ARG 40 -4.122 -1.227 -15.292 258 2HH2 ARG 40 2HH2 ARG 40 -5.725 -0.594 -15.476 259 H ALA 41 H ALA 41 -0.200 -1.166 -11.647 260 HA ALA 41 HA ALA 41 1.848 -1.276 -9.722 261 1HB ALA 41 HB1 ALA 41 2.202 -3.254 -10.743 262 2HB ALA 41 HB2 ALA 41 2.801 -2.426 -12.180 263 3HB ALA 41 HB3 ALA 41 1.080 -2.773 -12.015 264 H GLY 42 H GLY 42 4.288 -1.109 -10.274 265 1HA GLY 42 HA2 GLY 42 6.093 0.223 -11.014 266 2HA GLY 42 HA1 GLY 42 5.069 0.760 -12.344 267 H LYS 43 H LYS 43 4.031 0.976 -9.005 268 HA LYS 43 HA LYS 43 4.271 3.957 -9.244 269 1HB LYS 43 HB2 LYS 43 1.945 3.359 -9.236 270 2HB LYS 43 HB1 LYS 43 2.175 2.244 -7.888 271 1HG LYS 43 HG2 LYS 43 1.179 4.351 -7.100 272 2HG LYS 43 HG1 LYS 43 2.799 4.147 -6.432 273 1HD LYS 43 HD2 LYS 43 2.765 6.390 -7.181 274 2HD LYS 43 HD1 LYS 43 3.604 5.520 -8.467 275 1HE LYS 43 HE2 LYS 43 1.717 5.556 -9.886 276 2HE LYS 43 HE1 LYS 43 0.617 5.924 -8.556 277 1HZ LYS 43 HZ1 LYS 43 1.972 8.058 -8.338 278 2HZ LYS 43 HZ2 LYS 43 0.892 7.941 -9.645 279 3HZ LYS 43 HZ3 LYS 43 2.557 7.706 -9.891 280 H ILE 44 H ILE 44 5.866 4.688 -7.938 281 HA ILE 44 HA ILE 44 7.015 3.179 -5.812 282 HB ILE 44 HB ILE 44 8.300 4.960 -6.803 283 1HG1 ILE 44 2HG1 ILE 44 8.777 6.394 -4.757 284 2HG1 ILE 44 1HG1 ILE 44 7.425 5.581 -3.967 285 1HG2 ILE 44 1HG2 ILE 44 5.927 6.651 -6.006 286 2HG2 ILE 44 2HG2 ILE 44 6.638 6.453 -7.608 287 3HG2 ILE 44 3HG2 ILE 44 7.496 7.368 -6.369 288 1HD1 ILE 44 1HD1 ILE 44 9.245 3.687 -5.239 289 2HD1 ILE 44 2HD1 ILE 44 8.648 3.723 -3.580 290 3HD1 ILE 44 3HD1 ILE 44 10.059 4.681 -4.030 291 H CYS 45 H CYS 45 6.305 2.889 -3.741 292 HA CYS 45 HA CYS 45 4.030 4.602 -2.826 293 1HB CYS 45 HB2 CYS 45 3.734 2.638 -1.152 294 2HB CYS 45 HB1 CYS 45 3.230 2.401 -2.821 295 H ARG 46 H ARG 46 7.299 3.726 -2.206 296 HA ARG 46 HA ARG 46 7.347 5.586 0.071 297 1HB ARG 46 HB2 ARG 46 8.573 2.891 0.562 298 2HB ARG 46 HB1 ARG 46 8.003 4.087 1.728 299 1HG ARG 46 HG2 ARG 46 5.669 3.620 1.077 300 2HG ARG 46 HG1 ARG 46 6.233 2.423 -0.090 301 1HD ARG 46 HD2 ARG 46 6.732 2.308 2.900 302 2HD ARG 46 HD1 ARG 46 5.513 1.369 2.039 303 HE ARG 46 HE ARG 46 7.492 0.367 0.757 304 1HH1 ARG 46 1HH1 ARG 46 9.169 2.352 2.616 305 2HH1 ARG 46 2HH1 ARG 46 9.939 1.172 3.623 306 1HH2 ARG 46 1HH2 ARG 46 7.888 -1.427 2.604 307 2HH2 ARG 46 2HH2 ARG 46 9.217 -0.967 3.613 308 H ILE 47 H ILE 47 9.409 6.441 0.422 309 HA ILE 47 HA ILE 47 11.548 5.464 -1.418 310 HB ILE 47 HB ILE 47 10.411 7.499 -2.304 311 1HG1 ILE 47 2HG1 ILE 47 13.203 8.145 -1.332 312 2HG1 ILE 47 1HG1 ILE 47 12.881 7.000 -2.637 313 1HG2 ILE 47 1HG2 ILE 47 11.629 9.247 -0.268 314 2HG2 ILE 47 2HG2 ILE 47 10.282 8.273 0.321 315 3HG2 ILE 47 3HG2 ILE 47 10.053 9.357 -1.051 316 1HD1 ILE 47 1HD1 ILE 47 11.686 9.760 -2.700 317 2HD1 ILE 47 2HD1 ILE 47 11.987 8.656 -4.042 318 3HD1 ILE 47 3HD1 ILE 47 13.335 9.486 -3.262 319 HA PRO 48 HA PRO 48 13.175 5.750 2.860 320 1HB PRO 48 HB2 PRO 48 14.484 3.335 2.733 321 2HB PRO 48 HB1 PRO 48 12.793 3.509 3.235 322 1HG PRO 48 HG2 PRO 48 13.890 2.488 0.654 323 2HG PRO 48 HG1 PRO 48 12.357 2.102 1.453 324 1HD PRO 48 HD2 PRO 48 12.675 3.864 -0.732 325 2HD PRO 48 HD1 PRO 48 11.237 3.742 0.305 326 H ARG 49 H ARG 49 14.939 7.090 2.911 327 HA ARG 49 HA ARG 49 17.073 6.758 0.878 328 1HB ARG 49 HB2 ARG 49 16.166 9.024 1.260 329 2HB ARG 49 HB1 ARG 49 16.639 8.925 2.957 330 1HG ARG 49 HG2 ARG 49 18.581 9.877 2.271 331 2HG ARG 49 HG1 ARG 49 18.982 8.267 1.671 332 1HD ARG 49 HD2 ARG 49 17.292 9.558 -0.250 333 2HD ARG 49 HD1 ARG 49 18.614 10.651 0.158 334 HE ARG 49 HE ARG 49 19.792 8.132 -0.248 335 1HH1 ARG 49 1HH2 ARG 49 18.425 10.803 -1.891 336 2HH1 ARG 49 2HH2 ARG 49 18.859 10.239 -3.470 337 1HH2 ARG 49 1HH1 ARG 49 20.134 7.222 -2.332 338 2HH2 ARG 49 2HH1 ARG 49 19.827 8.212 -3.720 339 H GLY 50 H GLY 50 18.781 5.499 1.422 340 1HA GLY 50 HA2 GLY 50 20.675 5.675 3.268 341 2HA GLY 50 HA1 GLY 50 19.382 5.058 4.298 342 H GLU 51 H GLU 51 20.819 4.297 1.098 343 HA GLU 51 HA GLU 51 21.450 2.229 0.189 344 1HB GLU 51 HB2 GLU 51 21.984 2.051 3.026 345 2HB GLU 51 HB1 GLU 51 21.451 0.486 2.411 346 1HG GLU 51 HG2 GLU 51 23.271 1.699 0.530 347 2HG GLU 51 HG1 GLU 51 24.012 1.652 2.130 348 H MET 52 H MET 52 18.538 2.974 0.993 349 HA MET 52 HA MET 52 17.409 0.216 0.993 350 1HB MET 52 HB2 MET 52 16.196 2.916 1.630 351 2HB MET 52 HB1 MET 52 15.236 1.444 1.479 352 1HG MET 52 HG2 MET 52 17.287 0.654 3.153 353 2HG MET 52 HG1 MET 52 16.984 2.313 3.670 354 1HE MET 52 HE1 MET 52 14.107 2.614 5.414 355 2HE MET 52 HE2 MET 52 15.802 2.945 5.069 356 3HE MET 52 HE3 MET 52 15.376 1.721 6.263 357 HA PRO 53 HA PRO 53 16.328 0.735 -3.251 358 1HB PRO 53 HB2 PRO 53 14.456 -1.276 -3.393 359 2HB PRO 53 HB1 PRO 53 16.205 -1.565 -3.362 360 1HG PRO 53 HG2 PRO 53 14.198 -1.946 -1.185 361 2HG PRO 53 HG1 PRO 53 15.734 -2.787 -1.455 362 1HD PRO 53 HD2 PRO 53 15.301 -0.729 0.427 363 2HD PRO 53 HD1 PRO 53 16.885 -1.313 -0.128 364 H ASP 54 H ASP 54 13.917 0.502 -4.464 365 HA ASP 54 HA ASP 54 12.283 2.583 -3.096 366 1HB ASP 54 HB2 ASP 54 12.475 1.682 -5.978 367 2HB ASP 54 HB1 ASP 54 11.205 2.764 -5.407 368 H ASP 55 H ASP 55 9.883 2.351 -3.304 369 HA ASP 55 HA ASP 55 9.093 -0.529 -3.129 370 1HB ASP 55 HB2 ASP 55 7.646 1.825 -1.887 371 2HB ASP 55 HB1 ASP 55 7.404 0.111 -1.546 372 H ARG 56 H ARG 56 8.274 -0.988 -5.144 373 HA ARG 56 HA ARG 56 6.528 0.999 -6.496 374 1HB ARG 56 HB2 ARG 56 8.479 -0.369 -7.586 375 2HB ARG 56 HB1 ARG 56 7.287 -1.668 -7.643 376 1HG ARG 56 HG2 ARG 56 6.426 -0.737 -9.489 377 2HG ARG 56 HG1 ARG 56 5.960 0.665 -8.525 378 1HD ARG 56 HD2 ARG 56 7.319 1.556 -10.254 379 2HD ARG 56 HD1 ARG 56 8.380 1.478 -8.846 380 HE ARG 56 HE ARG 56 8.470 -0.886 -10.592 381 1HH1 ARG 56 1HH2 ARG 56 10.705 0.040 -8.799 382 2HH1 ARG 56 2HH2 ARG 56 11.821 0.712 -9.939 383 1HH2 ARG 56 1HH1 ARG 56 9.488 0.924 -12.496 384 2HH2 ARG 56 2HH1 ARG 56 11.131 1.214 -12.033 385 H CYS 57 H CYS 57 4.360 0.767 -6.526 386 HA CYS 57 HA CYS 57 3.129 -1.496 -5.143 387 1HB CYS 57 HB2 CYS 57 2.106 0.995 -6.492 388 2HB CYS 57 HB1 CYS 57 0.989 -0.303 -6.071 389 H THR 58 H THR 58 1.488 -2.865 -6.221 390 HA THR 58 HA THR 58 2.404 -3.624 -8.927 391 HB THR 58 HB THR 58 1.521 -5.725 -8.504 392 HG1 THR 58 HG1 THR 58 -0.260 -4.573 -6.627 393 1HG2 THR 58 1HG2 THR 58 3.098 -4.833 -6.607 394 2HG2 THR 58 2HG2 THR 58 2.249 -6.363 -6.379 395 3HG2 THR 58 3HG2 THR 58 1.637 -4.893 -5.622 396 H GLY 59 H GLY 59 0.226 -1.465 -7.793 397 1HA GLY 59 HA2 GLY 59 -1.370 -0.294 -9.138 398 2HA GLY 59 HA1 GLY 59 -1.351 -1.638 -10.279 399 H GLN 60 H GLN 60 -2.140 -3.801 -9.060 400 HA GLN 60 HA GLN 60 -4.903 -3.317 -8.364 401 1HB GLN 60 HB2 GLN 60 -3.291 -5.856 -7.957 402 2HB GLN 60 HB1 GLN 60 -5.047 -5.724 -8.055 403 1HG GLN 60 HG2 GLN 60 -4.971 -5.114 -10.362 404 2HG GLN 60 HG1 GLN 60 -3.229 -4.843 -10.305 405 1HE2 GLN 60 1HE2 GLN 60 -4.818 -7.622 -8.754 406 2HE2 GLN 60 2HE2 GLN 60 -4.144 -8.795 -9.778 407 H SER 61 H SER 61 -2.043 -3.098 -6.580 408 HA SER 61 HA SER 61 -3.372 -3.811 -4.018 409 1HB SER 61 HB2 SER 61 -1.052 -4.621 -4.455 410 2HB SER 61 HB1 SER 61 -0.512 -2.946 -4.541 411 HG SER 61 HG SER 61 -0.955 -4.490 -2.385 412 H ALA 62 H ALA 62 -4.250 -2.233 -2.775 413 HA ALA 62 HA ALA 62 -3.963 0.572 -3.570 414 1HB ALA 62 HB1 ALA 62 -6.104 0.340 -2.789 415 2HB ALA 62 HB2 ALA 62 -5.342 0.675 -1.234 416 3HB ALA 62 HB3 ALA 62 -5.673 -0.989 -1.713 417 H ASP 63 H ASP 63 -2.873 -1.531 -0.948 418 HA ASP 63 HA ASP 63 -1.511 0.753 0.359 419 1HB ASP 63 HB2 ASP 63 -1.284 -2.101 1.275 420 2HB ASP 63 HB1 ASP 63 -1.262 -0.620 2.234 421 H CYS 64 H CYS 64 0.808 -0.214 1.276 422 HA CYS 64 HA CYS 64 2.226 -1.331 -1.100 423 1HB CYS 64 HB2 CYS 64 2.682 1.037 -1.111 424 2HB CYS 64 HB1 CYS 64 3.064 1.025 0.609 425 HA PRO 65 HA PRO 65 3.658 -4.062 2.046 426 1HB PRO 65 HB2 PRO 65 5.026 -5.658 0.293 427 2HB PRO 65 HB1 PRO 65 3.283 -5.768 0.543 428 1HG PRO 65 HG2 PRO 65 4.802 -4.659 -1.759 429 2HG PRO 65 HG1 PRO 65 3.145 -5.285 -1.705 430 1HD PRO 65 HD2 PRO 65 3.909 -2.554 -1.729 431 2HD PRO 65 HD1 PRO 65 2.284 -3.193 -1.403 432 H ARG 66 H ARG 66 6.179 -5.333 1.736 433 HA ARG 66 HA ARG 66 8.072 -3.019 1.658 434 1HB ARG 66 HB2 ARG 66 9.271 -4.030 3.568 435 2HB ARG 66 HB1 ARG 66 7.605 -3.643 3.998 436 1HG ARG 66 HG2 ARG 66 6.920 -5.925 3.795 437 2HG ARG 66 HG1 ARG 66 8.435 -6.380 3.013 438 1HD ARG 66 HD2 ARG 66 8.410 -7.066 5.391 439 2HD ARG 66 HD1 ARG 66 9.671 -5.872 5.078 440 HE ARG 66 HE ARG 66 8.571 -4.496 6.626 441 1HH1 ARG 66 1HH1 ARG 66 6.870 -6.855 7.507 442 2HH1 ARG 66 2HH1 ARG 66 5.274 -6.206 7.334 443 1HH2 ARG 66 1HH2 ARG 66 6.287 -3.547 5.349 444 2HH2 ARG 66 2HH2 ARG 66 4.943 -4.331 6.112 445 H TYR 67 H TYR 67 10.392 -3.805 1.415 446 HA TYR 67 HA TYR 67 10.441 -5.931 -0.647 447 1HB TYR 67 HB2 TYR 67 11.570 -3.590 -0.835 448 2HB TYR 67 HB1 TYR 67 12.813 -4.281 0.207 449 HD1 TYR 67 HD1 TYR 67 10.771 -5.877 -2.492 450 HD2 TYR 67 HD2 TYR 67 14.677 -4.667 -1.174 451 HE1 TYR 67 HE1 TYR 67 11.784 -7.012 -4.451 452 HE2 TYR 67 HE2 TYR 67 15.689 -5.800 -3.134 453 HH TYR 67 HH TYR 67 14.060 -8.020 -5.015 454 H HIS 68 H HIS 68 10.069 -6.689 2.137 455 HA HIS 68 HA HIS 68 12.276 -8.614 2.334 456 1HB HIS 68 HB2 HIS 68 12.561 -6.218 3.710 457 2HB HIS 68 HB1 HIS 68 11.896 -7.308 4.926 458 HD1 HIS 68 HD1 HIS 68 14.948 -6.251 4.713 459 HD2 HIS 68 HD2 HIS 68 13.538 -10.029 3.658 460 HE1 HIS 68 HE1 HIS 68 16.941 -7.811 4.806 Start of MODEL 10 1 1H GLY 1 HT1 GLY 1 -12.352 -14.367 9.694 2 2H GLY 1 HT2 GLY 1 -13.675 -15.355 10.096 3 3H GLY 1 HT3 GLY 1 -13.602 -13.755 10.664 4 1HA GLY 1 HA1 GLY 1 -13.933 -14.624 7.845 5 2HA GLY 1 HA2 GLY 1 -15.151 -13.847 8.858 6 H LYS 2 H LYS 2 -14.759 -12.472 6.656 7 HA LYS 2 HA LYS 2 -12.685 -10.404 7.242 8 1HB LYS 2 HB2 LYS 2 -12.455 -11.342 5.022 9 2HB LYS 2 HB1 LYS 2 -14.171 -11.105 4.694 10 1HG LYS 2 HG2 LYS 2 -13.808 -8.629 5.007 11 2HG LYS 2 HG1 LYS 2 -12.076 -8.954 5.097 12 1HD LYS 2 HD2 LYS 2 -13.668 -10.014 2.777 13 2HD LYS 2 HD1 LYS 2 -13.147 -8.329 2.782 14 1HE LYS 2 HE2 LYS 2 -10.860 -9.673 3.567 15 2HE LYS 2 HE1 LYS 2 -11.566 -10.766 2.377 16 1HZ LYS 2 HZ1 LYS 2 -11.527 -9.126 0.740 17 2HZ LYS 2 HZ2 LYS 2 -10.032 -8.948 1.529 18 3HZ LYS 2 HZ3 LYS 2 -11.303 -7.869 1.857 19 H GLU 3 H GLU 3 -13.928 -9.249 8.811 20 HA GLU 3 HA GLU 3 -16.496 -8.086 7.842 21 1HB GLU 3 HB2 GLU 3 -15.297 -8.532 10.567 22 2HB GLU 3 HB1 GLU 3 -16.564 -7.325 10.344 23 1HG GLU 3 HG2 GLU 3 -17.891 -9.180 9.154 24 2HG GLU 3 HG1 GLU 3 -16.716 -10.299 9.844 25 H CYS 4 H CYS 4 -13.692 -7.213 7.094 26 HA CYS 4 HA CYS 4 -14.186 -4.370 7.299 27 1HB CYS 4 HB2 CYS 4 -13.290 -4.703 9.550 28 2HB CYS 4 HB1 CYS 4 -11.881 -5.533 8.888 29 H ASP 5 H ASP 5 -13.271 -3.437 5.538 30 HA ASP 5 HA ASP 5 -11.179 -4.996 4.079 31 1HB ASP 5 HB2 ASP 5 -13.567 -4.218 3.101 32 2HB ASP 5 HB1 ASP 5 -12.633 -2.764 2.742 33 H CYS 6 H CYS 6 -11.953 -1.963 5.598 34 HA CYS 6 HA CYS 6 -9.335 -0.848 4.684 35 1HB CYS 6 HB2 CYS 6 -10.234 1.348 5.117 36 2HB CYS 6 HB1 CYS 6 -11.442 0.469 4.181 37 H SER 7 H SER 7 -7.763 -0.703 6.207 38 HA SER 7 HA SER 7 -8.147 -1.712 8.861 39 1HB SER 7 HB2 SER 7 -5.974 -1.431 7.375 40 2HB SER 7 HB1 SER 7 -5.861 0.113 8.214 41 HG SER 7 HG SER 7 -4.964 -2.053 9.133 42 H SER 8 H SER 8 -8.587 1.453 7.507 43 HA SER 8 HA SER 8 -8.562 2.664 10.221 44 1HB SER 8 HB2 SER 8 -9.051 4.170 7.661 45 2HB SER 8 HB1 SER 8 -8.385 4.765 9.179 46 HG SER 8 HG SER 8 -7.166 3.472 7.076 47 HA PRO 9 HA PRO 9 -13.011 2.308 10.111 48 1HB PRO 9 HB2 PRO 9 -13.406 3.370 12.615 49 2HB PRO 9 HB1 PRO 9 -12.897 1.696 12.333 50 1HG PRO 9 HG2 PRO 9 -11.285 4.009 13.304 51 2HG PRO 9 HG1 PRO 9 -11.046 2.275 13.587 52 1HD PRO 9 HD2 PRO 9 -9.609 3.872 11.739 53 2HD PRO 9 HD1 PRO 9 -9.613 2.096 11.807 54 H GLU 10 H GLU 10 -11.184 5.226 10.838 55 HA GLU 10 HA GLU 10 -13.546 6.952 10.389 56 1HB GLU 10 HB2 GLU 10 -11.947 8.804 10.868 57 2HB GLU 10 HB1 GLU 10 -11.983 7.605 12.162 58 1HG GLU 10 HG2 GLU 10 -9.952 6.569 11.345 59 2HG GLU 10 HG1 GLU 10 -9.958 7.592 9.907 60 H ASN 11 H ASN 11 -12.860 5.381 8.168 61 HA ASN 11 HA ASN 11 -11.612 7.385 6.339 62 1HB ASN 11 HB2 ASN 11 -10.410 5.185 6.606 63 2HB ASN 11 HB1 ASN 11 -11.828 4.391 5.924 64 1HD2 ASN 11 1HD2 ASN 11 -8.874 5.117 4.938 65 2HD2 ASN 11 2HD2 ASN 11 -9.157 5.641 3.349 66 HA PRO 12 HA PRO 12 -15.668 7.529 4.547 67 1HB PRO 12 HB2 PRO 12 -14.993 9.135 2.418 68 2HB PRO 12 HB1 PRO 12 -15.244 9.742 4.063 69 1HG PRO 12 HG2 PRO 12 -12.686 9.339 2.582 70 2HG PRO 12 HG1 PRO 12 -13.060 10.478 3.886 71 1HD PRO 12 HD2 PRO 12 -11.634 8.056 4.173 72 2HD PRO 12 HD1 PRO 12 -12.324 9.019 5.496 73 H CYS 13 H CYS 13 -12.810 6.337 2.995 74 HA CYS 13 HA CYS 13 -14.007 5.511 0.498 75 1HB CYS 13 HB2 CYS 13 -11.543 4.588 1.997 76 2HB CYS 13 HB1 CYS 13 -11.995 3.964 0.414 77 H CYS 14 H CYS 14 -14.065 4.258 3.730 78 HA CYS 14 HA CYS 14 -15.516 1.860 2.705 79 1HB CYS 14 HB2 CYS 14 -14.474 0.466 4.386 80 2HB CYS 14 HB1 CYS 14 -13.195 1.286 3.488 81 H ASP 15 H ASP 15 -16.935 0.877 4.413 82 HA ASP 15 HA ASP 15 -18.297 3.047 5.900 83 1HB ASP 15 HB2 ASP 15 -19.513 1.357 4.397 84 2HB ASP 15 HB1 ASP 15 -19.188 0.168 5.659 85 H ALA 16 H ALA 16 -17.945 3.292 8.049 86 HA ALA 16 HA ALA 16 -16.202 1.554 9.526 87 1HB ALA 16 HB1 ALA 16 -16.456 3.055 11.278 88 2HB ALA 16 HB2 ALA 16 -18.163 3.330 10.932 89 3HB ALA 16 HB3 ALA 16 -16.927 4.075 9.920 90 H ALA 17 H ALA 17 -19.718 1.754 9.223 91 HA ALA 17 HA ALA 17 -20.540 0.177 11.387 92 1HB ALA 17 HB1 ALA 17 -21.569 0.503 8.583 93 2HB ALA 17 HB2 ALA 17 -22.311 0.998 10.105 94 3HB ALA 17 HB3 ALA 17 -22.302 -0.703 9.640 95 H THR 18 H THR 18 -19.488 -0.964 8.164 96 HA THR 18 HA THR 18 -19.127 -3.673 9.376 97 HB THR 18 HB THR 18 -20.690 -3.700 7.508 98 HG1 THR 18 HG1 THR 18 -19.368 -5.011 6.041 99 1HG2 THR 18 1HG2 THR 18 -18.831 -1.753 6.453 100 2HG2 THR 18 2HG2 THR 18 -20.467 -2.130 5.914 101 3HG2 THR 18 3HG2 THR 18 -19.098 -3.046 5.283 102 H CYS 19 H CYS 19 -17.376 -1.005 8.775 103 HA CYS 19 HA CYS 19 -15.099 -0.600 8.370 104 1HB CYS 19 HB2 CYS 19 -15.146 -2.467 10.214 105 2HB CYS 19 HB1 CYS 19 -14.585 -3.514 8.911 106 H LYS 20 H LYS 20 -16.896 -1.833 6.191 107 HA LYS 20 HA LYS 20 -14.666 -2.878 4.487 108 1HB LYS 20 HB2 LYS 20 -17.632 -3.435 4.201 109 2HB LYS 20 HB1 LYS 20 -16.338 -4.132 3.226 110 1HG LYS 20 HG2 LYS 20 -15.700 -4.549 5.986 111 2HG LYS 20 HG1 LYS 20 -17.359 -5.081 5.715 112 1HD LYS 20 HD2 LYS 20 -15.359 -5.858 3.653 113 2HD LYS 20 HD1 LYS 20 -15.240 -6.665 5.217 114 1HE LYS 20 HE2 LYS 20 -16.723 -8.025 3.961 115 2HE LYS 20 HE1 LYS 20 -17.775 -7.069 5.005 116 1HZ LYS 20 HZ1 LYS 20 -17.162 -6.600 2.143 117 2HZ LYS 20 HZ2 LYS 20 -17.954 -5.461 3.123 118 3HZ LYS 20 HZ3 LYS 20 -18.667 -6.975 2.831 119 H LEU 21 H LEU 21 -14.798 -2.277 2.190 120 HA LEU 21 HA LEU 21 -15.017 0.445 1.694 121 1HB LEU 21 HB2 LEU 21 -15.259 -1.960 -0.082 122 2HB LEU 21 HB1 LEU 21 -15.537 -0.352 -0.751 123 HG LEU 21 HG LEU 21 -13.169 -0.426 0.947 124 1HD1 LEU 21 1HD1 LEU 21 -13.593 -2.709 -0.706 125 2HD1 LEU 21 2HD1 LEU 21 -12.144 -2.281 0.204 126 3HD1 LEU 21 3HD1 LEU 21 -12.337 -1.730 -1.461 127 1HD2 LEU 21 1HD2 LEU 21 -13.929 0.426 -1.837 128 2HD2 LEU 21 2HD2 LEU 21 -12.233 0.402 -1.354 129 3HD2 LEU 21 3HD2 LEU 21 -13.382 1.419 -0.485 130 H ARG 22 H ARG 22 -16.689 1.857 1.278 131 HA ARG 22 HA ARG 22 -19.417 0.779 1.622 132 1HB ARG 22 HB2 ARG 22 -19.347 2.607 2.986 133 2HB ARG 22 HB1 ARG 22 -18.110 3.413 2.033 134 1HG ARG 22 HG2 ARG 22 -19.724 4.193 0.438 135 2HG ARG 22 HG1 ARG 22 -20.975 3.132 1.086 136 1HD ARG 22 HD2 ARG 22 -19.705 5.112 2.935 137 2HD ARG 22 HD1 ARG 22 -20.883 5.702 1.763 138 HE ARG 22 HE ARG 22 -22.412 3.863 2.772 139 1HH1 ARG 22 1HH2 ARG 22 -19.662 4.098 4.621 140 2HH1 ARG 22 2HH2 ARG 22 -20.462 4.503 6.103 141 1HH2 ARG 22 1HH1 ARG 22 -23.554 4.991 4.611 142 2HH2 ARG 22 2HH1 ARG 22 -22.666 5.010 6.097 143 HA PRO 23 HA PRO 23 -20.020 2.994 -2.542 144 1HB PRO 23 HB2 PRO 23 -17.867 4.256 -3.696 145 2HB PRO 23 HB1 PRO 23 -18.993 5.055 -2.585 146 1HG PRO 23 HG2 PRO 23 -16.207 4.117 -2.080 147 2HG PRO 23 HG1 PRO 23 -17.109 5.425 -1.299 148 1HD PRO 23 HD2 PRO 23 -16.665 2.857 -0.217 149 2HD PRO 23 HD1 PRO 23 -17.846 4.045 0.369 150 H GLY 24 H GLY 24 -18.505 2.976 -4.922 151 1HA GLY 24 HA2 GLY 24 -17.969 0.084 -5.175 152 2HA GLY 24 HA1 GLY 24 -18.108 1.230 -6.508 153 H ALA 25 H ALA 25 -16.090 1.878 -3.714 154 HA ALA 25 HA ALA 25 -13.768 2.295 -5.388 155 1HB ALA 25 HB1 ALA 25 -14.157 2.183 -2.389 156 2HB ALA 25 HB2 ALA 25 -13.954 3.615 -3.395 157 3HB ALA 25 HB3 ALA 25 -12.597 2.518 -3.140 158 H GLN 26 H GLN 26 -11.692 1.098 -5.057 159 HA GLN 26 HA GLN 26 -12.245 -1.813 -4.812 160 1HB GLN 26 HB2 GLN 26 -10.604 -0.215 -6.536 161 2HB GLN 26 HB1 GLN 26 -9.564 -1.318 -5.635 162 1HG GLN 26 HG2 GLN 26 -10.162 -2.741 -7.339 163 2HG GLN 26 HG1 GLN 26 -11.529 -3.035 -6.264 164 1HE2 GLN 26 1HE2 GLN 26 -10.533 -1.046 -9.083 165 2HE2 GLN 26 2HE2 GLN 26 -12.108 -0.828 -9.679 166 H CYS 27 H CYS 27 -10.858 0.761 -3.056 167 HA CYS 27 HA CYS 27 -9.906 -1.122 -1.012 168 1HB CYS 27 HB2 CYS 27 -7.644 -0.052 -0.902 169 2HB CYS 27 HB1 CYS 27 -7.907 -0.977 -2.379 170 H GLY 28 H GLY 28 -9.645 -0.098 1.046 171 1HA GLY 28 HA2 GLY 28 -11.064 2.483 1.247 172 2HA GLY 28 HA1 GLY 28 -10.679 1.415 2.592 173 H GLU 29 H GLU 29 -7.893 1.130 1.475 174 HA GLU 29 HA GLU 29 -6.686 3.755 1.546 175 1HB GLU 29 HB2 GLU 29 -5.608 3.568 3.721 176 2HB GLU 29 HB1 GLU 29 -7.351 3.482 3.932 177 1HG GLU 29 HG2 GLU 29 -7.130 1.483 4.930 178 2HG GLU 29 HG1 GLU 29 -6.407 0.836 3.456 179 H GLY 30 H GLY 30 -4.138 3.095 2.414 180 1HA GLY 30 HA2 GLY 30 -2.742 0.901 2.063 181 2HA GLY 30 HA1 GLY 30 -3.395 1.002 0.429 182 H LEU 31 H LEU 31 -0.713 1.060 0.558 183 HA LEU 31 HA LEU 31 0.345 3.760 0.859 184 1HB LEU 31 HB2 LEU 31 1.408 1.093 0.090 185 2HB LEU 31 HB1 LEU 31 2.253 2.486 -0.580 186 HG LEU 31 HG LEU 31 2.002 3.336 1.959 187 1HD1 LEU 31 1HD1 LEU 31 0.891 0.958 2.335 188 2HD1 LEU 31 2HD1 LEU 31 1.971 1.644 3.549 189 3HD1 LEU 31 3HD1 LEU 31 2.572 0.430 2.420 190 1HD2 LEU 31 1HD2 LEU 31 4.302 2.103 2.288 191 2HD2 LEU 31 2HD2 LEU 31 4.150 3.333 1.033 192 3HD2 LEU 31 3HD2 LEU 31 4.071 1.623 0.606 193 H CYS 32 H CYS 32 -0.841 1.765 -1.806 194 HA CYS 32 HA CYS 32 -0.504 4.150 -3.572 195 1HB CYS 32 HB2 CYS 32 -0.267 1.259 -4.443 196 2HB CYS 32 HB1 CYS 32 -0.005 2.688 -5.441 197 H CYS 33 H CYS 33 -2.791 4.402 -2.604 198 HA CYS 33 HA CYS 33 -4.692 3.138 -4.516 199 1HB CYS 33 HB2 CYS 33 -4.648 2.774 -1.630 200 2HB CYS 33 HB1 CYS 33 -6.161 3.515 -2.149 201 H GLU 34 H GLU 34 -5.658 4.776 -5.611 202 HA GLU 34 HA GLU 34 -5.836 7.437 -4.273 203 1HB GLU 34 HB2 GLU 34 -4.478 7.490 -6.284 204 2HB GLU 34 HB1 GLU 34 -5.741 6.675 -7.205 205 1HG GLU 34 HG2 GLU 34 -7.233 8.692 -6.462 206 2HG GLU 34 HG1 GLU 34 -5.692 9.494 -6.155 207 H GLN 35 H GLN 35 -7.814 8.317 -3.955 208 HA GLN 35 HA GLN 35 -10.120 8.527 -3.882 209 1HB GLN 35 HB2 GLN 35 -11.213 8.596 -5.914 210 2HB GLN 35 HB1 GLN 35 -9.543 8.672 -6.459 211 1HG GLN 35 HG2 GLN 35 -9.865 6.810 -7.675 212 2HG GLN 35 HG1 GLN 35 -10.249 5.904 -6.217 213 1HE2 GLN 35 1HE2 GLN 35 -12.659 6.733 -5.376 214 2HE2 GLN 35 2HE2 GLN 35 -13.838 6.636 -6.593 215 H CYS 36 H CYS 36 -8.910 6.149 -2.746 216 HA CYS 36 HA CYS 36 -9.745 4.223 -1.673 217 1HB CYS 36 HB2 CYS 36 -12.344 4.528 -3.157 218 2HB CYS 36 HB1 CYS 36 -12.064 3.904 -1.535 219 H LYS 37 H LYS 37 -9.165 4.620 -4.871 220 HA LYS 37 HA LYS 37 -9.954 1.839 -5.589 221 1HB LYS 37 HB2 LYS 37 -9.571 4.356 -7.116 222 2HB LYS 37 HB1 LYS 37 -9.040 2.874 -7.915 223 1HG LYS 37 HG2 LYS 37 -11.178 1.972 -7.969 224 2HG LYS 37 HG1 LYS 37 -11.720 2.905 -6.573 225 1HD LYS 37 HD2 LYS 37 -12.704 4.282 -8.074 226 2HD LYS 37 HD1 LYS 37 -11.075 4.872 -8.410 227 1HE LYS 37 HE2 LYS 37 -11.688 2.374 -9.812 228 2HE LYS 37 HE1 LYS 37 -12.767 3.694 -10.261 229 1HZ LYS 37 HZ1 LYS 37 -9.914 3.395 -10.708 230 2HZ LYS 37 HZ2 LYS 37 -10.427 4.951 -10.256 231 3HZ LYS 37 HZ3 LYS 37 -11.080 4.206 -11.636 232 H PHE 38 H PHE 38 -8.316 0.677 -6.994 233 HA PHE 38 HA PHE 38 -5.766 0.612 -5.615 234 1HB PHE 38 HB2 PHE 38 -6.830 -0.794 -8.076 235 2HB PHE 38 HB1 PHE 38 -5.203 -1.068 -7.452 236 HD1 PHE 38 HD1 PHE 38 -5.746 -0.864 -4.501 237 HD2 PHE 38 HD2 PHE 38 -7.905 -2.857 -7.638 238 HE1 PHE 38 HE1 PHE 38 -6.663 -2.472 -2.851 239 HE2 PHE 38 HE2 PHE 38 -8.819 -4.464 -5.987 240 HZ PHE 38 HZ PHE 38 -8.199 -4.271 -3.594 241 H SER 39 H SER 39 -4.076 1.937 -6.057 242 HA SER 39 HA SER 39 -4.034 3.906 -8.075 243 1HB SER 39 HB2 SER 39 -1.704 4.200 -7.543 244 2HB SER 39 HB1 SER 39 -2.511 3.744 -6.045 245 HG SER 39 HG SER 39 -1.919 1.509 -6.749 246 H ARG 40 H ARG 40 -1.719 3.701 -9.527 247 HA ARG 40 HA ARG 40 -2.240 1.321 -11.263 248 1HB ARG 40 HB2 ARG 40 -1.545 4.178 -11.888 249 2HB ARG 40 HB1 ARG 40 -1.066 2.903 -13.008 250 1HG ARG 40 HG2 ARG 40 -3.265 2.330 -13.512 251 2HG ARG 40 HG1 ARG 40 -3.886 2.959 -11.987 252 1HD ARG 40 HD2 ARG 40 -3.755 5.202 -12.722 253 2HD ARG 40 HD1 ARG 40 -2.663 4.794 -14.045 254 HE ARG 40 HE ARG 40 -5.296 3.528 -14.249 255 1HH1 ARG 40 1HH1 ARG 40 -3.479 4.346 -16.537 256 2HH1 ARG 40 2HH1 ARG 40 -4.338 5.700 -17.190 257 1HH2 ARG 40 1HH2 ARG 40 -6.351 6.108 -14.399 258 2HH2 ARG 40 2HH2 ARG 40 -5.966 6.696 -15.981 259 H ALA 41 H ALA 41 -0.430 0.130 -11.936 260 HA ALA 41 HA ALA 41 1.793 -0.119 -10.290 261 1HB ALA 41 HB1 ALA 41 1.475 -1.831 -11.892 262 2HB ALA 41 HB2 ALA 41 2.953 -1.028 -12.420 263 3HB ALA 41 HB3 ALA 41 1.425 -0.686 -13.232 264 H GLY 42 H GLY 42 4.159 0.378 -11.046 265 1HA GLY 42 HA2 GLY 42 5.770 2.013 -11.612 266 2HA GLY 42 HA1 GLY 42 4.544 2.784 -12.612 267 H LYS 43 H LYS 43 3.854 2.053 -9.270 268 HA LYS 43 HA LYS 43 3.875 5.002 -8.737 269 1HB LYS 43 HB2 LYS 43 1.659 4.113 -8.482 270 2HB LYS 43 HB1 LYS 43 2.251 2.748 -7.537 271 1HG LYS 43 HG2 LYS 43 1.245 4.475 -6.079 272 2HG LYS 43 HG1 LYS 43 2.967 4.282 -5.749 273 1HD LYS 43 HD2 LYS 43 2.198 6.686 -5.923 274 2HD LYS 43 HD1 LYS 43 3.510 6.254 -7.021 275 1HE LYS 43 HE2 LYS 43 2.214 6.511 -8.875 276 2HE LYS 43 HE1 LYS 43 0.798 5.800 -8.100 277 1HZ LYS 43 HZ1 LYS 43 1.068 8.406 -8.636 278 2HZ LYS 43 HZ2 LYS 43 1.629 8.359 -7.034 279 3HZ LYS 43 HZ3 LYS 43 0.072 7.791 -7.408 280 H ILE 44 H ILE 44 5.463 5.696 -7.413 281 HA ILE 44 HA ILE 44 7.206 3.843 -6.051 282 HB ILE 44 HB ILE 44 8.125 5.930 -6.836 283 1HG1 ILE 44 2HG1 ILE 44 9.025 6.869 -4.675 284 2HG1 ILE 44 1HG1 ILE 44 7.888 5.833 -3.813 285 1HG2 ILE 44 1HG2 ILE 44 5.648 6.959 -5.817 286 2HG2 ILE 44 2HG2 ILE 44 6.850 7.784 -6.811 287 3HG2 ILE 44 3HG2 ILE 44 6.978 7.830 -5.054 288 1HD1 ILE 44 1HD1 ILE 44 9.651 4.571 -5.871 289 2HD1 ILE 44 2HD1 ILE 44 9.015 3.893 -4.373 290 3HD1 ILE 44 3HD1 ILE 44 10.370 5.020 -4.324 291 H CYS 45 H CYS 45 6.523 2.761 -4.257 292 HA CYS 45 HA CYS 45 4.609 4.075 -2.408 293 1HB CYS 45 HB2 CYS 45 4.732 1.816 -1.223 294 2HB CYS 45 HB1 CYS 45 4.043 1.804 -2.842 295 H ARG 46 H ARG 46 7.960 3.119 -2.636 296 HA ARG 46 HA ARG 46 8.530 4.663 -0.185 297 1HB ARG 46 HB2 ARG 46 8.460 1.804 -0.192 298 2HB ARG 46 HB1 ARG 46 10.146 2.307 -0.049 299 1HG ARG 46 HG2 ARG 46 9.822 3.298 1.993 300 2HG ARG 46 HG1 ARG 46 8.177 3.800 1.604 301 1HD ARG 46 HD2 ARG 46 7.771 1.157 1.626 302 2HD ARG 46 HD1 ARG 46 9.153 1.211 2.720 303 HE ARG 46 HE ARG 46 7.272 3.203 3.524 304 1HH1 ARG 46 1HH2 ARG 46 6.559 0.029 2.775 305 2HH1 ARG 46 2HH2 ARG 46 6.046 -0.426 4.365 306 1HH2 ARG 46 1HH1 ARG 46 7.106 2.529 5.838 307 2HH2 ARG 46 2HH1 ARG 46 6.353 0.991 6.101 308 H ILE 47 H ILE 47 10.644 5.534 -0.223 309 HA ILE 47 HA ILE 47 12.206 4.903 -2.694 310 HB ILE 47 HB ILE 47 11.045 7.098 -2.828 311 1HG1 ILE 47 2HG1 ILE 47 13.823 8.000 -2.521 312 2HG1 ILE 47 1HG1 ILE 47 13.675 6.494 -3.430 313 1HG2 ILE 47 1HG2 ILE 47 11.017 8.533 -1.095 314 2HG2 ILE 47 2HG2 ILE 47 12.774 8.482 -0.950 315 3HG2 ILE 47 3HG2 ILE 47 11.785 7.273 -0.129 316 1HD1 ILE 47 1HD1 ILE 47 12.334 9.142 -4.017 317 2HD1 ILE 47 2HD1 ILE 47 11.853 7.634 -4.792 318 3HD1 ILE 47 3HD1 ILE 47 13.481 8.267 -5.032 319 HA PRO 48 HA PRO 48 15.012 4.212 0.822 320 1HB PRO 48 HB2 PRO 48 16.177 1.997 -0.314 321 2HB PRO 48 HB1 PRO 48 14.698 1.931 0.660 322 1HG PRO 48 HG2 PRO 48 15.012 1.682 -2.294 323 2HG PRO 48 HG1 PRO 48 13.737 1.042 -1.244 324 1HD PRO 48 HD2 PRO 48 13.546 3.349 -2.885 325 2HD PRO 48 HD1 PRO 48 12.402 2.867 -1.614 326 H ARG 49 H ARG 49 16.207 6.136 0.197 327 HA ARG 49 HA ARG 49 17.850 6.223 -2.175 328 1HB ARG 49 HB2 ARG 49 17.480 7.899 0.259 329 2HB ARG 49 HB1 ARG 49 19.007 8.076 -0.604 330 1HG ARG 49 HG2 ARG 49 16.725 7.984 -2.423 331 2HG ARG 49 HG1 ARG 49 16.607 9.317 -1.274 332 1HD ARG 49 HD2 ARG 49 17.956 10.394 -2.765 333 2HD ARG 49 HD1 ARG 49 19.237 9.483 -1.966 334 HE ARG 49 HE ARG 49 18.899 7.752 -3.807 335 1HH1 ARG 49 1HH1 ARG 49 16.968 10.450 -4.357 336 2HH1 ARG 49 2HH1 ARG 49 17.496 10.712 -5.986 337 1HH2 ARG 49 1HH2 ARG 49 20.010 8.326 -5.834 338 2HH2 ARG 49 2HH2 ARG 49 19.218 9.507 -6.823 339 H GLY 50 H GLY 50 20.046 5.780 -2.393 340 1HA GLY 50 HA2 GLY 50 22.220 5.459 -1.073 341 2HA GLY 50 HA1 GLY 50 21.291 4.323 -0.096 342 H GLU 51 H GLU 51 21.921 4.926 -3.579 343 HA GLU 51 HA GLU 51 22.233 3.383 -5.326 344 1HB GLU 51 HB2 GLU 51 23.723 2.085 -3.032 345 2HB GLU 51 HB1 GLU 51 23.795 1.488 -4.690 346 1HG GLU 51 HG2 GLU 51 24.274 4.394 -4.344 347 2HG GLU 51 HG1 GLU 51 25.525 3.327 -3.706 348 H MET 52 H MET 52 19.856 3.029 -3.453 349 HA MET 52 HA MET 52 19.451 0.090 -3.754 350 1HB MET 52 HB2 MET 52 18.527 2.124 -1.854 351 2HB MET 52 HB1 MET 52 17.225 1.091 -2.446 352 1HG MET 52 HG2 MET 52 19.295 -0.699 -1.983 353 2HG MET 52 HG1 MET 52 19.436 0.440 -0.642 354 1HE MET 52 HE1 MET 52 17.449 -1.129 1.771 355 2HE MET 52 HE2 MET 52 18.958 -0.457 1.161 356 3HE MET 52 HE3 MET 52 18.585 -2.157 0.885 357 HA PRO 53 HA PRO 53 16.520 0.638 -6.971 358 1HB PRO 53 HB2 PRO 53 14.689 -1.318 -6.358 359 2HB PRO 53 HB1 PRO 53 16.297 -1.655 -7.024 360 1HG PRO 53 HG2 PRO 53 15.307 -2.016 -4.231 361 2HG PRO 53 HG1 PRO 53 16.590 -2.886 -5.088 362 1HD PRO 53 HD2 PRO 53 16.978 -0.833 -3.186 363 2HD PRO 53 HD1 PRO 53 18.207 -1.459 -4.305 364 H ASP 54 H ASP 54 14.266 1.313 -7.443 365 HA ASP 54 HA ASP 54 13.094 2.803 -5.158 366 1HB ASP 54 HB2 ASP 54 12.444 2.925 -8.120 367 2HB ASP 54 HB1 ASP 54 11.809 4.004 -6.877 368 H ASP 55 H ASP 55 11.323 2.022 -4.140 369 HA ASP 55 HA ASP 55 10.065 -0.440 -4.929 370 1HB ASP 55 HB2 ASP 55 10.180 0.953 -2.612 371 2HB ASP 55 HB1 ASP 55 8.576 1.429 -3.163 372 H ARG 56 H ARG 56 8.247 -0.772 -6.190 373 HA ARG 56 HA ARG 56 6.682 1.617 -7.071 374 1HB ARG 56 HB2 ARG 56 8.548 0.745 -8.693 375 2HB ARG 56 HB1 ARG 56 7.404 -0.561 -9.007 376 1HG ARG 56 HG2 ARG 56 6.201 0.777 -10.339 377 2HG ARG 56 HG1 ARG 56 5.990 1.934 -9.026 378 1HD ARG 56 HD2 ARG 56 7.098 3.103 -10.814 379 2HD ARG 56 HD1 ARG 56 8.302 2.816 -9.559 380 HE ARG 56 HE ARG 56 8.227 1.536 -12.212 381 1HH1 ARG 56 1HH1 ARG 56 10.216 2.601 -9.790 382 2HH1 ARG 56 2HH1 ARG 56 11.287 1.240 -9.798 383 1HH2 ARG 56 1HH2 ARG 56 9.282 -0.661 -11.894 384 2HH2 ARG 56 2HH2 ARG 56 10.761 -0.605 -10.994 385 H CYS 57 H CYS 57 4.572 1.212 -6.601 386 HA CYS 57 HA CYS 57 3.614 -1.425 -5.940 387 1HB CYS 57 HB2 CYS 57 2.198 1.182 -6.546 388 2HB CYS 57 HB1 CYS 57 1.316 -0.304 -6.199 389 H THR 58 H THR 58 2.105 -2.704 -7.169 390 HA THR 58 HA THR 58 2.663 -2.636 -10.058 391 HB THR 58 HB THR 58 1.655 -4.818 -10.115 392 HG1 THR 58 HG1 THR 58 0.707 -5.514 -7.990 393 1HG2 THR 58 1HG2 THR 58 3.166 -4.403 -7.520 394 2HG2 THR 58 2HG2 THR 58 3.864 -4.798 -9.091 395 3HG2 THR 58 3HG2 THR 58 2.855 -5.977 -8.252 396 H GLY 59 H GLY 59 0.613 -0.915 -8.262 397 1HA GLY 59 HA2 GLY 59 -1.242 0.373 -9.014 398 2HA GLY 59 HA1 GLY 59 -1.282 -0.610 -10.481 399 H GLN 60 H GLN 60 -1.566 -3.152 -9.534 400 HA GLN 60 HA GLN 60 -4.342 -3.159 -8.660 401 1HB GLN 60 HB2 GLN 60 -2.348 -5.162 -9.568 402 2HB GLN 60 HB1 GLN 60 -3.595 -5.762 -8.476 403 1HG GLN 60 HG2 GLN 60 -4.805 -4.028 -10.425 404 2HG GLN 60 HG1 GLN 60 -3.838 -5.247 -11.254 405 1HE2 GLN 60 1HE2 GLN 60 -4.120 -7.490 -9.647 406 2HE2 GLN 60 2HE2 GLN 60 -5.753 -7.941 -9.540 407 H SER 61 H SER 61 -1.352 -3.045 -7.040 408 HA SER 61 HA SER 61 -2.491 -4.339 -4.609 409 1HB SER 61 HB2 SER 61 -0.270 -5.114 -5.161 410 2HB SER 61 HB1 SER 61 0.321 -3.462 -5.314 411 HG SER 61 HG SER 61 0.559 -3.397 -3.231 412 H ALA 62 H ALA 62 -3.080 -3.120 -2.861 413 HA ALA 62 HA ALA 62 -2.981 -0.190 -3.129 414 1HB ALA 62 HB1 ALA 62 -5.044 -1.117 -2.280 415 2HB ALA 62 HB2 ALA 62 -4.258 -0.276 -0.944 416 3HB ALA 62 HB3 ALA 62 -4.182 -2.035 -1.043 417 H ASP 63 H ASP 63 -1.667 -2.712 -0.995 418 HA ASP 63 HA ASP 63 -0.124 -0.715 0.525 419 1HB ASP 63 HB2 ASP 63 -0.120 -3.749 0.642 420 2HB ASP 63 HB1 ASP 63 0.719 -2.684 1.770 421 H CYS 64 H CYS 64 2.335 -1.683 0.861 422 HA CYS 64 HA CYS 64 3.409 -2.172 -1.885 423 1HB CYS 64 HB2 CYS 64 3.804 0.158 -1.397 424 2HB CYS 64 HB1 CYS 64 4.425 -0.227 0.205 425 HA PRO 65 HA PRO 65 5.329 -5.484 0.277 426 1HB PRO 65 HB2 PRO 65 6.561 -6.489 -1.950 427 2HB PRO 65 HB1 PRO 65 4.862 -6.770 -1.574 428 1HG PRO 65 HG2 PRO 65 6.083 -5.008 -3.636 429 2HG PRO 65 HG1 PRO 65 4.472 -5.748 -3.603 430 1HD PRO 65 HD2 PRO 65 5.086 -3.054 -2.987 431 2HD PRO 65 HD1 PRO 65 3.545 -3.881 -2.674 432 H ARG 66 H ARG 66 7.690 -6.386 0.298 433 HA ARG 66 HA ARG 66 9.603 -4.104 -0.007 434 1HB ARG 66 HB2 ARG 66 10.815 -5.027 1.942 435 2HB ARG 66 HB1 ARG 66 9.154 -4.607 2.364 436 1HG ARG 66 HG2 ARG 66 8.573 -7.052 1.823 437 2HG ARG 66 HG1 ARG 66 10.312 -7.351 1.857 438 1HD ARG 66 HD2 ARG 66 9.010 -5.895 4.140 439 2HD ARG 66 HD1 ARG 66 8.918 -7.654 4.058 440 HE ARG 66 HE ARG 66 11.582 -6.332 3.890 441 1HH1 ARG 66 1HH2 ARG 66 10.654 -6.390 6.691 442 2HH1 ARG 66 2HH2 ARG 66 11.190 -7.941 7.246 443 1HH2 ARG 66 1HH1 ARG 66 11.696 -9.201 4.054 444 2HH2 ARG 66 2HH1 ARG 66 11.780 -9.533 5.753 445 H TYR 67 H TYR 67 10.948 -4.562 -1.674 446 HA TYR 67 HA TYR 67 11.374 -7.264 -2.634 447 1HB TYR 67 HB2 TYR 67 11.517 -4.976 -3.914 448 2HB TYR 67 HB1 TYR 67 13.181 -4.965 -3.330 449 HD1 TYR 67 HD1 TYR 67 14.394 -7.371 -3.573 450 HD2 TYR 67 HD2 TYR 67 11.144 -5.946 -5.992 451 HE1 TYR 67 HE1 TYR 67 15.037 -8.955 -5.369 452 HE2 TYR 67 HE2 TYR 67 11.787 -7.530 -7.789 453 HH TYR 67 HH TYR 67 14.144 -8.718 -8.435 454 H HIS 68 H HIS 68 12.199 -8.296 -0.675 455 HA HIS 68 HA HIS 68 15.124 -7.867 -0.377 456 1HB HIS 68 HB2 HIS 68 13.287 -6.962 1.532 457 2HB HIS 68 HB1 HIS 68 13.890 -8.487 2.183 458 HD1 HIS 68 HD1 HIS 68 16.251 -8.513 3.091 459 HD2 HIS 68 HD2 HIS 68 15.420 -5.037 0.945 460 HE1 HIS 68 HE1 HIS 68 18.233 -6.973 3.427 Start of MODEL 11 1 1H GLY 1 HT1 GLY 1 -6.844 -9.311 3.728 2 2H GLY 1 HT2 GLY 1 -7.540 -8.638 2.331 3 3H GLY 1 HT3 GLY 1 -8.067 -10.148 2.904 4 1HA GLY 1 HA1 GLY 1 -8.341 -8.317 4.996 5 2HA GLY 1 HA2 GLY 1 -9.050 -7.606 3.547 6 H LYS 2 H LYS 2 -9.811 -9.463 6.147 7 HA LYS 2 HA LYS 2 -11.639 -11.296 4.708 8 1HB LYS 2 HB2 LYS 2 -10.280 -11.367 7.208 9 2HB LYS 2 HB1 LYS 2 -12.010 -11.356 7.552 10 1HG LYS 2 HG2 LYS 2 -12.312 -13.434 6.699 11 2HG LYS 2 HG1 LYS 2 -11.265 -13.112 5.316 12 1HD LYS 2 HD2 LYS 2 -10.288 -14.861 6.745 13 2HD LYS 2 HD1 LYS 2 -9.279 -13.415 6.760 14 1HE LYS 2 HE2 LYS 2 -10.302 -12.708 8.884 15 2HE LYS 2 HE1 LYS 2 -11.336 -14.136 8.869 16 1HZ LYS 2 HZ1 LYS 2 -9.678 -15.432 9.569 17 2HZ LYS 2 HZ2 LYS 2 -8.899 -13.991 10.020 18 3HZ LYS 2 HZ3 LYS 2 -8.540 -14.723 8.530 19 H GLU 3 H GLU 3 -11.906 -8.842 7.311 20 HA GLU 3 HA GLU 3 -14.618 -8.201 6.231 21 1HB GLU 3 HB2 GLU 3 -14.064 -8.013 9.175 22 2HB GLU 3 HB1 GLU 3 -15.601 -8.249 8.342 23 1HG GLU 3 HG2 GLU 3 -15.309 -10.419 8.997 24 2HG GLU 3 HG1 GLU 3 -14.292 -10.491 7.557 25 H CYS 4 H CYS 4 -11.736 -6.990 6.245 26 HA CYS 4 HA CYS 4 -12.704 -4.242 6.809 27 1HB CYS 4 HB2 CYS 4 -10.387 -5.615 8.106 28 2HB CYS 4 HB1 CYS 4 -10.205 -3.912 7.688 29 H ASP 5 H ASP 5 -12.561 -3.363 4.799 30 HA ASP 5 HA ASP 5 -10.323 -4.127 3.019 31 1HB ASP 5 HB2 ASP 5 -12.787 -2.410 2.595 32 2HB ASP 5 HB1 ASP 5 -11.555 -2.679 1.360 33 H CYS 6 H CYS 6 -11.234 -1.622 5.194 34 HA CYS 6 HA CYS 6 -8.920 0.000 4.225 35 1HB CYS 6 HB2 CYS 6 -10.106 2.028 4.558 36 2HB CYS 6 HB1 CYS 6 -11.267 0.975 3.757 37 H SER 7 H SER 7 -8.385 1.664 6.180 38 HA SER 7 HA SER 7 -8.452 0.039 8.692 39 1HB SER 7 HB2 SER 7 -6.201 0.482 7.221 40 2HB SER 7 HB1 SER 7 -6.157 1.865 8.311 41 HG SER 7 HG SER 7 -5.761 0.562 9.922 42 H SER 8 H SER 8 -9.532 2.836 7.316 43 HA SER 8 HA SER 8 -9.346 4.306 9.913 44 1HB SER 8 HB2 SER 8 -8.945 5.166 7.156 45 2HB SER 8 HB1 SER 8 -10.158 6.145 7.976 46 HG SER 8 HG SER 8 -7.762 6.648 8.187 47 HA PRO 9 HA PRO 9 -13.739 3.776 10.014 48 1HB PRO 9 HB2 PRO 9 -14.199 5.421 12.167 49 2HB PRO 9 HB1 PRO 9 -13.541 3.782 12.313 50 1HG PRO 9 HG2 PRO 9 -12.138 6.398 12.591 51 2HG PRO 9 HG1 PRO 9 -11.733 4.827 13.303 52 1HD PRO 9 HD2 PRO 9 -10.480 6.004 11.050 53 2HD PRO 9 HD1 PRO 9 -10.311 4.317 11.579 54 H GLU 10 H GLU 10 -12.331 7.045 10.212 55 HA GLU 10 HA GLU 10 -14.792 8.352 9.362 56 1HB GLU 10 HB2 GLU 10 -12.864 9.382 10.738 57 2HB GLU 10 HB1 GLU 10 -12.025 9.549 9.194 58 1HG GLU 10 HG2 GLU 10 -13.950 10.828 8.298 59 2HG GLU 10 HG1 GLU 10 -14.751 10.697 9.865 60 H ASN 11 H ASN 11 -12.011 6.951 7.780 61 HA ASN 11 HA ASN 11 -11.886 8.221 5.332 62 1HB ASN 11 HB2 ASN 11 -10.603 6.153 6.043 63 2HB ASN 11 HB1 ASN 11 -12.023 5.207 5.592 64 1HD2 ASN 11 1HD2 ASN 11 -9.243 5.365 4.313 65 2HD2 ASN 11 2HD2 ASN 11 -9.550 5.723 2.683 66 HA PRO 12 HA PRO 12 -16.094 7.796 3.918 67 1HB PRO 12 HB2 PRO 12 -15.726 9.206 1.588 68 2HB PRO 12 HB1 PRO 12 -15.935 9.971 3.173 69 1HG PRO 12 HG2 PRO 12 -13.452 9.661 1.551 70 2HG PRO 12 HG1 PRO 12 -13.857 10.891 2.759 71 1HD PRO 12 HD2 PRO 12 -12.174 8.651 3.171 72 2HD PRO 12 HD1 PRO 12 -12.844 9.701 4.437 73 H CYS 13 H CYS 13 -13.224 6.674 2.327 74 HA CYS 13 HA CYS 13 -14.523 5.508 0.014 75 1HB CYS 13 HB2 CYS 13 -11.814 5.439 1.223 76 2HB CYS 13 HB1 CYS 13 -12.265 4.034 0.260 77 H CYS 14 H CYS 14 -14.405 4.621 3.322 78 HA CYS 14 HA CYS 14 -15.590 1.992 2.602 79 1HB CYS 14 HB2 CYS 14 -14.223 0.781 4.156 80 2HB CYS 14 HB1 CYS 14 -13.129 1.727 3.149 81 H ASP 15 H ASP 15 -16.810 1.028 4.379 82 HA ASP 15 HA ASP 15 -18.186 3.113 5.947 83 1HB ASP 15 HB2 ASP 15 -19.290 1.160 4.620 84 2HB ASP 15 HB1 ASP 15 -18.827 0.170 6.002 85 H ALA 16 H ALA 16 -17.834 3.413 8.104 86 HA ALA 16 HA ALA 16 -15.711 2.011 9.456 87 1HB ALA 16 HB1 ALA 16 -16.856 4.403 9.860 88 2HB ALA 16 HB2 ALA 16 -16.024 3.540 11.154 89 3HB ALA 16 HB3 ALA 16 -17.781 3.468 11.035 90 H ALA 17 H ALA 17 -19.236 1.711 9.449 91 HA ALA 17 HA ALA 17 -19.508 -0.033 11.678 92 1HB ALA 17 HB1 ALA 17 -21.240 1.073 9.870 93 2HB ALA 17 HB2 ALA 17 -21.683 -0.190 11.018 94 3HB ALA 17 HB3 ALA 17 -21.249 -0.616 9.363 95 H THR 18 H THR 18 -19.407 -0.952 8.209 96 HA THR 18 HA THR 18 -18.767 -3.717 8.958 97 HB THR 18 HB THR 18 -19.044 -4.240 6.669 98 HG1 THR 18 HG1 THR 18 -18.198 -1.607 6.346 99 1HG2 THR 18 1HG2 THR 18 -21.161 -3.336 6.142 100 2HG2 THR 18 2HG2 THR 18 -20.784 -1.790 6.903 101 3HG2 THR 18 3HG2 THR 18 -21.070 -3.217 7.900 102 H CYS 19 H CYS 19 -17.002 -0.865 8.473 103 HA CYS 19 HA CYS 19 -14.686 -0.482 8.310 104 1HB CYS 19 HB2 CYS 19 -14.574 -2.107 10.156 105 2HB CYS 19 HB1 CYS 19 -14.621 -3.440 9.006 106 H LYS 20 H LYS 20 -16.331 -1.419 5.962 107 HA LYS 20 HA LYS 20 -14.016 -2.329 4.305 108 1HB LYS 20 HB2 LYS 20 -16.859 -3.350 4.086 109 2HB LYS 20 HB1 LYS 20 -15.516 -3.810 3.040 110 1HG LYS 20 HG2 LYS 20 -14.379 -4.372 5.395 111 2HG LYS 20 HG1 LYS 20 -16.065 -4.571 5.875 112 1HD LYS 20 HD2 LYS 20 -15.486 -5.816 3.293 113 2HD LYS 20 HD1 LYS 20 -14.512 -6.488 4.600 114 1HE LYS 20 HE2 LYS 20 -16.332 -7.355 5.698 115 2HE LYS 20 HE1 LYS 20 -17.398 -6.048 5.181 116 1HZ LYS 20 HZ1 LYS 20 -16.765 -8.557 3.866 117 2HZ LYS 20 HZ2 LYS 20 -16.855 -7.200 2.848 118 3HZ LYS 20 HZ3 LYS 20 -18.185 -7.631 3.812 119 H LEU 21 H LEU 21 -14.496 -1.968 1.903 120 HA LEU 21 HA LEU 21 -15.027 0.757 1.403 121 1HB LEU 21 HB2 LEU 21 -15.014 -1.677 -0.366 122 2HB LEU 21 HB1 LEU 21 -15.432 -0.090 -1.016 123 HG LEU 21 HG LEU 21 -13.104 0.193 0.622 124 1HD1 LEU 21 1HD1 LEU 21 -12.935 -2.293 0.095 125 2HD1 LEU 21 2HD1 LEU 21 -11.557 -1.306 -0.389 126 3HD1 LEU 21 3HD1 LEU 21 -12.737 -1.823 -1.594 127 1HD2 LEU 21 1HD2 LEU 21 -13.866 0.536 -2.259 128 2HD2 LEU 21 2HD2 LEU 21 -12.167 0.662 -1.803 129 3HD2 LEU 21 3HD2 LEU 21 -13.355 1.752 -1.089 130 H ARG 22 H ARG 22 -16.882 1.884 1.259 131 HA ARG 22 HA ARG 22 -19.434 0.482 1.614 132 1HB ARG 22 HB2 ARG 22 -18.508 2.940 2.417 133 2HB ARG 22 HB1 ARG 22 -19.530 3.370 1.046 134 1HG ARG 22 HG2 ARG 22 -21.032 1.463 2.404 135 2HG ARG 22 HG1 ARG 22 -20.303 2.421 3.694 136 1HD ARG 22 HD2 ARG 22 -21.032 4.430 2.081 137 2HD ARG 22 HD1 ARG 22 -22.242 3.248 1.584 138 HE ARG 22 HE ARG 22 -22.010 3.556 4.487 139 1HH1 ARG 22 1HH2 ARG 22 -22.688 6.263 3.333 140 2HH1 ARG 22 2HH2 ARG 22 -24.418 6.213 3.313 141 1HH2 ARG 22 1HH1 ARG 22 -24.587 2.769 3.698 142 2HH2 ARG 22 2HH1 ARG 22 -25.495 4.233 3.517 143 HA PRO 23 HA PRO 23 -20.226 2.346 -2.695 144 1HB PRO 23 HB2 PRO 23 -18.139 3.618 -3.950 145 2HB PRO 23 HB1 PRO 23 -19.285 4.443 -2.880 146 1HG PRO 23 HG2 PRO 23 -16.451 3.695 -2.365 147 2HG PRO 23 HG1 PRO 23 -17.430 4.964 -1.614 148 1HD PRO 23 HD2 PRO 23 -16.806 2.421 -0.497 149 2HD PRO 23 HD1 PRO 23 -17.964 3.603 0.146 150 H GLY 24 H GLY 24 -18.787 2.186 -5.090 151 1HA GLY 24 HA2 GLY 24 -18.052 -0.675 -5.100 152 2HA GLY 24 HA1 GLY 24 -18.323 0.328 -6.527 153 H ALA 25 H ALA 25 -16.324 1.590 -4.000 154 HA ALA 25 HA ALA 25 -14.072 1.915 -5.754 155 1HB ALA 25 HB1 ALA 25 -14.287 3.492 -4.007 156 2HB ALA 25 HB2 ALA 25 -12.909 2.503 -3.520 157 3HB ALA 25 HB3 ALA 25 -14.488 2.245 -2.782 158 H GLN 26 H GLN 26 -12.009 0.840 -5.647 159 HA GLN 26 HA GLN 26 -12.243 -2.003 -4.925 160 1HB GLN 26 HB2 GLN 26 -10.548 -0.360 -6.663 161 2HB GLN 26 HB1 GLN 26 -9.637 -1.578 -5.768 162 1HG GLN 26 HG2 GLN 26 -10.291 -2.863 -7.568 163 2HG GLN 26 HG1 GLN 26 -11.685 -3.116 -6.521 164 1HE2 GLN 26 1HE2 GLN 26 -10.550 -0.829 -9.073 165 2HE2 GLN 26 2HE2 GLN 26 -12.091 -0.581 -9.739 166 H CYS 27 H CYS 27 -10.681 0.891 -3.710 167 HA CYS 27 HA CYS 27 -9.949 -0.560 -1.261 168 1HB CYS 27 HB2 CYS 27 -7.576 0.109 -1.369 169 2HB CYS 27 HB1 CYS 27 -7.996 -0.956 -2.710 170 H GLY 28 H GLY 28 -9.585 0.869 0.493 171 1HA GLY 28 HA2 GLY 28 -10.350 3.700 -0.080 172 2HA GLY 28 HA1 GLY 28 -10.699 2.873 1.436 173 H GLU 29 H GLU 29 -7.782 1.727 0.843 174 HA GLU 29 HA GLU 29 -6.077 4.015 1.314 175 1HB GLU 29 HB2 GLU 29 -5.512 3.612 3.618 176 2HB GLU 29 HB1 GLU 29 -7.262 3.758 3.528 177 1HG GLU 29 HG2 GLU 29 -7.614 1.502 3.919 178 2HG GLU 29 HG1 GLU 29 -6.052 1.031 3.252 179 H GLY 30 H GLY 30 -3.818 3.088 2.117 180 1HA GLY 30 HA2 GLY 30 -2.698 0.716 2.110 181 2HA GLY 30 HA1 GLY 30 -3.344 0.652 0.467 182 H LEU 31 H LEU 31 -0.586 0.491 0.898 183 HA LEU 31 HA LEU 31 0.736 3.041 0.734 184 1HB LEU 31 HB2 LEU 31 1.498 0.199 0.154 185 2HB LEU 31 HB1 LEU 31 2.548 1.496 -0.418 186 HG LEU 31 HG LEU 31 1.675 1.896 2.347 187 1HD1 LEU 31 1HD1 LEU 31 1.736 -0.468 2.606 188 2HD1 LEU 31 2HD1 LEU 31 3.315 0.089 3.161 189 3HD1 LEU 31 3HD1 LEU 31 3.144 -0.625 1.556 190 1HD2 LEU 31 1HD2 LEU 31 4.479 1.535 1.278 191 2HD2 LEU 31 2HD2 LEU 31 3.944 2.535 2.627 192 3HD2 LEU 31 3HD2 LEU 31 3.562 3.010 0.973 193 H CYS 32 H CYS 32 -1.285 1.471 -1.462 194 HA CYS 32 HA CYS 32 -0.363 3.286 -3.617 195 1HB CYS 32 HB2 CYS 32 -0.931 0.399 -4.264 196 2HB CYS 32 HB1 CYS 32 -0.077 1.599 -5.235 197 H CYS 33 H CYS 33 -2.711 3.484 -2.016 198 HA CYS 33 HA CYS 33 -4.805 2.756 -4.030 199 1HB CYS 33 HB2 CYS 33 -5.153 1.540 -1.931 200 2HB CYS 33 HB1 CYS 33 -5.098 3.051 -1.024 201 H GLU 34 H GLU 34 -5.835 4.475 -4.938 202 HA GLU 34 HA GLU 34 -6.106 6.993 -3.420 203 1HB GLU 34 HB2 GLU 34 -3.897 7.135 -4.589 204 2HB GLU 34 HB1 GLU 34 -4.738 6.922 -6.126 205 1HG GLU 34 HG2 GLU 34 -5.363 9.086 -6.172 206 2HG GLU 34 HG1 GLU 34 -5.988 9.003 -4.524 207 H GLN 35 H GLN 35 -7.920 8.143 -4.056 208 HA GLN 35 HA GLN 35 -9.852 8.689 -5.254 209 1HB GLN 35 HB2 GLN 35 -9.686 8.678 -7.522 210 2HB GLN 35 HB1 GLN 35 -8.031 8.169 -7.218 211 1HG GLN 35 HG2 GLN 35 -9.259 5.752 -7.165 212 2HG GLN 35 HG1 GLN 35 -10.330 6.609 -8.272 213 1HE2 GLN 35 1HE2 GLN 35 -9.545 7.069 -10.385 214 2HE2 GLN 35 2HE2 GLN 35 -7.996 6.631 -10.920 215 H CYS 36 H CYS 36 -9.538 6.231 -3.541 216 HA CYS 36 HA CYS 36 -10.942 4.455 -2.887 217 1HB CYS 36 HB2 CYS 36 -12.620 6.325 -4.294 218 2HB CYS 36 HB1 CYS 36 -13.108 4.694 -4.698 219 H LYS 37 H LYS 37 -9.034 4.257 -5.234 220 HA LYS 37 HA LYS 37 -10.134 1.709 -6.264 221 1HB LYS 37 HB2 LYS 37 -9.965 4.149 -7.826 222 2HB LYS 37 HB1 LYS 37 -8.952 2.885 -8.524 223 1HG LYS 37 HG2 LYS 37 -11.202 1.465 -7.894 224 2HG LYS 37 HG1 LYS 37 -11.895 3.033 -8.309 225 1HD LYS 37 HD2 LYS 37 -9.806 1.807 -10.092 226 2HD LYS 37 HD1 LYS 37 -11.484 1.275 -10.211 227 1HE LYS 37 HE2 LYS 37 -11.066 4.210 -10.124 228 2HE LYS 37 HE1 LYS 37 -10.503 3.396 -11.584 229 1HZ LYS 37 HZ1 LYS 37 -13.098 4.095 -10.963 230 2HZ LYS 37 HZ2 LYS 37 -13.039 2.404 -10.803 231 3HZ LYS 37 HZ3 LYS 37 -12.580 3.138 -12.264 232 H PHE 38 H PHE 38 -8.382 0.542 -7.565 233 HA PHE 38 HA PHE 38 -5.967 0.438 -6.000 234 1HB PHE 38 HB2 PHE 38 -6.965 -0.858 -8.505 235 2HB PHE 38 HB1 PHE 38 -5.241 -0.949 -8.152 236 HD1 PHE 38 HD2 PHE 38 -7.592 -0.675 -5.368 237 HD2 PHE 38 HD1 PHE 38 -5.430 -3.413 -7.874 238 HE1 PHE 38 HE2 PHE 38 -8.014 -2.500 -3.742 239 HE2 PHE 38 HE1 PHE 38 -5.851 -5.237 -6.246 240 HZ PHE 38 HZ PHE 38 -7.143 -4.780 -4.180 241 H SER 39 H SER 39 -4.247 1.804 -6.165 242 HA SER 39 HA SER 39 -4.022 3.919 -8.006 243 1HB SER 39 HB2 SER 39 -1.669 4.059 -7.339 244 2HB SER 39 HB1 SER 39 -2.660 3.704 -5.929 245 HG SER 39 HG SER 39 -2.156 1.396 -6.617 246 H ARG 40 H ARG 40 -1.805 3.917 -9.485 247 HA ARG 40 HA ARG 40 -2.213 1.606 -11.334 248 1HB ARG 40 HB2 ARG 40 -2.475 4.226 -11.931 249 2HB ARG 40 HB1 ARG 40 -0.750 4.033 -12.247 250 1HG ARG 40 HG2 ARG 40 -1.141 2.302 -13.850 251 2HG ARG 40 HG1 ARG 40 -2.831 2.145 -13.369 252 1HD ARG 40 HD2 ARG 40 -1.963 4.843 -14.263 253 2HD ARG 40 HD1 ARG 40 -2.052 3.598 -15.509 254 HE ARG 40 HE ARG 40 -4.345 4.587 -13.894 255 1HH1 ARG 40 1HH2 ARG 40 -3.250 1.943 -15.715 256 2HH1 ARG 40 2HH2 ARG 40 -4.661 1.842 -16.715 257 1HH2 ARG 40 1HH1 ARG 40 -6.082 4.746 -15.458 258 2HH2 ARG 40 2HH1 ARG 40 -6.262 3.431 -16.572 259 H ALA 41 H ALA 41 -0.341 0.558 -12.204 260 HA ALA 41 HA ALA 41 1.802 0.055 -10.490 261 1HB ALA 41 HB1 ALA 41 1.874 -1.446 -12.219 262 2HB ALA 41 HB2 ALA 41 3.025 -0.290 -12.890 263 3HB ALA 41 HB3 ALA 41 1.339 -0.258 -13.407 264 H GLY 42 H GLY 42 4.177 0.678 -10.940 265 1HA GLY 42 HA2 GLY 42 5.812 2.366 -11.133 266 2HA GLY 42 HA1 GLY 42 4.694 3.240 -12.184 267 H LYS 43 H LYS 43 3.568 2.178 -9.084 268 HA LYS 43 HA LYS 43 3.365 5.025 -8.243 269 1HB LYS 43 HB2 LYS 43 1.275 3.878 -8.108 270 2HB LYS 43 HB1 LYS 43 2.010 2.485 -7.318 271 1HG LYS 43 HG2 LYS 43 0.857 3.793 -5.632 272 2HG LYS 43 HG1 LYS 43 2.593 3.971 -5.378 273 1HD LYS 43 HD2 LYS 43 2.133 6.021 -7.109 274 2HD LYS 43 HD1 LYS 43 0.599 5.979 -6.239 275 1HE LYS 43 HE2 LYS 43 1.938 5.961 -4.086 276 2HE LYS 43 HE1 LYS 43 3.372 6.285 -5.061 277 1HZ LYS 43 HZ1 LYS 43 1.951 8.223 -4.050 278 2HZ LYS 43 HZ2 LYS 43 1.017 7.983 -5.449 279 3HZ LYS 43 HZ3 LYS 43 2.666 8.371 -5.580 280 H ILE 44 H ILE 44 4.813 5.804 -6.806 281 HA ILE 44 HA ILE 44 6.756 4.085 -5.531 282 HB ILE 44 HB ILE 44 6.197 6.993 -5.687 283 1HG1 ILE 44 2HG1 ILE 44 7.910 5.748 -7.016 284 2HG1 ILE 44 1HG1 ILE 44 8.606 7.053 -6.052 285 1HG2 ILE 44 1HG2 ILE 44 6.201 6.724 -3.236 286 2HG2 ILE 44 2HG2 ILE 44 7.680 7.524 -3.770 287 3HG2 ILE 44 3HG2 ILE 44 7.712 5.817 -3.331 288 1HD1 ILE 44 1HD1 ILE 44 9.987 5.534 -5.124 289 2HD1 ILE 44 2HD1 ILE 44 9.135 4.207 -5.914 290 3HD1 ILE 44 3HD1 ILE 44 8.575 4.810 -4.355 291 H CYS 45 H CYS 45 6.424 2.916 -3.727 292 HA CYS 45 HA CYS 45 4.269 3.797 -1.854 293 1HB CYS 45 HB2 CYS 45 4.351 1.341 -1.124 294 2HB CYS 45 HB1 CYS 45 3.681 1.665 -2.719 295 H ARG 46 H ARG 46 7.638 3.188 -2.204 296 HA ARG 46 HA ARG 46 8.113 4.061 0.550 297 1HB ARG 46 HB2 ARG 46 7.749 1.582 0.755 298 2HB ARG 46 HB1 ARG 46 9.116 1.337 -0.332 299 1HG ARG 46 HG2 ARG 46 10.463 2.789 1.310 300 2HG ARG 46 HG1 ARG 46 9.126 2.548 2.433 301 1HD ARG 46 HD2 ARG 46 9.766 0.008 1.315 302 2HD ARG 46 HD1 ARG 46 11.278 0.757 1.828 303 HE ARG 46 HE ARG 46 8.960 0.593 3.706 304 1HH1 ARG 46 1HH2 ARG 46 11.245 -1.572 3.032 305 2HH1 ARG 46 2HH2 ARG 46 12.158 -1.427 4.496 306 1HH2 ARG 46 1HH1 ARG 46 10.565 1.476 5.518 307 2HH2 ARG 46 2HH1 ARG 46 11.774 0.298 5.902 308 H ILE 47 H ILE 47 10.115 5.081 0.680 309 HA ILE 47 HA ILE 47 11.896 4.775 -1.701 310 HB ILE 47 HB ILE 47 10.574 6.942 -1.624 311 1HG1 ILE 47 2HG1 ILE 47 13.017 8.231 -1.610 312 2HG1 ILE 47 1HG1 ILE 47 13.474 6.554 -1.919 313 1HG2 ILE 47 1HG2 ILE 47 11.053 7.003 0.995 314 2HG2 ILE 47 2HG2 ILE 47 10.886 8.494 0.066 315 3HG2 ILE 47 3HG2 ILE 47 12.490 7.882 0.472 316 1HD1 ILE 47 1HD1 ILE 47 13.054 7.444 -4.072 317 2HD1 ILE 47 2HD1 ILE 47 11.623 8.316 -3.525 318 3HD1 ILE 47 3HD1 ILE 47 11.580 6.560 -3.676 319 HA PRO 48 HA PRO 48 14.502 3.871 1.885 320 1HB PRO 48 HB2 PRO 48 16.080 2.082 0.528 321 2HB PRO 48 HB1 PRO 48 14.547 1.641 1.291 322 1HG PRO 48 HG2 PRO 48 15.158 2.012 -1.605 323 2HG PRO 48 HG1 PRO 48 13.915 1.009 -0.840 324 1HD PRO 48 HD2 PRO 48 13.493 3.532 -2.054 325 2HD PRO 48 HD1 PRO 48 12.345 2.671 -1.005 326 H ARG 49 H ARG 49 16.499 4.864 2.312 327 HA ARG 49 HA ARG 49 17.695 6.400 0.065 328 1HB ARG 49 HB2 ARG 49 18.509 6.762 2.931 329 2HB ARG 49 HB1 ARG 49 18.431 7.955 1.635 330 1HG ARG 49 HG2 ARG 49 15.943 6.629 2.729 331 2HG ARG 49 HG1 ARG 49 16.608 8.099 3.441 332 1HD ARG 49 HD2 ARG 49 16.524 8.418 0.592 333 2HD ARG 49 HD1 ARG 49 14.939 7.881 1.151 334 HE ARG 49 HE ARG 49 15.669 9.897 2.930 335 1HH1 ARG 49 1HH2 ARG 49 13.630 9.697 0.464 336 2HH1 ARG 49 2HH2 ARG 49 13.906 11.266 -0.216 337 1HH2 ARG 49 1HH1 ARG 49 16.760 11.869 1.658 338 2HH2 ARG 49 2HH1 ARG 49 15.679 12.494 0.458 339 H GLY 50 H GLY 50 19.964 6.325 -0.319 340 1HA GLY 50 HA2 GLY 50 22.175 5.431 0.600 341 2HA GLY 50 HA1 GLY 50 21.303 3.919 0.852 342 H GLU 51 H GLU 51 22.520 2.676 -0.613 343 HA GLU 51 HA GLU 51 22.660 3.621 -3.427 344 1HB GLU 51 HB2 GLU 51 24.103 1.556 -1.804 345 2HB GLU 51 HB1 GLU 51 23.996 1.329 -3.551 346 1HG GLU 51 HG2 GLU 51 25.847 2.659 -3.594 347 2HG GLU 51 HG1 GLU 51 24.679 3.968 -3.417 348 H MET 52 H MET 52 20.263 2.395 -1.832 349 HA MET 52 HA MET 52 19.733 0.034 -3.547 350 1HB MET 52 HB2 MET 52 18.054 -0.561 -2.019 351 2HB MET 52 HB1 MET 52 19.257 0.199 -0.987 352 1HG MET 52 HG2 MET 52 17.008 1.830 -2.167 353 2HG MET 52 HG1 MET 52 16.773 0.895 -0.697 354 1HE MET 52 HE1 MET 52 17.400 3.918 -2.200 355 2HE MET 52 HE2 MET 52 19.153 3.798 -2.312 356 3HE MET 52 HE3 MET 52 18.426 4.940 -1.185 357 HA PRO 53 HA PRO 53 17.070 2.224 -6.257 358 1HB PRO 53 HB2 PRO 53 15.282 0.235 -6.895 359 2HB PRO 53 HB1 PRO 53 16.942 0.295 -7.510 360 1HG PRO 53 HG2 PRO 53 15.781 -1.480 -5.417 361 2HG PRO 53 HG1 PRO 53 17.176 -1.755 -6.474 362 1HD PRO 53 HD2 PRO 53 17.274 -0.987 -3.749 363 2HD PRO 53 HD1 PRO 53 18.634 -0.967 -4.891 364 H ASP 54 H ASP 54 14.321 1.921 -6.668 365 HA ASP 54 HA ASP 54 13.214 2.764 -4.019 366 1HB ASP 54 HB2 ASP 54 12.261 3.568 -6.783 367 2HB ASP 54 HB1 ASP 54 11.686 4.209 -5.243 368 H ASP 55 H ASP 55 10.562 2.650 -4.424 369 HA ASP 55 HA ASP 55 10.046 -0.152 -5.336 370 1HB ASP 55 HB2 ASP 55 10.041 0.270 -2.795 371 2HB ASP 55 HB1 ASP 55 8.560 1.189 -3.074 372 H ARG 56 H ARG 56 8.357 -0.367 -6.739 373 HA ARG 56 HA ARG 56 6.475 1.939 -7.031 374 1HB ARG 56 HB2 ARG 56 7.667 0.266 -9.260 375 2HB ARG 56 HB1 ARG 56 6.485 1.557 -9.461 376 1HG ARG 56 HG2 ARG 56 8.608 2.620 -7.901 377 2HG ARG 56 HG1 ARG 56 9.343 1.772 -9.261 378 1HD ARG 56 HD2 ARG 56 8.024 3.034 -10.847 379 2HD ARG 56 HD1 ARG 56 7.081 3.767 -9.550 380 HE ARG 56 HE ARG 56 9.837 4.372 -9.124 381 1HH1 ARG 56 1HH1 ARG 56 9.218 4.707 -12.169 382 2HH1 ARG 56 2HH1 ARG 56 8.901 6.408 -12.219 383 1HH2 ARG 56 1HH2 ARG 56 8.568 6.718 -8.782 384 2HH2 ARG 56 2HH2 ARG 56 8.534 7.547 -10.303 385 H CYS 57 H CYS 57 4.403 1.303 -6.745 386 HA CYS 57 HA CYS 57 3.701 -1.455 -6.340 387 1HB CYS 57 HB2 CYS 57 1.692 0.670 -7.072 388 2HB CYS 57 HB1 CYS 57 1.502 -0.695 -5.973 389 H THR 58 H THR 58 2.107 -2.656 -7.676 390 HA THR 58 HA THR 58 2.767 -2.366 -10.539 391 HB THR 58 HB THR 58 2.127 -4.593 -10.784 392 HG1 THR 58 HG1 THR 58 0.022 -4.352 -10.022 393 1HG2 THR 58 1HG2 THR 58 2.549 -5.005 -7.895 394 2HG2 THR 58 2HG2 THR 58 3.769 -3.997 -8.676 395 3HG2 THR 58 3HG2 THR 58 3.463 -5.629 -9.269 396 H GLY 59 H GLY 59 0.612 -0.879 -8.681 397 1HA GLY 59 HA2 GLY 59 -1.322 0.335 -9.323 398 2HA GLY 59 HA1 GLY 59 -1.227 -0.437 -10.906 399 H GLN 60 H GLN 60 -1.455 -3.068 -10.439 400 HA GLN 60 HA GLN 60 -4.233 -3.378 -9.708 401 1HB GLN 60 HB2 GLN 60 -2.016 -5.194 -10.569 402 2HB GLN 60 HB1 GLN 60 -3.428 -5.917 -9.797 403 1HG GLN 60 HG2 GLN 60 -3.949 -3.891 -11.916 404 2HG GLN 60 HG1 GLN 60 -3.324 -5.453 -12.445 405 1HE2 GLN 60 1HE2 GLN 60 -5.977 -4.704 -13.120 406 2HE2 GLN 60 2HE2 GLN 60 -7.063 -5.683 -12.257 407 H SER 61 H SER 61 -1.464 -3.084 -7.824 408 HA SER 61 HA SER 61 -2.737 -4.656 -5.610 409 1HB SER 61 HB2 SER 61 0.089 -4.280 -6.448 410 2HB SER 61 HB1 SER 61 -0.217 -4.285 -4.713 411 HG SER 61 HG SER 61 -1.431 -6.232 -6.320 412 H ALA 62 H ALA 62 -3.550 -3.426 -3.976 413 HA ALA 62 HA ALA 62 -3.086 -0.543 -3.930 414 1HB ALA 62 HB1 ALA 62 -4.475 -2.261 -1.848 415 2HB ALA 62 HB2 ALA 62 -5.274 -1.607 -3.277 416 3HB ALA 62 HB3 ALA 62 -4.629 -0.516 -2.052 417 H ASP 63 H ASP 63 -1.928 -3.353 -2.158 418 HA ASP 63 HA ASP 63 -0.523 -1.683 -0.181 419 1HB ASP 63 HB2 ASP 63 -0.805 -4.644 -0.654 420 2HB ASP 63 HB1 ASP 63 0.432 -4.028 0.440 421 H CYS 64 H CYS 64 1.918 -2.414 0.147 422 HA CYS 64 HA CYS 64 3.203 -2.467 -2.551 423 1HB CYS 64 HB2 CYS 64 3.463 -0.254 -1.599 424 2HB CYS 64 HB1 CYS 64 4.046 -0.928 -0.081 425 HA PRO 65 HA PRO 65 5.025 -6.073 -0.748 426 1HB PRO 65 HB2 PRO 65 6.048 -6.940 -3.134 427 2HB PRO 65 HB1 PRO 65 4.371 -7.197 -2.650 428 1HG PRO 65 HG2 PRO 65 5.487 -5.351 -4.685 429 2HG PRO 65 HG1 PRO 65 3.843 -5.993 -4.536 430 1HD PRO 65 HD2 PRO 65 4.736 -3.392 -3.782 431 2HD PRO 65 HD1 PRO 65 3.141 -4.103 -3.463 432 H ARG 66 H ARG 66 7.370 -7.063 -1.081 433 HA ARG 66 HA ARG 66 9.274 -4.804 -0.829 434 1HB ARG 66 HB2 ARG 66 9.797 -7.751 -0.354 435 2HB ARG 66 HB1 ARG 66 10.769 -6.388 0.202 436 1HG ARG 66 HG2 ARG 66 7.898 -6.890 1.035 437 2HG ARG 66 HG1 ARG 66 9.307 -7.341 1.995 438 1HD ARG 66 HD2 ARG 66 10.015 -4.872 1.794 439 2HD ARG 66 HD1 ARG 66 8.365 -4.571 1.251 440 HE ARG 66 HE ARG 66 7.690 -5.684 3.485 441 1HH1 ARG 66 1HH2 ARG 66 8.456 -2.836 3.833 442 2HH1 ARG 66 2HH2 ARG 66 9.644 -2.915 5.090 443 1HH2 ARG 66 1HH1 ARG 66 10.178 -6.324 4.732 444 2HH2 ARG 66 2HH1 ARG 66 10.618 -4.892 5.602 445 H TYR 67 H TYR 67 11.330 -4.882 -1.996 446 HA TYR 67 HA TYR 67 10.967 -5.869 -4.742 447 1HB TYR 67 HB2 TYR 67 12.942 -4.593 -5.266 448 2HB TYR 67 HB1 TYR 67 11.964 -3.610 -4.177 449 HD1 TYR 67 HD2 TYR 67 15.004 -5.670 -4.487 450 HD2 TYR 67 HD1 TYR 67 12.646 -3.212 -1.872 451 HE1 TYR 67 HE2 TYR 67 16.891 -5.570 -2.880 452 HE2 TYR 67 HE1 TYR 67 14.531 -3.114 -0.263 453 HH TYR 67 HH TYR 67 16.834 -3.441 -0.112 454 H HIS 68 H HIS 68 12.633 -6.819 -1.843 455 HA HIS 68 HA HIS 68 14.598 -8.513 -3.155 456 1HB HIS 68 HB2 HIS 68 14.264 -7.556 -0.589 457 2HB HIS 68 HB1 HIS 68 13.822 -9.254 -0.416 458 HD1 HIS 68 HD1 HIS 68 15.690 -10.758 -2.124 459 HD2 HIS 68 HD2 HIS 68 16.960 -7.372 -0.050 460 HE1 HIS 68 HE1 HIS 68 18.208 -10.940 -1.928 Start of MODEL 12 1 1H GLY 1 HT1 GLY 1 -8.930 -7.210 9.136 2 2H GLY 1 HT2 GLY 1 -8.022 -5.777 9.230 3 3H GLY 1 HT3 GLY 1 -7.430 -7.210 9.927 4 1HA GLY 1 HA1 GLY 1 -6.701 -6.316 7.519 5 2HA GLY 1 HA2 GLY 1 -6.650 -8.011 8.001 6 H LYS 2 H LYS 2 -8.678 -9.284 7.570 7 HA LYS 2 HA LYS 2 -9.702 -8.601 4.896 8 1HB LYS 2 HB2 LYS 2 -10.742 -10.835 4.980 9 2HB LYS 2 HB1 LYS 2 -9.034 -10.926 5.413 10 1HG LYS 2 HG2 LYS 2 -9.476 -11.366 7.638 11 2HG LYS 2 HG1 LYS 2 -11.011 -10.498 7.613 12 1HD LYS 2 HD2 LYS 2 -10.462 -13.200 6.350 13 2HD LYS 2 HD1 LYS 2 -11.434 -12.901 7.791 14 1HE LYS 2 HE2 LYS 2 -12.563 -11.189 5.937 15 2HE LYS 2 HE1 LYS 2 -12.152 -12.600 4.961 16 1HZ LYS 2 HZ1 LYS 2 -13.232 -13.467 7.400 17 2HZ LYS 2 HZ2 LYS 2 -13.857 -13.675 5.834 18 3HZ LYS 2 HZ3 LYS 2 -14.277 -12.303 6.745 19 H GLU 3 H GLU 3 -10.632 -7.996 8.085 20 HA GLU 3 HA GLU 3 -13.528 -7.934 7.402 21 1HB GLU 3 HB2 GLU 3 -12.110 -7.503 10.052 22 2HB GLU 3 HB1 GLU 3 -13.859 -7.528 9.822 23 1HG GLU 3 HG2 GLU 3 -12.813 -9.878 8.599 24 2HG GLU 3 HG1 GLU 3 -12.087 -9.751 10.202 25 H CYS 4 H CYS 4 -10.804 -5.902 7.524 26 HA CYS 4 HA CYS 4 -12.611 -3.539 7.354 27 1HB CYS 4 HB2 CYS 4 -11.579 -3.631 9.628 28 2HB CYS 4 HB1 CYS 4 -9.986 -3.582 8.873 29 H ASP 5 H ASP 5 -12.042 -2.111 5.735 30 HA ASP 5 HA ASP 5 -9.571 -2.791 4.194 31 1HB ASP 5 HB2 ASP 5 -12.300 -2.373 3.392 32 2HB ASP 5 HB1 ASP 5 -11.288 -1.126 2.662 33 H CYS 6 H CYS 6 -11.028 -0.434 6.167 34 HA CYS 6 HA CYS 6 -8.972 1.546 5.290 35 1HB CYS 6 HB2 CYS 6 -10.516 3.339 5.384 36 2HB CYS 6 HB1 CYS 6 -11.396 2.060 4.557 37 H SER 7 H SER 7 -7.760 2.321 6.982 38 HA SER 7 HA SER 7 -8.208 1.236 9.641 39 1HB SER 7 HB2 SER 7 -6.052 2.435 8.231 40 2HB SER 7 HB1 SER 7 -6.334 3.412 9.669 41 HG SER 7 HG SER 7 -6.309 0.601 9.825 42 H SER 8 H SER 8 -9.736 3.701 8.072 43 HA SER 8 HA SER 8 -10.021 5.326 10.563 44 1HB SER 8 HB2 SER 8 -9.949 5.993 7.697 45 2HB SER 8 HB1 SER 8 -11.254 6.778 8.581 46 HG SER 8 HG SER 8 -8.739 6.716 9.777 47 HA PRO 9 HA PRO 9 -14.065 3.404 10.624 48 1HB PRO 9 HB2 PRO 9 -14.786 4.444 13.063 49 2HB PRO 9 HB1 PRO 9 -13.740 3.027 12.874 50 1HG PRO 9 HG2 PRO 9 -13.005 5.812 13.643 51 2HG PRO 9 HG1 PRO 9 -12.192 4.288 14.036 52 1HD PRO 9 HD2 PRO 9 -11.380 6.132 12.048 53 2HD PRO 9 HD1 PRO 9 -10.794 4.465 12.228 54 H GLU 10 H GLU 10 -13.262 6.550 10.036 55 HA GLU 10 HA GLU 10 -16.127 7.413 10.024 56 1HB GLU 10 HB2 GLU 10 -15.448 9.655 10.441 57 2HB GLU 10 HB1 GLU 10 -14.501 8.675 11.563 58 1HG GLU 10 HG2 GLU 10 -12.760 9.878 10.688 59 2HG GLU 10 HG1 GLU 10 -12.842 8.651 9.424 60 H ASN 11 H ASN 11 -13.423 6.636 8.134 61 HA ASN 11 HA ASN 11 -13.614 8.432 5.958 62 1HB ASN 11 HB2 ASN 11 -12.166 6.130 6.517 63 2HB ASN 11 HB1 ASN 11 -13.154 5.659 5.135 64 1HD2 ASN 11 1HD2 ASN 11 -10.708 5.704 4.261 65 2HD2 ASN 11 2HD2 ASN 11 -10.246 7.162 3.526 66 HA PRO 12 HA PRO 12 -17.619 7.306 4.407 67 1HB PRO 12 HB2 PRO 12 -17.503 8.862 2.145 68 2HB PRO 12 HB1 PRO 12 -17.831 9.513 3.760 69 1HG PRO 12 HG2 PRO 12 -15.338 9.697 2.135 70 2HG PRO 12 HG1 PRO 12 -15.938 10.786 3.396 71 1HD PRO 12 HD2 PRO 12 -13.901 8.840 3.709 72 2HD PRO 12 HD1 PRO 12 -14.728 9.711 5.019 73 H CYS 13 H CYS 13 -14.595 6.745 2.870 74 HA CYS 13 HA CYS 13 -15.713 5.371 0.530 75 1HB CYS 13 HB2 CYS 13 -13.023 6.121 1.527 76 2HB CYS 13 HB1 CYS 13 -13.094 4.645 0.564 77 H CYS 14 H CYS 14 -15.626 4.562 3.704 78 HA CYS 14 HA CYS 14 -15.678 1.684 3.037 79 1HB CYS 14 HB2 CYS 14 -14.118 1.071 4.788 80 2HB CYS 14 HB1 CYS 14 -13.329 2.223 3.712 81 H ASP 15 H ASP 15 -17.368 0.753 4.044 82 HA ASP 15 HA ASP 15 -19.112 2.198 5.783 83 1HB ASP 15 HB2 ASP 15 -19.461 -0.008 4.347 84 2HB ASP 15 HB1 ASP 15 -19.004 -0.798 5.856 85 H ALA 16 H ALA 16 -18.810 2.667 7.910 86 HA ALA 16 HA ALA 16 -16.562 1.605 9.387 87 1HB ALA 16 HB1 ALA 16 -18.012 2.734 11.333 88 2HB ALA 16 HB2 ALA 16 -18.829 3.465 9.952 89 3HB ALA 16 HB3 ALA 16 -17.096 3.705 10.181 90 H ALA 17 H ALA 17 -20.033 0.908 9.311 91 HA ALA 17 HA ALA 17 -20.279 -0.699 11.599 92 1HB ALA 17 HB1 ALA 17 -21.969 -0.054 9.612 93 2HB ALA 17 HB2 ALA 17 -22.273 -1.410 10.698 94 3HB ALA 17 HB3 ALA 17 -21.571 -1.695 9.106 95 H THR 18 H THR 18 -18.902 -1.507 8.439 96 HA THR 18 HA THR 18 -18.121 -4.171 9.553 97 HB THR 18 HB THR 18 -18.214 -5.063 7.391 98 HG1 THR 18 HG1 THR 18 -18.140 -3.708 5.547 99 1HG2 THR 18 1HG2 THR 18 -20.455 -4.201 8.236 100 2HG2 THR 18 2HG2 THR 18 -20.348 -4.456 6.495 101 3HG2 THR 18 3HG2 THR 18 -20.232 -2.825 7.156 102 H CYS 19 H CYS 19 -16.980 -1.116 8.485 103 HA CYS 19 HA CYS 19 -14.785 -0.252 8.582 104 1HB CYS 19 HB2 CYS 19 -14.598 -2.263 10.325 105 2HB CYS 19 HB1 CYS 19 -13.611 -2.965 9.042 106 H LYS 20 H LYS 20 -16.129 -1.963 6.301 107 HA LYS 20 HA LYS 20 -13.624 -2.349 4.712 108 1HB LYS 20 HB2 LYS 20 -16.380 -3.541 4.284 109 2HB LYS 20 HB1 LYS 20 -14.968 -3.841 3.270 110 1HG LYS 20 HG2 LYS 20 -13.893 -4.448 5.660 111 2HG LYS 20 HG1 LYS 20 -15.577 -4.842 6.010 112 1HD LYS 20 HD2 LYS 20 -14.985 -5.875 3.424 113 2HD LYS 20 HD1 LYS 20 -13.677 -6.365 4.501 114 1HE LYS 20 HE2 LYS 20 -15.224 -7.371 6.049 115 2HE LYS 20 HE1 LYS 20 -16.607 -6.691 5.192 116 1HZ LYS 20 HZ1 LYS 20 -16.624 -8.437 3.856 117 2HZ LYS 20 HZ2 LYS 20 -15.346 -9.128 4.736 118 3HZ LYS 20 HZ3 LYS 20 -15.020 -8.149 3.387 119 H LEU 21 H LEU 21 -14.407 -2.150 2.176 120 HA LEU 21 HA LEU 21 -14.868 0.664 1.809 121 1HB LEU 21 HB2 LEU 21 -14.615 -1.703 -0.001 122 2HB LEU 21 HB1 LEU 21 -15.250 -0.194 -0.660 123 HG LEU 21 HG LEU 21 -12.853 0.087 1.047 124 1HD1 LEU 21 1HD1 LEU 21 -12.824 -1.997 -0.781 125 2HD1 LEU 21 2HD1 LEU 21 -11.408 -1.166 -0.138 126 3HD1 LEU 21 3HD1 LEU 21 -12.104 -0.659 -1.676 127 1HD2 LEU 21 1HD2 LEU 21 -14.248 1.467 -1.062 128 2HD2 LEU 21 2HD2 LEU 21 -12.560 1.240 -1.521 129 3HD2 LEU 21 3HD2 LEU 21 -12.960 2.066 -0.015 130 H ARG 22 H ARG 22 -16.763 1.760 1.513 131 HA ARG 22 HA ARG 22 -19.272 0.232 1.747 132 1HB ARG 22 HB2 ARG 22 -18.472 2.659 2.757 133 2HB ARG 22 HB1 ARG 22 -19.478 3.143 1.391 134 1HG ARG 22 HG2 ARG 22 -21.111 1.294 2.348 135 2HG ARG 22 HG1 ARG 22 -20.237 1.611 3.846 136 1HD ARG 22 HD2 ARG 22 -20.671 4.115 3.320 137 2HD ARG 22 HD1 ARG 22 -21.899 3.513 2.206 138 HE ARG 22 HE ARG 22 -22.297 2.229 4.708 139 1HH1 ARG 22 1HH1 ARG 22 -21.566 5.367 4.895 140 2HH1 ARG 22 2HH1 ARG 22 -23.156 5.963 5.236 141 1HH2 ARG 22 1HH2 ARG 22 -24.734 2.981 4.441 142 2HH2 ARG 22 2HH2 ARG 22 -24.948 4.614 4.977 143 HA PRO 23 HA PRO 23 -20.023 2.394 -2.427 144 1HB PRO 23 HB2 PRO 23 -17.972 3.868 -3.508 145 2HB PRO 23 HB1 PRO 23 -19.187 4.540 -2.408 146 1HG PRO 23 HG2 PRO 23 -16.334 3.905 -1.875 147 2HG PRO 23 HG1 PRO 23 -17.405 5.041 -1.039 148 1HD PRO 23 HD2 PRO 23 -16.657 2.434 -0.158 149 2HD PRO 23 HD1 PRO 23 -17.876 3.495 0.580 150 H GLY 24 H GLY 24 -18.582 2.491 -4.790 151 1HA GLY 24 HA2 GLY 24 -17.689 -0.307 -5.034 152 2HA GLY 24 HA1 GLY 24 -17.971 0.810 -6.370 153 H ALA 25 H ALA 25 -16.117 2.095 -3.789 154 HA ALA 25 HA ALA 25 -13.814 2.492 -5.470 155 1HB ALA 25 HB1 ALA 25 -13.321 3.973 -3.848 156 2HB ALA 25 HB2 ALA 25 -13.132 2.666 -2.679 157 3HB ALA 25 HB3 ALA 25 -14.716 3.398 -2.935 158 H GLN 26 H GLN 26 -12.002 1.223 -5.711 159 HA GLN 26 HA GLN 26 -12.071 -1.500 -4.739 160 1HB GLN 26 HB2 GLN 26 -10.396 0.120 -6.522 161 2HB GLN 26 HB1 GLN 26 -9.476 -1.065 -5.596 162 1HG GLN 26 HG2 GLN 26 -10.118 -2.435 -7.327 163 2HG GLN 26 HG1 GLN 26 -11.552 -2.613 -6.315 164 1HE2 GLN 26 1HE2 GLN 26 -11.139 -2.549 -9.396 165 2HE2 GLN 26 2HE2 GLN 26 -12.294 -1.422 -9.926 166 H CYS 27 H CYS 27 -11.153 1.384 -3.276 167 HA CYS 27 HA CYS 27 -10.158 0.029 -0.931 168 1HB CYS 27 HB2 CYS 27 -7.853 0.872 -0.968 169 2HB CYS 27 HB1 CYS 27 -8.138 -0.152 -2.374 170 H GLY 28 H GLY 28 -9.790 1.556 0.822 171 1HA GLY 28 HA2 GLY 28 -11.128 4.159 0.312 172 2HA GLY 28 HA1 GLY 28 -10.918 3.412 1.896 173 H GLU 29 H GLU 29 -8.094 2.725 1.259 174 HA GLU 29 HA GLU 29 -6.685 5.197 0.739 175 1HB GLU 29 HB2 GLU 29 -5.905 5.668 2.969 176 2HB GLU 29 HB1 GLU 29 -7.663 5.590 3.029 177 1HG GLU 29 HG2 GLU 29 -7.594 3.889 4.493 178 2HG GLU 29 HG1 GLU 29 -6.547 2.956 3.424 179 H GLY 30 H GLY 30 -4.257 4.853 1.470 180 1HA GLY 30 HA2 GLY 30 -2.992 2.545 2.145 181 2HA GLY 30 HA1 GLY 30 -3.506 2.180 0.499 182 H LEU 31 H LEU 31 -0.843 2.175 0.815 183 HA LEU 31 HA LEU 31 0.396 4.775 0.512 184 1HB LEU 31 HB2 LEU 31 1.365 1.961 -0.054 185 2HB LEU 31 HB1 LEU 31 2.377 3.387 -0.283 186 HG LEU 31 HG LEU 31 1.148 2.395 2.294 187 1HD1 LEU 31 1HD1 LEU 31 4.007 2.999 1.488 188 2HD1 LEU 31 2HD1 LEU 31 3.299 1.386 1.575 189 3HD1 LEU 31 3HD1 LEU 31 3.483 2.349 3.040 190 1HD2 LEU 31 1HD2 LEU 31 2.422 5.056 1.616 191 2HD2 LEU 31 2HD2 LEU 31 2.303 4.452 3.269 192 3HD2 LEU 31 3HD2 LEU 31 0.839 4.770 2.340 193 H CYS 32 H CYS 32 -1.071 2.482 -1.674 194 HA CYS 32 