NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
7781 | 1l1i | 5323 | cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLN 1 1H GLN 1 -11.325 20.413 -0.002 2 2H GLN 1 2H GLN 1 -11.575 22.099 0.199 3 3H GLN 1 3H GLN 1 -12.282 20.987 1.298 4 HA GLN 1 HA GLN 1 -10.267 22.205 2.063 5 1HB GLN 1 1HB GLN 1 -11.329 19.984 2.879 6 2HB GLN 1 2HB GLN 1 -9.969 19.211 2.079 7 1HG GLN 1 1HG GLN 1 -9.807 21.243 4.295 8 2HG GLN 1 2HG GLN 1 -9.538 19.507 4.445 9 1HE2 GLN 1 1HE2 GLN 1 -7.676 18.595 3.512 10 2HE2 GLN 1 2HE2 GLN 1 -6.293 19.560 3.139 11 H CYS 2 H CYS 2 -9.559 19.392 -0.016 12 HA CYS 2 HA CYS 2 -7.630 20.665 -1.592 13 1HB CYS 2 1HB CYS 2 -6.298 20.805 0.446 14 2HB CYS 2 2HB CYS 2 -6.496 19.079 0.724 15 H THR 3 H THR 3 -8.583 17.651 -0.030 16 HA THR 3 HA THR 3 -8.153 16.263 -2.594 17 HB THR 3 HB THR 3 -7.986 15.109 0.195 18 HG1 THR 3 HG1 THR 3 -5.938 15.532 -1.718 19 1HG2 THR 3 1HG2 THR 3 -7.986 13.073 -0.656 20 2HG2 THR 3 2HG2 THR 3 -6.779 13.520 -1.862 21 3HG2 THR 3 3HG2 THR 3 -8.493 13.771 -2.194 22 H GLY 4 H GLY 4 -10.191 16.432 -3.439 23 1HA GLY 4 1HA GLY 4 -12.154 14.606 -2.535 24 2HA GLY 4 2HA GLY 4 -12.605 16.240 -2.055 25 H GLY 5 H GLY 5 -12.312 13.994 -4.666 26 1HA GLY 5 1HA GLY 5 -14.244 14.903 -6.293 27 2HA GLY 5 2HA GLY 5 -12.910 15.969 -6.707 28 H ALA 6 H ALA 6 -11.463 15.296 -8.172 29 HA ALA 6 HA ALA 6 -10.970 12.484 -8.618 30 1HB ALA 6 1HB ALA 6 -11.849 12.244 -10.739 31 2HB ALA 6 2HB ALA 6 -11.913 13.983 -11.024 32 3HB ALA 6 3HB ALA 6 -13.082 13.224 -9.942 33 H ASP 7 H ASP 7 -9.548 15.062 -7.962 34 HA ASP 7 HA ASP 7 -7.255 14.587 -9.639 35 1HB ASP 7 1HB ASP 7 -8.603 17.299 -9.689 36 2HB ASP 7 2HB ASP 7 -7.035 16.921 -10.407 37 H CYS 8 H CYS 8 -5.586 14.590 -8.285 38 HA CYS 8 HA CYS 8 -5.663 16.429 -5.984 39 1HB CYS 8 1HB CYS 8 -4.859 13.563 -6.193 40 2HB CYS 8 2HB CYS 8 -3.982 14.589 -5.055 41 H THR 9 H THR 9 -2.853 14.488 -6.689 42 HA THR 9 HA THR 9 -0.681 15.132 -7.003 43 HB THR 9 HB THR 9 -0.595 16.711 -9.157 44 HG1 THR 9 HG1 THR 9 -2.476 16.285 -10.410 45 1HG2 THR 9 1HG2 THR 9 -1.292 13.805 -9.023 46 2HG2 THR 9 2HG2 THR 9 0.251 14.564 -9.415 47 3HG2 THR 9 3HG2 THR 9 -1.084 14.635 -10.566 48 H SER 10 H SER 10 -2.175 16.826 -5.149 49 HA SER 10 HA SER 10 -0.519 19.245 -5.387 50 1HB SER 10 1HB SER 10 -2.867 19.769 -6.010 51 2HB SER 10 2HB SER 10 -3.388 19.208 -4.421 52 HG SER 10 HG SER 10 -2.150 20.865 -3.494 53 H CYS 11 H CYS 11 -2.688 17.559 -3.106 54 HA CYS 11 HA CYS 11 -1.211 18.474 -0.826 55 1HB CYS 11 1HB CYS 11 -3.651 16.916 -1.328 56 2HB CYS 11 2HB CYS 11 -2.759 16.407 0.101 57 H THR 12 H THR 12 -0.414 16.848 0.833 58 HA THR 12 HA THR 12 0.964 14.616 -0.508 59 HB THR 12 HB THR 12 2.532 16.457 -0.040 60 HG1 THR 12 HG1 THR 12 2.855 14.170 1.602 61 1HG2 THR 12 1HG2 THR 12 2.359 16.009 2.880 62 2HG2 THR 12 2HG2 THR 12 1.175 17.085 2.135 63 3HG2 THR 12 3HG2 THR 12 2.899 17.424 1.975 64 H GLY 13 H GLY 13 -1.549 14.785 1.113 65 1HA GLY 13 1HA GLY 13 -0.756 13.158 3.430 66 2HA GLY 13 2HA GLY 13 -2.292 13.994 3.256 67 H ALA 14 H ALA 14 -3.905 12.606 3.059 68 HA ALA 14 HA ALA 14 -3.439 10.099 1.586 69 1HB ALA 14 1HB ALA 14 -5.868 10.344 3.236 70 2HB ALA 14 2HB ALA 14 -4.339 10.344 4.114 71 3HB ALA 14 3HB ALA 14 -4.747 8.995 3.054 72 H CYS 15 H CYS 15 -4.627 9.626 -0.183 73 HA CYS 15 HA CYS 15 -6.398 11.715 -1.180 74 1HB CYS 15 1HB CYS 15 -6.075 9.376 -2.908 75 2HB CYS 15 2HB CYS 15 -5.812 11.077 -3.259 76 H THR 16 H THR 16 -8.552 11.465 -1.612 77 HA THR 16 HA THR 16 -9.792 8.871 -1.066 78 HB THR 16 HB THR 16 -10.718 11.455 0.207 79 HG1 THR 16 HG1 THR 16 -9.611 9.165 1.453 80 1HG2 THR 16 1HG2 THR 16 -12.636 10.138 -0.089 81 2HG2 THR 16 2HG2 THR 16 -12.125 9.867 1.576 82 3HG2 THR 16 3HG2 THR 16 -11.783 8.656 0.341 83 H GLY 17 H GLY 17 -9.686 9.304 -3.525 84 1HA GLY 17 1HA GLY 17 -11.421 9.231 -5.188 85 2HA GLY 17 2HA GLY 17 -12.278 10.479 -4.284 86 H CYS 18 H CYS 18 -9.222 9.942 -6.026 87 HA CYS 18 HA CYS 18 -9.543 12.600 -7.234 88 1HB CYS 18 1HB CYS 18 -7.322 11.655 -5.530 89 2HB CYS 18 2HB CYS 18 -6.837 12.468 -7.020 90 H GLY 19 H GLY 19 -6.939 10.189 -7.389 91 1HA GLY 19 1HA GLY 19 -7.139 8.559 -9.320 92 2HA GLY 19 2HA GLY 19 -7.445 9.994 -10.293 93 H ASN 20 H ASN 20 -5.372 11.327 -8.367 94 HA ASN 20 HA ASN 20 -2.910 10.069 -9.181 95 1HB ASN 20 1HB ASN 20 -2.742 12.826 -10.041 96 2HB ASN 20 2HB ASN 20 -2.343 11.357 -10.922 97 1HD2 ASN 20 1HD2 ASN 20 -4.781 13.732 -10.258 98 2HD2 ASN 20 2HD2 ASN 20 -5.849 13.294 -11.544 99 H CYS 21 H CYS 21 -1.737 10.147 -7.400 100 HA CYS 21 HA CYS 21 -1.779 12.621 -5.801 101 1HB CYS 21 1HB CYS 21 -2.126 9.824 -5.013 102 2HB CYS 21 2HB CYS 21 -0.892 10.663 -4.068 103 HA PRO 22 HA PRO 22 2.591 12.677 -6.291 104 1HB PRO 22 1HB PRO 22 3.364 14.099 -4.124 105 2HB PRO 22 2HB PRO 22 2.468 14.804 -5.469 106 1HG PRO 22 1HG PRO 22 1.552 14.134 -2.748 107 2HG PRO 22 2HG PRO 22 0.916 15.324 -3.891 108 1HD PRO 22 1HD PRO 22 -0.116 12.731 -3.328 109 2HD PRO 22 2HD PRO 22 -0.682 13.876 -4.558 110 H ASN 23 H ASN 23 2.766 12.626 -2.758 111 HA ASN 23 HA ASN 23 4.135 10.022 -2.943 112 1HB ASN 23 1HB ASN 23 4.952 11.826 -0.746 113 2HB ASN 23 2HB ASN 23 5.924 10.745 -1.744 114 1HD2 ASN 23 1HD2 ASN 23 4.116 13.782 -1.889 115 2HD2 ASN 23 2HD2 ASN 23 5.196 14.577 -2.980 116 H ALA 24 H ALA 24 1.322 10.776 -2.196 117 HA ALA 24 HA ALA 24 0.826 10.634 0.518 118 1HB ALA 24 1HB ALA 24 -0.800 9.312 -1.653 119 2HB ALA 24 2HB ALA 24 -0.899 11.014 -1.200 120 3HB ALA 24 3HB ALA 24 -1.367 9.765 -0.045 121 H VAL 25 H VAL 25 0.425 8.941 1.978 122 HA VAL 25 HA VAL 25 2.023 6.576 1.500 123 HB VAL 25 HB VAL 25 1.813 6.080 3.792 124 1HG1 VAL 25 1HG1 VAL 25 1.766 9.086 3.564 125 2HG1 VAL 25 2HG1 VAL 25 3.178 8.055 3.335 126 3HG1 VAL 25 3HG1 VAL 25 2.406 8.157 4.919 127 1HG2 VAL 25 1HG2 VAL 25 -0.588 6.207 4.027 128 2HG2 VAL 25 2HG2 VAL 25 -0.541 7.965 3.874 129 3HG2 VAL 25 3HG2 VAL 25 0.178 7.183 5.281 130 H THR 26 H THR 26 -1.343 7.451 1.644 131 HA THR 26 HA THR 26 -2.059 4.878 0.545 132 HB THR 26 HB THR 26 -2.185 4.481 2.974 133 HG1 THR 26 HG1 THR 26 -3.825 3.276 2.543 134 1HG2 THR 26 1HG2 THR 26 -2.787 6.824 3.616 135 2HG2 THR 26 2HG2 THR 26 -3.748 5.558 4.384 136 3HG2 THR 26 3HG2 THR 26 -4.418 6.481 3.037 137 H CYS 27 H CYS 27 -4.480 4.815 0.132 138 HA CYS 27 HA CYS 27 -5.756 7.384 -0.180 139 1HB CYS 27 1HB CYS 27 -5.968 6.246 -2.778 140 2HB CYS 27 2HB CYS 27 -5.246 7.785 -2.316 141 H THR 28 H THR 28 -7.918 7.226 -0.172 142 HA THR 28 HA THR 28 -9.050 4.529 -0.055 143 HB THR 28 HB THR 28 -10.274 7.183 0.734 144 HG1 THR 28 HG1 THR 28 -9.332 6.909 2.574 145 1HG2 THR 28 1HG2 THR 28 -11.416 4.547 0.501 146 2HG2 THR 28 2HG2 THR 28 -12.195 6.093 0.838 147 3HG2 THR 28 3HG2 THR 28 -11.500 5.150 2.156 148 H ASN 29 H ASN 29 -9.409 3.925 -2.136 149 HA ASN 29 HA ASN 29 -10.658 3.692 -3.993 150 1HB ASN 29 1HB ASN 29 -11.869 6.417 -3.562 151 2HB ASN 29 2HB ASN 29 -12.521 5.063 -4.487 152 1HD2 ASN 29 1HD2 ASN 29 -13.276 3.211 -3.319 153 2HD2 ASN 29 2HD2 ASN 29 -13.866 3.389 -1.705 154 H SER 30 H SER 30 -11.147 5.225 -6.011 155 HA SER 30 HA SER 30 -10.356 6.603 -7.682 156 1HB SER 30 1HB SER 30 -9.136 7.747 -5.479 157 2HB SER 30 2HB SER 30 -7.772 7.325 -6.515 158 HG SER 30 HG SER 30 -9.041 8.393 -8.234 159 H GLN 31 H GLN 31 -7.656 6.882 -8.539 160 HA GLN 31 HA GLN 31 -6.705 4.122 -8.778 161 1HB GLN 31 1HB GLN 31 -8.207 4.542 -10.685 162 2HB GLN 31 2HB GLN 31 -7.230 5.939 -11.137 163 1HG GLN 31 1HG GLN 31 -5.285 4.240 -11.238 164 2HG GLN 31 2HG GLN 31 -6.566 3.031 -11.318 165 1HE2 GLN 31 1HE2 GLN 31 -5.910 6.214 -12.755 166 2HE2 GLN 31 2HE2 GLN 31 -6.273 5.745 -14.379 167 H HIS 32 H HIS 32 -4.952 4.834 -7.443 168 HA HIS 32 HA HIS 32 -2.606 5.397 -8.722 169 1HB HIS 32 1HB HIS 32 -4.163 7.780 -8.525 170 2HB HIS 32 2HB HIS 32 -2.766 7.953 -7.459 171 HD1 HIS 32 HD1 HIS 32 -3.485 6.991 -11.071 172 HD2 HIS 32 HD2 HIS 32 -0.512 8.732 -8.745 173 HE1 HIS 32 HE1 HIS 32 -1.714 7.739 -12.692 174 HE2 HIS 32 HE2 HIS 32 0.032 8.870 -11.270 175 H CYS 33 H CYS 33 -3.253 3.738 -6.747 176 HA CYS 33 HA CYS 33 -1.965 4.854 -4.340 177 1HB CYS 33 1HB CYS 33 -4.430 3.566 -4.597 178 2HB CYS 33 2HB CYS 33 -3.357 2.331 -3.940 179 H VAL 34 H VAL 34 -0.677 3.703 -6.749 180 HA VAL 34 HA VAL 34 0.175 1.082 -6.402 181 HB VAL 34 HB VAL 34 0.575 2.374 -8.457 182 1HG1 VAL 34 1HG1 VAL 34 2.829 3.717 -6.979 183 2HG1 VAL 34 2HG1 VAL 34 1.266 4.475 -7.284 184 3HG1 VAL 34 3HG1 VAL 34 2.299 4.011 -8.636 185 1HG2 VAL 34 1HG2 VAL 34 3.253 1.488 -7.449 186 2HG2 VAL 34 2HG2 VAL 34 2.543 1.285 -9.051 187 3HG2 VAL 34 3HG2 VAL 34 1.948 0.327 -7.695 188 H LYS 35 H LYS 35 1.744 4.063 -5.239 189 HA LYS 35 HA LYS 35 3.617 2.425 -3.710 190 1HB LYS 35 1HB LYS 35 5.036 4.265 -3.604 191 2HB LYS 35 2HB LYS 35 4.298 4.429 -5.187 192 1HG LYS 35 1HG LYS 35 3.698 6.006 -2.699 193 2HG LYS 35 2HG LYS 35 4.364 6.584 -4.224 194 1HD LYS 35 1HD LYS 35 2.225 5.985 -5.328 195 2HD LYS 35 2HD LYS 35 1.571 5.549 -3.748 196 1HE LYS 35 1HE LYS 35 1.794 7.799 -2.966 197 2HE LYS 35 2HE LYS 35 2.681 8.269 -4.414 198 1HZ LYS 35 1HZ LYS 35 -0.157 7.394 -4.343 199 2HZ LYS 35 2HZ LYS 35 0.696 7.869 -5.724 200 3HZ LYS 35 3HZ LYS 35 0.375 8.993 -4.501 201 H ALA 36 H ALA 36 0.848 2.567 -2.913 202 HA ALA 36 HA ALA 36 1.003 4.124 -0.429 203 1HB ALA 36 1HB ALA 36 -1.204 3.239 -2.171 204 2HB ALA 36 2HB ALA 36 -1.016 4.724 -1.238 205 3HB ALA 36 3HB ALA 36 -1.529 3.239 -0.439 206 H ASN 37 H ASN 37 0.425 3.175 1.582 207 HA ASN 37 HA ASN 37 1.440 0.528 1.917 208 1HB ASN 37 1HB ASN 37 0.441 2.687 3.683 209 2HB ASN 37 2HB ASN 37 0.328 1.048 4.319 210 1HD2 ASN 37 1HD2 ASN 37 2.117 3.597 4.628 211 2HD2 ASN 37 2HD2 ASN 37 3.700 2.916 4.756 212 H THR 38 H THR 38 -1.708 1.824 1.356 213 HA THR 38 HA THR 38 -2.833 -0.819 1.270 214 HB THR 38 HB THR 38 -4.385 0.963 3.062 215 HG1 THR 38 HG1 THR 38 -3.151 0.261 4.856 216 1HG2 THR 38 1HG2 THR 38 -5.330 -0.927 3.825 217 2HG2 THR 38 2HG2 THR 38 -3.825 -1.842 3.755 218 3HG2 THR 38 3HG2 THR 38 -4.763 -1.571 2.285 219 H CYS 39 H CYS 39 -4.123 -0.858 -0.439 220 HA CYS 39 HA CYS 39 -5.475 1.639 -1.237 221 1HB CYS 39 1HB CYS 39 -5.351 -0.432 -3.302 222 2HB CYS 39 2HB CYS 39 -4.936 1.278 -3.398 223 H THR 40 H THR 40 -7.626 1.631 -0.975 224 HA THR 40 HA THR 40 -8.985 -0.885 -0.500 225 HB THR 40 HB THR 40 -10.893 0.589 0.092 226 HG1 THR 40 HG1 THR 40 -10.709 2.757 -0.034 227 1HG2 THR 40 1HG2 THR 40 -9.679 0.148 1.990 228 2HG2 THR 40 2HG2 THR 40 -9.667 1.910 1.942 229 3HG2 THR 40 3HG2 THR 40 -8.254 1.003 1.401 230 H GLY 41 H GLY 41 -11.398 0.967 -1.687 231 1HA GLY 41 1HA GLY 41 -11.634 -0.539 -4.084 232 2HA GLY 41 2HA GLY 41 -12.633 0.832 -3.630 233 H SER 42 H SER 42 -9.340 0.109 -4.745 234 HA SER 42 HA SER 42 -9.613 2.279 -6.681 235 1HB SER 42 1HB SER 42 -7.044 2.039 -5.133 236 2HB SER 42 2HB SER 42 -7.696 3.441 -5.975 237 HG SER 42 HG SER 42 -7.940 3.789 -3.796 238 H THR 43 H THR 43 -6.623 1.900 -7.136 239 HA THR 43 HA THR 43 -6.568 -0.876 -7.975 240 HB THR 43 HB THR 43 -6.302 -0.515 -10.224 241 HG1 THR 43 HG1 THR 43 -5.575 2.142 -9.569 242 1HG2 THR 43 1HG2 THR 43 -8.551 0.014 -9.901 243 2HG2 THR 43 2HG2 THR 43 -7.929 1.284 -10.959 244 3HG2 THR 43 3HG2 THR 43 -8.179 1.609 -9.239 245 H ASP 44 H ASP 44 -4.135 0.039 -9.701 246 HA ASP 44 HA ASP 44 -1.895 -0.471 -9.138 247 1HB ASP 44 1HB ASP 44 -2.742 2.309 -8.938 248 2HB ASP 44 2HB ASP 44 -1.257 1.996 -8.047 249 H CYS 45 H CYS 45 -1.858 -2.020 -7.485 250 HA CYS 45 HA CYS 45 -1.257 -0.938 -4.820 251 1HB CYS 45 1HB CYS 45 -3.626 -2.164 -5.349 252 2HB CYS 45 2HB CYS 45 -2.642 -3.552 -4.893 253 H ASN 46 H ASN 46 0.954 -1.265 -5.662 254 HA ASN 46 HA ASN 46 1.771 -4.087 -5.733 255 1HB ASN 46 1HB ASN 46 2.326 -2.431 -7.635 256 2HB ASN 46 2HB ASN 46 3.524 -1.771 -6.518 257 1HD2 ASN 46 1HD2 ASN 46 3.408 -3.544 -9.094 258 2HD2 ASN 46 2HD2 ASN 46 4.607 -4.745 -8.766 259 H THR 47 H THR 47 2.109 -1.145 -3.920 260 HA THR 47 HA THR 47 4.282 -2.301 -2.329 261 HB THR 47 HB THR 47 4.445 -0.050 -1.309 262 HG1 THR 47 HG1 THR 47 2.463 0.673 -3.199 263 1HG2 THR 47 1HG2 THR 47 5.158 1.216 -3.309 264 2HG2 THR 47 2HG2 THR 47 4.494 -0.073 -4.315 265 3HG2 THR 47 3HG2 THR 47 5.835 -0.411 -3.221 266 H ALA 48 H ALA 48 0.902 -1.572 -2.208 267 HA ALA 48 HA ALA 48 0.620 -1.550 0.623 268 1HB ALA 48 1HB ALA 48 -1.380 -0.799 0.058 269 2HB ALA 48 2HB ALA 48 -1.800 -2.374 -0.614 270 3HB ALA 48 3HB ALA 48 -1.035 -1.154 -1.631 271 H GLN 49 H GLN 49 -1.048 -3.220 1.595 272 HA GLN 49 HA GLN 49 0.003 -5.896 0.962 273 1HB GLN 49 1HB GLN 49 -0.887 -6.244 3.466 274 2HB GLN 49 2HB GLN 49 0.745 -5.710 3.090 275 1HG GLN 49 1HG GLN 49 -1.387 -3.666 3.462 276 2HG GLN 49 2HG GLN 49 -0.712 -4.473 4.876 277 1HE2 GLN 49 1HE2 GLN 49 1.016 -3.586 5.744 278 2HE2 GLN 49 2HE2 GLN 49 2.103 -2.495 4.962 279 H THR 50 H THR 50 -2.745 -4.177 0.474 280 HA THR 50 HA THR 50 -4.293 -6.469 -0.061 281 HB THR 50 HB THR 50 -4.326 -6.341 2.491 282 HG1 THR 50 HG1 THR 50 -6.879 -6.250 1.284 283 1HG2 THR 50 1HG2 THR 50 -6.311 -4.147 1.965 284 2HG2 THR 50 2HG2 THR 50 -4.729 -3.935 2.714 285 3HG2 THR 50 3HG2 THR 50 -5.962 -4.907 3.517 286 H CYS 51 H CYS 51 -6.588 -5.932 -0.639 287 HA CYS 51 HA CYS 51 -7.140 -3.145 -1.191 288 1HB CYS 51 1HB CYS 51 -7.460 -3.443 -3.594 289 2HB CYS 51 2HB CYS 51 -5.792 -3.830 -3.142 290 H THR 52 H THR 52 -9.301 -3.005 -2.486 291 HA THR 52 HA THR 52 -11.108 -5.173 -1.686 292 HB THR 52 HB THR 52 -11.075 -3.227 -0.024 293 HG1 THR 52 HG1 THR 52 -13.064 -3.761 0.433 294 1HG2 THR 52 1HG2 THR 52 -11.548 -1.166 -0.639 295 2HG2 THR 52 2HG2 THR 52 -13.056 -1.695 -1.383 296 3HG2 THR 52 3HG2 THR 52 -11.563 -1.695 -2.321 297 H ASN 53 H ASN 53 -9.910 -3.747 -4.206 298 HA ASN 53 HA ASN 53 -11.580 -4.505 -6.152 299 1HB ASN 53 1HB ASN 53 -13.371 -3.110 -5.152 300 2HB ASN 53 2HB ASN 53 -12.368 -1.678 -5.390 301 1HD2 ASN 53 1HD2 ASN 53 -14.215 -0.914 -6.607 302 2HD2 ASN 53 2HD2 ASN 53 -14.385 -1.375 -8.264 303 H SER 54 H SER 54 -8.848 -4.010 -5.710 304 HA SER 54 HA SER 54 -8.192 -1.848 -7.589 305 1HB SER 54 1HB SER 54 -6.777 -1.470 -5.835 306 2HB SER 54 2HB SER 54 -6.740 -3.167 -5.352 307 HG SER 54 HG SER 54 -4.909 -3.261 -6.366 308 H LYS 55 H LYS 55 -7.154 -2.227 -9.503 309 HA LYS 55 HA LYS 55 -7.168 -4.990 -10.427 310 1HB LYS 55 1HB LYS 55 -6.627 -2.468 -11.998 311 2HB LYS 55 2HB LYS 55 -6.962 -4.064 -12.654 312 1HG LYS 55 1HG LYS 55 -9.210 -3.987 -11.993 313 2HG LYS 55 2HG LYS 55 -8.930 -2.623 -10.912 314 1HD LYS 55 1HD LYS 55 -9.316 -1.163 -12.548 315 2HD LYS 55 2HD LYS 55 -8.144 -1.957 -13.602 316 1HE LYS 55 1HE LYS 55 -10.922 -3.026 -13.184 317 2HE LYS 55 2HE LYS 55 -10.549 -1.833 -14.427 318 1HZ LYS 55 1HZ LYS 55 -10.225 -3.696 -15.636 319 2HZ LYS 55 2HZ LYS 55 -9.852 -4.658 -14.296 320 3HZ LYS 55 3HZ LYS 55 -8.681 -3.626 -14.946 321 H ASP 56 H ASP 56 -5.035 -3.811 -8.609 322 HA ASP 56 HA ASP 56 -2.799 -4.928 -10.084 323 1HB ASP 56 1HB ASP 56 -2.973 -2.074 -9.214 324 2HB ASP 56 2HB ASP 56 -1.407 -2.889 -9.194 325 H CYS 57 H CYS 57 -4.365 -5.764 -7.792 326 HA CYS 57 HA CYS 57 -2.822 -5.332 -5.420 327 1HB CYS 57 1HB CYS 57 -4.745 -7.615 -5.832 328 2HB CYS 57 2HB CYS 57 -4.339 -6.779 -4.332 329 H PHE 58 H PHE 58 -0.746 -5.896 -6.535 330 HA PHE 58 HA PHE 58 -0.262 -8.689 -7.062 331 1HB PHE 58 1HB PHE 58 1.813 -6.508 -6.832 332 2HB PHE 58 2HB PHE 58 1.943 -8.034 -7.699 333 HD1 PHE 58 HD1 PHE 58 1.040 -4.610 -7.834 334 HD2 PHE 58 HD2 PHE 58 0.525 -8.391 -9.707 335 HE1 PHE 58 HE1 PHE 58 0.341 -3.487 -9.901 336 HE2 PHE 58 HE2 PHE 58 -0.181 -7.276 -11.775 337 HZ PHE 58 HZ PHE 58 -0.253 -4.837 -11.845 338 H GLU 59 H GLU 59 1.007 -6.346 -4.694 339 HA GLU 59 HA GLU 59 1.976 -8.566 -3.058 340 1HB GLU 59 1HB GLU 59 2.566 -5.650 -3.223 341 2HB GLU 59 2HB GLU 59 2.808 -6.453 -1.673 342 1HG GLU 59 1HG GLU 59 3.961 -7.968 -3.847 343 2HG GLU 59 2HG GLU 59 4.595 -6.324 -3.789 344 H ALA 60 H ALA 60 -0.803 -8.317 -3.202 345 HA ALA 60 HA ALA 60 -1.498 -7.228 -0.559 346 1HB ALA 60 1HB ALA 60 -3.904 -7.578 -1.639 347 2HB ALA 60 2HB ALA 60 -2.969 -7.387 -3.121 348 3HB ALA 60 3HB ALA 60 -2.953 -6.115 -1.900 349 H ASN 61 H ASN 61 -2.418 -8.498 0.966 350 HA ASN 61 HA ASN 61 -2.332 -11.362 0.512 351 1HB ASN 61 1HB ASN 61 -2.885 -11.448 2.986 352 2HB ASN 61 2HB ASN 61 -1.358 -10.674 2.571 353 1HD2 ASN 61 1HD2 ASN 61 -1.357 -9.559 4.532 354 2HD2 ASN 61 2HD2 ASN 61 -2.383 -8.196 4.804 355 H THR 62 H THR 62 -4.677 -8.820 0.951 356 HA THR 62 HA THR 62 -6.821 -10.801 0.560 357 HB THR 62 HB THR 62 -7.657 -8.360 1.939 358 HG1 THR 62 HG1 THR 62 -6.491 -8.528 3.699 359 1HG2 THR 62 1HG2 THR 62 -8.288 -10.391 3.596 360 2HG2 THR 62 2HG2 THR 62 -8.197 -11.239 2.052 361 3HG2 THR 62 3HG2 THR 62 -9.285 -9.863 2.239 362 H CYS 63 H CYS 63 -8.249 -10.359 -1.035 363 HA CYS 63 HA CYS 63 -8.504 -7.659 -2.064 364 1HB CYS 63 1HB CYS 63 -8.022 -8.388 -4.405 365 2HB CYS 63 2HB CYS 63 -6.610 -8.393 -3.347 366 H THR 64 H THR 64 -10.646 -7.516 -1.835 367 HA THR 64 HA THR 64 -12.308 -9.625 -3.051 368 HB THR 64 HB THR 64 -14.065 -8.309 -1.476 369 HG1 THR 64 HG1 THR 64 -13.099 -7.208 0.000 370 1HG2 THR 64 1HG2 THR 64 -12.506 -10.206 0.106 371 2HG2 THR 64 2HG2 THR 64 -13.014 -10.811 -1.470 372 3HG2 THR 64 3HG2 THR 64 -14.216 -10.214 -0.327 373 H ASP 65 H ASP 65 -13.558 -9.056 -4.729 374 HA ASP 65 HA ASP 65 -14.779 -7.771 -6.190 375 1HB ASP 65 1HB ASP 65 -14.136 -5.298 -4.593 376 2HB ASP 65 2HB ASP 65 -15.539 -5.615 -5.620 377 H SER 66 H SER 66 -11.742 -8.071 -6.022 378 HA SER 66 HA SER 66 -11.110 -5.952 -7.966 379 1HB SER 66 1HB SER 66 -9.097 -5.504 -6.977 380 2HB SER 66 2HB SER 66 -9.996 -6.002 -5.542 381 HG SER 66 HG SER 66 -7.837 -7.150 -6.702 382 H THR 67 H THR 67 -8.833 -6.689 -9.028 383 HA THR 67 HA THR 67 -8.973 -9.514 -9.749 384 HB THR 67 HB THR 67 -10.281 -8.530 -11.456 385 HG1 THR 67 HG1 THR 67 -7.677 -8.661 -12.551 386 1HG2 THR 67 1HG2 THR 67 -9.507 -6.182 -11.028 387 2HG2 THR 67 2HG2 THR 67 -9.768 -6.625 -12.716 388 3HG2 THR 67 3HG2 THR 67 -8.129 -6.543 -12.068 389 H ASN 68 H ASN 68 -7.070 -10.200 -11.051 390 HA ASN 68 HA ASN 68 -4.825 -10.444 -11.295 391 1HB ASN 68 1HB ASN 68 -4.648 -7.447 -10.952 392 2HB ASN 68 2HB ASN 68 -3.498 -8.502 -11.774 393 1HD2 ASN 68 1HD2 ASN 68 -4.908 -10.003 -13.403 394 2HD2 ASN 68 2HD2 ASN 68 -5.815 -9.060 -14.532 395 H CYS 69 H CYS 69 -5.523 -11.188 -8.879 396 HA CYS 69 HA CYS 69 -4.009 -9.725 -6.876 397 1HB CYS 69 1HB CYS 69 -6.317 -11.124 -6.684 398 2HB CYS 69 2HB CYS 69 -5.161 -12.359 -6.181 399 H TYR 70 H TYR 70 -2.029 -10.156 -8.198 400 HA TYR 70 HA TYR 70 -0.832 -12.563 -8.662 401 1HB TYR 70 1HB TYR 70 -0.019 -9.831 -8.539 402 2HB TYR 70 2HB TYR 70 1.205 -10.808 -7.725 403 HD1 TYR 70 HD1 TYR 70 -0.910 -11.792 -10.621 404 HD2 TYR 70 HD2 TYR 70 2.979 -10.729 -9.258 405 HE1 TYR 70 HE1 TYR 70 0.023 -12.426 -12.805 406 HE2 TYR 70 HE2 TYR 70 3.922 -11.362 -11.439 407 HH TYR 70 HH TYR 70 2.964 -13.155 -13.408 408 H LYS 71 H LYS 71 -1.204 -14.081 -7.110 409 HA LYS 71 HA LYS 71 -0.593 -15.411 -5.360 410 1HB LYS 71 1HB LYS 71 1.597 -13.588 -5.580 411 2HB LYS 71 2HB LYS 71 1.245 -13.827 -3.869 412 1HG LYS 71 1HG LYS 71 2.421 -15.698 -3.971 413 2HG LYS 71 2HG LYS 71 1.151 -16.378 -4.990 414 1HD LYS 71 1HD LYS 71 3.313 -14.684 -6.184 415 2HD LYS 71 2HD LYS 71 3.602 -16.390 -5.839 416 1HE LYS 71 1HE LYS 71 2.615 -16.912 -7.758 417 2HE LYS 71 2HE LYS 71 1.107 -16.239 -7.139 418 1HZ LYS 71 1HZ LYS 71 1.375 -14.957 -8.974 419 2HZ LYS 71 2HZ LYS 71 3.063 -15.053 -8.958 420 3HZ LYS 71 3HZ LYS 71 2.266 -14.013 -7.889 421 H ALA 72 H ALA 72 -2.754 -14.975 -4.620 422 HA ALA 72 HA ALA 72 -2.872 -13.158 -2.305 423 1HB ALA 72 1HB ALA 72 -4.978 -12.580 -2.855 424 2HB ALA 72 2HB ALA 72 -5.398 -14.205 -3.393 425 3HB ALA 72 3HB ALA 72 -4.496 -13.129 -4.460 426 H THR 73 H THR 73 -4.558 -13.909 -0.641 427 HA THR 73 HA THR 73 -4.150 -16.783 -0.135 428 HB THR 73 HB THR 73 -4.234 -16.276 2.250 429 HG1 THR 73 HG1 THR 73 -4.416 -13.551 1.496 430 1HG2 THR 73 1HG2 THR 73 -2.195 -15.084 2.549 431 2HG2 THR 73 2HG2 THR 73 -2.338 -14.335 0.958 432 3HG2 THR 73 3HG2 THR 73 -2.046 -16.069 1.094 433 H ALA 74 H ALA 74 -6.405 -14.082 0.115 434 HA ALA 74 HA ALA 74 -8.607 -16.030 0.345 435 1HB ALA 74 1HB ALA 74 -9.542 -13.551 1.280 436 2HB ALA 74 2HB ALA 74 -7.964 -13.796 2.029 437 3HB ALA 74 3HB ALA 74 -9.229 -15.011 2.219 438 H CYS 75 H CYS 75 -9.919 -16.056 -1.358 439 HA CYS 75 HA CYS 75 -10.531 -13.586 -2.765 440 1HB CYS 75 1HB CYS 75 -8.664 -14.223 -4.053 441 2HB CYS 75 2HB CYS 75 -9.111 -15.931 -4.027 442 H THR 76 H THR 76 -12.559 -13.529 -3.534 443 HA THR 76 HA THR 76 -14.104 -16.039 -3.514 444 HB THR 76 HB THR 76 -15.037 -13.272 -2.723 445 HG1 THR 76 HG1 THR 76 -14.563 -15.627 -1.223 446 1HG2 THR 76 1HG2 THR 76 -16.791 -15.407 -1.953 447 2HG2 THR 76 2HG2 THR 76 -16.590 -15.366 -3.704 448 3HG2 THR 76 3HG2 THR 76 -17.142 -13.928 -2.846 449 H ASN 77 H ASN 77 -14.679 -12.693 -4.595 450 HA ASN 77 HA ASN 77 -15.371 -13.769 -7.252 451 1HB ASN 77 1HB ASN 77 -16.941 -11.902 -7.495 452 2HB ASN 77 2HB ASN 77 -17.325 -12.860 -6.063 453 1HD2 ASN 77 1HD2 ASN 77 -17.273 -9.843 -7.135 454 2HD2 ASN 77 2HD2 ASN 77 -16.903 -8.984 -5.682 455 H SER 78 H SER 78 -12.737 -13.105 -6.552 456 HA SER 78 HA SER 78 -12.297 -10.621 -8.078 457 1HB SER 78 1HB SER 78 -11.441 -10.287 -5.881 458 2HB SER 78 2HB SER 78 -10.695 -11.889 -5.851 459 HG SER 78 HG SER 78 -9.231 -11.163 -7.433 460 H SER 79 H SER 79 -10.290 -10.583 -9.379 461 HA SER 79 HA SER 79 -9.849 -13.208 -10.625 462 1HB SER 79 1HB SER 79 -10.175 -10.522 -11.668 463 2HB SER 79 2HB SER 79 -8.689 -11.261 -12.262 464 HG SER 79 HG SER 79 -9.857 -12.905 -13.142 465 H GLY 80 H GLY 80 -7.639 -13.608 -11.498 466 1HA GLY 80 1HA GLY 80 -5.368 -13.812 -11.220 467 2HA GLY 80 2HA GLY 80 -5.387 -12.185 -10.547 468 H CYS 81 H CYS 81 -7.441 -14.418 -8.966 469 HA CYS 81 HA CYS 81 -5.412 -14.843 -6.868 470 1HB CYS 81 1HB CYS 81 -7.517 -14.859 -5.330 471 2HB CYS 81 2HB CYS 81 -6.826 -13.320 -5.831 472 HA PRO 82 HA PRO 82 -5.977 -19.189 -6.262 473 1HB PRO 82 1HB PRO 82 -8.128 -18.511 -4.282 474 2HB PRO 82 2HB PRO 82 -6.870 -19.756 -4.185 475 1HG PRO 82 1HG PRO 82 -6.637 -17.350 -2.962 476 2HG PRO 82 2HG PRO 82 -5.244 -18.254 -3.579 477 1HD PRO 82 1HD PRO 82 -6.361 -15.743 -4.529 478 2HD PRO 82 2HD PRO 82 -4.841 -16.527 -4.988 479 H GLY 83 H GLY 83 -6.855 -19.488 -8.345 480 1HA GLY 83 1HA GLY 83 -9.210 -20.858 -8.582 481 2HA GLY 83 2HA GLY 83 -9.663 -19.181 -8.857 482 H HIS 84 H HIS 84 -7.039 -18.566 -10.071 483 HA HIS 84 HA HIS 84 -7.511 -19.838 -12.684 484 1HB HIS 84 1HB HIS 84 -7.941 -17.459 -12.762 485 2HB HIS 84 2HB HIS 84 -6.393 -17.111 -12.003 486 HD1 HIS 84 HD1 HIS 84 -6.020 -19.703 -14.515 487 HD2 HIS 84 HD2 HIS 84 -6.093 -15.548 -14.480 488 HE1 HIS 84 HE1 HIS 84 -5.004 -18.995 -16.703 489 HE2 HIS 84 HE2 HIS 84 -4.972 -16.477 -16.617 Start of MODEL 2 1 1H GLN 1 1H GLN 1 -7.536 13.390 1.358 2 2H GLN 1 2H GLN 1 -8.993 13.194 2.244 3 3H GLN 1 3H GLN 1 -7.516 12.581 2.868 4 HA GLN 1 HA GLN 1 -8.196 14.592 3.961 5 1HB GLN 1 1HB GLN 1 -5.827 13.944 3.724 6 2HB GLN 1 2HB GLN 1 -5.738 14.837 2.212 7 1HG GLN 1 1HG GLN 1 -4.984 16.516 3.464 8 2HG GLN 1 2HG GLN 1 -6.669 16.737 3.931 9 1HE2 GLN 1 1HE2 GLN 1 -5.570 17.711 5.825 10 2HE2 GLN 1 2HE2 GLN 1 -5.155 16.670 7.140 11 H CYS 2 H CYS 2 -7.280 15.208 0.568 12 HA CYS 2 HA CYS 2 -8.884 17.673 0.669 13 1HB CYS 2 1HB CYS 2 -7.560 18.277 -1.419 14 2HB CYS 2 2HB CYS 2 -6.658 18.238 0.092 15 H THR 3 H THR 3 -9.983 18.268 -1.381 16 HA THR 3 HA THR 3 -11.110 15.866 -2.663 17 HB THR 3 HB THR 3 -13.191 16.919 -2.804 18 HG1 THR 3 HG1 THR 3 -12.851 18.879 -3.620 19 1HG2 THR 3 1HG2 THR 3 -11.902 17.825 -0.255 20 2HG2 THR 3 2HG2 THR 3 -12.946 16.429 -0.519 21 3HG2 THR 3 3HG2 THR 3 -13.615 18.059 -0.601 22 H GLY 4 H GLY 4 -8.703 17.261 -3.490 23 1HA GLY 4 1HA GLY 4 -8.903 19.066 -5.534 24 2HA GLY 4 2HA GLY 4 -7.719 17.762 -5.514 25 H GLY 5 H GLY 5 -9.997 19.158 -7.367 26 1HA GLY 5 1HA GLY 5 -11.551 17.084 -8.403 27 2HA GLY 5 2HA GLY 5 -11.090 18.531 -9.284 28 H ALA 6 H ALA 6 -11.259 15.510 -9.870 29 HA ALA 6 HA ALA 6 -10.234 14.072 -11.305 30 1HB ALA 6 1HB ALA 6 -8.020 15.429 -12.329 31 2HB ALA 6 2HB ALA 6 -9.240 16.671 -12.052 32 3HB ALA 6 3HB ALA 6 -9.616 15.278 -13.066 33 H ASP 7 H ASP 7 -7.378 15.938 -10.305 34 HA ASP 7 HA ASP 7 -6.279 13.458 -9.158 35 1HB ASP 7 1HB ASP 7 -4.700 15.857 -10.097 36 2HB ASP 7 2HB ASP 7 -4.083 14.253 -9.691 37 H CYS 8 H CYS 8 -4.230 14.372 -7.672 38 HA CYS 8 HA CYS 8 -5.492 16.152 -5.692 39 1HB CYS 8 1HB CYS 8 -4.348 13.460 -5.392 40 2HB CYS 8 2HB CYS 8 -3.766 14.628 -4.202 41 H THR 9 H THR 9 -4.269 17.760 -7.030 42 HA THR 9 HA THR 9 -1.392 17.775 -6.634 43 HB THR 9 HB THR 9 -1.861 20.154 -7.788 44 HG1 THR 9 HG1 THR 9 -4.183 19.650 -7.678 45 1HG2 THR 9 1HG2 THR 9 -2.142 17.757 -9.541 46 2HG2 THR 9 2HG2 THR 9 -0.633 18.069 -8.683 47 3HG2 THR 9 3HG2 THR 9 -1.262 19.259 -9.823 48 H SER 10 H SER 10 -0.261 19.300 -5.438 49 HA SER 10 HA SER 10 0.144 20.875 -3.837 50 1HB SER 10 1HB SER 10 -1.796 22.091 -5.088 51 2HB SER 10 2HB SER 10 -2.763 21.613 -3.694 52 HG SER 10 HG SER 10 -1.957 23.504 -3.059 53 H CYS 11 H CYS 11 -1.452 18.114 -3.467 54 HA CYS 11 HA CYS 11 -2.130 18.516 -0.642 55 1HB CYS 11 1HB CYS 11 -2.727 16.219 -2.516 56 2HB CYS 11 2HB CYS 11 -3.181 16.263 -0.816 57 H THR 12 H THR 12 -1.609 16.506 0.755 58 HA THR 12 HA THR 12 0.949 15.292 0.051 59 HB THR 12 HB THR 12 1.507 17.370 1.266 60 HG1 THR 12 HG1 THR 12 1.985 14.936 2.629 61 1HG2 THR 12 1HG2 THR 12 0.261 16.189 3.717 62 2HG2 THR 12 2HG2 THR 12 -0.604 17.333 2.691 63 3HG2 THR 12 3HG2 THR 12 0.904 17.812 3.471 64 H GLY 13 H GLY 13 -1.665 15.565 2.430 65 1HA GLY 13 1HA GLY 13 -1.144 13.111 3.728 66 2HA GLY 13 2HA GLY 13 -2.657 13.998 3.781 67 H ALA 14 H ALA 14 -3.961 12.192 3.608 68 HA ALA 14 HA ALA 14 -3.613 10.209 1.596 69 1HB ALA 14 1HB ALA 14 -6.298 10.614 2.770 70 2HB ALA 14 2HB ALA 14 -4.984 10.248 3.889 71 3HB ALA 14 3HB ALA 14 -5.355 9.137 2.572 72 H CYS 15 H CYS 15 -4.684 9.912 -0.337 73 HA CYS 15 HA CYS 15 -5.734 12.337 -1.552 74 1HB CYS 15 1HB CYS 15 -5.279 9.650 -2.855 75 2HB CYS 15 2HB CYS 15 -5.493 11.201 -3.659 76 H THR 16 H THR 16 -7.795 12.641 -2.225 77 HA THR 16 HA THR 16 -9.715 10.472 -1.682 78 HB THR 16 HB THR 16 -10.574 13.331 -1.622 79 HG1 THR 16 HG1 THR 16 -9.933 13.517 0.511 80 1HG2 THR 16 1HG2 THR 16 -11.935 11.053 -1.186 81 2HG2 THR 16 2HG2 THR 16 -12.349 12.608 -0.462 82 3HG2 THR 16 3HG2 THR 16 -11.408 11.430 0.453 83 H GLY 17 H GLY 17 -10.197 9.648 -3.632 84 1HA GLY 17 1HA GLY 17 -10.980 9.517 -5.789 85 2HA GLY 17 2HA GLY 17 -11.789 11.049 -5.461 86 H CYS 18 H CYS 18 -8.333 10.225 -5.639 87 HA CYS 18 HA CYS 18 -8.087 12.144 -7.860 88 1HB CYS 18 1HB CYS 18 -6.094 11.727 -5.622 89 2HB CYS 18 2HB CYS 18 -5.937 12.867 -6.961 90 H GLY 19 H GLY 19 -7.101 11.403 -9.632 91 1HA GLY 19 1HA GLY 19 -6.182 8.673 -9.699 92 2HA GLY 19 2HA GLY 19 -6.252 9.789 -11.060 93 H ASN 20 H ASN 20 -4.629 11.250 -8.512 94 HA ASN 20 HA ASN 20 -2.037 10.091 -9.048 95 1HB ASN 20 1HB ASN 20 -2.540 12.988 -9.737 96 2HB ASN 20 2HB ASN 20 -1.015 12.123 -9.886 97 1HD2 ASN 20 1HD2 ASN 20 -0.920 10.366 -11.426 98 2HD2 ASN 20 2HD2 ASN 20 -1.896 10.436 -12.851 99 H CYS 21 H CYS 21 -0.653 10.365 -7.376 100 HA CYS 21 HA CYS 21 -1.451 12.246 -5.255 101 1HB CYS 21 1HB CYS 21 -0.378 9.434 -4.967 102 2HB CYS 21 2HB CYS 21 -0.508 10.576 -3.628 103 HA PRO 22 HA PRO 22 2.728 13.665 -5.686 104 1HB PRO 22 1HB PRO 22 2.812 15.393 -3.636 105 2HB PRO 22 2HB PRO 22 1.821 15.694 -5.068 106 1HG PRO 22 1HG PRO 22 1.007 14.745 -2.364 107 2HG PRO 22 2HG PRO 22 0.159 15.829 -3.478 108 1HD PRO 22 1HD PRO 22 -0.382 13.119 -3.130 109 2HD PRO 22 2HD PRO 22 -0.885 14.100 -4.518 110 H ASN 23 H ASN 23 1.751 12.920 -2.330 111 HA ASN 23 HA ASN 23 3.993 11.145 -2.003 112 1HB ASN 23 1HB ASN 23 4.138 12.990 0.220 113 2HB ASN 23 2HB ASN 23 5.418 12.453 -0.869 114 1HD2 ASN 23 1HD2 ASN 23 2.575 14.585 -0.922 115 2HD2 ASN 23 2HD2 ASN 23 3.351 15.876 -1.769 116 H ALA 24 H ALA 24 1.140 10.929 -1.888 117 HA ALA 24 HA ALA 24 0.353 10.776 0.874 118 1HB ALA 24 1HB ALA 24 -1.110 11.187 -1.250 119 2HB ALA 24 2HB ALA 24 -1.762 10.278 0.115 120 3HB ALA 24 3HB ALA 24 -1.166 9.426 -1.310 121 H VAL 25 H VAL 25 0.413 9.067 2.204 122 HA VAL 25 HA VAL 25 1.774 6.668 1.286 123 HB VAL 25 HB VAL 25 2.469 7.700 3.404 124 1HG1 VAL 25 1HG1 VAL 25 -0.164 8.144 3.869 125 2HG1 VAL 25 2HG1 VAL 25 1.094 8.217 5.104 126 3HG1 VAL 25 3HG1 VAL 25 0.133 6.750 4.909 127 1HG2 VAL 25 1HG2 VAL 25 2.571 5.683 4.726 128 2HG2 VAL 25 2HG2 VAL 25 2.746 5.272 3.020 129 3HG2 VAL 25 3HG2 VAL 25 1.209 4.995 3.842 130 H THR 26 H THR 26 -1.429 7.718 1.870 131 HA THR 26 HA THR 26 -2.431 5.061 1.283 132 HB THR 26 HB THR 26 -4.079 6.049 3.397 133 HG1 THR 26 HG1 THR 26 -2.633 6.924 4.629 134 1HG2 THR 26 1HG2 THR 26 -4.120 3.762 3.083 135 2HG2 THR 26 2HG2 THR 26 -3.152 3.944 4.546 136 3HG2 THR 26 3HG2 THR 26 -2.363 3.639 3.000 137 H CYS 27 H CYS 27 -4.223 5.120 0.051 138 HA CYS 27 HA CYS 27 -5.609 7.712 -0.217 139 1HB CYS 27 1HB CYS 27 -5.720 5.952 -2.576 140 2HB CYS 27 2HB CYS 27 -5.466 7.695 -2.487 141 H THR 28 H THR 28 -7.775 7.699 -0.158 142 HA THR 28 HA THR 28 -9.102 5.119 0.272 143 HB THR 28 HB THR 28 -10.129 7.933 0.739 144 HG1 THR 28 HG1 THR 28 -8.656 7.623 2.288 145 1HG2 THR 28 1HG2 THR 28 -12.118 6.935 0.828 146 2HG2 THR 28 2HG2 THR 28 -11.559 6.297 2.374 147 3HG2 THR 28 3HG2 THR 28 -11.415 5.321 0.912 148 H ASN 29 H ASN 29 -9.436 4.344 -1.780 149 HA ASN 29 HA ASN 29 -10.624 4.034 -3.655 150 1HB ASN 29 1HB ASN 29 -11.686 6.852 -3.500 151 2HB ASN 29 2HB ASN 29 -12.390 5.462 -4.329 152 1HD2 ASN 29 1HD2 ASN 29 -13.326 3.788 -3.050 153 2HD2 ASN 29 2HD2 ASN 29 -13.952 4.140 -1.479 154 H SER 30 H SER 30 -10.979 5.820 -5.719 155 HA SER 30 HA SER 30 -9.916 7.119 -7.313 156 1HB SER 30 1HB SER 30 -7.335 7.139 -5.799 157 2HB SER 30 2HB SER 30 -8.054 8.401 -6.792 158 HG SER 30 HG SER 30 -9.742 8.247 -4.934 159 H GLN 31 H GLN 31 -7.401 6.971 -8.356 160 HA GLN 31 HA GLN 31 -6.784 4.121 -8.628 161 1HB GLN 31 1HB GLN 31 -6.659 4.463 -11.138 162 2HB GLN 31 2HB GLN 31 -8.278 4.420 -10.439 163 1HG GLN 31 1HG GLN 31 -8.137 6.964 -10.393 164 2HG GLN 31 2HG GLN 31 -6.740 6.786 -11.453 165 1HE2 GLN 31 1HE2 GLN 31 -8.587 8.192 -12.555 166 2HE2 GLN 31 2HE2 GLN 31 -9.537 7.307 -13.695 167 H HIS 32 H HIS 32 -5.006 5.130 -7.255 168 HA HIS 32 HA HIS 32 -2.652 5.261 -8.757 169 1HB HIS 32 1HB HIS 32 -3.773 7.586 -9.170 170 2HB HIS 32 2HB HIS 32 -3.183 7.957 -7.549 171 HD1 HIS 32 HD1 HIS 32 -2.150 7.863 -11.039 172 HD2 HIS 32 HD2 HIS 32 -0.274 7.694 -7.334 173 HE1 HIS 32 HE1 HIS 32 0.272 8.369 -11.488 174 HE2 HIS 32 HE2 HIS 32 1.373 8.337 -9.222 175 H CYS 33 H CYS 33 -3.281 3.752 -6.659 176 HA CYS 33 HA CYS 33 -1.654 4.863 -4.468 177 1HB CYS 33 1HB CYS 33 -4.305 4.208 -4.273 178 2HB CYS 33 2HB CYS 33 -3.529 2.712 -3.750 179 H VAL 34 H VAL 34 -0.375 3.609 -6.481 180 HA VAL 34 HA VAL 34 -0.114 0.786 -6.065 181 HB VAL 34 HB VAL 34 0.310 1.867 -8.258 182 1HG1 VAL 34 1HG1 VAL 34 1.419 3.885 -7.569 183 2HG1 VAL 34 2HG1 VAL 34 2.517 2.966 -8.598 184 3HG1 VAL 34 3HG1 VAL 34 2.741 2.967 -6.847 185 1HG2 VAL 34 1HG2 VAL 34 2.769 0.462 -7.231 186 2HG2 VAL 34 2HG2 VAL 34 2.133 0.466 -8.876 187 3HG2 VAL 34 3HG2 VAL 34 1.253 -0.365 -7.594 188 H LYS 35 H LYS 35 1.594 3.641 -4.961 189 HA LYS 35 HA LYS 35 3.528 1.920 -3.576 190 1HB LYS 35 1HB LYS 35 5.070 3.686 -3.627 191 2HB LYS 35 2HB LYS 35 4.299 3.730 -5.202 192 1HG LYS 35 1HG LYS 35 3.871 5.872 -4.871 193 2HG LYS 35 2HG LYS 35 2.761 5.409 -3.582 194 1HD LYS 35 1HD LYS 35 4.084 6.442 -2.124 195 2HD LYS 35 2HD LYS 35 5.351 5.270 -2.486 196 1HE LYS 35 1HE LYS 35 5.395 7.098 -4.604 197 2HE LYS 35 2HE LYS 35 5.196 8.071 -3.148 198 1HZ LYS 35 1HZ LYS 35 7.553 7.464 -3.933 199 2HZ LYS 35 2HZ LYS 35 7.239 5.949 -3.249 200 3HZ LYS 35 3HZ LYS 35 7.192 7.338 -2.285 201 H ALA 36 H ALA 36 0.908 2.209 -2.518 202 HA ALA 36 HA ALA 36 1.408 3.900 -0.151 203 1HB ALA 36 1HB ALA 36 -0.577 4.566 -1.366 204 2HB ALA 36 2HB ALA 36 -1.027 3.881 0.195 205 3HB ALA 36 3HB ALA 36 -1.212 2.924 -1.274 206 H ASN 37 H ASN 37 0.915 3.086 1.922 207 HA ASN 37 HA ASN 37 1.695 0.428 2.380 208 1HB ASN 37 1HB ASN 37 0.554 2.615 4.064 209 2HB ASN 37 2HB ASN 37 0.588 0.982 4.722 210 1HD2 ASN 37 1HD2 ASN 37 1.997 2.210 6.267 211 2HD2 ASN 37 2HD2 ASN 37 3.688 2.252 5.920 212 H THR 38 H THR 38 -1.465 1.942 2.124 213 HA THR 38 HA THR 38 -2.699 -0.625 1.673 214 HB THR 38 HB THR 38 -3.880 1.021 3.891 215 HG1 THR 38 HG1 THR 38 -2.579 0.163 5.318 216 1HG2 THR 38 1HG2 THR 38 -5.424 -0.554 3.881 217 2HG2 THR 38 2HG2 THR 38 -4.189 -1.740 4.301 218 3HG2 THR 38 3HG2 THR 38 -4.571 -1.427 2.609 219 H CYS 39 H CYS 39 -4.674 -0.471 0.604 220 HA CYS 39 HA CYS 39 -5.750 2.207 0.129 221 1HB CYS 39 1HB CYS 39 -6.002 1.223 -2.372 222 2HB CYS 39 2HB CYS 39 -4.657 2.241 -1.861 223 H THR 40 H THR 40 -7.900 2.230 -0.714 224 HA THR 40 HA THR 40 -9.386 -0.250 -0.138 225 HB THR 40 HB THR 40 -10.820 2.348 -0.195 226 HG1 THR 40 HG1 THR 40 -9.198 3.117 0.998 227 1HG2 THR 40 1HG2 THR 40 -11.821 0.115 0.461 228 2HG2 THR 40 2HG2 THR 40 -12.089 1.468 1.561 229 3HG2 THR 40 3HG2 THR 40 -10.873 0.249 1.942 230 H GLY 41 H GLY 41 -11.838 1.020 -1.307 231 1HA GLY 41 1HA GLY 41 -11.923 -0.068 -3.807 232 2HA GLY 41 2HA GLY 41 -12.867 1.335 -3.350 233 H SER 42 H SER 42 -9.727 0.354 -4.632 234 HA SER 42 HA SER 42 -9.784 2.701 -6.354 235 1HB SER 42 1HB SER 42 -7.248 2.029 -4.860 236 2HB SER 42 2HB SER 42 -7.677 3.537 -5.659 237 HG SER 42 HG SER 42 -8.014 2.863 -3.111 238 H THR 43 H THR 43 -6.956 2.129 -7.106 239 HA THR 43 HA THR 43 -7.130 -0.622 -8.029 240 HB THR 43 HB THR 43 -7.097 -0.197 -10.281 241 HG1 THR 43 HG1 THR 43 -5.995 1.374 -11.152 242 1HG2 THR 43 1HG2 THR 43 -8.695 2.013 -9.043 243 2HG2 THR 43 2HG2 THR 43 -9.250 0.498 -9.757 244 3HG2 THR 43 3HG2 THR 43 -8.619 1.781 -10.791 245 H ASP 44 H ASP 44 -4.847 0.236 -9.974 246 HA ASP 44 HA ASP 44 -2.601 -0.539 -9.549 247 1HB ASP 44 1HB ASP 44 -2.924 2.432 -9.154 248 2HB ASP 44 2HB ASP 44 -1.360 1.652 -9.369 249 H CYS 45 H CYS 45 -2.780 -1.818 -7.569 250 HA CYS 45 HA CYS 45 -1.483 -0.462 -5.300 251 1HB CYS 45 1HB CYS 45 -3.967 -2.163 -5.277 252 2HB CYS 45 2HB CYS 45 -2.925 -2.074 -3.850 253 H ASN 46 H ASN 46 0.496 -1.382 -5.759 254 HA ASN 46 HA ASN 46 0.630 -4.320 -5.765 255 1HB ASN 46 1HB ASN 46 1.616 -3.222 -7.734 256 2HB ASN 46 2HB ASN 46 2.694 -2.302 -6.680 257 1HD2 ASN 46 1HD2 ASN 46 4.652 -3.087 -6.504 258 2HD2 ASN 46 2HD2 ASN 46 5.113 -4.742 -6.687 259 H THR 47 H THR 47 1.971 -1.418 -4.265 260 HA THR 47 HA THR 47 3.713 -2.886 -2.519 261 HB THR 47 HB THR 47 4.136 -0.726 -1.449 262 HG1 THR 47 HG1 THR 47 2.019 0.176 -3.100 263 1HG2 THR 47 1HG2 THR 47 4.956 0.561 -3.340 264 2HG2 THR 47 2HG2 THR 47 4.020 -0.449 -4.442 265 3HG2 THR 47 3HG2 THR 47 5.344 -1.149 -3.513 266 H ALA 48 H ALA 48 0.456 -1.635 -2.362 267 HA ALA 48 HA ALA 48 0.092 -1.725 0.425 268 1HB ALA 48 1HB ALA 48 -2.395 -2.211 -0.449 269 2HB ALA 48 2HB ALA 48 -1.670 -1.623 -1.945 270 3HB ALA 48 3HB ALA 48 -1.650 -0.614 -0.498 271 H GLN 49 H GLN 49 -0.733 -3.297 1.790 272 HA GLN 49 HA GLN 49 -0.165 -6.015 1.015 273 1HB GLN 49 1HB GLN 49 -1.385 -5.093 3.614 274 2HB GLN 49 2HB GLN 49 -0.489 -6.575 3.310 275 1HG GLN 49 1HG GLN 49 1.179 -5.418 4.271 276 2HG GLN 49 2HG GLN 49 1.385 -4.789 2.638 277 1HE2 GLN 49 1HE2 GLN 49 2.142 -2.799 3.103 278 2HE2 GLN 49 2HE2 GLN 49 1.257 -1.599 3.976 279 H THR 50 H THR 50 -2.771 -4.111 0.482 280 HA THR 50 HA THR 50 -4.453 -6.194 -0.315 281 HB THR 50 HB THR 50 -4.614 -6.337 2.232 282 HG1 THR 50 HG1 THR 50 -6.179 -7.180 0.701 283 1HG2 THR 50 1HG2 THR 50 -5.890 -4.850 3.454 284 2HG2 THR 50 2HG2 THR 50 -6.568 -4.092 2.014 285 3HG2 THR 50 3HG2 THR 50 -4.888 -3.794 2.459 286 H CYS 51 H CYS 51 -6.688 -5.347 -0.896 287 HA CYS 51 HA CYS 51 -7.257 -2.606 -0.964 288 1HB CYS 51 1HB CYS 51 -6.902 -2.450 -3.573 289 2HB CYS 51 2HB CYS 51 -5.590 -2.068 -2.457 290 H THR 52 H THR 52 -9.296 -2.223 -1.687 291 HA THR 52 HA THR 52 -10.760 -4.564 -2.685 292 HB THR 52 HB THR 52 -11.438 -3.439 -0.504 293 HG1 THR 52 HG1 THR 52 -13.478 -3.985 -0.883 294 1HG2 THR 52 1HG2 THR 52 -12.389 -1.307 -2.389 295 2HG2 THR 52 2HG2 THR 52 -11.289 -1.128 -1.024 296 3HG2 THR 52 3HG2 THR 52 -12.984 -1.520 -0.744 297 H ASN 53 H ASN 53 -12.279 -4.333 -4.380 298 HA ASN 53 HA ASN 53 -12.769 -3.729 -6.529 299 1HB ASN 53 1HB ASN 53 -13.084 -1.203 -4.935 300 2HB ASN 53 2HB ASN 53 -13.405 -1.214 -6.671 301 1HD2 ASN 53 1HD2 ASN 53 -15.224 -0.766 -4.445 302 2HD2 ASN 53 2HD2 ASN 53 -16.466 -1.959 -4.590 303 H SER 54 H SER 54 -9.897 -3.661 -5.820 304 HA SER 54 HA SER 54 -8.942 -1.560 -7.641 305 1HB SER 54 1HB SER 54 -7.639 -1.303 -5.768 306 2HB SER 54 2HB SER 54 -7.722 -3.013 -5.340 307 HG SER 54 HG SER 54 -6.110 -3.451 -6.724 308 H LYS 55 H LYS 55 -8.047 -2.064 -9.565 309 HA LYS 55 HA LYS 55 -8.091 -4.864 -10.369 310 1HB LYS 55 1HB LYS 55 -8.122 -2.248 -11.793 311 2HB LYS 55 2HB LYS 55 -7.469 -3.642 -12.646 312 1HG LYS 55 1HG LYS 55 -9.677 -4.795 -11.908 313 2HG LYS 55 2HG LYS 55 -10.249 -3.141 -11.686 314 1HD LYS 55 1HD LYS 55 -10.821 -3.952 -13.907 315 2HD LYS 55 2HD LYS 55 -9.653 -2.635 -14.013 316 1HE LYS 55 1HE LYS 55 -7.891 -4.093 -14.540 317 2HE LYS 55 2HE LYS 55 -8.792 -5.510 -14.002 318 1HZ LYS 55 1HZ LYS 55 -8.941 -4.062 -16.530 319 2HZ LYS 55 2HZ LYS 55 -10.389 -4.691 -15.924 320 3HZ LYS 55 3HZ LYS 55 -9.080 -5.720 -16.222 321 H ASP 56 H ASP 56 -5.945 -3.799 -8.621 322 HA ASP 56 HA ASP 56 -3.724 -4.825 -10.178 323 1HB ASP 56 1HB ASP 56 -3.888 -2.030 -9.145 324 2HB ASP 56 2HB ASP 56 -2.323 -2.846 -9.177 325 H CYS 57 H CYS 57 -5.371 -5.556 -7.785 326 HA CYS 57 HA CYS 57 -3.662 -5.402 -5.501 327 1HB CYS 57 1HB CYS 57 -6.094 -7.070 -6.145 328 2HB CYS 57 2HB CYS 57 -5.236 -7.199 -4.610 329 H PHE 58 H PHE 58 -1.837 -6.214 -7.123 330 HA PHE 58 HA PHE 58 -1.732 -9.028 -7.590 331 1HB PHE 58 1HB PHE 58 0.698 -7.262 -7.552 332 2HB PHE 58 2HB PHE 58 0.363 -8.656 -8.570 333 HD1 PHE 58 HD1 PHE 58 0.240 -5.130 -8.226 334 HD2 PHE 58 HD2 PHE 58 -1.358 -8.449 -10.345 335 HE1 PHE 58 HE1 PHE 58 -0.468 -3.629 -10.035 336 HE2 PHE 58 HE2 PHE 58 -2.074 -6.954 -12.155 337 HZ PHE 58 HZ PHE 58 -1.609 -4.565 -11.978 338 H GLU 59 H GLU 59 0.004 -6.878 -5.339 339 HA GLU 59 HA GLU 59 0.874 -9.223 -3.821 340 1HB GLU 59 1HB GLU 59 2.086 -6.757 -4.461 341 2HB GLU 59 2HB GLU 59 1.800 -6.725 -2.722 342 1HG GLU 59 1HG GLU 59 2.929 -9.236 -3.715 343 2HG GLU 59 2HG GLU 59 3.966 -7.827 -3.938 344 H ALA 60 H ALA 60 -1.865 -8.620 -3.698 345 HA ALA 60 HA ALA 60 -2.256 -7.324 -1.104 346 1HB ALA 60 1HB ALA 60 -4.703 -7.635 -1.674 347 2HB ALA 60 2HB ALA 60 -4.167 -8.188 -3.261 348 3HB ALA 60 3HB ALA 60 -3.791 -6.550 -2.723 349 H ASN 61 H ASN 61 -2.795 -8.392 0.709 350 HA ASN 61 HA ASN 61 -2.598 -11.267 0.713 351 1HB ASN 61 1HB ASN 61 -3.200 -9.394 3.012 352 2HB ASN 61 2HB ASN 61 -2.704 -11.080 3.137 353 1HD2 ASN 61 1HD2 ASN 61 -0.695 -11.205 1.291 354 2HD2 ASN 61 2HD2 ASN 61 0.618 -10.198 1.790 355 H THR 62 H THR 62 -5.122 -8.860 0.993 356 HA THR 62 HA THR 62 -7.094 -11.041 1.212 357 HB THR 62 HB THR 62 -7.351 -8.218 2.267 358 HG1 THR 62 HG1 THR 62 -5.954 -9.750 3.431 359 1HG2 THR 62 1HG2 THR 62 -9.333 -10.242 1.769 360 2HG2 THR 62 2HG2 THR 62 -9.532 -8.574 2.307 361 3HG2 THR 62 3HG2 THR 62 -9.234 -9.850 3.486 362 H CYS 63 H CYS 63 -6.722 -10.934 -1.203 363 HA CYS 63 HA CYS 63 -7.731 -8.711 -2.670 364 1HB CYS 63 1HB CYS 63 -6.138 -10.177 -3.727 365 2HB CYS 63 2HB CYS 63 -7.177 -11.578 -3.460 366 H THR 64 H THR 64 -9.800 -8.129 -2.338 367 HA THR 64 HA THR 64 -11.862 -10.179 -2.785 368 HB THR 64 HB THR 64 -13.144 -8.428 -1.141 369 HG1 THR 64 HG1 THR 64 -10.498 -8.660 -0.150 370 1HG2 THR 64 1HG2 THR 64 -13.472 -10.244 0.074 371 2HG2 THR 64 2HG2 THR 64 -11.764 -10.343 0.498 372 3HG2 THR 64 3HG2 THR 64 -12.346 -11.084 -0.993 373 H ASP 65 H ASP 65 -13.396 -9.652 -4.223 374 HA ASP 65 HA ASP 65 -14.514 -8.505 -5.838 375 1HB ASP 65 1HB ASP 65 -14.293 -6.595 -3.582 376 2HB ASP 65 2HB ASP 65 -14.728 -5.904 -5.148 377 H SER 66 H SER 66 -11.605 -8.727 -5.996 378 HA SER 66 HA SER 66 -11.135 -6.508 -7.862 379 1HB SER 66 1HB SER 66 -9.365 -7.448 -5.628 380 2HB SER 66 2HB SER 66 -8.647 -6.756 -7.089 381 HG SER 66 HG SER 66 -9.657 -5.463 -5.035 382 H THR 67 H THR 67 -8.959 -7.089 -9.118 383 HA THR 67 HA THR 67 -8.920 -9.937 -9.771 384 HB THR 67 HB THR 67 -10.434 -9.123 -11.381 385 HG1 THR 67 HG1 THR 67 -9.215 -9.282 -13.323 386 1HG2 THR 67 1HG2 THR 67 -10.191 -6.763 -11.175 387 2HG2 THR 67 2HG2 THR 67 -9.940 -7.214 -12.861 388 3HG2 THR 67 3HG2 THR 67 -8.557 -6.828 -11.836 389 H ASN 68 H ASN 68 -7.104 -10.423 -11.349 390 HA ASN 68 HA ASN 68 -4.896 -10.399 -11.903 391 1HB ASN 68 1HB ASN 68 -4.849 -7.494 -11.071 392 2HB ASN 68 2HB ASN 68 -3.736 -8.318 -12.167 393 1HD2 ASN 68 1HD2 ASN 68 -4.839 -6.072 -13.050 394 2HD2 ASN 68 2HD2 ASN 68 -6.054 -6.389 -14.236 395 H CYS 69 H CYS 69 -5.760 -11.122 -9.263 396 HA CYS 69 HA CYS 69 -3.597 -10.166 -7.537 397 1HB CYS 69 1HB CYS 69 -5.958 -11.943 -6.875 398 2HB CYS 69 2HB CYS 69 -4.806 -11.273 -5.718 399 H TYR 70 H TYR 70 -2.086 -11.384 -9.020 400 HA TYR 70 HA TYR 70 -2.123 -14.271 -8.659 401 1HB TYR 70 1HB TYR 70 -0.353 -14.365 -10.282 402 2HB TYR 70 2HB TYR 70 -1.592 -13.261 -10.880 403 HD1 TYR 70 HD1 TYR 70 -1.183 -10.760 -10.629 404 HD2 TYR 70 HD2 TYR 70 1.871 -13.665 -10.052 405 HE1 TYR 70 HE1 TYR 70 0.528 -9.022 -10.953 406 HE2 TYR 70 HE2 TYR 70 3.588 -11.934 -10.371 407 HH TYR 70 HH TYR 70 3.561 -9.229 -10.028 408 H LYS 71 H LYS 71 -1.840 -13.182 -6.248 409 HA LYS 71 HA LYS 71 0.436 -14.364 -5.200 410 1HB LYS 71 1HB LYS 71 1.107 -11.944 -6.408 411 2HB LYS 71 2HB LYS 71 1.004 -11.554 -4.692 412 1HG LYS 71 1HG LYS 71 2.424 -13.922 -4.736 413 2HG LYS 71 2HG LYS 71 3.021 -13.047 -6.148 414 1HD LYS 71 1HD LYS 71 4.084 -11.520 -4.893 415 2HD LYS 71 2HD LYS 71 2.741 -11.384 -3.756 416 1HE LYS 71 1HE LYS 71 4.554 -13.776 -3.772 417 2HE LYS 71 2HE LYS 71 4.970 -12.309 -2.886 418 1HZ LYS 71 1HZ LYS 71 2.506 -13.923 -2.499 419 2HZ LYS 71 2HZ LYS 71 2.905 -12.518 -1.647 420 3HZ LYS 71 3HZ LYS 71 3.849 -13.910 -1.469 421 H ALA 72 H ALA 72 -2.256 -14.279 -4.575 422 HA ALA 72 HA ALA 72 -2.238 -12.908 -1.964 423 1HB ALA 72 1HB ALA 72 -4.514 -12.394 -2.149 424 2HB ALA 72 2HB ALA 72 -4.750 -13.519 -3.487 425 3HB ALA 72 3HB ALA 72 -3.849 -12.024 -3.740 426 H THR 73 H THR 73 -3.665 -13.939 -0.331 427 HA THR 73 HA THR 73 -3.519 -16.868 -0.575 428 HB THR 73 HB THR 73 -2.154 -16.255 1.229 429 HG1 THR 73 HG1 THR 73 -4.658 -16.674 2.481 430 1HG2 THR 73 1HG2 THR 73 -4.300 -14.340 2.107 431 2HG2 THR 73 2HG2 THR 73 -2.699 -13.936 1.489 432 3HG2 THR 73 3HG2 THR 73 -2.865 -14.746 3.047 433 H ALA 74 H ALA 74 -5.586 -14.163 0.246 434 HA ALA 74 HA ALA 74 -7.835 -16.009 0.674 435 1HB ALA 74 1HB ALA 74 -8.911 -14.343 1.925 436 2HB ALA 74 2HB ALA 74 -7.872 -13.069 1.285 437 3HB ALA 74 3HB ALA 74 -7.221 -14.250 2.420 438 H CYS 75 H CYS 75 -8.516 -16.451 -1.381 439 HA CYS 75 HA CYS 75 -9.424 -14.145 -2.975 440 1HB CYS 75 1HB CYS 75 -7.498 -15.326 -3.998 441 2HB CYS 75 2HB CYS 75 -8.450 -16.810 -4.032 442 H THR 76 H THR 76 -11.535 -14.111 -2.339 443 HA THR 76 HA THR 76 -13.123 -16.485 -2.120 444 HB THR 76 HB THR 76 -14.322 -13.756 -2.396 445 HG1 THR 76 HG1 THR 76 -12.742 -14.682 -0.246 446 1HG2 THR 76 1HG2 THR 76 -15.728 -15.768 -1.941 447 2HG2 THR 76 2HG2 THR 76 -15.856 -14.479 -0.744 448 3HG2 THR 76 3HG2 THR 76 -14.897 -15.917 -0.393 449 H ASN 77 H ASN 77 -13.318 -13.676 -4.311 450 HA ASN 77 HA ASN 77 -13.921 -15.422 -6.544 451 1HB ASN 77 1HB ASN 77 -16.062 -14.491 -5.113 452 2HB ASN 77 2HB ASN 77 -15.889 -13.239 -6.346 453 1HD2 ASN 77 1HD2 ASN 77 -15.520 -16.773 -6.292 454 2HD2 ASN 77 2HD2 ASN 77 -16.562 -17.070 -7.637 455 H SER 78 H SER 78 -11.672 -14.103 -6.405 456 HA SER 78 HA SER 78 -12.040 -11.690 -8.058 457 1HB SER 78 1HB SER 78 -10.112 -12.322 -5.858 458 2HB SER 78 2HB SER 78 -9.597 -11.242 -7.160 459 HG SER 78 HG SER 78 -10.840 -10.471 -5.104 460 H SER 79 H SER 79 -10.332 -11.276 -9.649 461 HA SER 79 HA SER 79 -9.507 -13.767 -10.918 462 1HB SER 79 1HB SER 79 -10.160 -11.079 -11.823 463 2HB SER 79 2HB SER 79 -8.669 -11.680 -12.548 464 HG SER 79 HG SER 79 -11.272 -12.508 -12.910 465 H GLY 80 H GLY 80 -7.358 -14.144 -11.648 466 1HA GLY 80 1HA GLY 80 -5.035 -13.804 -11.679 467 2HA GLY 80 2HA GLY 80 -5.252 -12.417 -10.616 468 H CYS 81 H CYS 81 -6.905 -13.975 -8.721 469 HA CYS 81 HA CYS 81 -4.681 -15.316 -7.368 470 1HB CYS 81 1HB CYS 81 -6.265 -15.175 -5.359 471 2HB CYS 81 2HB CYS 81 -5.575 -13.667 -5.954 472 HA PRO 82 HA PRO 82 -6.029 -19.482 -7.508 473 1HB PRO 82 1HB PRO 82 -6.484 -19.314 -4.557 474 2HB PRO 82 2HB PRO 82 -5.598 -20.530 -5.493 475 1HG PRO 82 1HG PRO 82 -4.289 -18.655 -4.128 476 2HG PRO 82 2HG PRO 82 -3.727 -19.178 -5.726 477 1HD PRO 82 1HD PRO 82 -5.100 -16.664 -4.929 478 2HD PRO 82 2HD PRO 82 -3.909 -16.943 -6.213 479 H GLY 83 H GLY 83 -7.897 -20.692 -7.654 480 1HA GLY 83 1HA GLY 83 -10.159 -21.160 -6.852 481 2HA GLY 83 2HA GLY 83 -10.359 -19.430 -6.619 482 H HIS 84 H HIS 84 -8.958 -18.899 -9.204 483 HA HIS 84 HA HIS 84 -11.141 -19.693 -11.018 484 1HB HIS 84 1HB HIS 84 -11.295 -17.315 -10.455 485 2HB HIS 84 2HB HIS 84 -9.625 -17.074 -10.958 486 HD1 HIS 84 HD1 HIS 84 -9.348 -16.270 -13.279 487 HD2 HIS 84 HD2 HIS 84 -12.961 -18.253 -12.753 488 HE1 HIS 84 HE1 HIS 84 -10.557 -16.057 -15.473 489 HE2 HIS 84 HE2 HIS 84 -12.702 -17.341 -15.159 Start of MODEL 3 1 1H GLN 1 1H GLN 1 -11.547 19.521 -1.138 2 2H GLN 1 2H GLN 1 -10.776 19.928 -2.616 3 3H GLN 1 3H GLN 1 -11.415 21.163 -1.612 4 HA GLN 1 HA GLN 1 -9.154 21.213 -1.276 5 1HB GLN 1 1HB GLN 1 -10.350 19.517 0.925 6 2HB GLN 1 2HB GLN 1 -8.990 20.620 1.076 7 1HG GLN 1 1HG GLN 1 -11.738 21.528 0.277 8 2HG GLN 1 2HG GLN 1 -11.204 21.440 1.955 9 1HE2 GLN 1 1HE2 GLN 1 -11.857 23.634 -0.133 10 2HE2 GLN 1 2HE2 GLN 1 -10.576 24.770 0.092 11 H CYS 2 H CYS 2 -10.396 17.918 -1.223 12 HA CYS 2 HA CYS 2 -7.916 16.931 -2.307 13 1HB CYS 2 1HB CYS 2 -7.546 16.947 0.182 14 2HB CYS 2 2HB CYS 2 -8.868 15.793 0.326 15 H THR 3 H THR 3 -10.700 17.104 -3.110 16 HA THR 3 HA THR 3 -11.100 14.287 -3.759 17 HB THR 3 HB THR 3 -13.320 14.163 -3.040 18 HG1 THR 3 HG1 THR 3 -13.328 16.960 -2.596 19 1HG2 THR 3 1HG2 THR 3 -12.424 15.992 -0.874 20 2HG2 THR 3 2HG2 THR 3 -11.566 14.475 -1.142 21 3HG2 THR 3 3HG2 THR 3 -13.291 14.459 -0.772 22 H GLY 4 H GLY 4 -10.251 16.794 -5.137 23 1HA GLY 4 1HA GLY 4 -12.198 17.846 -6.813 24 2HA GLY 4 2HA GLY 4 -10.492 17.703 -7.233 25 H GLY 5 H GLY 5 -11.940 17.511 -9.342 26 1HA GLY 5 1HA GLY 5 -13.126 14.991 -9.889 27 2HA GLY 5 2HA GLY 5 -12.653 16.191 -11.083 28 H ALA 6 H ALA 6 -11.459 13.540 -9.082 29 HA ALA 6 HA ALA 6 -9.780 12.034 -9.385 30 1HB ALA 6 1HB ALA 6 -9.343 11.275 -11.607 31 2HB ALA 6 2HB ALA 6 -9.930 12.787 -12.297 32 3HB ALA 6 3HB ALA 6 -11.055 11.686 -11.504 33 H ASP 7 H ASP 7 -9.129 14.887 -8.904 34 HA ASP 7 HA ASP 7 -6.325 14.746 -9.749 35 1HB ASP 7 1HB ASP 7 -8.272 16.793 -10.497 36 2HB ASP 7 2HB ASP 7 -6.827 17.466 -9.738 37 H CYS 8 H CYS 8 -4.885 15.250 -8.203 38 HA CYS 8 HA CYS 8 -5.937 15.886 -5.559 39 1HB CYS 8 1HB CYS 8 -3.337 14.773 -6.575 40 2HB CYS 8 2HB CYS 8 -3.450 15.421 -4.937 41 H THR 9 H THR 9 -5.983 17.910 -4.881 42 HA THR 9 HA THR 9 -4.573 20.002 -6.233 43 HB THR 9 HB THR 9 -5.752 20.597 -3.595 44 HG1 THR 9 HG1 THR 9 -7.256 19.449 -5.691 45 1HG2 THR 9 1HG2 THR 9 -5.217 22.023 -5.903 46 2HG2 THR 9 2HG2 THR 9 -6.148 22.573 -4.509 47 3HG2 THR 9 3HG2 THR 9 -6.971 21.849 -5.891 48 H SER 10 H SER 10 -4.484 18.839 -2.859 49 HA SER 10 HA SER 10 -1.611 19.282 -2.790 50 1HB SER 10 1HB SER 10 -2.819 21.430 -2.073 51 2HB SER 10 2HB SER 10 -3.312 20.532 -0.637 52 HG SER 10 HG SER 10 -1.254 20.431 0.028 53 H CYS 11 H CYS 11 -3.270 16.941 -2.705 54 HA CYS 11 HA CYS 11 -3.399 16.034 0.023 55 1HB CYS 11 1HB CYS 11 -3.612 14.355 -2.478 56 2HB CYS 11 2HB CYS 11 -4.222 13.967 -0.873 57 H THR 12 H THR 12 -1.830 15.111 1.160 58 HA THR 12 HA THR 12 0.419 13.872 -0.270 59 HB THR 12 HB THR 12 1.057 16.125 0.561 60 HG1 THR 12 HG1 THR 12 2.550 14.299 0.489 61 1HG2 THR 12 1HG2 THR 12 0.702 16.862 2.620 62 2HG2 THR 12 2HG2 THR 12 1.321 15.375 3.338 63 3HG2 THR 12 3HG2 THR 12 -0.367 15.476 2.835 64 H GLY 13 H GLY 13 -1.699 13.937 2.500 65 1HA GLY 13 1HA GLY 13 -0.379 11.672 3.745 66 2HA GLY 13 2HA GLY 13 -1.787 12.523 4.359 67 H ALA 14 H ALA 14 -3.861 12.026 3.472 68 HA ALA 14 HA ALA 14 -3.962 9.348 2.243 69 1HB ALA 14 1HB ALA 14 -6.408 9.573 3.312 70 2HB ALA 14 2HB ALA 14 -5.508 10.599 4.429 71 3HB ALA 14 3HB ALA 14 -5.028 8.917 4.192 72 H CYS 15 H CYS 15 -4.858 9.181 0.293 73 HA CYS 15 HA CYS 15 -6.036 11.531 -0.929 74 1HB CYS 15 1HB CYS 15 -5.858 8.882 -2.314 75 2HB CYS 15 2HB CYS 15 -5.695 10.502 -2.982 76 H THR 16 H THR 16 -8.117 11.783 -1.572 77 HA THR 16 HA THR 16 -10.005 9.582 -1.186 78 HB THR 16 HB THR 16 -10.533 12.351 -0.102 79 HG1 THR 16 HG1 THR 16 -9.859 10.026 1.369 80 1HG2 THR 16 1HG2 THR 16 -11.987 9.739 0.190 81 2HG2 THR 16 2HG2 THR 16 -12.581 11.235 -0.531 82 3HG2 THR 16 3HG2 THR 16 -12.285 11.151 1.205 83 H GLY 17 H GLY 17 -10.745 9.344 -3.219 84 1HA GLY 17 1HA GLY 17 -11.810 9.839 -5.198 85 2HA GLY 17 2HA GLY 17 -12.401 11.303 -4.410 86 H CYS 18 H CYS 18 -9.331 10.003 -5.659 87 HA CYS 18 HA CYS 18 -8.981 12.390 -7.290 88 1HB CYS 18 1HB CYS 18 -7.859 13.182 -5.373 89 2HB CYS 18 2HB CYS 18 -7.154 11.602 -5.027 90 H GLY 19 H GLY 19 -6.675 9.939 -6.188 91 1HA GLY 19 1HA GLY 19 -6.272 7.913 -7.483 92 2HA GLY 19 2HA GLY 19 -6.626 8.848 -8.935 93 H ASN 20 H ASN 20 -5.116 10.948 -8.984 94 HA ASN 20 HA ASN 20 -2.420 9.875 -9.038 95 1HB ASN 20 1HB ASN 20 -1.899 12.110 -10.126 96 2HB ASN 20 2HB ASN 20 -3.024 11.075 -10.999 97 1HD2 ASN 20 1HD2 ASN 20 -5.054 11.764 -11.374 98 2HD2 ASN 20 2HD2 ASN 20 -5.661 13.306 -10.893 99 H CYS 21 H CYS 21 -1.799 9.766 -6.891 100 HA CYS 21 HA CYS 21 -1.735 12.292 -5.394 101 1HB CYS 21 1HB CYS 21 -2.132 9.514 -4.651 102 2HB CYS 21 2HB CYS 21 -0.846 10.261 -3.699 103 HA PRO 22 HA PRO 22 2.648 12.460 -5.700 104 1HB PRO 22 1HB PRO 22 3.302 13.829 -3.462 105 2HB PRO 22 2HB PRO 22 2.445 14.557 -4.819 106 1HG PRO 22 1HG PRO 22 1.434 13.767 -2.160 107 2HG PRO 22 2HG PRO 22 0.830 14.999 -3.276 108 1HD PRO 22 1HD PRO 22 -0.204 12.386 -2.866 109 2HD PRO 22 2HD PRO 22 -0.709 13.563 -4.093 110 H ASN 23 H ASN 23 2.575 12.237 -2.154 111 HA ASN 23 HA ASN 23 4.105 9.726 -2.374 112 1HB ASN 23 1HB ASN 23 4.526 11.676 -0.124 113 2HB ASN 23 2HB ASN 23 5.601 10.399 -0.702 114 1HD2 ASN 23 1HD2 ASN 23 4.109 13.440 -1.694 115 2HD2 ASN 23 2HD2 ASN 23 5.442 13.990 -2.648 116 H ALA 24 H ALA 24 1.171 10.551 -1.677 117 HA ALA 24 HA ALA 24 0.555 10.029 0.948 118 1HB ALA 24 1HB ALA 24 -1.146 10.688 -0.619 119 2HB ALA 24 2HB ALA 24 -1.618 9.161 0.131 120 3HB ALA 24 3HB ALA 24 -0.967 9.176 -1.509 121 H VAL 25 H VAL 25 0.493 8.303 2.265 122 HA VAL 25 HA VAL 25 1.737 5.852 1.350 123 HB VAL 25 HB VAL 25 0.614 5.863 4.074 124 1HG1 VAL 25 1HG1 VAL 25 2.048 4.109 3.677 125 2HG1 VAL 25 2HG1 VAL 25 3.122 5.267 4.463 126 3HG1 VAL 25 3HG1 VAL 25 3.151 5.087 2.709 127 1HG2 VAL 25 1HG2 VAL 25 1.146 8.153 4.143 128 2HG2 VAL 25 2HG2 VAL 25 2.633 7.920 3.221 129 3HG2 VAL 25 3HG2 VAL 25 2.525 7.335 4.883 130 H THR 26 H THR 26 -1.408 6.948 2.466 131 HA THR 26 HA THR 26 -2.525 4.337 1.677 132 HB THR 26 HB THR 26 -4.260 5.811 3.462 133 HG1 THR 26 HG1 THR 26 -1.639 5.255 4.379 134 1HG2 THR 26 1HG2 THR 26 -4.818 3.704 3.828 135 2HG2 THR 26 2HG2 THR 26 -3.341 3.550 4.780 136 3HG2 THR 26 3HG2 THR 26 -3.338 3.114 3.071 137 H CYS 27 H CYS 27 -4.092 4.342 0.180 138 HA CYS 27 HA CYS 27 -5.162 6.961 -0.639 139 1HB CYS 27 1HB CYS 27 -4.515 4.501 -2.262 140 2HB CYS 27 2HB CYS 27 -5.541 5.799 -2.881 141 H THR 28 H THR 28 -7.210 7.235 -0.106 142 HA THR 28 HA THR 28 -8.931 4.894 0.254 143 HB THR 28 HB THR 28 -9.424 7.789 0.991 144 HG1 THR 28 HG1 THR 28 -9.017 7.020 3.118 145 1HG2 THR 28 1HG2 THR 28 -11.516 7.199 1.377 146 2HG2 THR 28 2HG2 THR 28 -10.925 6.092 2.617 147 3HG2 THR 28 3HG2 THR 28 -11.173 5.519 0.967 148 H ASN 29 H ASN 29 -9.591 4.324 -1.762 149 HA ASN 29 HA ASN 29 -10.923 4.330 -3.575 150 1HB ASN 29 1HB ASN 29 -11.789 7.042 -2.558 151 2HB ASN 29 2HB ASN 29 -12.474 6.256 -3.981 152 1HD2 ASN 29 1HD2 ASN 29 -12.266 6.252 -0.524 153 2HD2 ASN 29 2HD2 ASN 29 -13.536 5.115 -0.243 154 H SER 30 H SER 30 -11.091 5.362 -5.697 155 HA SER 30 HA SER 30 -10.294 6.565 -7.491 156 1HB SER 30 1HB SER 30 -9.272 8.109 -5.334 157 2HB SER 30 2HB SER 30 -7.988 7.901 -6.524 158 HG SER 30 HG SER 30 -10.623 8.730 -7.161 159 H GLN 31 H GLN 31 -8.782 6.056 -9.058 160 HA GLN 31 HA GLN 31 -6.906 3.941 -8.293 161 1HB GLN 31 1HB GLN 31 -6.781 3.653 -10.847 162 2HB GLN 31 2HB GLN 31 -8.263 3.165 -10.026 163 1HG GLN 31 1HG GLN 31 -8.253 5.943 -10.946 164 2HG GLN 31 2HG GLN 31 -8.118 4.751 -12.236 165 1HE2 GLN 31 1HE2 GLN 31 -9.727 2.967 -12.158 166 2HE2 GLN 31 2HE2 GLN 31 -11.340 3.363 -11.682 167 H HIS 32 H HIS 32 -4.864 3.820 -9.595 168 HA HIS 32 HA HIS 32 -2.965 4.734 -10.540 169 1HB HIS 32 1HB HIS 32 -4.658 6.741 -11.167 170 2HB HIS 32 2HB HIS 32 -3.655 7.563 -9.967 171 HD1 HIS 32 HD1 HIS 32 -0.957 7.331 -10.503 172 HD2 HIS 32 HD2 HIS 32 -3.604 6.788 -13.658 173 HE1 HIS 32 HE1 HIS 32 0.410 7.648 -12.589 174 HE2 HIS 32 HE2 HIS 32 -1.188 7.196 -14.484 175 H CYS 33 H CYS 33 -3.297 3.884 -7.923 176 HA CYS 33 HA CYS 33 -1.464 5.687 -6.483 177 1HB CYS 33 1HB CYS 33 -3.959 4.357 -5.600 178 2HB CYS 33 2HB CYS 33 -2.616 4.318 -4.455 179 H VAL 34 H VAL 34 -0.370 3.866 -8.134 180 HA VAL 34 HA VAL 34 0.066 1.283 -7.230 181 HB VAL 34 HB VAL 34 0.814 2.085 -9.425 182 1HG1 VAL 34 1HG1 VAL 34 3.075 3.270 -9.470 183 2HG1 VAL 34 2HG1 VAL 34 2.766 3.665 -7.779 184 3HG1 VAL 34 3HG1 VAL 34 1.663 4.234 -9.032 185 1HG2 VAL 34 1HG2 VAL 34 3.211 1.079 -7.912 186 2HG2 VAL 34 2HG2 VAL 34 2.747 0.745 -9.581 187 3HG2 VAL 34 3HG2 VAL 34 1.809 0.063 -8.252 188 H LYS 35 H LYS 35 1.349 4.280 -6.031 189 HA LYS 35 HA LYS 35 3.320 2.899 -4.376 190 1HB LYS 35 1HB LYS 35 3.872 5.012 -5.639 191 2HB LYS 35 2HB LYS 35 2.777 5.864 -4.558 192 1HG LYS 35 1HG LYS 35 4.170 5.612 -2.734 193 2HG LYS 35 2HG LYS 35 5.017 4.234 -3.443 194 1HD LYS 35 1HD LYS 35 5.900 5.823 -5.188 195 2HD LYS 35 2HD LYS 35 5.245 7.136 -4.209 196 1HE LYS 35 1HE LYS 35 7.196 5.084 -3.180 197 2HE LYS 35 2HE LYS 35 7.674 6.651 -3.830 198 1HZ LYS 35 1HZ LYS 35 7.498 7.263 -1.690 199 2HZ LYS 35 2HZ LYS 35 6.454 5.997 -1.282 200 3HZ LYS 35 3HZ LYS 35 5.846 7.383 -2.036 201 H ALA 36 H ALA 36 0.479 2.532 -3.880 202 HA ALA 36 HA ALA 36 0.114 3.960 -1.341 203 1HB ALA 36 1HB ALA 36 -2.238 2.984 -1.518 204 2HB ALA 36 2HB ALA 36 -1.805 2.560 -3.174 205 3HB ALA 36 3HB ALA 36 -1.793 4.248 -2.663 206 H ASN 37 H ASN 37 -0.246 2.894 0.573 207 HA ASN 37 HA ASN 37 0.772 0.174 0.687 208 1HB ASN 37 1HB ASN 37 1.804 1.164 2.433 209 2HB ASN 37 2HB ASN 37 0.627 2.468 2.507 210 1HD2 ASN 37 1HD2 ASN 37 -0.038 2.581 4.523 211 2HD2 ASN 37 2HD2 ASN 37 -0.574 1.257 5.492 212 H THR 38 H THR 38 -2.214 1.912 1.008 213 HA THR 38 HA THR 38 -3.622 -0.625 1.362 214 HB THR 38 HB THR 38 -4.747 1.637 2.903 215 HG1 THR 38 HG1 THR 38 -2.441 0.239 3.779 216 1HG2 THR 38 1HG2 THR 38 -5.402 -0.946 2.764 217 2HG2 THR 38 2HG2 THR 38 -5.682 0.049 4.194 218 3HG2 THR 38 3HG2 THR 38 -4.270 -1.005 4.116 219 H CYS 39 H CYS 39 -5.272 -0.805 -0.011 220 HA CYS 39 HA CYS 39 -6.413 1.660 -1.156 221 1HB CYS 39 1HB CYS 39 -6.593 -0.661 -2.920 222 2HB CYS 39 2HB CYS 39 -6.031 0.974 -3.266 223 H THR 40 H THR 40 -8.256 1.725 0.076 224 HA THR 40 HA THR 40 -9.930 -0.646 0.324 225 HB THR 40 HB THR 40 -9.571 0.844 2.267 226 HG1 THR 40 HG1 THR 40 -11.455 0.134 2.803 227 1HG2 THR 40 1HG2 THR 40 -10.302 2.879 0.384 228 2HG2 THR 40 2HG2 THR 40 -9.615 3.036 2.004 229 3HG2 THR 40 3HG2 THR 40 -11.363 2.918 1.794 230 H GLY 41 H GLY 41 -9.771 0.025 -2.286 231 1HA GLY 41 1HA GLY 41 -11.867 -0.119 -3.670 232 2HA GLY 41 2HA GLY 41 -12.332 1.373 -2.873 233 H SER 42 H SER 42 -9.455 0.125 -4.552 234 HA SER 42 HA SER 42 -9.638 2.359 -6.391 235 1HB SER 42 1HB SER 42 -7.276 1.910 -4.537 236 2HB SER 42 2HB SER 42 -7.235 2.978 -5.937 237 HG SER 42 HG SER 42 -8.015 3.588 -3.527 238 H THR 43 H THR 43 -6.937 1.939 -7.379 239 HA THR 43 HA THR 43 -6.884 -0.903 -7.999 240 HB THR 43 HB THR 43 -7.131 -0.724 -10.266 241 HG1 THR 43 HG1 THR 43 -6.757 1.226 -11.420 242 1HG2 THR 43 1HG2 THR 43 -9.277 -0.141 -9.630 243 2HG2 THR 43 2HG2 THR 43 -8.847 1.095 -10.812 244 3HG2 THR 43 3HG2 THR 43 -8.793 1.467 -9.088 245 H ASP 44 H ASP 44 -4.890 -0.025 -10.247 246 HA ASP 44 HA ASP 44 -2.547 -0.490 -10.007 247 1HB ASP 44 1HB ASP 44 -3.461 2.033 -10.638 248 2HB ASP 44 2HB ASP 44 -2.253 2.356 -9.399 249 H CYS 45 H CYS 45 -2.388 -1.696 -8.010 250 HA CYS 45 HA CYS 45 -1.133 -0.122 -5.872 251 1HB CYS 45 1HB CYS 45 -3.400 -2.070 -5.651 252 2HB CYS 45 2HB CYS 45 -2.263 -1.896 -4.308 253 H ASN 46 H ASN 46 0.896 -0.837 -6.649 254 HA ASN 46 HA ASN 46 1.410 -3.703 -6.678 255 1HB ASN 46 1HB ASN 46 2.336 -2.367 -8.497 256 2HB ASN 46 2HB ASN 46 3.210 -1.361 -7.337 257 1HD2 ASN 46 1HD2 ASN 46 2.774 -4.842 -7.908 258 2HD2 ASN 46 2HD2 ASN 46 4.456 -5.234 -7.845 259 H THR 47 H THR 47 2.302 -0.831 -4.815 260 HA THR 47 HA THR 47 4.093 -2.349 -3.124 261 HB THR 47 HB THR 47 4.478 0.056 -3.758 262 HG1 THR 47 HG1 THR 47 4.355 -0.641 -1.017 263 1HG2 THR 47 1HG2 THR 47 3.350 1.820 -2.723 264 2HG2 THR 47 2HG2 THR 47 2.511 0.743 -1.606 265 3HG2 THR 47 3HG2 THR 47 2.074 0.755 -3.316 266 H ALA 48 H ALA 48 0.775 -1.333 -3.083 267 HA ALA 48 HA ALA 48 0.224 -1.387 -0.353 268 1HB ALA 48 1HB ALA 48 -1.276 -0.694 -2.323 269 2HB ALA 48 2HB ALA 48 -2.034 -1.450 -0.920 270 3HB ALA 48 3HB ALA 48 -1.738 -2.396 -2.380 271 H GLN 49 H GLN 49 0.000 -2.942 1.129 272 HA GLN 49 HA GLN 49 0.569 -5.687 0.369 273 1HB GLN 49 1HB GLN 49 0.023 -4.637 3.144 274 2HB GLN 49 2HB GLN 49 0.867 -6.113 2.699 275 1HG GLN 49 1HG GLN 49 2.814 -5.063 2.521 276 2HG GLN 49 2HG GLN 49 2.117 -3.763 1.555 277 1HE2 GLN 49 1HE2 GLN 49 1.624 -4.878 4.890 278 2HE2 GLN 49 2HE2 GLN 49 1.924 -3.344 5.628 279 H THR 50 H THR 50 -2.143 -3.991 0.232 280 HA THR 50 HA THR 50 -3.864 -6.187 0.161 281 HB THR 50 HB THR 50 -3.446 -5.873 2.692 282 HG1 THR 50 HG1 THR 50 -5.643 -6.376 3.103 283 1HG2 THR 50 1HG2 THR 50 -3.861 -3.370 2.585 284 2HG2 THR 50 2HG2 THR 50 -4.653 -4.271 3.877 285 3HG2 THR 50 3HG2 THR 50 -5.571 -3.780 2.454 286 H CYS 51 H CYS 51 -6.174 -5.473 -0.170 287 HA CYS 51 HA CYS 51 -6.782 -2.732 -0.515 288 1HB CYS 51 1HB CYS 51 -6.823 -2.630 -2.973 289 2HB CYS 51 2HB CYS 51 -5.190 -2.901 -2.357 290 H THR 52 H THR 52 -8.656 -2.626 -2.348 291 HA THR 52 HA THR 52 -10.395 -4.919 -2.327 292 HB THR 52 HB THR 52 -10.632 -2.934 -0.273 293 HG1 THR 52 HG1 THR 52 -12.059 -4.407 0.526 294 1HG2 THR 52 1HG2 THR 52 -12.098 -1.719 -1.864 295 2HG2 THR 52 2HG2 THR 52 -12.924 -2.283 -0.411 296 3HG2 THR 52 3HG2 THR 52 -13.130 -3.148 -1.934 297 H ASN 53 H ASN 53 -11.550 -4.934 -4.166 298 HA ASN 53 HA ASN 53 -12.455 -4.276 -6.148 299 1HB ASN 53 1HB ASN 53 -12.520 -1.465 -5.041 300 2HB ASN 53 2HB ASN 53 -13.557 -2.162 -6.289 301 1HD2 ASN 53 1HD2 ASN 53 -14.092 -0.888 -3.635 302 2HD2 ASN 53 2HD2 ASN 53 -15.106 -2.016 -2.807 303 H SER 54 H SER 54 -9.542 -4.149 -5.625 304 HA SER 54 HA SER 54 -8.662 -1.997 -7.401 305 1HB SER 54 1HB SER 54 -7.487 -3.457 -5.213 306 2HB SER 54 2HB SER 54 -6.457 -3.599 -6.642 307 HG SER 54 HG SER 54 -5.879 -1.614 -6.326 308 H LYS 55 H LYS 55 -6.609 -2.914 -8.790 309 HA LYS 55 HA LYS 55 -7.289 -5.459 -10.035 310 1HB LYS 55 1HB LYS 55 -6.851 -3.324 -12.019 311 2HB LYS 55 2HB LYS 55 -7.946 -4.696 -12.064 312 1HG LYS 55 1HG LYS 55 -9.601 -3.548 -10.846 313 2HG LYS 55 2HG LYS 55 -8.472 -2.282 -10.357 314 1HD LYS 55 1HD LYS 55 -9.439 -2.810 -13.167 315 2HD LYS 55 2HD LYS 55 -9.969 -1.493 -12.117 316 1HE LYS 55 1HE LYS 55 -8.318 -0.258 -12.949 317 2HE LYS 55 2HE LYS 55 -7.177 -1.341 -12.153 318 1HZ LYS 55 1HZ LYS 55 -8.287 -1.967 -14.818 319 2HZ LYS 55 2HZ LYS 55 -6.890 -2.579 -14.088 320 3HZ LYS 55 3HZ LYS 55 -6.922 -0.982 -14.644 321 H ASP 56 H ASP 56 -5.001 -4.038 -8.562 322 HA ASP 56 HA ASP 56 -2.922 -5.099 -10.285 323 1HB ASP 56 1HB ASP 56 -3.334 -2.235 -9.826 324 2HB ASP 56 2HB ASP 56 -1.691 -2.782 -9.481 325 H CYS 57 H CYS 57 -4.124 -5.779 -7.689 326 HA CYS 57 HA CYS 57 -2.085 -5.172 -5.735 327 1HB CYS 57 1HB CYS 57 -4.792 -6.223 -5.711 328 2HB CYS 57 2HB CYS 57 -3.718 -7.168 -4.674 329 H PHE 58 H PHE 58 -0.321 -6.129 -6.937 330 HA PHE 58 HA PHE 58 -0.265 -8.980 -7.335 331 1HB PHE 58 1HB PHE 58 2.086 -7.084 -7.420 332 2HB PHE 58 2HB PHE 58 1.947 -8.659 -8.194 333 HD1 PHE 58 HD1 PHE 58 0.929 -8.920 -10.266 334 HD2 PHE 58 HD2 PHE 58 0.855 -5.176 -8.255 335 HE1 PHE 58 HE1 PHE 58 0.197 -7.827 -12.337 336 HE2 PHE 58 HE2 PHE 58 0.118 -4.075 -10.320 337 HZ PHE 58 HZ PHE 58 -0.192 -5.415 -12.336 338 H GLU 59 H GLU 59 1.314 -6.691 -5.118 339 HA GLU 59 HA GLU 59 2.237 -8.961 -3.503 340 1HB GLU 59 1HB GLU 59 3.886 -7.225 -4.271 341 2HB GLU 59 2HB GLU 59 3.046 -6.062 -3.248 342 1HG GLU 59 1HG GLU 59 4.468 -6.661 -1.654 343 2HG GLU 59 2HG GLU 59 3.531 -8.150 -1.533 344 H ALA 60 H ALA 60 -0.480 -8.419 -3.357 345 HA ALA 60 HA ALA 60 -0.784 -7.027 -0.783 346 1HB ALA 60 1HB ALA 60 -2.305 -6.012 -2.162 347 2HB ALA 60 2HB ALA 60 -3.305 -7.287 -1.465 348 3HB ALA 60 3HB ALA 60 -2.624 -7.483 -3.081 349 H ASN 61 H ASN 61 -2.161 -7.969 0.829 350 HA ASN 61 HA ASN 61 -1.951 -10.890 0.848 351 1HB ASN 61 1HB ASN 61 -2.123 -8.806 2.998 352 2HB ASN 61 2HB ASN 61 -2.546 -10.478 3.354 353 1HD2 ASN 61 1HD2 ASN 61 -0.930 -11.376 4.400 354 2HD2 ASN 61 2HD2 ASN 61 0.744 -11.249 3.994 355 H THR 62 H THR 62 -4.298 -8.295 0.989 356 HA THR 62 HA THR 62 -6.425 -10.315 0.841 357 HB THR 62 HB THR 62 -7.044 -7.841 2.360 358 HG1 THR 62 HG1 THR 62 -5.143 -8.372 3.362 359 1HG2 THR 62 1HG2 THR 62 -8.125 -9.663 3.841 360 2HG2 THR 62 2HG2 THR 62 -7.881 -10.701 2.435 361 3HG2 THR 62 3HG2 THR 62 -8.864 -9.243 2.296 362 H CYS 63 H CYS 63 -7.798 -9.970 -0.791 363 HA CYS 63 HA CYS 63 -8.405 -7.272 -1.668 364 1HB CYS 63 1HB CYS 63 -7.874 -7.880 -4.070 365 2HB CYS 63 2HB CYS 63 -6.480 -7.613 -3.021 366 H THR 64 H THR 64 -10.553 -7.525 -1.306 367 HA THR 64 HA THR 64 -11.922 -9.865 -2.392 368 HB THR 64 HB THR 64 -13.900 -8.429 -1.238 369 HG1 THR 64 HG1 THR 64 -13.091 -7.408 0.579 370 1HG2 THR 64 1HG2 THR 64 -12.795 -10.775 -0.676 371 2HG2 THR 64 2HG2 THR 64 -13.927 -9.970 0.411 372 3HG2 THR 64 3HG2 THR 64 -12.191 -9.856 0.703 373 H ASP 65 H ASP 65 -13.118 -9.818 -4.194 374 HA ASP 65 HA ASP 65 -14.108 -9.073 -6.101 375 1HB ASP 65 1HB ASP 65 -15.566 -7.931 -4.363 376 2HB ASP 65 2HB ASP 65 -14.598 -6.478 -4.632 377 H SER 66 H SER 66 -11.363 -8.854 -6.012 378 HA SER 66 HA SER 66 -10.924 -6.455 -7.654 379 1HB SER 66 1HB SER 66 -8.662 -7.478 -6.001 380 2HB SER 66 2HB SER 66 -9.016 -5.830 -6.532 381 HG SER 66 HG SER 66 -9.353 -6.163 -4.268 382 H THR 67 H THR 67 -9.219 -6.654 -9.222 383 HA THR 67 HA THR 67 -8.900 -9.400 -10.142 384 HB THR 67 HB THR 67 -9.379 -8.542 -12.129 385 HG1 THR 67 HG1 THR 67 -7.260 -6.696 -11.879 386 1HG2 THR 67 1HG2 THR 67 -9.200 -5.789 -10.985 387 2HG2 THR 67 2HG2 THR 67 -10.638 -6.809 -11.013 388 3HG2 THR 67 3HG2 THR 67 -9.930 -6.243 -12.526 389 H ASN 68 H ASN 68 -6.873 -10.129 -10.963 390 HA ASN 68 HA ASN 68 -4.632 -10.503 -10.791 391 1HB ASN 68 1HB ASN 68 -4.280 -8.561 -12.099 392 2HB ASN 68 2HB ASN 68 -4.709 -7.488 -10.764 393 1HD2 ASN 68 1HD2 ASN 68 -3.187 -6.948 -9.266 394 2HD2 ASN 68 2HD2 ASN 68 -1.516 -7.353 -9.417 395 H CYS 69 H CYS 69 -4.646 -11.616 -8.852 396 HA CYS 69 HA CYS 69 -3.526 -10.152 -6.582 397 1HB CYS 69 1HB CYS 69 -5.982 -11.893 -6.538 398 2HB CYS 69 2HB CYS 69 -4.989 -11.681 -5.095 399 H TYR 70 H TYR 70 -1.535 -11.076 -7.065 400 HA TYR 70 HA TYR 70 -1.230 -13.907 -7.379 401 1HB TYR 70 1HB TYR 70 0.753 -11.646 -7.113 402 2HB TYR 70 2HB TYR 70 1.235 -13.334 -7.308 403 HD1 TYR 70 HD1 TYR 70 1.460 -10.646 -9.108 404 HD2 TYR 70 HD2 TYR 70 -0.800 -14.249 -9.277 405 HE1 TYR 70 HE1 TYR 70 1.275 -10.411 -11.548 406 HE2 TYR 70 HE2 TYR 70 -0.989 -14.021 -11.717 407 HH TYR 70 HH TYR 70 0.859 -12.314 -13.557 408 H LYS 71 H LYS 71 -1.978 -14.874 -5.538 409 HA LYS 71 HA LYS 71 -1.662 -15.954 -3.552 410 1HB LYS 71 1HB LYS 71 0.875 -15.299 -4.158 411 2HB LYS 71 2HB LYS 71 0.667 -14.321 -2.706 412 1HG LYS 71 1HG LYS 71 1.638 -16.477 -2.169 413 2HG LYS 71 2HG LYS 71 0.036 -16.316 -1.447 414 1HD LYS 71 1HD LYS 71 0.426 -18.544 -2.449 415 2HD LYS 71 2HD LYS 71 -0.931 -17.691 -3.184 416 1HE LYS 71 1HE LYS 71 0.482 -17.032 -5.058 417 2HE LYS 71 2HE LYS 71 1.863 -17.835 -4.313 418 1HZ LYS 71 1HZ LYS 71 -0.495 -19.484 -4.695 419 2HZ LYS 71 2HZ LYS 71 1.137 -19.854 -4.939 420 3HZ LYS 71 3HZ LYS 71 0.283 -18.988 -6.114 421 H ALA 72 H ALA 72 -3.621 -14.842 -2.991 422 HA ALA 72 HA ALA 72 -3.189 -12.843 -0.871 423 1HB ALA 72 1HB ALA 72 -4.382 -12.234 -3.223 424 2HB ALA 72 2HB ALA 72 -4.727 -11.421 -1.697 425 3HB ALA 72 3HB ALA 72 -5.778 -12.720 -2.259 426 H THR 73 H THR 73 -4.954 -12.776 0.738 427 HA THR 73 HA THR 73 -5.738 -15.477 1.445 428 HB THR 73 HB THR 73 -4.756 -13.984 3.144 429 HG1 THR 73 HG1 THR 73 -6.420 -15.625 3.642 430 1HG2 THR 73 1HG2 THR 73 -7.133 -12.434 3.679 431 2HG2 THR 73 2HG2 THR 73 -6.415 -12.028 2.120 432 3HG2 THR 73 3HG2 THR 73 -5.446 -11.928 3.590 433 H ALA 74 H ALA 74 -7.214 -12.502 0.360 434 HA ALA 74 HA ALA 74 -9.882 -13.700 0.636 435 1HB ALA 74 1HB ALA 74 -10.411 -11.187 -0.157 436 2HB ALA 74 2HB ALA 74 -8.859 -10.933 0.642 437 3HB ALA 74 3HB ALA 74 -10.202 -11.652 1.531 438 H CYS 75 H CYS 75 -9.055 -15.095 -1.237 439 HA CYS 75 HA CYS 75 -9.160 -13.762 -3.825 440 1HB CYS 75 1HB CYS 75 -8.770 -16.693 -3.172 441 2HB CYS 75 2HB CYS 75 -8.554 -15.950 -4.754 442 H THR 76 H THR 76 -11.437 -13.134 -3.529 443 HA THR 76 HA THR 76 -13.314 -15.369 -3.908 444 HB THR 76 HB THR 76 -13.988 -14.121 -2.021 445 HG1 THR 76 HG1 THR 76 -15.954 -13.293 -2.679 446 1HG2 THR 76 1HG2 THR 76 -13.509 -11.649 -3.654 447 2HG2 THR 76 2HG2 THR 76 -12.701 -12.137 -2.166 448 3HG2 THR 76 3HG2 THR 76 -14.399 -11.662 -2.132 449 H ASN 77 H ASN 77 -13.467 -15.738 -6.045 450 HA ASN 77 HA ASN 77 -13.848 -15.415 -8.268 451 1HB ASN 77 1HB ASN 77 -15.616 -13.393 -6.937 452 2HB ASN 77 2HB ASN 77 -15.504 -13.423 -8.699 453 1HD2 ASN 77 1HD2 ASN 77 -16.113 -15.353 -9.798 454 2HD2 ASN 77 2HD2 ASN 77 -17.246 -16.444 -9.084 455 H SER 78 H SER 78 -11.489 -14.199 -7.198 456 HA SER 78 HA SER 78 -11.192 -11.598 -8.407 457 1HB SER 78 1HB SER 78 -9.997 -12.187 -6.333 458 2HB SER 78 2HB SER 78 -9.124 -13.452 -7.206 459 HG SER 78 HG SER 78 -8.200 -11.824 -8.501 460 H SER 79 H SER 79 -9.451 -11.149 -9.989 461 HA SER 79 HA SER 79 -9.667 -12.960 -12.209 462 1HB SER 79 1HB SER 79 -9.277 -10.227 -11.920 463 2HB SER 79 2HB SER 79 -7.761 -10.813 -12.599 464 HG SER 79 HG SER 79 -9.860 -10.294 -13.953 465 H GLY 80 H GLY 80 -7.029 -11.865 -10.096 466 1HA GLY 80 1HA GLY 80 -5.244 -13.778 -11.433 467 2HA GLY 80 2HA GLY 80 -4.730 -12.466 -10.383 468 H CYS 81 H CYS 81 -6.992 -13.344 -8.493 469 HA CYS 81 HA CYS 81 -5.348 -15.134 -6.937 470 1HB CYS 81 1HB CYS 81 -7.404 -13.250 -6.409 471 2HB CYS 81 2HB CYS 81 -7.980 -14.809 -5.832 472 HA PRO 82 HA PRO 82 -6.681 -19.179 -8.099 473 1HB PRO 82 1HB PRO 82 -7.605 -19.277 -5.248 474 2HB PRO 82 2HB PRO 82 -6.725 -20.495 -6.186 475 1HG PRO 82 1HG PRO 82 -5.490 -18.831 -4.446 476 2HG PRO 82 2HG PRO 82 -4.705 -19.444 -5.910 477 1HD PRO 82 1HD PRO 82 -5.566 -16.726 -5.280 478 2HD PRO 82 2HD PRO 82 -4.518 -17.292 -6.592 479 H GLY 83 H GLY 83 -8.400 -18.580 -9.469 480 1HA GLY 83 1HA GLY 83 -11.056 -18.785 -8.199 481 2HA GLY 83 2HA GLY 83 -10.734 -17.575 -9.432 482 H HIS 84 H HIS 84 -9.917 -21.031 -9.170 483 HA HIS 84 HA HIS 84 -10.253 -21.600 -11.879 484 1HB HIS 84 1HB HIS 84 -10.770 -23.624 -9.708 485 2HB HIS 84 2HB HIS 84 -10.076 -23.886 -11.305 486 HD1 HIS 84 HD1 HIS 84 -7.638 -22.561 -11.600 487 HD2 HIS 84 HD2 HIS 84 -8.903 -23.521 -7.761 488 HE1 HIS 84 HE1 HIS 84 -5.570 -22.483 -10.172 489 HE2 HIS 84 HE2 HIS 84 -6.364 -23.040 -7.846 Start of MODEL 4 1 1H GLN 1 1H GLN 1 -7.195 21.115 -1.881 2 2H GLN 1 2H GLN 1 -7.231 22.491 -2.906 3 3H GLN 1 3H GLN 1 -6.058 21.264 -3.154 4 HA GLN 1 HA GLN 1 -8.945 20.766 -3.314 5 1HB GLN 1 1HB GLN 1 -8.563 20.942 -5.803 6 2HB GLN 1 2HB GLN 1 -8.513 22.468 -4.930 7 1HG GLN 1 1HG GLN 1 -5.921 21.128 -5.235 8 2HG GLN 1 2HG GLN 1 -6.671 21.667 -6.737 9 1HE2 GLN 1 1HE2 GLN 1 -4.288 22.716 -5.791 10 2HE2 GLN 1 2HE2 GLN 1 -4.536 24.369 -5.352 11 H CYS 2 H CYS 2 -8.486 18.727 -2.348 12 HA CYS 2 HA CYS 2 -7.091 16.876 -4.163 13 1HB CYS 2 1HB CYS 2 -6.297 15.602 -2.243 14 2HB CYS 2 2HB CYS 2 -5.745 17.270 -2.130 15 H THR 3 H THR 3 -9.842 17.475 -4.247 16 HA THR 3 HA THR 3 -10.917 14.820 -3.707 17 HB THR 3 HB THR 3 -11.655 15.892 -1.736 18 HG1 THR 3 HG1 THR 3 -13.699 15.476 -1.994 19 1HG2 THR 3 1HG2 THR 3 -12.743 18.038 -1.631 20 2HG2 THR 3 2HG2 THR 3 -12.587 18.234 -3.377 21 3HG2 THR 3 3HG2 THR 3 -11.146 18.209 -2.360 22 H GLY 4 H GLY 4 -10.348 15.252 -6.144 23 1HA GLY 4 1HA GLY 4 -12.900 15.958 -7.427 24 2HA GLY 4 2HA GLY 4 -11.409 16.684 -8.024 25 H GLY 5 H GLY 5 -11.280 15.782 -10.016 26 1HA GLY 5 1HA GLY 5 -11.862 13.027 -10.518 27 2HA GLY 5 2HA GLY 5 -11.132 14.158 -11.647 28 H ALA 6 H ALA 6 -9.260 13.383 -12.354 29 HA ALA 6 HA ALA 6 -7.677 11.606 -10.703 30 1HB ALA 6 1HB ALA 6 -8.142 11.629 -13.348 31 2HB ALA 6 2HB ALA 6 -6.718 10.888 -12.619 32 3HB ALA 6 3HB ALA 6 -6.614 12.509 -13.304 33 H ASP 7 H ASP 7 -7.626 13.802 -9.306 34 HA ASP 7 HA ASP 7 -4.884 14.666 -9.461 35 1HB ASP 7 1HB ASP 7 -5.542 17.119 -9.392 36 2HB ASP 7 2HB ASP 7 -5.725 16.314 -10.953 37 H CYS 8 H CYS 8 -4.088 15.092 -7.479 38 HA CYS 8 HA CYS 8 -5.908 15.795 -5.308 39 1HB CYS 8 1HB CYS 8 -4.767 13.166 -5.672 40 2HB CYS 8 2HB CYS 8 -4.180 13.885 -4.171 41 H THR 9 H THR 9 -4.496 17.724 -6.088 42 HA THR 9 HA THR 9 -1.809 17.751 -5.027 43 HB THR 9 HB THR 9 -3.259 20.227 -5.890 44 HG1 THR 9 HG1 THR 9 -3.793 18.896 -7.546 45 1HG2 THR 9 1HG2 THR 9 -0.971 20.452 -7.107 46 2HG2 THR 9 2HG2 THR 9 -0.447 19.255 -5.922 47 3HG2 THR 9 3HG2 THR 9 -1.102 20.801 -5.383 48 H SER 10 H SER 10 -1.219 19.748 -3.643 49 HA SER 10 HA SER 10 -1.412 20.961 -1.723 50 1HB SER 10 1HB SER 10 -3.428 21.889 -1.148 51 2HB SER 10 2HB SER 10 -3.854 21.312 -2.758 52 HG SER 10 HG SER 10 -4.973 19.667 -1.893 53 H CYS 11 H CYS 11 -3.669 18.191 -1.506 54 HA CYS 11 HA CYS 11 -2.896 17.633 1.196 55 1HB CYS 11 1HB CYS 11 -4.554 16.072 -0.790 56 2HB CYS 11 2HB CYS 11 -4.315 15.587 0.885 57 H THR 12 H THR 12 -1.344 16.313 1.926 58 HA THR 12 HA THR 12 0.048 14.611 -0.035 59 HB THR 12 HB THR 12 2.028 14.940 1.621 60 HG1 THR 12 HG1 THR 12 0.914 16.049 3.222 61 1HG2 THR 12 1HG2 THR 12 2.920 16.655 0.364 62 2HG2 THR 12 2HG2 THR 12 1.356 17.438 0.132 63 3HG2 THR 12 3HG2 THR 12 1.735 15.947 -0.732 64 H GLY 13 H GLY 13 -1.354 14.886 3.134 