HA CYS 32 -0.428 4.350 -3.914 195 1HB CYS 32 HB2 CYS 32 -0.359 1.320 -3.959 196 2HB CYS 32 HB1 CYS 32 -0.293 2.331 -5.402 197 H CYS 33 H CYS 33 -2.698 4.969 -2.938 198 HA CYS 33 HA CYS 33 -4.709 3.695 -4.708 199 1HB CYS 33 HB2 CYS 33 -4.633 3.415 -1.811 200 2HB CYS 33 HB1 CYS 33 -6.118 4.208 -2.339 201 H GLU 34 H GLU 34 -5.584 5.356 -5.838 202 HA GLU 34 HA GLU 34 -5.831 8.000 -4.457 203 1HB GLU 34 HB2 GLU 34 -5.549 7.523 -7.439 204 2HB GLU 34 HB1 GLU 34 -5.508 9.075 -6.602 205 1HG GLU 34 HG2 GLU 34 -3.494 8.192 -5.318 206 2HG GLU 34 HG1 GLU 34 -3.469 6.844 -6.456 207 H GLN 35 H GLN 35 -7.852 8.911 -4.432 208 HA GLN 35 HA GLN 35 -10.157 9.140 -4.803 209 1HB GLN 35 HB2 GLN 35 -9.805 7.425 -7.265 210 2HB GLN 35 HB1 GLN 35 -10.998 8.693 -6.978 211 1HG GLN 35 HG2 GLN 35 -8.691 10.101 -6.649 212 2HG GLN 35 HG1 GLN 35 -8.180 8.919 -7.854 213 1HE2 GLN 35 1HE2 GLN 35 -9.224 11.981 -7.793 214 2HE2 GLN 35 2HE2 GLN 35 -10.194 12.023 -9.186 215 H CYS 36 H CYS 36 -8.978 6.852 -3.330 216 HA CYS 36 HA CYS 36 -9.759 4.899 -2.290 217 1HB CYS 36 HB2 CYS 36 -12.359 5.779 -3.584 218 2HB CYS 36 HB1 CYS 36 -12.218 4.506 -2.371 219 H LYS 37 H LYS 37 -8.680 4.876 -5.056 220 HA LYS 37 HA LYS 37 -9.896 2.288 -5.921 221 1HB LYS 37 HB2 LYS 37 -9.360 4.765 -7.476 222 2HB LYS 37 HB1 LYS 37 -8.926 3.245 -8.261 223 1HG LYS 37 HG2 LYS 37 -11.512 3.034 -6.960 224 2HG LYS 37 HG1 LYS 37 -11.492 4.376 -8.103 225 1HD LYS 37 HD2 LYS 37 -10.193 2.466 -9.550 226 2HD LYS 37 HD1 LYS 37 -11.304 1.469 -8.610 227 1HE LYS 37 HE2 LYS 37 -12.680 3.814 -9.580 228 2HE LYS 37 HE1 LYS 37 -11.905 2.975 -10.924 229 1HZ LYS 37 HZ1 LYS 37 -13.723 1.764 -8.912 230 2HZ LYS 37 HZ2 LYS 37 -12.925 0.909 -10.145 231 3HZ LYS 37 HZ3 LYS 37 -14.093 2.079 -10.538 232 H PHE 38 H PHE 38 -8.329 0.879 -7.065 233 HA PHE 38 HA PHE 38 -5.773 0.842 -5.738 234 1HB PHE 38 HB2 PHE 38 -6.828 -0.679 -8.139 235 2HB PHE 38 HB1 PHE 38 -5.250 -0.984 -7.413 236 HD1 PHE 38 HD1 PHE 38 -5.899 -0.568 -4.524 237 HD2 PHE 38 HD2 PHE 38 -8.047 -2.638 -7.614 238 HE1 PHE 38 HE1 PHE 38 -6.968 -2.011 -2.814 239 HE2 PHE 38 HE2 PHE 38 -9.116 -4.080 -5.904 240 HZ PHE 38 HZ PHE 38 -8.576 -3.767 -3.503 241 H SER 39 H SER 39 -4.061 2.104 -6.234 242 HA SER 39 HA SER 39 -3.916 3.927 -8.371 243 1HB SER 39 HB2 SER 39 -1.651 4.259 -7.763 244 2HB SER 39 HB1 SER 39 -2.412 3.717 -6.271 245 HG SER 39 HG SER 39 -1.747 1.549 -6.979 246 H ARG 40 H ARG 40 -1.658 3.590 -9.833 247 HA ARG 40 HA ARG 40 -2.235 1.111 -11.402 248 1HB ARG 40 HB2 ARG 40 -1.608 2.284 -13.378 249 2HB ARG 40 HB1 ARG 40 -2.606 3.425 -12.476 250 1HG ARG 40 HG2 ARG 40 -0.106 3.934 -11.451 251 2HG ARG 40 HG1 ARG 40 0.262 3.556 -13.134 252 1HD ARG 40 HD2 ARG 40 -1.089 5.306 -13.950 253 2HD ARG 40 HD1 ARG 40 -1.969 5.455 -12.429 254 HE ARG 40 HE ARG 40 0.453 6.176 -11.573 255 1HH1 ARG 40 1HH1 ARG 40 -1.657 8.128 -12.788 256 2HH1 ARG 40 2HH1 ARG 40 -0.626 9.087 -13.797 257 1HH2 ARG 40 1HH2 ARG 40 2.038 6.873 -13.635 258 2HH2 ARG 40 2HH2 ARG 40 1.466 8.377 -14.275 259 H ALA 41 H ALA 41 -0.460 -0.193 -12.001 260 HA ALA 41 HA ALA 41 1.728 -0.453 -10.311 261 1HB ALA 41 HB1 ALA 41 0.898 -1.763 -12.555 262 2HB ALA 41 HB2 ALA 41 2.454 -2.049 -11.776 263 3HB ALA 41 HB3 ALA 41 2.348 -0.963 -13.162 264 H GLY 42 H GLY 42 4.104 0.024 -10.896 265 1HA GLY 42 HA2 GLY 42 5.767 1.592 -11.530 266 2HA GLY 42 HA1 GLY 42 4.578 2.350 -12.586 267 H LYS 43 H LYS 43 3.773 1.727 -9.255 268 HA LYS 43 HA LYS 43 3.831 4.683 -8.785 269 1HB LYS 43 HB2 LYS 43 1.601 3.877 -8.539 270 2HB LYS 43 HB1 LYS 43 2.132 2.468 -7.624 271 1HG LYS 43 HG2 LYS 43 1.166 4.149 -6.113 272 2HG LYS 43 HG1 LYS 43 2.890 3.956 -5.793 273 1HD LYS 43 HD2 LYS 43 3.435 6.017 -6.710 274 2HD LYS 43 HD1 LYS 43 2.028 6.030 -7.773 275 1HE LYS 43 HE2 LYS 43 0.750 6.055 -5.414 276 2HE LYS 43 HE1 LYS 43 2.249 6.836 -4.913 277 1HZ LYS 43 HZ1 LYS 43 0.260 8.191 -5.940 278 2HZ LYS 43 HZ2 LYS 43 1.005 7.739 -7.399 279 3HZ LYS 43 HZ3 LYS 43 1.873 8.623 -6.236 280 H ILE 44 H ILE 44 5.393 5.392 -7.434 281 HA ILE 44 HA ILE 44 7.039 3.513 -5.959 282 HB ILE 44 HB ILE 44 8.013 5.541 -6.928 283 1HG1 ILE 44 2HG1 ILE 44 8.973 6.495 -4.696 284 2HG1 ILE 44 1HG1 ILE 44 8.023 5.221 -3.930 285 1HG2 ILE 44 1HG2 ILE 44 5.680 6.734 -5.910 286 2HG2 ILE 44 2HG2 ILE 44 7.008 7.545 -6.741 287 3HG2 ILE 44 3HG2 ILE 44 7.005 7.437 -4.981 288 1HD1 ILE 44 1HD1 ILE 44 10.559 4.858 -4.845 289 2HD1 ILE 44 2HD1 ILE 44 9.634 4.373 -6.266 290 3HD1 ILE 44 3HD1 ILE 44 9.372 3.559 -4.723 291 H CYS 45 H CYS 45 6.625 2.761 -3.954 292 HA CYS 45 HA CYS 45 4.665 4.264 -2.261 293 1HB CYS 45 HB2 CYS 45 4.490 2.012 -1.057 294 2HB CYS 45 HB1 CYS 45 3.827 2.075 -2.688 295 H ARG 46 H ARG 46 7.935 3.275 -2.535 296 HA ARG 46 HA ARG 46 8.548 4.531 0.053 297 1HB ARG 46 HB2 ARG 46 9.216 1.630 -0.534 298 2HB ARG 46 HB1 ARG 46 9.915 2.559 0.792 299 1HG ARG 46 HG2 ARG 46 7.494 3.051 1.503 300 2HG ARG 46 HG1 ARG 46 7.030 1.760 0.394 301 1HD ARG 46 HD2 ARG 46 7.596 0.207 1.917 302 2HD ARG 46 HD1 ARG 46 9.233 0.858 2.001 303 HE ARG 46 HE ARG 46 8.376 2.438 3.753 304 1HH1 ARG 46 1HH2 ARG 46 5.560 1.141 2.800 305 2HH1 ARG 46 2HH2 ARG 46 5.112 0.425 4.313 306 1HH2 ARG 46 1HH1 ARG 46 8.231 0.882 5.755 307 2HH2 ARG 46 2HH1 ARG 46 6.624 0.280 5.986 308 H ILE 47 H ILE 47 11.052 4.569 0.307 309 HA ILE 47 HA ILE 47 12.294 4.687 -2.409 310 HB ILE 47 HB ILE 47 11.672 6.927 -1.239 311 1HG1 ILE 47 2HG1 ILE 47 14.578 6.693 -2.001 312 2HG1 ILE 47 1HG1 ILE 47 13.308 6.450 -3.201 313 1HG2 ILE 47 1HG2 ILE 47 14.204 6.198 0.265 314 2HG2 ILE 47 2HG2 ILE 47 12.594 6.299 0.976 315 3HG2 ILE 47 3HG2 ILE 47 13.367 7.748 0.337 316 1HD1 ILE 47 1HD1 ILE 47 14.206 8.937 -1.897 317 2HD1 ILE 47 2HD1 ILE 47 12.455 8.743 -1.964 318 3HD1 ILE 47 3HD1 ILE 47 13.404 8.707 -3.450 319 HA PRO 48 HA PRO 48 15.357 2.135 -0.518 320 1HB PRO 48 HB2 PRO 48 17.208 2.286 -2.545 321 2HB PRO 48 HB1 PRO 48 15.742 1.295 -2.630 322 1HG PRO 48 HG2 PRO 48 16.345 3.868 -4.002 323 2HG PRO 48 HG1 PRO 48 15.226 2.579 -4.476 324 1HD PRO 48 HD2 PRO 48 14.526 5.041 -3.247 325 2HD PRO 48 HD1 PRO 48 13.460 3.640 -3.472 326 H ARG 49 H ARG 49 17.467 2.350 0.483 327 HA ARG 49 HA ARG 49 18.336 5.188 0.751 328 1HB ARG 49 HB2 ARG 49 18.488 2.775 2.535 329 2HB ARG 49 HB1 ARG 49 19.635 4.097 2.757 330 1HG ARG 49 HG2 ARG 49 17.938 4.856 4.125 331 2HG ARG 49 HG1 ARG 49 17.404 5.560 2.599 332 1HD ARG 49 HD2 ARG 49 15.582 4.218 2.490 333 2HD ARG 49 HD1 ARG 49 16.501 2.791 2.969 334 HE ARG 49 HE ARG 49 15.950 4.687 5.147 335 1HH1 ARG 49 1HH2 ARG 49 14.465 2.296 3.205 336 2HH1 ARG 49 2HH2 ARG 49 13.716 1.473 4.534 337 1HH2 ARG 49 1HH1 ARG 49 15.207 3.461 6.952 338 2HH2 ARG 49 2HH1 ARG 49 14.135 2.133 6.654 339 H GLY 50 H GLY 50 19.116 2.757 -1.197 340 1HA GLY 50 HA2 GLY 50 21.336 3.411 -2.409 341 2HA GLY 50 HA1 GLY 50 22.066 3.032 -0.848 342 H GLU 51 H GLU 51 22.529 1.678 -3.410 343 HA GLU 51 HA GLU 51 22.488 -0.484 -4.363 344 1HB GLU 51 HB2 GLU 51 23.286 -2.168 -2.828 345 2HB GLU 51 HB1 GLU 51 24.025 -0.634 -2.366 346 1HG GLU 51 HG2 GLU 51 22.567 -0.360 -0.514 347 2HG GLU 51 HG1 GLU 51 21.452 -1.591 -1.106 348 H MET 52 H MET 52 19.814 0.622 -3.620 349 HA MET 52 HA MET 52 18.401 -1.991 -3.538 350 1HB MET 52 HB2 MET 52 17.810 0.399 -1.774 351 2HB MET 52 HB1 MET 52 16.692 -0.947 -1.998 352 1HG MET 52 HG2 MET 52 19.533 -1.517 -1.212 353 2HG MET 52 HG1 MET 52 18.386 -0.984 0.017 354 1HE MET 52 HE1 MET 52 20.155 -3.375 -0.453 355 2HE MET 52 HE2 MET 52 19.638 -4.325 -1.844 356 3HE MET 52 HE3 MET 52 19.293 -4.903 -0.216 357 HA PRO 53 HA PRO 53 16.189 -0.048 -6.826 358 1HB PRO 53 HB2 PRO 53 14.139 -1.873 -6.994 359 2HB PRO 53 HB1 PRO 53 15.770 -2.170 -7.621 360 1HG PRO 53 HG2 PRO 53 14.479 -3.258 -5.159 361 2HG PRO 53 HG1 PRO 53 15.759 -3.963 -6.162 362 1HD PRO 53 HD2 PRO 53 16.143 -2.665 -3.685 363 2HD PRO 53 HD1 PRO 53 17.412 -3.040 -4.872 364 H ASP 54 H ASP 54 14.222 1.154 -7.163 365 HA ASP 54 HA ASP 54 13.012 2.200 -4.741 366 1HB ASP 54 HB2 ASP 54 12.217 2.590 -7.644 367 2HB ASP 54 HB1 ASP 54 11.678 3.577 -6.284 368 H ASP 55 H ASP 55 10.998 1.724 -3.873 369 HA ASP 55 HA ASP 55 9.753 -0.782 -4.620 370 1HB ASP 55 HB2 ASP 55 8.660 1.428 -2.848 371 2HB ASP 55 HB1 ASP 55 8.111 -0.248 -2.890 372 H ARG 56 H ARG 56 7.973 -1.107 -5.935 373 HA ARG 56 HA ARG 56 6.554 1.298 -6.997 374 1HB ARG 56 HB2 ARG 56 8.463 0.260 -8.486 375 2HB ARG 56 HB1 ARG 56 7.259 -0.989 -8.810 376 1HG ARG 56 HG2 ARG 56 6.273 0.363 -10.295 377 2HG ARG 56 HG1 ARG 56 5.948 1.528 -9.010 378 1HD ARG 56 HD2 ARG 56 7.260 2.563 -10.832 379 2HD ARG 56 HD1 ARG 56 8.181 2.518 -9.329 380 HE ARG 56 HE ARG 56 8.926 0.181 -10.596 381 1HH1 ARG 56 1HH1 ARG 56 8.361 1.483 -13.198 382 2HH1 ARG 56 2HH1 ARG 56 9.854 2.285 -13.555 383 1HH2 ARG 56 1HH2 ARG 56 11.048 2.080 -10.307 384 2HH2 ARG 56 2HH2 ARG 56 11.375 2.624 -11.917 385 H CYS 57 H CYS 57 4.463 0.955 -6.372 386 HA CYS 57 HA CYS 57 3.372 -1.601 -5.725 387 1HB CYS 57 HB2 CYS 57 1.976 0.963 -6.561 388 2HB CYS 57 HB1 CYS 57 1.153 -0.455 -5.908 389 H THR 58 H THR 58 1.977 -2.953 -6.945 390 HA THR 58 HA THR 58 2.572 -2.994 -9.808 391 HB THR 58 HB THR 58 1.736 -5.166 -9.786 392 HG1 THR 58 HG1 THR 58 -0.240 -5.299 -9.126 393 1HG2 THR 58 1HG2 THR 58 3.381 -4.467 -7.722 394 2HG2 THR 58 2HG2 THR 58 2.911 -6.126 -8.091 395 3HG2 THR 58 3HG2 THR 58 2.046 -5.221 -6.850 396 H GLY 59 H GLY 59 0.538 -1.101 -8.180 397 1HA GLY 59 HA2 GLY 59 -1.188 0.250 -9.128 398 2HA GLY 59 HA1 GLY 59 -1.286 -0.877 -10.482 399 H GLN 60 H GLN 60 -1.664 -3.282 -9.116 400 HA GLN 60 HA GLN 60 -4.467 -2.959 -8.289 401 1HB GLN 60 HB2 GLN 60 -2.706 -5.399 -8.653 402 2HB GLN 60 HB1 GLN 60 -4.405 -5.473 -8.184 403 1HG GLN 60 HG2 GLN 60 -4.553 -3.826 -10.350 404 2HG GLN 60 HG1 GLN 60 -3.202 -4.860 -10.816 405 1HE2 GLN 60 1HE2 GLN 60 -4.803 -5.715 -12.496 406 2HE2 GLN 60 2HE2 GLN 60 -5.894 -6.926 -12.018 407 H SER 61 H SER 61 -1.443 -2.993 -6.760 408 HA SER 61 HA SER 61 -2.557 -4.076 -4.223 409 1HB SER 61 HB2 SER 61 0.257 -3.073 -4.502 410 2HB SER 61 HB1 SER 61 -0.365 -4.383 -3.503 411 HG SER 61 HG SER 61 0.099 -5.667 -5.088 412 H ALA 62 H ALA 62 -3.750 -2.491 -3.218 413 HA ALA 62 HA ALA 62 -3.332 0.310 -3.443 414 1HB ALA 62 HB1 ALA 62 -4.509 -1.181 -1.077 415 2HB ALA 62 HB2 ALA 62 -5.403 -0.754 -2.536 416 3HB ALA 62 HB3 ALA 62 -4.777 0.515 -1.483 417 H ASP 63 H ASP 63 -2.334 -1.905 -0.807 418 HA ASP 63 HA ASP 63 -0.675 0.175 0.413 419 1HB ASP 63 HB2 ASP 63 -0.916 -2.798 0.973 420 2HB ASP 63 HB1 ASP 63 0.014 -1.665 1.954 421 H CYS 64 H CYS 64 1.683 -1.065 1.067 422 HA CYS 64 HA CYS 64 2.865 -1.854 -1.561 423 1HB CYS 64 HB2 CYS 64 3.421 0.484 -1.155 424 2HB CYS 64 HB1 CYS 64 4.017 0.091 0.455 425 HA PRO 65 HA PRO 65 4.338 -5.115 1.036 426 1HB PRO 65 HB2 PRO 65 5.276 -6.588 -1.070 427 2HB PRO 65 HB1 PRO 65 3.581 -6.568 -0.586 428 1HG PRO 65 HG2 PRO 65 4.890 -5.333 -2.946 429 2HG PRO 65 HG1 PRO 65 3.190 -5.773 -2.710 430 1HD PRO 65 HD2 PRO 65 4.310 -3.163 -2.527 431 2HD PRO 65 HD1 PRO 65 2.659 -3.644 -2.088 432 H ARG 66 H ARG 66 6.618 -6.525 0.522 433 HA ARG 66 HA ARG 66 8.763 -4.518 0.009 434 1HB ARG 66 HB2 ARG 66 8.464 -6.308 2.431 435 2HB ARG 66 HB1 ARG 66 10.012 -5.599 1.967 436 1HG ARG 66 HG2 ARG 66 9.344 -3.453 2.489 437 2HG ARG 66 HG1 ARG 66 7.648 -3.780 2.130 438 1HD ARG 66 HD2 ARG 66 8.502 -5.444 4.321 439 2HD ARG 66 HD1 ARG 66 8.895 -3.761 4.673 440 HE ARG 66 HE ARG 66 6.296 -3.632 3.743 441 1HH1 ARG 66 1HH1 ARG 66 8.061 -5.016 6.341 442 2HH1 ARG 66 2HH1 ARG 66 6.657 -5.359 7.295 443 1HH2 ARG 66 1HH2 ARG 66 4.425 -4.252 4.886 444 2HH2 ARG 66 2HH2 ARG 66 4.599 -4.925 6.472 445 H TYR 67 H TYR 67 10.584 -5.395 -1.003 446 HA TYR 67 HA TYR 67 10.334 -8.267 -1.787 447 1HB TYR 67 HB2 TYR 67 12.104 -7.417 -3.560 448 2HB TYR 67 HB1 TYR 67 10.386 -7.099 -3.797 449 HD1 TYR 67 HD2 TYR 67 13.627 -5.637 -2.818 450 HD2 TYR 67 HD1 TYR 67 9.453 -4.873 -3.485 451 HE1 TYR 67 HE2 TYR 67 14.071 -3.197 -2.794 452 HE2 TYR 67 HE1 TYR 67 9.896 -2.432 -3.460 453 HH TYR 67 HH TYR 67 11.576 -0.868 -3.632 454 H HIS 68 H HIS 68 11.410 -9.101 0.084 455 HA HIS 68 HA HIS 68 13.750 -8.243 1.297 456 1HB HIS 68 HB2 HIS 68 13.236 -11.145 0.604 457 2HB HIS 68 HB1 HIS 68 14.122 -10.514 1.992 458 HD1 HIS 68 HD1 HIS 68 12.724 -9.421 3.913 459 HD2 HIS 68 HD2 HIS 68 10.411 -11.082 0.868 460 HE1 HIS 68 HE1 HIS 68 10.351 -9.528 4.791 Start of MODEL 13 1 1H GLY 1 HT1 GLY 1 -12.376 -13.810 8.428 2 2H GLY 1 HT2 GLY 1 -11.637 -14.817 7.276 3 3H GLY 1 HT3 GLY 1 -12.125 -13.248 6.847 4 1HA GLY 1 HA1 GLY 1 -10.005 -13.907 8.818 5 2HA GLY 1 HA2 GLY 1 -9.725 -13.360 7.165 6 H LYS 2 H LYS 2 -9.282 -11.214 7.070 7 HA LYS 2 HA LYS 2 -9.955 -9.447 9.295 8 1HB LYS 2 HB2 LYS 2 -8.780 -8.828 6.565 9 2HB LYS 2 HB1 LYS 2 -8.860 -7.705 7.923 10 1HG LYS 2 HG2 LYS 2 -7.554 -9.421 9.271 11 2HG LYS 2 HG1 LYS 2 -7.286 -10.282 7.754 12 1HD LYS 2 HD2 LYS 2 -6.177 -8.344 6.792 13 2HD LYS 2 HD1 LYS 2 -6.548 -7.380 8.222 14 1HE LYS 2 HE2 LYS 2 -4.180 -8.499 7.996 15 2HE LYS 2 HE1 LYS 2 -5.005 -8.517 9.554 16 1HZ LYS 2 HZ1 LYS 2 -5.665 -10.719 9.261 17 2HZ LYS 2 HZ2 LYS 2 -4.057 -10.698 8.711 18 3HZ LYS 2 HZ3 LYS 2 -5.340 -10.705 7.597 19 H GLU 3 H GLU 3 -11.750 -8.167 9.438 20 HA GLU 3 HA GLU 3 -13.583 -8.128 7.083 21 1HB GLU 3 HB2 GLU 3 -14.206 -8.903 9.558 22 2HB GLU 3 HB1 GLU 3 -14.442 -7.168 9.780 23 1HG GLU 3 HG2 GLU 3 -16.045 -7.080 7.983 24 2HG GLU 3 HG1 GLU 3 -15.683 -8.739 7.507 25 H CYS 4 H CYS 4 -11.436 -6.385 6.880 26 HA CYS 4 HA CYS 4 -12.874 -3.815 6.956 27 1HB CYS 4 HB2 CYS 4 -11.617 -3.940 9.120 28 2HB CYS 4 HB1 CYS 4 -10.122 -4.084 8.197 29 H ASP 5 H ASP 5 -12.371 -2.591 5.173 30 HA ASP 5 HA ASP 5 -10.269 -3.677 3.368 31 1HB ASP 5 HB2 ASP 5 -12.829 -3.062 2.786 32 2HB ASP 5 HB1 ASP 5 -12.084 -1.493 2.472 33 H CYS 6 H CYS 6 -11.164 -0.839 5.213 34 HA CYS 6 HA CYS 6 -8.811 0.617 4.097 35 1HB CYS 6 HB2 CYS 6 -9.828 2.639 4.912 36 2HB CYS 6 HB1 CYS 6 -11.105 1.720 4.121 37 H SER 7 H SER 7 -7.780 2.084 5.970 38 HA SER 7 HA SER 7 -7.342 0.244 8.289 39 1HB SER 7 HB2 SER 7 -5.344 0.573 6.857 40 2HB SER 7 HB1 SER 7 -5.456 2.311 7.112 41 HG SER 7 HG SER 7 -4.287 0.489 8.644 42 H SER 8 H SER 8 -9.369 2.459 7.926 43 HA SER 8 HA SER 8 -8.780 3.801 10.489 44 1HB SER 8 HB2 SER 8 -9.767 5.924 9.065 45 2HB SER 8 HB1 SER 8 -8.058 5.656 9.392 46 HG SER 8 HG SER 8 -7.920 4.561 7.409 47 HA PRO 9 HA PRO 9 -13.126 2.949 10.751 48 1HB PRO 9 HB2 PRO 9 -13.494 4.068 13.236 49 2HB PRO 9 HB1 PRO 9 -12.761 2.474 12.979 50 1HG PRO 9 HG2 PRO 9 -11.449 5.044 13.730 51 2HG PRO 9 HG1 PRO 9 -10.930 3.382 14.057 52 1HD PRO 9 HD2 PRO 9 -9.891 5.079 12.042 53 2HD PRO 9 HD1 PRO 9 -9.621 3.328 12.177 54 H GLU 10 H GLU 10 -11.789 6.168 11.411 55 HA GLU 10 HA GLU 10 -14.371 7.507 11.113 56 1HB GLU 10 HB2 GLU 10 -11.576 8.292 11.691 57 2HB GLU 10 HB1 GLU 10 -12.524 9.491 10.810 58 1HG GLU 10 HG2 GLU 10 -13.561 10.067 12.719 59 2HG GLU 10 HG1 GLU 10 -14.187 8.424 12.867 60 H ASN 11 H ASN 11 -12.395 6.003 8.940 61 HA ASN 11 HA ASN 11 -12.452 7.970 6.791 62 1HB ASN 11 HB2 ASN 11 -10.756 6.082 7.066 63 2HB ASN 11 HB1 ASN 11 -12.029 4.987 6.528 64 1HD2 ASN 11 1HD2 ASN 11 -9.388 6.330 5.281 65 2HD2 ASN 11 2HD2 ASN 11 -9.908 6.707 3.711 66 HA PRO 12 HA PRO 12 -16.661 6.915 5.754 67 1HB PRO 12 HB2 PRO 12 -16.878 8.714 3.687 68 2HB PRO 12 HB1 PRO 12 -17.015 9.163 5.396 69 1HG PRO 12 HG2 PRO 12 -14.758 9.638 3.508 70 2HG PRO 12 HG1 PRO 12 -15.218 10.545 4.958 71 1HD PRO 12 HD2 PRO 12 -13.109 8.659 4.772 72 2HD PRO 12 HD1 PRO 12 -13.777 9.341 6.270 73 H CYS 13 H CYS 13 -13.905 6.782 3.596 74 HA CYS 13 HA CYS 13 -15.261 5.730 1.298 75 1HB CYS 13 HB2 CYS 13 -12.787 6.611 1.605 76 2HB CYS 13 HB1 CYS 13 -12.447 4.911 1.937 77 H CYS 14 H CYS 14 -14.722 4.377 4.360 78 HA CYS 14 HA CYS 14 -15.404 1.692 3.260 79 1HB CYS 14 HB2 CYS 14 -13.924 0.640 4.945 80 2HB CYS 14 HB1 CYS 14 -13.013 1.654 3.826 81 H ASP 15 H ASP 15 -17.299 1.069 4.111 82 HA ASP 15 HA ASP 15 -18.759 2.399 6.088 83 1HB ASP 15 HB2 ASP 15 -19.335 0.339 4.493 84 2HB ASP 15 HB1 ASP 15 -18.984 -0.580 5.956 85 H ALA 16 H ALA 16 -18.499 2.596 8.254 86 HA ALA 16 HA ALA 16 -16.302 1.328 9.629 87 1HB ALA 16 HB1 ALA 16 -18.485 2.391 11.302 88 2HB ALA 16 HB2 ALA 16 -17.873 3.534 10.105 89 3HB ALA 16 HB3 ALA 16 -16.774 2.818 11.283 90 H ALA 17 H ALA 17 -19.784 0.703 9.449 91 HA ALA 17 HA ALA 17 -20.103 -1.132 11.538 92 1HB ALA 17 HB1 ALA 17 -21.461 -2.195 9.261 93 2HB ALA 17 HB2 ALA 17 -21.521 -0.436 9.149 94 3HB ALA 17 HB3 ALA 17 -22.141 -1.250 10.586 95 H THR 18 H THR 18 -19.026 -1.843 8.199 96 HA THR 18 HA THR 18 -17.974 -4.446 9.225 97 HB THR 18 HB THR 18 -19.448 -4.952 7.457 98 HG1 THR 18 HG1 THR 18 -17.964 -6.038 6.483 99 1HG2 THR 18 1HG2 THR 18 -18.958 -3.548 5.211 100 2HG2 THR 18 2HG2 THR 18 -18.504 -2.336 6.408 101 3HG2 THR 18 3HG2 THR 18 -20.128 -3.024 6.422 102 H CYS 19 H CYS 19 -16.894 -1.438 8.814 103 HA CYS 19 HA CYS 19 -14.809 -0.476 8.302 104 1HB CYS 19 HB2 CYS 19 -14.357 -2.409 10.047 105 2HB CYS 19 HB1 CYS 19 -13.569 -3.184 8.673 106 H LYS 20 H LYS 20 -16.363 -2.065 6.151 107 HA LYS 20 HA LYS 20 -14.040 -2.551 4.331 108 1HB LYS 20 HB2 LYS 20 -16.805 -3.749 4.455 109 2HB LYS 20 HB1 LYS 20 -15.840 -3.831 2.980 110 1HG LYS 20 HG2 LYS 20 -14.068 -4.580 5.016 111 2HG LYS 20 HG1 LYS 20 -15.582 -5.383 5.431 112 1HD LYS 20 HD2 LYS 20 -15.347 -6.855 3.743 113 2HD LYS 20 HD1 LYS 20 -15.077 -5.556 2.580 114 1HE LYS 20 HE2 LYS 20 -12.842 -5.879 2.597 115 2HE LYS 20 HE1 LYS 20 -12.792 -5.927 4.360 116 1HZ LYS 20 HZ1 LYS 20 -13.693 -8.182 2.653 117 2HZ LYS 20 HZ2 LYS 20 -13.450 -8.206 4.334 118 3HZ LYS 20 HZ3 LYS 20 -12.126 -8.034 3.284 119 H LEU 21 H LEU 21 -14.413 -1.931 2.042 120 HA LEU 21 HA LEU 21 -15.109 0.758 1.705 121 1HB LEU 21 HB2 LEU 21 -14.929 -1.562 -0.190 122 2HB LEU 21 HB1 LEU 21 -15.494 0.005 -0.773 123 HG LEU 21 HG LEU 21 -13.094 0.162 0.922 124 1HD1 LEU 21 1HD1 LEU 21 -13.120 -1.985 -0.795 125 2HD1 LEU 21 2HD1 LEU 21 -11.666 -1.143 -0.259 126 3HD1 LEU 21 3HD1 LEU 21 -12.414 -0.719 -1.798 127 1HD2 LEU 21 1HD2 LEU 21 -14.315 1.423 -1.448 128 2HD2 LEU 21 2HD2 LEU 21 -12.555 1.319 -1.512 129 3HD2 LEU 21 3HD2 LEU 21 -13.342 2.145 -0.167 130 H ARG 22 H ARG 22 -17.001 1.842 1.472 131 HA ARG 22 HA ARG 22 -19.507 0.290 1.647 132 1HB ARG 22 HB2 ARG 22 -18.648 2.808 2.623 133 2HB ARG 22 HB1 ARG 22 -19.950 3.127 1.476 134 1HG ARG 22 HG2 ARG 22 -20.757 0.870 2.982 135 2HG ARG 22 HG1 ARG 22 -20.127 2.042 4.141 136 1HD ARG 22 HD2 ARG 22 -21.549 3.787 2.903 137 2HD ARG 22 HD1 ARG 22 -22.353 2.420 2.132 138 HE ARG 22 HE ARG 22 -23.119 1.708 4.365 139 1HH1 ARG 22 1HH2 ARG 22 -20.943 4.256 4.766 140 2HH1 ARG 22 2HH2 ARG 22 -21.893 5.105 5.939 141 1HH2 ARG 22 1HH1 ARG 22 -24.651 3.029 5.596 142 2HH2 ARG 22 2HH1 ARG 22 -23.995 4.411 6.407 143 HA PRO 23 HA PRO 23 -20.314 2.679 -2.394 144 1HB PRO 23 HB2 PRO 23 -18.336 4.325 -3.360 145 2HB PRO 23 HB1 PRO 23 -19.589 4.860 -2.228 146 1HG PRO 23 HG2 PRO 23 -16.710 4.316 -1.713 147 2HG PRO 23 HG1 PRO 23 -17.829 5.368 -0.830 148 1HD PRO 23 HD2 PRO 23 -16.987 2.767 -0.056 149 2HD PRO 23 HD1 PRO 23 -18.286 3.722 0.689 150 H GLY 24 H GLY 24 -18.664 3.090 -4.697 151 1HA GLY 24 HA2 GLY 24 -17.787 0.309 -5.161 152 2HA GLY 24 HA1 GLY 24 -17.987 1.550 -6.397 153 H ALA 25 H ALA 25 -16.207 2.258 -3.475 154 HA ALA 25 HA ALA 25 -13.837 2.926 -5.025 155 1HB ALA 25 HB1 ALA 25 -13.955 4.325 -3.199 156 2HB ALA 25 HB2 ALA 25 -12.952 3.060 -2.488 157 3HB ALA 25 HB3 ALA 25 -14.687 3.094 -2.172 158 H GLN 26 H GLN 26 -12.096 1.604 -5.430 159 HA GLN 26 HA GLN 26 -12.213 -1.191 -4.696 160 1HB GLN 26 HB2 GLN 26 -10.611 0.504 -6.419 161 2HB GLN 26 HB1 GLN 26 -9.587 -0.609 -5.512 162 1HG GLN 26 HG2 GLN 26 -10.177 -2.234 -6.954 163 2HG GLN 26 HG1 GLN 26 -11.823 -2.121 -6.330 164 1HE2 GLN 26 1HE2 GLN 26 -13.074 -2.189 -8.237 165 2HE2 GLN 26 2HE2 GLN 26 -12.879 -1.117 -9.539 166 H CYS 27 H CYS 27 -10.791 1.642 -3.276 167 HA CYS 27 HA CYS 27 -9.948 0.041 -0.957 168 1HB CYS 27 HB2 CYS 27 -7.657 1.051 -0.965 169 2HB CYS 27 HB1 CYS 27 -7.927 -0.050 -2.315 170 H GLY 28 H GLY 28 -10.150 1.245 0.914 171 1HA GLY 28 HA2 GLY 28 -11.331 3.903 0.648 172 2HA GLY 28 HA1 GLY 28 -11.079 3.036 2.162 173 H GLU 29 H GLU 29 -8.218 2.551 1.541 174 HA GLU 29 HA GLU 29 -6.938 5.134 1.211 175 1HB GLU 29 HB2 GLU 29 -8.010 5.196 3.546 176 2HB GLU 29 HB1 GLU 29 -6.827 3.975 4.000 177 1HG GLU 29 HG2 GLU 29 -5.020 5.533 3.187 178 2HG GLU 29 HG1 GLU 29 -6.261 6.764 2.962 179 H GLY 30 H GLY 30 -4.544 4.918 1.505 180 1HA GLY 30 HA2 GLY 30 -3.075 2.702 2.230 181 2HA GLY 30 HA1 GLY 30 -3.649 2.290 0.613 182 H LEU 31 H LEU 31 -0.958 2.504 0.877 183 HA LEU 31 HA LEU 31 0.070 5.170 0.481 184 1HB LEU 31 HB2 LEU 31 1.126 2.414 0.380 185 2HB LEU 31 HB1 LEU 31 1.944 3.554 -0.687 186 HG LEU 31 HG LEU 31 3.042 3.568 1.490 187 1HD1 LEU 31 1HD1 LEU 31 3.139 5.882 1.743 188 2HD1 LEU 31 2HD1 LEU 31 1.401 6.083 1.519 189 3HD1 LEU 31 3HD1 LEU 31 2.438 5.747 0.131 190 1HD2 LEU 31 1HD2 LEU 31 0.743 2.874 2.597 191 2HD2 LEU 31 2HD2 LEU 31 0.543 4.618 2.783 192 3HD2 LEU 31 3HD2 LEU 31 1.923 3.805 3.522 193 H CYS 32 H CYS 32 -0.663 2.505 -1.790 194 HA CYS 32 HA CYS 32 -0.397 4.484 -4.009 195 1HB CYS 32 HB2 CYS 32 -0.299 1.457 -4.000 196 2HB CYS 32 HB1 CYS 32 -0.291 2.435 -5.468 197 H CYS 33 H CYS 33 -2.628 5.187 -3.143 198 HA CYS 33 HA CYS 33 -4.660 3.856 -4.823 199 1HB CYS 33 HB2 CYS 33 -4.583 3.666 -1.907 200 2HB CYS 33 HB1 CYS 33 -6.086 4.384 -2.487 201 H GLU 34 H GLU 34 -5.491 5.513 -5.992 202 HA GLU 34 HA GLU 34 -5.714 8.182 -4.666 203 1HB GLU 34 HB2 GLU 34 -5.676 7.820 -7.651 204 2HB GLU 34 HB1 GLU 34 -5.197 9.224 -6.697 205 1HG GLU 34 HG2 GLU 34 -3.534 7.112 -5.836 206 2HG GLU 34 HG1 GLU 34 -3.574 7.006 -7.596 207 H GLN 35 H GLN 35 -7.697 9.243 -4.803 208 HA GLN 35 HA GLN 35 -10.013 9.446 -5.089 209 1HB GLN 35 HB2 GLN 35 -8.953 8.475 -7.600 210 2HB GLN 35 HB1 GLN 35 -10.559 7.803 -7.316 211 1HG GLN 35 HG2 GLN 35 -11.546 9.793 -7.698 212 2HG GLN 35 HG1 GLN 35 -10.453 10.615 -6.585 213 1HE2 GLN 35 1HE2 GLN 35 -9.518 8.814 -9.539 214 2HE2 GLN 35 2HE2 GLN 35 -8.862 10.159 -10.341 215 H CYS 36 H CYS 36 -8.813 7.190 -3.559 216 HA CYS 36 HA CYS 36 -9.606 5.308 -2.403 217 1HB CYS 36 HB2 CYS 36 -12.059 6.614 -3.456 218 2HB CYS 36 HB1 CYS 36 -12.219 4.927 -2.972 219 H LYS 37 H LYS 37 -8.587 5.159 -5.208 220 HA LYS 37 HA LYS 37 -9.845 2.538 -5.906 221 1HB LYS 37 HB2 LYS 37 -9.837 4.898 -7.479 222 2HB LYS 37 HB1 LYS 37 -8.676 3.797 -8.222 223 1HG LYS 37 HG2 LYS 37 -10.582 2.011 -7.825 224 2HG LYS 37 HG1 LYS 37 -11.622 3.434 -7.790 225 1HD LYS 37 HD2 LYS 37 -10.224 4.052 -9.978 226 2HD LYS 37 HD1 LYS 37 -10.035 2.301 -10.053 227 1HE LYS 37 HE2 LYS 37 -12.264 1.940 -10.461 228 2HE LYS 37 HE1 LYS 37 -12.773 3.317 -9.484 229 1HZ LYS 37 HZ1 LYS 37 -13.193 3.847 -11.740 230 2HZ LYS 37 HZ2 LYS 37 -11.635 3.371 -12.222 231 3HZ LYS 37 HZ3 LYS 37 -11.845 4.761 -11.268 232 H PHE 38 H PHE 38 -8.341 1.074 -7.053 233 HA PHE 38 HA PHE 38 -5.732 1.056 -5.818 234 1HB PHE 38 HB2 PHE 38 -7.062 -0.593 -7.962 235 2HB PHE 38 HB1 PHE 38 -5.357 -0.822 -7.573 236 HD1 PHE 38 HD1 PHE 38 -5.163 -0.485 -4.728 237 HD2 PHE 38 HD2 PHE 38 -8.302 -2.332 -7.003 238 HE1 PHE 38 HE1 PHE 38 -5.783 -1.856 -2.758 239 HE2 PHE 38 HE2 PHE 38 -8.924 -3.703 -5.033 240 HZ PHE 38 HZ PHE 38 -7.663 -3.466 -2.909 241 H SER 39 H SER 39 -3.956 2.156 -6.498 242 HA SER 39 HA SER 39 -3.948 3.807 -8.828 243 1HB SER 39 HB2 SER 39 -1.474 2.710 -7.474 244 2HB SER 39 HB1 SER 39 -1.651 4.243 -8.323 245 HG SER 39 HG SER 39 -3.468 4.370 -6.531 246 H ARG 40 H ARG 40 -1.176 2.853 -9.693 247 HA ARG 40 HA ARG 40 -2.022 0.402 -11.173 248 1HB ARG 40 HB2 ARG 40 -1.224 3.039 -12.246 249 2HB ARG 40 HB1 ARG 40 -0.402 1.664 -12.984 250 1HG ARG 40 HG2 ARG 40 -2.259 1.068 -14.110 251 2HG ARG 40 HG1 ARG 40 -3.225 1.100 -12.634 252 1HD ARG 40 HD2 ARG 40 -3.942 2.744 -14.444 253 2HD ARG 40 HD1 ARG 40 -3.650 3.447 -12.853 254 HE ARG 40 HE ARG 40 -1.787 4.596 -13.756 255 1HH1 ARG 40 1HH2 ARG 40 -0.408 2.267 -15.004 256 2HH1 ARG 40 2HH2 ARG 40 -0.491 2.646 -16.692 257 1HH2 ARG 40 1HH1 ARG 40 -2.976 5.033 -16.305 258 2HH2 ARG 40 2HH1 ARG 40 -1.945 4.212 -17.429 259 H ALA 41 H ALA 41 -0.307 -1.057 -11.615 260 HA ALA 41 HA ALA 41 1.761 -1.314 -9.768 261 1HB ALA 41 HB1 ALA 41 1.131 -3.099 -11.348 262 2HB ALA 41 HB2 ALA 41 2.867 -2.797 -11.411 263 3HB ALA 41 HB3 ALA 41 1.816 -2.169 -12.679 264 H GLY 42 H GLY 42 4.170 -1.080 -10.193 265 1HA GLY 42 HA2 GLY 42 6.018 0.261 -10.779 266 2HA GLY 42 HA1 GLY 42 5.062 0.883 -12.125 267 H LYS 43 H LYS 43 3.613 1.018 -8.997 268 HA LYS 43 HA LYS 43 3.790 3.976 -9.081 269 1HB LYS 43 HB2 LYS 43 1.575 3.075 -8.723 270 2HB LYS 43 HB1 LYS 43 2.150 2.075 -7.390 271 1HG LYS 43 HG2 LYS 43 1.009 4.130 -6.581 272 2HG LYS 43 HG1 LYS 43 2.702 4.072 -6.088 273 1HD LYS 43 HD2 LYS 43 3.134 5.991 -7.182 274 2HD LYS 43 HD1 LYS 43 2.496 5.315 -8.682 275 1HE LYS 43 HE2 LYS 43 0.176 5.831 -7.822 276 2HE LYS 43 HE1 LYS 43 0.935 6.703 -6.490 277 1HZ LYS 43 HZ1 LYS 43 1.007 7.321 -9.376 278 2HZ LYS 43 HZ2 LYS 43 2.187 7.935 -8.318 279 3HZ LYS 43 HZ3 LYS 43 0.549 8.325 -8.087 280 H ILE 44 H ILE 44 5.307 5.005 -7.898 281 HA ILE 44 HA ILE 44 7.019 3.609 -6.055 282 HB ILE 44 HB ILE 44 6.739 6.375 -7.089 283 1HG1 ILE 44 2HG1 ILE 44 8.325 4.665 -7.961 284 2HG1 ILE 44 1HG1 ILE 44 9.154 6.104 -7.364 285 1HG2 ILE 44 1HG2 ILE 44 7.948 5.774 -4.377 286 2HG2 ILE 44 2HG2 ILE 44 6.746 7.003 -4.775 287 3HG2 ILE 44 3HG2 ILE 44 8.410 7.182 -5.335 288 1HD1 ILE 44 1HD1 ILE 44 9.522 3.410 -6.521 289 2HD1 ILE 44 2HD1 ILE 44 8.790 4.285 -5.177 290 3HD1 ILE 44 3HD1 ILE 44 10.301 4.859 -5.883 291 H CYS 45 H CYS 45 6.610 3.119 -3.978 292 HA CYS 45 HA CYS 45 4.533 4.715 -2.531 293 1HB CYS 45 HB2 CYS 45 4.528 2.529 -1.048 294 2HB CYS 45 HB1 CYS 45 3.611 2.579 -2.552 295 H ARG 46 H ARG 46 7.823 3.760 -2.616 296 HA ARG 46 HA ARG 46 8.355 5.287 -0.158 297 1HB ARG 46 HB2 ARG 46 8.722 2.325 -0.399 298 2HB ARG 46 HB1 ARG 46 9.951 3.245 0.469 299 1HG ARG 46 HG2 ARG 46 8.599 3.520 2.251 300 2HG ARG 46 HG1 ARG 46 7.274 4.085 1.232 301 1HD ARG 46 HD2 ARG 46 6.723 1.735 0.665 302 2HD ARG 46 HD1 ARG 46 8.021 1.187 1.726 303 HE ARG 46 HE ARG 46 5.643 2.705 2.727 304 1HH1 ARG 46 1HH1 ARG 46 5.350 -0.184 3.005 305 2HH1 ARG 46 2HH1 ARG 46 6.060 -0.520 4.548 306 1HH2 ARG 46 1HH2 ARG 46 7.756 2.498 4.720 307 2HH2 ARG 46 2HH2 ARG 46 7.421 0.998 5.520 308 H ILE 47 H ILE 47 9.764 6.714 -1.059 309 HA ILE 47 HA ILE 47 11.753 5.694 -3.010 310 HB ILE 47 HB ILE 47 10.277 7.703 -3.511 311 1HG1 ILE 47 2HG1 ILE 47 12.414 7.181 -4.700 312 2HG1 ILE 47 1HG1 ILE 47 12.076 8.909 -4.625 313 1HG2 ILE 47 1HG2 ILE 47 10.645 9.758 -2.437 314 2HG2 ILE 47 2HG2 ILE 47 12.192 9.239 -1.769 315 3HG2 ILE 47 3HG2 ILE 47 10.686 8.603 -1.105 316 1HD1 ILE 47 1HD1 ILE 47 14.214 7.340 -3.294 317 2HD1 ILE 47 2HD1 ILE 47 13.478 8.620 -2.330 318 3HD1 ILE 47 3HD1 ILE 47 14.235 9.004 -3.876 319 HA PRO 48 HA PRO 48 14.578 5.985 0.497 320 1HB PRO 48 HB2 PRO 48 16.449 4.313 -0.624 321 2HB PRO 48 HB1 PRO 48 15.017 3.731 0.245 322 1HG PRO 48 HG2 PRO 48 15.554 3.745 -2.686 323 2HG PRO 48 HG1 PRO 48 14.498 2.680 -1.744 324 1HD PRO 48 HD2 PRO 48 13.664 4.883 -3.325 325 2HD PRO 48 HD1 PRO 48 12.670 3.998 -2.149 326 H ARG 49 H ARG 49 16.265 7.470 0.706 327 HA ARG 49 HA ARG 49 17.161 8.858 -1.728 328 1HB ARG 49 HB2 ARG 49 16.701 9.690 0.856 329 2HB ARG 49 HB1 ARG 49 18.462 9.577 0.812 330 1HG ARG 49 HG2 ARG 49 18.152 11.734 0.000 331 2HG ARG 49 HG1 ARG 49 18.169 10.816 -1.506 332 1HD ARG 49 HD2 ARG 49 15.512 10.682 -0.660 333 2HD ARG 49 HD1 ARG 49 15.996 12.340 -0.303 334 HE ARG 49 HE ARG 49 15.324 11.537 -2.856 335 1HH1 ARG 49 1HH1 ARG 49 17.650 13.417 -1.266 336 2HH1 ARG 49 2HH1 ARG 49 18.555 13.795 -2.693 337 1HH2 ARG 49 1HH2 ARG 49 16.729 11.668 -4.735 338 2HH2 ARG 49 2HH2 ARG 49 18.036 12.803 -4.656 339 H GLY 50 H GLY 50 18.803 7.940 -2.858 340 1HA GLY 50 HA2 GLY 50 21.405 7.742 -2.362 341 2HA GLY 50 HA1 GLY 50 20.856 6.365 -1.407 342 H GLU 51 H GLU 51 21.130 4.497 -2.513 343 HA GLU 51 HA GLU 51 20.488 4.497 -5.434 344 1HB GLU 51 HB2 GLU 51 22.286 2.637 -5.531 345 2HB GLU 51 HB1 GLU 51 22.846 4.305 -5.395 346 1HG GLU 51 HG2 GLU 51 23.287 4.077 -3.066 347 2HG GLU 51 HG1 GLU 51 22.384 2.565 -2.966 348 H MET 52 H MET 52 18.957 3.732 -2.935 349 HA MET 52 HA MET 52 18.799 0.834 -2.916 350 1HB MET 52 HB2 MET 52 17.532 3.073 -1.531 351 2HB MET 52 HB1 MET 52 16.379 1.795 -1.918 352 1HG MET 52 HG2 MET 52 18.178 0.176 -0.986 353 2HG MET 52 HG1 MET 52 18.894 1.616 -0.262 354 1HE MET 52 HE1 MET 52 17.438 -1.157 0.296 355 2HE MET 52 HE2 MET 52 15.689 -0.974 0.192 356 3HE MET 52 HE3 MET 52 16.469 -1.026 1.771 357 HA PRO 53 HA PRO 53 15.938 0.153 -6.171 358 1HB PRO 53 HB2 PRO 53 14.309 -1.778 -5.086 359 2HB PRO 53 HB1 PRO 53 15.969 -2.087 -5.621 360 1HG PRO 53 HG2 PRO 53 14.910 -1.818 -2.844 361 2HG PRO 53 HG1 PRO 53 16.316 -2.725 -3.426 362 1HD PRO 53 HD2 PRO 53 16.399 -0.219 -2.127 363 2HD PRO 53 HD1 PRO 53 17.733 -0.965 -3.035 364 H ASP 54 H ASP 54 14.357 1.593 -6.759 365 HA ASP 54 HA ASP 54 12.637 2.940 -4.926 366 1HB ASP 54 HB2 ASP 54 11.885 2.525 -7.809 367 2HB ASP 54 HB1 ASP 54 11.676 3.960 -6.805 368 H ASP 55 H ASP 55 10.978 2.055 -3.806 369 HA ASP 55 HA ASP 55 9.890 -0.539 -4.388 370 1HB ASP 55 HB2 ASP 55 9.718 1.347 -2.292 371 2HB ASP 55 HB1 ASP 55 8.066 1.094 -2.853 372 H ARG 56 H ARG 56 8.053 -1.109 -5.556 373 HA ARG 56 HA ARG 56 6.443 1.111 -6.735 374 1HB ARG 56 HB2 ARG 56 7.538 -1.281 -8.236 375 2HB ARG 56 HB1 ARG 56 6.463 -0.054 -8.901 376 1HG ARG 56 HG2 ARG 56 8.550 1.405 -7.741 377 2HG ARG 56 HG1 ARG 56 9.346 0.043 -8.529 378 1HD ARG 56 HD2 ARG 56 8.007 0.560 -10.602 379 2HD ARG 56 HD1 ARG 56 7.440 2.025 -9.800 380 HE ARG 56 HE ARG 56 10.104 2.370 -9.579 381 1HH1 ARG 56 1HH1 ARG 56 8.550 3.703 -11.800 382 2HH1 ARG 56 2HH1 ARG 56 9.441 3.202 -13.199 383 1HH2 ARG 56 1HH2 ARG 56 11.104 0.643 -11.552 384 2HH2 ARG 56 2HH2 ARG 56 10.885 1.470 -13.059 385 H CYS 57 H CYS 57 4.368 0.779 -6.144 386 HA CYS 57 HA CYS 57 3.395 -1.688 -5.065 387 1HB CYS 57 HB2 CYS 57 1.865 0.641 -6.266 388 2HB CYS 57 HB1 CYS 57 1.151 -0.645 -5.297 389 H THR 58 H THR 58 1.792 -3.125 -6.054 390 HA THR 58 HA THR 58 2.450 -3.685 -8.856 391 HB THR 58 HB THR 58 1.279 -5.746 -8.540 392 HG1 THR 58 HG1 THR 58 -0.590 -5.132 -7.601 393 1HG2 THR 58 1HG2 THR 58 2.356 -5.184 -5.783 394 2HG2 THR 58 2HG2 THR 58 3.433 -5.281 -7.178 395 3HG2 THR 58 3HG2 THR 58 2.454 -6.675 -6.720 396 H GLY 59 H GLY 59 0.533 -1.418 -7.672 397 1HA GLY 59 HA2 GLY 59 -1.144 -0.185 -8.822 398 2HA GLY 59 HA1 GLY 59 -1.232 -1.484 -10.013 399 H GLN 60 H GLN 60 -1.934 -3.678 -8.692 400 HA GLN 60 HA GLN 60 -4.672 -3.116 -7.867 401 1HB GLN 60 HB2 GLN 60 -3.195 -5.757 -7.716 402 2HB GLN 60 HB1 GLN 60 -4.940 -5.509 -7.783 403 1HG GLN 60 HG2 GLN 60 -4.563 -4.368 -10.033 404 2HG GLN 60 HG1 GLN 60 -2.914 -4.992 -9.969 405 1HE2 GLN 60 1HE2 GLN 60 -2.913 -6.729 -11.427 406 2HE2 GLN 60 2HE2 GLN 60 -4.040 -7.998 -11.408 407 H SER 61 H SER 61 -1.790 -2.906 -6.245 408 HA SER 61 HA SER 61 -2.985 -3.818 -3.664 409 1HB SER 61 HB2 SER 61 -0.100 -3.058 -4.166 410 2HB SER 61 HB1 SER 61 -0.756 -3.957 -2.802 411 HG SER 61 HG SER 61 -0.953 -4.832 -5.491 412 H ALA 62 H ALA 62 -3.555 -2.288 -2.173 413 HA ALA 62 HA ALA 62 -3.230 0.540 -2.882 414 1HB ALA 62 HB1 ALA 62 -4.494 -0.778 -0.459 415 2HB ALA 62 HB2 ALA 62 -5.347 -0.225 -1.900 416 3HB ALA 62 HB3 ALA 62 -4.571 0.943 -0.831 417 H ASP 63 H ASP 63 -2.274 -1.529 -0.121 418 HA ASP 63 HA ASP 63 -0.527 0.565 0.940 419 1HB ASP 63 HB2 ASP 63 -0.578 -2.364 1.716 420 2HB ASP 63 HB1 ASP 63 -0.008 -1.005 2.685 421 H CYS 64 H CYS 64 1.859 -0.192 1.433 422 HA CYS 64 HA CYS 64 2.924 -1.510 -1.032 423 1HB CYS 64 HB2 CYS 64 3.345 0.943 -1.009 424 2HB CYS 64 HB1 CYS 64 4.199 0.758 0.522 425 HA PRO 65 HA PRO 65 4.794 -4.216 1.867 426 1HB PRO 65 HB2 PRO 65 6.166 -5.642 -0.021 427 2HB PRO 65 HB1 PRO 65 4.450 -5.876 0.305 428 1HG PRO 65 HG2 PRO 65 5.782 -4.566 -2.010 429 2HG PRO 65 HG1 PRO 65 4.176 -5.312 -1.913 430 1HD PRO 65 HD2 PRO 65 4.738 -2.536 -1.847 431 2HD PRO 65 HD1 PRO 65 3.184 -3.308 -1.462 432 H ARG 66 H ARG 66 7.378 -5.292 1.376 433 HA ARG 66 HA ARG 66 9.130 -2.895 1.135 434 1HB ARG 66 HB2 ARG 66 10.406 -3.648 3.130 435 2HB ARG 66 HB1 ARG 66 8.741 -3.228 3.534 436 1HG ARG 66 HG2 ARG 66 8.096 -5.585 3.490 437 2HG ARG 66 HG1 ARG 66 9.723 -6.045 2.986 438 1HD ARG 66 HD2 ARG 66 9.293 -6.324 5.458 439 2HD ARG 66 HD1 ARG 66 10.664 -5.281 5.075 440 HE ARG 66 HE ARG 66 7.979 -4.135 5.725 441 1HH1 ARG 66 1HH1 ARG 66 10.647 -2.684 4.911 442 2HH1 ARG 66 2HH1 ARG 66 11.109 -2.050 6.456 443 1HH2 ARG 66 1HH2 ARG 66 8.890 -4.037 8.233 444 2HH2 ARG 66 2HH2 ARG 66 10.115 -2.816 8.336 445 H TYR 67 H TYR 67 10.856 -3.326 -0.156 446 HA TYR 67 HA TYR 67 11.206 -5.976 -1.284 447 1HB TYR 67 HB2 TYR 67 12.211 -3.288 -1.766 448 2HB TYR 67 HB1 TYR 67 13.499 -4.487 -1.882 449 HD1 TYR 67 HD1 TYR 67 12.617 -6.787 -3.078 450 HD2 TYR 67 HD2 TYR 67 11.099 -2.826 -3.752 451 HE1 TYR 67 HE1 TYR 67 11.765 -7.493 -5.298 452 HE2 TYR 67 HE2 TYR 67 10.246 -3.530 -5.972 453 HH TYR 67 HH TYR 67 11.125 -6.533 -7.409 454 H HIS 68 H HIS 68 13.294 -3.924 0.782 455 HA HIS 68 HA HIS 68 14.432 -6.441 1.908 456 1HB HIS 68 HB2 HIS 68 15.890 -5.159 0.132 457 2HB HIS 68 HB1 HIS 68 16.190 -4.045 1.466 458 HD1 HIS 68 HD1 HIS 68 18.444 -5.880 0.307 459 HD2 HIS 68 HD2 HIS 68 16.122 -6.812 3.642 460 HE1 HIS 68 HE1 HIS 68 19.780 -7.549 1.667 Start of MODEL 14 1 1H GLY 1 HT1 GLY 1 -6.022 -12.058 1.711 2 2H GLY 1 HT2 GLY 1 -6.786 -10.811 0.846 3 3H GLY 1 HT3 GLY 1 -6.568 -12.335 0.130 4 1HA GLY 1 HA1 GLY 1 -8.873 -11.911 0.908 5 2HA GLY 1 HA2 GLY 1 -8.120 -13.355 1.586 6 H LYS 2 H LYS 2 -8.731 -9.912 2.260 7 HA LYS 2 HA LYS 2 -8.623 -10.593 5.172 8 1HB LYS 2 HB2 LYS 2 -7.581 -8.283 3.623 9 2HB LYS 2 HB1 LYS 2 -8.349 -7.896 5.164 10 1HG LYS 2 HG2 LYS 2 -6.394 -8.452 6.145 11 2HG LYS 2 HG1 LYS 2 -6.776 -10.125 5.739 12 1HD LYS 2 HD2 LYS 2 -5.104 -10.198 4.233 13 2HD LYS 2 HD1 LYS 2 -5.721 -8.759 3.421 14 1HE LYS 2 HE2 LYS 2 -4.441 -8.180 6.000 15 2HE LYS 2 HE1 LYS 2 -3.343 -8.890 4.815 16 1HZ LYS 2 HZ1 LYS 2 -3.269 -6.605 4.422 17 2HZ LYS 2 HZ2 LYS 2 -4.950 -6.419 4.577 18 3HZ LYS 2 HZ3 LYS 2 -4.299 -7.198 3.214 19 H GLU 3 H GLU 3 -9.898 -8.489 6.283 20 HA GLU 3 HA GLU 3 -12.502 -8.257 4.838 21 1HB GLU 3 HB2 GLU 3 -13.691 -8.645 6.963 22 2HB GLU 3 HB1 GLU 3 -12.695 -10.039 6.542 23 1HG GLU 3 HG2 GLU 3 -11.406 -9.793 8.381 24 2HG GLU 3 HG1 GLU 3 -11.221 -8.060 8.108 25 H CYS 4 H CYS 4 -9.990 -6.545 5.844 26 HA CYS 4 HA CYS 4 -11.707 -4.299 6.816 27 1HB CYS 4 HB2 CYS 4 -9.269 -5.428 7.937 28 2HB CYS 4 HB1 CYS 4 -9.089 -3.709 7.596 29 H ASP 5 H ASP 5 -11.960 -3.624 4.577 30 HA ASP 5 HA ASP 5 -9.684 -3.068 2.887 31 1HB ASP 5 HB2 ASP 5 -12.548 -2.906 2.699 32 2HB ASP 5 HB1 ASP 5 -11.851 -1.380 2.156 33 H CYS 6 H CYS 6 -11.123 -1.422 5.541 34 HA CYS 6 HA CYS 6 -9.448 0.979 4.919 35 1HB CYS 6 HB2 CYS 6 -12.255 0.883 5.221 36 2HB CYS 6 HB1 CYS 6 -11.634 1.593 6.710 37 H SER 7 H SER 7 -9.223 2.270 7.166 38 HA SER 7 HA SER 7 -8.927 0.375 9.427 39 1HB SER 7 HB2 SER 7 -6.577 2.083 9.197 40 2HB SER 7 HB1 SER 7 -6.671 0.340 9.432 41 HG SER 7 HG SER 7 -7.028 0.141 7.186 42 H SER 8 H SER 8 -10.446 2.938 8.592 43 HA SER 8 HA SER 8 -10.116 4.254 11.214 44 1HB SER 8 HB2 SER 8 -10.240 6.151 8.938 45 2HB SER 8 HB1 SER 8 -9.374 6.284 10.466 46 HG SER 8 HG SER 8 -8.039 5.972 8.554 47 HA PRO 9 HA PRO 9 -14.487 4.478 10.598 48 1HB PRO 9 HB2 PRO 9 -15.048 6.024 12.800 49 2HB PRO 9 HB1 PRO 9 -14.673 4.295 12.891 50 1HG PRO 9 HG2 PRO 9 -12.966 6.627 13.624 51 2HG PRO 9 HG1 PRO 9 -12.919 4.966 14.237 52 1HD PRO 9 HD2 PRO 9 -11.152 6.081 12.322 53 2HD PRO 9 HD1 PRO 9 -11.322 4.356 12.711 54 H GLU 10 H GLU 10 -12.331 7.057 10.296 55 HA GLU 10 HA GLU 10 -14.457 9.065 9.778 56 1HB GLU 10 HB2 GLU 10 -11.749 9.179 10.721 57 2HB GLU 10 HB1 GLU 10 -11.865 10.109 9.227 58 1HG GLU 10 HG2 GLU 10 -13.218 11.688 10.163 59 2HG GLU 10 HG1 GLU 10 -14.100 10.501 11.126 60 H ASN 11 H ASN 11 -13.193 6.624 8.075 61 HA ASN 11 HA ASN 11 -12.557 8.094 5.605 62 1HB ASN 11 HB2 ASN 11 -11.509 5.846 6.470 63 2HB ASN 11 HB1 ASN 11 -12.938 5.119 5.736 64 1HD2 ASN 11 1HD2 ASN 11 -9.922 5.252 4.921 65 2HD2 ASN 11 2HD2 ASN 11 -9.984 5.715 3.288 66 HA PRO 12 HA PRO 12 -16.905 7.877 4.542 67 1HB PRO 12 HB2 PRO 12 -16.683 9.497 2.333 68 2HB PRO 12 HB1 PRO 12 -16.781 10.112 3.993 69 1HG PRO 12 HG2 PRO 12 -14.414 9.953 2.188 70 2HG PRO 12 HG1 PRO 12 -14.729 11.065 3.531 71 1HD PRO 12 HD2 PRO 12 -13.038 8.794 3.617 72 2HD PRO 12 HD1 PRO 12 -13.615 9.724 5.017 73 H CYS 13 H CYS 13 -14.171 6.750 2.840 74 HA CYS 13 HA CYS 13 -15.780 5.658 0.597 75 1HB CYS 13 HB2 CYS 13 -13.138 6.591 0.810 76 2HB CYS 13 HB1 CYS 13 -12.993 4.842 0.640 77 H CYS 14 H CYS 14 -15.548 4.759 3.627 78 HA CYS 14 HA CYS 14 -15.568 1.874 2.940 79 1HB CYS 14 HB2 CYS 14 -14.089 2.630 5.425 80 2HB CYS 14 HB1 CYS 14 -13.883 1.227 4.378 81 H ASP 15 H ASP 15 -16.308 0.588 4.928 82 HA ASP 15 HA ASP 15 -18.488 2.123 6.261 83 1HB ASP 15 HB2 ASP 15 -18.916 0.002 4.825 84 2HB ASP 15 HB1 ASP 15 -18.237 -0.882 6.188 85 H ALA 16 H ALA 16 -18.109 2.647 8.353 86 HA ALA 16 HA ALA 16 -15.855 1.625 9.827 87 1HB ALA 16 HB1 ALA 16 -18.296 3.058 10.913 88 2HB ALA 16 HB2 ALA 16 -16.909 3.874 10.191 89 3HB ALA 16 HB3 ALA 16 -16.711 2.946 11.678 90 H ALA 17 H ALA 17 -19.032 0.429 9.318 91 HA ALA 17 HA ALA 17 -19.140 -1.102 11.819 92 1HB ALA 17 HB1 ALA 17 -20.945 -2.105 9.818 93 2HB ALA 17 HB2 ALA 17 -20.995 -0.342 9.805 94 3HB ALA 17 HB3 ALA 17 -21.325 -1.223 11.297 95 H THR 18 H THR 18 -18.624 -1.817 8.359 96 HA THR 18 HA THR 18 -17.771 -4.563 9.122 97 HB THR 18 HB THR 18 -18.009 -5.131 6.793 98 HG1 THR 18 HG1 THR 18 -18.837 -3.128 5.521 99 1HG2 THR 18 1HG2 THR 18 -20.206 -5.261 7.276 100 2HG2 THR 18 2HG2 THR 18 -20.381 -3.670 6.535 101 3HG2 THR 18 3HG2 THR 18 -20.131 -3.810 8.275 102 H CYS 19 H CYS 19 -16.401 -1.559 8.692 103 HA CYS 19 HA CYS 19 -14.188 -0.857 8.313 104 1HB CYS 19 HB2 CYS 19 -13.724 -2.503 10.094 105 2HB CYS 19 HB1 CYS 19 -13.658 -3.791 8.894 106 H LYS 20 H LYS 20 -15.745 -1.563 6.006 107 HA LYS 20 HA LYS 20 -13.519 -2.435 4.217 108 1HB LYS 20 HB2 LYS 20 -16.180 -3.685 4.577 109 2HB LYS 20 HB1 LYS 20 -15.655 -3.476 2.907 110 1HG LYS 20 HG2 LYS 20 -13.778 -4.844 3.191 111 2HG LYS 20 HG1 LYS 20 -13.761 -4.622 4.940 112 1HD LYS 20 HD2 LYS 20 -14.560 -6.875 4.383 113 2HD LYS 20 HD1 LYS 20 -15.861 -5.932 5.111 114 1HE LYS 20 HE2 LYS 20 -15.631 -5.752 2.159 115 2HE LYS 20 HE1 LYS 20 -16.153 -7.311 2.796 116 1HZ LYS 20 HZ1 LYS 20 -17.451 -5.152 4.119 117 2HZ LYS 20 HZ2 LYS 20 -18.129 -6.482 3.307 118 3HZ LYS 20 HZ3 LYS 20 -17.709 -5.080 2.443 119 H LEU 21 H LEU 21 -14.555 -2.123 1.779 120 HA LEU 21 HA LEU 21 -14.935 0.752 1.575 121 1HB LEU 21 HB2 LEU 21 -14.752 -1.532 -0.360 122 2HB LEU 21 HB1 LEU 21 -15.406 0.007 -0.921 123 HG LEU 21 HG LEU 21 -13.018 0.430 0.669 124 1HD1 LEU 21 1HD1 LEU 21 -12.799 -1.960 -0.533 125 2HD1 LEU 21 2HD1 LEU 21 -11.435 -0.850 -0.395 126 3HD1 LEU 21 3HD1 LEU 21 -12.356 -0.931 -1.896 127 1HD2 LEU 21 1HD2 LEU 21 -13.762 0.962 -2.223 128 2HD2 LEU 21 2HD2 LEU 21 -12.338 1.621 -1.418 129 3HD2 LEU 21 3HD2 LEU 21 -13.950 2.079 -0.872 130 H ARG 22 H ARG 22 -16.847 1.849 1.368 131 HA ARG 22 HA ARG 22 -19.334 0.322 1.706 132 1HB ARG 22 HB2 ARG 22 -18.445 2.981 2.300 133 2HB ARG 22 HB1 ARG 22 -19.888 3.081 1.291 134 1HG ARG 22 HG2 ARG 22 -19.703 1.290 3.723 135 2HG ARG 22 HG1 ARG 22 -20.329 2.937 3.791 136 1HD ARG 22 HD2 ARG 22 -21.899 2.212 1.868 137 2HD ARG 22 HD1 ARG 22 -21.459 0.563 2.312 138 HE ARG 22 HE ARG 22 -23.007 0.804 4.059 139 1HH1 ARG 22 1HH1 ARG 22 -24.190 3.338 3.162 140 2HH1 ARG 22 2HH1 ARG 22 -23.838 4.423 4.465 141 1HH2 ARG 22 1HH2 ARG 22 -21.375 2.401 5.832 142 2HH2 ARG 22 2HH2 ARG 22 -22.241 3.893 5.976 143 HA PRO 23 HA PRO 23 -20.305 2.301 -2.517 144 1HB PRO 23 HB2 PRO 23 -18.344 3.799 -3.727 145 2HB PRO 23 HB1 PRO 23 -19.546 4.477 -2.616 146 1HG PRO 23 HG2 PRO 23 -16.656 3.924 -2.142 147 2HG PRO 23 HG1 PRO 23 -17.715 5.108 -1.359 148 1HD PRO 23 HD2 PRO 23 -16.911 2.616 -0.278 149 2HD PRO 23 HD1 PRO 23 -18.197 3.667 0.352 150 H GLY 24 H GLY 24 -18.870 2.372 -4.922 151 1HA GLY 24 HA2 GLY 24 -17.881 -0.411 -5.054 152 2HA GLY 24 HA1 GLY 24 -18.262 0.616 -6.437 153 H ALA 25 H ALA 25 -16.337 1.884 -3.831 154 HA ALA 25 HA ALA 25 -14.157 2.540 -5.599 155 1HB ALA 25 HB1 ALA 25 -13.007 2.980 -3.277 156 2HB ALA 25 HB2 ALA 25 -14.624 2.695 -2.632 157 3HB ALA 25 HB3 ALA 25 -14.351 4.004 -3.782 158 H GLN 26 H GLN 26 -11.969 1.678 -5.507 159 HA GLN 26 HA GLN 26 -11.953 -1.223 -4.968 160 1HB GLN 26 HB2 GLN 26 -10.797 0.348 -6.927 161 2HB GLN 26 HB1 GLN 26 -9.439 0.011 -5.852 162 1HG GLN 26 HG2 GLN 26 -9.412 -2.205 -6.370 163 2HG GLN 26 HG1 GLN 26 -11.172 -2.313 -6.423 164 1HE2 GLN 26 1HE2 GLN 26 -11.692 -3.042 -8.498 165 2HE2 GLN 26 2HE2 GLN 26 -11.059 -2.398 -9.935 166 H CYS 27 H CYS 27 -10.690 1.742 -3.609 167 HA CYS 27 HA CYS 27 -9.765 0.264 -1.252 168 1HB CYS 27 HB2 CYS 27 -7.481 1.442 -1.416 169 2HB CYS 27 HB1 CYS 27 -7.738 0.046 -2.462 170 H GLY 28 H GLY 28 -10.120 1.498 0.523 171 1HA GLY 28 HA2 GLY 28 -10.901 4.323 0.112 172 2HA GLY 28 HA1 GLY 28 -11.181 3.382 1.572 173 H GLU 29 H GLU 29 -8.196 2.501 1.030 174 HA GLU 29 HA GLU 29 -6.663 4.890 1.601 175 1HB GLU 29 HB2 GLU 29 -6.164 4.500 3.911 176 2HB GLU 29 HB1 GLU 29 -7.918 4.446 3.770 177 1HG GLU 29 HG2 GLU 29 -7.750 2.454 4.841 178 2HG GLU 29 HG1 GLU 29 -7.232 1.831 3.274 179 H GLY 30 H GLY 30 -4.379 4.405 1.666 180 1HA GLY 30 HA2 GLY 30 -3.073 2.006 1.966 181 2HA GLY 30 HA1 GLY 30 -3.707 1.897 0.324 182 H LEU 31 H LEU 31 -0.967 1.900 0.703 183 HA LEU 31 HA LEU 31 0.236 4.507 0.604 184 1HB LEU 31 HB2 LEU 31 1.082 1.717 0.158 185 2HB LEU 31 HB1 LEU 31 1.979 2.909 -0.783 186 HG LEU 31 HG LEU 31 2.973 2.446 1.483 187 1HD1 LEU 31 1HD1 LEU 31 3.325 4.592 0.257 188 2HD1 LEU 31 2HD1 LEU 31 3.357 4.800 2.008 189 3HD1 LEU 31 3HD1 LEU 31 1.925 5.266 1.092 190 1HD2 LEU 31 1HD2 LEU 31 0.967 2.101 2.785 191 2HD2 LEU 31 2HD2 LEU 31 0.352 3.697 2.354 192 3HD2 LEU 31 3HD2 LEU 31 1.756 3.549 3.410 193 H CYS 32 H CYS 32 -1.365 2.545 -1.806 194 HA CYS 32 HA CYS 32 -0.784 4.694 -3.789 195 1HB CYS 32 HB2 CYS 32 -0.827 1.752 -4.498 196 2HB CYS 32 HB1 CYS 32 -0.366 3.103 -5.536 197 H CYS 33 H CYS 33 -3.043 5.181 -2.823 198 HA CYS 33 HA CYS 33 -5.052 3.866 -4.593 199 1HB CYS 33 HB2 CYS 33 -5.339 2.945 -2.309 200 2HB CYS 33 HB1 CYS 33 -5.503 4.580 -1.672 201 H GLU 34 H GLU 34 -5.665 5.483 -5.946 202 HA GLU 34 HA GLU 34 -5.988 8.217 -4.772 203 1HB GLU 34 HB2 GLU 34 -5.557 7.677 -7.707 204 2HB GLU 34 HB1 GLU 34 -5.267 9.166 -6.807 205 1HG GLU 34 HG2 GLU 34 -3.699 7.096 -5.613 206 2HG GLU 34 HG1 GLU 34 -3.422 7.056 -7.355 207 H GLN 35 H GLN 35 -7.949 9.215 -5.059 208 HA GLN 35 HA GLN 35 -10.214 9.440 -5.608 209 1HB GLN 35 HB2 GLN 35 -8.958 8.246 -8.021 210 2HB GLN 35 HB1 GLN 35 -10.716 8.127 -7.914 211 1HG GLN 35 HG2 GLN 35 -9.649 10.770 -7.173 212 2HG GLN 35 HG1 GLN 35 -9.361 10.324 -8.855 213 1HE2 GLN 35 1HE2 GLN 35 -11.286 9.823 -10.200 214 2HE2 GLN 35 2HE2 GLN 35 -12.817 10.399 -9.747 215 H CYS 36 H CYS 36 -9.259 7.145 -3.995 216 HA CYS 36 HA CYS 36 -10.188 5.212 -3.041 217 1HB CYS 36 HB2 CYS 36 -12.541 6.445 -4.460 218 2HB CYS 36 HB1 CYS 36 -12.699 4.877 -3.672 219 H LYS 37 H LYS 37 -8.830 5.122 -5.675 220 HA LYS 37 HA LYS 37 -10.070 2.587 -6.661 221 1HB LYS 37 HB2 LYS 37 -8.814 4.797 -8.315 222 2HB LYS 37 HB1 LYS 37 -9.313 3.230 -8.950 223 1HG LYS 37 HG2 LYS 37 -11.625 3.660 -8.347 224 2HG LYS 37 HG1 LYS 37 -11.173 5.160 -7.536 225 1HD LYS 37 HD2 LYS 37 -10.696 6.258 -9.551 226 2HD LYS 37 HD1 LYS 37 -10.481 4.746 -10.434 227 1HE LYS 37 HE2 LYS 37 -12.663 6.055 -10.858 228 2HE LYS 37 HE1 LYS 37 -12.809 4.331 -10.521 229 1HZ LYS 37 HZ1 LYS 37 -13.478 4.744 -8.337 230 2HZ LYS 37 HZ2 LYS 37 -14.331 5.892 -9.256 231 3HZ LYS 37 HZ3 LYS 37 -12.955 6.356 -8.373 232 H PHE 38 H PHE 38 -8.487 1.122 -7.679 233 HA PHE 38 HA PHE 38 -6.052 0.915 -6.150 234 1HB PHE 38 HB2 PHE 38 -7.206 -0.521 -8.525 235 2HB PHE 38 HB1 PHE 38 -5.528 -0.799 -8.082 236 HD1 PHE 38 HD2 PHE 38 -7.361 0.083 -5.177 237 HD2 PHE 38 HD1 PHE 38 -6.621 -3.202 -7.847 238 HE1 PHE 38 HE2 PHE 38 -8.075 -1.510 -3.421 239 HE2 PHE 38 HE1 PHE 38 -7.342 -4.791 -6.087 240 HZ PHE 38 HZ PHE 38 -8.069 -3.945 -3.873 241 H SER 39 H SER 39 -4.180 2.002 -6.511 242 HA SER 39 HA SER 39 -3.805 3.823 -8.667 243 1HB SER 39 HB2 SER 39 -1.524 4.004 -7.904 244 2HB SER 39 HB1 SER 39 -2.523 3.774 -6.473 245 HG SER 39 HG SER 39 -2.025 1.499 -6.684 246 H ARG 40 H ARG 40 -1.186 3.066 -9.628 247 HA ARG 40 HA ARG 40 -1.900 0.639 -11.223 248 1HB ARG 40 HB2 ARG 40 -1.109 3.340 -12.081 249 2HB ARG 40 HB1 ARG 40 -0.152 2.059 -12.826 250 1HG ARG 40 HG2 ARG 40 -1.959 1.161 -13.936 251 2HG ARG 40 HG1 ARG 40 -3.105 1.657 -12.689 252 1HD ARG 40 HD2 ARG 40 -1.809 3.923 -14.024 253 2HD ARG 40 HD1 ARG 40 -2.753 2.920 -15.124 254 HE ARG 40 HE ARG 40 -4.054 3.772 -12.599 255 1HH1 ARG 40 1HH2 ARG 40 -5.695 2.661 -14.774 256 2HH1 ARG 40 2HH2 ARG 40 -6.289 4.074 -15.581 257 1HH2 ARG 40 1HH1 ARG 40 -3.938 6.197 -14.168 258 2HH2 ARG 40 2HH1 ARG 40 -5.295 6.076 -15.237 259 H ALA 41 H ALA 41 -0.168 -0.804 -11.645 260 HA ALA 41 HA ALA 41 1.822 -1.113 -9.695 261 1HB ALA 41 HB1 ALA 41 2.432 -1.954 -12.506 262 2HB ALA 41 HB2 ALA 41 1.037 -2.669 -11.698 263 3HB ALA 41 HB3 ALA 41 2.647 -2.848 -11.000 264 H GLY 42 H GLY 42 4.230 -0.914 -10.014 265 1HA GLY 42 HA2 GLY 42 6.131 0.374 -10.538 266 2HA GLY 42 HA1 GLY 42 5.249 0.997 -11.934 267 H LYS 43 H LYS 43 3.720 1.216 -8.833 268 HA LYS 43 HA LYS 43 4.017 4.175 -8.962 269 1HB LYS 43 HB2 LYS 43 1.736 3.523 -8.755 270 2HB LYS 43 HB1 LYS 43 2.110 2.341 -7.503 271 1HG LYS 43 HG2 LYS 43 1.098 4.368 -6.523 272 2HG LYS 43 HG1 LYS 43 2.762 4.165 -5.972 273 1HD LYS 43 HD2 LYS 43 3.561 5.820 -7.525 274 2HD LYS 43 HD1 LYS 43 1.998 5.892 -8.339 275 1HE LYS 43 HE2 LYS 43 0.961 6.961 -6.490 276 2HE LYS 43 HE1 LYS 43 2.290 6.550 -5.406 277 1HZ LYS 43 HZ1 LYS 43 3.474 7.948 -7.425 278 2HZ LYS 43 HZ2 LYS 43 3.090 8.552 -5.884 279 3HZ LYS 43 HZ3 LYS 43 2.014 8.774 -7.181 280 H ILE 44 H ILE 44 5.630 5.029 -7.765 281 HA ILE 44 HA ILE 44 7.210 3.699 -5.870 282 HB ILE 44 HB ILE 44 7.813 5.878 -6.859 283 1HG1 ILE 44 2HG1 ILE 44 8.586 6.975 -4.721 284 2HG1 ILE 44 1HG1 ILE 44 7.614 5.802 -3.833 285 1HG2 ILE 44 1HG2 ILE 44 6.049 7.306 -4.918 286 2HG2 ILE 44 2HG2 ILE 44 5.293 6.651 -6.371 287 3HG2 ILE 44 3HG2 ILE 44 6.609 7.816 -6.511 288 1HD1 ILE 44 1HD1 ILE 44 9.394 4.631 -5.878 289 2HD1 ILE 44 2HD1 ILE 44 9.075 4.104 -4.225 290 3HD1 ILE 44 3HD1 ILE 44 10.226 5.404 -4.529 291 H CYS 45 H CYS 45 6.544 2.762 -4.004 292 HA CYS 45 HA CYS 45 4.392 4.131 -2.440 293 1HB CYS 45 HB2 CYS 45 4.209 1.792 -1.341 294 2HB CYS 45 HB1 CYS 45 3.562 1.996 -2.965 295 H ARG 46 H ARG 46 7.684 3.153 -2.456 296 HA ARG 46 HA ARG 46 7.989 4.214 0.293 297 1HB ARG 46 HB2 ARG 46 7.882 1.520 0.017 298 2HB ARG 46 HB1 ARG 46 9.597 1.786 -0.302 299 1HG ARG 46 HG2 ARG 46 10.012 2.598 1.826 300 2HG ARG 46 HG1 ARG 46 8.365 3.192 2.033 301 1HD ARG 46 HD2 ARG 46 8.854 0.238 1.799 302 2HD ARG 46 HD1 ARG 46 9.134 1.049 3.340 303 HE ARG 46 HE ARG 46 6.576 0.342 2.357 304 1HH1 ARG 46 1HH1 ARG 46 8.299 2.654 4.186 305 2HH1 ARG 46 2HH1 ARG 46 6.897 3.578 4.613 306 1HH2 ARG 46 1HH2 ARG 46 4.738 1.710 2.648 307 2HH2 ARG 46 2HH2 ARG 46 4.883 3.044 3.743 308 H ILE 47 H ILE 47 10.293 4.733 0.736 309 HA ILE 47 HA ILE 47 11.690 5.369 -1.821 310 HB ILE 47 HB ILE 47 10.885 6.997 0.354 311 1HG1 ILE 47 2HG1 ILE 47 12.393 7.309 -2.221 312 2HG1 ILE 47 1HG1 ILE 47 10.804 7.919 -1.774 313 1HG2 ILE 47 1HG2 ILE 47 12.907 6.417 1.572 314 2HG2 ILE 47 2HG2 ILE 47 13.054 8.067 0.970 315 3HG2 ILE 47 3HG2 ILE 47 13.901 6.753 0.156 316 1HD1 ILE 47 1HD1 ILE 47 12.229 9.822 -1.801 317 2HD1 ILE 47 2HD1 ILE 47 13.501 8.975 -0.922 318 3HD1 ILE 47 3HD1 ILE 47 12.008 9.424 -0.097 319 HA PRO 48 HA PRO 48 15.146 3.010 -0.525 320 1HB PRO 48 HB2 PRO 48 17.193 4.456 -1.655 321 2HB PRO 48 HB1 PRO 48 16.070 3.455 -2.591 322 1HG PRO 48 HG2 PRO 48 16.193 6.419 -2.369 323 2HG PRO 48 HG1 PRO 48 15.542 5.417 -3.676 324 1HD PRO 48 HD2 PRO 48 14.037 6.755 -1.680 325 2HD PRO 48 HD1 PRO 48 13.423 5.537 -2.817 326 H ARG 49 H ARG 49 16.823 2.940 1.062 327 HA ARG 49 HA ARG 49 17.226 5.484 2.583 328 1HB ARG 49 HB2 ARG 49 15.968 3.186 3.508 329 2HB ARG 49 HB1 ARG 49 17.612 3.031 4.132 330 1HG ARG 49 HG2 ARG 49 16.461 4.278 5.791 331 2HG ARG 49 HG1 ARG 49 17.374 5.482 4.881 332 1HD ARG 49 HD2 ARG 49 15.111 5.462 3.416 333 2HD ARG 49 HD1 ARG 49 14.438 5.007 4.982 334 HE ARG 49 HE ARG 49 15.880 7.557 4.422 335 1HH1 ARG 49 1HH2 ARG 49 12.900 7.094 5.204 336 2HH1 ARG 49 2HH2 ARG 49 12.936 7.636 6.848 337 1HH2 ARG 49 1HH1 ARG 49 16.396 7.574 7.072 338 2HH2 ARG 49 2HH1 ARG 49 14.916 7.911 7.906 339 H GLY 50 H GLY 50 18.882 4.405 0.424 340 1HA GLY 50 HA2 GLY 50 21.238 4.452 0.115 341 2HA GLY 50 HA1 GLY 50 21.439 4.407 1.866 342 H GLU 51 H GLU 51 19.493 2.130 -0.026 343 HA GLU 51 HA GLU 51 21.372 0.065 -0.368 344 1HB GLU 51 HB2 GLU 51 20.804 -1.399 1.600 345 2HB GLU 51 HB1 GLU 51 21.713 0.049 2.032 346 1HG GLU 51 HG2 GLU 51 19.337 1.117 2.352 347 2HG GLU 51 HG1 GLU 51 18.806 -0.561 2.484 348 H MET 52 H MET 52 18.086 0.980 0.382 349 HA MET 52 HA MET 52 17.089 -1.471 -0.984 350 1HB MET 52 HB2 MET 52 16.036 0.315 1.109 351 2HB MET 52 HB1 MET 52 14.851 -0.136 -0.119 352 1HG MET 52 HG2 MET 52 14.714 -2.242 0.675 353 2HG MET 52 HG1 MET 52 16.468 -2.418 0.677 354 1HE MET 52 HE1 MET 52 15.788 -3.970 2.292 355 2HE MET 52 HE2 MET 52 14.568 -3.635 3.519 356 3HE MET 52 HE3 MET 52 16.275 -3.630 3.958 357 HA PRO 53 HA PRO 53 16.144 0.964 -4.548 358 1HB PRO 53 HB2 PRO 53 14.422 -0.812 -5.739 359 2HB PRO 53 HB1 PRO 53 16.182 -1.016 -5.727 360 1HG PRO 53 HG2 PRO 53 14.112 -2.461 -4.136 361 2HG PRO 53 HG1 PRO 53 15.718 -3.007 -4.648 362 1HD PRO 53 HD2 PRO 53 15.032 -2.087 -2.063 363 2HD PRO 53 HD1 PRO 53 16.680 -2.307 -2.694 364 H ASP 54 H ASP 54 14.228 1.941 -5.650 365 HA ASP 54 HA ASP 54 12.280 2.932 -3.765 366 1HB ASP 54 HB2 ASP 54 12.093 3.001 -6.787 367 2HB ASP 54 HB1 ASP 54 11.348 4.120 -5.642 368 H ASP 55 H ASP 55 10.666 1.624 -2.990 369 HA ASP 55 HA ASP 55 9.776 -0.767 -4.312 370 1HB ASP 55 HB2 ASP 55 9.568 0.103 -1.791 371 2HB ASP 55 HB1 ASP 55 7.985 0.618 -2.368 372 H ARG 56 H ARG 56 7.825 -1.143 -5.481 373 HA ARG 56 HA ARG 56 6.309 1.295 -6.316 374 1HB ARG 56 HB2 ARG 56 7.048 -0.909 -8.244 375 2HB ARG 56 HB1 ARG 56 6.408 0.692 -8.611 376 1HG ARG 56 HG2 ARG 56 8.967 0.622 -7.104 377 2HG ARG 56 HG1 ARG 56 9.037 0.095 -8.784 378 1HD ARG 56 HD2 ARG 56 8.343 2.172 -9.603 379 2HD ARG 56 HD1 ARG 56 7.584 2.630 -8.078 380 HE ARG 56 HE ARG 56 9.912 2.906 -7.161 381 1HH1 ARG 56 1HH1 ARG 56 11.157 1.561 -9.642 382 2HH1 ARG 56 2HH1 ARG 56 11.819 2.943 -10.450 383 1HH2 ARG 56 1HH2 ARG 56 9.997 5.235 -8.594 384 2HH2 ARG 56 2HH2 ARG 56 11.163 5.022 -9.858 385 H CYS 57 H CYS 57 4.152 0.978 -5.969 386 HA CYS 57 HA CYS 57 3.048 -1.486 -5.076 387 1HB CYS 57 HB2 CYS 57 1.829 1.003 -6.265 388 2HB CYS 57 HB1 CYS 57 0.827 -0.397 -5.893 389 H THR 58 H THR 58 1.434 -2.832 -6.295 390 HA THR 58 HA THR 58 2.427 -3.292 -9.055 391 HB THR 58 HB THR 58 1.404 -5.491 -8.866 392 HG1 THR 58 HG1 THR 58 -0.238 -5.697 -7.605 393 1HG2 THR 58 1HG2 THR 58 3.501 -5.643 -7.895 394 2HG2 THR 58 2HG2 THR 58 2.490 -6.129 -6.535 395 3HG2 THR 58 3HG2 THR 58 3.110 -4.482 -6.625 396 H GLY 59 H GLY 59 0.291 -1.246 -8.027 397 1HA GLY 59 HA2 GLY 59 -1.576 -0.261 -9.089 398 2HA GLY 59 HA1 GLY 59 -1.379 -1.438 -10.388 399 H GLN 60 H GLN 60 -1.834 -3.835 -9.340 400 HA GLN 60 HA GLN 60 -4.666 -3.827 -8.778 401 1HB GLN 60 HB2 GLN 60 -2.600 -6.040 -8.623 402 2HB GLN 60 HB1 GLN 60 -4.337 -6.293 -8.458 403 1HG GLN 60 HG2 GLN 60 -4.734 -5.467 -10.699 404 2HG GLN 60 HG1 GLN 60 -3.044 -4.989 -10.869 405 1HE2 GLN 60 1HE2 GLN 60 -1.787 -6.495 -11.967 406 2HE2 GLN 60 2HE2 GLN 60 -2.102 -8.161 -12.043 407 H SER 61 H SER 61 -2.065 -3.167 -6.791 408 HA SER 61 HA SER 61 -3.646 -3.981 -4.385 409 1HB SER 61 HB2 SER 61 -1.184 -5.026 -5.077 410 2HB SER 61 HB1 SER 61 -0.748 -3.725 -3.973 411 HG SER 61 HG SER 61 -2.889 -5.395 -3.301 412 H ALA 62 H ALA 62 -4.536 -1.920 -4.030 413 HA ALA 62 HA ALA 62 -3.377 0.584 -4.336 414 1HB ALA 62 HB1 ALA 62 -5.551 -0.518 -2.796 415 2HB ALA 62 HB2 ALA 62 -5.356 1.125 -3.404 416 3HB ALA 62 HB3 ALA 62 -4.696 0.682 -1.829 417 H ASP 63 H ASP 63 -2.863 -1.727 -1.700 418 HA ASP 63 HA ASP 63 -1.087 0.095 -0.252 419 1HB ASP 63 HB2 ASP 63 -1.483 -2.893 0.107 420 2HB ASP 63 HB1 ASP 63 -0.734 -1.787 1.260 421 H CYS 64 H CYS 64 1.178 -1.039 0.349 422 HA CYS 64 HA CYS 64 2.378 -1.927 -2.242 423 1HB CYS 64 HB2 CYS 64 3.063 0.354 -1.614 424 2HB CYS 64 HB1 CYS 64 3.660 -0.246 -0.070 425 HA PRO 65 HA PRO 65 3.403 -5.444 0.218 426 1HB PRO 65 HB2 PRO 65 4.333 -6.880 -1.916 427 2HB PRO 65 HB1 PRO 65 2.619 -6.720 -1.534 428 1HG PRO 65 HG2 PRO 65 4.190 -5.487 -3.729 429 2HG PRO 65 HG1 PRO 65 2.446 -5.776 -3.625 430 1HD PRO 65 HD2 PRO 65 3.784 -3.298 -3.212 431 2HD PRO 65 HD1 PRO 65 2.070 -3.644 -2.900 432 H ARG 66 H ARG 66 5.731 -5.715 -2.388 433 HA ARG 66 HA ARG 66 7.909 -4.481 -0.853 434 1HB ARG 66 HB2 ARG 66 9.215 -6.703 -0.946 435 2HB ARG 66 HB1 ARG 66 7.967 -6.559 0.293 436 1HG ARG 66 HG2 ARG 66 7.030 -7.582 -2.321 437 2HG ARG 66 HG1 ARG 66 8.131 -8.649 -1.448 438 1HD ARG 66 HD2 ARG 66 6.622 -8.170 0.609 439 2HD ARG 66 HD1 ARG 66 5.445 -7.598 -0.572 440 HE ARG 66 HE ARG 66 5.917 -9.988 -1.629 441 1HH1 ARG 66 1HH2 ARG 66 5.095 -8.950 1.520 442 2HH1 ARG 66 2HH2 ARG 66 4.850 -10.548 2.142 443 1HH2 ARG 66 1HH1 ARG 66 5.902 -12.127 -0.759 444 2HH2 ARG 66 2HH1 ARG 66 5.310 -12.345 0.854 445 H TYR 67 H TYR 67 10.092 -5.283 -2.125 446 HA TYR 67 HA TYR 67 9.467 -4.784 -5.000 447 1HB TYR 67 HB2 TYR 67 11.960 -4.169 -5.063 448 2HB TYR 67 HB1 TYR 67 10.901 -3.073 -4.177 449 HD1 TYR 67 HD1 TYR 67 12.900 -6.199 -3.591 450 HD2 TYR 67 HD2 TYR 67 11.539 -2.435 -2.033 451 HE1 TYR 67 HE1 TYR 67 14.230 -6.571 -1.530 452 HE2 TYR 67 HE2 TYR 67 12.868 -2.806 0.027 453 HH TYR 67 HH TYR 67 14.162 -4.216 1.148 454 H HIS 68 H HIS 68 10.036 -7.346 -3.062 455 HA HIS 68 HA HIS 68 12.054 -8.703 -4.715 456 1HB HIS 68 HB2 HIS 68 11.497 -8.979 -2.127 457 2HB HIS 68 HB1 HIS 68 10.348 -10.168 -2.741 458 HD1 HIS 68 HD1 HIS 68 13.987 -9.555 -2.258 459 HD2 HIS 68 HD2 HIS 68 11.571 -12.384 -4.138 460 HE1 HIS 68 HE1 HIS 68 15.482 -11.525 -2.803 Start of MODEL 15 1 1H GLY 1 HT1 GLY 1 -7.349 -12.141 5.968 2 2H GLY 1 HT2 GLY 1 -7.497 -13.780 6.387 3 3H GLY 1 HT3 GLY 1 -6.880 -12.667 7.511 4 1HA GLY 1 HA1 GLY 1 -9.550 -13.431 7.089 5 2HA GLY 1 HA2 GLY 1 -8.905 -12.322 8.299 6 H LYS 2 H LYS 2 -10.949 -12.521 5.664 7 HA LYS 2 HA LYS 2 -10.507 -9.720 4.792 8 1HB LYS 2 HB2 LYS 2 -10.948 -11.533 3.107 9 2HB LYS 2 HB1 LYS 2 -12.556 -11.729 3.806 10 1HG LYS 2 HG2 LYS 2 -12.915 -10.250 2.003 11 2HG LYS 2 HG1 LYS 2 -12.815 -9.180 3.402 12 1HD LYS 2 HD2 LYS 2 -11.204 -8.072 2.267 13 2HD LYS 2 HD1 LYS 2 -10.165 -9.458 2.605 14 1HE LYS 2 HE2 LYS 2 -12.018 -9.740 0.299 15 2HE LYS 2 HE1 LYS 2 -10.686 -8.602 0.096 16 1HZ LYS 2 HZ1 LYS 2 -9.959 -11.123 1.307 17 2HZ LYS 2 HZ2 LYS 2 -9.177 -10.236 0.088 18 3HZ LYS 2 HZ3 LYS 2 -10.490 -11.243 -0.299 19 H GLU 3 H GLU 3 -11.463 -8.217 6.093 20 HA GLU 3 HA GLU 3 -14.326 -8.383 6.602 21 1HB GLU 3 HB2 GLU 3 -12.897 -9.690 8.460 22 2HB GLU 3 HB1 GLU 3 -12.774 -8.058 9.116 23 1HG GLU 3 HG2 GLU 3 -15.255 -7.851 8.975 24 2HG GLU 3 HG1 GLU 3 -15.335 -9.528 8.432 25 H CYS 4 H CYS 4 -11.287 -6.733 7.367 26 HA CYS 4 HA CYS 4 -12.791 -4.172 7.085 27 1HB CYS 4 HB2 CYS 4 -12.284 -4.477 9.448 28 2HB CYS 4 HB1 CYS 4 -10.593 -4.801 9.071 29 H ASP 5 H ASP 5 -12.073 -3.282 5.210 30 HA ASP 5 HA ASP 5 -9.183 -3.573 4.512 31 1HB ASP 5 HB2 ASP 5 -11.462 -3.915 2.953 32 2HB ASP 5 HB1 ASP 5 -10.905 -2.300 2.511 33 H CYS 6 H CYS 6 -10.937 -1.542 6.259 34 HA CYS 6 HA CYS 6 -9.318 0.811 5.445 35 1HB CYS 6 HB2 CYS 6 -11.395 1.215 4.300 36 2HB CYS 6 HB1 CYS 6 -12.335 0.742 5.713 37 H SER 7 H SER 7 -8.218 1.252 7.309 38 HA SER 7 HA SER 7 -9.469 0.621 9.914 39 1HB SER 7 HB2 SER 7 -7.134 -0.057 9.543 40 2HB SER 7 HB1 SER 7 -6.689 1.619 9.232 41 HG SER 7 HG SER 7 -6.483 1.798 11.307 42 H SER 8 H SER 8 -10.417 2.921 8.263 43 HA SER 8 HA SER 8 -10.002 5.010 10.347 44 1HB SER 8 HB2 SER 8 -9.848 5.356 7.348 45 2HB SER 8 HB1 SER 8 -10.103 6.709 8.449 46 HG SER 8 HG SER 8 -8.048 6.660 8.831 47 HA PRO 9 HA PRO 9 -14.454 4.744 9.975 48 1HB PRO 9 HB2 PRO 9 -14.969 6.321 12.168 49 2HB PRO 9 HB1 PRO 9 -14.543 4.604 12.276 50 1HG PRO 9 HG2 PRO 9 -12.869 6.994 12.889 51 2HG PRO 9 HG1 PRO 9 -12.756 5.349 13.537 52 1HD PRO 9 HD2 PRO 9 -11.092 6.459 11.533 53 2HD PRO 9 HD1 PRO 9 -11.213 4.738 11.956 54 H GLU 10 H GLU 10 -12.659 7.770 10.510 55 HA GLU 10 HA GLU 10 -14.774 9.514 9.610 56 1HB GLU 10 HB2 GLU 10 -13.003 11.218 9.449 57 2HB GLU 10 HB1 GLU 10 -12.853 10.318 10.959 58 1HG GLU 10 HG2 GLU 10 -10.800 9.587 10.394 59 2HG GLU 10 HG1 GLU 10 -11.387 8.992 8.840 60 H ASN 11 H ASN 11 -12.414 7.532 8.018 61 HA ASN 11 HA ASN 11 -12.278 8.848 5.496 62 1HB ASN 11 HB2 ASN 11 -10.785 6.982 6.176 63 2HB ASN 11 HB1 ASN 11 -12.154 5.875 6.077 64 1HD2 ASN 11 1HD2 ASN 11 -10.815 4.758 4.349 65 2HD2 ASN 11 2HD2 ASN 11 -10.858 5.371 2.769 66 HA PRO 12 HA PRO 12 -16.549 8.032 4.399 67 1HB PRO 12 HB2 PRO 12 -16.509 9.596 2.140 68 2HB PRO 12 HB1 PRO 12 -16.710 10.245 3.776 69 1HG PRO 12 HG2 PRO 12 -14.317 10.341 2.002 70 2HG PRO 12 HG1 PRO 12 -14.793 11.444 3.303 71 1HD PRO 12 HD2 PRO 12 -12.822 9.418 3.481 72 2HD PRO 12 HD1 PRO 12 -13.534 10.306 4.844 73 H CYS 13 H CYS 13 -13.830 6.725 3.156 74 HA CYS 13 HA CYS 13 -15.072 5.754 0.636 75 1HB CYS 13 HB2 CYS 13 -12.574 6.608 0.975 76 2HB CYS 13 HB1 CYS 13 -12.327 4.948 1.493 77 H CYS 14 H CYS 14 -15.045 4.849 3.819 78 HA CYS 14 HA CYS 14 -15.448 2.002 3.046 79 1HB CYS 14 HB2 CYS 14 -14.293 1.492 5.343 80 2HB CYS 14 HB1 CYS 14 -13.294 1.787 3.920 81 H ASP 15 H ASP 15 -16.416 0.786 4.998 82 HA ASP 15 HA ASP 15 -18.405 2.577 6.336 83 1HB ASP 15 HB2 ASP 15 -19.104 0.787 4.517 84 2HB ASP 15 HB1 ASP 15 -18.915 -0.340 5.858 85 H ALA 16 H ALA 16 -18.303 2.546 8.535 86 HA ALA 16 HA ALA 16 -16.355 0.944 9.922 87 1HB ALA 16 HB1 ALA 16 -18.118 1.805 11.872 88 2HB ALA 16 HB2 ALA 16 -18.327 3.009 10.601 89 3HB ALA 16 HB3 ALA 16 -16.727 2.716 11.284 90 H ALA 17 H ALA 17 -19.781 0.537 9.240 91 HA ALA 17 HA ALA 17 -20.523 -1.372 11.151 92 1HB ALA 17 HB1 ALA 17 -21.659 -2.370 8.836 93 2HB ALA 17 HB2 ALA 17 -21.366 -0.681 8.422 94 3HB ALA 17 HB3 ALA 17 -22.347 -1.085 9.830 95 H THR 18 H THR 18 -19.091 -2.074 7.940 96 HA THR 18 HA THR 18 -18.254 -4.728 9.012 97 HB THR 18 HB THR 18 -19.595 -4.616 6.868 98 HG1 THR 18 HG1 THR 18 -18.436 -6.426 7.053 99 1HG2 THR 18 1HG2 THR 18 -18.615 -3.732 4.888 100 2HG2 THR 18 2HG2 THR 18 -17.040 -3.549 5.661 101 3HG2 THR 18 3HG2 THR 18 -18.377 -2.493 6.119 102 H CYS 19 H CYS 19 -17.069 -1.628 8.323 103 HA CYS 19 HA CYS 19 -14.876 -0.784 8.507 104 1HB CYS 19 HB2 CYS 19 -14.735 -2.896 10.099 105 2HB CYS 19 HB1 CYS 19 -13.767 -3.557 8.782 106 H LYS 20 H LYS 20 -16.145 -1.922 5.998 107 HA LYS 20 HA LYS 20 -13.590 -2.311 4.482 108 1HB LYS 20 HB2 LYS 20 -16.306 -3.512 3.867 109 2HB LYS 20 HB1 LYS 20 -14.848 -3.722 2.898 110 1HG LYS 20 HG2 LYS 20 -14.131 -4.371 5.560 111 2HG LYS 20 HG1 LYS 20 -15.670 -5.176 5.248 112 1HD LYS 20 HD2 LYS 20 -14.321 -5.638 2.903 113 2HD LYS 20 HD1 LYS 20 -13.011 -5.691 4.083 114 1HE LYS 20 HE2 LYS 20 -13.663 -7.831 4.440 115 2HE LYS 20 HE1 LYS 20 -14.997 -7.123 5.351 116 1HZ LYS 20 HZ1 LYS 20 -16.454 -7.435 3.644 117 2HZ LYS 20 HZ2 LYS 20 -15.433 -8.767 3.384 118 3HZ LYS 20 HZ3 LYS 20 -15.261 -7.363 2.442 119 H LEU 21 H LEU 21 -14.367 -2.001 1.940 120 HA LEU 21 HA LEU 21 -14.827 0.830 1.699 121 1HB LEU 21 HB2 LEU 21 -14.754 -1.443 -0.288 122 2HB LEU 21 HB1 LEU 21 -15.106 0.213 -0.786 123 HG LEU 21 HG LEU 21 -12.879 0.481 0.861 124 1HD1 LEU 21 1HD1 LEU 21 -12.901 -2.167 0.392 125 2HD1 LEU 21 2HD1 LEU 21 -11.402 -1.243 0.506 126 3HD1 LEU 21 3HD1 LEU 21 -12.078 -1.635 -1.075 127 1HD2 LEU 21 1HD2 LEU 21 -12.143 0.181 -1.929 128 2HD2 LEU 21 2HD2 LEU 21 -12.242 1.652 -0.960 129 3HD2 LEU 21 3HD2 LEU 21 -13.677 1.039 -1.782 130 H ARG 22 H ARG 22 -16.720 1.932 1.441 131 HA ARG 22 