65 1HA GLY 13 1HA GLY 13 -0.309 12.634 4.382 66 2HA GLY 13 2HA GLY 13 -1.899 13.308 4.701 67 H ALA 14 H ALA 14 -3.655 12.654 3.231 68 HA ALA 14 HA ALA 14 -3.201 10.042 1.968 69 1HB ALA 14 1HB ALA 14 -4.972 8.999 3.062 70 2HB ALA 14 2HB ALA 14 -5.662 10.528 3.608 71 3HB ALA 14 3HB ALA 14 -4.181 9.916 4.344 72 H CYS 15 H CYS 15 -4.409 9.635 0.155 73 HA CYS 15 HA CYS 15 -5.716 11.933 -1.036 74 1HB CYS 15 1HB CYS 15 -4.798 9.260 -2.031 75 2HB CYS 15 2HB CYS 15 -5.958 10.185 -2.977 76 H THR 16 H THR 16 -7.856 11.921 -1.862 77 HA THR 16 HA THR 16 -9.605 9.880 -0.654 78 HB THR 16 HB THR 16 -10.271 12.805 -1.006 79 HG1 THR 16 HG1 THR 16 -9.674 13.102 1.014 80 1HG2 THR 16 1HG2 THR 16 -12.359 12.086 -0.744 81 2HG2 THR 16 2HG2 THR 16 -11.905 11.810 0.938 82 3HG2 THR 16 3HG2 THR 16 -11.842 10.483 -0.223 83 H GLY 17 H GLY 17 -9.641 8.699 -2.605 84 1HA GLY 17 1HA GLY 17 -10.347 8.149 -4.726 85 2HA GLY 17 2HA GLY 17 -11.782 9.061 -4.267 86 H CYS 18 H CYS 18 -8.578 9.345 -5.733 87 HA CYS 18 HA CYS 18 -9.643 11.421 -7.494 88 1HB CYS 18 1HB CYS 18 -7.187 12.453 -7.169 89 2HB CYS 18 2HB CYS 18 -8.569 12.958 -6.196 90 H GLY 19 H GLY 19 -6.428 10.013 -6.875 91 1HA GLY 19 1HA GLY 19 -6.065 8.085 -8.617 92 2HA GLY 19 2HA GLY 19 -6.181 9.440 -9.738 93 H ASN 20 H ASN 20 -4.616 11.219 -9.429 94 HA ASN 20 HA ASN 20 -1.992 10.123 -8.913 95 1HB ASN 20 1HB ASN 20 -2.095 11.478 -10.842 96 2HB ASN 20 2HB ASN 20 -2.975 12.753 -10.008 97 1HD2 ASN 20 1HD2 ASN 20 -0.006 10.971 -9.237 98 2HD2 ASN 20 2HD2 ASN 20 0.997 12.369 -9.080 99 H CYS 21 H CYS 21 -0.791 10.426 -7.167 100 HA CYS 21 HA CYS 21 -1.661 12.434 -5.194 101 1HB CYS 21 1HB CYS 21 -0.589 9.655 -4.654 102 2HB CYS 21 2HB CYS 21 -0.917 10.870 -3.415 103 HA PRO 22 HA PRO 22 2.540 13.787 -5.216 104 1HB PRO 22 1HB PRO 22 2.757 14.984 -2.829 105 2HB PRO 22 2HB PRO 22 1.679 15.608 -4.082 106 1HG PRO 22 1HG PRO 22 1.029 14.007 -1.649 107 2HG PRO 22 2HG PRO 22 0.136 15.350 -2.381 108 1HD PRO 22 1HD PRO 22 -0.466 12.664 -2.712 109 2HD PRO 22 2HD PRO 22 -0.992 13.967 -3.795 110 H ASN 23 H ASN 23 1.697 12.218 -2.125 111 HA ASN 23 HA ASN 23 3.691 10.254 -2.290 112 1HB ASN 23 1HB ASN 23 5.358 11.012 -0.746 113 2HB ASN 23 2HB ASN 23 5.156 12.277 -1.961 114 1HD2 ASN 23 1HD2 ASN 23 3.295 13.860 -1.278 115 2HD2 ASN 23 2HD2 ASN 23 3.443 14.473 0.329 116 H ALA 24 H ALA 24 0.950 10.500 -1.578 117 HA ALA 24 HA ALA 24 0.658 10.292 1.260 118 1HB ALA 24 1HB ALA 24 -1.567 10.287 0.872 119 2HB ALA 24 2HB ALA 24 -1.441 9.156 -0.475 120 3HB ALA 24 3HB ALA 24 -1.066 10.863 -0.718 121 H VAL 25 H VAL 25 0.681 8.534 2.535 122 HA VAL 25 HA VAL 25 1.609 6.040 1.392 123 HB VAL 25 HB VAL 25 1.613 5.286 3.821 124 1HG1 VAL 25 1HG1 VAL 25 3.643 5.969 2.723 125 2HG1 VAL 25 2HG1 VAL 25 3.626 6.626 4.360 126 3HG1 VAL 25 3HG1 VAL 25 3.259 7.669 2.987 127 1HG2 VAL 25 1HG2 VAL 25 -0.057 7.067 4.497 128 2HG2 VAL 25 2HG2 VAL 25 1.278 8.216 4.411 129 3HG2 VAL 25 3HG2 VAL 25 1.343 6.871 5.550 130 H THR 26 H THR 26 -1.392 7.402 2.179 131 HA THR 26 HA THR 26 -2.671 4.794 1.854 132 HB THR 26 HB THR 26 -4.150 6.411 3.752 133 HG1 THR 26 HG1 THR 26 -1.542 5.591 4.506 134 1HG2 THR 26 1HG2 THR 26 -4.531 4.019 3.398 135 2HG2 THR 26 2HG2 THR 26 -4.164 4.399 5.081 136 3HG2 THR 26 3HG2 THR 26 -2.928 3.679 4.049 137 H CYS 27 H CYS 27 -4.351 4.860 0.488 138 HA CYS 27 HA CYS 27 -5.478 7.500 -0.183 139 1HB CYS 27 1HB CYS 27 -5.304 5.278 -2.196 140 2HB CYS 27 2HB CYS 27 -5.494 7.010 -2.473 141 H THR 28 H THR 28 -7.654 7.562 -0.828 142 HA THR 28 HA THR 28 -9.232 5.257 0.098 143 HB THR 28 HB THR 28 -10.254 8.076 -0.240 144 HG1 THR 28 HG1 THR 28 -8.749 8.367 1.287 145 1HG2 THR 28 1HG2 THR 28 -11.306 6.371 1.887 146 2HG2 THR 28 2HG2 THR 28 -11.642 5.800 0.252 147 3HG2 THR 28 3HG2 THR 28 -12.145 7.417 0.742 148 H ASN 29 H ASN 29 -9.048 4.194 -1.925 149 HA ASN 29 HA ASN 29 -10.016 3.458 -3.820 150 1HB ASN 29 1HB ASN 29 -11.463 6.105 -4.054 151 2HB ASN 29 2HB ASN 29 -11.874 4.580 -4.837 152 1HD2 ASN 29 1HD2 ASN 29 -12.240 6.533 -2.072 153 2HD2 ASN 29 2HD2 ASN 29 -13.237 5.458 -1.158 154 H SER 30 H SER 30 -10.606 5.626 -5.881 155 HA SER 30 HA SER 30 -9.536 6.941 -7.434 156 1HB SER 30 1HB SER 30 -7.520 7.939 -6.973 157 2HB SER 30 2HB SER 30 -7.958 7.435 -5.344 158 HG SER 30 HG SER 30 -5.821 6.749 -6.759 159 H GLN 31 H GLN 31 -7.320 6.627 -8.881 160 HA GLN 31 HA GLN 31 -7.043 3.771 -9.457 161 1HB GLN 31 1HB GLN 31 -7.249 4.480 -11.956 162 2HB GLN 31 2HB GLN 31 -8.704 4.183 -11.007 163 1HG GLN 31 1HG GLN 31 -9.430 6.211 -11.494 164 2HG GLN 31 2HG GLN 31 -8.018 6.916 -10.711 165 1HE2 GLN 31 1HE2 GLN 31 -6.415 7.769 -11.933 166 2HE2 GLN 31 2HE2 GLN 31 -6.454 7.857 -13.657 167 H HIS 32 H HIS 32 -4.984 4.988 -8.269 168 HA HIS 32 HA HIS 32 -2.868 4.645 -10.036 169 1HB HIS 32 1HB HIS 32 -4.073 7.049 -10.606 170 2HB HIS 32 2HB HIS 32 -2.761 7.531 -9.527 171 HD1 HIS 32 HD1 HIS 32 -1.527 8.684 -11.494 172 HD2 HIS 32 HD2 HIS 32 -2.077 4.594 -11.981 173 HE1 HIS 32 HE1 HIS 32 -0.022 8.026 -13.397 174 HE2 HIS 32 HE2 HIS 32 -0.301 5.531 -13.612 175 H CYS 33 H CYS 33 -3.495 4.007 -7.319 176 HA CYS 33 HA CYS 33 -1.327 5.454 -5.940 177 1HB CYS 33 1HB CYS 33 -3.975 4.530 -5.022 178 2HB CYS 33 2HB CYS 33 -2.642 4.227 -3.902 179 H VAL 34 H VAL 34 -0.206 3.781 -7.413 180 HA VAL 34 HA VAL 34 -0.146 1.056 -6.624 181 HB VAL 34 HB VAL 34 1.788 0.846 -8.055 182 1HG1 VAL 34 1HG1 VAL 34 0.873 1.751 -10.147 183 2HG1 VAL 34 2HG1 VAL 34 -0.245 2.747 -9.216 184 3HG1 VAL 34 3HG1 VAL 34 -0.369 0.988 -9.154 185 1HG2 VAL 34 1HG2 VAL 34 1.821 3.865 -8.106 186 2HG2 VAL 34 2HG2 VAL 34 2.826 2.818 -9.111 187 3HG2 VAL 34 3HG2 VAL 34 3.028 2.817 -7.355 188 H LYS 35 H LYS 35 1.751 3.883 -5.755 189 HA LYS 35 HA LYS 35 3.502 2.264 -4.084 190 1HB LYS 35 1HB LYS 35 5.002 4.013 -4.131 191 2HB LYS 35 2HB LYS 35 4.206 4.202 -5.681 192 1HG LYS 35 1HG LYS 35 2.637 5.768 -4.147 193 2HG LYS 35 2HG LYS 35 4.186 5.952 -3.320 194 1HD LYS 35 1HD LYS 35 3.687 6.407 -6.263 195 2HD LYS 35 2HD LYS 35 3.878 7.666 -5.041 196 1HE LYS 35 1HE LYS 35 6.051 5.706 -5.086 197 2HE LYS 35 2HE LYS 35 5.889 6.631 -6.578 198 1HZ LYS 35 1HZ LYS 35 7.152 8.093 -5.457 199 2HZ LYS 35 2HZ LYS 35 6.705 7.507 -3.935 200 3HZ LYS 35 3HZ LYS 35 5.682 8.568 -4.765 201 H ALA 36 H ALA 36 0.706 2.599 -3.352 202 HA ALA 36 HA ALA 36 0.881 4.277 -0.952 203 1HB ALA 36 1HB ALA 36 -1.561 2.920 -2.082 204 2HB ALA 36 2HB ALA 36 -1.057 4.558 -2.497 205 3HB ALA 36 3HB ALA 36 -1.509 4.167 -0.837 206 H ASN 37 H ASN 37 0.641 3.468 1.096 207 HA ASN 37 HA ASN 37 1.490 0.842 1.603 208 1HB ASN 37 1HB ASN 37 1.407 3.042 3.101 209 2HB ASN 37 2HB ASN 37 -0.078 2.295 3.680 210 1HD2 ASN 37 1HD2 ASN 37 2.371 2.797 5.119 211 2HD2 ASN 37 2HD2 ASN 37 2.938 1.264 5.679 212 H THR 38 H THR 38 -1.713 2.259 1.378 213 HA THR 38 HA THR 38 -2.889 -0.360 1.117 214 HB THR 38 HB THR 38 -4.541 0.939 3.046 215 HG1 THR 38 HG1 THR 38 -3.090 0.985 4.797 216 1HG2 THR 38 1HG2 THR 38 -3.893 -1.056 4.451 217 2HG2 THR 38 2HG2 THR 38 -2.891 -1.563 3.091 218 3HG2 THR 38 3HG2 THR 38 -4.636 -1.398 2.889 219 H CYS 39 H CYS 39 -4.953 -0.317 0.172 220 HA CYS 39 HA CYS 39 -6.139 2.280 -0.409 221 1HB CYS 39 1HB CYS 39 -6.346 1.503 -2.872 222 2HB CYS 39 2HB CYS 39 -4.815 2.192 -2.328 223 H THR 40 H THR 40 -8.302 2.220 -0.523 224 HA THR 40 HA THR 40 -9.602 -0.422 -0.622 225 HB THR 40 HB THR 40 -10.701 1.947 0.885 226 HG1 THR 40 HG1 THR 40 -8.721 1.452 1.829 227 1HG2 THR 40 1HG2 THR 40 -11.909 0.266 2.160 228 2HG2 THR 40 2HG2 THR 40 -11.192 -1.007 1.171 229 3HG2 THR 40 3HG2 THR 40 -12.291 0.164 0.440 230 H GLY 41 H GLY 41 -10.465 -0.539 -2.609 231 1HA GLY 41 1HA GLY 41 -12.118 -0.089 -4.193 232 2HA GLY 41 2HA GLY 41 -12.467 1.417 -3.363 233 H SER 42 H SER 42 -9.381 0.252 -4.639 234 HA SER 42 HA SER 42 -9.454 2.475 -6.560 235 1HB SER 42 1HB SER 42 -7.877 2.674 -4.418 236 2HB SER 42 2HB SER 42 -6.835 1.605 -5.357 237 HG SER 42 HG SER 42 -6.600 3.998 -5.602 238 H THR 43 H THR 43 -6.796 1.646 -7.599 239 HA THR 43 HA THR 43 -7.301 -1.094 -8.391 240 HB THR 43 HB THR 43 -7.445 -0.768 -10.663 241 HG1 THR 43 HG1 THR 43 -6.574 0.858 -11.708 242 1HG2 THR 43 1HG2 THR 43 -9.522 -0.125 -9.788 243 2HG2 THR 43 2HG2 THR 43 -9.122 1.060 -11.034 244 3HG2 THR 43 3HG2 THR 43 -8.925 1.472 -9.326 245 H ASP 44 H ASP 44 -5.163 1.234 -9.930 246 HA ASP 44 HA ASP 44 -2.929 -0.341 -10.038 247 1HB ASP 44 1HB ASP 44 -3.560 2.278 -10.733 248 2HB ASP 44 2HB ASP 44 -2.231 2.452 -9.591 249 H CYS 45 H CYS 45 -2.914 -1.435 -8.074 250 HA CYS 45 HA CYS 45 -1.499 -0.023 -5.912 251 1HB CYS 45 1HB CYS 45 -3.920 -1.790 -5.755 252 2HB CYS 45 2HB CYS 45 -2.807 -1.683 -4.387 253 H ASN 46 H ASN 46 0.430 -0.983 -6.865 254 HA ASN 46 HA ASN 46 0.636 -3.871 -6.856 255 1HB ASN 46 1HB ASN 46 2.768 -3.597 -7.864 256 2HB ASN 46 2HB ASN 46 1.723 -2.373 -8.588 257 1HD2 ASN 46 1HD2 ASN 46 4.711 -2.682 -7.993 258 2HD2 ASN 46 2HD2 ASN 46 5.139 -1.159 -7.298 259 H THR 47 H THR 47 1.917 -1.156 -4.975 260 HA THR 47 HA THR 47 3.466 -2.887 -3.273 261 HB THR 47 HB THR 47 3.890 -0.381 -3.898 262 HG1 THR 47 HG1 THR 47 4.246 -1.246 -1.224 263 1HG2 THR 47 1HG2 THR 47 3.113 1.267 -2.452 264 2HG2 THR 47 2HG2 THR 47 2.468 0.091 -1.308 265 3HG2 THR 47 3HG2 THR 47 1.672 0.337 -2.861 266 H ALA 48 H ALA 48 0.289 -1.472 -3.236 267 HA ALA 48 HA ALA 48 -0.419 -1.469 -0.596 268 1HB ALA 48 1HB ALA 48 -2.329 -2.631 -2.573 269 2HB ALA 48 2HB ALA 48 -1.793 -0.960 -2.751 270 3HB ALA 48 3HB ALA 48 -2.619 -1.469 -1.278 271 H GLN 49 H GLN 49 -0.769 -2.923 0.974 272 HA GLN 49 HA GLN 49 -0.144 -5.701 0.436 273 1HB GLN 49 1HB GLN 49 0.644 -4.305 2.460 274 2HB GLN 49 2HB GLN 49 -0.966 -4.590 3.106 275 1HG GLN 49 1HG GLN 49 -0.587 -7.005 2.970 276 2HG GLN 49 2HG GLN 49 1.035 -6.707 2.346 277 1HE2 GLN 49 1HE2 GLN 49 -0.970 -6.858 5.121 278 2HE2 GLN 49 2HE2 GLN 49 0.251 -6.530 6.299 279 H THR 50 H THR 50 -2.892 -3.995 0.084 280 HA THR 50 HA THR 50 -4.554 -6.250 -0.031 281 HB THR 50 HB THR 50 -4.289 -5.898 2.486 282 HG1 THR 50 HG1 THR 50 -6.121 -6.948 1.237 283 1HG2 THR 50 1HG2 THR 50 -5.540 -4.268 3.596 284 2HG2 THR 50 2HG2 THR 50 -6.355 -3.764 2.115 285 3HG2 THR 50 3HG2 THR 50 -4.647 -3.396 2.350 286 H CYS 51 H CYS 51 -6.875 -5.647 -0.397 287 HA CYS 51 HA CYS 51 -7.543 -2.935 -0.982 288 1HB CYS 51 1HB CYS 51 -7.889 -3.352 -3.461 289 2HB CYS 51 2HB CYS 51 -6.210 -3.189 -2.939 290 H THR 52 H THR 52 -9.718 -2.845 -2.176 291 HA THR 52 HA THR 52 -11.322 -5.232 -1.553 292 HB THR 52 HB THR 52 -11.562 -3.474 0.208 293 HG1 THR 52 HG1 THR 52 -13.761 -4.254 -1.373 294 1HG2 THR 52 1HG2 THR 52 -13.007 -1.530 -0.336 295 2HG2 THR 52 2HG2 THR 52 -12.751 -1.880 -2.047 296 3HG2 THR 52 3HG2 THR 52 -11.383 -1.440 -1.022 297 H ASN 53 H ASN 53 -10.264 -3.440 -4.000 298 HA ASN 53 HA ASN 53 -12.050 -4.352 -5.894 299 1HB ASN 53 1HB ASN 53 -13.234 -2.281 -4.432 300 2HB ASN 53 2HB ASN 53 -12.724 -1.529 -5.947 301 1HD2 ASN 53 1HD2 ASN 53 -13.164 -3.150 -7.876 302 2HD2 ASN 53 2HD2 ASN 53 -14.788 -3.733 -7.933 303 H SER 54 H SER 54 -9.265 -3.947 -5.606 304 HA SER 54 HA SER 54 -8.631 -1.811 -7.503 305 1HB SER 54 1HB SER 54 -7.225 -3.078 -5.311 306 2HB SER 54 2HB SER 54 -6.249 -3.093 -6.787 307 HG SER 54 HG SER 54 -5.838 -1.098 -6.275 308 H LYS 55 H LYS 55 -6.440 -2.695 -8.792 309 HA LYS 55 HA LYS 55 -7.143 -5.234 -10.064 310 1HB LYS 55 1HB LYS 55 -7.024 -2.549 -11.401 311 2HB LYS 55 2HB LYS 55 -6.686 -4.018 -12.308 312 1HG LYS 55 1HG LYS 55 -8.844 -4.663 -12.335 313 2HG LYS 55 2HG LYS 55 -9.162 -4.045 -10.713 314 1HD LYS 55 1HD LYS 55 -10.435 -2.717 -12.216 315 2HD LYS 55 2HD LYS 55 -9.069 -1.728 -11.694 316 1HE LYS 55 1HE LYS 55 -8.923 -1.337 -13.924 317 2HE LYS 55 2HE LYS 55 -7.975 -2.822 -13.865 318 1HZ LYS 55 1HZ LYS 55 -9.560 -3.980 -14.939 319 2HZ LYS 55 2HZ LYS 55 -10.030 -2.458 -15.508 320 3HZ LYS 55 3HZ LYS 55 -10.841 -3.160 -14.200 321 H ASP 56 H ASP 56 -4.851 -4.002 -8.400 322 HA ASP 56 HA ASP 56 -2.757 -5.193 -10.012 323 1HB ASP 56 1HB ASP 56 -3.034 -2.349 -9.739 324 2HB ASP 56 2HB ASP 56 -1.528 -2.879 -8.981 325 H CYS 57 H CYS 57 -4.191 -5.614 -7.358 326 HA CYS 57 HA CYS 57 -2.122 -5.252 -5.388 327 1HB CYS 57 1HB CYS 57 -4.410 -7.116 -4.927 328 2HB CYS 57 2HB CYS 57 -3.631 -5.996 -3.811 329 H PHE 58 H PHE 58 -0.700 -6.474 -7.087 330 HA PHE 58 HA PHE 58 -0.836 -9.279 -7.256 331 1HB PHE 58 1HB PHE 58 1.745 -7.739 -7.411 332 2HB PHE 58 2HB PHE 58 1.275 -9.185 -8.296 333 HD1 PHE 58 HD1 PHE 58 1.238 -5.599 -8.159 334 HD2 PHE 58 HD2 PHE 58 -0.282 -9.037 -10.147 335 HE1 PHE 58 HE1 PHE 58 0.602 -4.204 -10.073 336 HE2 PHE 58 HE2 PHE 58 -0.926 -7.646 -12.064 337 HZ PHE 58 HZ PHE 58 -0.466 -5.248 -12.002 338 H GLU 59 H GLU 59 0.543 -7.123 -4.876 339 HA GLU 59 HA GLU 59 1.454 -9.469 -3.342 340 1HB GLU 59 1HB GLU 59 2.662 -6.770 -3.741 341 2HB GLU 59 2HB GLU 59 2.894 -7.567 -2.184 342 1HG GLU 59 1HG GLU 59 4.726 -8.346 -3.253 343 2HG GLU 59 2HG GLU 59 3.581 -9.589 -3.752 344 H ALA 60 H ALA 60 -1.136 -8.925 -3.063 345 HA ALA 60 HA ALA 60 -1.341 -7.380 -0.560 346 1HB ALA 60 1HB ALA 60 -3.153 -7.664 -2.879 347 2HB ALA 60 2HB ALA 60 -2.852 -6.274 -1.835 348 3HB ALA 60 3HB ALA 60 -3.903 -7.582 -1.286 349 H ASN 61 H ASN 61 -2.556 -8.223 1.151 350 HA ASN 61 HA ASN 61 -2.518 -11.107 1.311 351 1HB ASN 61 1HB ASN 61 -2.612 -8.869 3.185 352 2HB ASN 61 2HB ASN 61 -3.700 -10.176 3.641 353 1HD2 ASN 61 1HD2 ASN 61 -2.787 -11.431 5.082 354 2HD2 ASN 61 2HD2 ASN 61 -1.140 -11.954 5.087 355 H THR 62 H THR 62 -4.928 -8.517 1.338 356 HA THR 62 HA THR 62 -7.033 -10.564 1.070 357 HB THR 62 HB THR 62 -7.845 -7.806 1.736 358 HG1 THR 62 HG1 THR 62 -6.614 -7.616 3.402 359 1HG2 THR 62 1HG2 THR 62 -9.346 -8.869 3.253 360 2HG2 THR 62 2HG2 THR 62 -8.508 -10.411 3.078 361 3HG2 THR 62 3HG2 THR 62 -9.402 -9.733 1.717 362 H CYS 63 H CYS 63 -8.300 -10.557 -0.705 363 HA CYS 63 HA CYS 63 -8.277 -8.220 -2.463 364 1HB CYS 63 1HB CYS 63 -7.199 -10.921 -3.116 365 2HB CYS 63 2HB CYS 63 -8.079 -10.057 -4.377 366 H THR 64 H THR 64 -10.406 -7.789 -2.151 367 HA THR 64 HA THR 64 -12.306 -9.854 -3.049 368 HB THR 64 HB THR 64 -13.826 -8.183 -1.492 369 HG1 THR 64 HG1 THR 64 -11.378 -8.564 -0.120 370 1HG2 THR 64 1HG2 THR 64 -13.417 -9.958 0.347 371 2HG2 THR 64 2HG2 THR 64 -12.491 -10.783 -0.907 372 3HG2 THR 64 3HG2 THR 64 -14.199 -10.426 -1.162 373 H ASP 65 H ASP 65 -13.475 -9.308 -4.776 374 HA ASP 65 HA ASP 65 -14.540 -8.074 -6.371 375 1HB ASP 65 1HB ASP 65 -15.192 -6.731 -4.175 376 2HB ASP 65 2HB ASP 65 -14.139 -5.508 -4.894 377 H SER 66 H SER 66 -11.529 -8.293 -6.044 378 HA SER 66 HA SER 66 -10.814 -6.087 -7.864 379 1HB SER 66 1HB SER 66 -8.537 -6.180 -6.973 380 2HB SER 66 2HB SER 66 -9.691 -5.904 -5.662 381 HG SER 66 HG SER 66 -8.984 -7.664 -4.784 382 H THR 67 H THR 67 -8.637 -6.754 -9.043 383 HA THR 67 HA THR 67 -8.747 -9.554 -9.872 384 HB THR 67 HB THR 67 -9.976 -7.602 -11.367 385 HG1 THR 67 HG1 THR 67 -10.272 -9.215 -12.758 386 1HG2 THR 67 1HG2 THR 67 -7.668 -6.736 -11.956 387 2HG2 THR 67 2HG2 THR 67 -8.763 -7.098 -13.289 388 3HG2 THR 67 3HG2 THR 67 -7.474 -8.227 -12.875 389 H ASN 68 H ASN 68 -6.823 -10.202 -11.133 390 HA ASN 68 HA ASN 68 -4.556 -10.379 -11.319 391 1HB ASN 68 1HB ASN 68 -5.120 -7.490 -11.768 392 2HB ASN 68 2HB ASN 68 -3.435 -7.964 -11.536 393 1HD2 ASN 68 1HD2 ASN 68 -5.752 -7.448 -13.785 394 2HD2 ASN 68 2HD2 ASN 68 -5.132 -8.416 -15.075 395 H CYS 69 H CYS 69 -4.944 -11.002 -8.908 396 HA CYS 69 HA CYS 69 -3.418 -9.187 -7.167 397 1HB CYS 69 1HB CYS 69 -5.535 -11.238 -6.629 398 2HB CYS 69 2HB CYS 69 -4.416 -10.768 -5.350 399 H TYR 70 H TYR 70 -2.467 -11.290 -9.154 400 HA TYR 70 HA TYR 70 -0.885 -12.904 -9.339 401 1HB TYR 70 1HB TYR 70 0.018 -11.006 -7.319 402 2HB TYR 70 2HB TYR 70 0.771 -12.592 -7.142 403 HD1 TYR 70 HD1 TYR 70 -0.286 -11.313 -10.421 404 HD2 TYR 70 HD2 TYR 70 2.973 -11.787 -7.727 405 HE1 TYR 70 HE1 TYR 70 1.284 -10.763 -12.232 406 HE2 TYR 70 HE2 TYR 70 4.552 -11.237 -9.529 407 HH TYR 70 HH TYR 70 3.999 -9.708 -12.060 408 H LYS 71 H LYS 71 -0.815 -12.874 -5.790 409 HA LYS 71 HA LYS 71 -2.250 -15.376 -5.631 410 1HB LYS 71 1HB LYS 71 -0.372 -16.570 -4.514 411 2HB LYS 71 2HB LYS 71 -0.078 -16.231 -6.220 412 1HG LYS 71 1HG LYS 71 1.866 -15.359 -5.616 413 2HG LYS 71 2HG LYS 71 0.967 -14.033 -4.878 414 1HD LYS 71 1HD LYS 71 0.803 -15.973 -2.958 415 2HD LYS 71 2HD LYS 71 2.408 -16.260 -3.634 416 1HE LYS 71 1HE LYS 71 3.242 -14.389 -2.729 417 2HE LYS 71 2HE LYS 71 1.830 -13.435 -3.180 418 1HZ LYS 71 1HZ LYS 71 1.666 -15.351 -0.949 419 2HZ LYS 71 2HZ LYS 71 0.747 -13.960 -1.230 420 3HZ LYS 71 3HZ LYS 71 2.348 -13.823 -0.702 421 H ALA 72 H ALA 72 -3.490 -13.709 -4.427 422 HA ALA 72 HA ALA 72 -2.475 -12.712 -1.946 423 1HB ALA 72 1HB ALA 72 -4.378 -11.504 -1.845 424 2HB ALA 72 2HB ALA 72 -5.397 -12.875 -2.284 425 3HB ALA 72 3HB ALA 72 -4.533 -11.983 -3.535 426 H THR 73 H THR 73 -3.689 -13.173 0.147 427 HA THR 73 HA THR 73 -3.703 -16.054 0.532 428 HB THR 73 HB THR 73 -2.593 -14.194 2.048 429 HG1 THR 73 HG1 THR 73 -3.966 -16.372 3.224 430 1HG2 THR 73 1HG2 THR 73 -3.796 -13.185 3.643 431 2HG2 THR 73 2HG2 THR 73 -4.896 -14.551 3.827 432 3HG2 THR 73 3HG2 THR 73 -5.129 -13.402 2.512 433 H ALA 74 H ALA 74 -5.925 -13.374 0.496 434 HA ALA 74 HA ALA 74 -8.131 -15.232 1.116 435 1HB ALA 74 1HB ALA 74 -9.361 -13.032 1.706 436 2HB ALA 74 2HB ALA 74 -7.739 -12.349 1.825 437 3HB ALA 74 3HB ALA 74 -8.206 -13.701 2.858 438 H CYS 75 H CYS 75 -9.549 -15.582 -0.476 439 HA CYS 75 HA CYS 75 -10.062 -13.517 -2.458 440 1HB CYS 75 1HB CYS 75 -8.332 -15.758 -2.966 441 2HB CYS 75 2HB CYS 75 -9.767 -15.873 -3.989 442 H THR 76 H THR 76 -11.937 -13.918 -3.754 443 HA THR 76 HA THR 76 -13.624 -16.175 -3.077 444 HB THR 76 HB THR 76 -14.522 -13.341 -2.518 445 HG1 THR 76 HG1 THR 76 -13.416 -13.847 -0.762 446 1HG2 THR 76 1HG2 THR 76 -16.613 -14.044 -2.443 447 2HG2 THR 76 2HG2 THR 76 -16.174 -15.378 -1.376 448 3HG2 THR 76 3HG2 THR 76 -16.079 -15.580 -3.125 449 H ASN 77 H ASN 77 -13.453 -13.021 -4.702 450 HA ASN 77 HA ASN 77 -14.354 -14.260 -7.170 451 1HB ASN 77 1HB ASN 77 -15.952 -12.287 -5.609 452 2HB ASN 77 2HB ASN 77 -15.929 -12.115 -7.367 453 1HD2 ASN 77 1HD2 ASN 77 -17.696 -13.305 -4.972 454 2HD2 ASN 77 2HD2 ASN 77 -18.431 -14.661 -5.749 455 H SER 78 H SER 78 -11.872 -13.560 -6.923 456 HA SER 78 HA SER 78 -11.642 -11.047 -8.428 457 1HB SER 78 1HB SER 78 -10.862 -10.314 -6.349 458 2HB SER 78 2HB SER 78 -10.123 -11.875 -5.969 459 HG SER 78 HG SER 78 -8.875 -9.824 -6.866 460 H SER 79 H SER 79 -10.057 -11.021 -10.034 461 HA SER 79 HA SER 79 -9.119 -13.650 -10.839 462 1HB SER 79 1HB SER 79 -10.077 -11.583 -12.297 463 2HB SER 79 2HB SER 79 -8.343 -11.294 -12.439 464 HG SER 79 HG SER 79 -8.168 -12.992 -13.670 465 H GLY 80 H GLY 80 -6.865 -13.899 -11.634 466 1HA GLY 80 1HA GLY 80 -4.568 -13.536 -11.467 467 2HA GLY 80 2HA GLY 80 -4.893 -12.110 -10.491 468 H CYS 81 H CYS 81 -6.479 -13.256 -8.503 469 HA CYS 81 HA CYS 81 -4.462 -14.826 -7.066 470 1HB CYS 81 1HB CYS 81 -4.864 -13.040 -5.687 471 2HB CYS 81 2HB CYS 81 -6.508 -12.817 -6.282 472 HA PRO 82 HA PRO 82 -6.834 -18.543 -7.094 473 1HB PRO 82 1HB PRO 82 -6.214 -18.792 -4.201 474 2HB PRO 82 2HB PRO 82 -5.872 -19.913 -5.528 475 1HG PRO 82 1HG PRO 82 -3.925 -18.462 -4.419 476 2HG PRO 82 2HG PRO 82 -3.953 -18.781 -6.162 477 1HD PRO 82 1HD PRO 82 -4.696 -16.299 -4.675 478 2HD PRO 82 2HD PRO 82 -3.852 -16.474 -6.226 479 H GLY 83 H GLY 83 -8.155 -19.653 -4.831 480 1HA GLY 83 1HA GLY 83 -10.165 -19.573 -3.725 481 2HA GLY 83 2HA GLY 83 -9.905 -17.843 -3.561 482 H HIS 84 H HIS 84 -12.141 -19.882 -4.500 483 HA HIS 84 HA HIS 84 -13.642 -18.043 -5.969 484 1HB HIS 84 1HB HIS 84 -13.646 -19.376 -8.176 485 2HB HIS 84 2HB HIS 84 -12.292 -18.293 -7.872 486 HD1 HIS 84 HD1 HIS 84 -12.691 -21.811 -6.523 487 HD2 HIS 84 HD2 HIS 84 -10.297 -19.653 -9.145 488 HE1 HIS 84 HE1 HIS 84 -10.843 -23.379 -7.191 489 HE2 HIS 84 HE2 HIS 84 -9.452 -22.078 -8.840 Start of MODEL 5 1 1H GLN 1 1H GLN 1 -6.182 20.892 3.942 2 2H GLN 1 2H GLN 1 -6.909 21.243 2.427 3 3H GLN 1 3H GLN 1 -6.182 22.499 3.345 4 HA GLN 1 HA GLN 1 -4.658 22.052 1.729 5 1HB GLN 1 1HB GLN 1 -4.166 21.477 4.423 6 2HB GLN 1 2HB GLN 1 -3.366 20.186 3.537 7 1HG GLN 1 1HG GLN 1 -2.924 23.144 3.234 8 2HG GLN 1 2HG GLN 1 -1.806 21.956 3.903 9 1HE2 GLN 1 1HE2 GLN 1 -0.569 20.744 2.552 10 2HE2 GLN 1 2HE2 GLN 1 -0.522 20.960 0.838 11 H CYS 2 H CYS 2 -6.195 19.152 2.926 12 HA CYS 2 HA CYS 2 -5.637 17.827 0.398 13 1HB CYS 2 1HB CYS 2 -4.600 16.905 3.046 14 2HB CYS 2 2HB CYS 2 -5.112 15.698 1.870 15 H THR 3 H THR 3 -7.577 17.254 -0.300 16 HA THR 3 HA THR 3 -9.336 15.716 1.422 17 HB THR 3 HB THR 3 -10.094 17.969 1.883 18 HG1 THR 3 HG1 THR 3 -11.750 16.479 1.672 19 1HG2 THR 3 1HG2 THR 3 -9.501 18.459 -0.849 20 2HG2 THR 3 2HG2 THR 3 -9.977 19.602 0.407 21 3HG2 THR 3 3HG2 THR 3 -11.208 18.800 -0.568 22 H GLY 4 H GLY 4 -11.491 15.319 0.004 23 1HA GLY 4 1HA GLY 4 -10.460 14.205 -2.509 24 2HA GLY 4 2HA GLY 4 -11.917 13.680 -1.669 25 H GLY 5 H GLY 5 -12.021 14.103 -4.351 26 1HA GLY 5 1HA GLY 5 -14.229 15.597 -4.808 27 2HA GLY 5 2HA GLY 5 -12.938 16.785 -4.919 28 H ALA 6 H ALA 6 -11.044 16.000 -6.362 29 HA ALA 6 HA ALA 6 -11.901 14.344 -8.591 30 1HB ALA 6 1HB ALA 6 -11.086 17.208 -9.060 31 2HB ALA 6 2HB ALA 6 -12.746 16.615 -9.118 32 3HB ALA 6 3HB ALA 6 -11.556 16.023 -10.280 33 H ASP 7 H ASP 7 -9.389 16.612 -7.471 34 HA ASP 7 HA ASP 7 -7.378 14.596 -8.197 35 1HB ASP 7 1HB ASP 7 -5.870 16.542 -8.844 36 2HB ASP 7 2HB ASP 7 -7.190 16.173 -9.958 37 H CYS 8 H CYS 8 -5.421 14.680 -6.978 38 HA CYS 8 HA CYS 8 -5.608 16.224 -4.478 39 1HB CYS 8 1HB CYS 8 -5.086 13.299 -4.879 40 2HB CYS 8 2HB CYS 8 -4.369 14.132 -3.497 41 H THR 9 H THR 9 -4.200 17.136 -6.667 42 HA THR 9 HA THR 9 -1.436 16.369 -6.479 43 HB THR 9 HB THR 9 -2.402 17.143 -8.603 44 HG1 THR 9 HG1 THR 9 -0.388 17.638 -8.872 45 1HG2 THR 9 1HG2 THR 9 -3.205 19.246 -9.027 46 2HG2 THR 9 2HG2 THR 9 -2.399 19.955 -7.628 47 3HG2 THR 9 3HG2 THR 9 -3.832 18.951 -7.405 48 H SER 10 H SER 10 0.285 17.676 -5.756 49 HA SER 10 HA SER 10 1.372 19.169 -4.423 50 1HB SER 10 1HB SER 10 -0.204 20.835 -5.538 51 2HB SER 10 2HB SER 10 -1.217 20.689 -4.102 52 HG SER 10 HG SER 10 0.058 22.239 -3.429 53 H CYS 11 H CYS 11 -0.757 17.002 -3.464 54 HA CYS 11 HA CYS 11 -1.268 17.831 -0.762 55 1HB CYS 11 1HB CYS 11 -2.063 15.661 -2.495 56 2HB CYS 11 2HB CYS 11 -1.568 15.039 -0.925 57 H THR 12 H THR 12 -0.705 15.790 0.859 58 HA THR 12 HA THR 12 2.113 15.097 0.563 59 HB THR 12 HB THR 12 2.316 15.806 3.085 60 HG1 THR 12 HG1 THR 12 1.076 17.695 3.481 61 1HG2 THR 12 1HG2 THR 12 3.189 17.954 2.498 62 2HG2 THR 12 2HG2 THR 12 2.303 17.945 0.974 63 3HG2 THR 12 3HG2 THR 12 3.618 16.799 1.237 64 H GLY 13 H GLY 13 -0.812 14.869 2.558 65 1HA GLY 13 1HA GLY 13 0.073 12.363 3.716 66 2HA GLY 13 2HA GLY 13 -1.437 13.194 4.057 67 H ALA 14 H ALA 14 -2.879 11.573 3.758 68 HA ALA 14 HA ALA 14 -2.705 9.782 1.513 69 1HB ALA 14 1HB ALA 14 -3.665 8.637 3.216 70 2HB ALA 14 2HB ALA 14 -5.141 9.265 2.483 71 3HB ALA 14 3HB ALA 14 -4.442 10.069 3.889 72 H CYS 15 H CYS 15 -4.710 9.431 0.133 73 HA CYS 15 HA CYS 15 -6.011 11.977 -0.539 74 1HB CYS 15 1HB CYS 15 -5.790 11.150 -2.998 75 2HB CYS 15 2HB CYS 15 -4.417 11.939 -2.231 76 H THR 16 H THR 16 -8.066 11.822 -1.456 77 HA THR 16 HA THR 16 -9.260 9.159 -1.666 78 HB THR 16 HB THR 16 -10.558 11.397 -0.103 79 HG1 THR 16 HG1 THR 16 -9.346 9.051 0.920 80 1HG2 THR 16 1HG2 THR 16 -11.593 8.968 0.710 81 2HG2 THR 16 2HG2 THR 16 -11.499 8.839 -1.046 82 3HG2 THR 16 3HG2 THR 16 -12.387 10.170 -0.305 83 H GLY 17 H GLY 17 -10.238 9.027 -3.580 84 1HA GLY 17 1HA GLY 17 -11.474 9.600 -5.436 85 2HA GLY 17 2HA GLY 17 -12.079 10.980 -4.519 86 H CYS 18 H CYS 18 -8.887 9.995 -5.738 87 HA CYS 18 HA CYS 18 -8.766 12.377 -7.414 88 1HB CYS 18 1HB CYS 18 -6.663 11.789 -5.316 89 2HB CYS 18 2HB CYS 18 -6.612 13.095 -6.502 90 H GLY 19 H GLY 19 -8.106 11.703 -9.347 91 1HA GLY 19 1HA GLY 19 -7.080 9.153 -9.872 92 2HA GLY 19 2HA GLY 19 -7.024 10.514 -10.988 93 H ASN 20 H ASN 20 -5.437 11.941 -8.714 94 HA ASN 20 HA ASN 20 -2.880 10.559 -9.168 95 1HB ASN 20 1HB ASN 20 -3.059 12.447 -10.735 96 2HB ASN 20 2HB ASN 20 -3.331 13.543 -9.383 97 1HD2 ASN 20 1HD2 ASN 20 -1.529 14.772 -9.809 98 2HD2 ASN 20 2HD2 ASN 20 0.079 14.198 -9.550 99 H CYS 21 H CYS 21 -1.368 10.693 -7.548 100 HA CYS 21 HA CYS 21 -2.042 12.203 -5.133 101 1HB CYS 21 1HB CYS 21 -1.428 9.239 -5.189 102 2HB CYS 21 2HB CYS 21 -1.498 10.219 -3.723 103 HA PRO 22 HA PRO 22 2.309 12.911 -5.221 104 1HB PRO 22 1HB PRO 22 2.693 13.883 -2.727 105 2HB PRO 22 2HB PRO 22 1.847 14.784 -3.985 106 1HG PRO 22 1HG PRO 22 0.759 13.360 -1.625 107 2HG PRO 22 2HG PRO 22 0.140 14.786 -2.467 108 1HD PRO 22 1HD PRO 22 -0.793 12.149 -2.737 109 2HD PRO 22 2HD PRO 22 -1.192 13.520 -3.787 110 H ASN 23 H ASN 23 2.236 12.167 -1.788 111 HA ASN 23 HA ASN 23 3.728 9.688 -2.327 112 1HB ASN 23 1HB ASN 23 4.410 11.140 0.158 113 2HB ASN 23 2HB ASN 23 5.455 10.265 -0.963 114 1HD2 ASN 23 1HD2 ASN 23 3.538 13.230 -0.703 115 2HD2 ASN 23 2HD2 ASN 23 4.634 14.224 -1.595 116 H ALA 24 H ALA 24 0.887 10.235 -1.657 117 HA ALA 24 HA ALA 24 0.249 9.700 0.986 118 1HB ALA 24 1HB ALA 24 -1.194 8.974 -1.554 119 2HB ALA 24 2HB ALA 24 -1.470 10.370 -0.511 120 3HB ALA 24 3HB ALA 24 -1.880 8.751 0.055 121 H VAL 25 H VAL 25 0.345 7.964 2.262 122 HA VAL 25 HA VAL 25 1.433 5.494 1.161 123 HB VAL 25 HB VAL 25 1.706 4.782 3.493 124 1HG1 VAL 25 1HG1 VAL 25 3.354 6.285 2.239 125 2HG1 VAL 25 2HG1 VAL 25 3.527 6.160 3.990 126 3HG1 VAL 25 3HG1 VAL 25 2.761 7.581 3.280 127 1HG2 VAL 25 1HG2 VAL 25 1.321 7.020 5.037 128 2HG2 VAL 25 2HG2 VAL 25 0.249 5.622 4.967 129 3HG2 VAL 25 3HG2 VAL 25 -0.082 7.037 3.969 130 H THR 26 H THR 26 -1.580 6.737 1.584 131 HA THR 26 HA THR 26 -2.859 4.216 1.251 132 HB THR 26 HB THR 26 -4.117 5.417 3.581 133 HG1 THR 26 HG1 THR 26 -2.337 5.825 4.618 134 1HG2 THR 26 1HG2 THR 26 -4.822 3.290 3.380 135 2HG2 THR 26 2HG2 THR 26 -3.427 2.984 4.413 136 3HG2 THR 26 3HG2 THR 26 -3.306 2.733 2.671 137 H CYS 27 H CYS 27 -4.693 4.510 0.119 138 HA CYS 27 HA CYS 27 -5.992 7.141 0.226 139 1HB CYS 27 1HB CYS 27 -6.116 5.991 -2.443 140 2HB CYS 27 2HB CYS 27 -5.654 7.616 -1.941 141 H THR 28 H THR 28 -8.183 7.154 -0.001 142 HA THR 28 HA THR 28 -9.480 4.530 0.119 143 HB THR 28 HB THR 28 -10.960 7.088 0.571 144 HG1 THR 28 HG1 THR 28 -9.894 7.563 2.306 145 1HG2 THR 28 1HG2 THR 28 -12.184 5.855 2.185 146 2HG2 THR 28 2HG2 THR 28 -11.043 4.513 2.115 147 3HG2 THR 28 3HG2 THR 28 -12.077 4.864 0.730 148 H ASN 29 H ASN 29 -9.535 3.978 -2.057 149 HA ASN 29 HA ASN 29 -10.646 3.743 -4.012 150 1HB ASN 29 1HB ASN 29 -12.425 5.333 -2.638 151 2HB ASN 29 2HB ASN 29 -12.039 6.325 -4.046 152 1HD2 ASN 29 1HD2 ASN 29 -12.952 5.852 -5.941 153 2HD2 ASN 29 2HD2 ASN 29 -13.949 4.473 -6.244 154 H SER 30 H SER 30 -11.037 5.258 -6.021 155 HA SER 30 HA SER 30 -10.222 6.749 -7.596 156 1HB SER 30 1HB SER 30 -9.301 7.948 -5.348 157 2HB SER 30 2HB SER 30 -7.784 7.517 -6.142 158 HG SER 30 HG SER 30 -9.928 8.923 -7.355 159 H GLN 31 H GLN 31 -7.489 7.191 -8.263 160 HA GLN 31 HA GLN 31 -6.392 4.485 -8.508 161 1HB GLN 31 1HB GLN 31 -5.902 5.107 -10.972 162 2HB GLN 31 2HB GLN 31 -7.520 4.556 -10.541 163 1HG GLN 31 1HG GLN 31 -7.686 7.282 -10.222 164 2HG GLN 31 2HG GLN 31 -6.625 7.107 -11.617 165 1HE2 GLN 31 1HE2 GLN 31 -9.816 6.946 -10.454 166 2HE2 GLN 31 2HE2 GLN 31 -10.575 6.435 -11.920 167 H HIS 32 H HIS 32 -4.251 4.687 -9.891 168 HA HIS 32 HA HIS 32 -2.103 5.401 -10.015 169 1HB HIS 32 1HB HIS 32 -3.400 7.591 -10.637 170 2HB HIS 32 2HB HIS 32 -2.849 8.137 -9.050 171 HD1 HIS 32 HD1 HIS 32 -1.444 9.941 -10.409 172 HD2 HIS 32 HD2 HIS 32 -0.277 5.989 -10.943 173 HE1 HIS 32 HE1 HIS 32 0.846 10.050 -11.441 174 HE2 HIS 32 HE2 HIS 32 1.562 7.647 -11.692 175 H CYS 33 H CYS 33 -3.232 4.337 -7.536 176 HA CYS 33 HA CYS 33 -1.428 5.614 -5.587 177 1HB CYS 33 1HB CYS 33 -4.079 4.267 -5.305 178 2HB CYS 33 2HB CYS 33 -2.933 4.156 -3.967 179 H VAL 34 H VAL 34 -0.136 4.069 -7.284 180 HA VAL 34 HA VAL 34 -0.024 1.306 -6.620 181 HB VAL 34 HB VAL 34 2.007 1.237 -7.957 182 1HG1 VAL 34 1HG1 VAL 34 0.002 3.091 -9.234 183 2HG1 VAL 34 2HG1 VAL 34 -0.197 1.345 -9.084 184 3HG1 VAL 34 3HG1 VAL 34 1.117 2.004 -10.060 185 1HG2 VAL 34 1HG2 VAL 34 3.069 3.207 -8.834 186 2HG2 VAL 34 2HG2 VAL 34 2.970 3.366 -7.079 187 3HG2 VAL 34 3HG2 VAL 34 1.841 4.246 -8.112 188 H LYS 35 H LYS 35 1.562 4.168 -5.414 189 HA LYS 35 HA LYS 35 3.448 2.586 -3.856 190 1HB LYS 35 1HB LYS 35 4.746 4.456 -3.729 191 2HB LYS 35 2HB LYS 35 3.855 4.846 -5.186 192 1HG LYS 35 1HG LYS 35 2.214 6.028 -3.551 193 2HG LYS 35 2HG LYS 35 3.590 5.995 -2.447 194 1HD LYS 35 1HD LYS 35 3.627 7.154 -5.232 195 2HD LYS 35 2HD LYS 35 3.459 8.090 -3.745 196 1HE LYS 35 1HE LYS 35 5.823 6.494 -4.691 197 2HE LYS 35 2HE LYS 35 5.740 8.219 -4.337 198 1HZ LYS 35 1HZ LYS 35 5.221 7.493 -1.976 199 2HZ LYS 35 2HZ LYS 35 6.811 7.277 -2.510 200 3HZ LYS 35 3HZ LYS 35 5.759 5.956 -2.436 201 H ALA 36 H ALA 36 0.494 2.714 -3.292 202 HA ALA 36 HA ALA 36 0.480 3.984 -0.656 203 1HB ALA 36 1HB ALA 36 -1.404 4.175 -2.443 204 2HB ALA 36 2HB ALA 36 -1.828 3.979 -0.743 205 3HB ALA 36 3HB ALA 36 -1.889 2.593 -1.833 206 H ASN 37 H ASN 37 0.477 2.862 1.218 207 HA ASN 37 HA ASN 37 1.313 0.183 1.269 208 1HB ASN 37 1HB ASN 37 0.386 2.149 3.308 209 2HB ASN 37 2HB ASN 37 0.435 0.451 3.770 210 1HD2 ASN 37 1HD2 ASN 37 2.233 -0.093 4.747 211 2HD2 ASN 37 2HD2 ASN 37 3.803 0.562 4.446 212 H THR 38 H THR 38 -1.879 1.634 1.535 213 HA THR 38 HA THR 38 -3.060 -1.007 1.132 214 HB THR 38 HB THR 38 -3.934 0.878 3.332 215 HG1 THR 38 HG1 THR 38 -2.681 -1.663 3.402 216 1HG2 THR 38 1HG2 THR 38 -5.172 -1.455 3.862 217 2HG2 THR 38 2HG2 THR 38 -5.240 -1.441 2.099 218 3HG2 THR 38 3HG2 THR 38 -5.922 -0.100 3.019 219 H CYS 39 H CYS 39 -5.123 -0.970 0.164 220 HA CYS 39 HA CYS 39 -5.998 1.668 -0.808 221 1HB CYS 39 1HB CYS 39 -6.050 -0.858 -2.462 222 2HB CYS 39 2HB CYS 39 -6.410 0.784 -2.998 223 H THR 40 H THR 40 -8.237 1.737 -1.534 224 HA THR 40 HA THR 40 -10.006 -0.377 -0.633 225 HB THR 40 HB THR 40 -10.749 2.304 0.398 226 HG1 THR 40 HG1 THR 40 -9.451 2.041 2.228 227 1HG2 THR 40 1HG2 THR 40 -11.439 0.945 2.370 228 2HG2 THR 40 2HG2 THR 40 -10.965 -0.494 1.467 229 3HG2 THR 40 3HG2 THR 40 -12.261 0.538 0.863 230 H GLY 41 H GLY 41 -10.764 -0.594 -2.713 231 1HA GLY 41 1HA GLY 41 -12.314 -0.144 -4.384 232 2HA GLY 41 2HA GLY 41 -12.673 1.381 -3.590 233 H SER 42 H SER 42 -9.563 0.166 -4.727 234 HA SER 42 HA SER 42 -9.545 2.321 -6.717 235 1HB SER 42 1HB SER 42 -7.671 1.825 -4.469 236 2HB SER 42 2HB SER 42 -6.915 2.199 -6.015 237 HG SER 42 HG SER 42 -8.711 3.954 -5.894 238 H THR 43 H THR 43 -6.884 1.611 -7.656 239 HA THR 43 HA THR 43 -7.173 -1.203 -8.300 240 HB THR 43 HB THR 43 -7.323 -0.993 -10.582 241 HG1 THR 43 HG1 THR 43 -6.862 1.781 -10.595 242 1HG2 THR 43 1HG2 THR 43 -9.433 -0.360 -9.733 243 2HG2 THR 43 2HG2 THR 43 -9.068 0.717 -11.084 244 3HG2 THR 43 3HG2 THR 43 -8.888 1.290 -9.423 245 H ASP 44 H ASP 44 -5.151 1.152 -9.950 246 HA ASP 44 HA ASP 44 -2.823 -0.213 -10.010 247 1HB ASP 44 1HB ASP 44 -2.976 2.767 -9.534 248 2HB ASP 44 2HB ASP 44 -1.679 1.883 -10.333 249 H CYS 45 H CYS 45 -2.768 -1.378 -8.068 250 HA CYS 45 HA CYS 45 -1.416 0.055 -5.880 251 1HB CYS 45 1HB CYS 45 -3.666 -1.945 -5.673 252 2HB CYS 45 2HB CYS 45 -2.632 -1.517 -4.304 253 H ASN 46 H ASN 46 0.572 -0.756 -6.698 254 HA ASN 46 HA ASN 46 0.939 -3.640 -6.804 255 1HB ASN 46 1HB ASN 46 1.964 -2.225 -8.541 256 2HB ASN 46 2HB ASN 46 2.914 -1.400 -7.302 257 1HD2 ASN 46 1HD2 ASN 46 3.171 -3.561 -9.655 258 2HD2 ASN 46 2HD2 ASN 46 4.419 -4.578 -9.031 259 H THR 47 H THR 47 2.047 -0.878 -4.882 260 HA THR 47 HA THR 47 3.656 -2.569 -3.176 261 HB THR 47 HB THR 47 4.267 -0.553 -2.019 262 HG1 THR 47 HG1 THR 47 3.174 1.313 -2.213 263 1HG2 THR 47 1HG2 THR 47 4.598 -0.816 -4.798 264 2HG2 THR 47 2HG2 THR 47 5.596 0.085 -3.657 265 3HG2 THR 47 3HG2 THR 47 4.253 0.883 -4.476 266 H ALA 48 H ALA 48 0.407 -1.487 -3.256 267 HA ALA 48 HA ALA 48 -0.261 -1.314 -0.567 268 1HB ALA 48 1HB ALA 48 -2.485 -1.494 -1.216 269 2HB ALA 48 2HB ALA 48 -2.110 -2.584 -2.551 270 3HB ALA 48 3HB ALA 48 -1.691 -0.874 -2.664 271 H GLN 49 H GLN 49 -0.939 -2.767 0.981 272 HA GLN 49 HA GLN 49 -0.100 -5.536 0.529 273 1HB GLN 49 1HB GLN 49 -0.240 -3.747 2.883 274 2HB GLN 49 2HB GLN 49 -0.609 -5.440 3.179 275 1HG GLN 49 1HG GLN 49 1.629 -5.726 1.742 276 2HG GLN 49 2HG GLN 49 1.943 -4.149 2.465 277 1HE2 GLN 49 1HE2 GLN 49 3.604 -6.127 3.112 278 2HE2 GLN 49 2HE2 GLN 49 3.330 -6.674 4.727 279 H THR 50 H THR 50 -2.881 -3.861 0.241 280 HA THR 50 HA THR 50 -4.527 -6.126 0.219 281 HB THR 50 HB THR 50 -4.152 -5.710 2.733 282 HG1 THR 50 HG1 THR 50 -6.829 -5.780 1.816 283 1HG2 THR 50 1HG2 THR 50 -6.293 -3.651 2.325 284 2HG2 THR 50 2HG2 THR 50 -4.598 -3.255 2.617 285 3HG2 THR 50 3HG2 THR 50 -5.523 -4.135 3.836 286 H CYS 51 H CYS 51 -6.828 -5.569 -0.156 287 HA CYS 51 HA CYS 51 -7.572 -2.863 -0.667 288 1HB CYS 51 1HB CYS 51 -7.932 -3.277 -3.172 289 2HB CYS 51 2HB CYS 51 -6.278 -2.967 -2.634 290 H THR 52 H THR 52 -9.673 -2.999 -2.245 291 HA THR 52 HA THR 52 -11.232 -5.375 -1.579 292 HB THR 52 HB THR 52 -11.588 -3.813 0.287 293 HG1 THR 52 HG1 THR 52 -13.622 -4.339 0.331 294 1HG2 THR 52 1HG2 THR 52 -12.501 -1.696 0.100 295 2HG2 THR 52 2HG2 THR 52 -13.006 -1.953 -1.570 296 3HG2 THR 52 3HG2 THR 52 -11.298 -1.734 -1.189 297 H ASN 53 H ASN 53 -10.177 -3.726 -4.000 298 HA ASN 53 HA ASN 53 -12.004 -4.493 -5.887 299 1HB ASN 53 1HB ASN 53 -13.049 -2.295 -4.410 300 2HB ASN 53 2HB ASN 53 -12.651 -1.704 -6.024 301 1HD2 ASN 53 1HD2 ASN 53 -14.629 -3.864 -4.163 302 2HD2 ASN 53 2HD2 ASN 53 -15.742 -4.257 -5.426 303 H SER 54 H SER 54 -9.211 -4.162 -5.594 304 HA SER 54 HA SER 54 -8.497 -1.996 -7.421 305 1HB SER 54 1HB SER 54 -6.919 -3.820 -5.623 306 2HB SER 54 2HB SER 54 -6.120 -2.908 -6.909 307 HG SER 54 HG SER 54 -7.055 -2.055 -4.502 308 H LYS 55 H LYS 55 -6.465 -2.786 -8.855 309 HA LYS 55 HA LYS 55 -7.147 -5.298 -10.193 310 1HB LYS 55 1HB LYS 55 -6.895 -2.611 -11.557 311 2HB LYS 55 2HB LYS 55 -6.953 -4.153 -12.405 312 1HG LYS 55 1HG LYS 55 -9.181 -4.485 -11.931 313 2HG LYS 55 2HG LYS 55 -9.143 -3.439 -10.512 314 1HD LYS 55 1HD LYS 55 -10.167 -1.975 -11.889 315 2HD LYS 55 2HD LYS 55 -8.522 -1.659 -12.444 316 1HE LYS 55 1HE LYS 55 -9.271 -2.166 -14.484 317 2HE LYS 55 2HE LYS 55 -9.277 -3.843 -13.939 318 1HZ LYS 55 1HZ LYS 55 -11.643 -2.837 -13.027 319 2HZ LYS 55 2HZ LYS 55 -11.438 -3.808 -14.396 320 3HZ LYS 55 3HZ LYS 55 -11.479 -2.124 -14.553 321 H ASP 56 H ASP 56 -4.896 -4.051 -8.518 322 HA ASP 56 HA ASP 56 -2.753 -5.150 -10.132 323 1HB ASP 56 1HB ASP 56 -3.096 -2.306 -9.719 324 2HB ASP 56 2HB ASP 56 -1.560 -2.865 -9.050 325 H CYS 57 H CYS 57 -4.284 -5.600 -7.546 326 HA CYS 57 HA CYS 57 -2.360 -5.282 -5.450 327 1HB CYS 57 1HB CYS 57 -5.088 -6.411 -5.737 328 2HB CYS 57 2HB CYS 57 -4.103 -7.069 -4.430 329 H PHE 58 H PHE 58 -0.755 -6.416 -7.058 330 HA PHE 58 HA PHE 58 -0.881 -9.281 -7.129 331 1HB PHE 58 1HB PHE 58 1.653 -7.755 -7.623 332 2HB PHE 58 2HB PHE 58 1.058 -9.208 -8.416 333 HD1 PHE 58 HD1 PHE 58 1.194 -5.637 -8.415 334 HD2 PHE 58 HD2 PHE 58 -0.728 -9.047 -10.073 335 HE1 PHE 58 HE1 PHE 58 0.414 -4.276 -10.300 336 HE2 PHE 58 HE2 PHE 58 -1.516 -7.690 -11.960 337 HZ PHE 58 HZ PHE 58 -0.926 -5.322 -12.051 338 H GLU 59 H GLU 59 0.578 -6.872 -5.071 339 HA GLU 59 HA GLU 59 1.988 -8.954 -3.564 340 1HB GLU 59 1HB GLU 59 3.186 -6.864 -4.344 341 2HB GLU 59 2HB GLU 59 2.205 -5.970 -3.183 342 1HG GLU 59 1HG GLU 59 4.297 -6.391 -2.163 343 2HG GLU 59 2HG GLU 59 3.122 -7.458 -1.396 344 H ALA 60 H ALA 60 -0.922 -7.297 -3.493 345 HA ALA 60 HA ALA 60 -1.284 -6.625 -0.820 346 1HB ALA 60 1HB ALA 60 -3.266 -7.630 -2.847 347 2HB ALA 60 2HB ALA 60 -2.907 -5.954 -2.431 348 3HB ALA 60 3HB ALA 60 -3.717 -7.000 -1.262 349 H ASN 61 H ASN 61 -2.852 -7.785 0.673 350 HA ASN 61 HA ASN 61 -2.141 -10.642 0.787 351 1HB ASN 61 1HB ASN 61 -2.758 -8.793 3.101 352 2HB ASN 61 2HB ASN 61 -2.283 -10.485 3.218 353 1HD2 ASN 61 1HD2 ASN 61 -1.092 -7.823 4.084 354 2HD2 ASN 61 2HD2 ASN 61 0.551 -7.920 3.559 355 H THR 62 H THR 62 -4.678 -8.246 1.259 356 HA THR 62 HA THR 62 -6.642 -10.443 1.375 357 HB THR 62 HB THR 62 -7.589 -7.800 2.224 358 HG1 THR 62 HG1 THR 62 -5.697 -7.492 3.220 359 1HG2 THR 62 1HG2 THR 62 -8.754 -10.022 2.551 360 2HG2 THR 62 2HG2 THR 62 -8.654 -8.960 3.955 361 3HG2 THR 62 3HG2 THR 62 -7.564 -10.339 3.813 362 H CYS 63 H CYS 63 -7.095 -10.678 -0.770 363 HA CYS 63 HA CYS 63 -7.804 -8.302 -2.323 364 1HB CYS 63 1HB CYS 63 -7.143 -11.144 -3.056 365 2HB CYS 63 2HB CYS 63 -7.920 -10.062 -4.213 366 H THR 64 H THR 64 -9.852 -7.688 -2.147 367 HA THR 64 HA THR 64 -11.944 -9.756 -2.310 368 HB THR 64 HB THR 64 -13.198 -7.684 -1.032 369 HG1 THR 64 HG1 THR 64 -10.630 -7.889 0.141 370 1HG2 THR 64 1HG2 THR 64 -11.726 -9.741 0.562 371 2HG2 THR 64 2HG2 THR 64 -13.106 -10.169 -0.451 372 3HG2 THR 64 3HG2 THR 64 -13.303 -9.014 0.868 373 H ASP 65 H ASP 65 -12.594 -9.584 -4.381 374 HA ASP 65 HA ASP 65 -13.758 -8.734 -6.154 375 1HB ASP 65 1HB ASP 65 -13.880 -6.043 -4.802 376 2HB ASP 65 2HB ASP 65 -14.992 -6.726 -5.992 377 H SER 66 H SER 66 -10.834 -8.552 -5.733 378 HA SER 66 HA SER 66 -10.257 -6.396 -7.659 379 1HB SER 66 1HB SER 66 -8.244 -7.534 -5.716 380 2HB SER 66 2HB SER 66 -8.128 -6.045 -6.662 381 HG SER 66 HG SER 66 -8.908 -6.187 -4.231 382 H THR 67 H THR 67 -8.924 -6.882 -9.399 383 HA THR 67 HA THR 67 -8.524 -9.757 -9.855 384 HB THR 67 HB THR 67 -9.845 -8.969 -11.601 385 HG1 THR 67 HG1 THR 67 -7.252 -8.531 -12.648 386 1HG2 THR 67 1HG2 THR 67 -8.168 -6.486 -11.581 387 2HG2 THR 67 2HG2 THR 67 -9.903 -6.647 -11.307 388 3HG2 THR 67 3HG2 THR 67 -9.237 -6.906 -12.919 389 H ASN 68 H ASN 68 -6.615 -10.468 -10.982 390 HA ASN 68 HA ASN 68 -4.372 -10.598 -11.335 391 1HB ASN 68 1HB ASN 68 -4.974 -7.766 -11.714 392 2HB ASN 68 2HB ASN 68 -3.318 -8.038 -11.168 393 1HD2 ASN 68 1HD2 ASN 68 -4.499 -7.174 -13.769 394 2HD2 ASN 68 2HD2 ASN 68 -3.811 -8.242 -14.941 395 H CYS 69 H CYS 69 -4.902 -11.381 -8.944 396 HA CYS 69 HA CYS 69 -3.166 -9.887 -7.098 397 1HB CYS 69 1HB CYS 69 -5.514 -11.710 -6.637 398 2HB CYS 69 2HB CYS 69 -4.345 -11.391 -5.351 399 H TYR 70 H TYR 70 -1.328 -10.860 -8.186 400 HA TYR 70 HA TYR 70 -0.840 -13.597 -8.355 401 1HB TYR 70 1HB TYR 70 0.913 -11.169 -8.289 402 2HB TYR 70 2HB TYR 70 1.645 -12.773 -8.217 403 HD1 TYR 70 HD1 TYR 70 -1.120 -11.194 -10.189 404 HD2 TYR 70 HD2 TYR 70 2.473 -13.471 -10.245 405 HE1 TYR 70 HE1 TYR 70 -1.280 -11.373 -12.637 406 HE2 TYR 70 HE2 TYR 70 2.326 -13.655 -12.692 407 HH TYR 70 HH TYR 70 1.303 -12.540 -14.566 408 H LYS 71 H LYS 71 -1.443 -14.638 -6.502 409 HA LYS 71 HA LYS 71 -0.871 -15.807 -4.611 410 1HB LYS 71 1HB LYS 71 1.538 -14.970 -5.200 411 2HB LYS 71 2HB LYS 71 1.265 -13.838 -3.875 412 1HG LYS 71 1HG LYS 71 1.069 -15.572 -2.299 413 2HG LYS 71 2HG LYS 71 0.897 -16.801 -3.554 414 1HD LYS 71 1HD LYS 71 3.120 -16.905 -2.601 415 2HD LYS 71 2HD LYS 71 3.213 -16.348 -4.273 416 1HE LYS 71 1HE LYS 71 3.960 -14.300 -3.686 417 2HE LYS 71 2HE LYS 71 2.951 -14.233 -2.242 418 1HZ LYS 71 1HZ LYS 71 4.504 -15.493 -1.033 419 2HZ LYS 71 2HZ LYS 71 5.421 -14.345 -1.869 420 3HZ LYS 71 3HZ LYS 71 5.363 -15.942 -2.420 421 H ALA 72 H ALA 72 -2.947 -15.006 -3.966 422 HA ALA 72 HA ALA 72 -2.754 -13.068 -1.756 423 1HB ALA 72 1HB ALA 72 -4.168 -11.744 -2.851 424 2HB ALA 72 2HB ALA 72 -5.399 -12.991 -2.649 425 3HB ALA 72 3HB ALA 72 -4.414 -12.952 -4.111 426 H THR 73 H THR 73 -3.775 -13.620 0.132 427 HA THR 73 HA THR 73 -4.457 -16.381 0.471 428 HB THR 73 HB THR 73 -3.275 -15.090 2.213 429 HG1 THR 73 HG1 THR 73 -4.449 -16.896 2.871 430 1HG2 THR 73 1HG2 THR 73 -3.963 -13.077 2.799 431 2HG2 THR 73 2HG2 THR 73 -5.350 -13.834 3.582 432 3HG2 THR 73 3HG2 THR 73 -5.475 -13.276 1.915 433 H ALA 74 H ALA 74 -6.224 -13.410 0.052 434 HA ALA 74 HA ALA 74 -8.750 -14.879 0.441 435 1HB ALA 74 1HB ALA 74 -9.558 -12.320 0.457 436 2HB ALA 74 2HB ALA 74 -7.922 -12.118 1.083 437 3HB ALA 74 3HB ALA 74 -9.056 -13.186 1.909 438 H CYS 75 H CYS 75 -10.002 -15.213 -1.288 439 HA CYS 75 HA CYS 75 -9.784 -13.418 -3.584 440 1HB CYS 75 1HB CYS 75 -8.260 -15.482 -3.821 441 2HB CYS 75 2HB CYS 75 -9.757 -16.395 -4.024 442 H THR 76 H THR 76 -11.862 -12.738 -2.778 443 HA THR 76 HA THR 76 -14.042 -14.665 -3.098 444 HB THR 76 HB THR 76 -14.162 -11.809 -2.107 445 HG1 THR 76 HG1 THR 76 -13.435 -12.551 -0.305 446 1HG2 THR 76 1HG2 THR 76 -16.135 -14.064 -1.851 447 2HG2 THR 76 2HG2 THR 76 -16.330 -12.601 -2.815 448 3HG2 THR 76 3HG2 THR 76 -16.262 -12.495 -1.056 449 H ASN 77 H ASN 77 -14.167 -14.861 -5.331 450 HA ASN 77 HA ASN 77 -14.859 -14.350 -7.440 451 1HB ASN 77 1HB ASN 77 -16.864 -13.488 -6.247 452 2HB ASN 77 2HB ASN 77 -16.091 -11.904 -6.142 453 1HD2 ASN 77 1HD2 ASN 77 -16.442 -14.319 -8.724 454 2HD2 ASN 77 2HD2 ASN 77 -17.117 -13.229 -9.882 455 H SER 78 H SER 78 -12.282 -13.616 -6.669 456 HA SER 78 HA SER 78 -11.852 -11.090 -8.121 457 1HB SER 78 1HB SER 78 -10.544 -12.315 -5.748 458 2HB SER 78 2HB SER 78 -9.508 -11.422 -6.867 459 HG SER 78 HG SER 78 -10.882 -10.373 -4.988 460 H SER 79 H SER 79 -10.003 -10.955 -9.518 461 HA SER 79 HA SER 79 -9.450 -13.496 -10.849 462 1HB SER 79 1HB SER 79 -9.977 -10.926 -11.798 463 2HB SER 79 2HB SER 79 -8.259 -11.174 -12.103 464 HG SER 79 HG SER 79 -10.467 -12.454 -13.192 465 H GLY 80 H GLY 80 -7.287 -14.028 -11.551 466 1HA GLY 80 1HA GLY 80 -4.974 -14.096 -11.359 467 2HA GLY 80 2HA GLY 80 -5.049 -12.674 -10.323 468 H CYS 81 H CYS 81 -6.641 -13.493 -8.272 469 HA CYS 81 HA CYS 81 -4.859 -15.263 -6.852 470 1HB CYS 81 1HB CYS 81 -6.446 -14.824 -4.933 471 2HB CYS 81 2HB CYS 81 -5.680 -13.390 -5.615 472 HA PRO 82 HA PRO 82 -6.793 -19.213 -6.916 473 1HB PRO 82 1HB PRO 82 -7.685 -18.747 -4.094 474 2HB PRO 82 2HB PRO 82 -6.900 -20.167 -4.807 475 1HG PRO 82 1HG PRO 82 -5.490 -18.450 -3.352 476 2HG PRO 82 2HG PRO 82 -4.804 -19.161 -4.824 477 1HD PRO 82 1HD PRO 82 -5.827 -16.410 -4.348 478 2HD PRO 82 2HD PRO 82 -4.526 -16.960 -5.421 479 H GLY 83 H GLY 83 -8.453 -18.699 -8.364 480 1HA GLY 83 1HA GLY 83 -11.048 -19.234 -7.635 481 2HA GLY 83 2HA GLY 83 -10.906 -17.485 -7.531 482 H HIS 84 H HIS 84 -9.446 -19.766 -9.816 483 HA HIS 84 HA HIS 84 -10.068 -18.104 -12.047 484 1HB HIS 84 1HB HIS 84 -9.286 -20.986 -12.333 485 2HB HIS 84 2HB HIS 84 -8.845 -19.611 -13.339 486 HD1 HIS 84 HD1 HIS 84 -7.255 -17.789 -11.909 487 HD2 HIS 84 HD2 HIS 84 -7.262 -21.774 -10.734 488 HE1 HIS 84 HE1 HIS 84 -5.160 -18.093 -10.552 489 HE2 HIS 84 HE2 HIS 84 -5.244 -20.482 -9.759 Start of MODEL 6 1 1H GLN 1 1H GLN 1 -9.027 21.866 3.551 2 2H GLN 1 2H GLN 1 -8.357 22.131 1.993 3 3H GLN 1 3H GLN 1 -7.344 22.147 3.378 4 HA GLN 1 HA GLN 1 -8.091 19.807 3.755 5 1HB GLN 1 1HB GLN 1 -9.739 20.485 1.615 6 2HB GLN 1 2HB GLN 1 -8.518 19.445 0.898 7 1HG GLN 1 1HG GLN 1 -10.360 18.092 1.564 8 2HG GLN 1 2HG GLN 1 -9.010 17.756 2.647 9 1HE2 GLN 1 1HE2 GLN 1 -11.825 17.300 3.093 10 2HE2 GLN 1 2HE2 GLN 1 -12.260 18.215 4.492 11 H CYS 2 H CYS 2 -7.042 18.078 1.933 12 HA CYS 2 HA CYS 2 -4.654 19.131 0.731 13 1HB CYS 2 1HB CYS 2 -3.926 19.068 3.059 14 2HB CYS 2 2HB CYS 2 -4.422 17.385 3.191 15 H THR 3 H THR 3 -6.280 17.988 -0.799 16 HA THR 3 HA THR 3 -5.072 15.533 -1.597 17 HB THR 3 HB THR 3 -6.469 14.551 0.092 18 HG1 THR 3 HG1 THR 3 -7.769 14.221 -2.404 19 1HG2 THR 3 1HG2 THR 3 -8.631 15.018 0.547 20 2HG2 THR 3 2HG2 THR 3 -9.012 15.442 -1.121 21 3HG2 THR 3 3HG2 THR 3 -8.153 16.590 -0.092 22 H GLY 4 H GLY 4 -8.037 17.484 -1.882 23 1HA GLY 4 1HA GLY 4 -8.537 18.723 -3.866 24 2HA GLY 4 2HA GLY 4 -7.587 17.560 -4.788 25 H GLY 5 H GLY 5 -9.799 17.980 -5.988 26 1HA GLY 5 1HA GLY 5 -11.719 15.935 -5.065 27 2HA GLY 5 2HA GLY 5 -12.158 17.339 -6.028 28 H ALA 6 H ALA 6 -10.304 17.328 -8.020 29 HA ALA 6 HA ALA 6 -10.780 14.736 -9.343 30 1HB ALA 6 1HB ALA 6 -11.475 15.756 -11.230 31 2HB ALA 6 2HB ALA 6 -10.349 17.100 -11.046 32 3HB ALA 6 3HB ALA 6 -11.853 17.078 -10.126 33 H ASP 7 H ASP 7 -8.560 17.461 -8.988 34 HA ASP 7 HA ASP 7 -6.400 15.738 -10.014 35 1HB ASP 7 1HB ASP 7 -5.246 17.932 -10.598 36 2HB ASP 7 2HB ASP 7 -6.637 17.493 -11.592 37 H CYS 8 H CYS 8 -4.341 15.941 -9.015 38 HA CYS 8 HA CYS 8 -4.525 16.798 -6.215 39 1HB CYS 8 1HB CYS 8 -2.269 15.161 -7.341 40 2HB CYS 8 2HB CYS 8 -2.884 15.210 -5.686 41 H THR 9 H THR 9 -3.985 18.916 -6.146 42 HA THR 9 HA THR 9 -2.149 20.231 -7.782 43 HB THR 9 HB THR 9 -2.182 22.019 -6.112 44 HG1 THR 9 HG1 THR 9 -2.326 21.430 -4.117 45 1HG2 THR 9 1HG2 THR 9 -4.128 22.466 -7.091 46 2HG2 THR 9 2HG2 THR 9 -4.858 21.765 -5.646 47 3HG2 THR 9 3HG2 THR 9 -4.625 20.773 -7.086 48 H SER 10 H SER 10 -1.604 19.584 -4.319 49 HA SER 10 HA SER 10 0.954 18.389 -4.783 50 1HB SER 10 1HB SER 10 0.763 21.284 -4.202 51 2HB SER 10 2HB SER 10 1.939 20.388 -3.242 52 HG SER 10 HG SER 10 2.243 21.263 -5.684 53 H CYS 11 H CYS 11 -0.466 16.907 -3.522 54 HA CYS 11 HA CYS 11 0.138 17.200 -0.690 55 1HB CYS 11 1HB CYS 11 -2.577 17.329 -1.835 56 2HB CYS 11 2HB CYS 11 -2.395 16.224 -0.477 57 H THR 12 H THR 12 0.768 15.320 0.183 58 HA THR 12 HA THR 12 0.245 12.865 -1.360 59 HB THR 12 HB THR 12 2.571 13.314 -1.478 60 HG1 THR 12 HG1 THR 12 3.432 11.572 -0.256 61 1HG2 THR 12 1HG2 THR 12 3.621 13.266 1.070 62 2HG2 THR 12 2HG2 THR 12 2.242 14.358 1.198 63 3HG2 THR 12 3HG2 THR 12 3.504 14.668 0.006 64 H GLY 13 H GLY 13 -0.080 14.408 1.699 65 1HA GLY 13 1HA GLY 13 -0.043 12.554 3.633 66 2HA GLY 13 2HA GLY 13 -1.364 13.703 3.505 67 H ALA 14 H ALA 14 -3.144 13.020 1.945 68 HA ALA 14 HA ALA 14 -3.487 10.101 1.921 69 1HB ALA 14 1HB ALA 14 -4.645 11.019 3.901 70 2HB ALA 14 2HB ALA 14 -5.750 10.275 2.745 71 3HB ALA 14 3HB ALA 14 -5.618 12.032 2.834 72 H CYS 15 H CYS 15 -4.132 9.369 -0.001 73 HA CYS 15 HA CYS 15 -4.860 11.267 -2.068 74 1HB CYS 15 1HB CYS 15 -3.388 8.963 -2.100 75 2HB CYS 15 2HB CYS 15 -4.932 8.395 -2.723 76 H THR 16 H THR 16 -6.900 11.806 -0.943 77 HA THR 16 HA THR 16 -9.001 9.789 -1.258 78 HB THR 16 HB THR 16 -9.184 12.486 0.090 79 HG1 THR 16 HG1 THR 16 -8.128 11.604 1.651 80 1HG2 THR 16 1HG2 THR 16 -10.981 10.091 0.057 81 2HG2 THR 16 2HG2 THR 16 -11.371 11.772 -0.305 82 3HG2 THR 16 3HG2 THR 16 -11.029 11.285 1.355 83 H GLY 17 H GLY 17 -10.271 9.836 -2.983 84 1HA GLY 17 1HA GLY 17 -11.325 10.569 -4.889 85 2HA GLY 17 2HA GLY 17 -11.564 12.077 -4.009 86 H CYS 18 H CYS 18 -8.574 10.532 -5.155 87 HA CYS 18 HA CYS 18 -8.123 12.885 -6.872 88 1HB CYS 18 1HB CYS 18 -6.650 12.211 -4.604 89 2HB CYS 18 2HB CYS 18 -5.663 11.630 -5.948 90 H GLY 19 H GLY 19 -7.838 12.402 -8.946 91 1HA GLY 19 1HA GLY 19 -7.978 9.834 -9.996 92 2HA GLY 19 2HA GLY 19 -7.361 11.237 -10.866 93 H ASN 20 H ASN 20 -5.159 11.646 -8.964 94 HA ASN 20 HA ASN 20 -3.519 9.274 -9.553 95 1HB ASN 20 1HB ASN 20 -3.225 11.415 -11.063 96 2HB ASN 20 2HB ASN 20 -2.299 12.003 -9.686 97 1HD2 ASN 20 1HD2 ASN 20 -2.414 9.797 -12.326 98 2HD2 ASN 20 2HD2 ASN 20 -0.800 9.198 -12.175 99 H CYS 21 H CYS 21 -1.321 9.501 -8.331 100 HA CYS 21 HA CYS 21 -1.686 10.766 -5.721 101 1HB CYS 21 1HB CYS 21 -1.012 7.844 -6.112 102 2HB CYS 21 2HB CYS 21 -0.927 8.698 -4.570 103 HA PRO 22 HA PRO 22 2.570 11.704 -6.598 104 1HB PRO 22 1HB PRO 22 3.144 13.030 -4.299 105 2HB PRO 22 2HB PRO 22 2.206 13.736 -5.614 106 1HG PRO 22 1HG PRO 22 1.294 12.655 -3.005 107 2HG PRO 22 2HG PRO 22 0.626 13.975 -3.975 108 1HD PRO 22 1HD PRO 22 -0.394 11.390 -3.829 109 2HD PRO 22 2HD PRO 22 -0.767 12.578 -5.090 110 H ASN 23 H ASN 23 2.580 11.311 -3.075 111 HA ASN 23 HA ASN 23 4.050 8.797 -3.326 112 1HB ASN 23 1HB ASN 23 5.149 10.790 -1.395 113 2HB ASN 23 2HB ASN 23 5.969 9.482 -2.251 114 1HD2 ASN 23 1HD2 ASN 23 4.379 12.589 -2.810 115 2HD2 ASN 23 2HD2 ASN 23 5.444 13.107 -4.069 116 H ALA 24 H ALA 24 1.394 9.784 -2.340 117 HA ALA 24 HA ALA 24 1.138 9.846 0.390 118 1HB ALA 24 1HB ALA 24 -0.616 9.952 -1.586 119 2HB ALA 24 2HB ALA 24 -1.100 9.553 0.063 120 3HB ALA 24 3HB ALA 24 -0.872 8.270 -1.125 121 H VAL 25 H VAL 25 0.569 8.289 1.973 122 HA VAL 25 HA VAL 25 1.858 5.694 1.507 123 HB VAL 25 HB VAL 25 2.751 7.013 3.371 124 1HG1 VAL 25 1HG1 VAL 25 1.234 7.153 5.441 125 2HG1 VAL 25 2HG1 VAL 25 -0.098 6.941 4.303 126 3HG1 VAL 25 3HG1 VAL 25 0.986 8.323 4.145 127 1HG2 VAL 25 1HG2 VAL 25 1.365 4.829 4.804 128 2HG2 VAL 25 2HG2 VAL 25 3.085 5.204 4.693 129 3HG2 VAL 25 3HG2 VAL 25 2.275 4.376 3.363 130 H THR 26 H THR 26 -1.187 7.179 2.337 131 HA THR 26 HA THR 26 -2.481 4.578 2.091 132 HB THR 26 HB THR 26 -3.548 6.231 4.297 133 HG1 THR 26 HG1 THR 26 -1.914 5.996 5.612 134 1HG2 THR 26 1HG2 THR 26 -4.362 4.302 5.077 135 2HG2 THR 26 2HG2 THR 26 -2.875 3.415 4.739 136 3HG2 THR 26 3HG2 THR 26 -4.037 3.715 3.446 137 H CYS 27 H CYS 27 -4.493 4.672 1.180 138 HA CYS 27 HA CYS 27 -5.798 7.265 0.898 139 1HB CYS 27 1HB CYS 27 -6.140 6.698 -1.597 140 2HB CYS 27 2HB CYS 27 -4.582 7.355 -1.097 141 H THR 28 H THR 28 -7.984 7.175 0.666 142 HA THR 28 HA THR 28 -9.207 4.533 1.009 143 HB THR 28 HB THR 28 -10.624 7.181 1.256 144 HG1 THR 28 HG1 THR 28 -10.080 7.089 3.486 145 1HG2 THR 28 1HG2 THR 28 -11.484 4.551 1.561 146 2HG2 THR 28 2HG2 THR 28 -12.331 6.022 2.044 147 3HG2 THR 28 3HG2 THR 28 -11.300 5.178 3.199 148 H ASN 29 H ASN 29 -9.309 3.757 -1.093 149 HA ASN 29 HA ASN 29 -10.287 3.366 -3.065 150 1HB ASN 29 1HB ASN 29 -11.867 5.925 -2.765 151 2HB ASN 29 2HB ASN 29 -12.281 4.494 -3.711 152 1HD2 ASN 29 1HD2 ASN 29 -12.439 6.036 -0.666 153 2HD2 ASN 29 2HD2 ASN 29 -13.329 4.810 0.164 154 H SER 30 H SER 30 -11.077 5.570 -4.825 155 HA SER 30 HA SER 30 -10.216 7.180 -6.232 156 1HB SER 30 1HB SER 30 -8.683 7.591 -3.985 157 2HB SER 30 2HB SER 30 -7.463 7.202 -5.197 158 HG SER 30 HG SER 30 -7.958 8.970 -6.294 159 H GLN 31 H GLN 31 -7.545 7.278 -7.259 160 HA GLN 31 HA GLN 31 -7.077 4.572 -8.264 161 1HB GLN 31 1HB GLN 31 -6.760 5.774 -10.585 162 2HB GLN 31 2HB GLN 31 -8.353 5.233 -10.060 163 1HG GLN 31 1HG GLN 31 -7.731 7.939 -9.189 164 2HG GLN 31 2HG GLN 31 -7.696 7.750 -10.942 165 1HE2 GLN 31 1HE2 GLN 31 -9.637 5.944 -11.416 166 2HE2 GLN 31 2HE2 GLN 31 -11.174 6.559 -10.924 167 H HIS 32 H HIS 32 -5.022 4.418 -9.499 168 HA HIS 32 HA HIS 32 -2.776 4.707 -9.687 169 1HB HIS 32 1HB HIS 32 -3.793 7.120 -10.300 170 2HB HIS 32 2HB HIS 32 -2.842 7.559 -8.878 171 HD1 HIS 32 HD1 HIS 32 -0.229 7.007 -9.034 172 HD2 HIS 32 HD2 HIS 32 -2.351 6.783 -12.598 173 HE1 HIS 32 HE1 HIS 32 1.506 7.055 -10.852 174 HE2 HIS 32 HE2 HIS 32 0.189 7.047 -13.001 175 H CYS 33 H CYS 33 -3.814 3.859 -7.179 176 HA CYS 33 HA CYS 33 -2.079 5.183 -5.220 177 1HB CYS 33 1HB CYS 33 -4.527 3.499 -5.058 178 2HB CYS 33 2HB CYS 33 -3.367 3.357 -3.736 179 H VAL 34 H VAL 34 -0.963 3.573 -7.313 180 HA VAL 34 HA VAL 34 -0.368 0.952 -6.673 181 HB VAL 34 HB VAL 34 0.234 2.065 -8.807 182 1HG1 VAL 34 1HG1 VAL 34 1.141 4.140 -7.858 183 2HG1 VAL 34 2HG1 VAL 34 2.283 3.373 -8.961 184 3HG1 VAL 34 3HG1 VAL 34 2.518 3.241 -7.216 185 1HG2 VAL 34 1HG2 VAL 34 1.201 -0.050 -8.495 186 2HG2 VAL 34 2HG2 VAL 34 2.330 0.550 -7.279 187 3HG2 VAL 34 3HG2 VAL 34 2.543 0.990 -8.974 188 H LYS 35 H LYS 35 1.220 3.909 -5.576 189 HA LYS 35 HA LYS 35 3.050 2.329 -3.940 190 1HB LYS 35 1HB LYS 35 4.394 4.252 -3.767 191 2HB LYS 35 2HB LYS 35 3.820 4.247 -5.423 192 1HG LYS 35 1HG LYS 35 1.906 5.746 -4.244 193 2HG LYS 35 2HG LYS 35 3.306 6.154 -3.251 194 1HD LYS 35 1HD LYS 35 4.012 7.534 -4.844 195 2HD LYS 35 2HD LYS 35 4.161 6.166 -5.947 196 1HE LYS 35 1HE LYS 35 1.547 7.572 -5.476 197 2HE LYS 35 2HE LYS 35 2.697 8.115 -6.696 198 1HZ LYS 35 1HZ LYS 35 1.478 6.711 -7.959 199 2HZ LYS 35 2HZ LYS 35 1.015 5.733 -6.658 200 3HZ LYS 35 3HZ LYS 35 2.556 5.564 -7.337 201 H ALA 36 H ALA 36 0.258 2.446 -3.245 202 HA ALA 36 HA ALA 36 0.323 4.033 -0.768 203 1HB ALA 36 1HB ALA 36 -2.032 2.845 -2.234 204 2HB ALA 36 2HB ALA 36 -1.560 4.544 -2.212 205 3HB ALA 36 3HB ALA 36 -2.123 3.766 -0.733 206 H ASN 37 H ASN 37 0.267 3.064 1.183 207 HA ASN 37 HA ASN 37 0.900 0.342 1.446 208 1HB ASN 37 1HB ASN 37 1.206 2.363 3.099 209 2HB ASN 37 2HB ASN 37 -0.368 1.850 3.702 210 1HD2 ASN 37 1HD2 ASN 37 -0.575 -0.221 4.621 211 2HD2 ASN 37 2HD2 ASN 37 0.799 -1.066 5.240 212 H THR 38 H THR 38 -2.146 2.070 2.060 213 HA THR 38 HA THR 38 -3.559 -0.487 1.732 214 HB THR 38 HB THR 38 -4.692 1.543 3.596 215 HG1 THR 38 HG1 THR 38 -2.557 -0.204 4.243 216 1HG2 THR 38 1HG2 THR 38 -4.556 -1.355 4.188 217 2HG2 THR 38 2HG2 THR 38 -5.635 -0.819 2.899 218 3HG2 THR 38 3HG2 THR 38 -5.827 -0.183 4.533 219 H CYS 39 H CYS 39 -5.075 -0.422 0.212 220 HA CYS 39 HA CYS 39 -6.366 2.138 -0.404 221 1HB CYS 39 1HB CYS 39 -6.218 1.113 -2.895 222 2HB CYS 39 2HB CYS 39 -5.028 2.238 -2.237 223 H THR 40 H THR 40 -8.313 1.555 0.453 224 HA THR 40 HA THR 40 -9.553 -0.947 -0.388 225 HB THR 40 HB THR 40 -10.693 1.157 1.454 226 HG1 THR 40 HG1 THR 40 -9.024 -1.053 2.040 227 1HG2 THR 40 1HG2 THR 40 -11.231 -1.787 1.518 228 2HG2 THR 40 2HG2 THR 40 -12.187 -0.684 0.529 229 3HG2 THR 40 3HG2 THR 40 -12.134 -0.479 2.281 230 H GLY 41 H GLY 41 -10.707 -0.987 -2.208 231 1HA GLY 41 1HA GLY 41 -12.303 -0.375 -3.771 232 2HA GLY 41 2HA GLY 41 -12.717 0.983 -2.738 233 H SER 42 H SER 42 -9.746 0.039 -4.456 234 HA SER 42 HA SER 42 -9.926 2.578 -5.911 235 1HB SER 42 1HB SER 42 -8.243 2.316 -3.771 236 2HB SER 42 2HB SER 42 -7.199 1.754 -5.075 237 HG SER 42 HG SER 42 -6.887 3.801 -5.397 238 H THR 43 H THR 43 -7.815 2.435 -7.539 239 HA THR 43 HA THR 43 -7.629 -0.304 -8.486 240 HB THR 43 HB THR 43 -8.395 0.010 -10.577 241 HG1 THR 43 HG1 THR 43 -7.556 1.830 -11.373 242 1HG2 THR 43 1HG2 THR 43 -10.580 1.296 -10.391 243 2HG2 THR 43 2HG2 THR 43 -10.101 1.609 -8.718 244 3HG2 THR 43 3HG2 THR 43 -10.316 -0.050 -9.282 245 H ASP 44 H ASP 44 -5.667 -0.180 -7.742 246 HA ASP 44 HA ASP 44 -3.506 -0.142 -9.236 247 1HB ASP 44 1HB ASP 44 -4.285 2.680 -8.796 248 2HB ASP 44 2HB ASP 44 -2.583 2.317 -8.526 249 H CYS 45 H CYS 45 -2.798 -1.553 -7.669 250 HA CYS 45 HA CYS 45 -1.613 -0.352 -5.305 251 1HB CYS 45 1HB CYS 45 -3.624 -2.604 -5.108 252 2HB CYS 45 2HB CYS 45 -2.671 -1.956 -3.769 253 H ASN 46 H ASN 46 0.216 -0.997 -6.737 254 HA ASN 46 HA ASN 46 0.758 -3.830 -6.956 255 1HB ASN 46 1HB ASN 46 1.418 -2.237 -8.745 256 2HB ASN 46 2HB ASN 46 2.550 -1.484 -7.617 257 1HD2 ASN 46 1HD2 ASN 46 2.477 -3.415 -10.152 258 2HD2 ASN 46 2HD2 ASN 46 3.809 -4.463 -9.814 259 H THR 47 H THR 47 1.650 -1.172 -4.880 260 HA THR 47 HA THR 47 3.629 -2.860 -3.519 261 HB THR 47 HB THR 47 4.520 -0.877 -2.550 262 HG1 THR 47 HG1 THR 47 2.964 0.440 -1.963 263 1HG2 THR 47 1HG2 THR 47 5.325 -0.969 -4.742 264 2HG2 THR 47 2HG2 THR 47 4.779 0.694 -4.523 265 3HG2 THR 47 3HG2 THR 47 3.783 -0.451 -5.423 266 H ALA 48 H ALA 48 0.493 -1.440 -3.143 267 HA ALA 48 HA ALA 48 0.213 -1.298 -0.395 268 1HB ALA 48 1HB ALA 48 -1.983 -0.979 -0.797 269 2HB ALA 48 2HB ALA 48 -2.105 -2.383 -1.857 270 3HB ALA 48 3HB ALA 48 -1.438 -0.868 -2.471 271 H GLN 49 H GLN 49 -0.258 -2.715 1.232 272 HA GLN 49 HA GLN 49 0.341 -5.500 0.728 273 1HB GLN 49 1HB GLN 49 0.296 -5.745 3.151 274 2HB GLN 49 2HB GLN 49 1.276 -4.359 2.693 275 1HG GLN 49 1HG GLN 49 0.080 -3.517 4.455 276 2HG GLN 49 2HG GLN 49 -0.913 -3.017 3.087 277 1HE2 GLN 49 1HE2 GLN 49 -2.676 -2.860 4.553 278 2HE2 GLN 49 2HE2 GLN 49 -3.535 -4.274 5.051 279 H THR 50 H THR 50 -2.412 -3.750 0.420 280 HA THR 50 HA THR 50 -4.087 -5.980 0.213 281 HB THR 50 HB THR 50 -3.779 -5.670 2.779 282 HG1 THR 50 HG1 THR 50 -6.390 -5.817 1.684 283 1HG2 THR 50 1HG2 THR 50 -4.350 -3.203 2.648 284 2HG2 THR 50 2HG2 THR 50 -5.161 -4.156 3.894 285 3HG2 THR 50 3HG2 THR 50 -6.020 -3.723 2.414 286 H CYS 51 H CYS 51 -6.315 -5.385 -0.315 287 HA CYS 51 HA CYS 51 -7.235 -2.755 -0.508 288 1HB CYS 51 1HB CYS 51 -7.045 -2.807 -3.181 289 2HB CYS 51 2HB CYS 51 -5.831 -2.039 -2.156 290 H THR 52 H THR 52 -9.102 -2.575 -2.114 291 HA THR 52 HA THR 52 -10.326 -5.143 -2.758 292 HB THR 52 HB THR 52 -11.065 -4.552 -0.448 293 HG1 THR 52 HG1 THR 52 -12.417 -5.689 -2.016 294 1HG2 THR 52 1HG2 THR 52 -11.104 -2.122 -0.627 295 2HG2 THR 52 2HG2 THR 52 -12.664 -2.763 -0.114 296 3HG2 THR 52 3HG2 THR 52 -12.435 -2.229 -1.779 297 H ASN 53 H ASN 53 -11.736 -5.057 -4.478 298 HA ASN 53 HA ASN 53 -12.626 -4.265 -6.418 299 1HB ASN 53 1HB ASN 53 -13.120 -2.035 -4.486 300 2HB ASN 53 2HB ASN 53 -13.458 -1.767 -6.199 301 1HD2 ASN 53 1HD2 ASN 53 -14.121 -3.973 -3.520 302 2HD2 ASN 53 2HD2 ASN 53 -15.709 -4.409 -4.040 303 H SER 54 H SER 54 -9.818 -4.159 -6.151 304 HA SER 54 HA SER 54 -9.112 -1.691 -7.597 305 1HB SER 54 1HB SER 54 -7.876 -2.951 -5.416 306 2HB SER 54 2HB SER 54 -6.835 -3.301 -6.801 307 HG SER 54 HG SER 54 -6.121 -1.369 -6.254 308 H LYS 55 H LYS 55 -6.948 -2.286 -8.986 309 HA LYS 55 HA LYS 55 -7.532 -4.719 -10.527 310 1HB LYS 55 1HB LYS 55 -7.552 -1.904 -11.457 311 2HB LYS 55 2HB LYS 55 -6.823 -3.090 -12.533 312 1HG LYS 55 1HG LYS 55 -9.099 -4.374 -11.931 313 2HG LYS 55 2HG LYS 55 -9.643 -2.703 -11.770 314 1HD LYS 55 1HD LYS 55 -8.629 -2.280 -14.042 315 2HD LYS 55 2HD LYS 55 -8.421 -4.027 -14.183 316 1HE LYS 55 1HE LYS 55 -10.464 -3.383 -15.283 317 2HE LYS 55 2HE LYS 55 -10.854 -4.304 -13.831 318 1HZ LYS 55 1HZ LYS 55 -11.635 -2.446 -12.754 319 2HZ LYS 55 2HZ LYS 55 -12.120 -2.125 -14.343 320 3HZ LYS 55 3HZ LYS 55 -10.749 -1.366 -13.709 321 H ASP 56 H ASP 56 -5.330 -3.639 -8.625 322 HA ASP 56 HA ASP 56 -3.161 -4.747 -10.191 323 1HB ASP 56 1HB ASP 56 -3.390 -1.897 -9.644 324 2HB ASP 56 2HB ASP 56 -1.868 -2.578 -9.062 325 H CYS 57 H CYS 57 -4.757 -5.294 -7.684 326 HA CYS 57 HA CYS 57 -3.009 -5.005 -5.463 327 1HB CYS 57 1HB CYS 57 -5.377 -6.821 -5.949 328 2HB CYS 57 2HB CYS 57 -4.538 -6.703 -4.403 329 H PHE 58 H PHE 58 -1.209 -5.901 -7.116 330 HA PHE 58 HA PHE 58 -0.965 -8.649 -7.541 331 1HB PHE 58 1HB PHE 58 1.183 -6.551 -7.250 332 2HB PHE 58 2HB PHE 58 1.450 -8.171 -7.866 333 HD1 PHE 58 HD1 PHE 58 1.222 -4.963 -8.799 334 HD2 PHE 58 HD2 PHE 58 -0.472 -8.749 -9.731 335 HE1 PHE 58 HE1 PHE 58 0.717 -4.173 -11.066 336 HE2 PHE 58 HE2 PHE 58 -0.983 -7.964 -12.002 337 HZ PHE 58 HZ PHE 58 -0.373 -5.685 -12.638 338 H GLU 59 H GLU 59 0.870 -6.745 -5.133 339 HA GLU 59 HA GLU 59 1.291 -9.197 -3.603 340 1HB GLU 59 1HB GLU 59 3.027 -8.020 -2.438 341 2HB GLU 59 2HB GLU 59 3.218 -7.710 -4.163 342 1HG GLU 59 1HG GLU 59 3.277 -5.552 -3.702 343 2HG GLU 59 2HG GLU 59 1.584 -5.653 -3.220 344 H ALA 60 H ALA 60 -1.320 -8.217 -3.555 345 HA ALA 60 HA ALA 60 -1.646 -6.820 -1.020 346 1HB ALA 60 1HB ALA 60 -3.029 -6.157 -2.928 347 2HB ALA 60 2HB ALA 60 -4.011 -6.743 -1.585 348 3HB ALA 60 3HB ALA 60 -3.723 -7.777 -2.983 349 H ASN 61 H ASN 61 -2.460 -7.703 0.823 350 HA ASN 61 HA ASN 61 -2.317 -10.558 1.094 351 1HB ASN 61 1HB ASN 61 -3.086 -8.378 3.044 352 2HB ASN 61 2HB ASN 61 -2.967 -10.081 3.474 353 1HD2 ASN 61 1HD2 ASN 61 -0.755 -10.936 2.265 354 2HD2 ASN 61 2HD2 ASN 61 0.634 -10.073 2.818 355 H THR 62 H THR 62 -4.864 -8.151 0.906 356 HA THR 62 HA THR 62 -6.825 -10.334 0.716 357 HB THR 62 HB THR 62 -7.321 -7.727 2.163 358 HG1 THR 62 HG1 THR 62 -6.284 -8.704 3.703 359 1HG2 THR 62 1HG2 THR 62 -9.004 -10.123 1.620 360 2HG2 THR 62 2HG2 THR 62 -9.421 -8.410 1.544 361 3HG2 THR 62 3HG2 THR 62 -9.232 -9.205 3.109 362 H CYS 63 H CYS 63 -8.200 -10.174 -0.962 363 HA CYS 63 HA CYS 63 -8.709 -7.596 -2.200 364 1HB CYS 63 1HB CYS 63 -8.221 -8.905 -4.486 365 2HB CYS 63 2HB CYS 63 -6.990 -7.954 -3.654 366 H THR 64 H THR 64 -10.831 -7.510 -2.385 367 HA THR 64 HA THR 64 -12.286 -9.955 -3.155 368 HB THR 64 HB THR 64 -14.184 -8.355 -1.978 369 HG1 THR 64 HG1 THR 64 -13.198 -7.007 -0.734 370 1HG2 THR 64 1HG2 THR 64 -13.127 -9.885 0.121 371 2HG2 THR 64 2HG2 THR 64 -12.871 -10.810 -1.359 372 3HG2 THR 64 3HG2 THR 64 -14.494 -10.269 -0.926 373 H ASP 65 H ASP 65 -13.555 -9.857 -4.914 374 HA ASP 65 HA ASP 65 -14.543 -9.070 -6.806 375 1HB ASP 65 1HB ASP 65 -14.958 -6.783 -4.905 376 2HB ASP 65 2HB ASP 65 -15.444 -6.629 -6.596 377 H SER 66 H SER 66 -11.698 -8.883 -6.555 378 HA SER 66 HA SER 66 -11.213 -6.725 -8.484 379 1HB SER 66 1HB SER 66 -9.146 -6.095 -7.406 380 2HB SER 66 2HB SER 66 -10.445 -6.018 -6.209 381 HG SER 66 HG SER 66 -9.530 -7.573 -5.124 382 H THR 67 H THR 67 -8.813 -7.043 -9.336 383 HA THR 67 HA THR 67 -8.369 -9.908 -9.828 384 HB THR 67 HB THR 67 -9.415 -9.198 -11.811 385 HG1 THR 67 HG1 THR 67 -6.677 -8.785 -12.382 386 1HG2 THR 67 1HG2 THR 67 -9.102 -7.208 -12.971 387 2HG2 THR 67 2HG2 THR 67 -7.606 -6.836 -12.113 388 3HG2 THR 67 3HG2 THR 67 -9.155 -6.723 -11.277 389 H ASN 68 H ASN 68 -6.147 -10.294 -10.831 390 HA ASN 68 HA ASN 68 -3.877 -10.151 -10.685 391 1HB ASN 68 1HB ASN 68 -4.289 -7.204 -10.140 392 2HB ASN 68 2HB ASN 68 -2.825 -7.983 -10.748 393 1HD2 ASN 68 1HD2 ASN 68 -3.577 -9.538 -12.722 394 2HD2 ASN 68 2HD2 ASN 68 -4.389 -8.660 -13.968 395 H CYS 69 H CYS 69 -4.053 -11.415 -8.744 396 HA CYS 69 HA CYS 69 -2.964 -10.026 -6.432 397 1HB CYS 69 1HB CYS 69 -5.692 -10.713 -6.564 398 2HB CYS 69 2HB CYS 69 -4.949 -11.917 -5.513 399 H TYR 70 H TYR 70 -1.249 -11.411 -7.692 400 HA TYR 70 HA TYR 70 -1.386 -14.236 -7.092 401 1HB TYR 70 1HB TYR 70 0.743 -14.427 -8.236 402 2HB TYR 70 2HB TYR 70 -0.365 -13.445 -9.193 403 HD1 TYR 70 HD1 TYR 70 -0.016 -10.983 -9.335 404 HD2 TYR 70 HD2 TYR 70 2.788 -13.540 -7.406 405 HE1 TYR 70 HE1 TYR 70 1.693 -9.225 -9.493 406 HE2 TYR 70 HE2 TYR 70 4.499 -11.782 -7.552 407 HH TYR 70 HH TYR 70 3.918 -8.681 -8.042 408 H LYS 71 H LYS 71 -1.611 -13.013 -4.744 409 HA LYS 71 HA LYS 71 0.278 -14.182 -3.116 410 1HB LYS 71 1HB LYS 71 1.867 -12.528 -4.048 411 2HB LYS 71 2HB LYS 71 0.825 -11.224 -3.482 412 1HG LYS 71 1HG LYS 71 2.083 -11.221 -1.650 413 2HG LYS 71 2HG LYS 71 1.245 -12.709 -1.207 414 1HD LYS 71 1HD LYS 71 3.057 -13.981 -1.583 415 2HD LYS 71 2HD LYS 71 3.484 -13.103 -3.053 416 1HE LYS 71 1HE LYS 71 5.208 -12.860 -1.340 417 2HE LYS 71 2HE LYS 71 4.453 -11.312 -1.714 418 1HZ LYS 71 1HZ LYS 71 2.964 -11.829 0.277 419 2HZ LYS 71 2HZ LYS 71 4.556 -11.353 0.590 420 3HZ LYS 71 3HZ LYS 71 4.127 -12.986 0.696 421 H ALA 72 H ALA 72 -2.447 -13.977 -3.093 422 HA ALA 72 HA ALA 72 -2.955 -12.292 -0.722 423 1HB ALA 72 1HB ALA 72 -4.114 -11.811 -3.052 424 2HB ALA 72 2HB ALA 72 -4.972 -11.605 -1.526 425 3HB ALA 72 3HB ALA 72 -5.215 -13.065 -2.484 426 H THR 73 H THR 73 -4.838 -13.076 0.595 427 HA THR 73 HA THR 73 -4.644 -15.992 0.895 428 HB THR 73 HB THR 73 -3.962 -14.874 2.887 429 HG1 THR 73 HG1 THR 73 -5.616 -15.543 4.346 430 1HG2 THR 73 1HG2 THR 73 -4.644 -12.820 3.328 431 2HG2 THR 73 2HG2 THR 73 -6.171 -13.512 3.874 432 3HG2 THR 73 3HG2 THR 73 -5.998 -12.962 2.208 433 H ALA 74 H ALA 74 -6.885 -13.338 0.484 434 HA ALA 74 HA ALA 74 -9.144 -15.219 0.480 435 1HB ALA 74 1HB ALA 74 -10.427 -12.929 0.380 436 2HB ALA 74 2HB ALA 74 -8.906 -12.297 1.010 437 3HB ALA 74 3HB ALA 74 -9.783 -13.538 1.905 438 H CYS 75 H CYS 75 -9.805 -15.922 -1.439 439 HA CYS 75 HA CYS 75 -9.571 -14.110 -3.748 440 1HB CYS 75 1HB CYS 75 -8.817 -17.009 -3.515 441 2HB CYS 75 2HB CYS 75 -9.282 -16.333 -5.079 442 H THR 76 H THR 76 -11.709 -13.475 -3.650 443 HA THR 76 HA THR 76 -13.723 -15.583 -4.053 444 HB THR 76 HB THR 76 -15.286 -13.540 -3.482 445 HG1 THR 76 HG1 THR 76 -14.080 -11.854 -3.109 446 1HG2 THR 76 1HG2 THR 76 -13.881 -14.352 -1.036 447 2HG2 THR 76 2HG2 THR 76 -14.500 -15.666 -2.036 448 3HG2 THR 76 3HG2 THR 76 -15.596 -14.416 -1.444 449 H ASN 77 H ASN 77 -13.302 -15.751 -6.299 450 HA ASN 77 HA ASN 77 -13.730 -15.327 -8.494 451 1HB ASN 77 1HB ASN 77 -15.442 -13.017 -7.560 452 2HB ASN 77 2HB ASN 77 -15.558 -13.893 -9.089 453 1HD2 ASN 77 1HD2 ASN 77 -17.541 -13.422 -6.973 454 2HD2 ASN 77 2HD2 ASN 77 -18.097 -14.988 -6.501 455 H SER 78 H SER 78 -11.423 -14.225 -7.322 456 HA SER 78 HA SER 78 -11.151 -11.670 -8.758 457 1HB SER 78 1HB SER 78 -10.673 -11.226 -6.494 458 2HB SER 78 2HB SER 78 -9.782 -12.739 -6.296 459 HG SER 78 HG SER 78 -8.909 -10.305 -7.153 460 H SER 79 H SER 79 -9.531 -11.397 -10.235 461 HA SER 79 HA SER 79 -8.319 -13.806 -11.263 462 1HB SER 79 1HB SER 79 -8.815 -12.624 -13.114 463 2HB SER 79 2HB SER 79 -8.826 -11.091 -12.246 464 HG SER 79 HG SER 79 -7.114 -11.031 -13.647 465 H GLY 80 H GLY 80 -5.973 -13.611 -12.048 466 1HA GLY 80 1HA GLY 80 -3.746 -13.475 -11.506 467 2HA GLY 80 2HA GLY 80 -4.141 -11.986 -10.660 468 H CYS 81 H CYS 81 -6.022 -14.496 -9.458 469 HA CYS 81 HA CYS 81 -4.028 -15.356 -7.512 470 1HB CYS 81 1HB CYS 81 -4.943 -14.385 -5.662 471 2HB CYS 81 2HB CYS 81 -5.412 -13.174 -6.856 472 HA PRO 82 HA PRO 82 -5.838 -19.344 -7.208 473 1HB PRO 82 1HB PRO 82 -6.729 -18.590 -4.451 474 2HB PRO 82 2HB PRO 82 -5.916 -20.063 -5.007 475 1HG PRO 82 1HG PRO 82 -4.565 -18.116 -3.756 476 2HG PRO 82 2HG PRO 82 -3.839 -19.050 -5.075 477 1HD PRO 82 1HD PRO 82 -4.769 -16.247 -5.043 478 2HD PRO 82 2HD PRO 82 -3.564 -17.026 -6.083 479 H GLY 83 H GLY 83 -7.890 -20.490 -6.970 480 1HA GLY 83 1HA GLY 83 -10.282 -20.370 -6.518 481 2HA GLY 83 2HA GLY 83 -10.228 -18.687 -7.018 482 H HIS 84 H HIS 84 -9.516 -21.938 -8.292 483 HA HIS 84 HA HIS 84 -9.928 -22.898 -10.311 484 1HB HIS 84 1HB HIS 84 -12.263 -22.205 -9.792 485 2HB HIS 84 2HB HIS 84 -11.972 -20.692 -10.643 486 HD1 HIS 84 HD1 HIS 84 -12.568 -20.693 -13.047 487 HD2 HIS 84 HD2 HIS 84 -11.937 -24.537 -11.602 488 HE1 HIS 84 HE1 HIS 84 -13.146 -22.229 -14.951 489 HE2 HIS 84 HE2 HIS 84 -12.859 -24.552 -14.019 Start of MODEL 7 1 1H GLN 1 1H GLN 1 -12.171 13.481 1.931 2 2H GLN 1 2H GLN 1 -12.746 15.078 1.678 3 3H GLN 1 3H GLN 1 -12.675 14.431 3.265 4 HA GLN 1 HA GLN 1 -10.881 15.831 3.116 5 1HB GLN 1 1HB GLN 1 -10.409 13.638 4.093 6 2HB GLN 1 2HB GLN 1 -10.009 12.998 2.506 7 1HG GLN 1 1HG GLN 1 -7.903 13.472 3.036 8 2HG GLN 1 2HG GLN 1 -8.335 15.148 2.699 9 1HE2 GLN 1 1HE2 GLN 1 -6.342 15.052 4.282 10 2HE2 GLN 1 2HE2 GLN 1 -6.753 15.278 5.944 11 H CYS 2 H CYS 2 -10.235 13.448 0.542 12 HA CYS 2 HA CYS 2 -9.498 15.675 -1.235 13 1HB CYS 2 1HB CYS 2 -7.983 13.078 -1.260 14 2HB CYS 2 2HB CYS 2 -7.510 14.634 -1.930 15 H THR 3 H THR 3 -11.954 14.147 -1.069 16 HA THR 3 HA THR 3 -11.880 12.370 -3.370 17 HB THR 3 HB THR 3 -13.196 11.682 -1.438 18 HG1 THR 3 HG1 THR 3 -14.840 12.407 -3.631 19 1HG2 THR 3 1HG2 THR 3 -13.980 14.345 -1.268 20 2HG2 THR 3 2HG2 THR 3 -14.543 12.995 -0.281 21 3HG2 THR 3 3HG2 THR 3 -15.432 13.459 -1.732 22 H GLY 4 H GLY 4 -11.349 13.968 -4.956 23 1HA GLY 4 1HA GLY 4 -13.739 15.305 -5.979 24 2HA GLY 4 2HA GLY 4 -12.338 16.320 -5.642 25 H GLY 5 H GLY 5 -13.688 13.869 -7.719 26 1HA GLY 5 1HA GLY 5 -13.229 13.533 -9.972 27 2HA GLY 5 2HA GLY 5 -11.889 14.662 -9.838 28 H ALA 6 H ALA 6 -10.322 13.470 -10.817 29 HA ALA 6 HA ALA 6 -9.518 11.010 -9.416 30 1HB ALA 6 1HB ALA 6 -10.272 10.001 -11.312 31 2HB ALA 6 2HB ALA 6 -8.640 10.403 -11.846 32 3HB ALA 6 3HB ALA 6 -9.999 11.427 -12.314 33 H ASP 7 H ASP 7 -8.530 13.588 -8.886 34 HA ASP 7 HA ASP 7 -5.724 13.132 -9.340 35 1HB ASP 7 1HB ASP 7 -7.210 15.272 -10.783 36 2HB ASP 7 2HB ASP 7 -5.616 15.677 -10.140 37 H CYS 8 H CYS 8 -5.306 13.140 -7.190 38 HA CYS 8 HA CYS 8 -6.466 14.946 -5.342 39 1HB CYS 8 1HB CYS 8 -4.413 12.834 -5.287 40 2HB CYS 8 2HB CYS 8 -4.177 14.113 -4.093 41 H THR 9 H THR 9 -2.955 14.723 -5.703 42 HA THR 9 HA THR 9 -1.329 16.291 -5.950 43 HB THR 9 HB THR 9 -3.478 18.128 -7.013 44 HG1 THR 9 HG1 THR 9 -2.949 17.247 -9.041 45 1HG2 THR 9 1HG2 THR 9 -1.166 18.429 -8.495 46 2HG2 THR 9 2HG2 THR 9 -0.605 18.322 -6.826 47 3HG2 THR 9 3HG2 THR 9 -1.796 19.541 -7.280 48 H SER 10 H SER 10 -4.211 18.228 -5.117 49 HA SER 10 HA SER 10 -3.068 20.123 -3.536 50 1HB SER 10 1HB SER 10 -5.505 19.928 -4.184 51 2HB SER 10 2HB SER 10 -5.696 18.808 -2.835 52 HG SER 10 HG SER 10 -6.211 20.878 -2.145 53 H CYS 11 H CYS 11 -4.292 16.985 -2.361 54 HA CYS 11 HA CYS 11 -3.290 17.425 0.288 55 1HB CYS 11 1HB CYS 11 -4.258 14.866 -1.003 56 2HB CYS 11 2HB CYS 11 -4.018 15.128 0.721 57 H THR 12 H THR 12 -1.670 16.121 1.349 58 HA THR 12 HA THR 12 0.256 14.792 -0.396 59 HB THR 12 HB THR 12 2.104 16.048 0.882 60 HG1 THR 12 HG1 THR 12 1.497 17.574 2.162 61 1HG2 THR 12 1HG2 THR 12 2.363 17.006 -1.088 62 2HG2 THR 12 2HG2 THR 12 1.188 18.232 -0.612 63 3HG2 THR 12 3HG2 THR 12 0.655 16.785 -1.465 64 H GLY 13 H GLY 13 -1.670 14.033 1.755 65 1HA GLY 13 1HA GLY 13 0.284 12.639 3.465 66 2HA GLY 13 2HA GLY 13 -1.129 13.406 4.173 67 H ALA 14 H ALA 14 -3.260 12.677 3.219 68 HA ALA 14 HA ALA 14 -3.157 9.774 2.709 69 1HB ALA 14 1HB ALA 14 -4.231 10.914 4.905 70 2HB ALA 14 2HB ALA 14 -4.799 9.395 4.212 71 3HB ALA 14 3HB ALA 14 -5.636 10.902 3.840 72 H CYS 15 H CYS 15 -4.088 9.059 0.893 73 HA CYS 15 HA CYS 15 -5.338 10.984 -0.876 74 1HB CYS 15 1HB CYS 15 -3.785 8.657 -1.222 75 2HB CYS 15 2HB CYS 15 -5.364 8.294 -1.909 76 H THR 16 H THR 16 -7.430 10.988 -1.551 77 HA THR 16 HA THR 16 -9.247 9.061 -0.260 78 HB THR 16 HB THR 16 -10.327 11.711 -1.014 79 HG1 THR 16 HG1 THR 16 -8.634 11.425 1.241 80 1HG2 THR 16 1HG2 THR 16 -11.686 11.482 0.830 81 2HG2 THR 16 2HG2 THR 16 -10.554 10.416 1.663 82 3HG2 THR 16 3HG2 THR 16 -11.489 9.814 0.294 83 H GLY 17 H GLY 17 -11.527 10.325 -1.738 84 1HA GLY 17 1HA GLY 17 -11.480 8.623 -4.005 85 2HA GLY 17 2HA GLY 17 -12.706 9.837 -3.646 86 H CYS 18 H CYS 18 -9.341 9.593 -4.795 87 HA CYS 18 HA CYS 18 -9.990 11.613 -6.825 88 1HB CYS 18 1HB CYS 18 -7.764 12.636 -6.517 89 2HB CYS 18 2HB CYS 18 -8.743 12.739 -5.053 90 H GLY 19 H GLY 19 -6.866 11.231 -7.398 91 1HA GLY 19 1HA GLY 19 -7.151 8.621 -8.733 92 2HA GLY 19 2HA GLY 19 -6.626 10.029 -9.647 93 H ASN 20 H ASN 20 -4.604 11.076 -8.935 94 HA ASN 20 HA ASN 20 -2.726 9.055 -7.911 95 1HB ASN 20 1HB ASN 20 -2.297 9.778 -10.219 96 2HB ASN 20 2HB ASN 20 -2.186 11.450 -9.679 97 1HD2 ASN 20 1HD2 ASN 20 -0.884 8.423 -8.373 98 2HD2 ASN 20 2HD2 ASN 20 0.767 8.930 -8.380 99 H CYS 21 H CYS 21 -1.201 9.588 -6.373 100 HA CYS 21 HA CYS 21 -1.699 12.110 -4.936 101 1HB CYS 21 1HB CYS 21 -1.578 9.369 -4.033 102 2HB CYS 21 2HB CYS 21 -0.351 10.336 -3.213 103 HA PRO 22 HA PRO 22 2.539 13.167 -5.473 104 1HB PRO 22 1HB PRO 22 3.109 14.524 -3.194 105 2HB PRO 22 2HB PRO 22 2.070 15.165 -4.467 106 1HG PRO 22 1HG PRO 22 1.346 14.035 -1.824 107 2HG PRO 22 2HG PRO 22 0.534 15.284 -2.776 108 1HD PRO 22 1HD PRO 22 -0.244 12.608 -2.569 109 2HD PRO 22 2HD PRO 22 -0.802 13.763 -3.792 110 H ASN 23 H ASN 23 2.639 12.715 -1.951 111 HA ASN 23 HA ASN 23 4.553 10.518 -2.352 112 1HB ASN 23 1HB ASN 23 4.813 12.551 -0.139 113 2HB ASN 23 2HB ASN 23 6.004 11.363 -0.676 114 1HD2 ASN 23 1HD2 ASN 23 4.289 14.284 -1.614 115 2HD2 ASN 23 2HD2 ASN 23 5.502 14.870 -2.697 116 H ALA 24 H ALA 24 1.592 11.209 -1.226 117 HA ALA 24 HA ALA 24 1.439 10.269 1.378 118 1HB ALA 24 1HB ALA 24 -0.523 11.202 0.583 119 2HB ALA 24 2HB ALA 24 -0.910 9.482 0.614 120 3HB ALA 24 3HB ALA 24 -0.487 10.264 -0.910 121 H VAL 25 H VAL 25 1.139 8.259 2.311 122 HA VAL 25 HA VAL 25 2.142 6.022 0.730 123 HB VAL 25 HB VAL 25 2.458 4.854 2.823 124 1HG1 VAL 25 1HG1 VAL 25 3.896 6.978 2.011 125 2HG1 VAL 25 2HG1 VAL 25 4.316 5.993 3.412 126 3HG1 VAL 25 3HG1 VAL 25 3.447 7.512 3.630 127 1HG2 VAL 25 1HG2 VAL 25 0.930 7.161 3.997 128 2HG2 VAL 25 2HG2 VAL 25 1.965 6.122 4.977 129 3HG2 VAL 25 3HG2 VAL 25 0.584 5.436 4.120 130 H