HA ARG 22 -19.225 0.399 1.635 132 1HB ARG 22 HB2 ARG 22 -18.390 2.857 2.620 133 2HB ARG 22 HB1 ARG 22 -19.505 3.289 1.323 134 1HG ARG 22 HG2 ARG 22 -20.551 1.069 2.862 135 2HG ARG 22 HG1 ARG 22 -20.189 2.438 3.914 136 1HD ARG 22 HD2 ARG 22 -21.564 3.913 2.601 137 2HD ARG 22 HD1 ARG 22 -21.755 2.699 1.336 138 HE ARG 22 HE ARG 22 -22.777 1.478 3.614 139 1HH1 ARG 22 1HH1 ARG 22 -24.130 2.786 1.046 140 2HH1 ARG 22 2HH1 ARG 22 -25.435 3.614 1.829 141 1HH2 ARG 22 1HH2 ARG 22 -24.103 3.252 5.010 142 2HH2 ARG 22 2HH2 ARG 22 -25.420 3.877 4.074 143 HA PRO 23 HA PRO 23 -19.993 2.619 -2.511 144 1HB PRO 23 HB2 PRO 23 -17.951 4.123 -3.569 145 2HB PRO 23 HB1 PRO 23 -19.174 4.771 -2.461 146 1HG PRO 23 HG2 PRO 23 -16.316 4.139 -1.931 147 2HG PRO 23 HG1 PRO 23 -17.389 5.270 -1.091 148 1HD PRO 23 HD2 PRO 23 -16.640 2.670 -0.209 149 2HD PRO 23 HD1 PRO 23 -17.886 3.714 0.510 150 H GLY 24 H GLY 24 -18.471 2.812 -4.859 151 1HA GLY 24 HA2 GLY 24 -17.637 0.006 -5.200 152 2HA GLY 24 HA1 GLY 24 -17.850 1.186 -6.491 153 H ALA 25 H ALA 25 -16.012 2.204 -3.749 154 HA ALA 25 HA ALA 25 -13.668 2.691 -5.350 155 1HB ALA 25 HB1 ALA 25 -12.602 3.103 -3.054 156 2HB ALA 25 HB2 ALA 25 -14.186 2.737 -2.370 157 3HB ALA 25 HB3 ALA 25 -13.992 4.110 -3.460 158 H GLN 26 H GLN 26 -11.746 1.498 -5.487 159 HA GLN 26 HA GLN 26 -11.971 -1.343 -4.789 160 1HB GLN 26 HB2 GLN 26 -10.493 0.234 -6.677 161 2HB GLN 26 HB1 GLN 26 -9.356 -0.718 -5.720 162 1HG GLN 26 HG2 GLN 26 -9.894 -2.292 -7.318 163 2HG GLN 26 HG1 GLN 26 -11.170 -2.623 -6.147 164 1HE2 GLN 26 1HE2 GLN 26 -10.804 -2.330 -9.380 165 2HE2 GLN 26 2HE2 GLN 26 -12.293 -1.635 -9.802 166 H CYS 27 H CYS 27 -10.681 1.487 -3.366 167 HA CYS 27 HA CYS 27 -9.612 -0.094 -1.137 168 1HB CYS 27 HB2 CYS 27 -7.581 -0.114 -2.281 169 2HB CYS 27 HB1 CYS 27 -7.883 1.430 -3.063 170 H GLY 28 H GLY 28 -10.248 0.963 0.673 171 1HA GLY 28 HA2 GLY 28 -11.449 3.567 0.527 172 2HA GLY 28 HA1 GLY 28 -11.146 2.673 2.012 173 H GLU 29 H GLU 29 -8.265 2.387 1.450 174 HA GLU 29 HA GLU 29 -7.135 5.043 1.163 175 1HB GLU 29 HB2 GLU 29 -8.245 4.996 3.501 176 2HB GLU 29 HB1 GLU 29 -6.944 3.891 3.947 177 1HG GLU 29 HG2 GLU 29 -5.727 5.749 4.377 178 2HG GLU 29 HG1 GLU 29 -5.606 5.922 2.626 179 H GLY 30 H GLY 30 -4.794 4.966 1.233 180 1HA GLY 30 HA2 GLY 30 -3.099 2.978 2.092 181 2HA GLY 30 HA1 GLY 30 -3.735 2.320 0.585 182 H LEU 31 H LEU 31 -0.989 2.991 0.961 183 HA LEU 31 HA LEU 31 -0.323 5.586 -0.056 184 1HB LEU 31 HB2 LEU 31 1.085 2.998 0.333 185 2HB LEU 31 HB1 LEU 31 1.781 4.087 -0.868 186 HG LEU 31 HG LEU 31 1.062 4.928 1.953 187 1HD1 LEU 31 1HD1 LEU 31 2.865 3.264 2.008 188 2HD1 LEU 31 2HD1 LEU 31 3.511 4.867 2.361 189 3HD1 LEU 31 3HD1 LEU 31 3.745 4.154 0.765 190 1HD2 LEU 31 1HD2 LEU 31 3.056 6.558 0.823 191 2HD2 LEU 31 2HD2 LEU 31 1.365 6.988 1.077 192 3HD2 LEU 31 3HD2 LEU 31 1.880 6.311 -0.468 193 H CYS 32 H CYS 32 -1.297 2.598 -1.614 194 HA CYS 32 HA CYS 32 -0.764 3.844 -4.273 195 1HB CYS 32 HB2 CYS 32 -1.574 0.972 -3.846 196 2HB CYS 32 HB1 CYS 32 -0.677 1.677 -5.191 197 H CYS 33 H CYS 33 -2.986 4.744 -2.717 198 HA CYS 33 HA CYS 33 -5.238 3.670 -4.369 199 1HB CYS 33 HB2 CYS 33 -5.377 4.703 -1.518 200 2HB CYS 33 HB1 CYS 33 -6.743 4.130 -2.475 201 H GLU 34 H GLU 34 -5.464 5.260 -5.898 202 HA GLU 34 HA GLU 34 -5.499 8.096 -4.959 203 1HB GLU 34 HB2 GLU 34 -4.887 6.819 -7.625 204 2HB GLU 34 HB1 GLU 34 -5.328 8.523 -7.514 205 1HG GLU 34 HG2 GLU 34 -3.492 8.592 -5.639 206 2HG GLU 34 HG1 GLU 34 -2.907 7.122 -6.418 207 H GLN 35 H GLN 35 -7.451 9.120 -4.969 208 HA GLN 35 HA GLN 35 -9.729 9.505 -5.375 209 1HB GLN 35 HB2 GLN 35 -8.594 9.047 -7.840 210 2HB GLN 35 HB1 GLN 35 -9.864 7.824 -7.793 211 1HG GLN 35 HG2 GLN 35 -11.136 9.573 -8.559 212 2HG GLN 35 HG1 GLN 35 -11.259 9.914 -6.833 213 1HE2 GLN 35 1HE2 GLN 35 -11.549 12.108 -8.467 214 2HE2 GLN 35 2HE2 GLN 35 -10.156 13.075 -8.438 215 H CYS 36 H CYS 36 -8.824 7.157 -3.862 216 HA CYS 36 HA CYS 36 -9.795 5.273 -2.859 217 1HB CYS 36 HB2 CYS 36 -12.123 6.631 -4.162 218 2HB CYS 36 HB1 CYS 36 -12.341 4.987 -3.565 219 H LYS 37 H LYS 37 -8.406 5.042 -5.399 220 HA LYS 37 HA LYS 37 -9.712 2.544 -6.373 221 1HB LYS 37 HB2 LYS 37 -9.160 4.985 -7.885 222 2HB LYS 37 HB1 LYS 37 -8.384 3.572 -8.599 223 1HG LYS 37 HG2 LYS 37 -10.702 2.422 -8.216 224 2HG LYS 37 HG1 LYS 37 -11.309 4.074 -8.113 225 1HD LYS 37 HD2 LYS 37 -10.688 4.577 -10.325 226 2HD LYS 37 HD1 LYS 37 -9.542 3.238 -10.404 227 1HE LYS 37 HE2 LYS 37 -11.290 2.311 -11.601 228 2HE LYS 37 HE1 LYS 37 -11.747 1.799 -9.975 229 1HZ LYS 37 HZ1 LYS 37 -13.407 3.331 -9.855 230 2HZ LYS 37 HZ2 LYS 37 -13.429 3.041 -11.528 231 3HZ LYS 37 HZ3 LYS 37 -12.653 4.422 -10.912 232 H PHE 38 H PHE 38 -8.161 0.989 -7.248 233 HA PHE 38 HA PHE 38 -5.676 0.942 -5.786 234 1HB PHE 38 HB2 PHE 38 -6.769 -0.730 -8.056 235 2HB PHE 38 HB1 PHE 38 -5.173 -1.016 -7.367 236 HD1 PHE 38 HD1 PHE 38 -5.649 -0.419 -4.502 237 HD2 PHE 38 HD2 PHE 38 -8.059 -2.562 -7.339 238 HE1 PHE 38 HE1 PHE 38 -6.681 -1.710 -2.653 239 HE2 PHE 38 HE2 PHE 38 -9.094 -3.849 -5.489 240 HZ PHE 38 HZ PHE 38 -8.404 -3.424 -3.146 241 H SER 39 H SER 39 -4.134 2.457 -6.290 242 HA SER 39 HA SER 39 -3.746 3.835 -8.673 243 1HB SER 39 HB2 SER 39 -1.996 3.050 -6.413 244 2HB SER 39 HB1 SER 39 -1.158 3.484 -7.901 245 HG SER 39 HG SER 39 -2.339 5.436 -7.899 246 H ARG 40 H ARG 40 -1.923 3.466 -10.312 247 HA ARG 40 HA ARG 40 -2.215 0.752 -11.386 248 1HB ARG 40 HB2 ARG 40 -1.920 3.192 -12.574 249 2HB ARG 40 HB1 ARG 40 -0.267 2.580 -12.653 250 1HG ARG 40 HG2 ARG 40 -1.761 0.370 -13.371 251 2HG ARG 40 HG1 ARG 40 -2.653 1.698 -14.116 252 1HD ARG 40 HD2 ARG 40 -0.330 2.516 -14.936 253 2HD ARG 40 HD1 ARG 40 0.215 0.883 -14.556 254 HE ARG 40 HE ARG 40 -2.183 0.885 -16.198 255 1HH1 ARG 40 1HH2 ARG 40 0.763 -0.485 -16.038 256 2HH1 ARG 40 2HH2 ARG 40 1.191 -0.302 -17.707 257 1HH2 ARG 40 1HH1 ARG 40 -1.435 1.853 -18.413 258 2HH2 ARG 40 2HH1 ARG 40 -0.054 1.028 -19.052 259 H ALA 41 H ALA 41 -0.550 -0.770 -11.555 260 HA ALA 41 HA ALA 41 1.384 -0.909 -9.514 261 1HB ALA 41 HB1 ALA 41 0.560 -2.684 -11.310 262 2HB ALA 41 HB2 ALA 41 2.148 -2.836 -10.559 263 3HB ALA 41 HB3 ALA 41 1.999 -2.142 -12.174 264 H GLY 42 H GLY 42 3.869 -1.029 -10.065 265 1HA GLY 42 HA2 GLY 42 5.798 0.132 -10.769 266 2HA GLY 42 HA1 GLY 42 4.840 0.789 -12.097 267 H LYS 43 H LYS 43 3.471 1.161 -8.967 268 HA LYS 43 HA LYS 43 3.983 4.086 -9.133 269 1HB LYS 43 HB2 LYS 43 1.670 3.543 -8.854 270 2HB LYS 43 HB1 LYS 43 2.024 2.414 -7.546 271 1HG LYS 43 HG2 LYS 43 1.151 4.560 -6.673 272 2HG LYS 43 HG1 LYS 43 2.807 4.273 -6.137 273 1HD LYS 43 HD2 LYS 43 2.366 6.619 -6.984 274 2HD LYS 43 HD1 LYS 43 3.688 5.779 -7.795 275 1HE LYS 43 HE2 LYS 43 2.312 5.264 -9.692 276 2HE LYS 43 HE1 LYS 43 0.852 5.786 -8.851 277 1HZ LYS 43 HZ1 LYS 43 1.682 8.031 -8.819 278 2HZ LYS 43 HZ2 LYS 43 1.679 7.454 -10.417 279 3HZ LYS 43 HZ3 LYS 43 3.136 7.551 -9.548 280 H ILE 44 H ILE 44 5.743 4.793 -8.038 281 HA ILE 44 HA ILE 44 7.149 3.351 -6.040 282 HB ILE 44 HB ILE 44 8.206 5.197 -7.206 283 1HG1 ILE 44 2HG1 ILE 44 8.951 6.582 -5.195 284 2HG1 ILE 44 1HG1 ILE 44 7.789 5.658 -4.242 285 1HG2 ILE 44 1HG2 ILE 44 6.922 7.414 -5.862 286 2HG2 ILE 44 2HG2 ILE 44 5.730 6.467 -6.753 287 3HG2 ILE 44 3HG2 ILE 44 7.129 7.137 -7.592 288 1HD1 ILE 44 1HD1 ILE 44 8.955 3.646 -4.530 289 2HD1 ILE 44 2HD1 ILE 44 10.263 4.818 -4.375 290 3HD1 ILE 44 3HD1 ILE 44 9.794 4.227 -5.968 291 H CYS 45 H CYS 45 6.670 2.994 -3.915 292 HA CYS 45 HA CYS 45 4.702 4.832 -2.609 293 1HB CYS 45 HB2 CYS 45 3.989 2.755 -1.309 294 2HB CYS 45 HB1 CYS 45 3.490 2.819 -2.999 295 H ARG 46 H ARG 46 7.850 3.797 -2.546 296 HA ARG 46 HA ARG 46 8.077 4.560 0.308 297 1HB ARG 46 HB2 ARG 46 8.077 1.885 -0.397 298 2HB ARG 46 HB1 ARG 46 9.796 2.277 -0.347 299 1HG ARG 46 HG2 ARG 46 9.764 2.308 1.900 300 2HG ARG 46 HG1 ARG 46 8.477 3.514 1.891 301 1HD ARG 46 HD2 ARG 46 7.166 1.178 1.161 302 2HD ARG 46 HD1 ARG 46 8.319 0.634 2.382 303 HE ARG 46 HE ARG 46 6.129 2.589 2.825 304 1HH1 ARG 46 1HH1 ARG 46 6.579 -0.038 4.322 305 2HH1 ARG 46 2HH1 ARG 46 7.208 0.545 5.827 306 1HH2 ARG 46 1HH2 ARG 46 7.920 3.711 4.607 307 2HH2 ARG 46 2HH2 ARG 46 7.970 2.667 5.987 308 H ILE 47 H ILE 47 10.863 3.692 0.410 309 HA ILE 47 HA ILE 47 12.091 6.025 -0.730 310 HB ILE 47 HB ILE 47 12.937 4.865 1.298 311 1HG1 ILE 47 2HG1 ILE 47 15.408 4.659 0.324 312 2HG1 ILE 47 1HG1 ILE 47 14.657 5.386 -1.098 313 1HG2 ILE 47 1HG2 ILE 47 14.312 2.808 -0.343 314 2HG2 ILE 47 2HG2 ILE 47 12.581 2.569 -0.099 315 3HG2 ILE 47 3HG2 ILE 47 13.659 2.694 1.292 316 1HD1 ILE 47 1HD1 ILE 47 15.615 7.053 0.546 317 2HD1 ILE 47 2HD1 ILE 47 14.385 6.525 1.696 318 3HD1 ILE 47 3HD1 ILE 47 13.905 7.287 0.180 319 HA PRO 48 HA PRO 48 12.735 4.288 -4.793 320 1HB PRO 48 HB2 PRO 48 13.970 6.515 -5.819 321 2HB PRO 48 HB1 PRO 48 12.216 6.371 -5.628 322 1HG PRO 48 HG2 PRO 48 14.153 7.951 -4.007 323 2HG PRO 48 HG1 PRO 48 12.423 8.228 -4.274 324 1HD PRO 48 HD2 PRO 48 13.588 7.077 -1.962 325 2HD PRO 48 HD1 PRO 48 11.862 7.081 -2.371 326 H ARG 49 H ARG 49 15.365 6.242 -3.331 327 HA ARG 49 HA ARG 49 17.310 4.246 -4.398 328 1HB ARG 49 HB2 ARG 49 17.759 7.109 -3.502 329 2HB ARG 49 HB1 ARG 49 19.007 6.028 -4.123 330 1HG ARG 49 HG2 ARG 49 18.446 7.088 -6.091 331 2HG ARG 49 HG1 ARG 49 17.249 5.792 -6.130 332 1HD ARG 49 HD2 ARG 49 15.642 7.325 -4.960 333 2HD ARG 49 HD1 ARG 49 16.827 8.620 -5.126 334 HE ARG 49 HE ARG 49 15.091 7.645 -7.222 335 1HH1 ARG 49 1HH1 ARG 49 17.571 9.772 -6.383 336 2HH1 ARG 49 2HH1 ARG 49 18.103 10.058 -8.005 337 1HH2 ARG 49 1HH2 ARG 49 16.054 7.629 -9.390 338 2HH2 ARG 49 2HH2 ARG 49 17.242 8.848 -9.708 339 H GLY 50 H GLY 50 18.243 6.439 -1.871 340 1HA GLY 50 HA2 GLY 50 19.019 5.997 0.298 341 2HA GLY 50 HA1 GLY 50 17.580 4.990 0.444 342 H GLU 51 H GLU 51 18.358 3.123 1.362 343 HA GLU 51 HA GLU 51 20.789 1.890 0.148 344 1HB GLU 51 HB2 GLU 51 19.445 1.464 2.831 345 2HB GLU 51 HB1 GLU 51 20.790 0.486 2.242 346 1HG GLU 51 HG2 GLU 51 22.164 2.042 3.129 347 2HG GLU 51 HG1 GLU 51 21.632 3.116 1.835 348 H MET 52 H MET 52 17.690 1.806 -0.516 349 HA MET 52 HA MET 52 17.727 -1.116 -1.087 350 1HB MET 52 HB2 MET 52 15.035 -0.164 -0.470 351 2HB MET 52 HB1 MET 52 15.877 -1.592 0.124 352 1HG MET 52 HG2 MET 52 17.201 0.074 1.614 353 2HG MET 52 HG1 MET 52 15.899 1.205 1.246 354 1HE MET 52 HE1 MET 52 16.483 -0.805 4.539 355 2HE MET 52 HE2 MET 52 15.276 0.468 4.698 356 3HE MET 52 HE3 MET 52 16.714 0.746 3.719 357 HA PRO 53 HA PRO 53 16.063 0.054 -4.972 358 1HB PRO 53 HB2 PRO 53 14.265 -1.965 -5.471 359 2HB PRO 53 HB1 PRO 53 16.023 -2.179 -5.543 360 1HG PRO 53 HG2 PRO 53 14.106 -3.098 -3.452 361 2HG PRO 53 HG1 PRO 53 15.679 -3.773 -3.906 362 1HD PRO 53 HD2 PRO 53 15.160 -2.141 -1.650 363 2HD PRO 53 HD1 PRO 53 16.762 -2.555 -2.295 364 H ASP 54 H ASP 54 14.399 1.317 -5.842 365 HA ASP 54 HA ASP 54 12.513 2.593 -4.246 366 1HB ASP 54 HB2 ASP 54 11.926 1.888 -7.130 367 2HB ASP 54 HB1 ASP 54 11.462 3.343 -6.248 368 H ASP 55 H ASP 55 10.183 2.286 -3.988 369 HA ASP 55 HA ASP 55 9.401 -0.595 -4.194 370 1HB ASP 55 HB2 ASP 55 9.396 1.131 -1.972 371 2HB ASP 55 HB1 ASP 55 7.706 0.983 -2.448 372 H ARG 56 H ARG 56 8.228 -0.748 -6.069 373 HA ARG 56 HA ARG 56 6.283 1.409 -6.714 374 1HB ARG 56 HB2 ARG 56 7.012 -0.969 -8.423 375 2HB ARG 56 HB1 ARG 56 6.257 0.542 -8.928 376 1HG ARG 56 HG2 ARG 56 8.694 1.199 -7.606 377 2HG ARG 56 HG1 ARG 56 9.044 -0.070 -8.781 378 1HD ARG 56 HD2 ARG 56 7.509 1.406 -10.352 379 2HD ARG 56 HD1 ARG 56 7.976 2.690 -9.237 380 HE ARG 56 HE ARG 56 10.363 1.401 -9.931 381 1HH1 ARG 56 1HH2 ARG 56 8.117 1.624 -12.303 382 2HH1 ARG 56 2HH2 ARG 56 8.929 2.818 -13.257 383 1HH2 ARG 56 1HH1 ARG 56 11.279 3.554 -10.816 384 2HH2 ARG 56 2HH1 ARG 56 10.719 3.913 -12.415 385 H CYS 57 H CYS 57 4.130 1.090 -6.468 386 HA CYS 57 HA CYS 57 3.100 -1.207 -5.119 387 1HB CYS 57 HB2 CYS 57 1.562 0.729 -6.877 388 2HB CYS 57 HB1 CYS 57 0.900 -0.282 -5.593 389 H THR 58 H THR 58 1.965 -3.011 -5.950 390 HA THR 58 HA THR 58 2.798 -3.882 -8.590 391 HB THR 58 HB THR 58 1.621 -5.939 -8.070 392 HG1 THR 58 HG1 THR 58 0.559 -5.701 -5.800 393 1HG2 THR 58 1HG2 THR 58 2.615 -5.135 -5.369 394 2HG2 THR 58 2HG2 THR 58 3.746 -5.086 -6.720 395 3HG2 THR 58 3HG2 THR 58 2.945 -6.598 -6.297 396 H GLY 59 H GLY 59 0.419 -1.779 -7.687 397 1HA GLY 59 HA1 GLY 59 -1.123 -0.794 -9.248 398 2HA GLY 59 HA2 GLY 59 -1.031 -2.260 -10.224 399 H GLN 60 H GLN 60 -1.638 -4.255 -8.505 400 HA GLN 60 HA GLN 60 -4.480 -3.741 -7.939 401 1HB GLN 60 HB2 GLN 60 -2.814 -6.265 -7.689 402 2HB GLN 60 HB1 GLN 60 -4.564 -6.180 -7.487 403 1HG GLN 60 HG2 GLN 60 -3.854 -4.894 -9.954 404 2HG GLN 60 HG1 GLN 60 -3.111 -6.493 -9.909 405 1HE2 GLN 60 1HE2 GLN 60 -4.628 -7.405 -11.460 406 2HE2 GLN 60 2HE2 GLN 60 -6.256 -7.676 -11.060 407 H SER 61 H SER 61 -1.638 -3.349 -6.244 408 HA SER 61 HA SER 61 -2.807 -4.179 -3.639 409 1HB SER 61 HB2 SER 61 -0.069 -2.999 -4.157 410 2HB SER 61 HB1 SER 61 -0.611 -3.845 -2.712 411 HG SER 61 HG SER 61 -0.658 -5.731 -3.832 412 H ALA 62 H ALA 62 -3.638 -2.687 -2.234 413 HA ALA 62 HA ALA 62 -3.829 0.097 -3.107 414 1HB ALA 62 HB1 ALA 62 -5.748 -0.163 -1.949 415 2HB ALA 62 HB2 ALA 62 -4.776 -0.052 -0.482 416 3HB ALA 62 HB3 ALA 62 -5.155 -1.630 -1.173 417 H ASP 63 H ASP 63 -2.616 -1.440 -0.102 418 HA ASP 63 HA ASP 63 -1.099 0.988 0.551 419 1HB ASP 63 HB2 ASP 63 -0.905 -1.690 1.943 420 2HB ASP 63 HB1 ASP 63 -0.570 -0.091 2.609 421 H CYS 64 H CYS 64 1.298 0.307 1.428 422 HA CYS 64 HA CYS 64 2.584 -1.138 -0.852 423 1HB CYS 64 HB2 CYS 64 3.006 1.296 -0.897 424 2HB CYS 64 HB1 CYS 64 3.684 1.204 0.727 425 HA PRO 65 HA PRO 65 4.138 -3.744 2.316 426 1HB PRO 65 HB2 PRO 65 5.637 -5.280 0.622 427 2HB PRO 65 HB1 PRO 65 3.891 -5.457 0.796 428 1HG PRO 65 HG2 PRO 65 5.465 -4.292 -1.438 429 2HG PRO 65 HG1 PRO 65 3.830 -4.974 -1.455 430 1HD PRO 65 HD2 PRO 65 4.510 -2.217 -1.438 431 2HD PRO 65 HD1 PRO 65 2.892 -2.912 -1.208 432 H ARG 66 H ARG 66 6.628 -4.869 2.361 433 HA ARG 66 HA ARG 66 8.593 -2.663 1.974 434 1HB ARG 66 HB2 ARG 66 8.806 -4.266 4.483 435 2HB ARG 66 HB1 ARG 66 9.249 -2.586 4.184 436 1HG ARG 66 HG2 ARG 66 6.629 -2.294 3.885 437 2HG ARG 66 HG1 ARG 66 6.579 -3.747 4.885 438 1HD ARG 66 HD2 ARG 66 8.142 -1.258 5.624 439 2HD ARG 66 HD1 ARG 66 6.509 -1.595 6.200 440 HE ARG 66 HE ARG 66 8.333 -3.798 6.724 441 1HH1 ARG 66 1HH2 ARG 66 6.173 -1.727 8.131 442 2HH1 ARG 66 2HH2 ARG 66 7.028 -1.529 9.625 443 1HH2 ARG 66 1HH1 ARG 66 9.902 -3.106 8.497 444 2HH2 ARG 66 2HH1 ARG 66 9.136 -2.311 9.831 445 H TYR 67 H TYR 67 9.863 -3.692 0.454 446 HA TYR 67 HA TYR 67 10.357 -6.540 0.476 447 1HB TYR 67 HB2 TYR 67 10.792 -4.415 -1.309 448 2HB TYR 67 HB1 TYR 67 12.401 -5.021 -0.918 449 HD1 TYR 67 HD2 TYR 67 8.977 -6.236 -1.853 450 HD2 TYR 67 HD1 TYR 67 13.215 -6.921 -2.012 451 HE1 TYR 67 HE2 TYR 67 8.606 -8.193 -3.331 452 HE2 TYR 67 HE1 TYR 67 12.843 -8.878 -3.491 453 HH TYR 67 HH TYR 67 9.775 -9.537 -4.929 454 H HIS 68 H HIS 68 11.728 -3.902 2.204 455 HA HIS 68 HA HIS 68 13.910 -5.716 3.146 456 1HB HIS 68 HB2 HIS 68 14.221 -3.259 1.749 457 2HB HIS 68 HB1 HIS 68 14.686 -2.961 3.424 458 HD1 HIS 68 HD1 HIS 68 16.220 -5.193 4.381 459 HD2 HIS 68 HD2 HIS 68 16.393 -4.188 0.339 460 HE1 HIS 68 HE1 HIS 68 18.356 -6.212 3.480 Start of MODEL 16 1 1H GLY 1 HT1 GLY 1 -8.734 -14.783 5.163 2 2H GLY 1 HT2 GLY 1 -9.748 -16.112 4.858 3 3H GLY 1 HT3 GLY 1 -9.678 -15.432 6.413 4 1HA GLY 1 HA1 GLY 1 -10.777 -14.159 3.967 5 2HA GLY 1 HA2 GLY 1 -11.695 -14.718 5.366 6 H LYS 2 H LYS 2 -11.454 -11.970 4.263 7 HA LYS 2 HA LYS 2 -10.442 -10.653 6.749 8 1HB LYS 2 HB2 LYS 2 -9.891 -8.692 5.138 9 2HB LYS 2 HB1 LYS 2 -8.788 -10.068 5.170 10 1HG LYS 2 HG2 LYS 2 -11.090 -10.161 3.264 11 2HG LYS 2 HG1 LYS 2 -9.725 -9.116 2.865 12 1HD LYS 2 HD2 LYS 2 -8.755 -11.661 3.815 13 2HD LYS 2 HD1 LYS 2 -9.901 -11.915 2.499 14 1HE LYS 2 HE2 LYS 2 -8.489 -9.847 1.474 15 2HE LYS 2 HE1 LYS 2 -7.238 -10.603 2.460 16 1HZ LYS 2 HZ1 LYS 2 -7.968 -11.393 -0.023 17 2HZ LYS 2 HZ2 LYS 2 -8.807 -12.488 0.968 18 3HZ LYS 2 HZ3 LYS 2 -7.119 -12.343 1.096 19 H GLU 3 H GLU 3 -11.712 -8.895 7.470 20 HA GLU 3 HA GLU 3 -14.207 -8.378 5.901 21 1HB GLU 3 HB2 GLU 3 -15.494 -8.350 7.946 22 2HB GLU 3 HB1 GLU 3 -14.580 -9.859 7.912 23 1HG GLU 3 HG2 GLU 3 -12.776 -8.316 9.169 24 2HG GLU 3 HG1 GLU 3 -14.245 -7.482 9.674 25 H CYS 4 H CYS 4 -11.705 -6.851 5.980 26 HA CYS 4 HA CYS 4 -12.880 -4.251 6.616 27 1HB CYS 4 HB2 CYS 4 -11.972 -4.956 8.810 28 2HB CYS 4 HB1 CYS 4 -10.382 -5.160 8.076 29 H ASP 5 H ASP 5 -12.527 -3.845 4.391 30 HA ASP 5 HA ASP 5 -9.960 -4.240 3.122 31 1HB ASP 5 HB2 ASP 5 -12.475 -2.744 2.393 32 2HB ASP 5 HB1 ASP 5 -11.023 -2.609 1.399 33 H CYS 6 H CYS 6 -11.353 -1.666 5.035 34 HA CYS 6 HA CYS 6 -9.065 0.094 4.274 35 1HB CYS 6 HB2 CYS 6 -10.368 1.955 4.891 36 2HB CYS 6 HB1 CYS 6 -11.543 0.871 4.159 37 H SER 7 H SER 7 -8.760 1.639 6.540 38 HA SER 7 HA SER 7 -8.371 -0.308 8.759 39 1HB SER 7 HB2 SER 7 -6.224 1.617 7.837 40 2HB SER 7 HB1 SER 7 -6.083 0.389 9.092 41 HG SER 7 HG SER 7 -5.577 -0.945 7.564 42 H SER 8 H SER 8 -10.252 1.975 8.322 43 HA SER 8 HA SER 8 -9.937 3.190 10.930 44 1HB SER 8 HB2 SER 8 -9.745 5.160 8.661 45 2HB SER 8 HB1 SER 8 -9.372 5.402 10.365 46 HG SER 8 HG SER 8 -7.861 4.275 8.330 47 HA PRO 9 HA PRO 9 -14.256 3.601 10.125 48 1HB PRO 9 HB2 PRO 9 -14.890 4.996 12.406 49 2HB PRO 9 HB1 PRO 9 -14.555 3.256 12.385 50 1HG PRO 9 HG2 PRO 9 -12.840 5.484 13.372 51 2HG PRO 9 HG1 PRO 9 -12.853 3.780 13.854 52 1HD PRO 9 HD2 PRO 9 -10.982 5.006 12.109 53 2HD PRO 9 HD1 PRO 9 -11.189 3.261 12.366 54 H GLU 10 H GLU 10 -12.291 6.434 10.964 55 HA GLU 10 HA GLU 10 -14.243 8.413 10.217 56 1HB GLU 10 HB2 GLU 10 -12.064 8.746 11.564 57 2HB GLU 10 HB1 GLU 10 -11.251 8.788 9.999 58 1HG GLU 10 HG2 GLU 10 -11.730 11.015 10.082 59 2HG GLU 10 HG1 GLU 10 -13.326 10.497 9.538 60 H ASN 11 H ASN 11 -12.148 6.331 8.417 61 HA ASN 11 HA ASN 11 -11.786 7.791 6.031 62 1HB ASN 11 HB2 ASN 11 -10.748 5.585 6.495 63 2HB ASN 11 HB1 ASN 11 -12.326 4.821 6.305 64 1HD2 ASN 11 1HD2 ASN 11 -10.418 3.930 4.553 65 2HD2 ASN 11 2HD2 ASN 11 -10.665 4.574 3.003 66 HA PRO 12 HA PRO 12 -16.097 8.064 4.880 67 1HB PRO 12 HB2 PRO 12 -15.666 9.705 2.719 68 2HB PRO 12 HB1 PRO 12 -15.709 10.283 4.393 69 1HG PRO 12 HG2 PRO 12 -13.360 9.909 2.599 70 2HG PRO 12 HG1 PRO 12 -13.555 11.002 3.979 71 1HD PRO 12 HD2 PRO 12 -12.148 8.537 3.982 72 2HD PRO 12 HD1 PRO 12 -12.599 9.492 5.412 73 H CYS 13 H CYS 13 -13.513 6.637 3.156 74 HA CYS 13 HA CYS 13 -15.266 5.833 0.900 75 1HB CYS 13 HB2 CYS 13 -12.338 6.021 1.342 76 2HB CYS 13 HB1 CYS 13 -12.883 4.680 0.334 77 H CYS 14 H CYS 14 -14.826 4.733 3.935 78 HA CYS 14 HA CYS 14 -15.357 1.962 3.053 79 1HB CYS 14 HB2 CYS 14 -13.577 0.969 4.085 80 2HB CYS 14 HB1 CYS 14 -12.832 2.534 3.797 81 H ASP 15 H ASP 15 -17.087 1.173 4.071 82 HA ASP 15 HA ASP 15 -18.477 2.657 6.092 83 1HB ASP 15 HB2 ASP 15 -19.316 0.808 4.405 84 2HB ASP 15 HB1 ASP 15 -18.901 -0.293 5.719 85 H ALA 16 H ALA 16 -18.087 2.706 8.253 86 HA ALA 16 HA ALA 16 -15.963 1.123 9.422 87 1HB ALA 16 HB1 ALA 16 -17.053 2.123 11.601 88 2HB ALA 16 HB2 ALA 16 -17.973 3.101 10.458 89 3HB ALA 16 HB3 ALA 16 -16.213 3.191 10.477 90 H ALA 17 H ALA 17 -19.516 1.022 9.596 91 HA ALA 17 HA ALA 17 -19.820 -0.973 11.556 92 1HB ALA 17 HB1 ALA 17 -21.573 -1.233 9.179 93 2HB ALA 17 HB2 ALA 17 -21.541 0.363 9.929 94 3HB ALA 17 HB3 ALA 17 -22.004 -1.048 10.880 95 H THR 18 H THR 18 -18.557 -1.216 8.335 96 HA THR 18 HA THR 18 -18.433 -4.188 8.665 97 HB THR 18 HB THR 18 -18.805 -4.500 6.379 98 HG1 THR 18 HG1 THR 18 -18.322 -3.000 4.866 99 1HG2 THR 18 1HG2 THR 18 -20.324 -1.919 6.723 100 2HG2 THR 18 2HG2 THR 18 -20.746 -3.355 7.656 101 3HG2 THR 18 3HG2 THR 18 -20.831 -3.391 5.895 102 H CYS 19 H CYS 19 -16.687 -1.273 8.347 103 HA CYS 19 HA CYS 19 -14.366 -0.888 8.299 104 1HB CYS 19 HB2 CYS 19 -14.602 -3.219 9.654 105 2HB CYS 19 HB1 CYS 19 -13.707 -3.789 8.245 106 H LYS 20 H LYS 20 -16.135 -1.968 5.896 107 HA LYS 20 HA LYS 20 -13.812 -2.532 4.095 108 1HB LYS 20 HB2 LYS 20 -16.729 -3.193 3.611 109 2HB LYS 20 HB1 LYS 20 -15.352 -3.698 2.631 110 1HG LYS 20 HG2 LYS 20 -14.493 -5.080 4.407 111 2HG LYS 20 HG1 LYS 20 -15.661 -4.425 5.557 112 1HD LYS 20 HD2 LYS 20 -17.335 -5.319 3.604 113 2HD LYS 20 HD1 LYS 20 -16.024 -6.491 3.468 114 1HE LYS 20 HE2 LYS 20 -16.246 -7.161 5.741 115 2HE LYS 20 HE1 LYS 20 -17.255 -5.768 6.131 116 1HZ LYS 20 HZ1 LYS 20 -18.470 -7.132 4.029 117 2HZ LYS 20 HZ2 LYS 20 -19.022 -6.969 5.628 118 3HZ LYS 20 HZ3 LYS 20 -18.049 -8.292 5.193 119 H LEU 21 H LEU 21 -14.886 -1.988 1.661 120 HA LEU 21 HA LEU 21 -14.918 0.921 1.653 121 1HB LEU 21 HB2 LEU 21 -15.029 -1.209 -0.465 122 2HB LEU 21 HB1 LEU 21 -15.341 0.479 -0.876 123 HG LEU 21 HG LEU 21 -13.039 0.407 0.808 124 1HD1 LEU 21 1HD1 LEU 21 -13.168 -2.036 -0.275 125 2HD1 LEU 21 2HD1 LEU 21 -11.635 -1.185 -0.077 126 3HD1 LEU 21 3HD1 LEU 21 -12.447 -1.186 -1.642 127 1HD2 LEU 21 1HD2 LEU 21 -12.180 0.928 -1.779 128 2HD2 LEU 21 2HD2 LEU 21 -12.823 2.125 -0.654 129 3HD2 LEU 21 3HD2 LEU 21 -13.890 1.359 -1.830 130 H ARG 22 H ARG 22 -16.684 2.233 1.509 131 HA ARG 22 HA ARG 22 -19.334 0.993 1.727 132 1HB ARG 22 HB2 ARG 22 -18.221 3.334 2.704 133 2HB ARG 22 HB1 ARG 22 -19.280 3.904 1.413 134 1HG ARG 22 HG2 ARG 22 -20.877 2.036 2.602 135 2HG ARG 22 HG1 ARG 22 -19.972 2.638 3.992 136 1HD ARG 22 HD2 ARG 22 -20.598 4.938 3.439 137 2HD ARG 22 HD1 ARG 22 -21.438 4.385 1.992 138 HE ARG 22 HE ARG 22 -23.000 3.156 3.564 139 1HH1 ARG 22 1HH1 ARG 22 -20.855 4.351 5.690 140 2HH1 ARG 22 2HH1 ARG 22 -21.944 5.377 6.564 141 1HH2 ARG 22 1HH2 ARG 22 -24.498 5.094 4.234 142 2HH2 ARG 22 2HH2 ARG 22 -24.008 5.798 5.740 143 HA PRO 23 HA PRO 23 -19.930 3.279 -2.414 144 1HB PRO 23 HB2 PRO 23 -17.750 4.537 -3.514 145 2HB PRO 23 HB1 PRO 23 -18.864 5.325 -2.384 146 1HG PRO 23 HG2 PRO 23 -16.090 4.361 -1.908 147 2HG PRO 23 HG1 PRO 23 -17.003 5.614 -1.053 148 1HD PRO 23 HD2 PRO 23 -16.553 2.944 -0.170 149 2HD PRO 23 HD1 PRO 23 -17.652 4.132 0.565 150 H GLY 24 H GLY 24 -18.460 3.265 -4.790 151 1HA GLY 24 HA2 GLY 24 -17.849 0.383 -5.056 152 2HA GLY 24 HA1 GLY 24 -18.079 1.517 -6.387 153 H ALA 25 H ALA 25 -15.984 2.057 -3.598 154 HA ALA 25 HA ALA 25 -13.723 2.538 -5.414 155 1HB ALA 25 HB1 ALA 25 -13.490 4.103 -3.768 156 2HB ALA 25 HB2 ALA 25 -12.699 2.795 -2.889 157 3HB ALA 25 HB3 ALA 25 -14.402 3.147 -2.600 158 H GLN 26 H GLN 26 -11.927 1.229 -5.602 159 HA GLN 26 HA GLN 26 -12.188 -1.528 -4.679 160 1HB GLN 26 HB2 GLN 26 -10.752 -0.153 -6.717 161 2HB GLN 26 HB1 GLN 26 -9.564 -0.965 -5.696 162 1HG GLN 26 HG2 GLN 26 -10.100 -2.695 -7.138 163 2HG GLN 26 HG1 GLN 26 -11.290 -2.967 -5.866 164 1HE2 GLN 26 1HE2 GLN 26 -12.601 -4.006 -7.677 165 2HE2 GLN 26 2HE2 GLN 26 -13.527 -2.995 -8.680 166 H CYS 27 H CYS 27 -10.786 1.355 -3.485 167 HA CYS 27 HA CYS 27 -9.789 -0.061 -1.124 168 1HB CYS 27 HB2 CYS 27 -7.770 -0.307 -2.316 169 2HB CYS 27 HB1 CYS 27 -7.944 1.247 -3.123 170 H GLY 28 H GLY 28 -9.937 1.288 0.658 171 1HA GLY 28 HA2 GLY 28 -10.964 4.020 0.137 172 2HA GLY 28 HA1 GLY 28 -11.069 3.159 1.673 173 H GLU 29 H GLU 29 -8.139 2.375 1.202 174 HA GLU 29 HA GLU 29 -6.650 4.857 1.313 175 1HB GLU 29 HB2 GLU 29 -6.092 4.869 3.646 176 2HB GLU 29 HB1 GLU 29 -7.847 4.790 3.545 177 1HG GLU 29 HG2 GLU 29 -7.699 2.991 4.900 178 2HG GLU 29 HG1 GLU 29 -7.094 2.124 3.487 179 H GLY 30 H GLY 30 -4.368 4.449 1.393 180 1HA GLY 30 HA2 GLY 30 -2.969 2.180 2.073 181 2HA GLY 30 HA1 GLY 30 -3.634 1.769 0.491 182 H LEU 31 H LEU 31 -0.799 2.216 1.235 183 HA LEU 31 HA LEU 31 0.140 4.757 0.374 184 1HB LEU 31 HB2 LEU 31 1.436 2.022 0.184 185 2HB LEU 31 HB1 LEU 31 2.279 3.538 -0.131 186 HG LEU 31 HG LEU 31 0.784 3.509 2.404 187 1HD1 LEU 31 1HD1 LEU 31 3.332 1.920 2.377 188 2HD1 LEU 31 2HD1 LEU 31 1.807 1.113 2.009 189 3HD1 LEU 31 3HD1 LEU 31 2.028 1.914 3.565 190 1HD2 LEU 31 1HD2 LEU 31 3.289 4.544 1.229 191 2HD2 LEU 31 2HD2 LEU 31 3.408 4.104 2.933 192 3HD2 LEU 31 3HD2 LEU 31 2.210 5.287 2.410 193 H CYS 32 H CYS 32 -1.355 2.243 -1.403 194 HA CYS 32 HA CYS 32 -0.491 3.564 -3.946 195 1HB CYS 32 HB2 CYS 32 -1.269 0.655 -3.777 196 2HB CYS 32 HB1 CYS 32 -0.360 1.478 -5.044 197 H CYS 33 H CYS 33 -2.769 4.379 -2.490 198 HA CYS 33 HA CYS 33 -4.964 3.325 -4.232 199 1HB CYS 33 HB2 CYS 33 -5.082 4.287 -1.360 200 2HB CYS 33 HB1 CYS 33 -6.508 3.964 -2.348 201 H GLU 34 H GLU 34 -5.553 4.852 -5.678 202 HA GLU 34 HA GLU 34 -5.342 7.718 -4.847 203 1HB GLU 34 HB2 GLU 34 -4.026 6.621 -6.920 204 2HB GLU 34 HB1 GLU 34 -5.548 6.994 -7.729 205 1HG GLU 34 HG2 GLU 34 -4.889 9.136 -7.900 206 2HG GLU 34 HG1 GLU 34 -4.919 9.247 -6.140 207 H GLN 35 H GLN 35 -7.273 8.747 -4.650 208 HA GLN 35 HA GLN 35 -9.558 9.221 -4.904 209 1HB GLN 35 HB2 GLN 35 -8.636 8.298 -7.483 210 2HB GLN 35 HB1 GLN 35 -10.289 7.746 -7.203 211 1HG GLN 35 HG2 GLN 35 -10.940 10.066 -6.603 212 2HG GLN 35 HG1 GLN 35 -9.298 10.603 -6.958 213 1HE2 GLN 35 1HE2 GLN 35 -9.529 11.760 -8.904 214 2HE2 GLN 35 2HE2 GLN 35 -10.265 11.139 -10.301 215 H CYS 36 H CYS 36 -8.636 6.878 -3.422 216 HA CYS 36 HA CYS 36 -9.590 5.048 -2.320 217 1HB CYS 36 HB2 CYS 36 -12.089 6.086 -3.688 218 2HB CYS 36 HB1 CYS 36 -12.074 4.816 -2.465 219 H LYS 37 H LYS 37 -8.387 4.725 -4.972 220 HA LYS 37 HA LYS 37 -9.767 2.188 -5.703 221 1HB LYS 37 HB2 LYS 37 -10.002 4.434 -7.276 222 2HB LYS 37 HB1 LYS 37 -8.605 3.627 -7.992 223 1HG LYS 37 HG2 LYS 37 -9.824 1.777 -8.637 224 2HG LYS 37 HG1 LYS 37 -10.977 1.944 -7.312 225 1HD LYS 37 HD2 LYS 37 -12.264 3.500 -8.442 226 2HD LYS 37 HD1 LYS 37 -10.901 4.093 -9.392 227 1HE LYS 37 HE2 LYS 37 -10.915 1.727 -10.473 228 2HE LYS 37 HE1 LYS 37 -12.546 1.604 -9.813 229 1HZ LYS 37 HZ1 LYS 37 -12.100 2.614 -12.180 230 2HZ LYS 37 HZ2 LYS 37 -11.833 4.032 -11.282 231 3HZ LYS 37 HZ3 LYS 37 -13.325 3.226 -11.180 232 H PHE 38 H PHE 38 -8.299 0.722 -6.945 233 HA PHE 38 HA PHE 38 -5.665 0.665 -5.752 234 1HB PHE 38 HB2 PHE 38 -6.889 -0.946 -8.011 235 2HB PHE 38 HB1 PHE 38 -5.305 -1.275 -7.310 236 HD1 PHE 38 HD1 PHE 38 -5.829 -0.687 -4.438 237 HD2 PHE 38 HD2 PHE 38 -8.194 -2.794 -7.339 238 HE1 PHE 38 HE1 PHE 38 -6.904 -1.987 -2.619 239 HE2 PHE 38 HE2 PHE 38 -9.270 -4.091 -5.521 240 HZ PHE 38 HZ PHE 38 -8.624 -3.687 -3.161 241 H SER 39 H SER 39 -4.110 2.093 -6.401 242 HA SER 39 HA SER 39 -4.100 3.537 -8.835 243 1HB SER 39 HB2 SER 39 -2.421 3.326 -6.570 244 2HB SER 39 HB1 SER 39 -1.396 2.999 -7.965 245 HG SER 39 HG SER 39 -1.405 5.114 -8.074 246 H ARG 40 H ARG 40 -1.969 3.217 -10.347 247 HA ARG 40 HA ARG 40 -2.269 0.461 -11.424 248 1HB ARG 40 HB2 ARG 40 -1.422 1.340 -13.501 249 2HB ARG 40 HB1 ARG 40 -2.614 2.496 -12.903 250 1HG ARG 40 HG2 ARG 40 -0.754 3.818 -11.882 251 2HG ARG 40 HG1 ARG 40 0.398 2.709 -12.627 252 1HD ARG 40 HD2 ARG 40 0.001 4.800 -13.968 253 2HD ARG 40 HD1 ARG 40 -0.359 3.314 -14.847 254 HE ARG 40 HE ARG 40 -2.668 4.505 -13.481 255 1HH1 ARG 40 1HH2 ARG 40 -1.240 6.276 -15.648 256 2HH1 ARG 40 2HH2 ARG 40 -2.263 5.944 -17.006 257 1HH2 ARG 40 1HH1 ARG 40 -3.790 3.206 -15.524 258 2HH2 ARG 40 2HH1 ARG 40 -3.709 4.208 -16.935 259 H ALA 41 H ALA 41 -0.390 -0.819 -11.880 260 HA ALA 41 HA ALA 41 1.630 -0.912 -9.972 261 1HB ALA 41 HB1 ALA 41 1.308 -1.952 -12.720 262 2HB ALA 41 HB2 ALA 41 1.827 -2.786 -11.256 263 3HB ALA 41 HB3 ALA 41 2.979 -1.818 -12.175 264 H GLY 42 H GLY 42 4.060 -0.500 -10.449 265 1HA GLY 42 HA2 GLY 42 5.776 1.037 -10.953 266 2HA GLY 42 HA1 GLY 42 4.723 1.713 -12.198 267 H LYS 43 H LYS 43 3.489 1.389 -8.967 268 HA LYS 43 HA LYS 43 3.404 4.356 -8.767 269 1HB LYS 43 HB2 LYS 43 1.281 3.175 -8.470 270 2HB LYS 43 HB1 LYS 43 1.979 2.207 -7.172 271 1HG LYS 43 HG2 LYS 43 0.612 4.182 -6.381 272 2HG LYS 43 HG1 LYS 43 2.268 4.152 -5.777 273 1HD LYS 43 HD2 LYS 43 2.900 5.975 -7.016 274 2HD LYS 43 HD1 LYS 43 1.832 5.564 -8.357 275 1HE LYS 43 HE2 LYS 43 1.113 7.625 -7.126 276 2HE LYS 43 HE1 LYS 43 -0.108 6.353 -7.123 277 1HZ LYS 43 HZ1 LYS 43 0.190 7.330 -4.926 278 2HZ LYS 43 HZ2 LYS 43 1.828 6.879 -4.932 279 3HZ LYS 43 HZ3 LYS 43 0.616 5.689 -4.929 280 H ILE 44 H ILE 44 4.996 5.304 -7.618 281 HA ILE 44 HA ILE 44 6.804 3.867 -5.924 282 HB ILE 44 HB ILE 44 6.317 6.704 -6.666 283 1HG1 ILE 44 2HG1 ILE 44 7.930 5.314 -7.859 284 2HG1 ILE 44 1HG1 ILE 44 8.786 6.589 -6.987 285 1HG2 ILE 44 1HG2 ILE 44 6.409 6.921 -4.217 286 2HG2 ILE 44 2HG2 ILE 44 7.895 7.537 -4.939 287 3HG2 ILE 44 3HG2 ILE 44 7.879 5.948 -4.174 288 1HD1 ILE 44 1HD1 ILE 44 9.955 5.050 -5.837 289 2HD1 ILE 44 2HD1 ILE 44 9.157 3.778 -6.759 290 3HD1 ILE 44 3HD1 ILE 44 8.461 4.337 -5.238 291 H CYS 45 H CYS 45 6.543 3.233 -3.846 292 HA CYS 45 HA CYS 45 4.458 4.620 -2.215 293 1HB CYS 45 HB2 CYS 45 4.144 2.365 -1.092 294 2HB CYS 45 HB1 CYS 45 3.557 2.463 -2.750 295 H ARG 46 H ARG 46 7.710 4.125 -2.511 296 HA ARG 46 HA ARG 46 8.069 4.509 0.419 297 1HB ARG 46 HB2 ARG 46 9.593 2.549 -1.315 298 2HB ARG 46 HB1 ARG 46 10.099 3.023 0.305 299 1HG ARG 46 HG2 ARG 46 7.381 2.364 0.556 300 2HG ARG 46 HG1 ARG 46 8.062 1.113 -0.483 301 1HD ARG 46 HD2 ARG 46 9.888 1.698 1.675 302 2HD ARG 46 HD1 ARG 46 8.295 1.307 2.323 303 HE ARG 46 HE ARG 46 8.431 -0.821 0.972 304 1HH1 ARG 46 1HH1 ARG 46 11.242 0.973 0.525 305 2HH1 ARG 46 2HH1 ARG 46 12.333 -0.330 0.859 306 1HH2 ARG 46 1HH2 ARG 46 9.842 -2.499 1.910 307 2HH2 ARG 46 2HH2 ARG 46 11.541 -2.295 1.645 308 H ILE 47 H ILE 47 11.012 4.026 -1.223 309 HA ILE 47 HA ILE 47 11.257 6.956 -1.744 310 HB ILE 47 HB ILE 47 12.314 6.422 0.408 311 1HG1 ILE 47 2HG1 ILE 47 14.768 6.970 -0.375 312 2HG1 ILE 47 1HG1 ILE 47 14.021 7.126 -1.965 313 1HG2 ILE 47 1HG2 ILE 47 12.846 3.985 -0.679 314 2HG2 ILE 47 2HG2 ILE 47 13.677 4.618 0.742 315 3HG2 ILE 47 3HG2 ILE 47 14.420 4.760 -0.851 316 1HD1 ILE 47 1HD1 ILE 47 12.859 8.530 0.438 317 2HD1 ILE 47 2HD1 ILE 47 12.631 8.902 -1.270 318 3HD1 ILE 47 3HD1 ILE 47 14.173 9.253 -0.490 319 HA PRO 48 HA PRO 48 12.740 5.033 -5.547 320 1HB PRO 48 HB2 PRO 48 12.437 7.317 -7.044 321 2HB PRO 48 HB1 PRO 48 11.116 6.188 -6.706 322 1HG PRO 48 HG2 PRO 48 11.635 8.879 -5.529 323 2HG PRO 48 HG1 PRO 48 10.098 8.020 -5.725 324 1HD PRO 48 HD2 PRO 48 11.567 8.240 -3.321 325 2HD PRO 48 HD1 PRO 48 10.235 7.109 -3.623 326 H ARG 49 H ARG 49 13.784 8.006 -3.983 327 HA ARG 49 HA ARG 49 16.459 7.656 -5.270 328 1HB ARG 49 HB2 ARG 49 16.746 10.012 -5.381 329 2HB ARG 49 HB1 ARG 49 15.106 9.729 -5.962 330 1HG ARG 49 HG2 ARG 49 14.627 11.378 -4.435 331 2HG ARG 49 HG1 ARG 49 14.584 10.000 -3.332 332 1HD ARG 49 HD2 ARG 49 16.794 10.420 -2.556 333 2HD ARG 49 HD1 ARG 49 17.131 11.529 -3.885 334 HE ARG 49 HE ARG 49 15.949 12.276 -1.398 335 1HH1 ARG 49 1HH2 ARG 49 17.111 14.291 -3.199 336 2HH1 ARG 49 2HH2 ARG 49 15.723 15.144 -3.787 337 1HH2 ARG 49 1HH1 ARG 49 13.479 12.674 -2.844 338 2HH2 ARG 49 2HH1 ARG 49 13.667 14.228 -3.585 339 H GLY 50 H GLY 50 18.132 7.458 -3.871 340 1HA GLY 50 HA2 GLY 50 18.975 8.519 -1.628 341 2HA GLY 50 HA1 GLY 50 17.528 7.754 -0.968 342 H GLU 51 H GLU 51 19.244 6.596 0.362 343 HA GLU 51 HA GLU 51 20.835 4.582 -1.061 344 1HB GLU 51 HB2 GLU 51 20.746 5.713 1.609 345 2HB GLU 51 HB1 GLU 51 20.789 3.950 1.679 346 1HG GLU 51 HG2 GLU 51 22.694 4.082 -0.032 347 2HG GLU 51 HG1 GLU 51 22.758 5.806 0.334 348 H MET 52 H MET 52 17.664 4.730 -0.714 349 HA MET 52 HA MET 52 17.385 1.859 0.072 350 1HB MET 52 HB2 MET 52 15.720 4.263 0.551 351 2HB MET 52 HB1 MET 52 14.835 2.801 0.113 352 1HG MET 52 HG2 MET 52 16.627 1.795 1.907 353 2HG MET 52 HG1 MET 52 16.368 3.409 2.566 354 1HE MET 52 HE1 MET 52 14.510 0.109 3.915 355 2HE MET 52 HE2 MET 52 15.859 0.252 2.790 356 3HE MET 52 HE3 MET 52 14.276 -0.251 2.200 357 HA PRO 53 HA PRO 53 16.046 0.978 -4.006 358 1HB PRO 53 HB2 PRO 53 14.371 -1.138 -3.492 359 2HB PRO 53 HB1 PRO 53 16.138 -1.249 -3.419 360 1HG PRO 53 HG2 PRO 53 14.169 -1.148 -1.179 361 2HG PRO 53 HG1 PRO 53 15.786 -1.872 -1.221 362 1HD PRO 53 HD2 PRO 53 15.119 0.611 -0.045 363 2HD PRO 53 HD1 PRO 53 16.761 0.035 -0.406 364 H ASP 54 H ASP 54 14.490 1.812 -5.336 365 HA ASP 54 HA ASP 54 12.251 3.282 -4.356 366 1HB ASP 54 HB2 ASP 54 12.227 2.057 -7.103 367 2HB ASP 54 HB1 ASP 54 11.721 3.670 -6.602 368 H ASP 55 H ASP 55 10.066 2.673 -4.113 369 HA ASP 55 HA ASP 55 9.530 -0.256 -4.409 370 1HB ASP 55 HB2 ASP 55 9.551 0.848 -2.054 371 2HB ASP 55 HB1 ASP 55 8.005 1.546 -2.537 372 H ARG 56 H ARG 56 8.335 -0.508 -6.229 373 HA ARG 56 HA ARG 56 6.271 1.547 -6.881 374 1HB ARG 56 HB2 ARG 56 7.498 -0.627 -8.598 375 2HB ARG 56 HB1 ARG 56 6.313 0.557 -9.141 376 1HG ARG 56 HG2 ARG 56 8.377 2.020 -7.868 377 2HG ARG 56 HG1 ARG 56 9.169 0.850 -8.925 378 1HD ARG 56 HD2 ARG 56 7.552 1.593 -10.750 379 2HD ARG 56 HD1 ARG 56 7.103 2.925 -9.685 380 HE ARG 56 HE ARG 56 9.504 3.654 -9.799 381 1HH1 ARG 56 1HH2 ARG 56 8.457 4.171 -12.475 382 2HH1 ARG 56 2HH2 ARG 56 9.550 3.316 -13.513 383 1HH2 ARG 56 1HH1 ARG 56 10.852 1.355 -10.966 384 2HH2 ARG 56 2HH1 ARG 56 10.907 1.725 -12.658 385 H CYS 57 H CYS 57 4.191 1.028 -6.442 386 HA CYS 57 HA CYS 57 3.418 -1.559 -5.462 387 1HB CYS 57 HB2 CYS 57 1.524 0.461 -6.675 388 2HB CYS 57 HB1 CYS 57 1.197 -0.705 -5.394 389 H THR 58 H THR 58 1.928 -3.060 -6.533 390 HA THR 58 HA THR 58 2.650 -3.460 -9.347 391 HB THR 58 HB THR 58 1.782 -5.619 -9.096 392 HG1 THR 58 HG1 THR 58 0.133 -6.092 -7.662 393 1HG2 THR 58 1HG2 THR 58 3.500 -4.755 -7.221 394 2HG2 THR 58 2HG2 THR 58 2.892 -6.410 -7.250 395 3HG2 THR 58 3HG2 THR 58 2.162 -5.220 -6.172 396 H GLY 59 H GLY 59 0.451 -1.496 -7.934 397 1HA GLY 59 HA2 GLY 59 -1.235 -0.265 -9.112 398 2HA GLY 59 HA1 GLY 59 -1.261 -1.529 -10.342 399 H GLN 60 H GLN 60 -1.916 -3.788 -9.219 400 HA GLN 60 HA GLN 60 -4.640 -3.430 -8.323 401 1HB GLN 60 HB2 GLN 60 -2.911 -5.923 -8.264 402 2HB GLN 60 HB1 GLN 60 -4.668 -5.877 -8.116 403 1HG GLN 60 HG2 GLN 60 -3.523 -4.505 -10.489 404 2HG GLN 60 HG1 GLN 60 -3.408 -6.265 -10.476 405 1HE2 GLN 60 1HE2 GLN 60 -5.310 -4.078 -11.827 406 2HE2 GLN 60 2HE2 GLN 60 -6.841 -4.785 -11.637 407 H SER 61 H SER 61 -1.612 -3.518 -6.709 408 HA SER 61 HA SER 61 -2.741 -4.395 -4.137 409 1HB SER 61 HB2 SER 61 -0.418 -4.979 -4.673 410 2HB SER 61 HB1 SER 61 -0.012 -3.275 -4.852 411 HG SER 61 HG SER 61 -0.795 -4.683 -2.524 412 H ALA 62 H ALA 62 -3.707 -3.010 -2.733 413 HA ALA 62 HA ALA 62 -3.776 -0.151 -3.318 414 1HB ALA 62 HB1 ALA 62 -5.769 -0.542 -2.318 415 2HB ALA 62 HB2 ALA 62 -4.877 -0.470 -0.798 416 3HB ALA 62 HB3 ALA 62 -5.191 -2.028 -1.563 417 H ASP 63 H ASP 63 -2.248 -2.247 -0.900 418 HA ASP 63 HA ASP 63 -0.970 0.132 0.342 419 1HB ASP 63 HB2 ASP 63 -0.445 -2.667 1.271 420 2HB ASP 63 HB1 ASP 63 -0.581 -1.182 2.214 421 H CYS 64 H CYS 64 1.465 -0.620 1.078 422 HA CYS 64 HA CYS 64 2.786 -1.529 -1.446 423 1HB CYS 64 HB2 CYS 64 3.192 0.839 -1.038 424 2HB CYS 64 HB1 CYS 64 3.768 0.488 0.591 425 HA PRO 65 HA PRO 65 4.144 -4.649 1.426 426 1HB PRO 65 HB2 PRO 65 4.613 -6.457 -0.574 427 2HB PRO 65 HB1 PRO 65 3.021 -6.195 0.138 428 1HG PRO 65 HG2 PRO 65 4.038 -5.432 -2.536 429 2HG PRO 65 HG1 PRO 65 2.364 -5.600 -1.984 430 1HD PRO 65 HD2 PRO 65 3.837 -3.168 -2.329 431 2HD PRO 65 HD1 PRO 65 2.202 -3.341 -1.663 432 H ARG 66 H ARG 66 6.175 -6.339 0.853 433 HA ARG 66 HA ARG 66 8.417 -4.611 -0.114 434 1HB ARG 66 HB2 ARG 66 8.774 -6.666 2.060 435 2HB ARG 66 HB1 ARG 66 9.784 -5.271 1.682 436 1HG ARG 66 HG2 ARG 66 7.986 -3.758 2.433 437 2HG ARG 66 HG1 ARG 66 6.972 -5.151 2.811 438 1HD ARG 66 HD2 ARG 66 9.645 -5.298 4.017 439 2HD ARG 66 HD1 ARG 66 8.700 -3.920 4.579 440 HE ARG 66 HE ARG 66 7.009 -6.195 4.658 441 1HH1 ARG 66 1HH2 ARG 66 10.057 -5.253 5.955 442 2HH1 ARG 66 2HH2 ARG 66 9.760 -5.946 7.514 443 1HH2 ARG 66 1HH1 ARG 66 6.543 -6.976 6.739 444 2HH2 ARG 66 2HH1 ARG 66 7.772 -6.920 7.958 445 H TYR 67 H TYR 67 9.456 -5.553 -1.808 446 HA TYR 67 HA TYR 67 8.815 -8.237 -2.665 447 1HB TYR 67 HB2 TYR 67 10.571 -7.851 -4.379 448 2HB TYR 67 HB1 TYR 67 9.439 -6.502 -4.284 449 HD1 TYR 67 HD2 TYR 67 12.831 -7.668 -3.352 450 HD2 TYR 67 HD1 TYR 67 10.131 -4.332 -3.510 451 HE1 TYR 67 HE2 TYR 67 14.709 -6.126 -2.863 452 HE2 TYR 67 HE1 TYR 67 12.010 -2.789 -3.020 453 HH TYR 67 HH TYR 67 15.337 -3.916 -2.934 454 H HIS 68 H HIS 68 11.470 -6.804 -0.836 455 HA HIS 68 HA HIS 68 12.337 -9.539 -0.096 456 1HB HIS 68 HB2 HIS 68 13.701 -8.753 -2.092 457 2HB HIS 68 HB1 HIS 68 14.333 -7.474 -1.055 458 HD1 HIS 68 HD1 HIS 68 16.636 -8.189 -0.400 459 HD2 HIS 68 HD2 HIS 68 13.928 -11.351 -0.190 460 HE1 HIS 68 HE1 HIS 68 17.908 -10.160 0.556 Start of MODEL 17 1 1H GLY 1 HT1 GLY 1 -7.548 -9.312 4.415 2 2H GLY 1 HT2 GLY 1 -7.415 -9.418 6.104 3 3H GLY 1 HT3 GLY 1 -6.734 -8.100 5.277 4 1HA GLY 1 HA1 GLY 1 -8.911 -7.678 6.469 5 2HA GLY 1 HA2 GLY 1 -8.803 -7.163 4.787 6 H LYS 2 H LYS 2 -9.925 -9.817 6.871 7 HA LYS 2 HA LYS 2 -11.372 -11.157 4.745 8 1HB LYS 2 HB2 LYS 2 -11.606 -11.339 7.764 9 2HB LYS 2 HB1 LYS 2 -12.442 -12.406 6.635 10 1HG LYS 2 HG2 LYS 2 -10.218 -13.044 5.673 11 2HG LYS 2 HG1 LYS 2 -9.443 -12.088 6.936 12 1HD LYS 2 HD2 LYS 2 -10.512 -13.479 8.663 13 2HD LYS 2 HD1 LYS 2 -11.315 -14.427 7.411 14 1HE LYS 2 HE2 LYS 2 -9.126 -15.125 6.521 15 2HE LYS 2 HE1 LYS 2 -8.312 -14.165 7.757 16 1HZ LYS 2 HZ1 LYS 2 -8.902 -15.605 9.401 17 2HZ LYS 2 HZ2 LYS 2 -8.787 -16.700 8.108 18 3HZ LYS 2 HZ3 LYS 2 -10.307 -16.131 8.611 19 H GLU 3 H GLU 3 -12.363 -9.005 7.426 20 HA GLU 3 HA GLU 3 -14.919 -8.558 5.930 21 1HB GLU 3 HB2 GLU 3 -15.964 -8.078 8.117 22 2HB GLU 3 HB1 GLU 3 -15.285 -9.707 8.082 23 1HG GLU 3 HG2 GLU 3 -13.168 -8.679 9.104 24 2HG GLU 3 HG1 GLU 3 -14.147 -7.245 9.416 25 H CYS 4 H CYS 4 -12.023 -7.131 6.861 26 HA CYS 4 HA CYS 4 -13.293 -4.433 6.703 27 1HB CYS 4 HB2 CYS 4 -12.157 -5.017 8.914 28 2HB CYS 4 HB1 CYS 4 -10.635 -5.015 8.024 29 H ASP 5 H ASP 5 -12.693 -3.249 4.955 30 HA ASP 5 HA ASP 5 -10.456 -4.268 3.288 31 1HB ASP 5 HB2 ASP 5 -12.908 -3.543 2.504 32 2HB ASP 5 HB1 ASP 5 -12.145 -1.953 2.435 33 H CYS 6 H CYS 6 -11.289 -1.671 5.420 34 HA CYS 6 HA CYS 6 -8.840 -0.183 4.563 35 1HB CYS 6 HB2 CYS 6 -9.850 1.765 5.731 36 2HB CYS 6 HB1 CYS 6 -10.897 1.160 4.449 37 H SER 7 H SER 7 -7.767 0.960 6.542 38 HA SER 7 HA SER 7 -7.565 -1.083 8.706 39 1HB SER 7 HB2 SER 7 -5.472 -0.472 7.490 40 2HB SER 7 HB1 SER 7 -5.678 1.195 8.019 41 HG SER 7 HG SER 7 -4.348 0.204 9.486 42 H SER 8 H SER 8 -8.598 2.142 8.037 43 HA SER 8 HA SER 8 -8.633 2.841 10.920 44 1HB SER 8 HB2 SER 8 -9.831 4.812 9.162 45 2HB SER 8 HB1 SER 8 -8.435 4.973 10.221 46 HG SER 8 HG SER 8 -7.159 4.604 8.580 47 HA PRO 9 HA PRO 9 -12.891 1.480 10.868 48 1HB PRO 9 HB2 PRO 9 -13.313 1.900 13.551 49 2HB PRO 9 HB1 PRO 9 -12.486 0.474 12.900 50 1HG PRO 9 HG2 PRO 9 -11.327 2.842 14.294 51 2HG PRO 9 HG1 PRO 9 -10.711 1.185 14.197 52 1HD PRO 9 HD2 PRO 9 -9.775 3.389 12.691 53 2HD PRO 9 HD1 PRO 9 -9.417 1.678 12.370 54 H GLU 10 H GLU 10 -11.704 4.547 11.024 55 HA GLU 10 HA GLU 10 -14.430 5.710 11.434 56 1HB GLU 10 HB2 GLU 10 -12.118 6.255 12.925 57 2HB GLU 10 HB1 GLU 10 -12.267 7.617 11.814 58 1HG GLU 10 HG2 GLU 10 -14.643 7.889 12.508 59 2HG GLU 10 HG1 GLU 10 -14.427 6.583 13.674 60 H ASN 11 H ASN 11 -12.517 4.841 9.063 61 HA ASN 11 HA ASN 11 -12.205 7.355 7.605 62 1HB ASN 11 HB2 ASN 11 -11.026 4.876 7.417 63 2HB ASN 11 HB1 ASN 11 -12.134 4.862 6.044 64 1HD2 ASN 11 1HD2 ASN 11 -10.351 5.088 4.497 65 2HD2 ASN 11 2HD2 ASN 11 -9.520 6.557 4.325 66 HA PRO 12 HA PRO 12 -16.261 7.332 5.878 67 1HB PRO 12 HB2 PRO 12 -15.800 9.190 3.908 68 2HB PRO 12 HB1 PRO 12 -15.990 9.606 5.620 69 1HG PRO 12 HG2 PRO 12 -13.509 9.542 3.971 70 2HG PRO 12 HG1 PRO 12 -13.866 10.488 5.425 71 1HD PRO 12 HD2 PRO 12 -12.302 8.122 5.312 72 2HD PRO 12 HD1 PRO 12 -12.908 8.911 6.784 73 H CYS 13 H CYS 13 -13.411 6.704 3.899 74 HA CYS 13 HA CYS 13 -14.872 5.965 1.517 75 1HB CYS 13 HB2 CYS 13 -12.331 6.590 1.842 76 2HB CYS 13 HB1 CYS 13 -12.151 4.856 2.122 77 H CYS 14 H CYS 14 -14.477 4.410 4.520 78 HA CYS 14 HA CYS 14 -15.486 1.904 3.279 79 1HB CYS 14 HB2 CYS 14 -14.008 0.505 4.535 80 2HB CYS 14 HB1 CYS 14 -12.999 1.735 3.778 81 H ASP 15 H ASP 15 -17.314 1.265 4.246 82 HA ASP 15 HA ASP 15 -18.561 2.628 6.370 83 1HB ASP 15 HB2 ASP 15 -19.469 0.818 4.684 84 2HB ASP 15 HB1 ASP 15 -19.049 -0.309 5.974 85 H ALA 16 H ALA 16 -18.457 2.450 8.579 86 HA ALA 16 HA ALA 16 -16.223 0.961 9.730 87 1HB ALA 16 HB1 ALA 16 -18.102 2.020 11.675 88 2HB ALA 16 HB2 ALA 16 -17.715 3.228 10.450 89 3HB ALA 16 HB3 ALA 16 -16.424 2.478 11.387 90 H ALA 17 H ALA 17 -19.788 0.845 10.070 91 HA ALA 17 HA ALA 17 -19.993 -1.285 11.877 92 1HB ALA 17 HB1 ALA 17 -22.205 -1.357 11.285 93 2HB ALA 17 HB2 ALA 17 -21.847 -1.394 9.559 94 3HB ALA 17 HB3 ALA 17 -21.798 0.135 10.437 95 H THR 18 H THR 18 -19.241 -1.361 8.433 96 HA THR 18 HA THR 18 -18.981 -4.331 8.601 97 HB THR 18 HB THR 18 -19.304 -4.424 6.272 98 HG1 THR 18 HG1 THR 18 -18.786 -2.812 4.937 99 1HG2 THR 18 1HG2 THR 18 -21.389 -3.453 5.983 100 2HG2 THR 18 2HG2 THR 18 -20.904 -1.939 6.747 101 3HG2 THR 18 3HG2 THR 18 -21.233 -3.361 7.737 102 H CYS 19 H CYS 19 -17.218 -1.383 8.372 103 HA CYS 19 HA CYS 19 -14.899 -0.998 8.344 104 1HB CYS 19 HB2 CYS 19 -15.146 -3.282 9.746 105 2HB CYS 19 HB1 CYS 19 -14.279 -3.915 8.349 106 H LYS 20 H LYS 20 -16.609 -1.965 5.913 107 HA LYS 20 HA LYS 20 -14.270 -2.631 4.161 108 1HB LYS 20 HB2 LYS 20 -17.201 -3.302 3.777 109 2HB LYS 20 HB1 LYS 20 -15.922 -3.667 2.622 110 1HG LYS 20 HG2 LYS 20 -14.800 -5.094 4.265 111 2HG LYS 20 HG1 LYS 20 -16.007 -4.676 5.482 112 1HD LYS 20 HD2 LYS 20 -17.740 -5.806 4.304 113 2HD LYS 20 HD1 LYS 20 -16.764 -5.931 2.838 114 1HE LYS 20 HE2 LYS 20 -15.127 -7.327 4.239 115 2HE LYS 20 HE1 LYS 20 -16.413 -7.423 5.443 116 1HZ LYS 20 HZ1 LYS 20 -17.185 -8.022 2.710 117 2HZ LYS 20 HZ2 LYS 20 -17.638 -8.780 4.160 118 3HZ LYS 20 HZ3 LYS 20 -16.144 -9.146 3.438 119 H LEU 21 H LEU 21 -14.660 -1.866 1.821 120 HA LEU 21 HA LEU 21 -14.982 0.980 1.816 121 1HB LEU 21 HB2 LEU 21 -14.756 -1.107 -0.338 122 2HB LEU 21 HB1 LEU 21 -15.093 0.576 -0.751 123 HG LEU 21 HG LEU 21 -12.935 0.279 1.214 124 1HD1 LEU 21 1HD1 LEU 21 -12.895 -1.701 -0.651 125 2HD1 LEU 21 2HD1 LEU 21 -11.441 -0.989 0.046 126 3HD1 LEU 21 3HD1 LEU 21 -12.035 -0.429 -1.516 127 1HD2 LEU 21 1HD2 LEU 21 -13.832 2.135 -0.655 128 2HD2 LEU 21 2HD2 LEU 21 -12.345 1.515 -1.371 129 3HD2 LEU 21 3HD2 LEU 21 -12.318 2.228 0.243 130 H ARG 22 H ARG 22 -16.764 2.240 1.338 131 HA ARG 22 HA ARG 22 -19.350 0.811 1.206 132 1HB ARG 22 HB2 ARG 22 -18.434 3.311 2.324 133 2HB ARG 22 HB1 ARG 22 -19.825 3.581 1.272 134 1HG ARG 22 HG2 ARG 22 -20.168 1.202 2.919 135 2HG ARG 22 HG1 ARG 22 -19.908 2.645 3.902 136 1HD ARG 22 HD2 ARG 22 -21.774 3.759 2.962 137 2HD ARG 22 HD1 ARG 22 -21.862 2.641 1.601 138 HE ARG 22 HE ARG 22 -22.522 0.895 3.378 139 1HH1 ARG 22 1HH2 ARG 22 -23.944 3.855 2.826 140 2HH1 ARG 22 2HH2 ARG 22 -24.880 3.892 4.283 141 1HH2 ARG 22 1HH1 ARG 22 -23.331 1.112 5.662 142 2HH2 ARG 22 2HH1 ARG 22 -24.536 2.335 5.887 143 HA PRO 23 HA PRO 23 -19.825 3.565 -2.640 144 1HB PRO 23 HB2 PRO 23 -17.757 5.237 -3.334 145 2HB PRO 23 HB1 PRO 23 -19.083 5.710 -2.257 146 1HG PRO 23 HG2 PRO 23 -16.258 5.040 -1.576 147 2HG PRO 23 HG1 PRO 23 -17.403 6.081 -0.715 148 1HD PRO 23 HD2 PRO 23 -16.711 3.436 -0.004 149 2HD PRO 23 HD1 PRO 23 -18.083 4.365 0.636 150 H GLY 24 H GLY 24 -18.390 3.952 -4.898 151 1HA GLY 24 HA2 GLY 24 -17.389 1.288 -5.518 152 2HA GLY 24 HA1 GLY 24 -17.468 2.648 -6.638 153 H ALA 25 H ALA 25 -15.759 2.062 -3.546 154 HA ALA 25 HA ALA 25 -13.295 3.129 -4.840 155 1HB ALA 25 HB1 ALA 25 -13.572 4.454 -2.968 156 2HB ALA 25 HB2 ALA 25 -12.651 3.137 -2.242 157 3HB ALA 25 HB3 ALA 25 -14.405 3.189 -2.067 158 H GLN 26 H GLN 26 -11.840 1.575 -5.415 159 HA GLN 26 HA GLN 26 -12.081 -1.160 -4.508 160 1HB GLN 26 HB2 GLN 26 -10.690 0.212 -6.552 161 2HB GLN 26 HB1 GLN 26 -9.458 -0.573 -5.561 162 1HG GLN 26 HG2 GLN 26 -10.011 -2.594 -6.379 163 2HG GLN 26 HG1 GLN 26 -11.697 -2.347 -5.934 164 1HE2 GLN 26 1HE2 GLN 26 -12.755 -0.537 -7.544 165 2HE2 GLN 26 2HE2 GLN 26 -12.474 -0.846 -9.188 166 H CYS 27 H CYS 27 -10.853 1.578 -3.023 167 HA CYS 27 HA CYS 27 -9.682 0.012 -0.871 168 1HB CYS 27 HB2 CYS 27 -7.641 -0.065 -1.951 169 2HB CYS 27 HB1 CYS 27 -7.970 1.374 -2.906 170 H GLY 28 H GLY 28 -9.853 1.177 1.021 171 1HA GLY 28 HA2 GLY 28 -11.060 3.857 0.806 172 2HA GLY 28 HA1 GLY 28 -10.927 2.903 2.282 173 H GLU 29 H GLU 29 -8.021 2.376 1.627 174 HA GLU 29 HA GLU 29 -6.690 4.954 1.641 175 1HB GLU 29 HB2 GLU 29 -7.728 4.828 3.949 176 2HB GLU 29 HB1 GLU 29 -6.705 3.425 4.259 177 1HG GLU 29 HG2 GLU 29 -4.760 4.989 3.480 178 2HG GLU 29 HG1 GLU 29 -5.900 6.291 3.824 179 H GLY 30 H GLY 30 -4.346 4.682 1.712 180 1HA GLY 30 HA2 GLY 30 -2.838 2.438 2.242 181 2HA GLY 30 HA1 GLY 30 -3.502 2.101 0.644 182 H LEU 31 H LEU 31 -0.744 2.396 0.969 183 HA LEU 31 HA LEU 31 0.148 5.096 0.481 184 1HB LEU 31 HB2 LEU 31 1.369 2.369 0.298 185 2HB LEU 31 HB1 LEU 31 2.188 3.705 -0.509 186 HG LEU 31 HG LEU 31 1.439 3.548 2.421 187 1HD1 LEU 31 1HD1 LEU 31 3.727 2.714 0.959 188 2HD1 LEU 31 2HD1 LEU 31 3.527 2.766 2.711 189 3HD1 LEU 31 3HD1 LEU 31 4.187 4.161 1.856 190 1HD2 LEU 31 1HD2 LEU 31 1.193 5.817 2.056 191 2HD2 LEU 31 2HD2 LEU 31 2.264 5.813 0.654 192 3HD2 LEU 31 3HD2 LEU 31 2.941 5.753 2.282 193 H CYS 32 H CYS 32 -1.029 2.513 -1.572 194 HA CYS 32 HA CYS 32 -0.519 4.279 -3.930 195 1HB CYS 32 HB2 CYS 32 -0.560 1.265 -3.712 196 2HB CYS 32 HB1 CYS 32 -0.629 2.111 -5.257 197 H CYS 33 H CYS 33 -2.752 4.885 -2.582 198 HA CYS 33 HA CYS 33 -4.925 3.558 -4.152 199 1HB CYS 33 HB2 CYS 33 -4.899 4.616 -1.321 200 2HB CYS 33 HB1 CYS 33 -6.407 4.378 -2.205 201 H GLU 34 H GLU 34 -5.088 5.018 -5.841 202 HA GLU 34 HA GLU 34 -5.181 7.912 -5.248 203 1HB GLU 34 HB2 GLU 34 -3.864 7.188 -7.195 204 2HB GLU 34 HB1 GLU 34 -5.285 6.397 -7.877 205 1HG GLU 34 HG2 GLU 34 -6.227 8.369 -8.549 206 2HG GLU 34 HG1 GLU 34 -5.628 9.250 -7.144 207 H GLN 35 H GLN 35 -7.107 8.848 -4.867 208 HA GLN 35 HA GLN 35 -9.395 9.221 -4.821 209 1HB GLN 35 HB2 GLN 35 -10.492 9.163 -6.849 210 2HB GLN 35 HB1 GLN 35 -8.832 9.035 -7.411 211 1HG GLN 35 HG2 GLN 35 -9.366 7.104 -8.432 212 2HG GLN 35 HG1 GLN 35 -9.716 6.381 -6.869 213 1HE2 GLN 35 1HE2 GLN 35 -11.143 6.432 -9.693 214 2HE2 GLN 35 2HE2 GLN 35 -12.764 6.709 -9.274 215 H CYS 36 H CYS 36 -8.313 6.967 -3.426 216 HA CYS 36 HA CYS 36 -9.128 5.169 -2.167 217 1HB CYS 36 HB2 CYS 36 -11.588 6.457 -3.216 218 2HB CYS 36 HB1 CYS 36 -11.750 4.781 -2.713 219 H LYS 37 H LYS 37 -8.489 5.088 -5.255 220 HA LYS 37 HA LYS 37 -9.664 2.373 -5.704 221 1HB LYS 37 HB2 LYS 37 -9.266 4.686 -7.456 222 2HB LYS 37 HB1 LYS 37 -8.604 3.199 -8.132 223 1HG LYS 37 HG2 LYS 37 -10.708 2.078 -7.976 224 2HG LYS 37 HG1 LYS 37 -11.391 3.353 -6.966 225 1HD LYS 37 HD2 LYS 37 -12.170 4.309 -8.852 226 2HD LYS 37 HD1 LYS 37 -10.496 4.665 -9.281 227 1HE LYS 37 HE2 LYS 37 -10.337 2.389 -10.320 228 2HE LYS 37 HE1 LYS 37 -12.060 2.174 -10.011 229 1HZ LYS 37 HZ1 LYS 37 -12.369 4.316 -11.274 230 2HZ LYS 37 HZ2 LYS 37 -11.894 2.970 -12.195 231 3HZ LYS 37 HZ3 LYS 37 -10.757 4.161 -11.776 232 H PHE 38 H PHE 38 -8.190 0.828 -6.825 233 HA PHE 38 HA PHE 38 -5.587 0.797 -5.564 234 1HB PHE 38 HB2 PHE 38 -6.847 -0.914 -7.720 235 2HB PHE 38 HB1 PHE 38 -5.227 -1.209 -7.089 236 HD1 PHE 38 HD1 PHE 38 -5.684 -0.439 -4.206 237 HD2 PHE 38 HD2 PHE 38 -8.033 -2.802 -6.916 238 HE1 PHE 38 HE1 PHE 38 -6.667 -1.663 -2.288 239 HE2 PHE 38 HE2 PHE 38 -9.014 -4.027 -4.997 240 HZ PHE 38 HZ PHE 38 -8.331 -3.457 -2.682 241 H SER 39 H SER 39 -3.855 1.937 -6.263 242 HA SER 39 HA SER 39 -3.786 3.410 -8.696 243 1HB SER 39 HB2 SER 39 -1.789 2.631 -6.622 244 2HB SER 39 HB1 SER 39 -1.165 3.193 -8.169 245 HG SER 39 HG SER 39 -2.937 4.522 -6.395 246 H ARG 40 H ARG 40 -1.552 2.903 -10.107 247 HA ARG 40 HA ARG 40 -2.068 0.174 -11.199 248 1HB ARG 40 HB2 ARG 40 -1.808 2.714 -12.431 249 2HB ARG 40 HB1 ARG 40 -0.374 1.791 -12.879 250 1HG ARG 40 HG2 ARG 40 -1.985 -0.138 -13.418 251 2HG ARG 40 HG1 ARG 40 -3.271 1.066 -13.326 252 1HD ARG 40 HD2 ARG 40 -2.683 2.021 -15.300 253 2HD ARG 40 HD1 ARG 40 -0.960 1.903 -14.946 254 HE ARG 40 HE ARG 40 -2.164 -0.680 -15.553 255 1HH1 ARG 40 1HH1 ARG 40 -1.176 2.292 -16.969 256 2HH1 ARG 40 2HH1 ARG 40 -0.500 1.553 -18.381 257 1HH2 ARG 40 1HH2 ARG 40 -1.123 -1.685 -17.310 258 2HH2 ARG 40 2HH2 ARG 40 -0.468 -0.698 -18.574 259 H ALA 41 H ALA 41 -0.292 -1.232 -11.577 260 HA ALA 41 HA ALA 41 1.790 -1.342 -9.744 261 1HB ALA 41 HB1 ALA 41 1.320 -3.194 -11.272 262 2HB ALA 41 HB2 ALA 41 3.016 -2.731 -11.415 263 3HB ALA 41 HB3 ALA 41 1.858 -2.228 -12.646 264 H GLY 42 H GLY 42 4.191 -0.971 -10.177 265 1HA GLY 42 HA2 GLY 42 5.947 0.486 -10.776 266 2HA GLY 42 HA1 GLY 42 4.947 1.037 -12.121 267 H LYS 43 H LYS 43 3.544 1.083 -8.962 268 HA LYS 43 HA LYS 43 3.467 4.045 -9.072 269 1HB LYS 43 HB2 LYS 43 1.329 3.099 -8.657 270 2HB LYS 43 HB1 LYS 43 1.974 1.959 -7.478 271 1HG LYS 43 HG2 LYS 43 0.794 3.803 -6.348 272 2HG LYS 43 HG1 LYS 43 2.516 3.837 -5.964 273 1HD LYS 43 HD2 LYS 43 2.325 6.036 -6.554 274 2HD LYS 43 HD1 LYS 43 2.501 5.391 -8.185 275 1HE LYS 43 HE2 LYS 43 -0.236 5.115 -7.485 276 2HE LYS 43 HE1 LYS 43 0.246 6.751 -7.034 277 1HZ LYS 43 HZ1 LYS 43 0.324 5.463 -9.683 278 2HZ LYS 43 HZ2 LYS 43 1.351 6.771 -9.336 279 3HZ LYS 43 HZ3 LYS 43 -0.334 6.963 -9.245 280 H ILE 44 H ILE 44 5.206 5.016 -8.137 281 HA ILE 44 HA ILE 44 6.964 3.882 -6.249 282 HB ILE 44 HB ILE 44 6.348 6.628 -7.209 283 1HG1 ILE 44 2HG1 ILE 44 8.063 5.085 -8.183 284 2HG1 ILE 44 1HG1 ILE 44 8.745 6.617 -7.629 285 1HG2 ILE 44 1HG2 ILE 44 7.761 6.087 -4.582 286 2HG2 ILE 44 2HG2 ILE 44 6.395 7.167 -4.864 287 3HG2 ILE 44 3HG2 ILE 44 7.986 7.573 -5.506 288 1HD1 ILE 44 1HD1 ILE 44 9.354 3.934 -6.734 289 2HD1 ILE 44 2HD1 ILE 44 8.782 4.913 -5.384 290 3HD1 ILE 44 3HD1 ILE 44 10.167 5.447 -6.334 291 H CYS 45 H CYS 45 6.695 3.369 -4.149 292 HA CYS 45 HA CYS 45 4.534 4.762 -2.620 293 1HB CYS 45 HB2 CYS 45 4.366 2.571 -1.336 294 2HB CYS 45 HB1 CYS 45 3.771 2.531 -2.995 295 H ARG 46 H ARG 46 7.852 4.171 -2.834 296 HA ARG 46 HA ARG 46 8.296 5.375 -0.209 297 1HB ARG 46 HB2 ARG 46 8.276 2.539 -0.428 298 2HB ARG 46 HB1 ARG 46 9.957 3.036 -0.235 299 1HG ARG 46 HG2 ARG 46 9.534 4.107 1.821 300 2HG ARG 46 HG1 ARG 46 7.797 4.187 1.522 301 1HD ARG 46 HD2 ARG 46 8.149 1.509 1.417 302 2HD ARG 46 HD1 ARG 46 9.438 1.933 2.544 303 HE ARG 46 HE ARG 46 6.605 2.779 3.009 304 1HH1 ARG 46 1HH2 ARG 46 8.745 3.762 4.858 305 2HH1 ARG 46 2HH2 ARG 46 8.684 2.595 6.136 306 1HH2 ARG 46 1HH1 ARG 46 6.902 0.265 4.287 307 2HH2 ARG 46 2HH1 ARG 46 7.644 0.616 5.812 308 H ILE 47 H ILE 47 10.778 5.546 0.159 309 HA ILE 47 HA ILE 47 12.182 5.701 -2.471 310 HB ILE 47 HB ILE 47 11.302 7.942 -1.553 311 1HG1 ILE 47 2HG1 ILE 47 14.303 7.801 -1.898 312 2HG1 ILE 47 1HG1 ILE 47 13.189 7.551 -3.243 313 1HG2 ILE 47 1HG2 ILE 47 12.089 7.291 0.820 314 2HG2 ILE 47 2HG2 ILE 47 12.417 8.938 0.283 315 3HG2 ILE 47 3HG2 ILE 47 13.704 7.732 0.264 316 1HD1 ILE 47 1HD1 ILE 47 13.940 9.909 -3.098 317 2HD1 ILE 47 2HD1 ILE 47 13.256 10.012 -1.477 318 3HD1 ILE 47 3HD1 ILE 47 12.198 9.759 -2.865 319 HA PRO 48 HA PRO 48 15.310 3.592 -0.171 320 1HB PRO 48 HB2 PRO 48 17.270 3.731 -2.091 321 2HB PRO 48 HB1 PRO 48 15.896 2.614 -2.177 322 1HG PRO 48 HG2 PRO 48 16.392 5.092 -3.745 323 2HG PRO 48 HG1 PRO 48 15.384 3.693 -4.149 324 1HD PRO 48 HD2 PRO 48 14.482 6.212 -3.165 325 2HD PRO 48 HD1 PRO 48 13.507 4.745 -3.372 326 H ARG 49 H ARG 49 16.694 4.398 1.380 327 HA ARG 49 HA ARG 49 17.898 7.087 0.892 328 1HB ARG 49 HB2 ARG 49 16.603 5.863 3.179 329 2HB ARG 49 HB1 ARG 49 18.236 6.384 3.599 330 1HG ARG 49 HG2 ARG 49 17.803 8.626 3.024 331 2HG ARG 49 HG1 ARG 49 16.389 8.200 2.060 332 1HD ARG 49 HD2 ARG 49 16.637 8.108 5.077 333 2HD ARG 49 HD1 ARG 49 15.589 9.157 4.123 334 HE ARG 49 HE ARG 49 14.863 6.546 3.423 335 1HH1 ARG 49 1HH1 ARG 49 15.736 6.847 6.531 336 2HH1 ARG 49 2HH1 ARG 49 14.153 6.769 7.228 337 1HH2 ARG 49 1HH2 ARG 49 12.512 7.144 4.197 338 2HH2 ARG 49 2HH2 ARG 49 12.327 6.937 5.906 339 H GLY 50 H GLY 50 19.921 6.762 0.057 340 1HA GLY 50 HA2 GLY 50 22.244 6.284 1.073 341 2HA GLY 50 HA1 GLY 50 21.620 4.655 1.324 342 H GLU 51 H GLU 51 20.878 3.502 -0.691 343 HA GLU 51 HA GLU 51 21.620 4.440 -3.303 344 1HB GLU 51 HB2 GLU 51 23.884 4.013 -2.089 345 2HB GLU 51 HB1 GLU 51 23.490 2.305 -2.286 346 1HG GLU 51 HG2 GLU 51 24.734 2.803 -4.225 347 2HG GLU 51 HG1 GLU 51 23.061 2.911 -4.774 348 H MET 52 H MET 52 19.302 3.325 -2.622 349 HA MET 52 HA MET 52 19.475 0.568 -3.764 350 1HB MET 52 HB2 MET 52 17.200 1.059 -1.949 351 2HB MET 52 HB1 MET 52 18.246 -0.352 -2.081 352 1HG MET 52 HG2 MET 52 20.052 1.056 -0.938 353 2HG MET 52 HG1 MET 52 18.772 2.211 -0.565 354 1HE MET 52 HE1 MET 52 20.844 0.459 0.959 355 2HE MET 52 HE2 MET 52 20.135 -0.506 2.250 356 3HE MET 52 HE3 MET 52 19.908 1.240 2.242 357 HA PRO 53 HA PRO 53 16.292 1.863 -6.495 358 1HB PRO 53 HB2 PRO 53 14.791 -0.430 -6.721 359 2HB PRO 53 HB1 PRO 53 16.387 -0.226 -7.465 360 1HG PRO 53 HG2 PRO 53 15.624 -1.822 -5.064 361 2HG PRO 53 HG1 PRO 53 16.977 -2.055 -6.182 362 1HD PRO 53 HD2 PRO 53 17.134 -0.894 -3.606 363 2HD PRO 53 HD1 PRO 53 18.398 -0.840 -4.854 364 H ASP 54 H ASP 54 14.140 2.675 -6.518 365 HA ASP 54 HA ASP 54 12.867 3.004 -3.940 366 1HB ASP 54 HB2 ASP 54 11.724 3.588 -6.689 367 2HB ASP 54 HB1 ASP 54 11.176 4.262 -5.152 368 H ASP 55 H ASP 55 10.250 2.638 -4.115 369 HA ASP 55 HA ASP 55 9.922 -0.245 -4.848 370 1HB ASP 55 HB2 ASP 55 9.089 1.325 -2.440 371 2HB ASP 55 HB1 ASP 55 8.045 0.009 -2.979 372 H ARG 56 H ARG 56 8.113 -0.761 -6.073 373 HA ARG 56 HA ARG 56 6.181 1.457 -6.603 374 1HB ARG 56 HB2 ARG 56 7.042 -0.523 -8.709 375 2HB ARG 56 HB1 ARG 56 6.179 0.999 -8.923 376 1HG ARG 56 HG2 ARG 56 8.574 1.661 -7.586 377 2HG ARG 56 HG1 ARG 56 9.027 0.535 -8.867 378 1HD ARG 56 HD2 ARG 56 7.893 1.897 -10.535 379 2HD ARG 56 HD1 ARG 56 7.286 2.981 -9.282 380 HE ARG 56 HE ARG 56 10.016 3.096 -8.932 381 1HH1 ARG 56 1HH1 ARG 56 7.663 4.434 -10.903 382 2HH1 ARG 56 2HH1 ARG 56 8.760 5.105 -12.064 383 1HH2 ARG 56 1HH2 ARG 56 11.547 3.524 -10.737 384 2HH2 ARG 56 2HH2 ARG 56 10.959 4.590 -11.970 385 H CYS 57 H CYS 57 4.188 0.841 -5.999 386 HA CYS 57 HA CYS 57 3.451 -1.757 -5.180 387 1HB CYS 57 HB2 CYS 57 1.721 0.474 -6.293 388 2HB CYS 57 HB1 CYS 57 1.097 -0.956 -5.472 389 H THR 58 H THR 58 1.898 -3.239 -6.290 390 HA THR 58 HA THR 58 2.684 -3.565 -9.120 391 HB THR 58 HB THR 58 1.840 -5.796 -8.935 392 HG1 THR 58 HG1 THR 58 -0.031 -5.753 -7.933 393 1HG2 THR 58 1HG2 THR 58 2.887 -5.242 -6.162 394 2HG2 THR 58 2HG2 THR 58 3.931 -5.132 -7.579 395 3HG2 THR 58 3HG2 THR 58 3.156 -6.663 -7.171 396 H GLY 59 H GLY 59 0.606 -1.565 -7.962 397 1HA GLY 59 HA2 GLY 59 -1.241 -0.554 -9.076 398 2HA GLY 59 HA1 GLY 59 -1.309 -1.945 -10.159 399 H GLN 60 H GLN 60 -1.750 -4.081 -8.674 400 HA GLN 60 HA GLN 60 -4.415 -3.612 -7.548 401 1HB GLN 60 HB2 GLN 60 -2.902 -6.227 -7.486 402 2HB GLN 60 HB1 GLN 60 -4.647 -5.973 -7.540 403 1HG GLN 60 HG2 GLN 60 -3.746 -4.654 -9.808 404 2HG GLN 60 HG1 GLN 60 -2.719 -6.087 -9.740 405 1HE2 GLN 60 1HE2 GLN 60 -4.841 -7.690 -8.327 406 2HE2 GLN 60 2HE2 GLN 60 -5.994 -8.057 -9.518 407 H SER 61 H SER 61 -1.449 -3.121 -6.288 408 HA SER 61 HA SER 61 -2.142 -4.243 -3.611 409 1HB SER 61 HB2 SER 61 0.052 -4.915 -4.125 410 2HB SER 61 HB1 SER 61 0.440 -3.383 -4.900 411 HG SER 61 HG SER 61 0.840 -4.102 -2.384 412 H ALA 62 H ALA 62 -3.708 -2.561 -3.146 413 HA ALA 62 HA ALA 62 -3.398 0.200 -3.347 414 1HB ALA 62 HB1 ALA 62 -4.551 -0.064 -0.852 415 2HB ALA 62 HB2 ALA 62 -4.903 -1.624 -1.598 416 3HB ALA 62 HB3 ALA 62 -5.426 -0.134 -2.382 417 H ASP 63 H ASP 63 -1.940 -1.984 -0.974 418 HA ASP 63 HA ASP 63 -0.639 0.310 0.381 419 1HB ASP 63 HB2 ASP 63 -0.076 -2.561 1.056 420 2HB ASP 63 HB1 ASP 63 -0.138 -1.158 2.123 421 H CYS 64 H CYS 64 1.832 -0.653 1.026 422 HA CYS 64 HA CYS 64 3.069 -1.348 -1.602 423 1HB CYS 64 HB2 CYS 64 3.447 1.003 -1.279 424 2HB CYS 64 HB1 CYS 64 3.988 0.747 0.379 425 HA PRO 65 HA PRO 65 4.708 -4.408 1.188 426 1HB PRO 65 HB2 PRO 65 5.131 -6.201 -0.839 427 2HB PRO 65 HB1 PRO 65 3.575 -6.008 -0.029 428 1HG PRO 65 HG2 PRO 65 4.390 -5.203 -2.759 429 2HG PRO 65 HG1 PRO 65 2.763 -5.453 -2.105 430 1HD PRO 65 HD2 PRO 65 4.083 -2.953 -2.540 431 2HD PRO 65 HD1 PRO 65 2.511 -3.208 -1.759 432 H ARG 66 H ARG 66 6.738 -6.088 0.136 433 HA ARG 66 HA ARG 66 8.963 -4.154 -0.034 434 1HB ARG 66 HB2 ARG 66 10.370 -6.254 0.121 435 2HB ARG 66 HB1 ARG 66 9.298 -5.988 1.496 436 1HG ARG 66 HG2 ARG 66 7.848 -7.698 0.872 437 2HG ARG 66 HG1 ARG 66 8.307 -7.602 -0.829 438 1HD ARG 66 HD2 ARG 66 9.234 -9.639 0.177 439 2HD ARG 66 HD1 ARG 66 10.536 -8.535 -0.266 440 HE ARG 66 HE ARG 66 9.515 -8.599 2.540 441 1HH1 ARG 66 1HH2 ARG 66 11.769 -10.211 0.731 442 2HH1 ARG 66 2HH2 ARG 66 13.155 -9.689 1.628 443 1HH2 ARG 66 1HH1 ARG 66 11.404 -7.334 3.474 444 2HH2 ARG 66 2HH1 ARG 66 12.948 -8.063 3.183 445 H TYR 67 H TYR 67 10.713 -4.620 -1.682 446 HA TYR 67 HA TYR 67 9.493 -4.798 -4.323 447 1HB TYR 67 HB2 TYR 67 12.056 -4.755 -4.985 448 2HB TYR 67 HB1 TYR 67 11.265 -3.301 -4.381 449 HD1 TYR 67 HD1 TYR 67 12.376 -6.350 -2.514 450 HD2 TYR 67 HD2 TYR 67 12.935 -2.145 -3.193 451 HE1 TYR 67 HE1 TYR 67 13.976 -6.256 -0.623 452 HE2 TYR 67 HE2 TYR 67 14.535 -2.053 -1.302 453 HH TYR 67 HH TYR 67 15.634 -3.216 0.232 454 H HIS 68 H HIS 68 8.711 -7.093 -3.670 455 HA HIS 68 HA HIS 68 8.825 -9.394 -4.103 456 1HB HIS 68 HB2 HIS 68 9.717 -8.391 -6.317 457 2HB HIS 68 HB1 HIS 68 11.313 -8.844 -5.719 458 HD1 HIS 68 HD1 HIS 68 11.964 -11.014 -6.753 459 HD2 HIS 68 HD2 HIS 68 7.914 -10.951 -5.766 460 HE1 HIS 68 HE1 HIS 68 11.050 -13.304 -7.332 Start of MODEL 18 1 1H GLY 1 HT1 GLY 1 -17.051 -11.863 0.604 2 2H GLY 1 HT2 GLY 1 -16.641 -12.435 2.151 3 3H GLY 1 HT3 GLY 1 -16.022 -13.201 0.767 4 1HA GLY 1 HA1 GLY 1 -14.467 -11.608 0.374 5 2HA GLY 1 HA2 GLY 1 -15.450 -10.353 1.130 6 H LYS 2 H LYS 2 -12.884 -10.367 1.936 7 HA LYS 2 HA LYS 2 -12.306 -12.142 4.130 8 1HB LYS 2 HB2 LYS 2 -11.033 -9.898 2.809 9 2HB LYS 2 HB1 LYS 2 -10.882 -9.757 4.561 10 1HG LYS 2 HG2 LYS 2 -9.064 -11.116 4.146 11 2HG LYS 2 HG1 LYS 2 -10.304 -12.354 4.348 12 1HD LYS 2 HD2 LYS 2 -10.675 -12.026 1.773 13 2HD LYS 2 HD1 LYS 2 -9.056 -11.327 1.814 14 1HE LYS 2 HE2 LYS 2 -8.146 -13.382 1.891 15 2HE LYS 2 HE1 LYS 2 -9.050 -13.744 3.361 16 1HZ LYS 2 HZ1 LYS 2 -10.283 -13.898 0.675 17 2HZ LYS 2 HZ2 LYS 2 -10.846 -14.565 2.132 18 3HZ LYS 2 HZ3 LYS 2 -9.475 -15.217 1.371 19 H GLU 3 H GLU 3 -12.372 -8.649 4.695 20 HA GLU 3 HA GLU 3 -14.754 -8.595 6.268 21 1HB GLU 3 HB2 GLU 3 -12.526 -9.837 7.546 22 2HB GLU 3 HB1 GLU 3 -12.809 -8.283 8.333 23 1HG GLU 3 HG2 GLU 3 -15.370 -9.333 7.946 24 2HG GLU 3 HG1 GLU 3 -14.402 -10.720 8.447 25 H CYS 4 H CYS 4 -11.487 -7.294 5.908 26 HA CYS 4 HA CYS 4 -12.711 -4.579 6.052 27 1HB CYS 4 HB2 CYS 4 -11.499 -5.148 8.190 28 2HB CYS 4 HB1 CYS 4 -10.015 -5.271 7.246 29 H ASP 5 H ASP 5 -12.392 -3.623 4.133 30 HA ASP 5 HA ASP 5 -10.033 -4.377 2.483 31 1HB ASP 5 HB2 ASP 5 -12.755 -3.308 1.933 32 2HB ASP 5 HB1 ASP 5 -11.461 -2.699 0.899 33 H CYS 6 H CYS 6 -10.380 -2.393 4.893 34 HA CYS 6 HA CYS 6 -8.705 -0.269 3.670 35 1HB CYS 6 HB2 CYS 6 -10.068 1.488 4.756 36 2HB CYS 6 HB1 CYS 6 -11.048 0.549 3.634 37 H SER 7 H SER 7 -7.971 1.236 5.679 38 HA SER 7 HA SER 7 -7.555 -0.533 8.047 39 1HB SER 7 HB2 SER 7 -5.432 1.144 6.670 40 2HB SER 7 HB1 SER 7 -5.206 0.247 8.168 41 HG SER 7 HG SER 7 -4.668 -1.299 6.838 42 H SER 8 H SER 8 -9.444 1.623 7.716 43 HA SER 8 HA SER 8 -8.620 3.271 9.996 44 1HB SER 8 HB2 SER 8 -9.154 4.506 7.282 45 2HB SER 8 HB1 SER 8 -9.052 5.416 8.786 46 HG SER 8 HG SER 8 -6.925 4.098 8.901 47 HA PRO 9 HA PRO 9 -13.045 2.672 10.314 48 1HB PRO 9 HB2 PRO 9 -13.223 3.576 12.904 49 2HB PRO 9 HB1 PRO 9 -12.689 1.943 12.471 50 1HG PRO 9 HG2 PRO 9 -11.065 4.261 13.411 51 2HG PRO 9 HG1 PRO 9 -10.743 2.526 13.572 52 1HD PRO 9 HD2 PRO 9 -9.544 4.264 11.688 53 2HD PRO 9 HD1 PRO 9 -9.498 2.488 11.647 54 H GLU 10 H GLU 10 -11.240 5.620 10.783 55 HA GLU 10 HA GLU 10 -13.675 7.287 10.922 56 1HB GLU 10 HB2 GLU 10 -12.078 9.174 11.047 57 2HB GLU 10 HB1 GLU 10 -11.693 7.937 12.244 58 1HG GLU 10 HG2 GLU 10 -9.945 7.028 10.815 59 2HG GLU 10 HG1 GLU 10 -10.381 8.143 9.520 60 H ASN 11 H ASN 11 -11.560 5.975 8.569 61 HA ASN 11 HA ASN 11 -11.734 7.973 6.535 62 1HB ASN 11 HB2 ASN 11 -10.102 6.307 6.192 63 2HB ASN 11 HB1 ASN 11 -11.233 5.001 6.538 64 1HD2 ASN 11 1HD2 ASN 11 -10.819 3.955 4.471 65 2HD2 ASN 11 2HD2 ASN 11 -11.384 4.615 3.014 66 HA PRO 12 HA PRO 12 -16.053 7.412 5.600 67 1HB PRO 12 HB2 PRO 12 -16.112 9.195 3.504 68 2HB