THR 26 H THR 26 -0.704 6.966 2.599 131 HA THR 26 HA THR 26 -2.026 4.464 1.831 132 HB THR 26 HB THR 26 -3.449 6.416 3.541 133 HG1 THR 26 HG1 THR 26 -1.279 4.929 4.585 134 1HG2 THR 26 1HG2 THR 26 -4.602 4.461 3.537 135 2HG2 THR 26 2HG2 THR 26 -3.552 4.184 4.926 136 3HG2 THR 26 3HG2 THR 26 -3.151 3.473 3.363 137 H CYS 27 H CYS 27 -3.835 4.404 0.565 138 HA CYS 27 HA CYS 27 -4.915 6.948 -0.407 139 1HB CYS 27 1HB CYS 27 -4.096 4.656 -2.207 140 2HB CYS 27 2HB CYS 27 -4.907 6.137 -2.730 141 H THR 28 H THR 28 -7.008 6.942 -0.025 142 HA THR 28 HA THR 28 -8.448 4.395 0.086 143 HB THR 28 HB THR 28 -9.445 7.138 0.878 144 HG1 THR 28 HG1 THR 28 -8.908 6.493 2.999 145 1HG2 THR 28 1HG2 THR 28 -10.393 4.414 1.731 146 2HG2 THR 28 2HG2 THR 28 -11.196 5.446 0.548 147 3HG2 THR 28 3HG2 THR 28 -11.059 5.970 2.226 148 H ASN 29 H ASN 29 -9.037 3.831 -1.933 149 HA ASN 29 HA ASN 29 -10.352 3.790 -3.760 150 1HB ASN 29 1HB ASN 29 -11.519 5.904 -2.324 151 2HB ASN 29 2HB ASN 29 -11.188 6.562 -3.928 152 1HD2 ASN 29 1HD2 ASN 29 -12.855 4.056 -2.148 153 2HD2 ASN 29 2HD2 ASN 29 -14.008 3.683 -3.378 154 H SER 30 H SER 30 -10.615 5.766 -5.660 155 HA SER 30 HA SER 30 -9.533 7.031 -7.250 156 1HB SER 30 1HB SER 30 -7.044 6.660 -5.563 157 2HB SER 30 2HB SER 30 -7.190 7.723 -6.954 158 HG SER 30 HG SER 30 -7.985 8.111 -4.382 159 H GLN 31 H GLN 31 -7.535 6.732 -8.798 160 HA GLN 31 HA GLN 31 -6.945 3.887 -9.152 161 1HB GLN 31 1HB GLN 31 -7.457 4.974 -11.736 162 2HB GLN 31 2HB GLN 31 -8.293 3.656 -10.918 163 1HG GLN 31 1HG GLN 31 -8.979 6.534 -10.419 164 2HG GLN 31 2HG GLN 31 -9.685 5.616 -11.750 165 1HE2 GLN 31 1HE2 GLN 31 -11.149 6.758 -9.640 166 2HE2 GLN 31 2HE2 GLN 31 -11.878 5.479 -8.735 167 H HIS 32 H HIS 32 -4.963 5.255 -8.230 168 HA HIS 32 HA HIS 32 -3.013 5.231 -10.251 169 1HB HIS 32 1HB HIS 32 -4.488 7.663 -10.097 170 2HB HIS 32 2HB HIS 32 -2.849 7.983 -9.525 171 HD1 HIS 32 HD1 HIS 32 -3.293 9.424 -11.958 172 HD2 HIS 32 HD2 HIS 32 -2.336 5.382 -12.099 173 HE1 HIS 32 HE1 HIS 32 -2.395 9.025 -14.273 174 HE2 HIS 32 HE2 HIS 32 -1.742 6.592 -14.305 175 H CYS 33 H CYS 33 -3.417 4.311 -7.526 176 HA CYS 33 HA CYS 33 -1.077 5.592 -6.269 177 1HB CYS 33 1HB CYS 33 -3.721 4.925 -5.166 178 2HB CYS 33 2HB CYS 33 -2.363 4.392 -4.170 179 H VAL 34 H VAL 34 0.086 4.000 -7.588 180 HA VAL 34 HA VAL 34 -0.170 1.204 -7.004 181 HB VAL 34 HB VAL 34 1.721 0.878 -8.444 182 1HG1 VAL 34 1HG1 VAL 34 0.531 3.139 -9.907 183 2HG1 VAL 34 2HG1 VAL 34 -0.610 1.961 -9.260 184 3HG1 VAL 34 3HG1 VAL 34 0.669 1.439 -10.356 185 1HG2 VAL 34 1HG2 VAL 34 3.124 2.716 -7.513 186 2HG2 VAL 34 2HG2 VAL 34 2.146 3.869 -8.422 187 3HG2 VAL 34 3HG2 VAL 34 3.112 2.670 -9.278 188 H LYS 35 H LYS 35 1.849 3.832 -5.897 189 HA LYS 35 HA LYS 35 3.532 2.009 -4.383 190 1HB LYS 35 1HB LYS 35 5.054 3.766 -4.181 191 2HB LYS 35 2HB LYS 35 4.377 3.975 -5.779 192 1HG LYS 35 1HG LYS 35 3.181 5.470 -3.491 193 2HG LYS 35 2HG LYS 35 4.695 6.022 -4.204 194 1HD LYS 35 1HD LYS 35 3.542 7.013 -5.822 195 2HD LYS 35 2HD LYS 35 2.954 5.433 -6.344 196 1HE LYS 35 1HE LYS 35 0.911 5.798 -5.506 197 2HE LYS 35 2HE LYS 35 1.550 6.465 -4.006 198 1HZ LYS 35 1HZ LYS 35 0.363 7.844 -6.098 199 2HZ LYS 35 2HZ LYS 35 1.998 8.277 -6.124 200 3HZ LYS 35 3HZ LYS 35 1.088 8.496 -4.715 201 H ALA 36 H ALA 36 0.722 2.427 -3.625 202 HA ALA 36 HA ALA 36 0.931 3.887 -1.105 203 1HB ALA 36 1HB ALA 36 -1.474 2.526 -2.313 204 2HB ALA 36 2HB ALA 36 -1.047 4.221 -2.549 205 3HB ALA 36 3HB ALA 36 -1.464 3.632 -0.939 206 H ASN 37 H ASN 37 0.269 2.902 0.912 207 HA ASN 37 HA ASN 37 1.311 0.227 1.179 208 1HB ASN 37 1HB ASN 37 1.302 2.415 2.821 209 2HB ASN 37 2HB ASN 37 0.019 1.438 3.531 210 1HD2 ASN 37 1HD2 ASN 37 3.370 1.288 2.424 211 2HD2 ASN 37 2HD2 ASN 37 3.885 0.112 3.580 212 H THR 38 H THR 38 -1.822 1.797 1.273 213 HA THR 38 HA THR 38 -3.093 -0.832 1.210 214 HB THR 38 HB THR 38 -4.350 1.249 2.947 215 HG1 THR 38 HG1 THR 38 -2.366 -0.552 3.867 216 1HG2 THR 38 1HG2 THR 38 -5.235 -0.613 4.150 217 2HG2 THR 38 2HG2 THR 38 -4.226 -1.739 3.243 218 3HG2 THR 38 3HG2 THR 38 -5.525 -0.868 2.430 219 H CYS 39 H CYS 39 -5.328 -0.753 0.451 220 HA CYS 39 HA CYS 39 -6.070 1.728 -0.917 221 1HB CYS 39 1HB CYS 39 -5.832 -0.980 -2.240 222 2HB CYS 39 2HB CYS 39 -6.650 0.405 -2.967 223 H THR 40 H THR 40 -8.282 1.907 -1.440 224 HA THR 40 HA THR 40 -10.123 -0.163 -0.578 225 HB THR 40 HB THR 40 -10.742 2.501 0.565 226 HG1 THR 40 HG1 THR 40 -8.821 0.800 1.769 227 1HG2 THR 40 1HG2 THR 40 -11.439 -0.265 1.052 228 2HG2 THR 40 2HG2 THR 40 -12.285 1.216 1.503 229 3HG2 THR 40 3HG2 THR 40 -10.994 0.590 2.529 230 H GLY 41 H GLY 41 -11.104 -0.303 -2.538 231 1HA GLY 41 1HA GLY 41 -12.625 0.309 -4.182 232 2HA GLY 41 2HA GLY 41 -12.832 1.846 -3.352 233 H SER 42 H SER 42 -9.880 0.381 -4.603 234 HA SER 42 HA SER 42 -9.692 2.609 -6.504 235 1HB SER 42 1HB SER 42 -7.237 1.478 -5.175 236 2HB SER 42 2HB SER 42 -7.460 3.066 -5.903 237 HG SER 42 HG SER 42 -7.637 2.460 -3.371 238 H THR 43 H THR 43 -7.275 1.747 -7.690 239 HA THR 43 HA THR 43 -7.756 -1.037 -8.361 240 HB THR 43 HB THR 43 -8.230 -0.779 -10.561 241 HG1 THR 43 HG1 THR 43 -7.342 1.863 -10.811 242 1HG2 THR 43 1HG2 THR 43 -9.657 1.252 -10.964 243 2HG2 THR 43 2HG2 THR 43 -9.257 1.745 -9.317 244 3HG2 THR 43 3HG2 THR 43 -10.110 0.226 -9.602 245 H ASP 44 H ASP 44 -5.775 1.552 -9.743 246 HA ASP 44 HA ASP 44 -3.495 0.042 -10.173 247 1HB ASP 44 1HB ASP 44 -3.884 3.009 -9.787 248 2HB ASP 44 2HB ASP 44 -2.321 2.304 -10.188 249 H CYS 45 H CYS 45 -3.388 -1.173 -8.249 250 HA CYS 45 HA CYS 45 -1.813 0.132 -6.137 251 1HB CYS 45 1HB CYS 45 -4.106 -1.810 -5.768 252 2HB CYS 45 2HB CYS 45 -2.989 -1.346 -4.480 253 H ASN 46 H ASN 46 0.055 -0.772 -7.145 254 HA ASN 46 HA ASN 46 0.223 -3.645 -7.454 255 1HB ASN 46 1HB ASN 46 2.013 -1.338 -8.095 256 2HB ASN 46 2HB ASN 46 2.696 -2.961 -8.014 257 1HD2 ASN 46 1HD2 ASN 46 -0.459 -1.844 -9.184 258 2HD2 ASN 46 2HD2 ASN 46 -0.259 -2.436 -10.794 259 H THR 47 H THR 47 1.569 -1.175 -5.293 260 HA THR 47 HA THR 47 3.022 -3.244 -3.830 261 HB THR 47 HB THR 47 3.900 -0.857 -4.480 262 HG1 THR 47 HG1 THR 47 4.305 -2.198 -2.032 263 1HG2 THR 47 1HG2 THR 47 3.705 0.820 -2.823 264 2HG2 THR 47 2HG2 THR 47 2.775 -0.241 -1.765 265 3HG2 THR 47 3HG2 THR 47 2.067 0.345 -3.270 266 H ALA 48 H ALA 48 0.109 -1.425 -3.587 267 HA ALA 48 HA ALA 48 -0.369 -1.144 -0.918 268 1HB ALA 48 1HB ALA 48 -1.896 -0.586 -2.867 269 2HB ALA 48 2HB ALA 48 -2.672 -1.160 -1.391 270 3HB ALA 48 3HB ALA 48 -2.466 -2.251 -2.761 271 H GLN 49 H GLN 49 -1.034 -2.398 0.787 272 HA GLN 49 HA GLN 49 -0.377 -5.200 0.642 273 1HB GLN 49 1HB GLN 49 -1.313 -3.409 2.878 274 2HB GLN 49 2HB GLN 49 -1.070 -5.136 3.093 275 1HG GLN 49 1HG GLN 49 1.052 -3.214 2.169 276 2HG GLN 49 2HG GLN 49 0.841 -3.757 3.833 277 1HE2 GLN 49 1HE2 GLN 49 2.396 -4.327 0.949 278 2HE2 GLN 49 2HE2 GLN 49 2.950 -5.935 1.252 279 H THR 50 H THR 50 -3.077 -3.565 -0.226 280 HA THR 50 HA THR 50 -4.682 -5.811 -0.533 281 HB THR 50 HB THR 50 -4.740 -5.461 2.021 282 HG1 THR 50 HG1 THR 50 -6.262 -6.701 0.692 283 1HG2 THR 50 1HG2 THR 50 -5.231 -2.963 1.750 284 2HG2 THR 50 2HG2 THR 50 -6.134 -3.876 2.961 285 3HG2 THR 50 3HG2 THR 50 -6.885 -3.478 1.415 286 H CYS 51 H CYS 51 -6.921 -5.210 -1.262 287 HA CYS 51 HA CYS 51 -7.596 -2.512 -1.761 288 1HB CYS 51 1HB CYS 51 -7.254 -2.465 -4.205 289 2HB CYS 51 2HB CYS 51 -5.732 -2.587 -3.320 290 H THR 52 H THR 52 -9.723 -2.600 -1.689 291 HA THR 52 HA THR 52 -11.129 -4.975 -2.630 292 HB THR 52 HB THR 52 -12.989 -3.139 -1.628 293 HG1 THR 52 HG1 THR 52 -10.676 -3.180 0.007 294 1HG2 THR 52 1HG2 THR 52 -13.296 -4.626 0.166 295 2HG2 THR 52 2HG2 THR 52 -11.647 -5.239 0.037 296 3HG2 THR 52 3HG2 THR 52 -12.830 -5.618 -1.215 297 H ASN 53 H ASN 53 -12.371 -5.008 -4.436 298 HA ASN 53 HA ASN 53 -13.284 -4.348 -6.419 299 1HB ASN 53 1HB ASN 53 -13.675 -1.857 -4.766 300 2HB ASN 53 2HB ASN 53 -14.194 -1.938 -6.453 301 1HD2 ASN 53 1HD2 ASN 53 -15.171 -2.330 -3.347 302 2HD2 ASN 53 2HD2 ASN 53 -16.533 -3.363 -3.598 303 H SER 54 H SER 54 -10.444 -4.177 -6.016 304 HA SER 54 HA SER 54 -9.624 -1.810 -7.523 305 1HB SER 54 1HB SER 54 -8.426 -3.385 -5.499 306 2HB SER 54 2HB SER 54 -7.447 -3.603 -6.955 307 HG SER 54 HG SER 54 -8.079 -1.214 -5.586 308 H LYS 55 H LYS 55 -7.408 -2.760 -8.827 309 HA LYS 55 HA LYS 55 -8.279 -4.901 -10.612 310 1HB LYS 55 1HB LYS 55 -7.485 -2.135 -11.552 311 2HB LYS 55 2HB LYS 55 -7.709 -3.527 -12.601 312 1HG LYS 55 1HG LYS 55 -10.083 -3.606 -11.525 313 2HG LYS 55 2HG LYS 55 -9.742 -1.919 -11.134 314 1HD LYS 55 1HD LYS 55 -9.715 -1.273 -13.339 315 2HD LYS 55 2HD LYS 55 -9.248 -2.875 -13.912 316 1HE LYS 55 1HE LYS 55 -11.578 -2.241 -14.499 317 2HE LYS 55 2HE LYS 55 -11.461 -3.719 -13.544 318 1HZ LYS 55 1HZ LYS 55 -11.878 -1.153 -12.174 319 2HZ LYS 55 2HZ LYS 55 -12.348 -2.709 -11.704 320 3HZ LYS 55 3HZ LYS 55 -13.191 -1.905 -12.931 321 H ASP 56 H ASP 56 -6.120 -4.252 -8.545 322 HA ASP 56 HA ASP 56 -3.935 -5.368 -10.056 323 1HB ASP 56 1HB ASP 56 -3.969 -2.623 -8.925 324 2HB ASP 56 2HB ASP 56 -2.476 -3.541 -8.743 325 H CYS 57 H CYS 57 -2.320 -4.447 -7.557 326 HA CYS 57 HA CYS 57 -1.956 -5.073 -5.379 327 1HB CYS 57 1HB CYS 57 -4.549 -6.471 -5.795 328 2HB CYS 57 2HB CYS 57 -3.469 -7.139 -4.575 329 H PHE 58 H PHE 58 0.000 -5.887 -5.691 330 HA PHE 58 HA PHE 58 0.262 -8.581 -6.820 331 1HB PHE 58 1HB PHE 58 2.323 -6.414 -6.347 332 2HB PHE 58 2HB PHE 58 2.684 -8.005 -7.006 333 HD1 PHE 58 HD1 PHE 58 3.339 -7.732 -9.127 334 HD2 PHE 58 HD2 PHE 58 -0.069 -5.615 -7.717 335 HE1 PHE 58 HE1 PHE 58 2.942 -6.866 -11.387 336 HE2 PHE 58 HE2 PHE 58 -0.475 -4.757 -9.974 337 HZ PHE 58 HZ PHE 58 1.046 -5.383 -11.774 338 H GLU 59 H GLU 59 1.083 -6.642 -3.992 339 HA GLU 59 HA GLU 59 1.776 -9.130 -2.571 340 1HB GLU 59 1HB GLU 59 2.779 -6.425 -1.725 341 2HB GLU 59 2HB GLU 59 3.424 -8.017 -1.327 342 1HG GLU 59 1HG GLU 59 3.552 -6.679 -4.022 343 2HG GLU 59 2HG GLU 59 4.877 -6.825 -2.868 344 H ALA 60 H ALA 60 -0.864 -8.319 -2.763 345 HA ALA 60 HA ALA 60 -1.500 -6.906 -0.296 346 1HB ALA 60 1HB ALA 60 -2.964 -6.107 -1.835 347 2HB ALA 60 2HB ALA 60 -3.915 -7.477 -1.260 348 3HB ALA 60 3HB ALA 60 -2.989 -7.613 -2.754 349 H ASN 61 H ASN 61 -2.744 -7.765 1.367 350 HA ASN 61 HA ASN 61 -2.439 -10.628 1.723 351 1HB ASN 61 1HB ASN 61 -3.475 -8.494 3.604 352 2HB ASN 61 2HB ASN 61 -3.204 -10.181 4.035 353 1HD2 ASN 61 1HD2 ASN 61 -1.750 -9.469 5.644 354 2HD2 ASN 61 2HD2 ASN 61 -0.143 -8.983 5.238 355 H THR 62 H THR 62 -5.018 -8.246 1.382 356 HA THR 62 HA THR 62 -6.937 -10.477 1.184 357 HB THR 62 HB THR 62 -7.476 -7.674 2.187 358 HG1 THR 62 HG1 THR 62 -7.401 -10.151 3.563 359 1HG2 THR 62 1HG2 THR 62 -9.268 -9.662 1.208 360 2HG2 THR 62 2HG2 THR 62 -9.622 -8.060 1.856 361 3HG2 THR 62 3HG2 THR 62 -9.516 -9.446 2.940 362 H CYS 63 H CYS 63 -7.940 -10.680 -0.703 363 HA CYS 63 HA CYS 63 -7.990 -8.358 -2.518 364 1HB CYS 63 1HB CYS 63 -7.142 -11.167 -2.979 365 2HB CYS 63 2HB CYS 63 -8.062 -10.393 -4.271 366 H THR 64 H THR 64 -10.108 -7.889 -1.671 367 HA THR 64 HA THR 64 -12.203 -9.824 -2.310 368 HB THR 64 HB THR 64 -13.426 -7.541 -1.282 369 HG1 THR 64 HG1 THR 64 -11.071 -8.066 0.200 370 1HG2 THR 64 1HG2 THR 64 -13.025 -10.247 -0.494 371 2HG2 THR 64 2HG2 THR 64 -14.311 -9.131 -0.037 372 3HG2 THR 64 3HG2 THR 64 -12.822 -9.195 0.907 373 H ASP 65 H ASP 65 -12.494 -9.767 -4.485 374 HA ASP 65 HA ASP 65 -13.362 -9.046 -6.463 375 1HB ASP 65 1HB ASP 65 -14.063 -6.437 -5.109 376 2HB ASP 65 2HB ASP 65 -14.810 -7.149 -6.541 377 H SER 66 H SER 66 -10.973 -9.055 -6.889 378 HA SER 66 HA SER 66 -10.261 -6.589 -8.193 379 1HB SER 66 1HB SER 66 -9.350 -5.962 -6.099 380 2HB SER 66 2HB SER 66 -8.715 -7.585 -5.802 381 HG SER 66 HG SER 66 -6.949 -6.688 -6.553 382 H THR 67 H THR 67 -8.806 -6.887 -9.851 383 HA THR 67 HA THR 67 -8.137 -9.684 -10.422 384 HB THR 67 HB THR 67 -9.301 -8.883 -12.258 385 HG1 THR 67 HG1 THR 67 -7.829 -8.793 -13.878 386 1HG2 THR 67 1HG2 THR 67 -8.924 -6.701 -13.326 387 2HG2 THR 67 2HG2 THR 67 -7.828 -6.278 -12.012 388 3HG2 THR 67 3HG2 THR 67 -9.533 -6.574 -11.677 389 H ASN 68 H ASN 68 -6.071 -10.151 -11.465 390 HA ASN 68 HA ASN 68 -3.799 -10.132 -11.551 391 1HB ASN 68 1HB ASN 68 -4.125 -7.154 -11.093 392 2HB ASN 68 2HB ASN 68 -2.612 -7.952 -11.529 393 1HD2 ASN 68 1HD2 ASN 68 -2.535 -6.643 -13.397 394 2HD2 ASN 68 2HD2 ASN 68 -3.496 -7.015 -14.782 395 H CYS 69 H CYS 69 -5.002 -10.864 -9.164 396 HA CYS 69 HA CYS 69 -3.468 -9.598 -7.033 397 1HB CYS 69 1HB CYS 69 -5.757 -11.534 -7.107 398 2HB CYS 69 2HB CYS 69 -4.775 -11.387 -5.646 399 H TYR 70 H TYR 70 -1.795 -10.540 -5.969 400 HA TYR 70 HA TYR 70 -1.067 -13.281 -6.741 401 1HB TYR 70 1HB TYR 70 0.836 -10.941 -6.494 402 2HB TYR 70 2HB TYR 70 1.302 -12.614 -6.813 403 HD1 TYR 70 HD1 TYR 70 1.290 -9.699 -8.388 404 HD2 TYR 70 HD2 TYR 70 -0.572 -13.498 -8.824 405 HE1 TYR 70 HE1 TYR 70 1.048 -9.296 -10.802 406 HE2 TYR 70 HE2 TYR 70 -0.820 -13.107 -11.240 407 HH TYR 70 HH TYR 70 0.182 -11.757 -12.998 408 H LYS 71 H LYS 71 -1.266 -14.453 -4.960 409 HA LYS 71 HA LYS 71 -0.815 -15.263 -2.876 410 1HB LYS 71 1HB LYS 71 1.383 -13.758 -3.342 411 2HB LYS 71 2HB LYS 71 0.717 -12.904 -1.950 412 1HG LYS 71 1HG LYS 71 2.267 -14.507 -1.138 413 2HG LYS 71 2HG LYS 71 0.649 -15.093 -0.746 414 1HD LYS 71 1HD LYS 71 1.914 -16.947 -1.565 415 2HD LYS 71 2HD LYS 71 0.750 -16.501 -2.813 416 1HE LYS 71 1HE LYS 71 3.315 -15.117 -3.044 417 2HE LYS 71 2HE LYS 71 3.440 -16.869 -3.195 418 1HZ LYS 71 1HZ LYS 71 1.612 -15.140 -4.775 419 2HZ LYS 71 2HZ LYS 71 1.787 -16.815 -4.942 420 3HZ LYS 71 3HZ LYS 71 3.073 -15.788 -5.335 421 H ALA 72 H ALA 72 -3.201 -14.250 -3.146 422 HA ALA 72 HA ALA 72 -3.624 -12.354 -0.938 423 1HB ALA 72 1HB ALA 72 -6.060 -12.625 -2.163 424 2HB ALA 72 2HB ALA 72 -4.934 -12.792 -3.511 425 3HB ALA 72 3HB ALA 72 -4.883 -11.352 -2.492 426 H THR 73 H THR 73 -4.885 -12.865 0.798 427 HA THR 73 HA THR 73 -5.288 -15.652 1.340 428 HB THR 73 HB THR 73 -5.990 -14.947 3.534 429 HG1 THR 73 HG1 THR 73 -6.026 -12.299 2.523 430 1HG2 THR 73 1HG2 THR 73 -3.521 -14.287 2.511 431 2HG2 THR 73 2HG2 THR 73 -3.979 -14.311 4.214 432 3HG2 THR 73 3HG2 THR 73 -4.060 -12.804 3.300 433 H ALA 74 H ALA 74 -7.433 -12.848 0.928 434 HA ALA 74 HA ALA 74 -9.752 -14.627 0.862 435 1HB ALA 74 1HB ALA 74 -10.088 -11.711 0.486 436 2HB ALA 74 2HB ALA 74 -9.486 -12.249 2.053 437 3HB ALA 74 3HB ALA 74 -11.030 -12.848 1.449 438 H CYS 75 H CYS 75 -9.265 -15.619 -1.165 439 HA CYS 75 HA CYS 75 -9.515 -13.861 -3.506 440 1HB CYS 75 1HB CYS 75 -8.306 -16.579 -3.091 441 2HB CYS 75 2HB CYS 75 -8.802 -16.067 -4.707 442 H THR 76 H THR 76 -11.867 -13.829 -2.701 443 HA THR 76 HA THR 76 -13.431 -16.178 -3.288 444 HB THR 76 HB THR 76 -14.336 -13.346 -2.730 445 HG1 THR 76 HG1 THR 76 -13.839 -15.545 -1.027 446 1HG2 THR 76 1HG2 THR 76 -16.083 -14.743 -3.751 447 2HG2 THR 76 2HG2 THR 76 -16.448 -14.293 -2.085 448 3HG2 THR 76 3HG2 THR 76 -15.868 -15.918 -2.453 449 H ASN 77 H ASN 77 -13.181 -12.913 -4.692 450 HA ASN 77 HA ASN 77 -13.803 -14.049 -7.314 451 1HB ASN 77 1HB ASN 77 -15.941 -13.223 -6.391 452 2HB ASN 77 2HB ASN 77 -15.218 -11.627 -6.169 453 1HD2 ASN 77 1HD2 ASN 77 -15.120 -13.981 -8.823 454 2HD2 ASN 77 2HD2 ASN 77 -15.699 -12.894 -10.035 455 H SER 78 H SER 78 -11.307 -13.450 -6.658 456 HA SER 78 HA SER 78 -10.800 -10.825 -7.899 457 1HB SER 78 1HB SER 78 -8.458 -11.319 -6.663 458 2HB SER 78 2HB SER 78 -9.795 -10.470 -5.878 459 HG SER 78 HG SER 78 -9.498 -13.281 -5.749 460 H SER 79 H SER 79 -9.523 -10.741 -9.670 461 HA SER 79 HA SER 79 -8.763 -13.257 -10.886 462 1HB SER 79 1HB SER 79 -9.582 -10.768 -11.860 463 2HB SER 79 2HB SER 79 -7.895 -10.922 -12.351 464 HG SER 79 HG SER 79 -8.580 -13.106 -13.088 465 H GLY 80 H GLY 80 -6.648 -13.663 -11.766 466 1HA GLY 80 1HA GLY 80 -4.322 -13.430 -11.850 467 2HA GLY 80 2HA GLY 80 -4.437 -12.089 -10.713 468 H CYS 81 H CYS 81 -6.161 -13.787 -8.921 469 HA CYS 81 HA CYS 81 -3.973 -15.394 -7.777 470 1HB CYS 81 1HB CYS 81 -4.659 -14.801 -5.617 471 2HB CYS 81 2HB CYS 81 -4.843 -13.310 -6.535 472 HA PRO 82 HA PRO 82 -6.175 -19.201 -7.602 473 1HB PRO 82 1HB PRO 82 -6.624 -18.891 -4.666 474 2HB PRO 82 2HB PRO 82 -5.952 -20.261 -5.566 475 1HG PRO 82 1HG PRO 82 -4.351 -18.642 -4.198 476 2HG PRO 82 2HG PRO 82 -3.866 -19.258 -5.789 477 1HD PRO 82 1HD PRO 82 -4.857 -16.551 -5.022 478 2HD PRO 82 2HD PRO 82 -3.636 -17.006 -6.229 479 H GLY 83 H GLY 83 -8.013 -18.515 -8.743 480 1HA GLY 83 1HA GLY 83 -10.368 -17.976 -7.038 481 2HA GLY 83 2HA GLY 83 -10.142 -17.217 -8.608 482 H HIS 84 H HIS 84 -11.320 -18.080 -10.170 483 HA HIS 84 HA HIS 84 -11.486 -20.938 -10.505 484 1HB HIS 84 1HB HIS 84 -13.999 -19.346 -9.949 485 2HB HIS 84 2HB HIS 84 -13.954 -21.025 -10.478 486 HD1 HIS 84 HD1 HIS 84 -12.352 -22.550 -8.700 487 HD2 HIS 84 HD2 HIS 84 -14.313 -19.173 -7.281 488 HE1 HIS 84 HE1 HIS 84 -12.477 -22.844 -6.206 489 HE2 HIS 84 HE2 HIS 84 -13.585 -20.745 -5.361 Start of MODEL 8 1 1H GLN 1 1H GLN 1 -7.342 16.177 6.787 2 2H GLN 1 2H GLN 1 -6.589 14.995 5.796 3 3H GLN 1 3H GLN 1 -8.029 15.768 5.271 4 HA GLN 1 HA GLN 1 -6.781 17.893 5.387 5 1HB GLN 1 1HB GLN 1 -4.950 16.418 6.700 6 2HB GLN 1 2HB GLN 1 -4.301 16.292 5.071 7 1HG GLN 1 1HG GLN 1 -3.435 18.320 5.202 8 2HG GLN 1 2HG GLN 1 -5.005 19.009 5.611 9 1HE2 GLN 1 1HE2 GLN 1 -1.914 18.654 6.642 10 2HE2 GLN 1 2HE2 GLN 1 -2.142 18.879 8.339 11 H CYS 2 H CYS 2 -7.112 18.560 3.375 12 HA CYS 2 HA CYS 2 -7.191 18.654 1.105 13 1HB CYS 2 1HB CYS 2 -4.773 18.353 1.211 14 2HB CYS 2 2HB CYS 2 -4.972 16.606 1.312 15 H THR 3 H THR 3 -8.558 17.812 -0.366 16 HA THR 3 HA THR 3 -9.075 14.935 -0.352 17 HB THR 3 HB THR 3 -10.854 15.445 1.011 18 HG1 THR 3 HG1 THR 3 -12.599 15.196 -0.213 19 1HG2 THR 3 1HG2 THR 3 -12.208 17.686 0.071 20 2HG2 THR 3 2HG2 THR 3 -10.504 18.140 0.078 21 3HG2 THR 3 3HG2 THR 3 -11.264 17.546 1.554 22 H GLY 4 H GLY 4 -10.523 17.838 -1.854 23 1HA GLY 4 1HA GLY 4 -10.361 18.494 -4.099 24 2HA GLY 4 2HA GLY 4 -9.552 16.971 -4.460 25 H GLY 5 H GLY 5 -11.236 17.464 -6.308 26 1HA GLY 5 1HA GLY 5 -13.748 16.085 -5.583 27 2HA GLY 5 2HA GLY 5 -13.643 17.319 -6.830 28 H ALA 6 H ALA 6 -11.752 16.699 -8.479 29 HA ALA 6 HA ALA 6 -11.880 13.841 -9.100 30 1HB ALA 6 1HB ALA 6 -13.640 15.478 -10.307 31 2HB ALA 6 2HB ALA 6 -12.973 14.031 -11.064 32 3HB ALA 6 3HB ALA 6 -12.280 15.614 -11.421 33 H ASP 7 H ASP 7 -9.827 15.904 -8.243 34 HA ASP 7 HA ASP 7 -7.738 14.985 -9.999 35 1HB ASP 7 1HB ASP 7 -8.849 17.180 -10.957 36 2HB ASP 7 2HB ASP 7 -7.861 17.962 -9.720 37 H CYS 8 H CYS 8 -6.379 14.247 -8.502 38 HA CYS 8 HA CYS 8 -5.990 15.768 -6.033 39 1HB CYS 8 1HB CYS 8 -5.713 12.935 -6.819 40 2HB CYS 8 2HB CYS 8 -4.480 13.528 -5.703 41 H THR 9 H THR 9 -4.906 17.270 -7.808 42 HA THR 9 HA THR 9 -2.117 16.535 -8.251 43 HB THR 9 HB THR 9 -3.226 17.502 -10.152 44 HG1 THR 9 HG1 THR 9 -1.087 18.191 -9.859 45 1HG2 THR 9 1HG2 THR 9 -4.948 18.860 -9.755 46 2HG2 THR 9 2HG2 THR 9 -3.728 20.131 -9.686 47 3HG2 THR 9 3HG2 THR 9 -4.306 19.381 -8.197 48 H SER 10 H SER 10 -4.083 18.677 -6.326 49 HA SER 10 HA SER 10 -1.704 20.009 -5.254 50 1HB SER 10 1HB SER 10 -3.699 21.233 -3.950 51 2HB SER 10 2HB SER 10 -3.209 21.706 -5.576 52 HG SER 10 HG SER 10 -4.948 20.709 -6.410 53 H CYS 11 H CYS 11 -2.329 17.209 -4.671 54 HA CYS 11 HA CYS 11 -2.741 17.415 -1.760 55 1HB CYS 11 1HB CYS 11 -4.216 15.916 -3.559 56 2HB CYS 11 2HB CYS 11 -3.088 14.741 -2.892 57 H THR 12 H THR 12 -1.432 16.149 -0.405 58 HA THR 12 HA THR 12 0.881 14.853 -1.650 59 HB THR 12 HB THR 12 0.895 17.312 -0.090 60 HG1 THR 12 HG1 THR 12 2.911 15.892 -1.485 61 1HG2 THR 12 1HG2 THR 12 2.837 15.192 0.797 62 2HG2 THR 12 2HG2 THR 12 1.513 15.830 1.772 63 3HG2 THR 12 3HG2 THR 12 2.831 16.890 1.274 64 H GLY 13 H GLY 13 -1.041 15.401 1.267 65 1HA GLY 13 1HA GLY 13 0.086 13.335 2.815 66 2HA GLY 13 2HA GLY 13 -1.500 14.050 3.063 67 H ALA 14 H ALA 14 -3.282 13.221 1.757 68 HA ALA 14 HA ALA 14 -2.836 10.511 0.716 69 1HB ALA 14 1HB ALA 14 -3.620 10.177 2.961 70 2HB ALA 14 2HB ALA 14 -4.918 9.760 1.841 71 3HB ALA 14 3HB ALA 14 -4.960 11.296 2.706 72 H CYS 15 H CYS 15 -4.222 9.862 -0.927 73 HA CYS 15 HA CYS 15 -5.528 12.037 -2.335 74 1HB CYS 15 1HB CYS 15 -4.665 9.268 -3.014 75 2HB CYS 15 2HB CYS 15 -5.980 9.966 -3.953 76 H THR 16 H THR 16 -7.668 12.367 -2.495 77 HA THR 16 HA THR 16 -9.512 10.241 -1.684 78 HB THR 16 HB THR 16 -10.123 12.986 -0.710 79 HG1 THR 16 HG1 THR 16 -8.143 12.920 0.143 80 1HG2 THR 16 1HG2 THR 16 -10.534 11.159 1.315 81 2HG2 THR 16 2HG2 THR 16 -10.976 10.282 -0.150 82 3HG2 THR 16 3HG2 THR 16 -11.755 11.819 0.226 83 H GLY 17 H GLY 17 -11.158 10.048 -3.065 84 1HA GLY 17 1HA GLY 17 -12.557 10.471 -4.837 85 2HA GLY 17 2HA GLY 17 -12.676 12.096 -4.165 86 H CYS 18 H CYS 18 -10.161 10.209 -5.853 87 HA CYS 18 HA CYS 18 -10.106 12.198 -7.980 88 1HB CYS 18 1HB CYS 18 -7.409 11.890 -7.574 89 2HB CYS 18 2HB CYS 18 -8.358 13.273 -7.033 90 H GLY 19 H GLY 19 -7.824 11.376 -9.293 91 1HA GLY 19 1HA GLY 19 -8.153 8.475 -9.661 92 2HA GLY 19 2HA GLY 19 -8.318 9.547 -11.050 93 H ASN 20 H ASN 20 -6.051 10.679 -8.803 94 HA ASN 20 HA ASN 20 -3.793 9.196 -9.805 95 1HB ASN 20 1HB ASN 20 -3.913 10.659 -11.662 96 2HB ASN 20 2HB ASN 20 -4.314 12.043 -10.651 97 1HD2 ASN 20 1HD2 ASN 20 -2.734 13.400 -10.222 98 2HD2 ASN 20 2HD2 ASN 20 -1.042 13.059 -10.323 99 H CYS 21 H CYS 21 -1.851 9.650 -8.660 100 HA CYS 21 HA CYS 21 -2.070 11.479 -6.388 101 1HB CYS 21 1HB CYS 21 -2.483 8.770 -6.062 102 2HB CYS 21 2HB CYS 21 -0.774 8.956 -5.662 103 HA PRO 22 HA PRO 22 2.122 12.232 -7.573 104 1HB PRO 22 1HB PRO 22 2.873 13.806 -5.495 105 2HB PRO 22 2HB PRO 22 1.801 14.351 -6.786 106 1HG PRO 22 1HG PRO 22 1.177 13.662 -3.990 107 2HG PRO 22 2HG PRO 22 0.308 14.717 -5.111 108 1HD PRO 22 1HD PRO 22 -0.343 12.047 -4.396 109 2HD PRO 22 2HD PRO 22 -1.123 13.052 -5.629 110 H ASN 23 H ASN 23 2.205 12.021 -4.014 111 HA ASN 23 HA ASN 23 3.863 9.640 -4.150 112 1HB ASN 23 1HB ASN 23 5.184 11.453 -2.350 113 2HB ASN 23 2HB ASN 23 5.840 10.615 -3.758 114 1HD2 ASN 23 1HD2 ASN 23 3.773 13.389 -2.960 115 2HD2 ASN 23 2HD2 ASN 23 4.425 14.438 -4.168 116 H ALA 24 H ALA 24 1.248 10.159 -3.148 117 HA ALA 24 HA ALA 24 1.204 10.560 -0.358 118 1HB ALA 24 1HB ALA 24 -1.055 9.819 -0.428 119 2HB ALA 24 2HB ALA 24 -0.791 8.959 -1.944 120 3HB ALA 24 3HB ALA 24 -0.754 10.722 -1.913 121 H VAL 25 H VAL 25 0.894 9.059 1.339 122 HA VAL 25 HA VAL 25 2.219 6.485 0.859 123 HB VAL 25 HB VAL 25 3.220 7.914 2.582 124 1HG1 VAL 25 1HG1 VAL 25 1.509 9.205 3.471 125 2HG1 VAL 25 2HG1 VAL 25 1.861 8.071 4.775 126 3HG1 VAL 25 3HG1 VAL 25 0.460 7.813 3.736 127 1HG2 VAL 25 1HG2 VAL 25 3.066 5.335 2.711 128 2HG2 VAL 25 2HG2 VAL 25 1.952 5.632 4.045 129 3HG2 VAL 25 3HG2 VAL 25 3.608 6.231 4.131 130 H THR 26 H THR 26 -0.820 7.882 1.671 131 HA THR 26 HA THR 26 -2.028 5.242 1.750 132 HB THR 26 HB THR 26 -3.024 7.038 3.878 133 HG1 THR 26 HG1 THR 26 -1.153 7.249 4.776 134 1HG2 THR 26 1HG2 THR 26 -2.376 4.464 4.827 135 2HG2 THR 26 2HG2 THR 26 -3.140 4.275 3.249 136 3HG2 THR 26 3HG2 THR 26 -3.970 5.158 4.531 137 H CYS 27 H CYS 27 -4.092 5.226 0.938 138 HA CYS 27 HA CYS 27 -5.517 7.734 0.588 139 1HB CYS 27 1HB CYS 27 -5.841 6.772 -1.933 140 2HB CYS 27 2HB CYS 27 -4.668 8.012 -1.493 141 H THR 28 H THR 28 -7.702 7.504 0.387 142 HA THR 28 HA THR 28 -8.736 4.799 0.826 143 HB THR 28 HB THR 28 -10.213 7.425 1.084 144 HG1 THR 28 HG1 THR 28 -8.381 7.242 2.515 145 1HG2 THR 28 1HG2 THR 28 -11.968 6.099 1.369 146 2HG2 THR 28 2HG2 THR 28 -11.237 5.653 2.912 147 3HG2 THR 28 3HG2 THR 28 -10.964 4.654 1.484 148 H ASN 29 H ASN 29 -8.987 3.867 -1.155 149 HA ASN 29 HA ASN 29 -10.050 3.338 -3.037 150 1HB ASN 29 1HB ASN 29 -11.502 5.978 -2.997 151 2HB ASN 29 2HB ASN 29 -12.005 4.464 -3.754 152 1HD2 ASN 29 1HD2 ASN 29 -12.642 6.463 -1.282 153 2HD2 ASN 29 2HD2 ASN 29 -13.312 5.346 -0.147 154 H SER 30 H SER 30 -10.740 5.084 -5.113 155 HA SER 30 HA SER 30 -9.917 6.464 -6.771 156 1HB SER 30 1HB SER 30 -8.495 7.406 -4.664 157 2HB SER 30 2HB SER 30 -7.191 6.732 -5.639 158 HG SER 30 HG SER 30 -9.128 8.628 -6.475 159 H GLN 31 H GLN 31 -7.407 6.502 -7.940 160 HA GLN 31 HA GLN 31 -6.702 3.688 -8.352 161 1HB GLN 31 1HB GLN 31 -6.662 4.292 -10.883 162 2HB GLN 31 2HB GLN 31 -8.197 3.881 -10.118 163 1HG GLN 31 1HG GLN 31 -8.986 6.022 -10.241 164 2HG GLN 31 2HG GLN 31 -7.375 6.737 -10.214 165 1HE2 GLN 31 1HE2 GLN 31 -6.075 6.520 -12.154 166 2HE2 GLN 31 2HE2 GLN 31 -6.859 6.479 -13.694 167 H HIS 32 H HIS 32 -4.860 4.626 -7.056 168 HA HIS 32 HA HIS 32 -2.589 4.876 -8.615 169 1HB HIS 32 1HB HIS 32 -4.026 7.341 -8.463 170 2HB HIS 32 2HB HIS 32 -2.518 7.523 -7.564 171 HD1 HIS 32 HD1 HIS 32 -0.297 7.250 -8.921 172 HD2 HIS 32 HD2 HIS 32 -3.759 7.173 -11.216 173 HE1 HIS 32 HE1 HIS 32 0.467 7.540 -11.299 174 HE2 HIS 32 HE2 HIS 32 -1.654 7.583 -12.660 175 H CYS 33 H CYS 33 -3.378 3.543 -6.290 176 HA CYS 33 HA CYS 33 -1.765 4.792 -4.178 177 1HB CYS 33 1HB CYS 33 -3.794 2.553 -4.063 178 2HB CYS 33 2HB CYS 33 -2.837 3.096 -2.684 179 H VAL 34 H VAL 34 -0.553 3.540 -6.471 180 HA VAL 34 HA VAL 34 0.292 0.913 -6.007 181 HB VAL 34 HB VAL 34 2.327 1.597 -7.397 182 1HG1 VAL 34 1HG1 VAL 34 -0.132 2.337 -8.883 183 2HG1 VAL 34 2HG1 VAL 34 -0.074 0.747 -8.122 184 3HG1 VAL 34 3HG1 VAL 34 1.151 1.202 -9.306 185 1HG2 VAL 34 1HG2 VAL 34 1.306 4.180 -6.781 186 2HG2 VAL 34 2HG2 VAL 34 1.178 3.935 -8.523 187 3HG2 VAL 34 3HG2 VAL 34 2.737 3.755 -7.720 188 H LYS 35 H LYS 35 1.285 3.914 -4.593 189 HA LYS 35 HA LYS 35 3.447 2.518 -3.157 190 1HB LYS 35 1HB LYS 35 4.133 4.435 -4.637 191 2HB LYS 35 2HB LYS 35 3.189 5.498 -3.603 192 1HG LYS 35 1HG LYS 35 5.621 5.497 -3.120 193 2HG LYS 35 2HG LYS 35 4.614 5.069 -1.737 194 1HD LYS 35 1HD LYS 35 5.521 3.028 -1.579 195 2HD LYS 35 2HD LYS 35 5.416 2.756 -3.318 196 1HE LYS 35 1HE LYS 35 7.745 2.789 -2.318 197 2HE LYS 35 2HE LYS 35 7.473 3.829 -3.716 198 1HZ LYS 35 1HZ LYS 35 7.771 5.681 -2.504 199 2HZ LYS 35 2HZ LYS 35 8.612 4.654 -1.454 200 3HZ LYS 35 3HZ LYS 35 7.002 5.058 -1.130 201 H ALA 36 H ALA 36 0.750 2.330 -2.362 202 HA ALA 36 HA ALA 36 0.640 4.053 0.020 203 1HB ALA 36 1HB ALA 36 -1.280 3.884 -1.751 204 2HB ALA 36 2HB ALA 36 -1.654 3.970 -0.030 205 3HB ALA 36 3HB ALA 36 -1.688 2.416 -0.864 206 H ASN 37 H ASN 37 0.827 3.198 1.996 207 HA ASN 37 HA ASN 37 1.728 0.567 2.379 208 1HB ASN 37 1HB ASN 37 1.738 2.804 3.902 209 2HB ASN 37 2HB ASN 37 0.452 1.899 4.694 210 1HD2 ASN 37 1HD2 ASN 37 1.007 0.416 6.132 211 2HD2 ASN 37 2HD2 ASN 37 2.598 -0.217 6.362 212 H THR 38 H THR 38 -1.467 1.933 2.358 213 HA THR 38 HA THR 38 -2.642 -0.696 2.371 214 HB THR 38 HB THR 38 -3.889 1.058 4.408 215 HG1 THR 38 HG1 THR 38 -1.927 1.316 5.241 216 1HG2 THR 38 1HG2 THR 38 -4.532 -1.357 3.751 217 2HG2 THR 38 2HG2 THR 38 -4.507 -0.897 5.453 218 3HG2 THR 38 3HG2 THR 38 -3.165 -1.813 4.768 219 H CYS 39 H CYS 39 -4.329 -0.692 0.999 220 HA CYS 39 HA CYS 39 -5.758 1.843 0.571 221 1HB CYS 39 1HB CYS 39 -5.923 1.045 -1.893 222 2HB CYS 39 2HB CYS 39 -4.426 1.799 -1.344 223 H THR 40 H THR 40 -7.930 1.662 -0.074 224 HA THR 40 HA THR 40 -9.119 -0.973 0.477 225 HB THR 40 HB THR 40 -9.915 0.558 2.092 226 HG1 THR 40 HG1 THR 40 -12.052 0.515 1.706 227 1HG2 THR 40 1HG2 THR 40 -11.101 2.695 1.320 228 2HG2 THR 40 2HG2 THR 40 -10.155 2.510 -0.157 229 3HG2 THR 40 3HG2 THR 40 -9.339 2.688 1.397 230 H GLY 41 H GLY 41 -11.433 1.104 -0.831 231 1HA GLY 41 1HA GLY 41 -11.679 -0.403 -3.227 232 2HA GLY 41 2HA GLY 41 -12.532 1.080 -2.848 233 H SER 42 H SER 42 -9.244 0.013 -3.685 234 HA SER 42 HA SER 42 -9.189 2.080 -5.732 235 1HB SER 42 1HB SER 42 -8.197 2.873 -3.405 236 2HB SER 42 2HB SER 42 -6.819 1.889 -3.886 237 HG SER 42 HG SER 42 -6.944 3.154 -5.923 238 H THR 43 H THR 43 -7.566 1.636 -7.321 239 HA THR 43 HA THR 43 -6.770 -1.170 -7.238 240 HB THR 43 HB THR 43 -7.280 -1.267 -9.413 241 HG1 THR 43 HG1 THR 43 -6.397 0.061 -10.934 242 1HG2 THR 43 1HG2 THR 43 -8.916 0.631 -8.356 243 2HG2 THR 43 2HG2 THR 43 -9.075 -0.074 -9.969 244 3HG2 THR 43 3HG2 THR 43 -8.244 1.467 -9.760 245 H ASP 44 H ASP 44 -4.764 -0.398 -9.489 246 HA ASP 44 HA ASP 44 -2.429 -0.569 -9.269 247 1HB ASP 44 1HB ASP 44 -3.555 2.049 -9.475 248 2HB ASP 44 2HB ASP 44 -2.067 2.156 -8.541 249 H CYS 45 H CYS 45 -2.478 -1.917 -7.214 250 HA CYS 45 HA CYS 45 -1.154 -0.398 -5.067 251 1HB CYS 45 1HB CYS 45 -3.566 -2.158 -4.845 252 2HB CYS 45 2HB CYS 45 -2.413 -2.117 -3.508 253 H ASN 46 H ASN 46 0.864 -1.166 -5.370 254 HA ASN 46 HA ASN 46 1.226 -4.083 -5.458 255 1HB ASN 46 1HB ASN 46 2.178 -2.846 -7.365 256 2HB ASN 46 2HB ASN 46 3.164 -1.895 -6.248 257 1HD2 ASN 46 1HD2 ASN 46 5.033 -2.722 -5.493 258 2HD2 ASN 46 2HD2 ASN 46 5.658 -4.271 -5.930 259 H THR 47 H THR 47 2.270 -1.136 -3.810 260 HA THR 47 HA THR 47 4.020 -2.598 -2.034 261 HB THR 47 HB THR 47 4.397 -0.213 -2.848 262 HG1 THR 47 HG1 THR 47 4.522 -0.931 -0.122 263 1HG2 THR 47 1HG2 THR 47 3.459 1.564 -1.429 264 2HG2 THR 47 2HG2 THR 47 2.354 0.384 -0.726 265 3HG2 THR 47 3HG2 THR 47 2.248 0.778 -2.441 266 H ALA 48 H ALA 48 0.721 -1.521 -2.052 267 HA ALA 48 HA ALA 48 0.243 -1.468 0.724 268 1HB ALA 48 1HB ALA 48 -1.810 -2.262 -1.320 269 2HB ALA 48 2HB ALA 48 -1.246 -0.599 -1.150 270 3HB ALA 48 3HB ALA 48 -2.045 -1.401 0.202 271 H GLN 49 H GLN 49 -0.896 -3.012 2.037 272 HA GLN 49 HA GLN 49 -0.098 -5.759 1.424 273 1HB GLN 49 1HB GLN 49 -0.441 -6.210 3.787 274 2HB GLN 49 2HB GLN 49 0.595 -4.804 3.584 275 1HG GLN 49 1HG GLN 49 -0.747 -3.850 5.084 276 2HG GLN 49 2HG GLN 49 -1.860 -3.649 3.732 277 1HE2 GLN 49 1HE2 GLN 49 -3.707 -3.771 4.941 278 2HE2 GLN 49 2HE2 GLN 49 -4.235 -5.217 5.722 279 H THR 50 H THR 50 -2.700 -4.002 0.752 280 HA THR 50 HA THR 50 -4.390 -6.184 0.292 281 HB THR 50 HB THR 50 -4.509 -5.872 2.860 282 HG1 THR 50 HG1 THR 50 -6.709 -6.429 2.801 283 1HG2 THR 50 1HG2 THR 50 -6.512 -3.768 2.132 284 2HG2 THR 50 2HG2 THR 50 -4.886 -3.387 2.702 285 3HG2 THR 50 3HG2 THR 50 -5.997 -4.286 3.737 286 H CYS 51 H CYS 51 -6.542 -5.470 -0.556 287 HA CYS 51 HA CYS 51 -6.989 -2.693 -1.016 288 1HB CYS 51 1HB CYS 51 -6.808 -3.438 -3.684 289 2HB CYS 51 2HB CYS 51 -5.691 -2.397 -2.808 290 H THR 52 H THR 52 -9.043 -3.229 -0.237 291 HA THR 52 HA THR 52 -10.684 -5.219 -1.482 292 HB THR 52 HB THR 52 -12.289 -3.270 -0.150 293 HG1 THR 52 HG1 THR 52 -11.215 -2.831 1.645 294 1HG2 THR 52 1HG2 THR 52 -11.351 -6.024 0.550 295 2HG2 THR 52 2HG2 THR 52 -12.954 -5.491 0.045 296 3HG2 THR 52 3HG2 THR 52 -12.350 -5.075 1.649 297 H ASN 53 H ASN 53 -11.966 -5.017 -3.253 298 HA ASN 53 HA ASN 53 -12.944 -4.105 -5.104 299 1HB ASN 53 1HB ASN 53 -13.158 -1.732 -3.238 300 2HB ASN 53 2HB ASN 53 -13.868 -1.759 -4.855 301 1HD2 ASN 53 1HD2 ASN 53 -14.066 -2.939 -1.613 302 2HD2 ASN 53 2HD2 ASN 53 -15.610 -3.702 -1.761 303 H SER 54 H SER 54 -10.537 -4.383 -5.645 304 HA SER 54 HA SER 54 -9.501 -1.845 -6.762 305 1HB SER 54 1HB SER 54 -7.249 -2.564 -6.203 306 2HB SER 54 2HB SER 54 -8.237 -2.585 -4.736 307 HG SER 54 HG SER 54 -7.485 -4.794 -6.344 308 H LYS 55 H LYS 55 -7.414 -2.759 -8.183 309 HA LYS 55 HA LYS 55 -8.156 -5.131 -9.688 310 1HB LYS 55 1HB LYS 55 -8.294 -2.353 -10.774 311 2HB LYS 55 2HB LYS 55 -7.710 -3.631 -11.830 312 1HG LYS 55 1HG LYS 55 -9.742 -4.634 -11.974 313 2HG LYS 55 2HG LYS 55 -10.231 -4.129 -10.357 314 1HD LYS 55 1HD LYS 55 -11.540 -2.994 -12.086 315 2HD LYS 55 2HD LYS 55 -10.569 -1.850 -11.158 316 1HE LYS 55 1HE LYS 55 -10.617 -1.550 -13.687 317 2HE LYS 55 2HE LYS 55 -9.035 -1.561 -12.908 318 1HZ LYS 55 1HZ LYS 55 -9.201 -2.913 -14.978 319 2HZ LYS 55 2HZ LYS 55 -10.248 -3.959 -14.161 320 3HZ LYS 55 3HZ LYS 55 -8.655 -3.772 -13.626 321 H ASP 56 H ASP 56 -5.947 -3.843 -7.990 322 HA ASP 56 HA ASP 56 -3.750 -4.957 -9.482 323 1HB ASP 56 1HB ASP 56 -3.740 -2.078 -8.585 324 2HB ASP 56 2HB ASP 56 -2.303 -2.957 -9.105 325 H CYS 57 H CYS 57 -3.181 -6.414 -7.990 326 HA CYS 57 HA CYS 57 -2.246 -5.487 -5.409 327 1HB CYS 57 1HB CYS 57 -4.385 -7.623 -5.592 328 2HB CYS 57 2HB CYS 57 -3.597 -7.066 -4.117 329 H PHE 58 H PHE 58 -0.238 -6.141 -6.344 330 HA PHE 58 HA PHE 58 0.122 -8.962 -6.944 331 1HB PHE 58 1HB PHE 58 2.256 -6.831 -6.950 332 2HB PHE 58 2HB PHE 58 2.257 -8.369 -7.806 333 HD1 PHE 58 HD1 PHE 58 1.350 -8.584 -9.911 334 HD2 PHE 58 HD2 PHE 58 0.734 -5.036 -7.651 335 HE1 PHE 58 HE1 PHE 58 0.483 -7.461 -11.913 336 HE2 PHE 58 HE2 PHE 58 -0.139 -3.910 -9.648 337 HZ PHE 58 HZ PHE 58 -0.243 -5.138 -11.753 338 H GLU 59 H GLU 59 0.663 -6.784 -4.309 339 HA GLU 59 HA GLU 59 2.184 -8.900 -2.932 340 1HB GLU 59 1HB GLU 59 3.113 -6.395 -3.496 341 2HB GLU 59 2HB GLU 59 2.476 -6.178 -1.864 342 1HG GLU 59 1HG GLU 59 4.558 -8.157 -2.758 343 2HG GLU 59 2HG GLU 59 4.795 -6.745 -1.731 344 H ALA 60 H ALA 60 -0.637 -6.966 -2.883 345 HA ALA 60 HA ALA 60 -1.137 -6.695 -0.163 346 1HB ALA 60 1HB ALA 60 -3.626 -7.213 -1.296 347 2HB ALA 60 2HB ALA 60 -2.665 -6.516 -2.602 348 3HB ALA 60 3HB ALA 60 -2.859 -5.638 -1.087 349 H ASN 61 H ASN 61 -2.937 -7.891 1.020 350 HA ASN 61 HA ASN 61 -2.419 -10.778 0.792 351 1HB ASN 61 1HB ASN 61 -3.025 -8.986 3.120 352 2HB ASN 61 2HB ASN 61 -3.374 -10.709 3.219 353 1HD2 ASN 61 1HD2 ASN 61 -1.532 -12.149 2.597 354 2HD2 ASN 61 2HD2 ASN 61 0.043 -11.689 3.137 355 H THR 62 H THR 62 -4.975 -8.366 1.126 356 HA THR 62 HA THR 62 -6.975 -10.500 0.805 357 HB THR 62 HB THR 62 -7.844 -7.722 1.367 358 HG1 THR 62 HG1 THR 62 -6.672 -9.321 3.390 359 1HG2 THR 62 1HG2 THR 62 -8.709 -9.879 3.123 360 2HG2 THR 62 2HG2 THR 62 -9.089 -10.144 1.422 361 3HG2 THR 62 3HG2 THR 62 -9.653 -8.684 2.234 362 H CYS 63 H CYS 63 -8.355 -10.544 -0.912 363 HA CYS 63 HA CYS 63 -8.306 -8.321 -2.808 364 1HB CYS 63 1HB CYS 63 -7.178 -11.013 -3.274 365 2HB CYS 63 2HB CYS 63 -8.210 -10.390 -4.564 366 H THR 64 H THR 64 -10.446 -7.862 -2.408 367 HA THR 64 HA THR 64 -12.397 -9.988 -2.994 368 HB THR 64 HB THR 64 -13.912 -7.996 -1.957 369 HG1 THR 64 HG1 THR 64 -12.256 -6.629 -1.443 370 1HG2 THR 64 1HG2 THR 64 -14.338 -9.457 -0.346 371 2HG2 THR 64 2HG2 THR 64 -12.665 -9.446 0.216 372 3HG2 THR 64 3HG2 THR 64 -13.142 -10.499 -1.115 373 H ASP 65 H ASP 65 -12.907 -9.916 -5.100 374 HA ASP 65 HA ASP 65 -13.657 -9.146 -7.108 375 1HB ASP 65 1HB ASP 65 -15.363 -8.052 -5.500 376 2HB ASP 65 2HB ASP 65 -14.449 -6.564 -5.768 377 H SER 66 H SER 66 -11.268 -9.081 -7.462 378 HA SER 66 HA SER 66 -10.553 -6.568 -8.658 379 1HB SER 66 1HB SER 66 -9.834 -6.066 -6.403 380 2HB SER 66 2HB SER 66 -8.978 -7.609 -6.292 381 HG SER 66 HG SER 66 -7.424 -6.860 -7.589 382 H THR 67 H THR 67 -9.060 -6.810 -10.279 383 HA THR 67 HA THR 67 -8.269 -9.572 -10.840 384 HB THR 67 HB THR 67 -9.410 -8.628 -12.679 385 HG1 THR 67 HG1 THR 67 -7.849 -8.641 -14.262 386 1HG2 THR 67 1HG2 THR 67 -9.608 -6.423 -12.777 387 2HG2 THR 67 2HG2 THR 67 -8.064 -6.447 -13.628 388 3HG2 THR 67 3HG2 THR 67 -8.108 -6.159 -11.889 389 H ASN 68 H ASN 68 -6.156 -10.138 -11.410 390 HA ASN 68 HA ASN 68 -3.860 -9.970 -11.495 391 1HB ASN 68 1HB ASN 68 -4.054 -7.055 -10.713 392 2HB ASN 68 2HB ASN 68 -2.731 -7.878 -11.547 393 1HD2 ASN 68 1HD2 ASN 68 -3.871 -5.552 -12.502 394 2HD2 ASN 68 2HD2 ASN 68 -4.705 -5.894 -13.977 395 H CYS 69 H CYS 69 -4.907 -11.091 -9.355 396 HA CYS 69 HA CYS 69 -3.530 -9.877 -7.050 397 1HB CYS 69 1HB CYS 69 -5.985 -11.625 -7.193 398 2HB CYS 69 2HB CYS 69 -5.101 -11.358 -5.688 399 H TYR 70 H TYR 70 -1.572 -10.908 -7.933 400 HA TYR 70 HA TYR 70 -1.455 -13.808 -7.768 401 1HB TYR 70 1HB TYR 70 0.864 -11.959 -8.308 402 2HB TYR 70 2HB TYR 70 0.684 -13.653 -8.771 403 HD1 TYR 70 HD1 TYR 70 -0.190 -10.197 -9.593 404 HD2 TYR 70 HD2 TYR 70 -0.683 -14.278 -10.690 405 HE1 TYR 70 HE1 TYR 70 -1.061 -9.497 -11.784 406 HE2 TYR 70 HE2 TYR 70 -1.555 -13.589 -12.884 407 HH TYR 70 HH TYR 70 -2.804 -11.198 -13.701 408 H LYS 71 H LYS 71 -2.041 -12.671 -5.301 409 HA LYS 71 HA LYS 71 -0.204 -13.903 -3.617 410 1HB LYS 71 1HB LYS 71 0.921 -11.589 -4.518 411 2HB LYS 71 2HB LYS 71 0.129 -11.027 -3.047 412 1HG LYS 71 1HG LYS 71 2.257 -11.607 -2.337 413 2HG LYS 71 2HG LYS 71 1.283 -13.016 -1.907 414 1HD LYS 71 1HD LYS 71 2.236 -14.336 -3.516 415 2HD LYS 71 2HD LYS 71 2.588 -12.972 -4.580 416 1HE LYS 71 1HE LYS 71 4.248 -12.287 -2.694 417 2HE LYS 71 2HE LYS 71 4.114 -13.977 -2.213 418 1HZ LYS 71 1HZ LYS 71 4.723 -14.555 -4.543 419 2HZ LYS 71 2HZ LYS 71 5.953 -13.786 -3.674 420 3HZ LYS 71 3HZ LYS 71 5.058 -12.918 -4.817 421 H ALA 72 H ALA 72 -3.012 -13.657 -3.933 422 HA ALA 72 HA ALA 72 -3.851 -12.186 -1.536 423 1HB ALA 72 1HB ALA 72 -5.145 -11.606 -3.446 424 2HB ALA 72 2HB ALA 72 -6.164 -12.608 -2.412 425 3HB ALA 72 3HB ALA 72 -5.418 -13.301 -3.852 426 H THR 73 H THR 73 -5.029 -13.173 0.111 427 HA THR 73 HA THR 73 -4.423 -15.970 0.500 428 HB THR 73 HB THR 73 -4.183 -14.365 2.347 429 HG1 THR 73 HG1 THR 73 -6.189 -16.329 2.728 430 1HG2 THR 73 1HG2 THR 73 -5.827 -13.100 3.246 431 2HG2 THR 73 2HG2 THR 73 -7.105 -14.218 2.772 432 3HG2 THR 73 3HG2 THR 73 -6.393 -13.134 1.576 433 H ALA 74 H ALA 74 -7.234 -14.005 -0.221 434 HA ALA 74 HA ALA 74 -8.752 -16.446 -0.752 435 1HB ALA 74 1HB ALA 74 -9.313 -15.808 1.553 436 2HB ALA 74 2HB ALA 74 -10.701 -15.677 0.471 437 3HB ALA 74 3HB ALA 74 -9.834 -14.225 0.976 438 H CYS 75 H CYS 75 -10.273 -16.256 -2.368 439 HA CYS 75 HA CYS 75 -10.915 -13.636 -3.443 440 1HB CYS 75 1HB CYS 75 -8.859 -14.156 -4.634 441 2HB CYS 75 2HB CYS 75 -9.489 -15.739 -5.095 442 H THR 76 H THR 76 -12.948 -13.563 -4.187 443 HA THR 76 HA THR 76 -14.465 -16.057 -4.267 444 HB THR 76 HB THR 76 -15.408 -13.185 -4.397 445 HG1 THR 76 HG1 THR 76 -15.186 -13.241 -2.330 446 1HG2 THR 76 1HG2 THR 76 -17.549 -13.851 -4.444 447 2HG2 THR 76 2HG2 THR 76 -17.232 -15.309 -3.503 448 3HG2 THR 76 3HG2 THR 76 -16.868 -15.275 -5.228 449 H ASN 77 H ASN 77 -14.462 -13.080 -6.221 450 HA ASN 77 HA ASN 77 -14.361 -14.682 -8.660 451 1HB ASN 77 1HB ASN 77 -16.765 -14.359 -8.194 452 2HB ASN 77 2HB ASN 77 -16.512 -12.611 -8.137 453 1HD2 ASN 77 1HD2 ASN 77 -17.893 -12.191 -9.825 454 2HD2 ASN 77 2HD2 ASN 77 -17.526 -12.604 -11.462 455 H SER 78 H SER 78 -12.436 -13.880 -9.339 456 HA SER 78 HA SER 78 -12.380 -11.169 -10.299 457 1HB SER 78 1HB SER 78 -10.940 -10.202 -8.847 458 2HB SER 78 2HB SER 78 -11.641 -11.373 -7.727 459 HG SER 78 HG SER 78 -9.398 -11.483 -7.613 460 H SER 79 H SER 79 -9.781 -10.770 -10.841 461 HA SER 79 HA SER 79 -9.012 -13.124 -12.426 462 1HB SER 79 1HB SER 79 -9.455 -10.410 -13.223 463 2HB SER 79 2HB SER 79 -7.773 -10.844 -13.526 464 HG SER 79 HG SER 79 -8.424 -12.474 -14.842 465 H GLY 80 H GLY 80 -6.775 -13.504 -12.801 466 1HA GLY 80 1HA GLY 80 -4.624 -13.804 -12.072 467 2HA GLY 80 2HA GLY 80 -4.677 -12.110 -11.597 468 H CYS 81 H CYS 81 -7.050 -14.093 -10.130 469 HA CYS 81 HA CYS 81 -5.496 -14.064 -7.634 470 1HB CYS 81 1HB CYS 81 -7.491 -13.747 -6.445 471 2HB CYS 81 2HB CYS 81 -7.716 -12.765 -7.889 472 HA PRO 82 HA PRO 82 -5.546 -18.392 -6.773 473 1HB PRO 82 1HB PRO 82 -7.943 -18.098 -5.008 474 2HB PRO 82 2HB PRO 82 -6.418 -18.949 -4.705 475 1HG PRO 82 1HG PRO 82 -6.854 -16.571 -3.614 476 2HG PRO 82 2HG PRO 82 -5.256 -16.982 -4.267 477 1HD PRO 82 1HD PRO 82 -7.367 -15.210 -5.394 478 2HD PRO 82 2HD PRO 82 -5.602 -15.067 -5.499 479 H GLY 83 H GLY 83 -8.879 -17.179 -7.087 480 1HA GLY 83 1HA GLY 83 -9.725 -18.202 -9.370 481 2HA GLY 83 2HA GLY 83 -9.668 -19.666 -8.402 482 H HIS 84 H HIS 84 -12.031 -19.402 -9.235 483 HA HIS 84 HA HIS 84 -13.548 -18.026 -7.117 484 1HB HIS 84 1HB HIS 84 -15.413 -17.991 -8.938 485 2HB HIS 84 2HB HIS 84 -14.133 -16.784 -8.993 486 HD1 HIS 84 HD1 HIS 84 -12.862 -16.612 -11.128 487 HD2 HIS 84 HD2 HIS 84 -14.976 -20.178 -10.842 488 HE1 HIS 84 HE1 HIS 84 -12.604 -17.729 -13.367 489 HE2 HIS 84 HE2 HIS 84 -13.820 -19.923 -13.140 Start of MODEL 9 1 1H GLN 1 1H GLN 1 -8.027 23.420 0.772 2 2H GLN 1 2H GLN 1 -8.252 22.708 -0.774 3 3H GLN 1 3H GLN 1 -6.670 22.898 -0.135 4 HA GLN 1 HA GLN 1 -7.170 21.382 1.621 5 1HB GLN 1 1HB GLN 1 -9.751 22.056 1.132 6 2HB GLN 1 2HB GLN 1 -9.672 20.505 0.306 7 1HG GLN 1 1HG GLN 1 -10.241 19.720 2.332 8 2HG GLN 1 2HG GLN 1 -8.506 19.834 2.623 9 1HE2 GLN 1 1HE2 GLN 1 -11.276 22.059 2.638 10 2HE2 GLN 1 2HE2 GLN 1 -10.917 22.768 4.171 11 H CYS 2 H CYS 2 -8.063 18.874 0.928 12 HA CYS 2 HA CYS 2 -6.508 18.298 -1.507 13 1HB CYS 2 1HB CYS 2 -6.746 16.751 1.073 14 2HB CYS 2 2HB CYS 2 -6.097 16.042 -0.403 15 H THR 3 H THR 3 -8.568 18.586 -2.640 16 HA THR 3 HA THR 3 -10.399 16.307 -2.317 17 HB THR 3 HB THR 3 -11.722 17.920 -4.023 18 HG1 THR 3 HG1 THR 3 -10.285 19.702 -2.355 19 1HG2 THR 3 1HG2 THR 3 -12.517 19.120 -1.773 20 2HG2 THR 3 2HG2 THR 3 -11.702 17.715 -1.087 21 3HG2 THR 3 3HG2 THR 3 -13.019 17.495 -2.238 22 H GLY 4 H GLY 4 -9.451 18.383 -5.059 23 1HA GLY 4 1HA GLY 4 -8.824 17.862 -7.204 24 2HA GLY 4 2HA GLY 4 -8.113 16.401 -6.522 25 H GLY 5 H GLY 5 -10.471 17.623 -8.569 26 1HA GLY 5 1HA GLY 5 -12.404 15.513 -8.277 27 2HA GLY 5 2HA GLY 5 -12.355 16.714 -9.558 28 H ALA 6 H ALA 6 -9.653 16.137 -10.380 29 HA ALA 6 HA ALA 6 -10.095 13.506 -11.636 30 1HB ALA 6 1HB ALA 6 -8.254 15.393 -12.953 31 2HB ALA 6 2HB ALA 6 -9.954 15.858 -12.941 32 3HB ALA 6 3HB ALA 6 -9.467 14.317 -13.644 33 H ASP 7 H ASP 7 -7.715 15.675 -10.202 34 HA ASP 7 HA ASP 7 -6.042 13.365 -9.585 35 1HB ASP 7 1HB ASP 7 -3.997 14.739 -10.247 36 2HB ASP 7 2HB ASP 7 -4.966 14.084 -11.571 37 H CYS 8 H CYS 8 -4.257 13.986 -8.041 38 HA CYS 8 HA CYS 8 -4.947 16.304 -6.387 39 1HB CYS 8 1HB CYS 8 -5.025 13.438 -5.581 40 2HB CYS 8 2HB CYS 8 -4.393 14.599 -4.411 41 H THR 9 H THR 9 -2.784 15.874 -8.222 42 HA THR 9 HA THR 9 -0.420 15.187 -6.772 43 HB THR 9 HB THR 9 -0.710 16.718 -9.364 44 HG1 THR 9 HG1 THR 9 -1.184 14.869 -10.191 45 1HG2 THR 9 1HG2 THR 9 1.487 16.846 -9.473 46 2HG2 THR 9 2HG2 THR 9 1.621 15.102 -9.254 47 3HG2 THR 9 3HG2 THR 9 1.600 16.168 -7.850 48 H SER 10 H SER 10 -0.723 16.555 -4.897 49 HA SER 10 HA SER 10 0.765 18.967 -5.074 50 1HB SER 10 1HB SER 10 -0.867 20.612 -4.639 51 2HB SER 10 2HB SER 10 -1.581 19.620 -5.910 52 HG SER 10 HG SER 10 -2.349 19.958 -3.284 53 H CYS 11 H CYS 11 -1.540 17.056 -3.193 54 HA CYS 11 HA CYS 11 -0.598 18.021 -0.665 55 1HB CYS 11 1HB CYS 11 -2.212 15.525 -1.214 56 2HB CYS 11 2HB CYS 11 -2.082 16.391 0.313 57 H THR 12 H THR 12 -0.316 15.788 0.894 58 HA THR 12 HA THR 12 1.827 14.183 -0.269 59 HB THR 12 HB THR 12 3.200 14.620 1.838 60 HG1 THR 12 HG1 THR 12 1.574 16.936 1.958 61 1HG2 THR 12 1HG2 THR 12 2.888 17.091 0.175 62 2HG2 THR 12 2HG2 THR 12 3.661 15.631 -0.442 63 3HG2 THR 12 3HG2 THR 12 4.336 16.463 0.959 64 H GLY 13 H GLY 13 -0.252 14.838 2.520 65 1HA GLY 13 1HA GLY 13 0.177 12.499 3.958 66 2HA GLY 13 2HA GLY 13 -1.315 13.424 3.978 67 H ALA 14 H ALA 14 -3.096 12.563 3.073 68 HA ALA 14 HA ALA 14 -2.750 10.116 1.464 69 1HB ALA 14 1HB ALA 14 -5.113 9.596 2.480 70 2HB ALA 14 2HB ALA 14 -4.574 10.696 3.748 71 3HB ALA 14 3HB ALA 14 -3.644 9.241 3.388 72 H CYS 15 H CYS 15 -4.435 9.665 -0.086 73 HA CYS 15 HA CYS 15 -5.542 12.133 -1.209 74 1HB CYS 15 1HB CYS 15 -5.418 9.424 -2.533 75 2HB CYS 15 2HB CYS 15 -5.687 10.984 -3.302 76 H THR 16 H THR 16 -7.697 12.245 -1.954 77 HA THR 16 HA THR 16 -9.540 10.175 -1.014 78 HB THR 16 HB THR 16 -11.018 12.278 -0.328 79 HG1 THR 16 HG1 THR 16 -8.368 13.157 0.165 80 1HG2 THR 16 1HG2 THR 16 -9.563 10.387 1.103 81 2HG2 THR 16 2HG2 THR 16 -10.848 11.434 1.706 82 3HG2 THR 16 3HG2 THR 16 -9.163 11.940 1.837 83 H GLY 17 H GLY 17 -10.031 9.588 -3.109 84 1HA GLY 17 1HA GLY 17 -11.233 9.675 -5.072 85 2HA GLY 17 2HA GLY 17 -11.988 11.148 -4.460 86 H CYS 18 H CYS 18 -8.934 9.966 -5.848 87 HA CYS 18 HA CYS 18 -8.860 12.293 -7.602 88 1HB CYS 18 1HB CYS 18 -6.370 11.605 -6.061 89 2HB CYS 18 2HB CYS 18 -6.743 13.079 -6.957 90 H GLY 19 H GLY 19 -8.258 11.715 -9.593 91 1HA GLY 19 1HA GLY 19 -7.832 9.105 -10.385 92 2HA GLY 19 2HA GLY 19 -7.349 10.512 -11.328 93 H ASN 20 H ASN 20 -5.470 11.381 -9.171 94 HA ASN 20 HA ASN 20 -3.494 9.246 -9.143 95 1HB ASN 20 1HB ASN 20 -2.810 11.929 -10.352 96 2HB ASN 20 2HB ASN 20 -1.768 10.514 -10.237 97 1HD2 ASN 20 1HD2 ASN 20 -4.543 11.911 -11.822 98 2HD2 ASN 20 2HD2 ASN 20 -4.557 10.837 -13.174 99 H CYS 21 H CYS 21 -1.433 10.036 -8.011 100 HA CYS 21 HA CYS 21 -2.062 12.024 -5.943 101 1HB CYS 21 1HB CYS 21 -0.979 9.238 -5.499 102 2HB CYS 21 2HB CYS 21 -0.941 10.508 -4.273 103 HA PRO 22 HA PRO 22 2.111 13.311 -6.626 104 1HB PRO 22 1HB PRO 22 2.646 14.636 -4.354 105 2HB PRO 22 2HB PRO 22 1.429 15.204 -5.498 106 1HG PRO 22 1HG PRO 22 1.077 13.861 -2.878 107 2HG PRO 22 2HG PRO 22 0.048 15.059 -3.676 108 1HD PRO 22 1HD PRO 22 -0.353 12.270 -3.605 109 2HD PRO 22 2HD PRO 22 -1.216 13.436 -4.624 110 H ASN 23 H ASN 23 1.746 12.030 -3.319 111 HA ASN 23 HA ASN 23 3.657 10.001 -3.594 112 1HB ASN 23 1HB ASN 23 5.240 11.283 -1.810 113 2HB ASN 23 2HB ASN 23 5.535 11.280 -3.550 114 1HD2 ASN 23 1HD2 ASN 23 2.994 13.039 -1.854 115 2HD2 ASN 23 2HD2 ASN 23 3.583 14.616 -2.235 116 H ALA 24 H ALA 24 1.202 9.918 -2.596 117 HA ALA 24 HA ALA 24 1.198 10.238 0.278 118 1HB ALA 24 1HB ALA 24 -0.920 8.818 -1.298 119 2HB ALA 24 2HB ALA 24 -0.786 10.577 -1.322 120 3HB ALA 24 3HB ALA 24 -1.078 9.735 0.200 121 H VAL 25 H VAL 25 1.315 8.645 1.803 122 HA VAL 25 HA VAL 25 2.401 6.100 0.923 123 HB VAL 25 HB VAL 25 3.092 5.716 3.132 124 1HG1 VAL 25 1HG1 VAL 25 3.877 7.947 1.847 125 2HG1 VAL 25 2HG1 VAL 25 4.565 7.403 3.376 126 3HG1 VAL 25 3HG1 VAL 25 3.312 8.643 3.365 127 1HG2 VAL 25 1HG2 VAL 25 2.279 6.973 5.077 128 2HG2 VAL 25 2HG2 VAL 25 0.972 6.111 4.264 129 3HG2 VAL 25 3HG2 VAL 25 1.158 7.851 4.036 130 H THR 26 H THR 26 -0.632 7.199 1.178 131 HA THR 26 HA THR 26 -1.745 4.560 1.439 132 HB THR 26 HB THR 26 -3.440 5.720 3.191 133 HG1 THR 26 HG1 THR 26 -0.895 6.724 3.920 134 1HG2 THR 26 1HG2 THR 26 -0.869 4.452 4.095 135 2HG2 THR 26 2HG2 THR 26 -2.265 3.558 3.492 136 3HG2 THR 26 3HG2 THR 26 -2.401 4.515 4.966 137 H CYS 27 H CYS 27 -4.078 4.547 0.930 138 HA CYS 27 HA CYS 27 -5.149 6.994 -0.209 139 1HB CYS 27 1HB CYS 27 -4.235 4.669 -1.841 140 2HB CYS 27 2HB CYS 27 -5.694 5.529 -2.343 141 H THR 28 H THR 28 -7.329 7.047 -0.343 142 HA THR 28 HA THR 28 -8.795 4.615 0.443 143 HB THR 28 HB THR 28 -9.663 7.416 1.155 144 HG1 THR 28 HG1 THR 28 -8.132 7.412 2.570 145 1HG2 THR 28 1HG2 THR 28 -10.449 5.541 3.082 146 2HG2 THR 28 2HG2 THR 28 -10.814 4.828 1.510 147 3HG2 THR 28 3HG2 THR 28 -11.467 6.411 1.934 148 H ASN 29 H ASN 29 -9.363 4.065 -1.643 149 HA ASN 29 HA ASN 29 -10.818 3.981 -3.363 150 1HB ASN 29 1HB ASN 29 -12.743 5.125 -3.203 151 2HB ASN 29 2HB ASN 29 -12.077 5.860 -1.746 152 1HD2 ASN 29 1HD2 ASN 29 -12.899 6.302 -5.064 153 2HD2 ASN 29 2HD2 ASN 29 -12.617 8.005 -5.133 154 H SER 30 H SER 30 -11.219 5.305 -5.429 155 HA SER 30 HA SER 30 -10.448 6.570 -7.204 156 1HB SER 30 1HB SER 30 -9.192 7.862 -5.106 157 2HB SER 30 2HB SER 30 -7.856 7.379 -6.151 158 HG SER 30 HG SER 30 -9.173 8.311 -7.902 159 H GLN 31 H GLN 31 -7.773 6.783 -8.132 160 HA GLN 31 HA GLN 31 -6.796 4.022 -8.131 161 1HB GLN 31 1HB GLN 31 -6.653 5.082 -10.812 162 2HB GLN 31 2HB GLN 31 -7.362 3.572 -10.243 163 1HG GLN 31 1HG GLN 31 -9.367 5.031 -9.550 164 2HG GLN 31 2HG GLN 31 -8.661 6.240 -10.622 165 1HE2 GLN 31 1HE2 GLN 31 -10.949 3.989 -10.498 166 2HE2 GLN 31 2HE2 GLN 31 -10.995 3.479 -12.148 167 H HIS 32 H HIS 32 -4.752 3.914 -9.599 168 HA HIS 32 HA HIS 32 -2.598 4.514 -9.975 169 1HB HIS 32 1HB HIS 32 -4.031 6.707 -10.731 170 2HB HIS 32 2HB HIS 32 -2.950 7.399 -9.519 171 HD1 HIS 32 HD1 HIS 32 -0.766 8.134 -10.403 172 HD2 HIS 32 HD2 HIS 32 -2.453 5.152 -12.753 173 HE1 HIS 32 HE1 HIS 32 0.806 7.837 -12.342 174 HE2 HIS 32 HE2 HIS 32 -0.188 5.964 -13.702 175 H CYS 33 H CYS 33 -3.375 3.838 -7.319 176 HA CYS 33 HA CYS 33 -1.525 5.531 -5.767 177 1HB CYS 33 1HB CYS 33 -4.024 4.065 -4.964 178 2HB CYS 33 2HB CYS 33 -2.800 4.493 -3.766 179 H VAL 34 H VAL 34 -0.317 3.706 -7.282 180 HA VAL 34 HA VAL 34 -0.046 1.106 -6.288 181 HB VAL 34 HB VAL 34 2.273 1.220 -7.370 182 1HG1 VAL 34 1HG1 VAL 34 -0.142 0.665 -8.383 183 2HG1 VAL 34 2HG1 VAL 34 1.339 0.610 -9.338 184 3HG1 VAL 34 3HG1 VAL 34 0.295 2.029 -9.411 185 1HG2 VAL 34 1HG2 VAL 34 3.092 3.152 -8.110 186 2HG2 VAL 34 2HG2 VAL 34 1.777 3.957 -7.253 187 3HG2 VAL 34 3HG2 VAL 34 1.593 3.537 -8.956 188 H LYS 35 H LYS 35 1.090 4.077 -4.988 189 HA LYS 35 HA LYS 35 2.997 2.652 -3.274 190 1HB LYS 35 1HB LYS 35 3.806 4.609 -4.624 191 2HB LYS 35 2HB LYS 35 2.736 5.634 -3.678 192 1HG LYS 35 1HG LYS 35 3.997 4.658 -1.640 193 2HG LYS 35 2HG LYS 35 5.217 4.204 -2.831 194 1HD LYS 35 1HD LYS 35 4.362 6.916 -3.257 195 2HD LYS 35 2HD LYS 35 4.882 6.694 -1.584 196 1HE LYS 35 1HE LYS 35 7.010 5.825 -2.313 197 2HE LYS 35 2HE LYS 35 6.490 5.871 -3.997 198 1HZ LYS 35 1HZ LYS 35 6.622 8.304 -2.315 199 2HZ LYS 35 2HZ LYS 35 6.511 8.205 -4.000 200 3HZ LYS 35 3HZ LYS 35 7.944 7.757 -3.219 201 H ALA 36 H ALA 36 0.248 2.382 -2.762 202 HA ALA 36 HA ALA 36 -0.201 4.093 -0.415 203 1HB ALA 36 1HB ALA 36 -2.534 3.095 -0.525 204 2HB ALA 36 2HB ALA 36 -2.063 2.430 -2.089 205 3HB ALA 36 3HB ALA 36 -2.074 4.176 -1.839 206 H ASN 37 H ASN 37 0.044 3.291 1.578 207 HA ASN 37 HA ASN 37 1.027 0.689 2.027 208 1HB ASN 37 1HB ASN 37 1.280 2.798 3.492 209 2HB ASN 37 2HB ASN 37 -0.287 2.356 4.164 210 1HD2 ASN 37 1HD2 ASN 37 2.780 2.288 4.906 211 2HD2 ASN 37 2HD2 ASN 37 2.900 0.794 5.766 212 H THR 38 H THR 38 -2.198 2.033 2.087 213 HA THR 38 HA THR 38 -3.302 -0.654 2.225 214 HB THR 38 HB THR 38 -4.619 1.327 4.011 215 HG1 THR 38 HG1 THR 38 -3.109 1.310 5.471 216 1HG2 THR 38 1HG2 THR 38 -5.697 -0.449 4.756 217 2HG2 THR 38 2HG2 THR 38 -4.181 -1.268 5.134 218 3HG2 THR 38 3HG2 THR 38 -4.881 -1.411 3.522 219 H CYS 39 H CYS 39 -4.806 -0.831 0.697 220 HA CYS 39 HA CYS 39 -6.046 1.626 -0.329 221 1HB CYS 39 1HB CYS 39 -6.299 -0.987 -1.753 222 2HB CYS 39 2HB CYS 39 -6.220 0.646 -2.413 223 H THR 40 H THR 40 -8.282 1.612 -0.901 224 HA THR 40 HA THR 40 -9.982 -0.483 0.163 225 HB THR 40 HB THR 40 -10.751 2.234 1.075 226 HG1 THR 40 HG1 THR 40 -8.657 0.760 2.289 227 1HG2 THR 40 1HG2 THR 40 -10.879 0.474 3.195 228 2HG2 THR 40 2HG2 THR 40 -11.305 -0.509 1.793 229 3HG2 THR 40 3HG2 THR 40 -12.212 0.962 2.149 230 H GLY 41 H GLY 41 -10.544 -0.729 -2.037 231 1HA GLY 41 1HA GLY 41 -12.085 -0.414 -3.750 232 2HA GLY 41 2HA GLY 41 -12.667 1.016 -2.909 233 H SER 42 H SER 42 -9.580 0.002 -4.357 234 HA SER 42 HA SER 42 -9.697 2.369 -6.053 235 1HB SER 42 1HB SER 42 -8.012 2.102 -3.720 236 2HB SER 42 2HB SER 42 -6.997 2.154 -5.158 237 HG SER 42 HG SER 42 -7.302 4.237 -4.642 238 H THR 43 H THR 43 -6.962 1.965 -6.959 239 HA THR 43 HA THR 43 -6.972 -0.805 -7.844 240 HB THR 43 HB THR 43 -7.124 -0.405 -10.087 241 HG1 THR 43 HG1 THR 43 -6.177 1.220 -11.072 242 1HG2 THR 43 1HG2 THR 43 -8.705 1.552 -10.541 243 2HG2 THR 43 2HG2 THR 43 -8.709 1.776 -8.790 244 3HG2 THR 43 3HG2 THR 43 -9.260 0.252 -9.487 245 H ASP 44 H ASP 44 -4.821 0.219 -9.885 246 HA ASP 44 HA ASP 44 -2.505 -0.359 -9.516 247 1HB ASP 44 1HB ASP 44 -3.304 2.485 -9.424 248 2HB ASP 44 2HB ASP 44 -1.640 2.139 -8.962 249 H CYS 45 H CYS 45 -2.601 -1.692 -7.531 250 HA CYS 45 HA CYS 45 -1.411 -0.248 -5.260 251 1HB CYS 45 1HB CYS 45 -3.803 -2.046 -5.276 252 2HB CYS 45 2HB CYS 45 -2.748 -2.041 -3.859 253 H ASN 46 H ASN 46 0.604 -1.071 -6.075 254 HA ASN 46 HA ASN 46 0.962 -3.967 -5.954 255 1HB ASN 46 1HB ASN 46 1.902 -2.905 -7.909 256 2HB ASN 46 2HB ASN 46 2.793 -1.754 -6.905 257 1HD2 ASN 46 1HD2 ASN 46 4.868 -2.188 -6.937 258 2HD2 ASN 46 2HD2 ASN 46 5.587 -3.758 -6.893 259 H THR 47 H THR 47 2.117 -1.008 -4.360 260 HA THR 47 HA THR 47 3.948 -2.422 -2.669 261 HB THR 47 HB THR 47 3.971 0.081 -3.401 262 HG1 THR 47 HG1 THR 47 5.590 -0.541 -2.117 263 1HG2 THR 47 1HG2 THR 47 3.160 1.608 -1.657 264 2HG2 THR 47 2HG2 THR 47 2.308 0.264 -0.899 265 3HG2 THR 47 3HG2 THR 47 1.848 0.800 -2.515 266 H ALA 48 H ALA 48 0.644 -1.257 -2.353 267 HA ALA 48 HA ALA 48 0.272 -1.499 0.380 268 1HB ALA 48 1HB ALA 48 -1.920 -1.171 -0.043 269 2HB ALA 48 2HB ALA 48 -1.972 -2.393 -1.313 270 3HB ALA 48 3HB ALA 48 -1.319 -0.793 -1.657 271 H GLN 49 H GLN 49 -0.859 -3.139 1.615 272 HA GLN 49 HA GLN 49 0.009 -5.833 0.848 273 1HB GLN 49 1HB GLN 49 -0.239 -6.404 3.207 274 2HB GLN 49 2HB GLN 49 0.795 -4.994 3.018 275 1HG GLN 49 1HG GLN 49 -0.912 -3.531 3.757 276 2HG GLN 49 2HG GLN 49 -2.132 -4.799 3.662 277 1HE2 GLN 49 1HE2 GLN 49 -2.732 -4.583 5.799 278 2HE2 GLN 49 2HE2 GLN 49 -1.726 -5.094 7.107 279 H THR 50 H THR 50 -2.616 -4.116 0.300 280 HA THR 50 HA THR 50 -4.306 -6.295 -0.138 281 HB THR 50 HB THR 50 -4.338 -6.019 2.444 282 HG1 THR 50 HG1 THR 50 -6.106 -7.125 2.274 283 1HG2 THR 50 1HG2 THR 50 -6.442 -3.986 1.830 284 2HG2 THR 50 2HG2 THR 50 -4.796 -3.527 2.270 285 3HG2 THR 50 3HG2 THR 50 -5.782 -4.462 3.396 286 H CYS 51 H CYS 51 -6.460 -5.614 -0.925 287 HA CYS 51 HA CYS 51 -7.214 -2.939 -1.225 288 1HB CYS 51 1HB CYS 51 -6.728 -2.963 -3.834 289 2HB CYS 51 2HB CYS 51 -5.550 -2.343 -2.680 290 H THR 52 H THR 52 -9.327 -3.039 -1.526 291 HA THR 52 HA THR 52 -10.446 -5.381 -2.894 292 HB THR 52 HB THR 52 -11.176 -4.730 -0.528 293 HG1 THR 52 HG1 THR 52 -12.985 -5.115 -2.657 294 1HG2 THR 52 1HG2 THR 52 -11.696 -2.255 -1.685 295 2HG2 THR 52 2HG2 THR 52 -12.168 -2.807 -0.078 296 3HG2 THR 52 3HG2 THR 52 -13.277 -2.994 -1.437 297 H ASN 53 H ASN 53 -11.859 -5.165 -4.627 298 HA ASN 53 HA ASN 53 -12.733 -4.237 -6.513 299 1HB ASN 53 1HB ASN 53 -13.535 -2.577 -4.453 300 2HB ASN 53 2HB ASN 53 -12.805 -1.456 -5.605 301 1HD2 ASN 53 1HD2 ASN 53 -15.355 -3.749 -5.048 302 2HD2 ASN 53 2HD2 ASN 53 -16.321 -3.311 -6.412 303 H SER 54 H SER 54 -9.780 -4.109 -5.807 304 HA SER 54 HA SER 54 -8.900 -1.851 -7.442 305 1HB SER 54 1HB SER 54 -7.455 -1.920 -5.667 306 2HB SER 54 2HB SER 54 -7.624 -3.666 -5.457 307 HG SER 54 HG SER 54 -5.738 -2.281 -6.798 308 H LYS 55 H LYS 55 -6.944 -2.455 -8.935 309 HA LYS 55 HA LYS 55 -7.471 -5.001 -10.293 310 1HB LYS 55 1HB LYS 55 -6.959 -2.478 -11.852 311 2HB LYS 55 2HB LYS 55 -7.564 -4.020 -12.439 312 1HG LYS 55 1HG LYS 55 -9.699 -3.603 -11.763 313 2HG LYS 55 2HG LYS 55 -9.193 -2.566 -10.429 314 1HD LYS 55 1HD LYS 55 -10.105 -1.045 -11.916 315 2HD LYS 55 2HD LYS 55 -8.387 -0.971 -12.312 316 1HE LYS 55 1HE LYS 55 -8.896 -2.742 -14.078 317 2HE LYS 55 2HE LYS 55 -10.595 -2.360 -13.804 318 1HZ LYS 55 1HZ LYS 55 -9.646 -1.113 -15.663 319 2HZ LYS 55 2HZ LYS 55 -8.521 -0.398 -14.623 320 3HZ LYS 55 3HZ LYS 55 -10.171 -0.082 -14.428 321 H ASP 56 H ASP 56 -5.315 -3.790 -8.519 322 HA ASP 56 HA ASP 56 -3.095 -4.799 -10.075 323 1HB ASP 56 1HB ASP 56 -3.424 -1.962 -9.334 324 2HB ASP 56 2HB ASP 56 -1.825 -2.655 -9.047 325 H CYS 57 H CYS 57 -4.481 -5.843 -7.893 326 HA CYS 57 HA CYS 57 -2.994 -5.380 -5.478 327 1HB CYS 57 1HB CYS 57 -5.094 -7.408 -6.259 328 2HB CYS 57 2HB CYS 57 -4.337 -7.377 -4.667 329 H PHE 58 H PHE 58 -0.910 -5.832 -6.718 330 HA PHE 58 HA PHE 58 -0.259 -8.492 -7.459 331 1HB PHE 58 1HB PHE 58 1.417 -6.057 -6.874 332 2HB PHE 58 2HB PHE 58 2.139 -7.606 -7.294 333 HD1 PHE 58 HD1 PHE 58 -0.471 -5.276 -8.501 334 HD2 PHE 58 HD2 PHE 58 2.658 -7.988 -9.439 335 HE1 PHE 58 HE1 PHE 58 -0.707 -4.712 -10.872 336 HE2 PHE 58 HE2 PHE 58 2.431 -7.431 -11.818 337 HZ PHE 58 HZ PHE 58 0.755 -5.792 -12.496 338 H GLU 59 H GLU 59 0.067 -6.657 -4.479 339 HA GLU 59 HA GLU 59 0.838 -9.145 -3.116 340 1HB GLU 59 1HB GLU 59 1.883 -6.432 -2.310 341 2HB GLU 59 2HB GLU 59 2.413 -8.012 -1.736 342 1HG GLU 59 1HG GLU 59 3.337 -8.511 -3.932 343 2HG GLU 59 2HG GLU 59 2.780 -6.948 -4.529 344 H ALA 60 H ALA 60 -1.705 -8.758 -3.139 345 HA ALA 60 HA ALA 60 -2.449 -7.191 -0.767 346 1HB ALA 60 1HB ALA 60 -4.762 -7.405 -1.595 347 2HB ALA 60 2HB ALA 60 -4.156 -8.296 -2.990 348 3HB ALA 60 3HB ALA 60 -3.692 -6.611 -2.750 349 H ASN 61 H ASN 61 -2.579 -8.291 1.057 350 HA ASN 61 HA ASN 61 -2.638 -11.097 1.249 351 1HB ASN 61 1HB ASN 61 -2.864 -8.820 3.127 352 2HB ASN 61 2HB ASN 61 -3.567 -10.338 3.679 353 1HD2 ASN 61 1HD2 ASN 61 -1.010 -8.625 4.172 354 2HD2 ASN 61 2HD2 ASN 61 0.230 -9.825 4.256 355 H THR 62 H THR 62 -5.161 -8.693 1.064 356 HA THR 62 HA THR 62 -7.163 -10.853 1.179 357 HB THR 62 HB THR 62 -7.988 -8.074 1.843 358 HG1 THR 62 HG1 THR 62 -6.692 -9.735 3.737 359 1HG2 THR 62 1HG2 THR 62 -9.807 -9.114 2.528 360 2HG2 THR 62 2HG2 THR 62 -8.858 -10.002 3.720 361 3HG2 THR 62 3HG2 THR 62 -9.089 -10.668 2.102 362 H CYS 63 H CYS 63 -7.472 -11.198 -0.963 363 HA CYS 63 HA CYS 63 -7.909 -8.906 -2.726 364 1HB CYS 63 1HB CYS 63 -6.350 -10.626 -3.503 365 2HB CYS 63 2HB CYS 63 -7.611 -11.854 -3.352 366 H THR 64 H THR 64 -9.936 -8.177 -2.788 367 HA THR 64 HA THR 64 -12.099 -10.132 -3.112 368 HB THR 64 HB THR 64 -13.352 -8.119 -1.753 369 HG1 THR 64 HG1 THR 64 -10.834 -8.491 -0.509 370 1HG2 THR 64 1HG2 THR 64 -12.728 -10.815 -1.279 371 2HG2 THR 64 2HG2 THR 64 -13.956 -9.824 -0.493 372 3HG2 THR 64 3HG2 THR 64 -12.336 -9.929 0.194 373 H ASP 65 H ASP 65 -13.135 -9.776 -4.946 374 HA ASP 65 HA ASP 65 -13.987 -8.771 -6.797 375 1HB ASP 65 1HB ASP 65 -14.469 -6.854 -4.595 376 2HB ASP 65 2HB ASP 65 -14.618 -6.202 -6.230 377 H SER 66 H SER 66 -11.082 -8.616 -6.303 378 HA SER 66 HA SER 66 -10.494 -6.249 -7.957 379 1HB SER 66 1HB SER 66 -8.546 -7.586 -6.069 380 2HB SER 66 2HB SER 66 -8.355 -6.036 -6.898 381 HG SER 66 HG SER 66 -10.174 -6.678 -4.817 382 H THR 67 H THR 67 -8.849 -6.494 -9.577 383 HA THR 67 HA THR 67 -8.669 -9.223 -10.574 384 HB THR 67 HB THR 67 -7.846 -7.911 -12.631 385 HG1 THR 67 HG1 THR 67 -7.502 -5.911 -12.040 386 1HG2 THR 67 1HG2 THR 67 -10.429 -6.892 -12.653 387 2HG2 THR 67 2HG2 THR 67 -10.506 -8.363 -11.683 388 3HG2 THR 67 3HG2 THR 67 -9.878 -8.425 -13.330 389 H ASN 68 H ASN 68 -6.711 -10.188 -11.098 390 HA ASN 68 HA ASN 68 -4.478 -10.616 -11.032 391 1HB ASN 68 1HB ASN 68 -4.200 -7.601 -10.866 392 2HB ASN 68 2HB ASN 68 -2.876 -8.734 -11.146 393 1HD2 ASN 68 1HD2 ASN 68 -5.818 -7.390 -12.478 394 2HD2 ASN 68 2HD2 ASN 68 -5.486 -7.797 -14.123 395 H CYS 69 H CYS 69 -4.565 -11.703 -9.096 396 HA CYS 69 HA CYS 69 -3.398 -10.278 -6.821 397 1HB CYS 69 1HB CYS 69 -5.795 -12.120 -6.727 398 2HB CYS 69 2HB CYS 69 -4.890 -11.610 -5.300 399 H TYR 70 H TYR 70 -1.435 -11.260 -7.521 400 HA TYR 70 HA TYR 70 -1.220 -14.126 -7.645 401 1HB TYR 70 1HB TYR 70 1.113 -12.234 -7.480 402 2HB TYR 70 2HB TYR 70 1.015 -13.800 -8.289 403 HD1 TYR 70 HD1 TYR 70 0.996 -10.325 -8.773 404 HD2 TYR 70 HD2 TYR 70 -0.771 -13.904 -10.245 405 HE1 TYR 70 HE1 TYR 70 0.468 -9.186 -10.887 406 HE2 TYR 70 HE2 TYR 70 -1.304 -12.776 -12.365 407 HH TYR 70 HH TYR 70 -1.160 -9.430 -12.754 408 H LYS 71 H LYS 71 -0.896 -11.734 -5.173 409 HA LYS 71 HA LYS 71 0.166 -13.806 -3.370 410 1HB LYS 71 1HB LYS 71 1.126 -11.102 -3.883 411 2HB LYS 71 2HB LYS 71 0.808 -11.382 -2.173 412 1HG LYS 71 1HG LYS 71 3.041 -11.969 -2.443 413 2HG LYS 71 2HG LYS 71 2.191 -13.516 -2.459 414 1HD LYS 71 1HD LYS 71 2.227 -13.466 -4.932 415 2HD LYS 71 2HD LYS 71 3.167 -11.973 -4.862 416 1HE LYS 71 1HE LYS 71 4.487 -14.098 -5.208 417 2HE LYS 71 2HE LYS 71 5.013 -13.070 -3.876 418 1HZ LYS 71 1HZ LYS 71 4.200 -14.536 -2.312 419 2HZ LYS 71 2HZ LYS 71 4.776 -15.592 -3.500 420 3HZ LYS 71 3HZ LYS 71 3.118 -15.272 -3.385 421 H ALA 72 H ALA 72 -2.419 -13.887 -3.556 422 HA ALA 72 HA ALA 72 -3.421 -12.411 -1.209 423 1HB ALA 72 1HB ALA 72 -5.588 -12.243 -2.210 424 2HB ALA 72 2HB ALA 72 -5.090 -13.240 -3.576 425 3HB ALA 72 3HB ALA 72 -4.404 -11.630 -3.365 426 H THR 73 H THR 73 -3.997 -13.661 0.428 427 HA THR 73 HA THR 73 -4.112 -16.523 0.114 428 HB THR 73 HB THR 73 -3.039 -15.736 2.085 429 HG1 THR 73 HG1 THR 73 -5.614 -16.564 2.923 430 1HG2 THR 73 1HG2 THR 73 -4.375 -14.488 3.837 431 2HG2 THR 73 2HG2 THR 73 -5.506 -14.097 2.542 432 3HG2 THR 73 3HG2 THR 73 -3.828 -13.562 2.440 433 H ALA 74 H ALA 74 -6.341 -14.154 -0.429 434 HA ALA 74 HA ALA 74 -8.564 -15.992 0.152 435 1HB ALA 74 1HB ALA 74 -8.237 -13.160 0.927 436 2HB ALA 74 2HB ALA 74 -9.123 -14.462 1.721 437 3HB ALA 74 3HB ALA 74 -9.829 -13.637 0.332 438 H CYS 75 H CYS 75 -8.624 -16.734 -1.974 439 HA CYS 75 HA CYS 75 -8.965 -14.794 -4.117 440 1HB CYS 75 1HB CYS 75 -7.515 -16.584 -4.695 441 2HB CYS 75 2HB CYS 75 -8.631 -17.796 -4.071 442 H THR 76 H THR 76 -10.989 -13.941 -3.509 443 HA THR 76 HA THR 76 -13.246 -15.714 -4.157 444 HB THR 76 HB THR 76 -13.753 -13.495 -2.257 445 HG1 THR 76 HG1 THR 76 -12.234 -14.151 -0.973 446 1HG2 THR 76 1HG2 THR 76 -15.014 -15.396 -1.111 447 2HG2 THR 76 2HG2 THR 76 -14.713 -16.309 -2.588 448 3HG2 THR 76 3HG2 THR 76 -15.631 -14.806 -2.653 449 H ASN 77 H ASN 77 -13.812 -15.015 -6.131 450 HA ASN 77 HA ASN 77 -14.620 -13.673 -7.778 451 1HB ASN 77 1HB ASN 77 -15.165 -11.745 -5.508 452 2HB ASN 77 2HB ASN 77 -15.836 -11.632 -7.137 453 1HD2 ASN 77 1HD2 ASN 77 -17.201 -13.399 -7.853 454 2HD2 ASN 77 2HD2 ASN 77 -18.166 -14.240 -6.693 455 H SER 78 H SER 78 -12.220 -13.660 -8.249 456 HA SER 78 HA SER 78 -11.360 -10.872 -8.511 457 1HB SER 78 1HB SER 78 -9.160 -12.778 -8.023 458 2HB SER 78 2HB SER 78 -9.380 -11.131 -7.428 459 HG SER 78 HG SER 78 -10.583 -11.872 -5.769 460 H SER 79 H SER 79 -8.931 -11.346 -9.789 461 HA SER 79 HA SER 79 -9.784 -12.808 -12.198 462 1HB SER 79 1HB SER 79 -9.423 -10.138 -12.101 463 2HB SER 79 2HB SER 79 -7.797 -10.656 -12.537 464 HG SER 79 HG SER 79 -9.776 -10.356 -14.163 465 H GLY 80 H GLY 80 -7.045 -11.866 -10.183 466 1HA GLY 80 1HA GLY 80 -5.506 -14.045 -11.447 467 2HA GLY 80 2HA GLY 80 -4.772 -12.589 -10.789 468 H CYS 81 H CYS 81 -7.372 -13.900 -8.976 469 HA CYS 81 HA CYS 81 -5.587 -14.495 -6.795 470 1HB CYS 81 1HB CYS 81 -7.546 -14.756 -5.453 471 2HB CYS 81 2HB CYS 81 -7.819 -13.375 -6.515 472 HA PRO 82 HA PRO 82 -4.983 -18.828 -7.376 473 1HB PRO 82 1HB PRO 82 -5.428 -19.070 -4.449 474 2HB PRO 82 2HB PRO 82 -4.047 -19.591 -5.426 475 1HG PRO 82 1HG PRO 82 -3.878 -17.443 -3.855 476 2HG PRO 82 2HG PRO 82 -3.097 -17.477 -5.447 477 1HD PRO 82 1HD PRO 82 -5.619 -16.117 -4.599 478 2HD PRO 82 2HD PRO 82 -4.363 -15.567 -5.726 479 H GLY 83 H GLY 83 -7.019 -19.129 -8.475 480 1HA GLY 83 1HA GLY 83 -8.623 -21.129 -7.489 481 2HA GLY 83 2HA GLY 83 -9.422 -19.640 -7.008 482 H HIS 84 H HIS 84 -8.249 -21.481 -9.778 483 HA HIS 84 HA HIS 84 -10.521 -20.615 -11.332 484 1HB HIS 84 1HB HIS 84 -7.851 -19.463 -11.731 485 2HB HIS 84 2HB HIS 84 -8.556 -20.134 -13.197 486 HD1 HIS 84 HD1 HIS 84 -8.363 -17.373 -13.658 487 HD2 HIS 84 HD2 HIS 84 -11.420 -18.777 -11.219 488 HE1 HIS 84 HE1 HIS 84 -10.089 -15.544 -13.622 489 HE2 HIS 84 HE2 HIS 84 -11.891 -16.382 -12.073 Start of MODEL 10 1 1H GLN 1 1H GLN 1 -7.826 15.396 5.843 2 2H GLN 1 2H GLN 1 -8.606 16.484 6.917 3 3H GLN 1 3H GLN 1 -7.801 17.080 5.523 4 HA GLN 1 HA GLN 1 -10.051 15.206 5.371 5 1HB GLN 1 1HB GLN 1 -10.551 17.349 6.653 6 2HB GLN 1 2HB GLN 1 -10.212 18.213 5.160 7 1HG GLN 1 1HG GLN 1 -12.616 17.827 5.560 8 2HG GLN 1 2HG GLN 1 -12.035 17.137 4.046 9 1HE2 GLN 1 1HE2 GLN 1 -13.654 15.627 3.891 10 2HE2 GLN 1 2HE2 GLN 1 -13.779 14.268 4.949 11 H CYS 2 H CYS 2 -7.514 15.460 3.895 12 HA CYS 2 HA CYS 2 -8.079 16.790 1.422 13 1HB CYS 2 1HB CYS 2 -5.776 16.128 2.553 14 2HB CYS 2 2HB CYS 2 -5.998 14.656 1.614 15 H THR 3 H THR 3 -10.245 15.596 1.352 16 HA THR 3 HA THR 3 -9.897 13.128 -0.221 17 HB THR 3 HB THR 3 -11.842 12.175 0.729 18 HG1 THR 3 HG1 THR 3 -13.351 13.294 1.782 19 1HG2 THR 3 1HG2 THR 3 -9.734 12.845 2.394 20 2HG2 THR 3 2HG2 THR 3 -10.988 11.641 2.699 21 3HG2 THR 3 3HG2 THR 3 -11.177 13.287 3.306 22 H GLY 4 H GLY 4 -11.348 12.807 -1.957 23 1HA GLY 4 1HA GLY 4 -12.641 13.453 -3.741 24 2HA GLY 4 2HA GLY 4 -13.431 14.581 -2.642 25 H GLY 5 H GLY 5 -11.940 14.471 -5.490 26 1HA GLY 5 1HA GLY 5 -11.725 17.091 -6.042 27 2HA GLY 5 2HA GLY 5 -10.210 16.782 -5.205 28 H ALA 6 H ALA 6 -9.700 17.651 -7.540 29 HA ALA 6 HA ALA 6 -9.717 15.579 -9.565 30 1HB ALA 6 1HB ALA 6 -9.847 18.263 -9.747 31 2HB ALA 6 2HB ALA 6 -9.302 17.219 -11.058 32 3HB ALA 6 3HB ALA 6 -8.122 18.015 -10.018 33 H ASP 7 H ASP 7 -7.248 17.427 -7.782 34 HA ASP 7 HA ASP 7 -5.445 15.131 -8.048 35 1HB ASP 7 1HB ASP 7 -4.979 17.910 -9.011 36 2HB ASP 7 2HB ASP 7 -3.619 17.068 -8.262 37 H CYS 8 H CYS 8 -4.597 14.563 -6.157 38 HA CYS 8 HA CYS 8 -4.842 16.417 -3.906 39 1HB CYS 8 1HB CYS 8 -4.578 13.434 -4.129 40 2HB CYS 8 2HB CYS 8 -4.196 14.252 -2.611 41 H THR 9 H THR 9 -2.764 16.776 -5.878 42 HA THR 9 HA THR 9 -0.304 15.846 -4.685 43 HB THR 9 HB THR 9 0.791 17.128 -6.477 44 HG1 THR 9 HG1 THR 9 -0.517 18.236 -7.974 45 1HG2 THR 9 1HG2 THR 9 0.356 15.645 -8.091 46 2HG2 THR 9 2HG2 THR 9 -1.381 15.946 -8.047 47 3HG2 THR 9 3HG2 THR 9 -0.642 14.872 -6.860 48 H SER 10 H SER 10 -0.803 16.848 -2.574 49 HA SER 10 HA SER 10 0.680 19.222 -2.207 50 1HB SER 10 1HB SER 10 -1.149 20.484 -3.002 51 2HB SER 10 2HB SER 10 -2.324 19.463 -2.175 52 HG SER 10 HG SER 10 -1.918 20.463 -0.318 53 H CYS 11 H CYS 11 -1.942 17.243 -0.865 54 HA CYS 11 HA CYS 11 -1.076 17.663 1.847 55 1HB CYS 11 1HB CYS 11 -2.988 15.540 0.875 56 2HB CYS 11 2HB CYS 11 -2.889 16.249 2.482 57 H THR 12 H THR 12 -0.881 15.536 3.224 58 HA THR 12 HA THR 12 0.711 13.511 1.849 59 HB THR 12 HB THR 12 2.331 15.201 2.602 60 HG1 THR 12 HG1 THR 12 3.500 13.499 2.880 61 1HG2 THR 12 1HG2 THR 12 1.647 14.544 5.439 62 2HG2 THR 12 2HG2 THR 12 0.919 15.918 4.608 63 3HG2 THR 12 3HG2 THR 12 2.668 15.836 4.810 64 H GLY 13 H GLY 13 -1.910 13.434 2.989 65 1HA GLY 13 1HA GLY 13 -1.456 11.700 5.338 66 2HA GLY 13 2HA GLY 13 -2.933 12.608 5.052 67 H ALA 14 H ALA 14 -4.462 11.830 3.598 68 HA ALA 14 HA ALA 14 -3.974 9.094 2.613 69 1HB ALA 14 1HB ALA 14 -5.907 8.325 3.482 70 2HB ALA 14 2HB ALA 14 -6.759 9.844 3.210 71 3HB ALA 14 3HB ALA 14 -5.693 9.669 4.603 72 H CYS 15 H CYS 15 -4.707 8.573 0.589 73 HA CYS 15 HA CYS 15 -5.425 10.834 -1.111 74 1HB CYS 15 1HB CYS 15 -3.909 8.402 -1.445 75 2HB CYS 15 2HB CYS 15 -5.155 8.513 -2.683 76 H THR 16 H THR 16 -7.561 11.222 -1.086 77 HA THR 16 HA THR 16 -9.358 8.962 -1.673 78 HB THR 16 HB THR 16 -10.980 10.805 -0.434 79 HG1 THR 16 HG1 THR 16 -8.528 10.719 0.987 80 1HG2 THR 16 1HG2 THR 16 -9.519 8.557 0.929 81 2HG2 THR 16 2HG2 THR 16 -11.010 8.406 0.000 82 3HG2 THR 16 3HG2 THR 16 -10.992 9.341 1.494 83 H GLY 17 H GLY 17 -10.769 9.230 -3.322 84 1HA GLY 17 1HA GLY 17 -11.572 10.131 -5.288 85 2HA GLY 17 2HA GLY 17 -11.968 11.508 -4.264 86 H CYS 18 H CYS 18 -8.902 10.159 -5.468 87 HA CYS 18 HA CYS 18 -8.422 12.577 -7.018 88 1HB CYS 18 1HB CYS 18 -6.888 11.811 -4.569 89 2HB CYS 18 2HB CYS 18 -6.018 12.546 -5.918 90 H GLY 19 H GLY 19 -7.264 12.181 -8.841 91 1HA GLY 19 1HA GLY 19 -6.457 9.410 -9.293 92 2HA GLY 19 2HA GLY 19 -6.616 10.660 -10.524 93 H ASN 20 H ASN 20 -4.881 11.450 -7.647 94 HA ASN 20 HA ASN 20 -2.299 10.669 -8.658 95 1HB ASN 20 1HB ASN 20 -2.923 13.618 -8.399 96 2HB ASN 20 2HB ASN 20 -1.383 12.907 -8.870 97 1HD2 ASN 20 1HD2 ASN 20 -1.298 11.746 -10.885 98 2HD2 ASN 20 2HD2 ASN 20 -2.356 12.194 -12.175 99 H CYS 21 H CYS 21 -0.822 10.495 -7.039 100 HA CYS 21 HA CYS 21 -1.577 11.593 -4.412 101 1HB CYS 21 1HB CYS 21 -1.532 8.921 -5.042 102 2HB CYS 21 2HB CYS 21 0.075 9.165 -4.353 103 HA PRO 22 HA PRO 22 2.509 13.322 -4.678 104 1HB PRO 22 1HB PRO 22 2.540 14.607 -2.306 105 2HB PRO 22 2HB PRO 22 1.582 15.169 -3.679 106 1HG PRO 22 1HG PRO 22 0.715 13.766 -1.212 107 2HG PRO 22 2HG PRO 22 -0.149 14.957 -2.195 108 1HD PRO 22 1HD PRO 22 -0.523 12.179 -2.247 109 2HD PRO 22 2HD PRO 22 -1.118 13.339 -3.448 110 H ASN 23 H ASN 23 1.753 12.166 -1.371 111 HA ASN 23 HA ASN 23 3.890 10.250 -1.449 112 1HB ASN 23 1HB ASN 23 4.453 11.871 0.871 113 2HB ASN 23 2HB ASN 23 5.536 11.380 -0.433 114 1HD2 ASN 23 1HD2 ASN 23 2.955 13.705 0.277 115 2HD2 ASN 23 2HD2 ASN 23 3.655 15.012 -0.611 116 H ALA 24 H ALA 24 1.020 10.322 -0.939 117 HA ALA 24 HA ALA 24 0.516 10.033 1.838 118 1HB ALA 24 1HB ALA 24 -1.107 10.395 -0.214 119 2HB ALA 24 2HB ALA 24 -1.649 9.591 1.260 120 3HB ALA 24 3HB ALA 24 -1.195 8.634 -0.150 121 H VAL 25 H VAL 25 -0.268 7.989 2.834 122 HA VAL 25 HA VAL 25 1.635 5.855 2.266 123 HB VAL 25 HB VAL 25 -0.315 5.502 4.467 124 1HG1 VAL 25 1HG1 VAL 25 1.904 4.210 3.738 125 2HG1 VAL 25 2HG1 VAL 25 1.346 4.285 5.410 126 3HG1 VAL 25 3HG1 VAL 25 2.614 5.378 4.854 127 1HG2 VAL 25 1HG2 VAL 25 1.733 7.709 4.477 128 2HG2 VAL 25 2HG2 VAL 25 1.060 7.011 5.950 129 3HG2 VAL 25 3HG2 VAL 25 0.003 7.828 4.799 130 H THR 26 H THR 26 -1.863 6.339 2.529 131 HA THR 26 HA THR 26 -2.233 3.843 1.006 132 HB THR 26 HB THR 26 -2.963 3.501 3.312 133 HG1 THR 26 HG1 THR 26 -5.130 2.934 2.840 134 1HG2 THR 26 1HG2 THR 26 -3.493 5.908 3.788 135 2HG2 THR 26 2HG2 THR 26 -4.676 4.733 4.365 136 3HG2 THR 26 3HG2 THR 26 -5.000 5.665 2.903 137 H CYS 27 H CYS 27 -4.627 3.833 0.125 138 HA CYS 27 HA CYS 27 -5.465 6.485 -0.737 139 1HB CYS 27 1HB CYS 27 -4.730 4.295 -2.691 140 2HB CYS 27 2HB CYS 27 -5.529 5.812 -3.116 141 H THR 28 H THR 28 -7.505 6.490 -0.101 142 HA THR 28 HA THR 28 -9.121 4.063 -0.382 143 HB THR 28 HB THR 28 -10.078 6.607 0.896 144 HG1 THR 28 HG1 THR 28 -8.048 6.135 1.830 145 1HG2 THR 28 1HG2 THR 28 -11.817 5.329 1.369 146 2HG2 THR 28 2HG2 THR 28 -10.765 4.399 2.436 147 3HG2 THR 28 3HG2 THR 28 -11.000 3.887 0.765 148 H ASN 29 H ASN 29 -9.855 3.935 -2.429 149 HA ASN 29 HA ASN 29 -11.262 4.344 -4.148 150 1HB ASN 29 1HB ASN 29 -12.796 5.504 -2.641 151 2HB ASN 29 2HB ASN 29 -11.834 6.970 -2.773 152 1HD2 ASN 29 1HD2 ASN 29 -12.818 8.416 -3.966 153 2HD2 ASN 29 2HD2 ASN 29 -13.711 8.109 -5.413 154 H SER 30 H SER 30 -11.358 5.765 -6.068 155 HA SER 30 HA SER 30 -10.443 7.172 -7.649 156 1HB SER 30 1HB SER 30 -9.318 8.241 -5.354 157 2HB SER 30 2HB SER 30 -7.933 7.861 -6.379 158 HG SER 30 HG SER 30 -10.208 9.385 -7.122 159 H GLN 31 H GLN 31 -7.883 7.426 -8.542 160 HA GLN 31 HA GLN 31 -6.753 4.724 -8.601 161 1HB GLN 31 1HB GLN 31 -6.479 5.171 -11.171 162 2HB GLN 31 2HB GLN 31 -7.982 4.504 -10.538 163 1HG GLN 31 1HG GLN 31 -8.951 6.113 -11.738 164 2HG GLN 31 2HG GLN 31 -8.474 7.179 -10.420 165 1HE2 GLN 31 1HE2 GLN 31 -8.197 8.999 -11.626 166 2HE2 GLN 31 2HE2 GLN 31 -6.959 9.177 -12.817 167 H HIS 32 H HIS 32 -4.777 4.906 -10.323 168 HA HIS 32 HA HIS 32 -2.702 5.711 -10.759 169 1HB HIS 32 1HB HIS 32 -4.286 8.116 -10.415 170 2HB HIS 32 2HB HIS 32 -2.625 8.358 -9.871 171 HD1 HIS 32 HD1 HIS 32 -1.371 6.417 -12.069 172 HD2 HIS 32 HD2 HIS 32 -3.996 9.564 -12.757 173 HE1 HIS 32 HE1 HIS 32 -1.001 7.090 -14.464 174 HE2 HIS 32 HE2 HIS 32 -2.558 9.035 -14.841 175 H CYS 33 H CYS 33 -3.494 4.598 -8.153 176 HA CYS 33 HA CYS 33 -1.394 5.819 -6.482 177 1HB CYS 33 1HB CYS 33 -4.097 4.838 -5.857 178 2HB CYS 33 2HB CYS 33 -2.846 4.293 -4.738 179 H VAL 34 H VAL 34 -0.074 4.398 -7.981 180 HA VAL 34 HA VAL 34 -0.146 1.566 -7.600 181 HB VAL 34 HB VAL 34 0.738 2.701 -9.652 182 1HG1 VAL 34 1HG1 VAL 34 3.073 3.322 -7.837 183 2HG1 VAL 34 2HG1 VAL 34 2.011 4.485 -8.635 184 3HG1 VAL 34 3HG1 VAL 34 3.090 3.475 -9.596 185 1HG2 VAL 34 1HG2 VAL 34 1.498 0.632 -9.948 186 2HG2 VAL 34 2HG2 VAL 34 1.835 0.440 -8.228 187 3HG2 VAL 34 3HG2 VAL 34 3.039 1.178 -9.286 188 H LYS 35 H LYS 35 1.664 4.223 -6.200 189 HA LYS 35 HA LYS 35 3.298 2.367 -4.657 190 1HB LYS 35 1HB LYS 35 4.764 4.133 -4.266 191 2HB LYS 35 2HB LYS 35 4.184 4.444 -5.891 192 1HG LYS 35 1HG LYS 35 3.643 6.489 -5.252 193 2HG LYS 35 2HG LYS 35 2.416 5.796 -4.190 194 1HD LYS 35 1HD