PRO 12 HB1 PRO 12 -16.147 9.678 5.209 69 1HG PRO 12 HG2 PRO 12 -13.894 9.835 3.260 70 2HG PRO 12 HG1 PRO 12 -14.216 10.834 4.687 71 1HD PRO 12 HD2 PRO 12 -12.332 8.738 4.543 72 2HD PRO 12 HD1 PRO 12 -12.934 9.493 6.034 73 H CYS 13 H CYS 13 -13.552 7.320 3.064 74 HA CYS 13 HA CYS 13 -15.066 6.171 0.978 75 1HB CYS 13 HB2 CYS 13 -12.557 6.951 1.083 76 2HB CYS 13 HB1 CYS 13 -12.254 5.275 1.516 77 H CYS 14 H CYS 14 -13.900 4.772 3.950 78 HA CYS 14 HA CYS 14 -14.827 2.091 3.000 79 1HB CYS 14 HB2 CYS 14 -12.485 1.981 3.521 80 2HB CYS 14 HB1 CYS 14 -12.719 2.861 5.030 81 H ASP 15 H ASP 15 -16.485 1.157 4.110 82 HA ASP 15 HA ASP 15 -17.895 2.708 6.116 83 1HB ASP 15 HB2 ASP 15 -18.808 0.970 4.367 84 2HB ASP 15 HB1 ASP 15 -18.423 -0.209 5.620 85 H ALA 16 H ALA 16 -17.450 2.713 8.256 86 HA ALA 16 HA ALA 16 -15.443 0.948 9.384 87 1HB ALA 16 HB1 ALA 16 -16.389 3.418 10.056 88 2HB ALA 16 HB2 ALA 16 -15.461 2.391 11.150 89 3HB ALA 16 HB3 ALA 16 -17.222 2.410 11.240 90 H ALA 17 H ALA 17 -18.948 0.985 9.267 91 HA ALA 17 HA ALA 17 -19.597 -0.722 11.400 92 1HB ALA 17 HB1 ALA 17 -21.021 -1.351 8.902 93 2HB ALA 17 HB2 ALA 17 -20.974 0.371 9.281 94 3HB ALA 17 HB3 ALA 17 -21.655 -0.770 10.442 95 H THR 18 H THR 18 -18.317 -1.549 8.191 96 HA THR 18 HA THR 18 -17.961 -4.347 9.197 97 HB THR 18 HB THR 18 -19.554 -4.428 7.400 98 HG1 THR 18 HG1 THR 18 -17.002 -4.958 6.289 99 1HG2 THR 18 1HG2 THR 18 -19.618 -2.735 5.925 100 2HG2 THR 18 2HG2 THR 18 -18.161 -3.385 5.172 101 3HG2 THR 18 3HG2 THR 18 -18.029 -2.177 6.450 102 H CYS 19 H CYS 19 -16.410 -1.513 8.201 103 HA CYS 19 HA CYS 19 -14.089 -1.092 8.038 104 1HB CYS 19 HB2 CYS 19 -14.090 -3.330 9.491 105 2HB CYS 19 HB1 CYS 19 -13.460 -4.019 7.995 106 H LYS 20 H LYS 20 -16.043 -2.074 5.809 107 HA LYS 20 HA LYS 20 -13.900 -2.668 3.805 108 1HB LYS 20 HB2 LYS 20 -16.807 -3.515 3.809 109 2HB LYS 20 HB1 LYS 20 -15.696 -3.772 2.463 110 1HG LYS 20 HG2 LYS 20 -14.540 -4.679 4.977 111 2HG LYS 20 HG1 LYS 20 -16.076 -5.483 4.649 112 1HD LYS 20 HD2 LYS 20 -14.053 -5.208 2.445 113 2HD LYS 20 HD1 LYS 20 -13.857 -6.479 3.651 114 1HE LYS 20 HE2 LYS 20 -15.652 -7.661 2.888 115 2HE LYS 20 HE1 LYS 20 -16.587 -6.207 2.542 116 1HZ LYS 20 HZ1 LYS 20 -16.118 -7.021 0.453 117 2HZ LYS 20 HZ2 LYS 20 -14.558 -7.547 0.878 118 3HZ LYS 20 HZ3 LYS 20 -14.872 -5.890 0.667 119 H LEU 21 H LEU 21 -14.480 -1.894 1.560 120 HA LEU 21 HA LEU 21 -14.965 0.916 1.585 121 1HB LEU 21 HB2 LEU 21 -14.826 -1.166 -0.579 122 2HB LEU 21 HB1 LEU 21 -15.288 0.493 -0.965 123 HG LEU 21 HG LEU 21 -13.060 0.716 0.739 124 1HD1 LEU 21 1HD1 LEU 21 -12.984 -1.832 -0.334 125 2HD1 LEU 21 2HD1 LEU 21 -11.586 -0.928 0.248 126 3HD1 LEU 21 3HD1 LEU 21 -12.003 -0.902 -1.466 127 1HD2 LEU 21 1HD2 LEU 21 -12.147 1.043 -1.881 128 2HD2 LEU 21 2HD2 LEU 21 -12.869 2.294 -0.868 129 3HD2 LEU 21 3HD2 LEU 21 -13.876 1.368 -1.981 130 H ARG 22 H ARG 22 -16.846 2.053 1.496 131 HA ARG 22 HA ARG 22 -19.376 0.574 1.540 132 1HB ARG 22 HB2 ARG 22 -18.522 2.931 2.692 133 2HB ARG 22 HB1 ARG 22 -19.548 3.499 1.375 134 1HG ARG 22 HG2 ARG 22 -20.358 1.436 3.443 135 2HG ARG 22 HG1 ARG 22 -20.855 3.129 3.446 136 1HD ARG 22 HD2 ARG 22 -22.150 2.878 1.492 137 2HD ARG 22 HD1 ARG 22 -21.335 1.383 1.036 138 HE ARG 22 HE ARG 22 -22.817 0.207 2.452 139 1HH1 ARG 22 1HH2 ARG 22 -24.778 2.436 1.937 140 2HH1 ARG 22 2HH2 ARG 22 -25.250 2.871 3.546 141 1HH2 ARG 22 1HH1 ARG 22 -22.575 1.258 5.050 142 2HH2 ARG 22 2HH1 ARG 22 -24.003 2.203 5.308 143 HA PRO 23 HA PRO 23 -20.040 3.028 -2.496 144 1HB PRO 23 HB2 PRO 23 -17.919 4.477 -3.474 145 2HB PRO 23 HB1 PRO 23 -19.119 5.136 -2.349 146 1HG PRO 23 HG2 PRO 23 -16.301 4.339 -1.824 147 2HG PRO 23 HG1 PRO 23 -17.323 5.491 -0.949 148 1HD PRO 23 HD2 PRO 23 -16.717 2.827 -0.157 149 2HD PRO 23 HD1 PRO 23 -17.925 3.899 0.582 150 H GLY 24 H GLY 24 -18.518 3.222 -4.833 151 1HA GLY 24 HA2 GLY 24 -17.762 0.397 -5.236 152 2HA GLY 24 HA1 GLY 24 -17.962 1.606 -6.505 153 H ALA 25 H ALA 25 -16.101 2.551 -3.766 154 HA ALA 25 HA ALA 25 -13.749 3.015 -5.361 155 1HB ALA 25 HB1 ALA 25 -14.032 4.442 -3.487 156 2HB ALA 25 HB2 ALA 25 -12.700 3.383 -3.023 157 3HB ALA 25 HB3 ALA 25 -14.322 3.093 -2.394 158 H GLN 26 H GLN 26 -11.745 1.875 -5.327 159 HA GLN 26 HA GLN 26 -12.047 -1.000 -4.740 160 1HB GLN 26 HB2 GLN 26 -10.588 0.550 -6.627 161 2HB GLN 26 HB1 GLN 26 -9.409 -0.309 -5.635 162 1HG GLN 26 HG2 GLN 26 -9.877 -1.917 -7.249 163 2HG GLN 26 HG1 GLN 26 -11.040 -2.342 -5.993 164 1HE2 GLN 26 1HE2 GLN 26 -11.302 -2.755 -8.955 165 2HE2 GLN 26 2HE2 GLN 26 -12.714 -1.928 -9.405 166 H CYS 27 H CYS 27 -10.549 1.815 -3.387 167 HA CYS 27 HA CYS 27 -9.608 0.190 -1.109 168 1HB CYS 27 HB2 CYS 27 -7.571 0.157 -2.290 169 2HB CYS 27 HB1 CYS 27 -7.821 1.765 -2.958 170 H GLY 28 H GLY 28 -10.553 1.222 0.574 171 1HA GLY 28 HA2 GLY 28 -11.408 3.968 0.400 172 2HA GLY 28 HA1 GLY 28 -11.483 2.971 1.850 173 H GLU 29 H GLU 29 -8.522 2.376 1.457 174 HA GLU 29 HA GLU 29 -7.145 4.912 1.784 175 1HB GLU 29 HB2 GLU 29 -8.340 4.709 3.974 176 2HB GLU 29 HB1 GLU 29 -7.505 3.180 4.250 177 1HG GLU 29 HG2 GLU 29 -5.402 4.790 3.622 178 2HG GLU 29 HG1 GLU 29 -6.472 5.948 4.413 179 H GLY 30 H GLY 30 -4.854 4.587 1.823 180 1HA GLY 30 HA2 GLY 30 -3.387 2.328 2.402 181 2HA GLY 30 HA1 GLY 30 -4.014 1.989 0.792 182 H LEU 31 H LEU 31 -1.309 2.171 1.036 183 HA LEU 31 HA LEU 31 -0.246 4.822 0.689 184 1HB LEU 31 HB2 LEU 31 0.737 2.044 0.456 185 2HB LEU 31 HB1 LEU 31 1.570 3.217 -0.566 186 HG LEU 31 HG LEU 31 1.106 3.550 2.412 187 1HD1 LEU 31 1HD1 LEU 31 3.840 3.243 1.310 188 2HD1 LEU 31 2HD1 LEU 31 2.846 1.786 1.285 189 3HD1 LEU 31 3HD1 LEU 31 3.152 2.618 2.810 190 1HD2 LEU 31 1HD2 LEU 31 1.873 5.660 2.148 191 2HD2 LEU 31 2HD2 LEU 31 1.653 5.434 0.412 192 3HD2 LEU 31 3HD2 LEU 31 3.221 5.110 1.152 193 H CYS 32 H CYS 32 -1.087 2.251 -1.655 194 HA CYS 32 HA CYS 32 -0.812 4.289 -3.812 195 1HB CYS 32 HB2 CYS 32 -0.866 1.264 -3.888 196 2HB CYS 32 HB1 CYS 32 -0.880 2.276 -5.334 197 H CYS 33 H CYS 33 -2.973 5.009 -2.710 198 HA CYS 33 HA CYS 33 -5.197 3.669 -4.189 199 1HB CYS 33 HB2 CYS 33 -5.280 4.876 -1.403 200 2HB CYS 33 HB1 CYS 33 -6.685 4.274 -2.280 201 H GLU 34 H GLU 34 -5.559 5.116 -5.828 202 HA GLU 34 HA GLU 34 -5.626 8.018 -5.130 203 1HB GLU 34 HB2 GLU 34 -4.820 6.496 -7.568 204 2HB GLU 34 HB1 GLU 34 -5.575 8.072 -7.805 205 1HG GLU 34 HG2 GLU 34 -3.915 9.153 -6.429 206 2HG GLU 34 HG1 GLU 34 -3.235 7.599 -5.946 207 H GLN 35 H GLN 35 -7.525 9.117 -5.406 208 HA GLN 35 HA GLN 35 -9.801 9.456 -5.841 209 1HB GLN 35 HB2 GLN 35 -9.468 7.376 -8.015 210 2HB GLN 35 HB1 GLN 35 -10.640 8.692 -7.956 211 1HG GLN 35 HG2 GLN 35 -8.774 10.330 -8.068 212 2HG GLN 35 HG1 GLN 35 -7.632 8.991 -8.204 213 1HE2 GLN 35 1HE2 GLN 35 -7.126 10.067 -10.382 214 2HE2 GLN 35 2HE2 GLN 35 -8.108 9.671 -11.708 215 H CYS 36 H CYS 36 -8.862 7.328 -4.009 216 HA CYS 36 HA CYS 36 -9.855 5.652 -2.701 217 1HB CYS 36 HB2 CYS 36 -12.134 6.953 -4.083 218 2HB CYS 36 HB1 CYS 36 -12.434 5.330 -3.475 219 H LYS 37 H LYS 37 -8.586 5.111 -5.327 220 HA LYS 37 HA LYS 37 -9.873 2.460 -5.811 221 1HB LYS 37 HB2 LYS 37 -9.500 4.665 -7.708 222 2HB LYS 37 HB1 LYS 37 -8.797 3.148 -8.271 223 1HG LYS 37 HG2 LYS 37 -10.984 2.022 -7.708 224 2HG LYS 37 HG1 LYS 37 -11.658 3.621 -7.395 225 1HD LYS 37 HD2 LYS 37 -11.069 4.308 -9.702 226 2HD LYS 37 HD1 LYS 37 -10.446 2.687 -10.013 227 1HE LYS 37 HE2 LYS 37 -13.032 2.331 -8.933 228 2HE LYS 37 HE1 LYS 37 -13.174 3.625 -10.124 229 1HZ LYS 37 HZ1 LYS 37 -12.049 0.913 -10.551 230 2HZ LYS 37 HZ2 LYS 37 -11.943 2.171 -11.688 231 3HZ LYS 37 HZ3 LYS 37 -13.462 1.557 -11.234 232 H PHE 38 H PHE 38 -8.287 1.000 -7.047 233 HA PHE 38 HA PHE 38 -5.751 1.007 -5.632 234 1HB PHE 38 HB2 PHE 38 -6.887 -0.704 -7.853 235 2HB PHE 38 HB1 PHE 38 -5.278 -0.966 -7.181 236 HD1 PHE 38 HD2 PHE 38 -5.755 -0.317 -4.314 237 HD2 PHE 38 HD1 PHE 38 -8.123 -2.569 -7.102 238 HE1 PHE 38 HE2 PHE 38 -6.753 -1.594 -2.437 239 HE2 PHE 38 HE1 PHE 38 -9.120 -3.846 -5.225 240 HZ PHE 38 HZ PHE 38 -8.437 -3.358 -2.892 241 H SER 39 H SER 39 -3.907 2.017 -6.288 242 HA SER 39 HA SER 39 -3.810 3.641 -8.637 243 1HB SER 39 HB2 SER 39 -1.397 2.535 -7.188 244 2HB SER 39 HB1 SER 39 -1.522 4.051 -8.076 245 HG SER 39 HG SER 39 -2.854 4.846 -6.489 246 H ARG 40 H ARG 40 -1.430 3.089 -9.931 247 HA ARG 40 HA ARG 40 -2.077 0.496 -11.268 248 1HB ARG 40 HB2 ARG 40 -1.345 3.145 -12.237 249 2HB ARG 40 HB1 ARG 40 -0.269 1.905 -12.877 250 1HG ARG 40 HG2 ARG 40 -2.058 0.692 -13.851 251 2HG ARG 40 HG1 ARG 40 -3.267 1.556 -12.899 252 1HD ARG 40 HD2 ARG 40 -3.492 2.724 -14.869 253 2HD ARG 40 HD1 ARG 40 -2.176 3.658 -14.158 254 HE ARG 40 HE ARG 40 -1.508 1.379 -15.953 255 1HH1 ARG 40 1HH2 ARG 40 0.672 3.140 -15.088 256 2HH1 ARG 40 2HH2 ARG 40 0.792 4.290 -16.378 257 1HH2 ARG 40 1HH1 ARG 40 -2.337 3.554 -17.682 258 2HH2 ARG 40 2HH1 ARG 40 -0.910 4.522 -17.848 259 H ALA 41 H ALA 41 -0.360 -0.980 -11.697 260 HA ALA 41 HA ALA 41 1.632 -1.316 -9.765 261 1HB ALA 41 HB1 ALA 41 1.827 -3.203 -10.990 262 2HB ALA 41 HB2 ALA 41 2.769 -2.281 -12.162 263 3HB ALA 41 HB3 ALA 41 1.024 -2.445 -12.365 264 H GLY 42 H GLY 42 4.040 -1.051 -10.036 265 1HA GLY 42 HA2 GLY 42 5.910 0.304 -10.516 266 2HA GLY 42 HA1 GLY 42 5.033 0.909 -11.924 267 H LYS 43 H LYS 43 3.370 1.037 -8.916 268 HA LYS 43 HA LYS 43 3.469 3.991 -9.001 269 1HB LYS 43 HB2 LYS 43 1.270 3.100 -8.720 270 2HB LYS 43 HB1 LYS 43 1.804 1.999 -7.449 271 1HG LYS 43 HG2 LYS 43 0.598 3.999 -6.556 272 2HG LYS 43 HG1 LYS 43 2.249 3.866 -5.952 273 1HD LYS 43 HD2 LYS 43 1.617 6.188 -6.704 274 2HD LYS 43 HD1 LYS 43 3.030 5.526 -7.527 275 1HE LYS 43 HE2 LYS 43 1.920 5.279 -9.533 276 2HE LYS 43 HE1 LYS 43 0.358 5.017 -8.756 277 1HZ LYS 43 HZ1 LYS 43 1.775 7.624 -8.808 278 2HZ LYS 43 HZ2 LYS 43 0.200 7.328 -8.245 279 3HZ LYS 43 HZ3 LYS 43 0.555 7.185 -9.900 280 H ILE 44 H ILE 44 5.045 4.990 -7.868 281 HA ILE 44 HA ILE 44 6.709 3.747 -5.935 282 HB ILE 44 HB ILE 44 7.450 5.773 -7.013 283 1HG1 ILE 44 2HG1 ILE 44 7.824 7.268 -4.945 284 2HG1 ILE 44 1HG1 ILE 44 6.905 6.059 -4.051 285 1HG2 ILE 44 1HG2 ILE 44 6.061 7.499 -7.409 286 2HG2 ILE 44 2HG2 ILE 44 5.739 7.699 -5.686 287 3HG2 ILE 44 3HG2 ILE 44 4.777 6.568 -6.639 288 1HD1 ILE 44 1HD1 ILE 44 9.634 5.966 -4.570 289 2HD1 ILE 44 2HD1 ILE 44 8.951 4.857 -5.759 290 3HD1 ILE 44 3HD1 ILE 44 8.641 4.610 -4.040 291 H CYS 45 H CYS 45 6.198 3.101 -3.918 292 HA CYS 45 HA CYS 45 3.928 4.473 -2.533 293 1HB CYS 45 HB2 CYS 45 4.027 2.251 -1.121 294 2HB CYS 45 HB1 CYS 45 3.229 2.248 -2.692 295 H ARG 46 H ARG 46 7.282 3.914 -2.497 296 HA ARG 46 HA ARG 46 7.560 5.401 0.002 297 1HB ARG 46 HB2 ARG 46 7.874 2.468 -0.097 298 2HB ARG 46 HB1 ARG 46 9.238 3.323 0.625 299 1HG ARG 46 HG2 ARG 46 7.963 4.176 2.367 300 2HG ARG 46 HG1 ARG 46 6.463 4.103 1.440 301 1HD ARG 46 HD2 ARG 46 6.054 1.942 2.029 302 2HD ARG 46 HD1 ARG 46 7.754 1.489 1.918 303 HE ARG 46 HE ARG 46 6.412 2.108 4.342 304 1HH1 ARG 46 1HH2 ARG 46 9.036 0.823 4.424 305 2HH1 ARG 46 2HH2 ARG 46 10.079 2.069 5.022 306 1HH2 ARG 46 1HH1 ARG 46 7.854 4.635 4.319 307 2HH2 ARG 46 2HH1 ARG 46 9.410 4.228 4.963 308 H ILE 47 H ILE 47 9.159 6.798 -0.480 309 HA ILE 47 HA ILE 47 11.027 6.212 -2.656 310 HB ILE 47 HB ILE 47 9.889 8.481 -2.015 311 1HG1 ILE 47 2HG1 ILE 47 12.803 8.841 -2.531 312 2HG1 ILE 47 1HG1 ILE 47 11.892 7.845 -3.667 313 1HG2 ILE 47 1HG2 ILE 47 12.376 8.573 -0.282 314 2HG2 ILE 47 2HG2 ILE 47 10.724 8.475 0.328 315 3HG2 ILE 47 3HG2 ILE 47 11.251 9.902 -0.564 316 1HD1 ILE 47 1HD1 ILE 47 10.325 10.158 -3.077 317 2HD1 ILE 47 2HD1 ILE 47 11.040 9.692 -4.619 318 3HD1 ILE 47 3HD1 ILE 47 11.954 10.693 -3.491 319 HA PRO 48 HA PRO 48 14.163 4.678 0.070 320 1HB PRO 48 HB2 PRO 48 16.169 4.567 -1.803 321 2HB PRO 48 HB1 PRO 48 14.857 3.380 -1.706 322 1HG PRO 48 HG2 PRO 48 15.262 5.568 -3.686 323 2HG PRO 48 HG1 PRO 48 14.374 4.047 -3.863 324 1HD PRO 48 HD2 PRO 48 13.238 6.606 -3.399 325 2HD PRO 48 HD1 PRO 48 12.393 5.047 -3.298 326 H ARG 49 H ARG 49 14.804 6.300 1.521 327 HA ARG 49 HA ARG 49 16.028 8.783 0.620 328 1HB ARG 49 HB2 ARG 49 14.930 7.780 3.045 329 2HB ARG 49 HB1 ARG 49 16.599 8.240 3.383 330 1HG ARG 49 HG2 ARG 49 15.707 10.328 3.614 331 2HG ARG 49 HG1 ARG 49 15.807 10.346 1.852 332 1HD ARG 49 HD2 ARG 49 13.489 9.433 1.747 333 2HD ARG 49 HD1 ARG 49 13.395 9.541 3.505 334 HE ARG 49 HE ARG 49 14.143 12.094 2.451 335 1HH1 ARG 49 1HH2 ARG 49 11.589 9.996 1.693 336 2HH1 ARG 49 2HH2 ARG 49 10.335 11.148 2.012 337 1HH2 ARG 49 1HH1 ARG 49 12.498 13.548 3.275 338 2HH2 ARG 49 2HH1 ARG 49 10.850 13.161 2.906 339 H GLY 50 H GLY 50 17.790 7.785 -0.667 340 1HA GLY 50 HA1 GLY 50 20.304 7.999 -0.116 341 2HA GLY 50 HA2 GLY 50 19.993 6.700 1.035 342 H GLU 51 H GLU 51 21.402 5.239 -0.060 343 HA GLU 51 HA GLU 51 20.978 4.635 -2.891 344 1HB GLU 51 HB2 GLU 51 23.099 4.325 -1.167 345 2HB GLU 51 HB1 GLU 51 22.482 2.677 -1.288 346 1HG GLU 51 HG2 GLU 51 23.467 2.480 -3.299 347 2HG GLU 51 HG1 GLU 51 22.437 3.775 -3.909 348 H MET 52 H MET 52 18.547 4.249 -2.107 349 HA MET 52 HA MET 52 18.283 1.303 -1.656 350 1HB MET 52 HB2 MET 52 16.908 3.597 -0.336 351 2HB MET 52 HB1 MET 52 15.931 2.172 -0.696 352 1HG MET 52 HG2 MET 52 18.214 1.044 0.342 353 2HG MET 52 HG1 MET 52 18.071 2.522 1.295 354 1HE MET 52 HE1 MET 52 15.492 2.069 3.705 355 2HE MET 52 HE2 MET 52 15.272 3.153 2.335 356 3HE MET 52 HE3 MET 52 16.881 2.915 3.010 357 HA PRO 53 HA PRO 53 15.821 1.293 -5.286 358 1HB PRO 53 HB2 PRO 53 14.140 -0.806 -4.720 359 2HB PRO 53 HB1 PRO 53 15.846 -1.007 -5.157 360 1HG PRO 53 HG2 PRO 53 14.550 -1.269 -2.483 361 2HG PRO 53 HG1 PRO 53 16.024 -2.037 -3.095 362 1HD PRO 53 HD2 PRO 53 15.919 0.192 -1.356 363 2HD PRO 53 HD1 PRO 53 17.352 -0.374 -2.241 364 H ASP 54 H ASP 54 13.661 1.774 -6.097 365 HA ASP 54 HA ASP 54 12.025 3.273 -4.142 366 1HB ASP 54 HB2 ASP 54 11.476 2.996 -7.098 367 2HB ASP 54 HB1 ASP 54 11.008 4.309 -6.016 368 H ASP 55 H ASP 55 10.340 2.263 -3.159 369 HA ASP 55 HA ASP 55 9.428 -0.351 -3.948 370 1HB ASP 55 HB2 ASP 55 8.226 1.729 -2.098 371 2HB ASP 55 HB1 ASP 55 7.579 0.099 -2.291 372 H ARG 56 H ARG 56 7.785 -0.920 -5.336 373 HA ARG 56 HA ARG 56 6.032 1.267 -6.381 374 1HB ARG 56 HB2 ARG 56 7.100 -0.980 -8.092 375 2HB ARG 56 HB1 ARG 56 6.290 0.496 -8.612 376 1HG ARG 56 HG2 ARG 56 8.628 1.115 -7.011 377 2HG ARG 56 HG1 ARG 56 9.058 0.102 -8.388 378 1HD ARG 56 HD2 ARG 56 7.659 1.704 -9.814 379 2HD ARG 56 HD1 ARG 56 7.659 2.781 -8.418 380 HE ARG 56 HE ARG 56 10.119 2.915 -8.627 381 1HH1 ARG 56 1HH1 ARG 56 9.089 3.943 -11.229 382 2HH1 ARG 56 2HH1 ARG 56 10.013 3.034 -12.379 383 1HH2 ARG 56 1HH2 ARG 56 11.008 0.636 -10.082 384 2HH2 ARG 56 2HH2 ARG 56 11.098 1.162 -11.730 385 H CYS 57 H CYS 57 3.935 0.768 -6.058 386 HA CYS 57 HA CYS 57 3.089 -1.804 -5.093 387 1HB CYS 57 HB2 CYS 57 1.503 0.492 -6.285 388 2HB CYS 57 HB1 CYS 57 0.781 -0.911 -5.498 389 H THR 58 H THR 58 1.623 -3.292 -6.240 390 HA THR 58 HA THR 58 2.504 -3.705 -9.011 391 HB THR 58 HB THR 58 1.501 -5.849 -8.841 392 HG1 THR 58 HG1 THR 58 -0.070 -4.578 -6.890 393 1HG2 THR 58 1HG2 THR 58 3.418 -5.261 -7.187 394 2HG2 THR 58 2HG2 THR 58 2.516 -6.755 -6.926 395 3HG2 THR 58 3HG2 THR 58 2.161 -5.329 -5.951 396 H GLY 59 H GLY 59 0.369 -1.624 -7.831 397 1HA GLY 59 HA2 GLY 59 -1.267 -0.417 -9.086 398 2HA GLY 59 HA1 GLY 59 -1.286 -1.726 -10.267 399 H GLN 60 H GLN 60 -1.759 -3.899 -8.538 400 HA GLN 60 HA GLN 60 -4.610 -3.411 -7.906 401 1HB GLN 60 HB2 GLN 60 -3.204 -6.063 -7.650 402 2HB GLN 60 HB1 GLN 60 -4.899 -5.743 -8.018 403 1HG GLN 60 HG2 GLN 60 -4.289 -4.854 -10.215 404 2HG GLN 60 HG1 GLN 60 -2.577 -5.071 -9.849 405 1HE2 GLN 60 1HE2 GLN 60 -2.815 -6.501 -11.929 406 2HE2 GLN 60 2HE2 GLN 60 -3.241 -8.125 -11.682 407 H SER 61 H SER 61 -1.691 -3.282 -6.282 408 HA SER 61 HA SER 61 -2.882 -4.238 -3.721 409 1HB SER 61 HB2 SER 61 -0.011 -3.429 -4.244 410 2HB SER 61 HB1 SER 61 -0.636 -4.310 -2.854 411 HG SER 61 HG SER 61 -0.855 -6.081 -4.059 412 H ALA 62 H ALA 62 -4.013 -2.582 -2.789 413 HA ALA 62 HA ALA 62 -3.533 0.191 -3.194 414 1HB ALA 62 HB1 ALA 62 -5.132 -1.460 -1.341 415 2HB ALA 62 HB2 ALA 62 -5.581 0.003 -2.216 416 3HB ALA 62 HB3 ALA 62 -4.676 0.121 -0.707 417 H ASP 63 H ASP 63 -2.645 -1.844 -0.377 418 HA ASP 63 HA ASP 63 -0.924 0.267 0.691 419 1HB ASP 63 HB2 ASP 63 -1.352 -2.626 1.489 420 2HB ASP 63 HB1 ASP 63 -0.288 -1.518 2.355 421 H CYS 64 H CYS 64 1.438 -0.335 1.208 422 HA CYS 64 HA CYS 64 2.595 -1.803 -1.127 423 1HB CYS 64 HB2 CYS 64 2.951 0.681 -1.158 424 2HB CYS 64 HB1 CYS 64 3.854 0.519 0.348 425 HA PRO 65 HA PRO 65 4.393 -4.278 2.043 426 1HB PRO 65 HB2 PRO 65 5.584 -6.001 0.287 427 2HB PRO 65 HB1 PRO 65 3.871 -6.084 0.702 428 1HG PRO 65 HG2 PRO 65 5.166 -5.168 -1.807 429 2HG PRO 65 HG1 PRO 65 3.514 -5.752 -1.548 430 1HD PRO 65 HD2 PRO 65 4.337 -3.038 -1.827 431 2HD PRO 65 HD1 PRO 65 2.724 -3.620 -1.364 432 H ARG 66 H ARG 66 6.650 -4.603 -0.643 433 HA ARG 66 HA ARG 66 8.562 -2.667 0.410 434 1HB ARG 66 HB2 ARG 66 8.839 -5.604 0.960 435 2HB ARG 66 HB1 ARG 66 10.292 -4.656 0.641 436 1HG ARG 66 HG2 ARG 66 9.355 -2.999 2.396 437 2HG ARG 66 HG1 ARG 66 8.292 -4.325 2.873 438 1HD ARG 66 HD2 ARG 66 9.964 -5.289 4.026 439 2HD ARG 66 HD1 ARG 66 10.967 -5.334 2.576 440 HE ARG 66 HE ARG 66 10.979 -2.684 3.682 441 1HH1 ARG 66 1HH2 ARG 66 12.938 -5.247 3.024 442 2HH1 ARG 66 2HH2 ARG 66 14.003 -5.048 4.376 443 1HH2 ARG 66 1HH1 ARG 66 12.004 -2.686 5.943 444 2HH2 ARG 66 2HH1 ARG 66 13.476 -3.596 6.026 445 H TYR 67 H TYR 67 9.778 -5.591 -1.046 446 HA TYR 67 HA TYR 67 9.365 -4.837 -3.796 447 1HB TYR 67 HB2 TYR 67 11.029 -3.078 -2.933 448 2HB TYR 67 HB1 TYR 67 12.193 -4.399 -2.824 449 HD1 TYR 67 HD1 TYR 67 9.924 -2.592 -5.164 450 HD2 TYR 67 HD2 TYR 67 13.276 -5.251 -4.764 451 HE1 TYR 67 HE1 TYR 67 10.362 -2.406 -7.598 452 HE2 TYR 67 HE2 TYR 67 13.713 -5.064 -7.198 453 HH TYR 67 HH TYR 67 12.243 -4.497 -9.291 454 H HIS 68 H HIS 68 8.934 -7.248 -2.725 455 HA HIS 68 HA HIS 68 9.461 -9.519 -2.986 456 1HB HIS 68 HB2 HIS 68 11.121 -8.148 -5.059 457 2HB HIS 68 HB1 HIS 68 11.478 -9.838 -4.701 458 HD1 HIS 68 HD1 HIS 68 10.386 -11.108 -6.566 459 HD2 HIS 68 HD2 HIS 68 7.860 -8.187 -4.995 460 HE1 HIS 68 HE1 HIS 68 8.142 -11.416 -7.699 Start of MODEL 19 1 1H GLY 1 HT1 GLY 1 -9.086 -13.983 8.834 2 2H GLY 1 HT2 GLY 1 -7.392 -13.872 8.775 3 3H GLY 1 HT3 GLY 1 -8.333 -13.213 7.524 4 1HA GLY 1 HA1 GLY 1 -9.234 -12.059 9.887 5 2HA GLY 1 HA2 GLY 1 -7.471 -11.990 9.906 6 H LYS 2 H LYS 2 -9.964 -11.696 7.345 7 HA LYS 2 HA LYS 2 -8.743 -9.063 6.635 8 1HB LYS 2 HB2 LYS 2 -8.612 -11.415 5.084 9 2HB LYS 2 HB1 LYS 2 -9.842 -10.410 4.319 10 1HG LYS 2 HG2 LYS 2 -7.739 -8.662 5.032 11 2HG LYS 2 HG1 LYS 2 -6.976 -10.076 4.304 12 1HD LYS 2 HD2 LYS 2 -9.289 -9.449 2.756 13 2HD LYS 2 HD1 LYS 2 -8.380 -7.955 2.993 14 1HE LYS 2 HE2 LYS 2 -6.727 -8.637 1.617 15 2HE LYS 2 HE1 LYS 2 -6.625 -10.209 2.409 16 1HZ LYS 2 HZ1 LYS 2 -8.167 -9.402 0.072 17 2HZ LYS 2 HZ2 LYS 2 -8.906 -10.510 1.127 18 3HZ LYS 2 HZ3 LYS 2 -7.409 -10.879 0.414 19 H GLU 3 H GLU 3 -10.639 -8.338 7.973 20 HA GLU 3 HA GLU 3 -13.100 -8.262 6.278 21 1HB GLU 3 HB2 GLU 3 -14.428 -8.235 8.398 22 2HB GLU 3 HB1 GLU 3 -13.549 -9.745 8.161 23 1HG GLU 3 HG2 GLU 3 -11.685 -8.737 9.577 24 2HG GLU 3 HG1 GLU 3 -12.818 -7.450 9.991 25 H CYS 4 H CYS 4 -10.699 -6.412 6.879 26 HA CYS 4 HA CYS 4 -12.384 -4.012 7.411 27 1HB CYS 4 HB2 CYS 4 -10.039 -4.964 8.944 28 2HB CYS 4 HB1 CYS 4 -9.995 -3.258 8.500 29 H ASP 5 H ASP 5 -12.290 -3.000 5.446 30 HA ASP 5 HA ASP 5 -9.800 -3.103 3.862 31 1HB ASP 5 HB2 ASP 5 -12.604 -2.732 3.301 32 2HB ASP 5 HB1 ASP 5 -11.695 -1.366 2.654 33 H CYS 6 H CYS 6 -11.252 -1.087 6.189 34 HA CYS 6 HA CYS 6 -9.437 1.151 5.381 35 1HB CYS 6 HB2 CYS 6 -12.293 1.150 5.932 36 2HB CYS 6 HB1 CYS 6 -11.433 2.242 7.018 37 H SER 7 H SER 7 -9.111 2.629 7.461 38 HA SER 7 HA SER 7 -8.683 0.821 9.805 39 1HB SER 7 HB2 SER 7 -6.579 1.432 8.475 40 2HB SER 7 HB1 SER 7 -6.827 3.083 9.038 41 HG SER 7 HG SER 7 -5.497 1.406 10.317 42 H SER 8 H SER 8 -10.554 3.232 8.831 43 HA SER 8 HA SER 8 -10.709 4.380 11.555 44 1HB SER 8 HB2 SER 8 -9.651 5.797 9.262 45 2HB SER 8 HB1 SER 8 -11.113 6.583 9.850 46 HG SER 8 HG SER 8 -9.799 7.368 11.298 47 HA PRO 9 HA PRO 9 -14.992 3.972 10.572 48 1HB PRO 9 HB2 PRO 9 -15.965 5.307 12.768 49 2HB PRO 9 HB1 PRO 9 -15.320 3.658 12.834 50 1HG PRO 9 HG2 PRO 9 -14.081 6.195 13.787 51 2HG PRO 9 HG1 PRO 9 -13.804 4.535 14.337 52 1HD PRO 9 HD2 PRO 9 -12.119 6.028 12.607 53 2HD PRO 9 HD1 PRO 9 -12.009 4.286 12.936 54 H GLU 10 H GLU 10 -13.298 6.929 10.643 55 HA GLU 10 HA GLU 10 -15.677 8.570 10.011 56 1HB GLU 10 HB2 GLU 10 -12.743 9.220 10.376 57 2HB GLU 10 HB1 GLU 10 -13.927 10.414 9.841 58 1HG GLU 10 HG2 GLU 10 -14.890 8.949 12.160 59 2HG GLU 10 HG1 GLU 10 -13.343 9.728 12.494 60 H ASN 11 H ASN 11 -13.108 6.888 8.401 61 HA ASN 11 HA ASN 11 -12.881 8.348 6.001 62 1HB ASN 11 HB2 ASN 11 -11.679 6.159 6.822 63 2HB ASN 11 HB1 ASN 11 -12.976 5.348 5.941 64 1HD2 ASN 11 1HD2 ASN 11 -10.047 5.511 5.238 65 2HD2 ASN 11 2HD2 ASN 11 -9.998 6.196 3.687 66 HA PRO 12 HA PRO 12 -17.086 7.792 4.569 67 1HB PRO 12 HB2 PRO 12 -16.821 9.470 2.407 68 2HB PRO 12 HB1 PRO 12 -17.099 10.040 4.062 69 1HG PRO 12 HG2 PRO 12 -14.592 10.107 2.452 70 2HG PRO 12 HG1 PRO 12 -15.099 11.162 3.781 71 1HD PRO 12 HD2 PRO 12 -13.244 9.029 3.966 72 2HD PRO 12 HD1 PRO 12 -13.999 9.880 5.330 73 H CYS 13 H CYS 13 -14.234 6.641 3.283 74 HA CYS 13 HA CYS 13 -15.456 5.699 0.744 75 1HB CYS 13 HB2 CYS 13 -12.985 6.629 1.113 76 2HB CYS 13 HB1 CYS 13 -12.677 4.954 1.563 77 H CYS 14 H CYS 14 -15.195 4.686 3.928 78 HA CYS 14 HA CYS 14 -15.676 1.874 3.076 79 1HB CYS 14 HB2 CYS 14 -13.976 2.532 5.481 80 2HB CYS 14 HB1 CYS 14 -14.163 0.977 4.668 81 H ASP 15 H ASP 15 -17.232 0.840 4.226 82 HA ASP 15 HA ASP 15 -19.019 2.412 5.854 83 1HB ASP 15 HB2 ASP 15 -19.375 0.214 4.376 84 2HB ASP 15 HB1 ASP 15 -19.079 -0.570 5.924 85 H ALA 16 H ALA 16 -18.689 2.890 7.974 86 HA ALA 16 HA ALA 16 -16.595 1.698 9.536 87 1HB ALA 16 HB1 ALA 16 -17.200 3.850 10.248 88 2HB ALA 16 HB2 ALA 16 -17.962 2.826 11.464 89 3HB ALA 16 HB3 ALA 16 -18.925 3.501 10.150 90 H ALA 17 H ALA 17 -20.012 0.976 9.131 91 HA ALA 17 HA ALA 17 -20.379 -0.682 11.415 92 1HB ALA 17 HB1 ALA 17 -21.859 -1.789 9.256 93 2HB ALA 17 HB2 ALA 17 -21.826 -0.043 9.016 94 3HB ALA 17 HB3 ALA 17 -22.444 -0.714 10.525 95 H THR 18 H THR 18 -19.633 -1.694 8.050 96 HA THR 18 HA THR 18 -18.775 -4.326 9.090 97 HB THR 18 HB THR 18 -20.122 -4.394 7.086 98 HG1 THR 18 HG1 THR 18 -18.852 -5.792 6.174 99 1HG2 THR 18 1HG2 THR 18 -18.261 -2.219 6.248 100 2HG2 THR 18 2HG2 THR 18 -20.002 -2.363 6.006 101 3HG2 THR 18 3HG2 THR 18 -18.891 -3.287 4.994 102 H CYS 19 H CYS 19 -17.371 -1.321 8.505 103 HA CYS 19 HA CYS 19 -15.124 -0.638 8.492 104 1HB CYS 19 HB2 CYS 19 -14.919 -2.271 10.349 105 2HB CYS 19 HB1 CYS 19 -14.613 -3.551 9.177 106 H LYS 20 H LYS 20 -16.418 -1.591 6.026 107 HA LYS 20 HA LYS 20 -13.923 -2.273 4.543 108 1HB LYS 20 HB2 LYS 20 -16.532 -3.741 4.537 109 2HB LYS 20 HB1 LYS 20 -15.606 -3.655 3.038 110 1HG LYS 20 HG2 LYS 20 -14.075 -4.341 5.484 111 2HG LYS 20 HG1 LYS 20 -15.207 -5.565 4.908 112 1HD LYS 20 HD2 LYS 20 -13.682 -4.371 2.724 113 2HD LYS 20 HD1 LYS 20 -12.636 -5.128 3.925 114 1HE LYS 20 HE2 LYS 20 -13.305 -7.212 3.351 115 2HE LYS 20 HE1 LYS 20 -15.004 -6.739 3.298 116 1HZ LYS 20 HZ1 LYS 20 -14.448 -5.614 1.135 117 2HZ LYS 20 HZ2 LYS 20 -14.411 -7.312 1.112 118 3HZ LYS 20 HZ3 LYS 20 -12.962 -6.429 1.176 119 H LEU 21 H LEU 21 -14.180 -1.799 2.155 120 HA LEU 21 HA LEU 21 -15.049 0.841 1.708 121 1HB LEU 21 HB2 LEU 21 -14.505 -1.473 -0.127 122 2HB LEU 21 HB1 LEU 21 -15.129 0.047 -0.775 123 HG LEU 21 HG LEU 21 -12.963 0.477 1.130 124 1HD1 LEU 21 1HD1 LEU 21 -12.679 -1.662 -0.818 125 2HD1 LEU 21 2HD1 LEU 21 -11.584 -1.175 0.477 126 3HD1 LEU 21 3HD1 LEU 21 -11.507 -0.373 -1.093 127 1HD2 LEU 21 1HD2 LEU 21 -12.748 1.160 -1.761 128 2HD2 LEU 21 2HD2 LEU 21 -12.452 2.167 -0.343 129 3HD2 LEU 21 3HD2 LEU 21 -14.104 1.865 -0.881 130 H ARG 22 H ARG 22 -17.025 1.704 1.462 131 HA ARG 22 HA ARG 22 -19.351 -0.095 1.423 132 1HB ARG 22 HB2 ARG 22 -19.797 1.587 2.927 133 2HB ARG 22 HB1 ARG 22 -18.889 2.791 2.025 134 1HG ARG 22 HG2 ARG 22 -20.722 2.770 0.292 135 2HG ARG 22 HG1 ARG 22 -21.644 1.711 1.359 136 1HD ARG 22 HD2 ARG 22 -22.292 4.086 1.651 137 2HD ARG 22 HD1 ARG 22 -21.594 3.417 3.126 138 HE ARG 22 HE ARG 22 -19.433 4.551 1.788 139 1HH1 ARG 22 1HH2 ARG 22 -21.974 5.388 3.836 140 2HH1 ARG 22 2HH2 ARG 22 -21.738 7.100 3.709 141 1HH2 ARG 22 1HH1 ARG 22 -19.348 6.847 1.206 142 2HH2 ARG 22 2HH1 ARG 22 -20.249 7.926 2.218 143 HA PRO 23 HA PRO 23 -20.116 2.251 -2.658 144 1HB PRO 23 HB2 PRO 23 -18.106 3.870 -3.604 145 2HB PRO 23 HB1 PRO 23 -19.402 4.437 -2.536 146 1HG PRO 23 HG2 PRO 23 -16.542 3.911 -1.895 147 2HG PRO 23 HG1 PRO 23 -17.690 4.995 -1.092 148 1HD PRO 23 HD2 PRO 23 -16.885 2.429 -0.186 149 2HD PRO 23 HD1 PRO 23 -18.225 3.401 0.458 150 H GLY 24 H GLY 24 -18.539 2.543 -4.945 151 1HA GLY 24 HA2 GLY 24 -17.546 -0.209 -5.284 152 2HA GLY 24 HA1 GLY 24 -17.766 0.979 -6.569 153 H ALA 25 H ALA 25 -16.117 2.135 -3.787 154 HA ALA 25 HA ALA 25 -13.723 2.699 -5.276 155 1HB ALA 25 HB1 ALA 25 -14.517 2.872 -2.381 156 2HB ALA 25 HB2 ALA 25 -14.081 4.170 -3.490 157 3HB ALA 25 HB3 ALA 25 -12.831 3.108 -2.842 158 H GLN 26 H GLN 26 -11.710 1.641 -5.219 159 HA GLN 26 HA GLN 26 -11.836 -1.203 -4.433 160 1HB GLN 26 HB2 GLN 26 -10.433 0.352 -6.409 161 2HB GLN 26 HB1 GLN 26 -9.268 -0.543 -5.432 162 1HG GLN 26 HG2 GLN 26 -10.065 -2.595 -6.107 163 2HG GLN 26 HG1 GLN 26 -11.708 -1.996 -6.325 164 1HE2 GLN 26 1HE2 GLN 26 -11.398 -3.238 -8.499 165 2HE2 GLN 26 2HE2 GLN 26 -10.716 -2.368 -9.785 166 H CYS 27 H CYS 27 -10.914 1.667 -2.966 167 HA CYS 27 HA CYS 27 -9.678 0.301 -0.741 168 1HB CYS 27 HB2 CYS 27 -7.419 1.288 -0.974 169 2HB CYS 27 HB1 CYS 27 -7.787 0.185 -2.302 170 H GLY 28 H GLY 28 -9.517 1.692 1.060 171 1HA GLY 28 HA2 GLY 28 -10.686 4.395 0.628 172 2HA GLY 28 HA1 GLY 28 -10.697 3.519 2.157 173 H GLU 29 H GLU 29 -7.768 2.774 1.532 174 HA GLU 29 HA GLU 29 -6.323 5.292 1.595 175 1HB GLU 29 HB2 GLU 29 -5.676 5.340 3.886 176 2HB GLU 29 HB1 GLU 29 -7.422 5.106 3.903 177 1HG GLU 29 HG2 GLU 29 -7.057 3.290 5.190 178 2HG GLU 29 HG1 GLU 29 -6.394 2.515 3.750 179 H GLY 30 H GLY 30 -3.983 4.923 1.754 180 1HA GLY 30 HA2 GLY 30 -2.520 2.693 2.272 181 2HA GLY 30 HA1 GLY 30 -3.245 2.267 0.722 182 H LEU 31 H LEU 31 -0.425 2.643 1.179 183 HA LEU 31 HA LEU 31 0.478 5.235 0.347 184 1HB LEU 31 HB2 LEU 31 1.694 2.475 0.311 185 2HB LEU 31 HB1 LEU 31 2.541 3.839 -0.422 186 HG LEU 31 HG LEU 31 1.581 4.708 2.108 187 1HD1 LEU 31 1HD1 LEU 31 3.422 2.570 2.831 188 2HD1 LEU 31 2HD1 LEU 31 1.919 1.935 2.161 189 3HD1 LEU 31 3HD1 LEU 31 1.877 3.007 3.561 190 1HD2 LEU 31 1HD2 LEU 31 4.141 4.675 2.547 191 2HD2 LEU 31 2HD2 LEU 31 3.545 5.671 1.220 192 3HD2 LEU 31 3HD2 LEU 31 4.270 4.098 0.887 193 H CYS 32 H CYS 32 -0.949 2.602 -1.380 194 HA CYS 32 HA CYS 32 -0.242 3.944 -3.960 195 1HB CYS 32 HB2 CYS 32 -1.077 1.052 -3.661 196 2HB CYS 32 HB1 CYS 32 -0.309 1.824 -5.048 197 H CYS 33 H CYS 33 -2.629 4.027 -1.877 198 HA CYS 33 HA CYS 33 -4.810 3.458 -3.823 199 1HB CYS 33 HB2 CYS 33 -5.172 2.460 -1.644 200 2HB CYS 33 HB1 CYS 33 -4.874 3.999 -0.839 201 H GLU 34 H GLU 34 -5.406 5.172 -5.037 202 HA GLU 34 HA GLU 34 -5.492 7.857 -3.727 203 1HB GLU 34 HB2 GLU 34 -4.640 7.302 -6.586 204 2HB GLU 34 HB1 GLU 34 -4.695 8.879 -5.797 205 1HG GLU 34 HG2 GLU 34 -2.928 8.301 -4.299 206 2HG GLU 34 HG1 GLU 34 -3.026 6.594 -4.732 207 H GLN 35 H GLN 35 -7.347 9.039 -4.180 208 HA GLN 35 HA GLN 35 -9.530 9.442 -4.934 209 1HB GLN 35 HB2 GLN 35 -8.012 8.795 -7.208 210 2HB GLN 35 HB1 GLN 35 -9.475 7.818 -7.339 211 1HG GLN 35 HG2 GLN 35 -10.724 10.011 -6.699 212 2HG GLN 35 HG1 GLN 35 -9.225 10.814 -7.168 213 1HE2 GLN 35 1HE2 GLN 35 -10.086 11.763 -9.121 214 2HE2 GLN 35 2HE2 GLN 35 -10.541 10.823 -10.459 215 H CYS 36 H CYS 36 -8.807 6.997 -3.371 216 HA CYS 36 HA CYS 36 -9.931 5.122 -2.539 217 1HB CYS 36 HB2 CYS 36 -12.090 6.613 -3.990 218 2HB CYS 36 HB1 CYS 36 -12.418 4.981 -3.420 219 H LYS 37 H LYS 37 -8.329 4.835 -4.914 220 HA LYS 37 HA LYS 37 -9.646 2.419 -6.026 221 1HB LYS 37 HB2 LYS 37 -9.622 4.786 -7.459 222 2HB LYS 37 HB1 LYS 37 -8.198 3.945 -8.069 223 1HG LYS 37 HG2 LYS 37 -9.541 1.959 -8.561 224 2HG LYS 37 HG1 LYS 37 -10.972 2.735 -7.879 225 1HD LYS 37 HD2 LYS 37 -10.401 4.632 -9.626 226 2HD LYS 37 HD1 LYS 37 -9.538 3.329 -10.444 227 1HE LYS 37 HE2 LYS 37 -11.458 2.352 -11.125 228 2HE LYS 37 HE1 LYS 37 -12.186 2.501 -9.526 229 1HZ LYS 37 HZ1 LYS 37 -12.496 4.918 -10.073 230 2HZ LYS 37 HZ2 LYS 37 -13.459 3.837 -10.962 231 3HZ LYS 37 HZ3 LYS 37 -12.085 4.538 -11.674 232 H PHE 38 H PHE 38 -8.108 0.884 -6.876 233 HA PHE 38 HA PHE 38 -5.569 0.886 -5.509 234 1HB PHE 38 HB2 PHE 38 -6.814 -0.846 -7.639 235 2HB PHE 38 HB1 PHE 38 -5.130 -1.072 -7.172 236 HD1 PHE 38 HD2 PHE 38 -4.876 -0.859 -4.416 237 HD2 PHE 38 HD1 PHE 38 -8.287 -2.299 -6.593 238 HE1 PHE 38 HE2 PHE 38 -5.599 -2.153 -2.428 239 HE2 PHE 38 HE1 PHE 38 -9.010 -3.593 -4.604 240 HZ PHE 38 HZ PHE 38 -7.665 -3.520 -2.522 241 H SER 39 H SER 39 -3.829 2.089 -6.118 242 HA SER 39 HA SER 39 -3.616 3.621 -8.464 243 1HB SER 39 HB2 SER 39 -2.086 4.031 -6.644 244 2HB SER 39 HB1 SER 39 -1.453 2.391 -6.733 245 HG SER 39 HG SER 39 -0.171 3.019 -8.271 246 H ARG 40 H ARG 40 -1.527 3.088 -10.018 247 HA ARG 40 HA ARG 40 -2.166 0.403 -11.158 248 1HB ARG 40 HB2 ARG 40 -2.509 2.530 -12.552 249 2HB ARG 40 HB1 ARG 40 -0.750 2.655 -12.592 250 1HG ARG 40 HG2 ARG 40 -0.642 1.105 -14.217 251 2HG ARG 40 HG1 ARG 40 -1.517 -0.048 -13.208 252 1HD ARG 40 HD2 ARG 40 -3.104 2.129 -14.492 253 2HD ARG 40 HD1 ARG 40 -2.520 0.829 -15.530 254 HE ARG 40 HE ARG 40 -3.634 -0.643 -13.595 255 1HH1 ARG 40 1HH1 ARG 40 -4.838 1.460 -15.913 256 2HH1 ARG 40 2HH1 ARG 40 -6.451 1.515 -15.283 257 1HH2 ARG 40 1HH2 ARG 40 -5.666 -0.225 -12.387 258 2HH2 ARG 40 2HH2 ARG 40 -6.920 0.561 -13.287 259 H ALA 41 H ALA 41 -0.406 -0.949 -11.822 260 HA ALA 41 HA ALA 41 1.778 -1.158 -10.101 261 1HB ALA 41 HB1 ALA 41 2.732 -2.026 -12.617 262 2HB ALA 41 HB2 ALA 41 0.994 -2.330 -12.620 263 3HB ALA 41 HB3 ALA 41 2.008 -3.018 -11.351 264 H GLY 42 H GLY 42 4.142 -0.787 -10.658 265 1HA GLY 42 HA2 GLY 42 5.885 0.651 -11.325 266 2HA GLY 42 HA1 GLY 42 4.814 1.271 -12.580 267 H LYS 43 H LYS 43 3.692 1.257 -9.284 268 HA LYS 43 HA LYS 43 3.821 4.239 -9.318 269 1HB LYS 43 HB2 LYS 43 1.588 3.349 -8.988 270 2HB LYS 43 HB1 LYS 43 2.154 2.317 -7.675 271 1HG LYS 43 HG2 LYS 43 1.024 4.418 -6.884 272 2HG LYS 43 HG1 LYS 43 2.682 4.246 -6.305 273 1HD LYS 43 HD2 LYS 43 3.386 6.071 -7.444 274 2HD LYS 43 HD1 LYS 43 2.506 5.601 -8.899 275 1HE LYS 43 HE2 LYS 43 0.699 6.875 -8.368 276 2HE LYS 43 HE1 LYS 43 0.786 6.450 -6.658 277 1HZ LYS 43 HZ1 LYS 43 2.753 7.949 -6.518 278 2HZ LYS 43 HZ2 LYS 43 1.290 8.743 -6.853 279 3HZ LYS 43 HZ3 LYS 43 2.413 8.469 -8.098 280 H ILE 44 H ILE 44 5.523 5.079 -8.222 281 HA ILE 44 HA ILE 44 7.090 3.572 -6.351 282 HB ILE 44 HB ILE 44 7.543 5.805 -7.808 283 1HG1 ILE 44 2HG1 ILE 44 9.220 4.321 -6.749 284 2HG1 ILE 44 1HG1 ILE 44 9.633 6.024 -6.543 285 1HG2 ILE 44 1HG2 ILE 44 7.238 6.839 -4.977 286 2HG2 ILE 44 2HG2 ILE 44 6.072 7.152 -6.263 287 3HG2 ILE 44 3HG2 ILE 44 7.723 7.758 -6.402 288 1HD1 ILE 44 1HD1 ILE 44 9.954 5.032 -4.400 289 2HD1 ILE 44 2HD1 ILE 44 8.435 4.142 -4.505 290 3HD1 ILE 44 3HD1 ILE 44 8.418 5.893 -4.293 291 H CYS 45 H CYS 45 6.570 3.104 -4.282 292 HA CYS 45 HA CYS 45 4.575 4.847 -2.897 293 1HB CYS 45 HB2 CYS 45 4.398 2.824 -1.339 294 2HB CYS 45 HB1 CYS 45 3.743 2.626 -2.963 295 H ARG 46 H ARG 46 7.828 3.658 -2.821 296 HA ARG 46 HA ARG 46 8.395 5.424 -0.530 297 1HB ARG 46 HB2 ARG 46 8.360 2.470 -0.363 298 2HB ARG 46 HB1 ARG 46 9.809 3.239 0.288 299 1HG ARG 46 HG2 ARG 46 8.671 4.247 1.999 300 2HG ARG 46 HG1 ARG 46 7.225 4.504 1.022 301 1HD ARG 46 HD2 ARG 46 6.795 2.020 1.158 302 2HD ARG 46 HD1 ARG 46 8.116 1.917 2.321 303 HE ARG 46 HE ARG 46 5.686 3.595 2.809 304 1HH1 ARG 46 1HH1 ARG 46 7.363 0.778 3.612 305 2HH1 ARG 46 2HH1 ARG 46 7.233 0.990 5.327 306 1HH2 ARG 46 1HH2 ARG 46 5.860 4.165 5.096 307 2HH2 ARG 46 2HH2 ARG 46 6.382 2.907 6.167 308 H ILE 47 H ILE 47 10.311 6.421 -0.897 309 HA ILE 47 HA ILE 47 12.196 5.125 -2.827 310 HB ILE 47 HB ILE 47 11.123 7.143 -3.764 311 1HG1 ILE 47 2HG1 ILE 47 13.304 8.499 -4.057 312 2HG1 ILE 47 1HG1 ILE 47 14.049 7.278 -3.025 313 1HG2 ILE 47 1HG2 ILE 47 11.131 8.078 -1.202 314 2HG2 ILE 47 2HG2 ILE 47 10.910 9.104 -2.619 315 3HG2 ILE 47 3HG2 ILE 47 12.503 8.957 -1.876 316 1HD1 ILE 47 1HD1 ILE 47 13.893 5.636 -4.618 317 2HD1 ILE 47 2HD1 ILE 47 13.919 7.024 -5.707 318 3HD1 ILE 47 3HD1 ILE 47 12.384 6.271 -5.273 319 HA PRO 48 HA PRO 48 14.415 5.613 1.146 320 1HB PRO 48 HB2 PRO 48 15.623 3.146 1.003 321 2HB PRO 48 HB1 PRO 48 14.027 3.418 1.724 322 1HG PRO 48 HG2 PRO 48 14.712 2.181 -0.902 323 2HG PRO 48 HG1 PRO 48 13.289 1.927 0.120 324 1HD PRO 48 HD2 PRO 48 13.389 3.528 -2.211 325 2HD PRO 48 HD1 PRO 48 12.089 3.527 -1.000 326 H ARG 49 H ARG 49 15.954 7.125 0.468 327 HA ARG 49 HA ARG 49 17.794 6.650 -1.709 328 1HB ARG 49 HB2 ARG 49 18.987 8.670 -0.701 329 2HB ARG 49 HB1 ARG 49 17.305 8.930 -1.166 330 1HG ARG 49 HG2 ARG 49 17.555 7.914 1.565 331 2HG ARG 49 HG1 ARG 49 18.395 9.449 1.340 332 1HD ARG 49 HD2 ARG 49 15.902 9.631 -0.031 333 2HD ARG 49 HD1 ARG 49 15.578 8.990 1.580 334 HE ARG 49 HE ARG 49 16.386 11.040 2.522 335 1HH1 ARG 49 1HH1 ARG 49 14.951 11.974 -0.066 336 2HH1 ARG 49 2HH1 ARG 49 16.085 13.153 -0.635 337 1HH2 ARG 49 1HH2 ARG 49 18.649 12.078 1.436 338 2HH2 ARG 49 2HH2 ARG 49 18.177 13.212 0.214 339 H GLY 50 H GLY 50 19.899 5.877 -1.633 340 1HA GLY 50 HA2 GLY 50 21.921 5.598 -0.078 341 2HA GLY 50 HA1 GLY 50 20.788 4.797 1.011 342 H GLU 51 H GLU 51 21.767 4.605 -2.435 343 HA GLU 51 HA GLU 51 22.129 2.726 -3.793 344 1HB GLU 51 HB2 GLU 51 23.092 1.948 -1.082 345 2HB GLU 51 HB1 GLU 51 22.870 0.649 -2.254 346 1HG GLU 51 HG2 GLU 51 24.175 2.937 -3.476 347 2HG GLU 51 HG1 GLU 51 25.078 2.369 -2.071 348 H MET 52 H MET 52 19.447 3.196 -2.446 349 HA MET 52 HA MET 52 18.448 0.386 -2.408 350 1HB MET 52 HB2 MET 52 17.846 2.723 -0.852 351 2HB MET 52 HB1 MET 52 16.390 2.215 -1.709 352 1HG MET 52 HG2 MET 52 16.161 0.379 -0.416 353 2HG MET 52 HG1 MET 52 17.858 -0.056 -0.614 354 1HE MET 52 HE1 MET 52 16.633 0.218 3.250 355 2HE MET 52 HE2 MET 52 17.217 -0.937 2.055 356 3HE MET 52 HE3 MET 52 15.674 -0.125 1.804 357 HA PRO 53 HA PRO 53 16.450 1.058 -6.270 358 1HB PRO 53 HB2 PRO 53 14.513 -0.880 -6.058 359 2HB PRO 53 HB1 PRO 53 16.217 -1.232 -6.393 360 1HG PRO 53 HG2 PRO 53 14.686 -1.608 -3.859 361 2HG PRO 53 HG1 PRO 53 16.108 -2.483 -4.452 362 1HD PRO 53 HD2 PRO 53 16.121 -0.452 -2.485 363 2HD PRO 53 HD1 PRO 53 17.545 -1.085 -3.343 364 H ASP 54 H ASP 54 13.716 0.706 -6.809 365 HA ASP 54 HA ASP 54 12.440 2.749 -5.030 366 1HB ASP 54 HB2 ASP 54 12.149 2.377 -8.028 367 2HB ASP 54 HB1 ASP 54 11.187 3.496 -7.061 368 H ASP 55 H ASP 55 10.616 2.020 -4.050 369 HA ASP 55 HA ASP 55 9.549 -0.612 -4.721 370 1HB ASP 55 HB2 ASP 55 8.495 1.485 -2.798 371 2HB ASP 55 HB1 ASP 55 7.998 -0.207 -2.861 372 H ARG 56 H ARG 56 8.301 -0.791 -6.525 373 HA ARG 56 HA ARG 56 6.428 1.438 -7.177 374 1HB ARG 56 HB2 ARG 56 7.362 -0.872 -8.903 375 2HB ARG 56 HB1 ARG 56 6.346 0.471 -9.426 376 1HG ARG 56 HG2 ARG 56 8.780 1.393 -8.109 377 2HG ARG 56 HG1 ARG 56 9.128 0.399 -9.523 378 1HD ARG 56 HD2 ARG 56 7.747 1.806 -10.930 379 2HD ARG 56 HD1 ARG 56 7.187 2.724 -9.533 380 HE ARG 56 HE ARG 56 9.404 3.723 -9.362 381 1HH1 ARG 56 1HH1 ARG 56 10.581 1.191 -10.828 382 2HH1 ARG 56 2HH1 ARG 56 11.191 1.957 -12.258 383 1HH2 ARG 56 1HH2 ARG 56 9.460 4.914 -11.733 384 2HH2 ARG 56 2HH2 ARG 56 10.555 4.064 -12.771 385 H CYS 57 H CYS 57 4.376 1.104 -6.481 386 HA CYS 57 HA CYS 57 3.346 -1.299 -5.439 387 1HB CYS 57 HB2 CYS 57 1.643 0.706 -6.932 388 2HB CYS 57 HB1 CYS 57 1.185 -0.299 -5.559 389 H THR 58 H THR 58 1.826 -2.833 -6.394 390 HA THR 58 HA THR 58 2.582 -3.524 -9.144 391 HB THR 58 HB THR 58 2.449 -5.403 -7.700 392 HG1 THR 58 HG1 THR 58 1.207 -5.455 -9.766 393 1HG2 THR 58 1HG2 THR 58 0.009 -5.715 -6.611 394 2HG2 THR 58 2HG2 THR 58 0.077 -3.954 -6.655 395 3HG2 THR 58 3HG2 THR 58 1.312 -4.861 -5.786 396 H GLY 59 H GLY 59 0.291 -1.515 -7.814 397 1HA GLY 59 HA2 GLY 59 -1.368 -0.331 -9.076 398 2HA GLY 59 HA1 GLY 59 -1.288 -1.588 -10.312 399 H GLN 60 H GLN 60 -1.444 -3.661 -8.107 400 HA GLN 60 HA GLN 60 -4.402 -3.549 -7.777 401 1HB GLN 60 HB2 GLN 60 -2.712 -5.994 -7.294 402 2HB GLN 60 HB1 GLN 60 -4.401 -5.897 -7.798 403 1HG GLN 60 HG2 GLN 60 -3.201 -4.595 -9.862 404 2HG GLN 60 HG1 GLN 60 -1.932 -5.740 -9.427 405 1HE2 GLN 60 1HE2 GLN 60 -2.725 -8.106 -9.192 406 2HE2 GLN 60 2HE2 GLN 60 -3.932 -8.626 -10.266 407 H SER 61 H SER 61 -1.488 -3.171 -6.084 408 HA SER 61 HA SER 61 -2.707 -3.996 -3.496 409 1HB SER 61 HB2 SER 61 0.095 -3.434 -4.416 410 2HB SER 61 HB1 SER 61 -0.298 -3.314 -2.704 411 HG SER 61 HG SER 61 0.345 -5.463 -3.851 412 H ALA 62 H ALA 62 -3.625 -2.457 -2.233 413 HA ALA 62 HA ALA 62 -3.519 0.347 -2.976 414 1HB ALA 62 HB1 ALA 62 -5.542 -0.145 -1.958 415 2HB ALA 62 HB2 ALA 62 -4.650 0.482 -0.571 416 3HB ALA 62 HB3 ALA 62 -4.810 -1.259 -0.804 417 H ASP 63 H ASP 63 -2.130 -1.595 -0.331 418 HA ASP 63 HA ASP 63 -0.665 0.775 0.663 419 1HB ASP 63 HB2 ASP 63 -0.614 -2.098 1.636 420 2HB ASP 63 HB1 ASP 63 0.066 -0.702 2.472 421 H CYS 64 H CYS 64 1.760 0.125 1.298 422 HA CYS 64 HA CYS 64 2.971 -1.119 -1.139 423 1HB CYS 64 HB2 CYS 64 3.410 1.279 -1.100 424 2HB CYS 64 HB1 CYS 64 4.007 1.178 0.552 425 HA PRO 65 HA PRO 65 4.557 -3.905 1.888 426 1HB PRO 65 HB2 PRO 65 5.705 -5.555 0.033 427 2HB PRO 65 HB1 PRO 65 3.989 -5.598 0.437 428 1HG PRO 65 HG2 PRO 65 5.338 -4.556 -1.997 429 2HG PRO 65 HG1 PRO 65 3.670 -5.119 -1.793 430 1HD PRO 65 HD2 PRO 65 4.532 -2.418 -1.902 431 2HD PRO 65 HD1 PRO 65 2.918 -2.994 -1.431 432 H ARG 66 H ARG 66 6.978 -5.280 1.366 433 HA ARG 66 HA ARG 66 8.936 -3.018 1.349 434 1HB ARG 66 HB2 ARG 66 8.494 -4.498 3.487 435 2HB ARG 66 HB1 ARG 66 9.510 -5.667 2.643 436 1HG ARG 66 HG2 ARG 66 11.376 -4.497 3.113 437 2HG ARG 66 HG1 ARG 66 10.657 -3.002 2.514 438 1HD ARG 66 HD2 ARG 66 10.041 -2.313 4.596 439 2HD ARG 66 HD1 ARG 66 9.589 -3.942 5.105 440 HE ARG 66 HE ARG 66 12.298 -4.147 5.039 441 1HH1 ARG 66 1HH2 ARG 66 10.960 -3.901 7.671 442 2HH1 ARG 66 2HH2 ARG 66 11.676 -2.469 8.331 443 1HH2 ARG 66 1HH1 ARG 66 12.900 -1.358 5.283 444 2HH2 ARG 66 2HH1 ARG 66 12.776 -1.031 6.980 445 H TYR 67 H TYR 67 10.251 -3.050 -0.406 446 HA TYR 67 HA TYR 67 10.498 -5.551 -1.972 447 1HB TYR 67 HB2 TYR 67 10.176 -2.987 -2.788 448 2HB TYR 67 HB1 TYR 67 11.937 -3.095 -2.823 449 HD1 TYR 67 HD1 TYR 67 13.074 -4.746 -4.262 450 HD2 TYR 67 HD2 TYR 67 8.803 -4.292 -4.305 451 HE1 TYR 67 HE1 TYR 67 12.960 -6.016 -6.388 452 HE2 TYR 67 HE2 TYR 67 8.689 -5.564 -6.431 453 HH TYR 67 HH TYR 67 11.162 -6.045 -8.416 454 H HIS 68 H HIS 68 11.919 -4.739 0.701 455 HA HIS 68 HA HIS 68 14.723 -5.150 -0.234 456 1HB HIS 68 HB2 HIS 68 14.533 -3.235 1.209 457 2HB HIS 68 HB1 HIS 68 13.578 -4.142 2.382 458 HD1 HIS 68 HD1 HIS 68 16.986 -4.662 0.717 459 HD2 HIS 68 HD2 HIS 68 15.192 -4.916 4.471 460 HE1 HIS 68 HE1 HIS 68 18.797 -5.397 2.328 Start of MODEL 20 1 1H GLY 1 HT1 GLY 1 -4.763 -7.168 6.363 2 2H GLY 1 HT2 GLY 1 -4.322 -7.489 4.755 3 3H GLY 1 HT3 GLY 1 -3.433 -8.168 6.034 4 1HA GLY 1 HA1 GLY 1 -4.785 -9.894 5.202 5 2HA GLY 1 HA2 GLY 1 -5.507 -9.363 6.722 6 H LYS 2 H LYS 2 -7.487 -10.360 5.646 7 HA LYS 2 HA LYS 2 -8.751 -8.393 3.779 8 1HB LYS 2 HB2 LYS 2 -8.357 -10.970 3.193 9 2HB LYS 2 HB1 LYS 2 -9.861 -11.147 4.098 10 1HG LYS 2 HG2 LYS 2 -10.719 -10.750 1.984 11 2HG LYS 2 HG1 LYS 2 -10.609 -9.094 2.582 12 1HD LYS 2 HD2 LYS 2 -9.594 -9.049 0.427 13 2HD LYS 2 HD1 LYS 2 -8.253 -9.048 1.573 14 1HE LYS 2 HE2 LYS 2 -7.731 -10.676 -0.122 15 2HE LYS 2 HE1 LYS 2 -8.175 -11.567 1.334 16 1HZ LYS 2 HZ1 LYS 2 -10.435 -11.768 0.443 17 2HZ LYS 2 HZ2 LYS 2 -9.282 -12.503 -0.566 18 3HZ LYS 2 HZ3 LYS 2 -9.939 -10.993 -0.982 19 H GLU 3 H GLU 3 -9.603 -7.069 5.453 20 HA GLU 3 HA GLU 3 -12.153 -7.865 6.485 21 1HB GLU 3 HB2 GLU 3 -10.855 -9.187 8.072 22 2HB GLU 3 HB1 GLU 3 -9.866 -7.782 8.470 23 1HG GLU 3 HG2 GLU 3 -11.687 -6.661 9.513 24 2HG GLU 3 HG1 GLU 3 -12.866 -7.775 8.820 25 H CYS 4 H CYS 4 -9.358 -5.763 6.944 26 HA CYS 4 HA CYS 4 -11.266 -3.478 7.197 27 1HB CYS 4 HB2 CYS 4 -8.842 -4.182 8.754 28 2HB CYS 4 HB1 CYS 4 -8.980 -2.487 8.292 29 H ASP 5 H ASP 5 -11.248 -2.770 5.069 30 HA ASP 5 HA ASP 5 -8.767 -2.652 3.530 31 1HB ASP 5 HB2 ASP 5 -11.340 -2.894 2.779 32 2HB ASP 5 HB1 ASP 5 -11.173 -1.143 2.638 33 H CYS 6 H CYS 6 -9.963 -0.761 5.978 34 HA CYS 6 HA CYS 6 -8.288 1.514 5.082 35 1HB CYS 6 HB2 CYS 6 -9.963 3.168 5.437 36 2HB CYS 6 HB1 CYS 6 -10.738 1.922 4.460 37 H SER 7 H SER 7 -7.912 3.054 6.950 38 HA SER 7 HA SER 7 -7.926 1.532 9.525 39 1HB SER 7 HB2 SER 7 -6.052 3.620 9.713 40 2HB SER 7 HB1 SER 7 -5.703 1.903 9.528 41 HG SER 7 HG SER 7 -4.813 2.667 7.746 42 H SER 8 H SER 8 -9.502 3.953 7.976 43 HA SER 8 HA SER 8 -9.744 5.650 10.415 44 1HB SER 8 HB2 SER 8 -9.219 7.055 8.594 45 2HB SER 8 HB1 SER 8 -10.244 6.148 7.485 46 HG SER 8 HG SER 8 -11.085 8.215 8.310 47 HA PRO 9 HA PRO 9 -13.687 3.538 10.748 48 1HB PRO 9 HB2 PRO 9 -14.275 4.549 13.237 49 2HB PRO 9 HB1 PRO 9 -13.198 3.166 12.971 50 1HG PRO 9 HG2 PRO 9 -12.502 5.974 13.698 51 2HG PRO 9 HG1 PRO 9 -11.616 4.476 14.031 52 1HD PRO 9 HD2 PRO 9 -10.999 6.345 12.001 53 2HD PRO 9 HD1 PRO 9 -10.351 4.695 12.131 54 H GLU 10 H GLU 10 -12.993 6.772 10.283 55 HA GLU 10 HA GLU 10 -15.886 7.526 10.389 56 1HB GLU 10 HB2 GLU 10 -15.117 9.868 10.550 57 2HB GLU 10 HB1 GLU 10 -14.469 8.899 11.873 58 1HG GLU 10 HG2 GLU 10 -12.456 9.734 11.251 59 2HG GLU 10 HG1 GLU 10 -12.550 8.573 9.925 60 H ASN 11 H ASN 11 -13.126 7.054 8.381 61 HA ASN 11 HA ASN 11 -13.661 8.784 6.216 62 1HB ASN 11 HB2 ASN 11 -11.920 6.650 6.714 63 2HB ASN 11 HB1 ASN 11 -12.859 6.134 5.313 64 1HD2 ASN 11 1HD2 ASN 11 -10.280 6.595 4.664 65 2HD2 ASN 11 2HD2 ASN 11 -10.068 8.099 3.905 66 HA PRO 12 HA PRO 12 -17.534 7.134 4.825 67 1HB PRO 12 HB2 PRO 12 -17.705 8.650 2.541 68 2HB PRO 12 HB1 PRO 12 -18.043 9.281 4.161 69 1HG PRO 12 HG2 PRO 12 -15.663 9.744 2.427 70 2HG PRO 12 HG1 PRO 12 -16.338 10.772 3.701 71 1HD PRO 12 HD2 PRO 12 -14.066 9.096 3.945 72 2HD PRO 12 HD1 PRO 12 -14.936 9.884 5.279 73 H CYS 13 H CYS 13 -14.574 7.056 2.970 74 HA CYS 13 HA CYS 13 -15.541 5.627 0.682 75 1HB CYS 13 HB2 CYS 13 -13.219 6.776 1.126 76 2HB CYS 13 HB1 CYS 13 -12.771 5.193 1.757 77 H CYS 14 H CYS 14 -14.441 4.549 3.876 78 HA CYS 14 HA CYS 14 -15.181 1.767 3.053 79 1HB CYS 14 HB2 CYS 14 -13.585 0.916 4.622 80 2HB CYS 14 HB1 CYS 14 -12.759 2.178 3.710 81 H ASP 15 H ASP 15 -16.657 0.682 4.272 82 HA ASP 15 HA ASP 15 -18.425 2.189 5.964 83 1HB ASP 15 HB2 ASP 15 -18.763 -0.037 4.554 84 2HB ASP 15 HB1 ASP 15 -18.321 -0.797 6.080 85 H ALA 16 H ALA 16 -18.579 2.234 8.213 86 HA ALA 16 HA ALA 16 -16.161 1.461 9.689 87 1HB ALA 16 HB1 ALA 16 -18.677 2.515 10.964 88 2HB ALA 16 HB2 ALA 16 -17.639 3.591 10.029 89 3HB ALA 16 HB3 ALA 16 -17.001 2.766 11.452 90 H ALA 17 H ALA 17 -19.431 0.298 9.231 91 HA ALA 17 HA ALA 17 -19.603 -1.415 11.514 92 1HB ALA 17 HB1 ALA 17 -21.609 -1.032 10.272 93 2HB ALA 17 HB2 ALA 17 -21.212 -2.731 10.016 94 3HB ALA 17 HB3 ALA 17 -20.854 -1.544 8.762 95 H THR 18 H THR 18 -18.809 -2.307 8.131 96 HA THR 18 HA THR 18 -17.510 -4.766 9.142 97 HB THR 18 HB THR 18 -18.893 -5.118 7.212 98 HG1 THR 18 HG1 THR 18 -17.384 -5.951 5.825 99 1HG2 THR 18 1HG2 THR 18 -17.502 -2.652 6.214 100 2HG2 THR 18 2HG2 THR 18 -19.225 -3.027 6.234 101 3HG2 THR 18 3HG2 THR 18 -18.167 -3.807 5.058 102 H CYS 19 H CYS 19 -16.628 -1.588 8.545 103 HA CYS 19 HA CYS 19 -14.529 -0.550 8.351 104 1HB CYS 19 HB2 CYS 19 -13.966 -2.006 10.258 105 2HB CYS 19 HB1 CYS 19 -13.589 -3.324 9.152 106 H LYS 20 H LYS 20 -15.705 -1.525 5.951 107 HA LYS 20 HA LYS 20 -13.226 -1.991 4.390 108 1HB LYS 20 HB2 LYS 20 -15.593 -3.833 4.525 109 2HB LYS 20 HB1 LYS 20 -14.647 -3.726 3.039 110 1HG LYS 20 HG2 LYS 20 -12.661 -3.950 4.882 111 2HG LYS 20 HG1 LYS 20 -13.930 -4.888 5.667 112 1HD LYS 20 HD2 LYS 20 -12.829 -6.481 4.325 113 2HD LYS 20 HD1 LYS 20 -14.228 -6.023 3.353 114 1HE LYS 20 HE2 LYS 20 -12.490 -5.866 1.796 115 2HE LYS 20 HE1 LYS 20 -12.614 -4.204 2.372 116 1HZ LYS 20 HZ1 LYS 20 -10.629 -6.261 3.120 117 2HZ LYS 20 HZ2 LYS 20 -10.896 -4.890 4.087 118 3HZ LYS 20 HZ3 LYS 20 -10.355 -4.712 2.485 119 H LEU 21 H LEU 21 -13.599 -1.600 2.041 120 HA LEU 21 HA LEU 21 -14.968 0.810 1.544 121 1HB LEU 21 HB2 LEU 21 -14.029 -1.391 -0.279 122 2HB LEU 21 HB1 LEU 21 -14.837 0.047 -0.909 123 HG LEU 21 HG LEU 21 -12.664 0.511 1.057 124 1HD1 LEU 21 1HD1 LEU 21 -11.110 -0.652 -0.064 125 2HD1 LEU 21 2HD1 LEU 21 -11.403 0.392 -1.454 126 3HD1 LEU 21 3HD1 LEU 21 -12.289 -1.123 -1.289 127 1HD2 LEU 21 1HD2 LEU 21 -14.034 1.858 -1.169 128 2HD2 LEU 21 2HD2 LEU 21 -12.287 2.095 -1.174 129 3HD2 LEU 21 3HD2 LEU 21 -13.236 2.552 0.241 130 H ARG 22 H ARG 22 -17.048 1.288 1.209 131 HA ARG 22 HA ARG 22 -18.987 -0.943 1.135 132 1HB ARG 22 HB2 ARG 22 -18.961 1.503 2.464 133 2HB ARG 22 HB1 ARG 22 -20.154 1.720 1.183 134 1HG ARG 22 HG2 ARG 22 -21.126 -0.534 1.892 135 2HG ARG 22 HG1 ARG 22 -20.108 -0.409 3.328 136 1HD ARG 22 HD2 ARG 22 -21.275 1.423 4.163 137 2HD ARG 22 HD1 ARG 22 -21.851 1.912 2.570 138 HE ARG 22 HE ARG 22 -22.988 -0.318 4.189 139 1HH1 ARG 22 1HH1 ARG 22 -22.818 0.810 1.024 140 2HH1 ARG 22 2HH1 ARG 22 -24.532 0.900 0.781 141 1HH2 ARG 22 1HH2 ARG 22 -25.305 0.236 4.095 142 2HH2 ARG 22 2HH2 ARG 22 -25.938 0.575 2.519 143 HA PRO 23 HA PRO 23 -20.400 1.520 -2.680 144 1HB PRO 23 HB2 PRO 23 -18.914 3.708 -3.448 145 2HB PRO 23 HB1 PRO 23 -20.285 3.787 -2.328 146 1HG PRO 23 HG2 PRO 23 -17.374 3.987 -1.746 147 2HG PRO 23 HG1 PRO 23 -18.749 4.621 -0.827 148 1HD PRO 23 HD2 PRO 23 -17.253 2.289 -0.222 149 2HD PRO 23 HD1 PRO 23 -18.782 2.781 0.536 150 H GLY 24 H GLY 24 -18.907 2.561 -4.893 151 1HA GLY 24 HA2 GLY 24 -17.445 0.132 -5.655 152 2HA GLY 24 HA1 GLY 24 -17.831 1.484 -6.716 153 H ALA 25 H ALA 25 -16.314 2.118 -3.634 154 HA ALA 25 HA ALA 25 -14.036 3.339 -4.979 155 1HB ALA 25 HB1 ALA 25 -13.315 3.338 -2.370 156 2HB ALA 25 HB2 ALA 25 -15.058 3.130 -2.197 157 3HB ALA 25 HB3 ALA 25 -14.419 4.530 -3.057 158 H GLN 26 H GLN 26 -12.153 2.312 -5.477 159 HA GLN 26 HA GLN 26 -11.812 -0.500 -4.808 160 1HB GLN 26 HB2 GLN 26 -9.690 1.297 -5.975 161 2HB GLN 26 HB1 GLN 26 -9.927 -0.426 -6.239 162 1HG GLN 26 HG2 GLN 26 -12.343 0.664 -7.047 163 2HG GLN 26 HG1 GLN 26 -11.157 1.844 -7.611 164 1HE2 GLN 26 1HE2 GLN 26 -12.775 -0.776 -8.726 165 2HE2 GLN 26 2HE2 GLN 26 -11.611 -1.433 -9.772 166 H CYS 27 H CYS 27 -11.050 2.412 -3.215 167 HA CYS 27 HA CYS 27 -9.595 0.961 -1.142 168 1HB CYS 27 HB2 CYS 27 -7.551 2.407 -1.332 169 2HB CYS 27 HB1 CYS 27 -7.754 1.291 -2.683 170 H GLY 28 H GLY 28 -9.321 2.259 0.773 171 1HA GLY 28 HA2 GLY 28 -11.049 4.686 0.769 172 2HA GLY 28 HA1 GLY 28 -10.698 3.701 2.189 173 H GLU 29 H GLU 29 -7.865 3.456 1.679 174 HA GLU 29 HA GLU 29 -6.700 6.093 1.411 175 1HB GLU 29 HB2 GLU 29 -6.092 6.492 3.695 176 2HB GLU 29 HB1 GLU 29 -7.825 6.189 3.679 177 1HG GLU 29 HG2 GLU 29 -7.318 4.706 5.335 178 2HG GLU 29 HG1 GLU 29 -6.886 3.655 3.987 179 H GLY 30 H GLY 30 -4.334 6.008 1.713 180 1HA GLY 30 HA2 GLY 30 -2.680 4.013 2.546 181 2HA GLY 30 HA1 GLY 30 -3.275 3.352 1.023 182 H LEU 31 H LEU 31 -0.709 3.669 0.847 183 HA LEU 31 HA LEU 31 -0.019 6.408 0.032 184 1HB LEU 31 HB2 LEU 31 2.237 5.327 -0.546 185 2HB LEU 31 HB1 LEU 31 1.793 5.398 1.151 186 HG LEU 31 HG LEU 31 2.772 3.198 0.176 187 1HD1 LEU 31 1HD1 LEU 31 0.993 3.808 2.277 188 2HD1 LEU 31 2HD1 LEU 31 2.069 2.418 2.151 189 3HD1 LEU 31 3HD1 LEU 31 0.414 2.307 1.562 190 1HD2 LEU 31 1HD2 LEU 31 1.214 1.701 -0.866 191 2HD2 LEU 31 2HD2 LEU 31 1.138 3.209 -1.760 192 3HD2 LEU 31 3HD2 LEU 31 -0.130 2.806 -0.607 193 H CYS 32 H CYS 32 -1.492 3.803 -1.427 194 HA CYS 32 HA CYS 32 -0.728 4.856 -4.112 195 1HB CYS 32 HB2 CYS 32 -0.776 2.004 -3.160 196 2HB CYS 32 HB1 CYS 32 -1.096 2.375 -4.855 197 H CYS 33 H CYS 33 -3.014 5.531 -2.507 198 HA CYS 33 HA CYS 33 -5.174 4.330 -4.191 199 1HB CYS 33 HB2 CYS 33 -5.565 3.558 -1.959 200 2HB CYS 33 HB1 CYS 33 -5.220 5.144 -1.274 201 H GLU 34 H GLU 34 -5.871 5.853 -5.604 202 HA GLU 34 HA GLU 34 -5.930 8.696 -4.666 203 1HB GLU 34 HB2 GLU 34 -5.357 7.544 -7.407 204 2HB GLU 34 HB1 GLU 34 -5.725 9.248 -7.143 205 1HG GLU 34 HG2 GLU 34 -3.754 8.466 -5.226 206 2HG GLU 34 HG1 GLU 34 -3.218 7.920 -6.816 207 H GLN 35 H GLN 35 -7.961 9.522 -4.547 208 HA GLN 35 HA GLN 35 -10.261 9.799 -4.940 209 1HB GLN 35 HB2 GLN 35 -9.093 9.026 -7.509 210 2HB GLN 35 HB1 GLN 35 -10.780 8.533 -7.359 211 1HG GLN 35 HG2 GLN 35 -10.933 10.724 -8.206 212 2HG GLN 35 HG1 GLN 35 -11.177 10.941 -6.472 213 1HE2 GLN 35 1HE2 GLN 35 -8.989 11.585 -9.144 214 2HE2 GLN 35 2HE2 GLN 35 -7.880 12.517 -8.260 215 H CYS 36 H CYS 36 -9.205 7.382 -3.598 216 HA CYS 36 HA CYS 36 -10.048 5.354 -2.778 217 1HB CYS 36 HB2 CYS 36 -12.491 6.721 -3.870 218 2HB CYS 36 HB1 CYS 36 -12.607 5.051 -3.318 219 H LYS 37 H LYS 37 -8.801 5.459 -5.406 220 HA LYS 37 HA LYS 37 -10.140 3.093 -6.647 221 1HB LYS 37 HB2 LYS 37 -9.149 5.626 -7.878 222 2HB LYS 37 HB1 LYS 37 -8.876 4.133 -8.775 223 1HG LYS 37 HG2 LYS 37 -11.137 3.739 -9.083 224 2HG LYS 37 HG1 LYS 37 -11.593 4.601 -7.613 225 1HD LYS 37 HD2 LYS 37 -11.864 6.538 -8.735 226 2HD LYS 37 HD1 LYS 37 -10.290 6.374 -9.517 227 1HE LYS 37 HE2 LYS 37 -11.934 4.416 -10.704 228 2HE LYS 37 HE1 LYS 37 -12.919 5.876 -10.615 229 1HZ LYS 37 HZ1 LYS 37 -10.334 6.603 -11.396 230 2HZ LYS 37 HZ2 LYS 37 -11.775 6.713 -12.291 231 3HZ LYS 37 HZ3 LYS 37 -10.822 5.308 -12.376 232 H PHE 38 H PHE 38 -8.619 1.566 -7.629 233 HA PHE 38 HA PHE 38 -6.120 1.394 -6.141 234 1HB PHE 38 HB2 PHE 38 -7.453 -0.281 -8.255 235 2HB PHE 38 HB1 PHE 38 -5.773 -0.578 -7.830 236 HD1 PHE 38 HD2 PHE 38 -5.792 0.055 -4.922 237 HD2 PHE 38 HD1 PHE 38 -8.608 -2.124 -7.325 238 HE1 PHE 38 HE2 PHE 38 -6.520 -1.212 -2.920 239 HE2 PHE 38 HE1 PHE 38 -9.333 -3.394 -5.322 240 HZ PHE 38 HZ PHE 38 -8.290 -2.937 -3.120 241 H SER 39 H SER 39 -4.256 2.386 -6.746 242 HA SER 39 HA SER 39 -3.997 3.866 -9.177 243 1HB SER 39 HB2 SER 39 -1.684 2.761 -7.570 244 2HB SER 39 HB1 SER 39 -1.725 4.236 -8.532 245 HG SER 39 HG SER 39 -3.504 4.832 -7.004 246 H ARG 40 H ARG 40 -1.209 2.695 -9.733 247 HA ARG 40 HA ARG 40 -2.114 0.216 -11.130 248 1HB ARG 40 HB2 ARG 40 -0.239 2.259 -12.354 249 2HB ARG 40 HB1 ARG 40 -0.994 0.876 -13.150 250 1HG ARG 40 HG2 ARG 40 -3.236 1.923 -12.674 251 2HG ARG 40 HG1 ARG 40 -2.382 3.358 -12.103 252 1HD ARG 40 HD2 ARG 40 -1.597 3.904 -14.222 253 2HD ARG 40 HD1 ARG 40 -1.695 2.241 -14.799 254 HE ARG 40 HE ARG 40 -4.338 3.085 -14.250 255 1HH1 ARG 40 1HH2 ARG 40 -3.163 2.061 -16.899 256 2HH1 ARG 40 2HH2 ARG 40 -3.505 3.400 -17.942 257 1HH2 ARG 40 1HH1 ARG 40 -4.157 5.601 -15.344 258 2HH2 ARG 40 2HH1 ARG 40 -4.070 5.403 -17.063 259 H ALA 41 H ALA 41 -0.492 -1.404 -11.310 260 HA ALA 41 HA ALA 41 1.416 -1.603 -9.259 261 1HB ALA 41 HB1 ALA 41 0.544 -3.319 -11.141 262 2HB ALA 41 HB2 ALA 41 2.033 -3.591 -10.235 263 3HB ALA 41 HB3 ALA 41 2.099 -2.894 -11.855 264 H GLY 42 H GLY 42 3.860 -1.683 -9.586 265 1HA GLY 42 HA2 GLY 42 5.859 -0.621 -10.241 266 2HA GLY 42 HA1 GLY 42 5.027 -0.097 -11.706 267 H LYS 43 H LYS 43 3.521 0.593 -8.668 268 HA LYS 43 HA LYS 43 3.954 3.486 -9.159 269 1HB LYS 43 HB2 LYS 43 1.671 2.903 -8.745 270 2HB LYS 43 HB1 LYS 43 2.104 1.943 -7.331 271 1HG LYS 43 HG2 LYS 43 1.157 4.225 -6.792 272 2HG LYS 43 HG1 LYS 43 2.746 3.909 -6.096 273 1HD LYS 43 HD2 LYS 43 2.720 6.143 -7.090 274 2HD LYS 43 HD1 LYS 43 3.794 5.095 -8.018 275 1HE LYS 43 HE2 LYS 43 2.239 4.865 -9.782 276 2HE LYS 43 HE1 LYS 43 0.896 5.425 -8.787 277 1HZ LYS 43 HZ1 LYS 43 2.890 6.947 -10.233 278 2HZ LYS 43 HZ2 LYS 43 2.548 7.521 -8.671 279 3HZ LYS 43 HZ3 LYS 43 1.301 7.363 -9.813 280 H ILE 44 H ILE 44 5.775 4.307 -8.245 281 HA ILE 44 HA ILE 44 7.257 3.166 -6.126 282 HB ILE 44 HB ILE 44 8.198 4.891 -7.579 283 1HG1 ILE 44 2HG1 ILE 44 9.285 6.259 -5.874 284 2HG1 ILE 44 1HG1 ILE 44 7.996 5.899 -4.724 285 1HG2 ILE 44 1HG2 ILE 44 6.751 7.087 -6.201 286 2HG2 ILE 44 2HG2 ILE 44 5.804 6.142 -7.350 287 3HG2 ILE 44 3HG2 ILE 44 7.271 6.963 -7.881 288 1HD1 ILE 44 1HD1 ILE 44 10.249 4.512 -4.683 289 2HD1 ILE 44 2HD1 ILE 44 9.471 3.619 -5.989 290 3HD1 ILE 44 3HD1 ILE 44 8.702 3.711 -4.405 291 H CYS 45 H CYS 45 6.592 2.850 -4.065 292 HA CYS 45 HA CYS 45 4.719 4.851 -2.863 293 1HB CYS 45 HB2 CYS 45 4.208 2.927 -1.256 294 2HB CYS 45 HB1 CYS 45 3.624 2.743 -2.909 295 H ARG 46 H ARG 46 7.851 3.454 -2.679 296 HA ARG 46 HA ARG 46 8.433 5.101 -0.299 297 1HB ARG 46 HB2 ARG 46 7.865 2.417 0.059 298 2HB ARG 46 HB1 ARG 46 9.624 2.425 -0.074 299 1HG ARG 46 HG2 ARG 46 9.785 3.219 2.022 300 2HG ARG 46 HG1 ARG 46 8.852 4.642 1.557 301 1HD ARG 46 HD2 ARG 46 6.788 3.051 1.788 302 2HD ARG 46 HD1 ARG 46 7.881 2.060 2.755 303 HE ARG 46 HE ARG 46 6.913 4.768 3.471 304 1HH1 ARG 46 1HH2 ARG 46 9.733 3.044 3.914 305 2HH1 ARG 46 2HH2 ARG 46 9.648 2.987 5.642 306 1HH2 ARG 46 1HH1 ARG 46 6.425 4.260 5.789 307 2HH2 ARG 46 2HH1 ARG 46 7.774 3.679 6.706 308 H ILE 47 H ILE 47 10.095 6.295 -1.105 309 HA ILE 47 HA ILE 47 12.171 4.866 -2.713 310 HB ILE 47 HB ILE 47 11.086 6.530 -4.080 311 1HG1 ILE 47 2HG1 ILE 47 12.980 7.982 -4.612 312 2HG1 ILE 47 1HG1 ILE 47 13.693 7.673 -3.029 313 1HG2 ILE 47 1HG2 ILE 47 10.825 8.835 -3.414 314 2HG2 ILE 47 2HG2 ILE 47 11.753 8.571 -1.940 315 3HG2 ILE 47 3HG2 ILE 47 10.162 7.834 -2.124 316 1HD1 ILE 47 1HD1 ILE 47 13.045 5.206 -4.455 317 2HD1 ILE 47 2HD1 ILE 47 14.561 5.696 -3.698 318 3HD1 ILE 47 3HD1 ILE 47 14.189 6.214 -5.342 319 HA PRO 48 HA PRO 48 14.379 6.063 1.064 320 1HB PRO 48 HB2 PRO 48 16.121 3.938 0.933 321 2HB PRO 48 HB1 PRO 48 14.519 3.847 1.685 322 1HG PRO 48 HG2 PRO 48 15.425 2.763 -0.945 323 2HG PRO 48 HG1 PRO 48 14.131 2.188 0.120 324 1HD PRO 48 HD2 PRO 48 13.771 3.717 -2.226 325 2HD PRO 48 HD1 PRO 48 12.550 3.448 -0.963 326 H ARG 49 H ARG 49 15.877 7.671 0.770 327 HA ARG 49 HA ARG 49 17.418 7.924 -1.659 328 1HB ARG 49 HB2 ARG 49 17.952 9.332 0.967 329 2HB ARG 49 HB1 ARG 49 18.349 9.895 -0.658 330 1HG ARG 49 HG2 ARG 49 15.503 9.269 -0.329 331 2HG ARG 49 HG1 ARG 49 16.055 10.554 0.745 332 1HD ARG 49 HD2 ARG 49 17.255 11.409 -1.471 333 2HD ARG 49 HD1 ARG 49 15.966 10.486 -2.244 334 HE ARG 49 HE ARG 49 14.813 12.129 -0.216 335 1HH1 ARG 49 1HH1 ARG 49 16.263 12.194 -3.347 336 2HH1 ARG 49 2HH1 ARG 49 15.538 13.702 -3.795 337 1HH2 ARG 49 1HH2 ARG 49 13.925 14.137 -0.758 338 2HH2 ARG 49 2HH2 ARG 49 14.215 14.799 -2.332 339 H GLY 50 H GLY 50 19.648 7.567 -1.970 340 1HA GLY 50 HA2 GLY 50 21.864 7.063 -0.899 341 2HA GLY 50 HA1 GLY 50 20.990 5.981 0.185 342 H GLU 51 H GLU 51 21.806 3.988 -0.402 343 HA GLU 51 HA GLU 51 21.815 3.300 -3.304 344 1HB GLU 51 HB2 GLU 51 23.757 2.903 -1.404 345 2HB GLU 51 HB1 GLU 51 22.925 1.347 -1.393 346 1HG GLU 51 HG2 GLU 51 23.769 0.781 -3.407 347 2HG GLU 51 HG1 GLU 51 23.327 2.340 -4.105 348 H MET 52 H MET 52 19.501 3.339 -1.248 349 HA MET 52 HA MET 52 18.748 0.505 -1.104 350 1HB MET 52 HB2 MET 52 17.303 3.060 -0.352 351 2HB MET 52 HB1 MET 52 16.610 1.451 -0.143 352 1HG MET 52 HG2 MET 52 19.317 1.603 0.924 353 2HG MET 52 HG1 MET 52 18.250 2.785 1.682 354 1HE MET 52 HE1 MET 52 18.656 -1.422 1.328 355 2HE MET 52 HE2 MET 52 19.076 -1.053 2.998 356 3HE MET 52 HE3 MET 52 19.791 -0.115 1.690 357 HA PRO 53 HA PRO 53 16.521 0.435 -4.895 358 1HB PRO 53 HB2 PRO 53 14.774 -1.605 -4.307 359 2HB PRO 53 HB1 PRO 53 16.489 -1.860 -4.676 360 1HG PRO 53 HG2 PRO 53 15.097 -1.981 -2.038 361 2HG PRO 53 HG1 PRO 53 16.564 -2.818 -2.572 362 1HD PRO 53 HD2 PRO 53 16.483 -0.525 -0.922 363 2HD PRO 53 HD1 PRO 53 17.920 -1.159 -1.754 364 H ASP 54 H ASP 54 14.080 0.332 -5.634 365 HA ASP 54 HA ASP 54 12.551 2.188 -3.860 366 1HB ASP 54 HB2 ASP 54 12.048 1.762 -6.804 367 2HB ASP 54 HB1 ASP 54 11.588 3.141 -5.803 368 H ASP 55 H ASP 55 10.319 1.767 -3.514 369 HA ASP 55 HA ASP 55 9.539 -1.060 -4.051 370 1HB ASP 55 HB2 ASP 55 9.531 0.230 -1.690 371 2HB ASP 55 HB1 ASP 55 7.917 0.671 -2.248 372 H ARG 56 H ARG 56 7.630 -1.514 -5.173 373 HA ARG 56 HA ARG 56 6.120 0.846 -6.220 374 1HB ARG 56 HB2 ARG 56 6.542 -1.652 -7.840 375 2HB ARG 56 HB1 ARG 56 6.094 -0.037 -8.391 376 1HG ARG 56 HG2 ARG 56 8.585 0.187 -7.028 377 2HG ARG 56 HG1 ARG 56 8.715 -1.161 -8.158 378 1HD ARG 56 HD2 ARG 56 7.665 0.398 -9.900 379 2HD ARG 56 HD1 ARG 56 7.981 1.707 -8.761 380 HE ARG 56 HE ARG 56 10.441 0.714 -8.893 381 1HH1 ARG 56 1HH1 ARG 56 8.514 2.242 -11.139 382 2HH1 ARG 56 2HH1 ARG 56 9.469 1.827 -12.523 383 1HH2 ARG 56 1HH2 ARG 56 11.507 -0.375 -10.786 384 2HH2 ARG 56 2HH2 ARG 56 11.163 0.346 -12.323 385 H CYS 57 H CYS 57 3.946 0.697 -5.939 386 HA CYS 57 HA CYS 57 2.796 -1.533 -4.521 387 1HB CYS 57 HB2 CYS 57 1.472 0.701 -6.092 388 2HB CYS 57 HB1 CYS 57 0.615 -0.431 -5.048 389 H THR 58 H THR 58 1.079 -2.950 -5.410 390 HA THR 58 HA THR 58 1.850 -3.976 -8.045 391 HB THR 58 HB THR 58 0.284 -5.788 -7.559 392 HG1 THR 58 HG1 THR 58 -0.657 -5.459 -5.275 393 1HG2 THR 58 1HG2 THR 58 1.210 -6.484 -5.302 394 2HG2 THR 58 2HG2 THR 58 1.989 -4.903 -5.220 395 3HG2 THR 58 3HG2 THR 58 2.426 -6.035 -6.500 396 H GLY 59 H GLY 59 -0.050 -1.459 -7.153 397 1HA GLY 59 HA2 GLY 59 -1.451 -0.195 -8.619 398 2HA GLY 59 HA1 GLY 59 -1.568 -1.602 -9.677 399 H GLN 60 H GLN 60 -2.595 -3.571 -8.237 400 HA GLN 60 HA GLN 60 -5.318 -2.691 -7.703 401 1HB GLN 60 HB2 GLN 60 -3.864 -5.304 -7.767 402 2HB GLN 60 HB1 GLN 60 -5.389 -5.229 -6.884 403 1HG GLN 60 HG2 GLN 60 -5.336 -3.980 -9.587 404 2HG GLN 60 HG1 GLN 60 -5.291 -5.742 -9.519 405 1HE2 GLN 60 1HE2 GLN 60 -7.491 -3.407 -9.966 406 2HE2 GLN 60 2HE2 GLN 60 -8.826 -4.055 -9.142 407 H SER 61 H SER 61 -2.511 -2.719 -5.859 408 HA SER 61 HA SER 61 -3.968 -3.200 -3.310 409 1HB SER 61 HB2 SER 61 -1.029 -2.886 -3.960 410 2HB SER 61 HB1 SER 61 -1.647 -3.014 -2.317 411 HG SER 61 HG SER 61 -1.454 -5.080 -2.717 412 H ALA 62 H ALA 62 -4.162 -1.566 -1.741 413 HA ALA 62 HA ALA 62 -3.877 1.190 -2.778 414 1HB ALA 62 HB1 ALA 62 -5.153 0.074 -0.263 415 2HB ALA 62 HB2 ALA 62 -5.989 0.657 -1.701 416 3HB ALA 62 HB3 ALA 62 -5.112 1.789 -0.672 417 H ASP 63 H ASP 63 -2.884 -0.684 0.108 418 HA ASP 63 HA ASP 63 -1.067 1.457 0.933 419 1HB ASP 63 HB2 ASP 63 -1.077 -1.359 2.022 420 2HB ASP 63 HB1 ASP 63 -0.603 0.131 2.840 421 H CYS 64 H CYS 64 1.305 0.663 1.470 422 HA CYS 64 HA CYS 64 2.296 -0.744 -0.968 423 1HB CYS 64 HB2 CYS 64 3.060 1.519 -0.992 424 2HB CYS 64 HB1 CYS 64 3.560 1.441 0.694 425 HA PRO 65 HA PRO 65 3.604 -3.708 2.065 426 1HB PRO 65 HB2 PRO 65 4.072 -5.641 0.184 427 2HB PRO 65 HB1 PRO 65 2.472 -5.300 0.845 428 1HG PRO 65 HG2 PRO 65 3.577 -4.694 -1.842 429 2HG PRO 65 HG1 PRO 65 1.886 -4.834 -1.331 430 1HD PRO 65 HD2 PRO 65 3.340 -2.424 -1.778 431 2HD PRO 65 HD1 PRO 65 1.714 -2.571 -1.081 432 H ARG 66 H ARG 66 5.582 -5.572 1.351 433 HA ARG 66 HA ARG 66 7.889 -3.973 0.367 434 1HB ARG 66 HB2 ARG 66 7.515 -4.115 3.023 435 2HB ARG 66 HB1 ARG 66 8.343 -5.656 2.789 436 1HG ARG 66 HG2 ARG 66 10.238 -4.410 2.933 437 2HG ARG 66 HG1 ARG 66 9.881 -3.986 1.258 438 1HD ARG 66 HD2 ARG 66 8.812 -2.428 3.623 439 2HD ARG 66 HD1 ARG 66 10.307 -2.009 2.787 440 HE ARG 66 HE ARG 66 8.741 -1.925 0.687 441 1HH1 ARG 66 1HH1 ARG 66 6.862 -2.114 3.401 442 2HH1 ARG 66 2HH1 ARG 66 6.067 -0.588 3.202 443 1HH2 ARG 66 1HH2 ARG 66 8.155 0.465 0.642 444 2HH2 ARG 66 2HH2 ARG 66 6.799 0.872 1.641 445 H TYR 67 H TYR 67 9.770 -5.410 -0.138 446 HA TYR 67 HA TYR 67 8.808 -7.927 -1.307 447 1HB TYR 67 HB2 TYR 67 11.200 -8.072 -2.140 448 2HB TYR 67 HB1 TYR 67 10.317 -6.639 -2.666 449 HD1 TYR 67 HD2 TYR 67 12.674 -7.871 -0.039 450 HD2 TYR 67 HD1 TYR 67 11.123 -4.481 -2.173 451 HE1 TYR 67 HE2 TYR 67 14.393 -6.425 1.010 452 HE2 TYR 67 HE1 TYR 67 12.844 -3.034 -1.123 453 HH TYR 67 HH TYR 67 14.440 -2.917 0.438 454 H HIS 68 H HIS 68 10.029 -7.017 1.686 455 HA HIS 68 HA HIS 68 11.678 -9.356 2.219 456 1HB HIS 68 HB2 HIS 68 11.050 -6.921 3.547 457 2HB HIS 68 HB1 HIS 68 10.582 -8.235 4.626 458 HD1 HIS 68 HD1 HIS 68 12.610 -7.851 6.208 459 HD2 HIS 68 HD2 HIS 68 13.692 -8.720 2.276 460 HE1 HIS 68 HE1 HIS 68 15.093 -8.350 6.242
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