LYS 35 3.715 7.126 -2.770 195 2HD LYS 35 2HD LYS 35 4.327 5.492 -2.504 196 1HE LYS 35 1HE LYS 35 6.255 6.795 -2.713 197 2HE LYS 35 2HE LYS 35 6.062 6.053 -4.302 198 1HZ LYS 35 1HZ LYS 35 5.416 8.032 -5.244 199 2HZ LYS 35 2HZ LYS 35 6.555 8.569 -4.116 200 3HZ LYS 35 3HZ LYS 35 4.903 8.707 -3.780 201 H ALA 36 H ALA 36 0.463 2.609 -4.093 202 HA ALA 36 HA ALA 36 0.420 3.967 -1.499 203 1HB ALA 36 1HB ALA 36 -1.925 3.894 -1.593 204 2HB ALA 36 2HB ALA 36 -1.922 2.619 -2.813 205 3HB ALA 36 3HB ALA 36 -1.418 4.253 -3.245 206 H ASN 37 H ASN 37 0.261 2.902 0.414 207 HA ASN 37 HA ASN 37 1.086 0.226 0.589 208 1HB ASN 37 1HB ASN 37 -0.065 2.178 2.554 209 2HB ASN 37 2HB ASN 37 0.164 0.497 3.023 210 1HD2 ASN 37 1HD2 ASN 37 1.903 3.190 1.509 211 2HD2 ASN 37 2HD2 ASN 37 3.426 2.842 2.243 212 H THR 38 H THR 38 -2.067 1.640 0.281 213 HA THR 38 HA THR 38 -3.219 -1.038 0.149 214 HB THR 38 HB THR 38 -4.418 1.165 1.834 215 HG1 THR 38 HG1 THR 38 -3.880 -0.131 3.567 216 1HG2 THR 38 1HG2 THR 38 -6.253 -0.039 1.092 217 2HG2 THR 38 2HG2 THR 38 -5.855 -0.792 2.637 218 3HG2 THR 38 3HG2 THR 38 -5.381 -1.572 1.128 219 H CYS 39 H CYS 39 -5.410 -1.022 -0.819 220 HA CYS 39 HA CYS 39 -5.963 1.355 -2.441 221 1HB CYS 39 1HB CYS 39 -4.925 -1.170 -3.417 222 2HB CYS 39 2HB CYS 39 -6.502 -0.829 -4.130 223 H THR 40 H THR 40 -7.666 1.488 -0.765 224 HA THR 40 HA THR 40 -9.780 -0.504 -0.917 225 HB THR 40 HB THR 40 -9.601 2.052 0.690 226 HG1 THR 40 HG1 THR 40 -8.725 0.882 2.227 227 1HG2 THR 40 1HG2 THR 40 -11.891 0.704 0.191 228 2HG2 THR 40 2HG2 THR 40 -11.566 1.625 1.660 229 3HG2 THR 40 3HG2 THR 40 -11.314 -0.120 1.640 230 H GLY 41 H GLY 41 -10.798 -0.337 -2.868 231 1HA GLY 41 1HA GLY 41 -12.491 0.510 -4.232 232 2HA GLY 41 2HA GLY 41 -12.515 1.964 -3.241 233 H SER 42 H SER 42 -9.574 0.712 -4.677 234 HA SER 42 HA SER 42 -9.707 2.871 -6.658 235 1HB SER 42 1HB SER 42 -7.261 2.253 -4.970 236 2HB SER 42 2HB SER 42 -7.412 3.541 -6.165 237 HG SER 42 HG SER 42 -7.913 4.626 -4.405 238 H THR 43 H THR 43 -7.175 2.423 -7.781 239 HA THR 43 HA THR 43 -7.099 -0.437 -8.321 240 HB THR 43 HB THR 43 -7.611 -0.357 -10.526 241 HG1 THR 43 HG1 THR 43 -7.198 1.438 -11.862 242 1HG2 THR 43 1HG2 THR 43 -9.274 1.471 -11.074 243 2HG2 THR 43 2HG2 THR 43 -9.011 2.055 -9.430 244 3HG2 THR 43 3HG2 THR 43 -9.644 0.430 -9.698 245 H ASP 44 H ASP 44 -5.309 0.394 -10.742 246 HA ASP 44 HA ASP 44 -2.970 0.033 -10.780 247 1HB ASP 44 1HB ASP 44 -3.285 2.935 -9.991 248 2HB ASP 44 2HB ASP 44 -1.969 2.234 -10.929 249 H CYS 45 H CYS 45 -2.675 -1.345 -8.914 250 HA CYS 45 HA CYS 45 -1.109 -0.029 -6.824 251 1HB CYS 45 1HB CYS 45 -3.714 -1.277 -6.461 252 2HB CYS 45 2HB CYS 45 -2.477 -2.039 -5.458 253 H ASN 46 H ASN 46 0.821 -0.952 -6.902 254 HA ASN 46 HA ASN 46 0.975 -3.845 -7.434 255 1HB ASN 46 1HB ASN 46 2.913 -3.561 -8.661 256 2HB ASN 46 2HB ASN 46 2.055 -2.069 -9.051 257 1HD2 ASN 46 1HD2 ASN 46 4.536 -3.460 -6.978 258 2HD2 ASN 46 2HD2 ASN 46 5.428 -1.998 -6.752 259 H THR 47 H THR 47 1.981 -1.212 -5.379 260 HA THR 47 HA THR 47 3.618 -2.988 -3.740 261 HB THR 47 HB THR 47 4.424 -1.032 -2.648 262 HG1 THR 47 HG1 THR 47 2.830 0.317 -2.263 263 1HG2 THR 47 1HG2 THR 47 5.155 0.446 -4.459 264 2HG2 THR 47 2HG2 THR 47 4.035 -0.366 -5.555 265 3HG2 THR 47 3HG2 THR 47 5.381 -1.259 -4.850 266 H ALA 48 H ALA 48 0.469 -1.574 -3.812 267 HA ALA 48 HA ALA 48 -0.228 -1.324 -1.166 268 1HB ALA 48 1HB ALA 48 -2.004 -0.722 -2.410 269 2HB ALA 48 2HB ALA 48 -2.503 -2.395 -2.160 270 3HB ALA 48 3HB ALA 48 -1.680 -1.933 -3.650 271 H GLN 49 H GLN 49 -1.077 -2.690 0.425 272 HA GLN 49 HA GLN 49 -0.235 -5.482 0.149 273 1HB GLN 49 1HB GLN 49 -0.141 -3.556 2.273 274 2HB GLN 49 2HB GLN 49 -1.061 -4.958 2.802 275 1HG GLN 49 1HG GLN 49 0.752 -6.249 2.923 276 2HG GLN 49 2HG GLN 49 1.399 -5.647 1.397 277 1HE2 GLN 49 1HE2 GLN 49 1.107 -4.980 4.831 278 2HE2 GLN 49 2HE2 GLN 49 2.497 -3.961 4.944 279 H THR 50 H THR 50 -3.013 -3.780 -0.280 280 HA THR 50 HA THR 50 -4.664 -6.015 -0.398 281 HB THR 50 HB THR 50 -4.329 -5.737 2.138 282 HG1 THR 50 HG1 THR 50 -6.520 -6.307 2.488 283 1HG2 THR 50 1HG2 THR 50 -5.572 -4.184 3.327 284 2HG2 THR 50 2HG2 THR 50 -6.516 -3.717 1.911 285 3HG2 THR 50 3HG2 THR 50 -4.822 -3.239 2.040 286 H CYS 51 H CYS 51 -6.973 -5.442 -0.726 287 HA CYS 51 HA CYS 51 -7.715 -2.716 -1.126 288 1HB CYS 51 1HB CYS 51 -8.108 -3.039 -3.640 289 2HB CYS 51 2HB CYS 51 -6.451 -2.739 -3.110 290 H THR 52 H THR 52 -9.930 -2.490 -1.840 291 HA THR 52 HA THR 52 -11.468 -4.983 -1.515 292 HB THR 52 HB THR 52 -11.632 -3.363 0.386 293 HG1 THR 52 HG1 THR 52 -13.348 -4.839 -0.223 294 1HG2 THR 52 1HG2 THR 52 -11.753 -1.372 -1.385 295 2HG2 THR 52 2HG2 THR 52 -12.441 -1.271 0.236 296 3HG2 THR 52 3HG2 THR 52 -13.477 -1.649 -1.139 297 H ASN 53 H ASN 53 -10.555 -2.920 -3.834 298 HA ASN 53 HA ASN 53 -12.520 -3.695 -5.670 299 1HB ASN 53 1HB ASN 53 -13.367 -1.563 -4.024 300 2HB ASN 53 2HB ASN 53 -12.989 -0.851 -5.595 301 1HD2 ASN 53 1HD2 ASN 53 -13.713 -2.681 -7.374 302 2HD2 ASN 53 2HD2 ASN 53 -15.399 -3.043 -7.257 303 H SER 54 H SER 54 -9.774 -3.661 -5.680 304 HA SER 54 HA SER 54 -9.084 -1.495 -7.552 305 1HB SER 54 1HB SER 54 -6.952 -1.492 -6.736 306 2HB SER 54 2HB SER 54 -7.753 -2.155 -5.309 307 HG SER 54 HG SER 54 -5.880 -3.278 -6.839 308 H LYS 55 H LYS 55 -7.791 -2.036 -9.417 309 HA LYS 55 HA LYS 55 -8.461 -4.687 -10.468 310 1HB LYS 55 1HB LYS 55 -7.519 -2.188 -11.888 311 2HB LYS 55 2HB LYS 55 -7.908 -3.711 -12.678 312 1HG LYS 55 1HG LYS 55 -9.980 -2.476 -10.951 313 2HG LYS 55 2HG LYS 55 -9.647 -1.732 -12.516 314 1HD LYS 55 1HD LYS 55 -9.983 -3.964 -13.572 315 2HD LYS 55 2HD LYS 55 -10.471 -4.588 -11.995 316 1HE LYS 55 1HE LYS 55 -12.547 -3.977 -12.523 317 2HE LYS 55 2HE LYS 55 -12.012 -2.309 -12.321 318 1HZ LYS 55 1HZ LYS 55 -11.976 -1.961 -14.532 319 2HZ LYS 55 2HZ LYS 55 -13.087 -3.236 -14.561 320 3HZ LYS 55 3HZ LYS 55 -11.456 -3.529 -14.902 321 H ASP 56 H ASP 56 -6.290 -4.200 -8.560 322 HA ASP 56 HA ASP 56 -4.177 -5.501 -10.025 323 1HB ASP 56 1HB ASP 56 -3.642 -3.010 -8.395 324 2HB ASP 56 2HB ASP 56 -2.445 -3.979 -9.261 325 H CYS 57 H CYS 57 -2.538 -4.696 -7.506 326 HA CYS 57 HA CYS 57 -2.133 -5.453 -5.391 327 1HB CYS 57 1HB CYS 57 -4.902 -6.676 -5.540 328 2HB CYS 57 2HB CYS 57 -3.877 -6.645 -4.107 329 H PHE 58 H PHE 58 -0.488 -6.670 -6.325 330 HA PHE 58 HA PHE 58 -1.074 -9.435 -7.026 331 1HB PHE 58 1HB PHE 58 1.560 -7.977 -7.227 332 2HB PHE 58 2HB PHE 58 1.117 -9.491 -7.997 333 HD1 PHE 58 HD1 PHE 58 -0.337 -9.543 -9.887 334 HD2 PHE 58 HD2 PHE 58 0.866 -5.889 -8.083 335 HE1 PHE 58 HE1 PHE 58 -1.026 -8.330 -11.900 336 HE2 PHE 58 HE2 PHE 58 0.171 -4.665 -10.091 337 HZ PHE 58 HZ PHE 58 -0.761 -5.904 -11.977 338 H GLU 59 H GLU 59 0.515 -7.518 -4.584 339 HA GLU 59 HA GLU 59 1.248 -10.001 -3.176 340 1HB GLU 59 1HB GLU 59 2.898 -8.447 -1.943 341 2HB GLU 59 2HB GLU 59 3.296 -8.956 -3.583 342 1HG GLU 59 1HG GLU 59 1.768 -6.472 -3.467 343 2HG GLU 59 2HG GLU 59 3.330 -6.389 -2.653 344 H ALA 60 H ALA 60 -1.322 -8.691 -3.096 345 HA ALA 60 HA ALA 60 -1.464 -7.288 -0.575 346 1HB ALA 60 1HB ALA 60 -3.087 -6.426 -1.910 347 2HB ALA 60 2HB ALA 60 -4.035 -7.701 -1.144 348 3HB ALA 60 3HB ALA 60 -3.358 -7.951 -2.752 349 H ASN 61 H ASN 61 -2.436 -8.027 1.310 350 HA ASN 61 HA ASN 61 -2.243 -10.873 1.735 351 1HB ASN 61 1HB ASN 61 -2.808 -8.525 3.536 352 2HB ASN 61 2HB ASN 61 -2.953 -10.185 4.109 353 1HD2 ASN 61 1HD2 ASN 61 -0.697 -7.999 2.478 354 2HD2 ASN 61 2HD2 ASN 61 0.729 -8.652 3.200 355 H THR 62 H THR 62 -4.770 -8.476 1.380 356 HA THR 62 HA THR 62 -6.747 -10.651 1.504 357 HB THR 62 HB THR 62 -7.626 -7.946 2.348 358 HG1 THR 62 HG1 THR 62 -6.512 -7.903 4.124 359 1HG2 THR 62 1HG2 THR 62 -8.985 -10.168 2.275 360 2HG2 THR 62 2HG2 THR 62 -9.190 -9.034 3.610 361 3HG2 THR 62 3HG2 THR 62 -8.186 -10.469 3.818 362 H CYS 63 H CYS 63 -6.328 -10.575 -0.859 363 HA CYS 63 HA CYS 63 -7.127 -8.293 -2.374 364 1HB CYS 63 1HB CYS 63 -6.138 -10.989 -2.921 365 2HB CYS 63 2HB CYS 63 -7.367 -10.476 -4.077 366 H THR 64 H THR 64 -9.178 -7.913 -1.241 367 HA THR 64 HA THR 64 -11.332 -9.770 -1.901 368 HB THR 64 HB THR 64 -12.200 -7.386 -0.516 369 HG1 THR 64 HG1 THR 64 -10.238 -7.147 0.388 370 1HG2 THR 64 1HG2 THR 64 -12.020 -10.261 0.346 371 2HG2 THR 64 2HG2 THR 64 -13.418 -9.457 -0.368 372 3HG2 THR 64 3HG2 THR 64 -12.847 -8.981 1.232 373 H ASP 65 H ASP 65 -12.609 -9.474 -3.598 374 HA ASP 65 HA ASP 65 -13.542 -8.546 -5.456 375 1HB ASP 65 1HB ASP 65 -14.633 -7.264 -3.482 376 2HB ASP 65 2HB ASP 65 -13.612 -5.916 -3.994 377 H SER 66 H SER 66 -11.073 -8.808 -6.039 378 HA SER 66 HA SER 66 -10.376 -6.392 -7.494 379 1HB SER 66 1HB SER 66 -8.345 -5.967 -6.521 380 2HB SER 66 2HB SER 66 -9.159 -6.656 -5.112 381 HG SER 66 HG SER 66 -7.351 -7.922 -6.885 382 H THR 67 H THR 67 -8.216 -6.967 -8.797 383 HA THR 67 HA THR 67 -8.332 -9.754 -9.670 384 HB THR 67 HB THR 67 -9.811 -8.695 -11.194 385 HG1 THR 67 HG1 THR 67 -8.774 -9.080 -13.083 386 1HG2 THR 67 1HG2 THR 67 -8.669 -6.765 -12.626 387 2HG2 THR 67 2HG2 THR 67 -7.902 -6.457 -11.069 388 3HG2 THR 67 3HG2 THR 67 -9.662 -6.450 -11.204 389 H ASN 68 H ASN 68 -6.485 -10.458 -10.921 390 HA ASN 68 HA ASN 68 -4.289 -10.471 -11.557 391 1HB ASN 68 1HB ASN 68 -4.106 -7.549 -10.811 392 2HB ASN 68 2HB ASN 68 -3.073 -8.452 -11.926 393 1HD2 ASN 68 1HD2 ASN 68 -5.043 -9.841 -13.329 394 2HD2 ASN 68 2HD2 ASN 68 -5.951 -8.709 -14.267 395 H CYS 69 H CYS 69 -4.952 -11.304 -8.979 396 HA CYS 69 HA CYS 69 -2.732 -10.292 -7.332 397 1HB CYS 69 1HB CYS 69 -4.998 -12.087 -6.439 398 2HB CYS 69 2HB CYS 69 -3.844 -11.233 -5.412 399 H TYR 70 H TYR 70 -1.718 -12.074 -5.912 400 HA TYR 70 HA TYR 70 -1.807 -14.751 -6.593 401 1HB TYR 70 1HB TYR 70 0.274 -15.089 -7.877 402 2HB TYR 70 2HB TYR 70 -0.963 -14.222 -8.780 403 HD1 TYR 70 HD1 TYR 70 -0.454 -12.199 -9.816 404 HD2 TYR 70 HD2 TYR 70 2.167 -13.701 -6.818 405 HE1 TYR 70 HE1 TYR 70 1.212 -10.486 -10.409 406 HE2 TYR 70 HE2 TYR 70 3.823 -11.982 -7.389 407 HH TYR 70 HH TYR 70 3.200 -9.302 -9.039 408 H LYS 71 H LYS 71 -1.567 -13.194 -4.298 409 HA LYS 71 HA LYS 71 0.394 -14.678 -2.901 410 1HB LYS 71 1HB LYS 71 1.075 -11.896 -3.716 411 2HB LYS 71 2HB LYS 71 1.513 -12.399 -2.085 412 1HG LYS 71 1HG LYS 71 2.491 -14.483 -3.403 413 2HG LYS 71 2HG LYS 71 2.573 -13.293 -4.704 414 1HD LYS 71 1HD LYS 71 3.567 -12.410 -2.066 415 2HD LYS 71 2HD LYS 71 4.525 -13.647 -2.884 416 1HE LYS 71 1HE LYS 71 4.297 -12.080 -4.946 417 2HE LYS 71 2HE LYS 71 3.902 -10.850 -3.746 418 1HZ LYS 71 1HZ LYS 71 6.275 -12.459 -3.232 419 2HZ LYS 71 2HZ LYS 71 6.005 -10.811 -2.961 420 3HZ LYS 71 3HZ LYS 71 6.375 -11.362 -4.517 421 H ALA 72 H ALA 72 -2.425 -14.063 -2.772 422 HA ALA 72 HA ALA 72 -2.526 -12.791 -0.111 423 1HB ALA 72 1HB ALA 72 -4.568 -11.786 -0.595 424 2HB ALA 72 2HB ALA 72 -4.876 -12.848 -1.968 425 3HB ALA 72 3HB ALA 72 -3.651 -11.585 -2.088 426 H THR 73 H THR 73 -4.063 -13.629 1.385 427 HA THR 73 HA THR 73 -4.482 -16.496 1.060 428 HB THR 73 HB THR 73 -3.439 -15.705 3.133 429 HG1 THR 73 HG1 THR 73 -6.061 -16.703 3.542 430 1HG2 THR 73 1HG2 THR 73 -5.914 -14.600 4.248 431 2HG2 THR 73 2HG2 THR 73 -5.092 -13.578 3.070 432 3HG2 THR 73 3HG2 THR 73 -4.235 -14.131 4.509 433 H ALA 74 H ALA 74 -6.288 -13.517 1.477 434 HA ALA 74 HA ALA 74 -8.823 -14.975 1.445 435 1HB ALA 74 1HB ALA 74 -9.764 -13.200 2.479 436 2HB ALA 74 2HB ALA 74 -8.838 -12.027 1.544 437 3HB ALA 74 3HB ALA 74 -8.092 -12.846 2.917 438 H CYS 75 H CYS 75 -9.236 -15.605 -0.613 439 HA CYS 75 HA CYS 75 -9.171 -13.527 -2.701 440 1HB CYS 75 1HB CYS 75 -8.906 -16.530 -2.941 441 2HB CYS 75 2HB CYS 75 -9.051 -15.436 -4.319 442 H THR 76 H THR 76 -11.114 -12.751 -3.141 443 HA THR 76 HA THR 76 -13.367 -14.619 -3.362 444 HB THR 76 HB THR 76 -13.810 -13.660 -1.261 445 HG1 THR 76 HG1 THR 76 -15.598 -12.313 -1.670 446 1HG2 THR 76 1HG2 THR 76 -12.082 -11.798 -1.565 447 2HG2 THR 76 2HG2 THR 76 -13.515 -11.458 -0.593 448 3HG2 THR 76 3HG2 THR 76 -13.414 -10.867 -2.251 449 H ASN 77 H ASN 77 -13.396 -14.561 -5.576 450 HA ASN 77 HA ASN 77 -14.018 -13.809 -7.633 451 1HB ASN 77 1HB ASN 77 -15.569 -12.310 -5.882 452 2HB ASN 77 2HB ASN 77 -14.821 -11.093 -6.918 453 1HD2 ASN 77 1HD2 ASN 77 -16.154 -10.537 -8.466 454 2HD2 ASN 77 2HD2 ASN 77 -17.166 -11.600 -9.378 455 H SER 78 H SER 78 -11.724 -13.819 -8.080 456 HA SER 78 HA SER 78 -10.794 -11.168 -8.841 457 1HB SER 78 1HB SER 78 -8.756 -12.911 -7.540 458 2HB SER 78 2HB SER 78 -8.846 -11.148 -7.617 459 HG SER 78 HG SER 78 -10.040 -12.923 -5.829 460 H SER 79 H SER 79 -8.910 -11.265 -10.304 461 HA SER 79 HA SER 79 -9.194 -13.480 -12.139 462 1HB SER 79 1HB SER 79 -9.120 -11.013 -12.812 463 2HB SER 79 2HB SER 79 -7.384 -11.121 -12.522 464 HG SER 79 HG SER 79 -8.802 -12.860 -14.255 465 H GLY 80 H GLY 80 -6.771 -12.085 -10.035 466 1HA GLY 80 1HA GLY 80 -4.894 -14.202 -10.845 467 2HA GLY 80 2HA GLY 80 -4.441 -12.697 -10.063 468 H CYS 81 H CYS 81 -6.905 -13.166 -8.257 469 HA CYS 81 HA CYS 81 -5.398 -14.485 -6.191 470 1HB CYS 81 1HB CYS 81 -7.234 -12.502 -6.133 471 2HB CYS 81 2HB CYS 81 -8.254 -13.880 -5.712 472 HA PRO 82 HA PRO 82 -6.577 -18.681 -7.220 473 1HB PRO 82 1HB PRO 82 -6.265 -18.813 -4.242 474 2HB PRO 82 2HB PRO 82 -5.680 -19.932 -5.485 475 1HG PRO 82 1HG PRO 82 -4.047 -18.141 -4.339 476 2HG PRO 82 2HG PRO 82 -3.895 -18.579 -6.050 477 1HD PRO 82 1HD PRO 82 -4.876 -16.079 -4.828 478 2HD PRO 82 2HD PRO 82 -4.204 -16.359 -6.445 479 H GLY 83 H GLY 83 -8.580 -19.410 -7.503 480 1HA GLY 83 1HA GLY 83 -10.483 -20.030 -5.685 481 2HA GLY 83 2HA GLY 83 -10.772 -18.319 -5.966 482 H HIS 84 H HIS 84 -12.537 -20.538 -6.547 483 HA HIS 84 HA HIS 84 -12.549 -21.251 -9.253 484 1HB HIS 84 1HB HIS 84 -13.996 -22.087 -7.224 485 2HB HIS 84 2HB HIS 84 -15.118 -20.846 -7.768 486 HD1 HIS 84 HD1 HIS 84 -13.272 -23.825 -9.252 487 HD2 HIS 84 HD2 HIS 84 -16.826 -21.715 -9.676 488 HE1 HIS 84 HE1 HIS 84 -14.597 -25.082 -10.980 489 HE2 HIS 84 HE2 HIS 84 -16.781 -23.838 -11.154 Start of MODEL 11 1 1H GLN 1 1H GLN 1 -3.697 21.073 4.830 2 2H GLN 1 2H GLN 1 -4.284 20.726 6.406 3 3H GLN 1 3H GLN 1 -5.307 21.483 5.254 4 HA GLN 1 HA GLN 1 -4.130 18.830 4.831 5 1HB GLN 1 1HB GLN 1 -6.669 19.643 6.246 6 2HB GLN 1 2HB GLN 1 -6.440 18.038 5.567 7 1HG GLN 1 1HG GLN 1 -5.112 17.384 7.240 8 2HG GLN 1 2HG GLN 1 -4.256 18.924 7.296 9 1HE2 GLN 1 1HE2 GLN 1 -6.075 20.732 7.919 10 2HE2 GLN 1 2HE2 GLN 1 -6.832 20.388 9.433 11 H CYS 2 H CYS 2 -4.412 18.277 2.777 12 HA CYS 2 HA CYS 2 -6.601 19.546 1.266 13 1HB CYS 2 1HB CYS 2 -5.209 19.349 -0.736 14 2HB CYS 2 2HB CYS 2 -4.382 20.281 0.508 15 H THR 3 H THR 3 -7.548 18.270 -0.453 16 HA THR 3 HA THR 3 -7.050 15.441 -0.556 17 HB THR 3 HB THR 3 -9.672 15.176 -0.029 18 HG1 THR 3 HG1 THR 3 -10.367 16.926 0.875 19 1HG2 THR 3 1HG2 THR 3 -9.145 14.190 1.996 20 2HG2 THR 3 2HG2 THR 3 -7.819 15.310 2.310 21 3HG2 THR 3 3HG2 THR 3 -7.645 14.060 1.078 22 H GLY 4 H GLY 4 -10.028 17.310 -1.086 23 1HA GLY 4 1HA GLY 4 -11.068 17.953 -3.047 24 2HA GLY 4 2HA GLY 4 -9.600 17.513 -3.918 25 H GLY 5 H GLY 5 -12.748 16.881 -3.837 26 1HA GLY 5 1HA GLY 5 -12.590 13.978 -4.060 27 2HA GLY 5 2HA GLY 5 -14.055 14.947 -4.107 28 H ALA 6 H ALA 6 -11.045 14.898 -6.021 29 HA ALA 6 HA ALA 6 -12.233 13.856 -8.352 30 1HB ALA 6 1HB ALA 6 -13.436 15.703 -8.885 31 2HB ALA 6 2HB ALA 6 -11.896 16.196 -9.587 32 3HB ALA 6 3HB ALA 6 -12.371 16.791 -7.996 33 H ASP 7 H ASP 7 -10.006 16.609 -7.992 34 HA ASP 7 HA ASP 7 -7.852 14.877 -9.019 35 1HB ASP 7 1HB ASP 7 -6.899 17.025 -9.994 36 2HB ASP 7 2HB ASP 7 -8.359 16.401 -10.767 37 H CYS 8 H CYS 8 -5.752 15.230 -8.223 38 HA CYS 8 HA CYS 8 -5.630 16.803 -5.734 39 1HB CYS 8 1HB CYS 8 -4.693 14.040 -6.361 40 2HB CYS 8 2HB CYS 8 -3.740 15.010 -5.235 41 H THR 9 H THR 9 -4.218 18.406 -5.764 42 HA THR 9 HA THR 9 -1.752 18.131 -7.317 43 HB THR 9 HB THR 9 -3.204 19.327 -8.817 44 HG1 THR 9 HG1 THR 9 -1.598 20.592 -9.206 45 1HG2 THR 9 1HG2 THR 9 -3.620 21.705 -7.193 46 2HG2 THR 9 2HG2 THR 9 -4.502 20.292 -6.617 47 3HG2 THR 9 3HG2 THR 9 -4.724 20.855 -8.274 48 H SER 10 H SER 10 0.003 19.009 -6.368 49 HA SER 10 HA SER 10 1.294 20.257 -4.943 50 1HB SER 10 1HB SER 10 -0.650 21.959 -5.075 51 2HB SER 10 2HB SER 10 -1.142 21.296 -3.517 52 HG SER 10 HG SER 10 1.478 22.241 -4.023 53 H CYS 11 H CYS 11 -1.037 17.967 -4.066 54 HA CYS 11 HA CYS 11 -0.169 17.761 -1.303 55 1HB CYS 11 1HB CYS 11 -2.033 15.947 -2.846 56 2HB CYS 11 2HB CYS 11 -1.826 16.004 -1.099 57 H THR 12 H THR 12 0.490 15.577 -0.477 58 HA THR 12 HA THR 12 1.917 13.940 -2.425 59 HB THR 12 HB THR 12 3.493 15.712 -1.599 60 HG1 THR 12 HG1 THR 12 5.013 14.288 -1.816 61 1HG2 THR 12 1HG2 THR 12 4.297 15.789 0.568 62 2HG2 THR 12 2HG2 THR 12 3.600 14.225 0.988 63 3HG2 THR 12 3HG2 THR 12 2.555 15.630 0.786 64 H GLY 13 H GLY 13 0.936 14.426 0.936 65 1HA GLY 13 1HA GLY 13 1.459 11.825 1.855 66 2HA GLY 13 2HA GLY 13 0.312 12.945 2.570 67 H ALA 14 H ALA 14 -1.445 11.725 2.924 68 HA ALA 14 HA ALA 14 -2.318 9.735 1.033 69 1HB ALA 14 1HB ALA 14 -4.323 9.692 2.704 70 2HB ALA 14 2HB ALA 14 -3.251 10.664 3.712 71 3HB ALA 14 3HB ALA 14 -2.753 9.055 3.189 72 H CYS 15 H CYS 15 -4.428 9.693 0.056 73 HA CYS 15 HA CYS 15 -5.770 12.274 -0.232 74 1HB CYS 15 1HB CYS 15 -5.878 11.413 -2.814 75 2HB CYS 15 2HB CYS 15 -4.728 12.599 -2.210 76 H THR 16 H THR 16 -7.916 12.128 -1.089 77 HA THR 16 HA THR 16 -9.076 9.446 -1.224 78 HB THR 16 HB THR 16 -11.003 10.293 0.199 79 HG1 THR 16 HG1 THR 16 -9.098 12.225 1.011 80 1HG2 THR 16 1HG2 THR 16 -10.144 9.257 1.962 81 2HG2 THR 16 2HG2 THR 16 -8.822 10.416 2.107 82 3HG2 THR 16 3HG2 THR 16 -8.685 9.057 0.992 83 H GLY 17 H GLY 17 -10.683 9.261 -2.718 84 1HA GLY 17 1HA GLY 17 -11.993 9.839 -4.517 85 2HA GLY 17 2HA GLY 17 -12.412 11.274 -3.580 86 H CYS 18 H CYS 18 -9.402 10.150 -5.107 87 HA CYS 18 HA CYS 18 -9.384 12.600 -6.738 88 1HB CYS 18 1HB CYS 18 -7.469 11.766 -4.688 89 2HB CYS 18 2HB CYS 18 -6.708 12.106 -6.244 90 H GLY 19 H GLY 19 -9.444 11.983 -8.805 91 1HA GLY 19 1HA GLY 19 -9.099 9.492 -9.873 92 2HA GLY 19 2HA GLY 19 -8.789 10.974 -10.774 93 H ASN 20 H ASN 20 -6.583 11.721 -8.938 94 HA ASN 20 HA ASN 20 -4.598 9.656 -9.559 95 1HB ASN 20 1HB ASN 20 -4.532 11.308 -11.392 96 2HB ASN 20 2HB ASN 20 -4.260 12.592 -10.218 97 1HD2 ASN 20 1HD2 ASN 20 -2.268 12.768 -9.214 98 2HD2 ASN 20 2HD2 ASN 20 -0.865 11.942 -9.792 99 H CYS 21 H CYS 21 -2.769 9.656 -8.207 100 HA CYS 21 HA CYS 21 -2.873 11.489 -5.915 101 1HB CYS 21 1HB CYS 21 -2.916 8.510 -5.917 102 2HB CYS 21 2HB CYS 21 -1.987 9.318 -4.653 103 HA PRO 22 HA PRO 22 1.449 11.765 -6.916 104 1HB PRO 22 1HB PRO 22 2.129 13.672 -5.187 105 2HB PRO 22 2HB PRO 22 1.026 14.008 -6.527 106 1HG PRO 22 1HG PRO 22 0.424 13.576 -3.638 107 2HG PRO 22 2HG PRO 22 -0.331 14.693 -4.787 108 1HD PRO 22 1HD PRO 22 -1.336 12.197 -4.016 109 2HD PRO 22 2HD PRO 22 -1.855 13.138 -5.428 110 H ASN 23 H ASN 23 2.158 9.677 -6.232 111 HA ASN 23 HA ASN 23 3.294 8.167 -4.952 112 1HB ASN 23 1HB ASN 23 4.488 10.729 -3.869 113 2HB ASN 23 2HB ASN 23 5.169 9.117 -3.628 114 1HD2 ASN 23 1HD2 ASN 23 3.772 10.765 -6.442 115 2HD2 ASN 23 2HD2 ASN 23 5.140 10.535 -7.472 116 H ALA 24 H ALA 24 0.759 9.313 -3.871 117 HA ALA 24 HA ALA 24 0.743 9.743 -1.158 118 1HB ALA 24 1HB ALA 24 -1.517 9.271 -1.186 119 2HB ALA 24 2HB ALA 24 -1.336 7.965 -2.357 120 3HB ALA 24 3HB ALA 24 -1.196 9.644 -2.879 121 H VAL 25 H VAL 25 1.091 8.582 0.635 122 HA VAL 25 HA VAL 25 2.114 5.892 0.369 123 HB VAL 25 HB VAL 25 3.231 7.483 1.866 124 1HG1 VAL 25 1HG1 VAL 25 1.503 8.843 2.691 125 2HG1 VAL 25 2HG1 VAL 25 2.078 7.937 4.091 126 3HG1 VAL 25 3HG1 VAL 25 0.583 7.460 3.285 127 1HG2 VAL 25 1HG2 VAL 25 2.222 5.548 3.835 128 2HG2 VAL 25 2HG2 VAL 25 3.868 5.852 3.280 129 3HG2 VAL 25 3HG2 VAL 25 2.784 4.847 2.318 130 H THR 26 H THR 26 -0.901 7.322 1.029 131 HA THR 26 HA THR 26 -2.144 4.776 1.405 132 HB THR 26 HB THR 26 -2.889 6.497 3.667 133 HG1 THR 26 HG1 THR 26 -1.051 6.083 4.854 134 1HG2 THR 26 1HG2 THR 26 -2.097 4.044 4.636 135 2HG2 THR 26 2HG2 THR 26 -2.748 3.676 3.039 136 3HG2 THR 26 3HG2 THR 26 -3.741 4.528 4.221 137 H CYS 27 H CYS 27 -4.248 4.837 0.764 138 HA CYS 27 HA CYS 27 -5.717 7.327 0.757 139 1HB CYS 27 1HB CYS 27 -6.119 6.510 -1.876 140 2HB CYS 27 2HB CYS 27 -5.206 7.920 -1.343 141 H THR 28 H THR 28 -7.892 7.058 0.721 142 HA THR 28 HA THR 28 -8.855 4.293 0.827 143 HB THR 28 HB THR 28 -10.231 6.862 1.651 144 HG1 THR 28 HG1 THR 28 -8.622 6.534 3.092 145 1HG2 THR 28 1HG2 THR 28 -12.034 5.511 1.505 146 2HG2 THR 28 2HG2 THR 28 -11.463 5.007 3.095 147 3HG2 THR 28 3HG2 THR 28 -11.085 4.035 1.673 148 H ASN 29 H ASN 29 -9.281 3.655 -1.235 149 HA ASN 29 HA ASN 29 -10.468 3.410 -3.105 150 1HB ASN 29 1HB ASN 29 -11.931 5.967 -2.424 151 2HB ASN 29 2HB ASN 29 -12.434 4.720 -3.566 152 1HD2 ASN 29 1HD2 ASN 29 -13.953 3.437 -2.850 153 2HD2 ASN 29 2HD2 ASN 29 -14.238 3.004 -1.202 154 H SER 30 H SER 30 -11.196 5.128 -4.998 155 HA SER 30 HA SER 30 -10.533 6.695 -6.561 156 1HB SER 30 1HB SER 30 -9.254 7.659 -4.310 157 2HB SER 30 2HB SER 30 -7.923 7.389 -5.435 158 HG SER 30 HG SER 30 -10.280 8.745 -6.198 159 H GLN 31 H GLN 31 -7.738 7.131 -7.345 160 HA GLN 31 HA GLN 31 -6.864 4.418 -8.010 161 1HB GLN 31 1HB GLN 31 -8.383 5.572 -9.804 162 2HB GLN 31 2HB GLN 31 -6.921 6.485 -10.177 163 1HG GLN 31 1HG GLN 31 -5.778 4.602 -10.901 164 2HG GLN 31 2HG GLN 31 -6.862 3.497 -10.055 165 1HE2 GLN 31 1HE2 GLN 31 -7.162 6.091 -12.467 166 2HE2 GLN 31 2HE2 GLN 31 -8.176 5.200 -13.547 167 H HIS 32 H HIS 32 -4.701 4.375 -9.013 168 HA HIS 32 HA HIS 32 -2.504 4.933 -9.132 169 1HB HIS 32 1HB HIS 32 -3.571 7.161 -9.962 170 2HB HIS 32 2HB HIS 32 -3.098 7.771 -8.374 171 HD1 HIS 32 HD1 HIS 32 -0.946 5.349 -10.272 172 HD2 HIS 32 HD2 HIS 32 -1.081 9.404 -9.376 173 HE1 HIS 32 HE1 HIS 32 1.283 6.269 -10.984 174 HE2 HIS 32 HE2 HIS 32 1.144 8.740 -10.514 175 H CYS 33 H CYS 33 -3.083 3.689 -6.913 176 HA CYS 33 HA CYS 33 -1.698 5.209 -4.797 177 1HB CYS 33 1HB CYS 33 -3.953 3.211 -4.566 178 2HB CYS 33 2HB CYS 33 -2.944 3.667 -3.191 179 H VAL 34 H VAL 34 -0.372 3.746 -6.774 180 HA VAL 34 HA VAL 34 0.223 1.093 -6.146 181 HB VAL 34 HB VAL 34 0.854 2.139 -8.272 182 1HG1 VAL 34 1HG1 VAL 34 3.264 3.392 -7.084 183 2HG1 VAL 34 2HG1 VAL 34 1.728 4.238 -6.897 184 3HG1 VAL 34 3HG1 VAL 34 2.331 3.851 -8.508 185 1HG2 VAL 34 1HG2 VAL 34 3.216 1.229 -8.369 186 2HG2 VAL 34 2HG2 VAL 34 1.976 0.113 -7.798 187 3HG2 VAL 34 3HG2 VAL 34 3.057 0.894 -6.645 188 H LYS 35 H LYS 35 1.604 4.091 -4.908 189 HA LYS 35 HA LYS 35 3.513 2.585 -3.296 190 1HB LYS 35 1HB LYS 35 4.167 4.674 -4.561 191 2HB LYS 35 2HB LYS 35 3.166 5.581 -3.437 192 1HG LYS 35 1HG LYS 35 5.599 5.583 -2.908 193 2HG LYS 35 2HG LYS 35 4.565 5.009 -1.601 194 1HD LYS 35 1HD LYS 35 6.538 3.601 -1.818 195 2HD LYS 35 2HD LYS 35 5.081 2.692 -2.222 196 1HE LYS 35 1HE LYS 35 6.624 2.103 -3.883 197 2HE LYS 35 2HE LYS 35 5.583 3.302 -4.648 198 1HZ LYS 35 1HZ LYS 35 7.683 4.005 -5.229 199 2HZ LYS 35 2HZ LYS 35 8.372 3.580 -3.744 200 3HZ LYS 35 3HZ LYS 35 7.385 4.949 -3.856 201 H ALA 36 H ALA 36 0.665 2.404 -2.740 202 HA ALA 36 HA ALA 36 0.472 3.790 -0.159 203 1HB ALA 36 1HB ALA 36 -1.883 3.471 -0.257 204 2HB ALA 36 2HB ALA 36 -1.736 2.347 -1.609 205 3HB ALA 36 3HB ALA 36 -1.372 4.057 -1.840 206 H ASN 37 H ASN 37 0.723 2.687 1.672 207 HA ASN 37 HA ASN 37 1.451 -0.033 1.703 208 1HB ASN 37 1HB ASN 37 1.219 0.190 4.198 209 2HB ASN 37 2HB ASN 37 2.255 1.400 3.447 210 1HD2 ASN 37 1HD2 ASN 37 1.533 2.129 5.790 211 2HD2 ASN 37 2HD2 ASN 37 0.231 3.264 5.791 212 H THR 38 H THR 38 -1.615 1.589 2.118 213 HA THR 38 HA THR 38 -2.966 -0.990 2.018 214 HB THR 38 HB THR 38 -4.073 0.904 4.015 215 HG1 THR 38 HG1 THR 38 -1.735 -0.629 4.465 216 1HG2 THR 38 1HG2 THR 38 -4.764 -1.588 3.326 217 2HG2 THR 38 2HG2 THR 38 -5.043 -0.905 4.927 218 3HG2 THR 38 3HG2 THR 38 -3.642 -1.938 4.640 219 H CYS 39 H CYS 39 -4.701 -0.926 0.723 220 HA CYS 39 HA CYS 39 -6.057 1.625 0.272 221 1HB CYS 39 1HB CYS 39 -6.087 1.009 -2.232 222 2HB CYS 39 2HB CYS 39 -4.601 1.691 -1.568 223 H THR 40 H THR 40 -8.174 1.420 -0.628 224 HA THR 40 HA THR 40 -9.317 -1.276 -0.320 225 HB THR 40 HB THR 40 -10.161 0.004 1.478 226 HG1 THR 40 HG1 THR 40 -11.924 -0.942 0.716 227 1HG2 THR 40 1HG2 THR 40 -10.501 2.231 -0.492 228 2HG2 THR 40 2HG2 THR 40 -9.613 2.225 1.032 229 3HG2 THR 40 3HG2 THR 40 -11.377 2.191 1.038 230 H GLY 41 H GLY 41 -11.692 0.854 -1.348 231 1HA GLY 41 1HA GLY 41 -11.931 -0.313 -3.901 232 2HA GLY 41 2HA GLY 41 -12.758 1.133 -3.358 233 H SER 42 H SER 42 -9.554 0.057 -4.448 234 HA SER 42 HA SER 42 -9.440 2.433 -6.125 235 1HB SER 42 1HB SER 42 -7.987 2.185 -3.678 236 2HB SER 42 2HB SER 42 -6.824 2.014 -4.991 237 HG SER 42 HG SER 42 -7.051 4.182 -4.474 238 H THR 43 H THR 43 -6.745 1.988 -6.953 239 HA THR 43 HA THR 43 -6.711 -0.809 -7.751 240 HB THR 43 HB THR 43 -6.975 -0.513 -9.971 241 HG1 THR 43 HG1 THR 43 -6.266 1.363 -11.091 242 1HG2 THR 43 1HG2 THR 43 -9.020 0.405 -9.367 243 2HG2 THR 43 2HG2 THR 43 -8.373 1.531 -10.561 244 3HG2 THR 43 3HG2 THR 43 -8.296 1.927 -8.844 245 H ASP 44 H ASP 44 -4.571 0.144 -9.821 246 HA ASP 44 HA ASP 44 -2.262 -0.420 -9.471 247 1HB ASP 44 1HB ASP 44 -3.007 2.065 -10.181 248 2HB ASP 44 2HB ASP 44 -2.093 2.439 -8.724 249 H CYS 45 H CYS 45 -2.288 -1.722 -7.480 250 HA CYS 45 HA CYS 45 -1.074 -0.215 -5.262 251 1HB CYS 45 1HB CYS 45 -3.504 -1.936 -5.188 252 2HB CYS 45 2HB CYS 45 -2.387 -2.048 -3.824 253 H ASN 46 H ASN 46 0.944 -1.014 -5.976 254 HA ASN 46 HA ASN 46 1.340 -3.903 -5.933 255 1HB ASN 46 1HB ASN 46 2.359 -2.708 -7.779 256 2HB ASN 46 2HB ASN 46 3.204 -1.633 -6.659 257 1HD2 ASN 46 1HD2 ASN 46 5.086 -2.280 -5.754 258 2HD2 ASN 46 2HD2 ASN 46 5.869 -3.777 -6.113 259 H THR 47 H THR 47 2.261 -1.016 -4.124 260 HA THR 47 HA THR 47 3.956 -2.551 -2.342 261 HB THR 47 HB THR 47 3.614 0.231 -3.024 262 HG1 THR 47 HG1 THR 47 5.621 -0.476 -3.133 263 1HG2 THR 47 1HG2 THR 47 3.830 -0.314 -0.073 264 2HG2 THR 47 2HG2 THR 47 2.478 0.477 -0.881 265 3HG2 THR 47 3HG2 THR 47 4.067 1.243 -0.866 266 H ALA 48 H ALA 48 0.662 -1.675 -2.528 267 HA ALA 48 HA ALA 48 0.082 -1.551 0.254 268 1HB ALA 48 1HB ALA 48 -1.295 -0.878 -1.954 269 2HB ALA 48 2HB ALA 48 -2.040 -1.126 -0.376 270 3HB ALA 48 3HB ALA 48 -2.061 -2.420 -1.574 271 H GLN 49 H GLN 49 -0.862 -3.088 1.599 272 HA GLN 49 HA GLN 49 -0.243 -5.857 0.892 273 1HB GLN 49 1HB GLN 49 -0.443 -6.326 3.269 274 2HB GLN 49 2HB GLN 49 0.634 -4.958 3.013 275 1HG GLN 49 1HG GLN 49 -1.672 -3.643 3.357 276 2HG GLN 49 2HG GLN 49 -2.003 -5.079 4.325 277 1HE2 GLN 49 1HE2 GLN 49 -1.653 -4.663 6.378 278 2HE2 GLN 49 2HE2 GLN 49 -0.329 -3.764 7.027 279 H THR 50 H THR 50 -2.699 -4.161 0.105 280 HA THR 50 HA THR 50 -4.559 -6.237 -0.024 281 HB THR 50 HB THR 50 -4.608 -5.620 2.471 282 HG1 THR 50 HG1 THR 50 -6.254 -6.828 1.495 283 1HG2 THR 50 1HG2 THR 50 -4.678 -3.164 2.115 284 2HG2 THR 50 2HG2 THR 50 -5.945 -3.797 3.166 285 3HG2 THR 50 3HG2 THR 50 -6.318 -3.361 1.498 286 H CYS 51 H CYS 51 -6.704 -5.451 -0.872 287 HA CYS 51 HA CYS 51 -7.142 -2.792 -1.625 288 1HB CYS 51 1HB CYS 51 -6.615 -2.822 -4.001 289 2HB CYS 51 2HB CYS 51 -5.157 -3.123 -3.048 290 H THR 52 H THR 52 -9.266 -2.712 -1.794 291 HA THR 52 HA THR 52 -10.711 -5.073 -2.765 292 HB THR 52 HB THR 52 -11.132 -3.559 -0.524 293 HG1 THR 52 HG1 THR 52 -12.649 -4.990 -0.257 294 1HG2 THR 52 1HG2 THR 52 -13.119 -2.290 -0.714 295 2HG2 THR 52 2HG2 THR 52 -13.309 -2.719 -2.413 296 3HG2 THR 52 3HG2 THR 52 -11.986 -1.669 -1.912 297 H ASN 53 H ASN 53 -12.248 -4.912 -4.435 298 HA ASN 53 HA ASN 53 -12.928 -4.214 -6.506 299 1HB ASN 53 1HB ASN 53 -13.307 -1.881 -4.692 300 2HB ASN 53 2HB ASN 53 -13.478 -1.596 -6.426 301 1HD2 ASN 53 1HD2 ASN 53 -14.313 -4.428 -4.477 302 2HD2 ASN 53 2HD2 ASN 53 -15.998 -4.414 -4.864 303 H SER 54 H SER 54 -10.038 -4.091 -5.867 304 HA SER 54 HA SER 54 -9.102 -1.866 -7.524 305 1HB SER 54 1HB SER 54 -7.800 -2.036 -5.576 306 2HB SER 54 2HB SER 54 -7.768 -3.802 -5.639 307 HG SER 54 HG SER 54 -5.786 -3.028 -6.317 308 H LYS 55 H LYS 55 -7.083 -2.584 -8.921 309 HA LYS 55 HA LYS 55 -7.580 -5.165 -10.208 310 1HB LYS 55 1HB LYS 55 -7.399 -2.532 -11.686 311 2HB LYS 55 2HB LYS 55 -7.398 -4.115 -12.451 312 1HG LYS 55 1HG LYS 55 -9.603 -3.982 -12.570 313 2HG LYS 55 2HG LYS 55 -9.653 -4.103 -10.810 314 1HD LYS 55 1HD LYS 55 -10.900 -2.155 -11.593 315 2HD LYS 55 2HD LYS 55 -9.501 -1.669 -10.635 316 1HE LYS 55 1HE LYS 55 -9.953 -0.380 -12.791 317 2HE LYS 55 2HE LYS 55 -8.310 -0.962 -12.522 318 1HZ LYS 55 1HZ LYS 55 -9.502 -1.322 -14.801 319 2HZ LYS 55 2HZ LYS 55 -10.174 -2.662 -14.018 320 3HZ LYS 55 3HZ LYS 55 -8.494 -2.522 -14.160 321 H ASP 56 H ASP 56 -5.504 -3.725 -8.491 322 HA ASP 56 HA ASP 56 -3.213 -4.790 -9.895 323 1HB ASP 56 1HB ASP 56 -3.555 -1.884 -9.278 324 2HB ASP 56 2HB ASP 56 -1.945 -2.605 -9.210 325 H CYS 57 H CYS 57 -2.618 -6.206 -8.402 326 HA CYS 57 HA CYS 57 -1.690 -5.254 -5.851 327 1HB CYS 57 1HB CYS 57 -4.262 -6.600 -6.102 328 2HB CYS 57 2HB CYS 57 -3.166 -7.453 -5.009 329 H PHE 58 H PHE 58 0.311 -5.996 -6.084 330 HA PHE 58 HA PHE 58 0.690 -8.793 -6.901 331 1HB PHE 58 1HB PHE 58 2.712 -6.543 -6.871 332 2HB PHE 58 2HB PHE 58 2.960 -8.161 -7.518 333 HD1 PHE 58 HD1 PHE 58 0.616 -5.302 -7.885 334 HD2 PHE 58 HD2 PHE 58 2.825 -8.435 -9.727 335 HE1 PHE 58 HE1 PHE 58 -0.121 -4.523 -10.090 336 HE2 PHE 58 HE2 PHE 58 2.091 -7.658 -11.935 337 HZ PHE 58 HZ PHE 58 0.637 -5.707 -12.084 338 H GLU 59 H GLU 59 0.800 -6.736 -4.209 339 HA GLU 59 HA GLU 59 2.140 -8.822 -2.657 340 1HB GLU 59 1HB GLU 59 3.756 -6.960 -3.286 341 2HB GLU 59 2HB GLU 59 2.790 -5.903 -2.255 342 1HG GLU 59 1HG GLU 59 3.250 -7.370 -0.346 343 2HG GLU 59 2HG GLU 59 4.241 -8.394 -1.384 344 H ALA 60 H ALA 60 -0.613 -8.332 -2.837 345 HA ALA 60 HA ALA 60 -1.263 -6.941 -0.340 346 1HB ALA 60 1HB ALA 60 -2.768 -6.085 -1.800 347 2HB ALA 60 2HB ALA 60 -3.680 -7.512 -1.306 348 3HB ALA 60 3HB ALA 60 -2.767 -7.526 -2.817 349 H ASN 61 H ASN 61 -3.138 -7.964 0.904 350 HA ASN 61 HA ASN 61 -2.685 -10.870 1.076 351 1HB ASN 61 1HB ASN 61 -2.234 -8.894 3.043 352 2HB ASN 61 2HB ASN 61 -3.649 -9.804 3.562 353 1HD2 ASN 61 1HD2 ASN 61 -0.619 -10.629 1.908 354 2HD2 ASN 61 2HD2 ASN 61 -0.179 -11.904 2.988 355 H THR 62 H THR 62 -5.057 -8.267 1.229 356 HA THR 62 HA THR 62 -7.151 -10.319 0.976 357 HB THR 62 HB THR 62 -7.347 -7.879 2.749 358 HG1 THR 62 HG1 THR 62 -6.580 -9.131 4.223 359 1HG2 THR 62 1HG2 THR 62 -9.377 -9.304 3.574 360 2HG2 THR 62 2HG2 THR 62 -9.328 -9.934 1.928 361 3HG2 THR 62 3HG2 THR 62 -9.537 -8.204 2.205 362 H CYS 63 H CYS 63 -7.327 -9.909 -1.232 363 HA CYS 63 HA CYS 63 -8.509 -7.292 -1.891 364 1HB CYS 63 1HB CYS 63 -7.548 -7.672 -4.214 365 2HB CYS 63 2HB CYS 63 -6.384 -7.292 -2.944 366 H THR 64 H THR 64 -10.614 -7.596 -2.197 367 HA THR 64 HA THR 64 -11.503 -10.045 -3.565 368 HB THR 64 HB THR 64 -13.791 -9.169 -2.557 369 HG1 THR 64 HG1 THR 64 -13.460 -8.118 -0.596 370 1HG2 THR 64 1HG2 THR 64 -13.661 -10.890 -1.161 371 2HG2 THR 64 2HG2 THR 64 -12.250 -10.228 -0.338 372 3HG2 THR 64 3HG2 THR 64 -12.049 -11.153 -1.826 373 H ASP 65 H ASP 65 -13.193 -9.888 -5.130 374 HA ASP 65 HA ASP 65 -14.073 -9.045 -7.054 375 1HB ASP 65 1HB ASP 65 -15.082 -7.592 -4.979 376 2HB ASP 65 2HB ASP 65 -14.406 -6.314 -5.992 377 H SER 66 H SER 66 -11.172 -8.752 -6.612 378 HA SER 66 HA SER 66 -10.677 -6.468 -8.405 379 1HB SER 66 1HB SER 66 -8.380 -6.400 -7.411 380 2HB SER 66 2HB SER 66 -9.665 -6.030 -6.254 381 HG SER 66 HG SER 66 -9.440 -8.046 -5.372 382 H THR 67 H THR 67 -8.361 -6.815 -9.442 383 HA THR 67 HA THR 67 -8.177 -9.558 -10.463 384 HB THR 67 HB THR 67 -9.151 -8.550 -12.282 385 HG1 THR 67 HG1 THR 67 -6.791 -9.155 -12.673 386 1HG2 THR 67 1HG2 THR 67 -9.188 -6.274 -11.250 387 2HG2 THR 67 2HG2 THR 67 -8.981 -6.324 -13.000 388 3HG2 THR 67 3HG2 THR 67 -7.592 -6.019 -11.956 389 H ASN 68 H ASN 68 -6.087 -10.244 -11.093 390 HA ASN 68 HA ASN 68 -3.813 -10.364 -11.005 391 1HB ASN 68 1HB ASN 68 -3.718 -7.374 -10.591 392 2HB ASN 68 2HB ASN 68 -2.499 -8.417 -11.330 393 1HD2 ASN 68 1HD2 ASN 68 -5.018 -6.313 -11.899 394 2HD2 ASN 68 2HD2 ASN 68 -5.293 -6.670 -13.568 395 H CYS 69 H CYS 69 -4.343 -11.416 -8.927 396 HA CYS 69 HA CYS 69 -3.101 -9.948 -6.705 397 1HB CYS 69 1HB CYS 69 -5.749 -11.306 -6.783 398 2HB CYS 69 2HB CYS 69 -4.797 -11.456 -5.304 399 H TYR 70 H TYR 70 -1.177 -11.093 -7.236 400 HA TYR 70 HA TYR 70 -1.187 -13.984 -7.014 401 1HB TYR 70 1HB TYR 70 1.300 -12.315 -7.248 402 2HB TYR 70 2HB TYR 70 0.998 -13.950 -7.841 403 HD1 TYR 70 HD1 TYR 70 -0.620 -14.224 -9.796 404 HD2 TYR 70 HD2 TYR 70 1.016 -10.467 -8.655 405 HE1 TYR 70 HE1 TYR 70 -1.157 -13.322 -12.019 406 HE2 TYR 70 HE2 TYR 70 0.485 -9.554 -10.876 407 HH TYR 70 HH TYR 70 -1.170 -10.065 -12.730 408 H LYS 71 H LYS 71 -1.623 -14.482 -4.946 409 HA LYS 71 HA LYS 71 -0.600 -15.302 -2.967 410 1HB LYS 71 1HB LYS 71 1.133 -14.253 -1.827 411 2HB LYS 71 2HB LYS 71 1.506 -13.905 -3.512 412 1HG LYS 71 1HG LYS 71 0.073 -11.721 -2.931 413 2HG LYS 71 2HG LYS 71 0.696 -12.092 -1.321 414 1HD LYS 71 1HD LYS 71 2.707 -12.284 -3.435 415 2HD LYS 71 2HD LYS 71 2.021 -10.668 -3.253 416 1HE LYS 71 1HE LYS 71 2.752 -10.472 -1.052 417 2HE LYS 71 2HE LYS 71 2.943 -12.213 -0.860 418 1HZ LYS 71 1HZ LYS 71 5.099 -11.670 -1.145 419 2HZ LYS 71 2HZ LYS 71 4.763 -10.264 -2.023 420 3HZ LYS 71 3HZ LYS 71 4.697 -11.772 -2.786 421 H ALA 72 H ALA 72 -3.064 -14.101 -3.570 422 HA ALA 72 HA ALA 72 -3.648 -12.427 -1.234 423 1HB ALA 72 1HB ALA 72 -5.820 -12.025 -2.326 424 2HB ALA 72 2HB ALA 72 -5.331 -13.081 -3.651 425 3HB ALA 72 3HB ALA 72 -4.459 -11.578 -3.354 426 H THR 73 H THR 73 -4.592 -13.260 0.518 427 HA THR 73 HA THR 73 -5.269 -16.042 0.612 428 HB THR 73 HB THR 73 -4.219 -14.853 2.514 429 HG1 THR 73 HG1 THR 73 -5.241 -16.079 3.923 430 1HG2 THR 73 1HG2 THR 73 -6.516 -13.118 2.242 431 2HG2 THR 73 2HG2 THR 73 -5.007 -12.876 3.122 432 3HG2 THR 73 3HG2 THR 73 -6.340 -13.745 3.880 433 H ALA 74 H ALA 74 -7.026 -13.091 0.151 434 HA ALA 74 HA ALA 74 -9.562 -14.583 0.344 435 1HB ALA 74 1HB ALA 74 -9.160 -12.604 1.911 436 2HB ALA 74 2HB ALA 74 -10.673 -12.631 1.005 437 3HB ALA 74 3HB ALA 74 -9.350 -11.592 0.479 438 H CYS 75 H CYS 75 -10.008 -15.258 -1.677 439 HA CYS 75 HA CYS 75 -10.103 -13.204 -3.781 440 1HB CYS 75 1HB CYS 75 -8.250 -14.427 -4.480 441 2HB CYS 75 2HB CYS 75 -8.899 -15.959 -3.898 442 H THR 76 H THR 76 -12.154 -12.876 -4.270 443 HA THR 76 HA THR 76 -13.937 -15.205 -4.536 444 HB THR 76 HB THR 76 -15.063 -12.564 -3.712 445 HG1 THR 76 HG1 THR 76 -13.708 -12.661 -2.073 446 1HG2 THR 76 1HG2 THR 76 -15.956 -15.307 -3.812 447 2HG2 THR 76 2HG2 THR 76 -16.885 -13.818 -3.643 448 3HG2 THR 76 3HG2 THR 76 -16.194 -14.594 -2.217 449 H ASN 77 H ASN 77 -13.978 -15.365 -6.721 450 HA ASN 77 HA ASN 77 -14.470 -14.879 -8.887 451 1HB ASN 77 1HB ASN 77 -16.520 -13.809 -7.405 452 2HB ASN 77 2HB ASN 77 -15.989 -12.421 -8.360 453 1HD2 ASN 77 1HD2 ASN 77 -15.162 -13.776 -10.659 454 2HD2 ASN 77 2HD2 ASN 77 -16.557 -14.430 -11.441 455 H SER 78 H SER 78 -12.179 -13.598 -7.493 456 HA SER 78 HA SER 78 -11.878 -11.107 -8.998 457 1HB SER 78 1HB SER 78 -11.077 -10.585 -6.927 458 2HB SER 78 2HB SER 78 -10.661 -12.259 -6.552 459 HG SER 78 HG SER 78 -9.078 -10.278 -7.449 460 H SER 79 H SER 79 -9.762 -10.730 -10.099 461 HA SER 79 HA SER 79 -9.022 -13.147 -11.574 462 1HB SER 79 1HB SER 79 -7.983 -10.481 -12.370 463 2HB SER 79 2HB SER 79 -8.545 -11.813 -13.375 464 HG SER 79 HG SER 79 -10.000 -10.054 -13.410 465 H GLY 80 H GLY 80 -6.818 -13.630 -12.051 466 1HA GLY 80 1HA GLY 80 -4.625 -13.974 -11.486 467 2HA GLY 80 2HA GLY 80 -4.616 -12.305 -10.925 468 H CYS 81 H CYS 81 -6.900 -14.436 -9.460 469 HA CYS 81 HA CYS 81 -5.125 -14.729 -7.124 470 1HB CYS 81 1HB CYS 81 -7.070 -14.357 -5.672 471 2HB CYS 81 2HB CYS 81 -6.763 -12.964 -6.703 472 HA PRO 82 HA PRO 82 -5.953 -19.012 -6.640 473 1HB PRO 82 1HB PRO 82 -7.541 -18.428 -4.175 474 2HB PRO 82 2HB PRO 82 -6.234 -19.597 -4.426 475 1HG PRO 82 1HG PRO 82 -5.762 -17.317 -3.155 476 2HG PRO 82 2HG PRO 82 -4.581 -17.968 -4.307 477 1HD PRO 82 1HD PRO 82 -6.487 -15.698 -4.624 478 2HD PRO 82 2HD PRO 82 -4.846 -15.888 -5.268 479 H GLY 83 H GLY 83 -8.932 -17.804 -5.108 480 1HA GLY 83 1HA GLY 83 -11.090 -17.765 -6.059 481 2HA GLY 83 2HA GLY 83 -10.483 -18.702 -7.416 482 H HIS 84 H HIS 84 -9.188 -20.688 -5.689 483 HA HIS 84 HA HIS 84 -11.276 -21.878 -4.106 484 1HB HIS 84 1HB HIS 84 -11.324 -23.984 -5.488 485 2HB HIS 84 2HB HIS 84 -12.106 -22.594 -6.230 486 HD1 HIS 84 HD1 HIS 84 -8.485 -22.355 -6.485 487 HD2 HIS 84 HD2 HIS 84 -11.542 -24.146 -8.654 488 HE1 HIS 84 HE1 HIS 84 -7.497 -22.871 -8.739 489 HE2 HIS 84 HE2 HIS 84 -9.338 -24.038 -10.001 Start of MODEL 12 1 1H GLN 1 1H GLN 1 -10.585 14.802 3.604 2 2H GLN 1 2H GLN 1 -10.710 16.514 3.637 3 3H GLN 1 3H GLN 1 -10.323 15.651 5.070 4 HA GLN 1 HA GLN 1 -8.336 16.505 4.389 5 1HB GLN 1 1HB GLN 1 -8.816 13.789 4.456 6 2HB GLN 1 2HB GLN 1 -7.937 13.983 2.946 7 1HG GLN 1 1HG GLN 1 -6.330 13.524 4.603 8 2HG GLN 1 2HG GLN 1 -6.196 15.244 4.244 9 1HE2 GLN 1 1HE2 GLN 1 -6.901 16.750 5.767 10 2HE2 GLN 1 2HE2 GLN 1 -7.153 16.326 7.422 11 H CYS 2 H CYS 2 -6.623 15.865 2.392 12 HA CYS 2 HA CYS 2 -7.292 17.670 0.356 13 1HB CYS 2 1HB CYS 2 -5.133 15.618 0.696 14 2HB CYS 2 2HB CYS 2 -5.312 16.452 -0.845 15 H THR 3 H THR 3 -8.831 17.408 -1.116 16 HA THR 3 HA THR 3 -9.533 14.733 -2.038 17 HB THR 3 HB THR 3 -10.829 17.402 -2.628 18 HG1 THR 3 HG1 THR 3 -10.970 16.734 -0.428 19 1HG2 THR 3 1HG2 THR 3 -11.938 14.638 -3.042 20 2HG2 THR 3 2HG2 THR 3 -11.331 15.687 -4.323 21 3HG2 THR 3 3HG2 THR 3 -12.743 16.169 -3.382 22 H GLY 4 H GLY 4 -9.227 17.860 -3.732 23 1HA GLY 4 1HA GLY 4 -8.061 18.405 -5.650 24 2HA GLY 4 2HA GLY 4 -7.262 16.837 -5.558 25 H GLY 5 H GLY 5 -7.712 15.462 -7.140 26 1HA GLY 5 1HA GLY 5 -10.051 14.547 -8.088 27 2HA GLY 5 2HA GLY 5 -9.888 16.060 -8.965 28 H ALA 6 H ALA 6 -7.876 16.346 -10.229 29 HA ALA 6 HA ALA 6 -7.367 13.971 -11.771 30 1HB ALA 6 1HB ALA 6 -7.333 16.705 -12.283 31 2HB ALA 6 2HB ALA 6 -6.890 15.412 -13.399 32 3HB ALA 6 3HB ALA 6 -5.649 16.202 -12.426 33 H ASP 7 H ASP 7 -5.132 16.307 -10.256 34 HA ASP 7 HA ASP 7 -3.377 14.040 -9.579 35 1HB ASP 7 1HB ASP 7 -2.410 16.788 -10.387 36 2HB ASP 7 2HB ASP 7 -1.432 15.343 -10.119 37 H CYS 8 H CYS 8 -2.015 14.350 -7.721 38 HA CYS 8 HA CYS 8 -2.902 16.481 -5.901 39 1HB CYS 8 1HB CYS 8 -2.882 13.525 -5.442 40 2HB CYS 8 2HB CYS 8 -2.542 14.601 -4.084 41 H THR 9 H THR 9 -0.812 17.305 -6.890 42 HA THR 9 HA THR 9 1.554 16.143 -5.605 43 HB THR 9 HB THR 9 2.867 17.462 -7.165 44 HG1 THR 9 HG1 THR 9 0.380 18.491 -8.054 45 1HG2 THR 9 1HG2 THR 9 2.600 16.018 -8.819 46 2HG2 THR 9 2HG2 THR 9 0.992 16.642 -9.191 47 3HG2 THR 9 3HG2 THR 9 1.193 15.400 -7.955 48 H SER 10 H SER 10 0.777 17.002 -3.523 49 HA SER 10 HA SER 10 2.157 19.330 -2.786 50 1HB SER 10 1HB SER 10 0.269 20.417 -4.019 51 2HB SER 10 2HB SER 10 -0.845 19.705 -2.851 52 HG SER 10 HG SER 10 0.035 20.948 -1.256 53 H CYS 11 H CYS 11 -0.596 17.235 -2.064 54 HA CYS 11 HA CYS 11 -0.102 17.477 0.798 55 1HB CYS 11 1HB CYS 11 -2.183 15.756 -0.547 56 2HB CYS 11 2HB CYS 11 -2.165 16.324 1.119 57 H THR 12 H THR 12 0.113 15.554 2.136 58 HA THR 12 HA THR 12 1.127 13.175 0.778 59 HB THR 12 HB THR 12 3.020 13.214 2.585 60 HG1 THR 12 HG1 THR 12 2.465 15.980 2.300 61 1HG2 THR 12 1HG2 THR 12 4.524 13.908 1.034 62 2HG2 THR 12 2HG2 THR 12 3.526 15.263 0.505 63 3HG2 THR 12 3HG2 THR 12 3.133 13.623 -0.013 64 H GLY 13 H GLY 13 -1.286 13.781 2.287 65 1HA GLY 13 1HA GLY 13 -0.879 12.236 4.753 66 2HA GLY 13 2HA GLY 13 -2.283 13.227 4.385 67 H ALA 14 H ALA 14 -3.773 12.441 2.737 68 HA ALA 14 HA ALA 14 -3.631 9.541 2.294 69 1HB ALA 14 1HB ALA 14 -6.270 9.789 2.674 70 2HB ALA 14 2HB ALA 14 -5.700 11.041 3.778 71 3HB ALA 14 3HB ALA 14 -5.145 9.378 3.968 72 H CYS 15 H CYS 15 -4.401 8.836 0.361 73 HA CYS 15 HA CYS 15 -5.031 10.883 -1.613 74 1HB CYS 15 1HB CYS 15 -3.638 8.414 -1.651 75 2HB CYS 15 2HB CYS 15 -5.034 8.227 -2.707 76 H THR 16 H THR 16 -7.136 11.470 -1.429 77 HA THR 16 HA THR 16 -9.144 9.326 -1.678 78 HB THR 16 HB THR 16 -10.704 10.785 -0.423 79 HG1 THR 16 HG1 THR 16 -10.170 12.753 -0.001 80 1HG2 THR 16 1HG2 THR 16 -8.714 10.822 1.610 81 2HG2 THR 16 2HG2 THR 16 -8.556 9.340 0.668 82 3HG2 THR 16 3HG2 THR 16 -10.098 9.745 1.424 83 H GLY 17 H GLY 17 -10.364 9.424 -3.446 84 1HA GLY 17 1HA GLY 17 -11.147 10.172 -5.483 85 2HA GLY 17 2HA GLY 17 -11.629 11.591 -4.553 86 H CYS 18 H CYS 18 -8.552 10.239 -5.754 87 HA CYS 18 HA CYS 18 -8.086 12.685 -7.270 88 1HB CYS 18 1HB CYS 18 -7.133 12.856 -4.858 89 2HB CYS 18 2HB CYS 18 -5.903 11.731 -5.438 90 H GLY 19 H GLY 19 -7.138 12.268 -9.164 91 1HA GLY 19 1HA GLY 19 -6.723 9.696 -10.115 92 2HA GLY 19 2HA GLY 19 -6.041 11.149 -10.842 93 H ASN 20 H ASN 20 -3.952 11.867 -10.123 94 HA ASN 20 HA ASN 20 -2.208 9.639 -9.544 95 1HB ASN 20 1HB ASN 20 -1.439 12.535 -9.921 96 2HB ASN 20 2HB ASN 20 -0.400 11.122 -10.082 97 1HD2 ASN 20 1HD2 ASN 20 -0.034 10.469 -12.064 98 2HD2 ASN 20 2HD2 ASN 20 -1.046 10.750 -13.436 99 H CYS 21 H CYS 21 -0.825 9.431 -7.807 100 HA CYS 21 HA CYS 21 -1.534 11.026 -5.435 101 1HB CYS 21 1HB CYS 21 -1.749 8.357 -5.680 102 2HB CYS 21 2HB CYS 21 -0.069 8.452 -5.149 103 HA PRO 22 HA PRO 22 2.664 12.474 -5.512 104 1HB PRO 22 1HB PRO 22 2.767 13.707 -3.136 105 2HB PRO 22 2HB PRO 22 1.774 14.321 -4.459 106 1HG PRO 22 1HG PRO 22 0.964 12.799 -2.030 107 2HG PRO 22 2HG PRO 22 0.121 14.115 -2.863 108 1HD PRO 22 1HD PRO 22 -0.450 11.408 -3.128 109 2HD PRO 22 2HD PRO 22 -0.942 12.674 -4.264 110 H ASN 23 H ASN 23 1.637 9.949 -3.623 111 HA ASN 23 HA ASN 23 3.166 8.172 -3.115 112 1HB ASN 23 1HB ASN 23 5.326 8.480 -2.324 113 2HB ASN 23 2HB ASN 23 5.144 9.846 -3.419 114 1HD2 ASN 23 1HD2 ASN 23 3.414 11.305 -1.498 115 2HD2 ASN 23 2HD2 ASN 23 4.483 11.891 -0.277 116 H ALA 24 H ALA 24 0.885 9.489 -1.914 117 HA ALA 24 HA ALA 24 1.068 9.892 0.819 118 1HB ALA 24 1HB ALA 24 -1.336 9.257 0.882 119 2HB ALA 24 2HB ALA 24 -1.196 8.740 -0.800 120 3HB ALA 24 3HB ALA 24 -0.940 10.433 -0.375 121 H VAL 25 H VAL 25 0.123 8.452 2.527 122 HA VAL 25 HA VAL 25 1.493 5.897 2.449 123 HB VAL 25 HB VAL 25 -0.098 7.156 4.690 124 1HG1 VAL 25 1HG1 VAL 25 1.767 4.792 4.619 125 2HG1 VAL 25 2HG1 VAL 25 0.051 4.799 5.028 126 3HG1 VAL 25 3HG1 VAL 25 1.217 5.570 6.103 127 1HG2 VAL 25 1HG2 VAL 25 2.075 7.781 5.630 128 2HG2 VAL 25 2HG2 VAL 25 1.808 8.539 4.059 129 3HG2 VAL 25 3HG2 VAL 25 2.878 7.144 4.194 130 H THR 26 H THR 26 -1.802 7.029 3.181 131 HA THR 26 HA THR 26 -2.799 4.363 2.419 132 HB THR 26 HB THR 26 -4.864 5.537 3.806 133 HG1 THR 26 HG1 THR 26 -3.395 7.228 4.430 134 1HG2 THR 26 1HG2 THR 26 -4.545 3.947 5.437 135 2HG2 THR 26 2HG2 THR 26 -2.787 4.024 5.319 136 3HG2 THR 26 3HG2 THR 26 -3.723 3.232 4.050 137 H CYS 27 H CYS 27 -4.532 4.208 1.021 138 HA CYS 27 HA CYS 27 -5.351 6.727 -0.272 139 1HB CYS 27 1HB CYS 27 -4.766 4.020 -1.455 140 2HB CYS 27 2HB CYS 27 -5.775 5.195 -2.303 141 H THR 28 H THR 28 -7.456 7.161 -0.366 142 HA THR 28 HA THR 28 -9.336 5.041 0.440 143 HB THR 28 HB THR 28 -10.176 7.889 0.528 144 HG1 THR 28 HG1 THR 28 -9.133 8.137 2.562 145 1HG2 THR 28 1HG2 THR 28 -11.522 5.853 1.310 146 2HG2 THR 28 2HG2 THR 28 -11.453 7.269 2.358 147 3HG2 THR 28 3HG2 THR 28 -10.447 5.864 2.708 148 H ASN 29 H ASN 29 -9.383 4.317 -1.780 149 HA ASN 29 HA ASN 29 -10.585 4.043 -3.666 150 1HB ASN 29 1HB ASN 29 -12.124 5.994 -2.347 151 2HB ASN 29 2HB ASN 29 -11.833 6.637 -3.964 152 1HD2 ASN 29 1HD2 ASN 29 -13.181 3.986 -2.132 153 2HD2 ASN 29 2HD2 ASN 29 -14.199 3.381 -3.391 154 H SER 30 H SER 30 -10.990 5.639 -5.724 155 HA SER 30 HA SER 30 -10.070 6.976 -7.369 156 1HB SER 30 1HB SER 30 -8.825 8.012 -5.129 157 2HB SER 30 2HB SER 30 -7.474 7.520 -6.150 158 HG SER 30 HG SER 30 -8.555 8.697 -7.868 159 H GLN 31 H GLN 31 -7.390 7.093 -8.212 160 HA GLN 31 HA GLN 31 -6.567 4.287 -8.418 161 1HB GLN 31 1HB GLN 31 -6.258 5.653 -10.964 162 2HB GLN 31 2HB GLN 31 -6.986 4.088 -10.611 163 1HG GLN 31 1HG GLN 31 -8.426 6.693 -10.199 164 2HG GLN 31 2HG GLN 31 -8.472 5.795 -11.713 165 1HE2 GLN 31 1HE2 GLN 31 -10.340 6.453 -9.285 166 2HE2 GLN 31 2HE2 GLN 31 -11.161 4.952 -9.038 167 H HIS 32 H HIS 32 -4.521 4.475 -10.161 168 HA HIS 32 HA HIS 32 -2.300 4.942 -10.257 169 1HB HIS 32 1HB HIS 32 -3.705 7.469 -10.298 170 2HB HIS 32 2HB HIS 32 -2.109 7.653 -9.567 171 HD1 HIS 32 HD1 HIS 32 -0.589 5.604 -11.356 172 HD2 HIS 32 HD2 HIS 32 -3.182 8.530 -12.764 173 HE1 HIS 32 HE1 HIS 32 0.084 6.005 -13.744 174 HE2 HIS 32 HE2 HIS 32 -1.559 7.710 -14.603 175 H CYS 33 H CYS 33 -3.556 4.258 -7.609 176 HA CYS 33 HA CYS 33 -1.703 5.558 -5.756 177 1HB CYS 33 1HB CYS 33 -4.278 4.118 -5.499 178 2HB CYS 33 2HB CYS 33 -3.121 3.859 -4.191 179 H VAL 34 H VAL 34 -0.353 4.051 -7.515 180 HA VAL 34 HA VAL 34 0.006 1.341 -6.741 181 HB VAL 34 HB VAL 34 0.573 2.130 -8.987 182 1HG1 VAL 34 1HG1 VAL 34 2.601 3.770 -7.508 183 2HG1 VAL 34 2HG1 VAL 34 1.421 4.287 -8.712 184 3HG1 VAL 34 3HG1 VAL 34 2.823 3.337 -9.203 185 1HG2 VAL 34 1HG2 VAL 34 1.678 0.124 -7.932 186 2HG2 VAL 34 2HG2 VAL 34 3.075 1.155 -7.628 187 3HG2 VAL 34 3HG2 VAL 34 2.547 0.851 -9.283 188 H LYS 35 H LYS 35 0.901 4.161 -5.173 189 HA LYS 35 HA LYS 35 3.097 2.765 -3.800 190 1HB LYS 35 1HB LYS 35 3.773 4.781 -5.154 191 2HB LYS 35 2HB LYS 35 2.797 5.760 -4.071 192 1HG LYS 35 1HG LYS 35 5.041 5.935 -3.343 193 2HG LYS 35 2HG LYS 35 4.201 4.907 -2.180 194 1HD LYS 35 1HD LYS 35 6.195 3.767 -2.551 195 2HD LYS 35 2HD LYS 35 5.060 2.952 -3.630 196 1HE LYS 35 1HE LYS 35 6.506 5.267 -4.757 197 2HE LYS 35 2HE LYS 35 7.479 3.840 -4.403 198 1HZ LYS 35 1HZ LYS 35 6.524 2.677 -6.050 199 2HZ LYS 35 2HZ LYS 35 6.137 4.198 -6.678 200 3HZ LYS 35 3HZ LYS 35 4.987 3.332 -5.792 201 H ALA 36 H ALA 36 0.544 2.303 -2.955 202 HA ALA 36 HA ALA 36 0.475 3.767 -0.402 203 1HB ALA 36 1HB ALA 36 -2.160 3.014 -0.901 204 2HB ALA 36 2HB ALA 36 -1.573 3.669 -2.431 205 3HB ALA 36 3HB ALA 36 -1.487 4.643 -0.963 206 H ASN 37 H ASN 37 0.435 2.505 1.353 207 HA ASN 37 HA ASN 37 0.759 -0.276 1.180 208 1HB ASN 37 1HB ASN 37 0.348 -0.207 3.686 209 2HB ASN 37 2HB ASN 37 1.651 0.816 3.090 210 1HD2 ASN 37 1HD2 ASN 37 -1.777 0.866 3.938 211 2HD2 ASN 37 2HD2 ASN 37 -1.791 2.492 4.522 212 H THR 38 H THR 38 -2.077 1.720 1.649 213 HA THR 38 HA THR 38 -3.751 -0.655 1.298 214 HB THR 38 HB THR 38 -4.565 1.438 3.290 215 HG1 THR 38 HG1 THR 38 -2.918 -0.817 3.761 216 1HG2 THR 38 1HG2 THR 38 -6.381 0.140 3.218 217 2HG2 THR 38 2HG2 THR 38 -5.429 -0.948 4.229 218 3HG2 THR 38 3HG2 THR 38 -5.514 -1.211 2.488 219 H CYS 39 H CYS 39 -5.398 -0.342 -0.094 220 HA CYS 39 HA CYS 39 -6.342 2.363 -0.631 221 1HB CYS 39 1HB CYS 39 -6.120 1.969 -3.108 222 2HB CYS 39 2HB CYS 39 -4.594 2.191 -2.252 223 H THR 40 H THR 40 -8.410 1.969 -0.002 224 HA THR 40 HA THR 40 -9.791 -0.412 -0.946 225 HB THR 40 HB THR 40 -10.066 0.460 1.398 226 HG1 THR 40 HG1 THR 40 -12.474 0.417 -0.092 227 1HG2 THR 40 1HG2 THR 40 -10.174 2.825 1.055 228 2HG2 THR 40 2HG2 THR 40 -11.707 2.275 1.731 229 3HG2 THR 40 3HG2 THR 40 -11.586 2.652 0.013 230 H GLY 41 H GLY 41 -11.401 -0.435 -2.471 231 1HA GLY 41 1HA GLY 41 -12.561 0.272 -4.334 232 2HA GLY 41 2HA GLY 41 -12.846 1.749 -3.428 233 H SER 42 H SER 42 -9.793 0.399 -4.599 234 HA SER 42 HA SER 42 -9.610 2.630 -6.475 235 1HB SER 42 1HB SER 42 -7.234 1.937 -4.754 236 2HB SER 42 2HB SER 42 -7.535 3.412 -5.669 237 HG SER 42 HG SER 42 -7.932 3.921 -3.572 238 H THR 43 H THR 43 -7.048 2.141 -7.421 239 HA THR 43 HA THR 43 -6.932 -0.730 -7.900 240 HB THR 43 HB THR 43 -7.450 -0.704 -10.082 241 HG1 THR 43 HG1 THR 43 -6.773 0.940 -11.518 242 1HG2 THR 43 1HG2 THR 43 -8.822 1.302 -10.848 243 2HG2 THR 43 2HG2 THR 43 -8.595 1.920 -9.212 244 3HG2 THR 43 3HG2 THR 43 -9.408 0.375 -9.466 245 H ASP 44 H ASP 44 -4.997 0.049 -10.222 246 HA ASP 44 HA ASP 44 -2.655 -0.375 -10.046 247 1HB ASP 44 1HB ASP 44 -3.583 2.111 -10.733 248 2HB ASP 44 2HB ASP 44 -2.396 2.499 -9.493 249 H CYS 45 H CYS 45 -2.642 -1.527 -7.938 250 HA CYS 45 HA CYS 45 -1.178 0.041 -5.934 251 1HB CYS 45 1HB CYS 45 -3.642 -1.607 -5.581 252 2HB CYS 45 2HB CYS 45 -2.451 -1.574 -4.274 253 H ASN 46 H ASN 46 0.794 -0.854 -6.441 254 HA ASN 46 HA ASN 46 1.020 -3.771 -6.391 255 1HB ASN 46 1HB ASN 46 2.042 -2.680 -8.307 256 2HB ASN 46 2HB ASN 46 3.001 -1.648 -7.239 257 1HD2 ASN 46 1HD2 ASN 46 4.968 -2.306 -6.738 258 2HD2 ASN 46 2HD2 ASN 46 5.584 -3.907 -6.949 259 H THR 47 H THR 47 1.932 -0.910 -4.587 260 HA THR 47 HA THR 47 3.740 -2.405 -2.876 261 HB THR 47 HB THR 47 4.143 -0.012 -3.529 262 HG1 THR 47 HG1 THR 47 3.990 -0.756 -0.810 263 1HG2 THR 47 1HG2 THR 47 1.991 0.983 -3.360 264 2HG2 THR 47 2HG2 THR 47 3.019 1.708 -2.123 265 3HG2 THR 47 3HG2 THR 47 1.830 0.485 -1.676 266 H ALA 48 H ALA 48 0.431 -1.334 -2.879 267 HA ALA 48 HA ALA 48 -0.183 -1.327 -0.181 268 1HB ALA 48 1HB ALA 48 -2.332 -1.167 -0.838 269 2HB ALA 48 2HB ALA 48 -2.212 -2.542 -1.937 270 3HB ALA 48 3HB ALA 48 -1.607 -0.960 -2.433 271 H GLN 49 H GLN 49 -0.850 -2.843 1.310 272 HA GLN 49 HA GLN 49 -0.006 -5.583 0.750 273 1HB GLN 49 1HB GLN 49 0.361 -3.959 2.933 274 2HB GLN 49 2HB GLN 49 -0.972 -4.979 3.453 275 1HG GLN 49 1HG GLN 49 0.717 -6.298 4.139 276 2HG GLN 49 2HG GLN 49 0.631 -6.868 2.473 277 1HE2 GLN 49 1HE2 GLN 49 1.826 -4.791 1.140 278 2HE2 GLN 49 2HE2 GLN 49 3.487 -4.686 1.600 279 H THR 50 H THR 50 -2.793 -3.893 0.459 280 HA THR 50 HA THR 50 -4.442 -6.094 0.058 281 HB THR 50 HB THR 50 -4.150 -6.024 2.658 282 HG1 THR 50 HG1 THR 50 -6.670 -6.208 1.375 283 1HG2 THR 50 1HG2 THR 50 -5.526 -4.635 3.889 284 2HG2 THR 50 2HG2 THR 50 -6.465 -4.156 2.473 285 3HG2 THR 50 3HG2 THR 50 -4.818 -3.558 2.683 286 H CYS 51 H CYS 51 -6.672 -5.427 -0.478 287 HA CYS 51 HA CYS 51 -7.550 -2.776 -0.355 288 1HB CYS 51 1HB CYS 51 -7.272 -2.499 -3.018 289 2HB CYS 51 2HB CYS 51 -6.118 -1.862 -1.845 290 H THR 52 H THR 52 -9.637 -2.625 -0.865 291 HA THR 52 HA THR 52 -11.060 -4.978 -1.641 292 HB THR 52 HB THR 52 -12.674 -2.582 -1.723 293 HG1 THR 52 HG1 THR 52 -11.497 -1.442 -0.397 294 1HG2 THR 52 1HG2 THR 52 -13.778 -3.564 0.201 295 2HG2 THR 52 2HG2 THR 52 -12.482 -4.753 0.344 296 3HG2 THR 52 3HG2 THR 52 -13.534 -4.760 -1.072 297 H ASN 53 H ASN 53 -13.125 -3.420 -3.193 298 HA ASN 53 HA ASN 53 -12.788 -4.138 -5.715 299 1HB ASN 53 1HB ASN 53 -13.907 -1.574 -4.631 300 2HB ASN 53 2HB ASN 53 -13.859 -1.848 -6.376 301 1HD2 ASN 53 1HD2 ASN 53 -15.623 -2.688 -7.189 302 2HD2 ASN 53 2HD2 ASN 53 -16.748 -3.707 -6.364 303 H SER 54 H SER 54 -10.761 -4.262 -6.534 304 HA SER 54 HA SER 54 -9.571 -1.769 -7.500 305 1HB SER 54 1HB SER 54 -8.130 -1.927 -5.713 306 2HB SER 54 2HB SER 54 -8.370 -3.667 -5.543 307 HG SER 54 HG SER 54 -6.885 -4.038 -7.079 308 H LYS 55 H LYS 55 -7.407 -2.649 -8.812 309 HA LYS 55 HA LYS 55 -8.043 -5.110 -10.230 310 1HB LYS 55 1HB LYS 55 -8.289 -2.391 -11.402 311 2HB LYS 55 2HB LYS 55 -7.553 -3.630 -12.408 312 1HG LYS 55 1HG LYS 55 -9.686 -4.996 -11.622 313 2HG LYS 55 2HG LYS 55 -10.343 -3.368 -11.447 314 1HD LYS 55 1HD LYS 55 -10.830 -4.263 -13.661 315 2HD LYS 55 2HD LYS 55 -9.741 -2.879 -13.772 316 1HE LYS 55 1HE LYS 55 -8.190 -4.108 -14.786 317 2HE LYS 55 2HE LYS 55 -8.237 -5.316 -13.504 318 1HZ LYS 55 1HZ LYS 55 -10.479 -5.891 -14.820 319 2HZ LYS 55 2HZ LYS 55 -8.987 -6.613 -15.160 320 3HZ LYS 55 3HZ LYS 55 -9.532 -5.316 -16.100 321 H ASP 56 H ASP 56 -5.838 -3.778 -8.539 322 HA ASP 56 HA ASP 56 -3.664 -4.840 -10.125 323 1HB ASP 56 1HB ASP 56 -3.896 -1.956 -9.390 324 2HB ASP 56 2HB ASP 56 -2.299 -2.709 -9.452 325 H CYS 57 H CYS 57 -5.137 -5.282 -7.487 326 HA CYS 57 HA CYS 57 -3.268 -4.790 -5.401 327 1HB CYS 57 1HB CYS 57 -5.590 -6.722 -5.593 328 2HB CYS 57 2HB CYS 57 -4.667 -6.435 -4.119 329 H PHE 58 H PHE 58 -1.464 -5.673 -6.929 330 HA PHE 58 HA PHE 58 -1.183 -8.476 -7.221 331 1HB PHE 58 1HB PHE 58 1.055 -6.457 -7.199 332 2HB PHE 58 2HB PHE 58 1.033 -8.026 -7.989 333 HD1 PHE 58 HD1 PHE 58 -1.233 -8.213 -9.511 334 HD2 PHE 58 HD2 PHE 58 1.050 -4.744 -8.623 335 HE1 PHE 58 HE1 PHE 58 -1.998 -7.188 -11.598 336 HE2 PHE 58 HE2 PHE 58 0.284 -3.698 -10.705 337 HZ PHE 58 HZ PHE 58 -1.222 -4.932 -12.169 338 H GLU 59 H GLU 59 0.556 -6.228 -5.056 339 HA GLU 59 HA GLU 59 1.413 -8.500 -3.441 340 1HB GLU 59 1HB GLU 59 2.988 -6.647 -4.157 341 2HB GLU 59 2HB GLU 59 2.122 -5.595 -3.036 342 1HG GLU 59 1HG GLU 59 4.219 -6.546 -2.124 343 2HG GLU 59 2HG GLU 59 2.787 -6.924 -1.169 344 H ALA 60 H ALA 60 -1.337 -7.938 -3.362 345 HA ALA 60 HA ALA 60 -1.683 -6.779 -0.685 346 1HB ALA 60 1HB ALA 60 -4.194 -7.183 -1.932 347 2HB ALA 60 2HB ALA 60 -3.119 -6.424 -3.106 348 3HB ALA 60 3HB ALA 60 -3.392 -5.661 -1.542 349 H ASN 61 H ASN 61 -2.106 -8.108 0.939 350 HA ASN 61 HA ASN 61 -2.260 -10.886 0.663 351 1HB ASN 61 1HB ASN 61 -2.950 -10.871 3.066 352 2HB ASN 61 2HB ASN 61 -1.505 -9.922 2.735 353 1HD2 ASN 61 1HD2 ASN 61 -1.499 -8.266 4.067 354 2HD2 ASN 61 2HD2 ASN 61 -2.834 -7.218 4.390 355 H THR 62 H THR 62 -4.781 -8.441 0.752 356 HA THR 62 HA THR 62 -6.730 -10.579 0.219 357 HB THR 62 HB THR 62 -7.514 -8.176 1.832 358 HG1 THR 62 HG1 THR 62 -6.184 -8.892 3.297 359 1HG2 THR 62 1HG2 THR 62 -8.706 -10.651 2.616 360 2HG2 THR 62 2HG2 THR 62 -8.894 -10.417 0.877 361 3HG2 THR 62 3HG2 THR 62 -9.469 -9.184 2.001 362 H CYS 63 H CYS 63 -7.090 -10.233 -1.898 363 HA CYS 63 HA CYS 63 -8.097 -7.574 -2.646 364 1HB CYS 63 1HB CYS 63 -7.099 -7.806 -4.866 365 2HB CYS 63 2HB CYS 63 -5.858 -7.890 -3.617 366 H THR 64 H THR 64 -10.151 -8.557 -2.063 367 HA THR 64 HA THR 64 -11.141 -10.607 -3.892 368 HB THR 64 HB THR 64 -13.261 -10.103 -2.316 369 HG1 THR 64 HG1 THR 64 -12.001 -8.442 -1.221 370 1HG2 THR 64 1HG2 THR 64 -12.853 -12.074 -1.325 371 2HG2 THR 64 2HG2 THR 64 -11.199 -11.640 -0.892 372 3HG2 THR 64 3HG2 THR 64 -11.573 -12.174 -2.532 373 H ASP 65 H ASP 65 -13.360 -10.293 -4.806 374 HA ASP 65 HA ASP 65 -14.693 -9.182 -6.286 375 1HB ASP 65 1HB ASP 65 -14.300 -6.791 -4.477 376 2HB ASP 65 2HB ASP 65 -15.679 -7.133 -5.524 377 H SER 66 H SER 66 -11.736 -9.062 -6.575 378 HA SER 66 HA SER 66 -11.645 -6.819 -8.466 379 1HB SER 66 1HB SER 66 -9.457 -7.568 -6.507 380 2HB SER 66 2HB SER 66 -9.299 -6.369 -7.796 381 HG SER 66 HG SER 66 -11.075 -6.275 -5.583 382 H THR 67 H THR 67 -9.390 -7.106 -9.722 383 HA THR 67 HA THR 67 -9.008 -9.926 -10.380 384 HB THR 67 HB THR 67 -10.494 -9.357 -12.060 385 HG1 THR 67 HG1 THR 67 -9.290 -9.621 -13.793 386 1HG2 THR 67 1HG2 THR 67 -10.655 -6.977 -11.585 387 2HG2 THR 67 2HG2 THR 67 -10.542 -7.314 -13.313 388 3HG2 THR 67 3HG2 THR 67 -9.134 -6.718 -12.435 389 H ASN 68 H ASN 68 -7.013 -10.432 -11.366 390 HA ASN 68 HA ASN 68 -4.791 -10.149 -11.885 391 1HB ASN 68 1HB ASN 68 -5.797 -7.615 -12.446 392 2HB ASN 68 2HB ASN 68 -4.479 -7.304 -11.313 393 1HD2 ASN 68 1HD2 ASN 68 -4.153 -6.307 -13.724 394 2HD2 ASN 68 2HD2 ASN 68 -3.015 -7.217 -14.651 395 H CYS 69 H CYS 69 -4.172 -11.283 -10.134 396 HA CYS 69 HA CYS 69 -2.861 -9.840 -7.999 397 1HB CYS 69 1HB CYS 69 -5.280 -11.581 -7.560 398 2HB CYS 69 2HB CYS 69 -4.050 -11.420 -6.309 399 H TYR 70 H TYR 70 -1.115 -11.002 -7.219 400 HA TYR 70 HA TYR 70 -1.009 -13.863 -7.733 401 1HB TYR 70 1HB TYR 70 1.489 -13.340 -8.541 402 2HB TYR 70 2HB TYR 70 0.131 -13.487 -9.654 403 HD1 TYR 70 HD1 TYR 70 -0.871 -11.443 -10.659 404 HD2 TYR 70 HD2 TYR 70 2.609 -11.254 -8.209 405 HE1 TYR 70 HE1 TYR 70 -0.362 -9.216 -11.554 406 HE2 TYR 70 HE2 TYR 70 3.118 -9.022 -9.096 407 HH TYR 70 HH TYR 70 2.024 -7.176 -10.174 408 H LYS 71 H LYS 71 -1.100 -12.025 -5.392 409 HA LYS 71 HA LYS 71 0.876 -13.409 -3.822 410 1HB LYS 71 1HB LYS 71 0.998 -10.413 -3.640 411 2HB LYS 71 2HB LYS 71 2.162 -11.606 -3.069 412 1HG LYS 71 1HG LYS 71 2.819 -12.086 -5.358 413 2HG LYS 71 2HG LYS 71 1.623 -10.937 -5.957 414 1HD LYS 71 1HD LYS 71 2.789 -9.138 -4.725 415 2HD LYS 71 2HD LYS 71 4.018 -10.307 -4.234 416 1HE LYS 71 1HE LYS 71 4.155 -10.747 -6.826 417 2HE LYS 71 2HE LYS 71 3.480 -9.120 -6.915 418 1HZ LYS 71 1HZ LYS 71 6.068 -9.571 -6.805 419 2HZ LYS 71 2HZ LYS 71 5.763 -9.519 -5.142 420 3HZ LYS 71 3HZ LYS 71 5.367 -8.193 -6.114 421 H ALA 72 H ALA 72 -2.001 -13.226 -3.953 422 HA ALA 72 HA ALA 72 -2.684 -11.812 -1.477 423 1HB ALA 72 1HB ALA 72 -4.950 -13.036 -2.739 424 2HB ALA 72 2HB ALA 72 -4.021 -12.121 -3.926 425 3HB ALA 72 3HB ALA 72 -4.610 -11.327 -2.466 426 H THR 73 H THR 73 -3.833 -12.849 0.201 427 HA THR 73 HA THR 73 -3.576 -15.784 0.213 428 HB THR 73 HB THR 73 -1.953 -14.716 1.717 429 HG1 THR 73 HG1 THR 73 -2.532 -16.615 2.541 430 1HG2 THR 73 1HG2 THR 73 -2.437 -12.945 2.937 431 2HG2 THR 73 2HG2 THR 73 -3.613 -13.894 3.845 432 3HG2 THR 73 3HG2 THR 73 -4.117 -13.018 2.401 433 H ALA 74 H ALA 74 -5.853 -13.796 -0.377 434 HA ALA 74 HA ALA 74 -7.855 -15.252 1.169 435 1HB ALA 74 1HB ALA 74 -8.100 -12.270 0.956 436 2HB ALA 74 2HB ALA 74 -7.242 -13.025 2.299 437 3HB ALA 74 3HB ALA 74 -8.949 -13.380 2.030 438 H CYS 75 H CYS 75 -8.273 -16.269 -0.853 439 HA CYS 75 HA CYS 75 -9.318 -14.573 -2.992 440 1HB CYS 75 1HB CYS 75 -7.759 -16.250 -3.725 441 2HB CYS 75 2HB CYS 75 -8.643 -17.515 -2.877 442 H THR 76 H THR 76 -11.383 -14.745 -3.810 443 HA THR 76 HA THR 76 -13.289 -16.582 -2.647 444 HB THR 76 HB THR 76 -13.896 -13.645 -2.394 445 HG1 THR 76 HG1 THR 76 -12.847 -15.300 -0.348 446 1HG2 THR 76 1HG2 THR 76 -15.355 -16.030 -1.880 447 2HG2 THR 76 2HG2 THR 76 -15.858 -14.351 -1.680 448 3HG2 THR 76 3HG2 THR 76 -15.060 -15.197 -0.353 449 H ASN 77 H ASN 77 -12.824 -13.677 -4.621 450 HA ASN 77 HA ASN 77 -14.065 -14.893 -6.891 451 1HB ASN 77 1HB ASN 77 -15.828 -13.054 -7.089 452 2HB ASN 77 2HB ASN 77 -16.137 -14.315 -5.891 453 1HD2 ASN 77 1HD2 ASN 77 -17.231 -13.337 -4.333 454 2HD2 ASN 77 2HD2 ASN 77 -16.742 -11.897 -3.513 455 H SER 78 H SER 78 -11.782 -14.289 -7.369 456 HA SER 78 HA SER 78 -11.735 -11.676 -8.656 457 1HB SER 78 1HB SER 78 -9.886 -12.553 -6.469 458 2HB SER 78 2HB SER 78 -9.273 -11.499 -7.749 459 HG SER 78 HG SER 78 -11.429 -10.999 -5.975 460 H SER 79 H SER 79 -9.758 -11.449 -10.081 461 HA SER 79 HA SER 79 -9.527 -13.829 -11.670 462 1HB SER 79 1HB SER 79 -9.313 -11.078 -12.119 463 2HB SER 79 2HB SER 79 -7.735 -11.755 -12.506 464 HG SER 79 HG SER 79 -10.230 -12.648 -13.527 465 H GLY 80 H GLY 80 -7.374 -11.986 -9.575 466 1HA GLY 80 1HA GLY 80 -5.190 -13.834 -10.214 467 2HA GLY 80 2HA GLY 80 -5.042 -12.318 -9.351 468 H CYS 81 H CYS 81 -7.643 -13.747 -7.972 469 HA CYS 81 HA CYS 81 -6.047 -14.512 -5.699 470 1HB CYS 81 1HB CYS 81 -8.005 -14.519 -4.438 471 2HB CYS 81 2HB CYS 81 -8.305 -13.281 -5.649 472 HA PRO 82 HA PRO 82 -6.113 -18.794 -6.996 473 1HB PRO 82 1HB PRO 82 -3.932 -19.562 -5.632 474 2HB PRO 82 2HB PRO 82 -3.820 -18.567 -7.093 475 1HG PRO 82 1HG PRO 82 -3.438 -17.809 -4.258 476 2HG PRO 82 2HG PRO 82 -2.744 -17.093 -5.721 477 1HD PRO 82 1HD PRO 82 -4.974 -16.153 -4.215 478 2HD PRO 82 2HD PRO 82 -4.352 -15.506 -5.744 479 H GLY 83 H GLY 83 -5.282 -18.098 -3.580 480 1HA GLY 83 1HA GLY 83 -7.046 -18.755 -1.932 481 2HA GLY 83 2HA GLY 83 -7.120 -20.277 -2.809 482 H HIS 84 H HIS 84 -4.259 -18.402 -1.886 483 HA HIS 84 HA HIS 84 -3.021 -20.759 -0.794 484 1HB HIS 84 1HB HIS 84 -2.128 -17.880 -0.987 485 2HB HIS 84 2HB HIS 84 -1.144 -19.147 -0.262 486 HD1 HIS 84 HD1 HIS 84 -1.352 -17.403 -3.272 487 HD2 HIS 84 HD2 HIS 84 -1.030 -21.444 -2.357 488 HE1 HIS 84 HE1 HIS 84 -0.445 -18.492 -5.349 489 HE2 HIS 84 HE2 HIS 84 -0.184 -20.925 -4.746 Start of MODEL 13 1 1H GLN 1 1H GLN 1 -11.371 19.727 -0.788 2 2H GLN 1 2H GLN 1 -9.801 20.182 -0.268 3 3H GLN 1 3H GLN 1 -11.006 19.779 0.886 4 HA GLN 1 HA GLN 1 -9.384 18.036 0.570 5 1HB GLN 1 1HB GLN 1 -12.128 17.917 0.787 6 2HB GLN 1 2HB GLN 1 -11.807 16.818 -0.548 7 1HG GLN 1 1HG GLN 1 -10.092 15.719 0.956 8 2HG GLN 1 2HG GLN 1 -10.790 16.664 2.270 9 1HE2 GLN 1 1HE2 GLN 1 -10.962 14.204 2.835 10 2HE2 GLN 1 2HE2 GLN 1 -12.502 13.500 2.494 11 H CYS 2 H CYS 2 -9.783 15.844 -1.025 12 HA CYS 2 HA CYS 2 -9.351 16.749 -3.778 13 1HB CYS 2 1HB CYS 2 -7.525 14.706 -2.531 14 2HB CYS 2 2HB CYS 2 -7.314 15.584 -4.041 15 H THR 3 H THR 3 -11.503 15.863 -4.029 16 HA THR 3 HA THR 3 -11.401 13.010 -4.619 17 HB THR 3 HB THR 3 -13.758 14.106 -3.101 18 HG1 THR 3 HG1 THR 3 -11.895 14.312 -1.789 19 1HG2 THR 3 1HG2 THR 3 -12.816 11.405 -3.896 20 2HG2 THR 3 2HG2 THR 3 -14.442 12.089 -3.909 21 3HG2 THR 3 3HG2 THR 3 -13.707 11.589 -2.386 22 H GLY 4 H GLY 4 -12.179 12.675 -6.593 23 1HA GLY 4 1HA GLY 4 -14.308 12.955 -7.931 24 2HA GLY 4 2HA GLY 4 -14.040 14.682 -7.705 25 H GLY 5 H GLY 5 -13.605 12.118 -9.776 26 1HA GLY 5 1HA GLY 5 -12.758 12.276 -11.955 27 2HA GLY 5 2HA GLY 5 -11.897 13.734 -11.491 28 H ALA 6 H ALA 6 -10.072 12.850 -12.623 29 HA ALA 6 HA ALA 6 -8.609 10.873 -11.002 30 1HB ALA 6 1HB ALA 6 -7.913 9.688 -12.832 31 2HB ALA 6 2HB ALA 6 -8.071 11.065 -13.921 32 3HB ALA 6 3HB ALA 6 -9.508 10.198 -13.381 33 H ASP 7 H ASP 7 -8.231 13.379 -10.272 34 HA ASP 7 HA ASP 7 -5.492 13.880 -11.012 35 1HB ASP 7 1HB ASP 7 -7.218 15.127 -12.629 36 2HB ASP 7 2HB ASP 7 -7.207 16.295 -11.305 37 H CYS 8 H CYS 8 -4.373 14.725 -9.353 38 HA CYS 8 HA CYS 8 -5.914 15.702 -7.040 39 1HB CYS 8 1HB CYS 8 -3.881 13.698 -7.254 40 2HB CYS 8 2HB CYS 8 -3.265 15.016 -6.252 41 H THR 9 H THR 9 -5.596 17.732 -6.376 42 HA THR 9 HA THR 9 -3.368 19.231 -7.583 43 HB THR 9 HB THR 9 -5.458 20.123 -8.311 44 HG1 THR 9 HG1 THR 9 -5.353 22.212 -7.410 45 1HG2 THR 9 1HG2 THR 9 -7.304 19.869 -7.129 46 2HG2 THR 9 2HG2 THR 9 -6.725 21.127 -6.037 47 3HG2 THR 9 3HG2 THR 9 -6.382 19.431 -5.690 48 H SER 10 H SER 10 -1.739 19.492 -6.216 49 HA SER 10 HA SER 10 -0.534 19.958 -4.346 50 1HB SER 10 1HB SER 10 -1.658 22.117 -4.487 51 2HB SER 10 2HB SER 10 -3.044 21.478 -3.604 52 HG SER 10 HG SER 10 -0.932 22.616 -2.585 53 H CYS 11 H CYS 11 -2.072 17.511 -4.381 54 HA CYS 11 HA CYS 11 -2.570 17.176 -1.494 55 1HB CYS 11 1HB CYS 11 -3.643 15.318 -3.596 56 2HB CYS 11 2HB CYS 11 -4.204 15.548 -1.945 57 H THR 12 H THR 12 -0.865 16.257 -0.565 58 HA THR 12 HA THR 12 0.460 14.033 -1.974 59 HB THR 12 HB THR 12 1.937 15.983 -1.779 60 HG1 THR 12 HG1 THR 12 2.662 13.899 0.002 61 1HG2 THR 12 1HG2 THR 12 2.255 15.756 1.126 62 2HG2 THR 12 2HG2 THR 12 0.769 16.537 0.585 63 3HG2 THR 12 3HG2 THR 12 2.335 17.169 0.075 64 H GLY 13 H GLY 13 -0.919 15.232 0.991 65 1HA GLY 13 1HA GLY 13 -0.017 13.338 2.809 66 2HA GLY 13 2HA GLY 13 -1.565 14.160 2.910 67 H ALA 14 H ALA 14 -3.418 13.169 2.047 68 HA ALA 14 HA ALA 14 -3.113 10.380 1.185 69 1HB ALA 14 1HB ALA 14 -5.403 10.924 2.961 70 2HB ALA 14 2HB ALA 14 -3.813 10.918 3.726 71 3HB ALA 14 3HB ALA 14 -4.371 9.499 2.841 72 H CYS 15 H CYS 15 -4.176 10.036 -0.664 73 HA CYS 15 HA CYS 15 -6.098 12.003 -1.592 74 1HB CYS 15 1HB CYS 15 -5.396 9.487 -3.078 75 2HB CYS 15 2HB CYS 15 -5.893 11.044 -3.719 76 H THR 16 H THR 16 -8.213 11.833 -1.299 77 HA THR 16 HA THR 16 -9.327 9.234 -0.524 78 HB THR 16 HB THR 16 -9.886 10.882 1.073 79 HG1 THR 16 HG1 THR 16 -11.825 10.120 0.977 80 1HG2 THR 16 1HG2 THR 16 -11.323 12.908 0.028 81 2HG2 THR 16 2HG2 THR 16 -10.115 12.674 -1.236 82 3HG2 THR 16 3HG2 THR 16 -9.606 13.003 0.420 83 H GLY 17 H GLY 17 -8.807 9.082 -3.078 84 1HA GLY 17 1HA GLY 17 -9.938 8.362 -4.980 85 2HA GLY 17 2HA GLY 17 -11.430 9.013 -4.304 86 H CYS 18 H CYS 18 -8.286 10.188 -5.522 87 HA CYS 18 HA CYS 18 -9.752 12.373 -6.848 88 1HB CYS 18 1HB CYS 18 -7.861 13.795 -6.574 89 2HB CYS 18 2HB CYS 18 -8.156 13.040 -5.007 90 H GLY 19 H GLY 19 -7.046 10.107 -7.145 91 1HA GLY 19 1HA GLY 19 -7.229 9.057 -9.511 92 2HA GLY 19 2HA GLY 19 -6.893 10.711 -10.017 93 H ASN 20 H ASN 20 -4.967 11.510 -8.250 94 HA ASN 20 HA ASN 20 -2.808 9.542 -8.640 95 1HB ASN 20 1HB ASN 20 -2.571 12.539 -8.972 96 2HB ASN 20 2HB ASN 20 -1.277 11.364 -9.182 97 1HD2 ASN 20 1HD2 ASN 20 -3.703 13.096 -10.693 98 2HD2 ASN 20 2HD2 ASN 20 -3.721 12.259 -12.204 99 H CYS 21 H CYS 21 -1.203 9.446 -7.084 100 HA CYS 21 HA CYS 21 -1.591 11.067 -4.664 101 1HB CYS 21 1HB CYS 21 -2.078 8.276 -4.929 102 2HB CYS 21 2HB CYS 21 -0.622 8.465 -3.953 103 HA PRO 22 HA PRO 22 2.817 11.263 -5.601 104 1HB PRO 22 1HB PRO 22 3.170 13.836 -4.878 105 2HB PRO 22 2HB PRO 22 2.479 13.360 -6.429 106 1HG PRO 22 1HG PRO 22 1.171 14.558 -4.082 107 2HG PRO 22 2HG PRO 22 0.645 14.537 -5.771 108 1HD PRO 22 1HD PRO 22 -0.237 12.860 -3.610 109 2HD PRO 22 2HD PRO 22 -0.785 12.853 -5.297 110 H ASN 23 H ASN 23 3.720 9.990 -4.058 111 HA ASN 23 HA ASN 23 4.912 9.465 -2.201 112 1HB ASN 23 1HB ASN 23 4.908 12.209 -1.083 113 2HB ASN 23 2HB ASN 23 6.244 11.083 -1.307 114 1HD2 ASN 23 1HD2 ASN 23 5.473 10.751 -4.200 115 2HD2 ASN 23 2HD2 ASN 23 6.077 12.173 -4.968 116 H ALA 24 H ALA 24 1.971 9.637 -2.186 117 HA ALA 24 HA ALA 24 1.264 10.401 0.511 118 1HB ALA 24 1HB ALA 24 -0.847 10.388 -0.225 119 2HB ALA 24 2HB ALA 24 -0.687 8.780 -0.928 120 3HB ALA 24 3HB ALA 24 -0.147 10.195 -1.832 121 H VAL 25 H VAL 25 0.576 9.003 2.160 122 HA VAL 25 HA VAL 25 1.922 6.442 2.156 123 HB VAL 25 HB VAL 25 2.035 7.884 4.142 124 1HG1 VAL 25 1HG1 VAL 25 -0.924 7.350 4.387 125 2HG1 VAL 25 2HG1 VAL 25 -0.179 8.899 3.994 126 3HG1 VAL 25 3HG1 VAL 25 0.079 8.173 5.581 127 1HG2 VAL 25 1HG2 VAL 25 2.472 5.835 4.955 128 2HG2 VAL 25 2HG2 VAL 25 1.063 5.114 4.177 129 3HG2 VAL 25 3HG2 VAL 25 0.881 5.983 5.701 130 H THR 26 H THR 26 -1.392 7.650 2.211 131 HA THR 26 HA THR 26 -2.344 5.075 1.299 132 HB THR 26 HB THR 26 -3.873 6.104 3.623 133 HG1 THR 26 HG1 THR 26 -1.468 4.645 3.962 134 1HG2 THR 26 1HG2 THR 26 -4.173 3.909 2.163 135 2HG2 THR 26 2HG2 THR 26 -4.583 3.976 3.877 136 3HG2 THR 26 3HG2 THR 26 -3.045 3.281 3.364 137 H CYS 27 H CYS 27 -4.424 5.155 0.375 138 HA CYS 27 HA CYS 27 -5.667 7.805 0.187 139 1HB CYS 27 1HB CYS 27 -6.045 6.748 -2.351 140 2HB CYS 27 2HB CYS 27 -4.928 8.043 -1.930 141 H THR 28 H THR 28 -7.875 7.809 -0.190 142 HA THR 28 HA THR 28 -9.205 5.247 0.317 143 HB THR 28 HB THR 28 -10.591 7.916 0.280 144 HG1 THR 28 HG1 THR 28 -9.188 6.838 2.495 145 1HG2 THR 28 1HG2 THR 28 -12.166 6.976 1.669 146 2HG2 THR 28 2HG2 THR 28 -11.076 5.705 2.222 147 3HG2 THR 28 3HG2 THR 28 -11.761 5.635 0.599 148 H ASN 29 H ASN 29 -9.193 4.331 -1.704 149 HA ASN 29 HA ASN 29 -10.146 3.776 -3.662 150 1HB ASN 29 1HB ASN 29 -11.440 6.507 -3.774 151 2HB ASN 29 2HB ASN 29 -11.921 5.047 -4.639 152 1HD2 ASN 29 1HD2 ASN 29 -12.354 6.932 -1.876 153 2HD2 ASN 29 2HD2 ASN 29 -13.385 5.857 -1.003 154 H SER 30 H SER 30 -10.538 6.079 -5.607 155 HA SER 30 HA SER 30 -9.329 7.436 -7.030 156 1HB SER 30 1HB SER 30 -6.687 6.743 -5.828 157 2HB SER 30 2HB SER 30 -7.273 8.296 -6.420 158 HG SER 30 HG SER 30 -7.084 8.272 -4.148 159 H GLN 31 H GLN 31 -7.041 7.014 -8.404 160 HA GLN 31 HA GLN 31 -6.988 4.165 -9.085 161 1HB GLN 31 1HB GLN 31 -8.651 5.521 -10.511 162 2HB GLN 31 2HB GLN 31 -7.218 6.227 -11.260 163 1HG GLN 31 1HG GLN 31 -6.569 4.219 -12.214 164 2HG GLN 31 2HG GLN 31 -7.534 3.259 -11.094 165 1HE2 GLN 31 1HE2 GLN 31 -9.983 4.233 -11.236 166 2HE2 GLN 31 2HE2 GLN 31 -10.618 4.145 -12.840 167 H HIS 32 H HIS 32 -4.931 5.129 -7.746 168 HA HIS 32 HA HIS 32 -2.738 4.684 -9.406 169 1HB HIS 32 1HB HIS 32 -3.475 7.046 -10.149 170 2HB HIS 32 2HB HIS 32 -2.801 7.583 -8.610 171 HD1 HIS 32 HD1 HIS 32 -0.391 8.158 -8.663 172 HD2 HIS 32 HD2 HIS 32 -1.441 5.597 -11.763 173 HE1 HIS 32 HE1 HIS 32 1.684 7.907 -10.060 174 HE2 HIS 32 HE2 HIS 32 1.049 6.285 -11.881 175 H CYS 33 H CYS 33 -3.576 3.774 -6.919 176 HA CYS 33 HA CYS 33 -1.777 5.028 -4.980 177 1HB CYS 33 1HB CYS 33 -3.870 2.865 -4.670 178 2HB CYS 33 2HB CYS 33 -2.854 3.460 -3.355 179 H VAL 34 H VAL 34 -0.513 3.786 -7.110 180 HA VAL 34 HA VAL 34 0.204 1.112 -6.753 181 HB VAL 34 HB VAL 34 0.704 2.440 -8.789 182 1HG1 VAL 34 1HG1 VAL 34 2.674 3.876 -8.848 183 2HG1 VAL 34 2HG1 VAL 34 2.922 3.627 -7.118 184 3HG1 VAL 34 3HG1 VAL 34 1.489 4.483 -7.690 185 1HG2 VAL 34 1HG2 VAL 34 3.356 1.447 -7.925 186 2HG2 VAL 34 2HG2 VAL 34 2.426 1.083 -9.379 187 3HG2 VAL 34 3HG2 VAL 34 2.010 0.311 -7.848 188 H LYS 35 H LYS 35 1.598 4.064 -5.421 189 HA LYS 35 HA LYS 35 3.472 2.448 -3.850 190 1HB LYS 35 1HB LYS 35 4.816 4.380 -3.623 191 2HB LYS 35 2HB LYS 35 4.290 4.365 -5.297 192 1HG LYS 35 1HG LYS 35 2.372 5.847 -3.856 193 2HG LYS 35 2HG LYS 35 3.961 6.400 -3.326 194 1HD LYS 35 1HD LYS 35 3.061 6.185 -6.199 195 2HD LYS 35 2HD LYS 35 3.109 7.676 -5.257 196 1HE LYS 35 1HE LYS 35 5.381 7.813 -5.329 197 2HE LYS 35 2HE LYS 35 5.593 6.063 -5.389 198 1HZ LYS 35 1HZ LYS 35 6.206 7.177 -7.474 199 2HZ LYS 35 2HZ LYS 35 4.615 7.724 -7.649 200 3HZ LYS 35 3HZ LYS 35 4.948 6.066 -7.690 201 H ALA 36 H ALA 36 0.739 2.475 -3.130 202 HA ALA 36 HA ALA 36 0.749 4.085 -0.663 203 1HB ALA 36 1HB ALA 36 -1.122 4.258 -2.485 204 2HB ALA 36 2HB ALA 36 -1.543 4.270 -0.772 205 3HB ALA 36 3HB ALA 36 -1.725 2.791 -1.714 206 H ASN 37 H ASN 37 0.461 3.112 1.308 207 HA ASN 37 HA ASN 37 1.227 0.427 1.610 208 1HB ASN 37 1HB ASN 37 0.096 2.504 3.446 209 2HB ASN 37 2HB ASN 37 0.201 0.836 4.001 210 1HD2 ASN 37 1HD2 ASN 37 2.288 2.989 2.097 211 2HD2 ASN 37 2HD2 ASN 37 3.708 2.727 3.046 212 H THR 38 H THR 38 -1.927 1.966 1.480 213 HA THR 38 HA THR 38 -3.164 -0.622 1.026 214 HB THR 38 HB THR 38 -4.391 1.173 3.104 215 HG1 THR 38 HG1 THR 38 -2.460 -0.856 3.477 216 1HG2 THR 38 1HG2 THR 38 -5.043 -1.321 3.817 217 2HG2 THR 38 2HG2 THR 38 -4.902 -1.534 2.073 218 3HG2 THR 38 3HG2 THR 38 -6.014 -0.333 2.728 219 H CYS 39 H CYS 39 -5.118 -0.494 -0.113 220 HA CYS 39 HA CYS 39 -6.108 2.169 -0.779 221 1HB CYS 39 1HB CYS 39 -6.229 1.289 -3.241 222 2HB CYS 39 2HB CYS 39 -4.739 2.005 -2.627 223 H THR 40 H THR 40 -8.194 2.154 -0.384 224 HA THR 40 HA THR 40 -9.724 -0.324 -0.799 225 HB THR 40 HB THR 40 -10.810 2.023 0.707 226 HG1 THR 40 HG1 THR 40 -8.825 0.235 1.620 227 1HG2 THR 40 1HG2 THR 40 -12.146 -0.066 0.278 228 2HG2 THR 40 2HG2 THR 40 -12.004 0.435 1.963 229 3HG2 THR 40 3HG2 THR 40 -11.023 -0.897 1.355 230 H GLY 41 H GLY 41 -11.055 -0.398 -2.508 231 1HA GLY 41 1HA GLY 41 -12.414 0.287 -4.243 232 2HA GLY 41 2HA GLY 41 -12.730 1.736 -3.304 233 H SER 42 H SER 42 -9.673 0.540 -4.573 234 HA SER 42 HA SER 42 -9.584 2.838 -6.390 235 1HB SER 42 1HB SER 42 -8.302 3.198 -4.150 236 2HB SER 42 2HB SER 42 -7.163 2.011 -4.778 237 HG SER 42 HG SER 42 -6.320 3.569 -5.873 238 H THR 43 H THR 43 -6.992 2.312 -7.368 239 HA THR 43 HA THR 43 -6.986 -0.526 -8.000 240 HB THR 43 HB THR 43 -7.418 -0.379 -10.201 241 HG1 THR 43 HG1 THR 43 -6.632 1.175 -11.535 242 1HG2 THR 43 1HG2 THR 43 -8.860 1.624 -10.828 243 2HG2 THR 43 2HG2 THR 43 -8.665 2.129 -9.148 244 3HG2 THR 43 3HG2 THR 43 -9.416 0.576 -9.523 245 H ASP 44 H ASP 44 -5.000 0.300 -10.268 246 HA ASP 44 HA ASP 44 -2.675 -0.198 -10.100 247 1HB ASP 44 1HB ASP 44 -3.356 2.699 -9.799 248 2HB ASP 44 2HB ASP 44 -1.664 2.208 -9.768 249 H CYS 45 H CYS 45 -2.430 -1.516 -8.226 250 HA CYS 45 HA CYS 45 -1.056 -0.143 -6.037 251 1HB CYS 45 1HB CYS 45 -3.509 -1.849 -5.776 252 2HB CYS 45 2HB CYS 45 -2.310 -1.829 -4.477 253 H ASN 46 H ASN 46 0.898 -0.995 -6.062 254 HA ASN 46 HA ASN 46 1.170 -3.893 -6.505 255 1HB ASN 46 1HB ASN 46 2.280 -2.305 -8.154 256 2HB ASN 46 2HB ASN 46 3.360 -1.840 -6.837 257 1HD2 ASN 46 1HD2 ASN 46 4.577 -3.596 -5.808 258 2HD2 ASN 46 2HD2 ASN 46 5.117 -4.909 -6.792 259 H THR 47 H THR 47 2.152 -1.165 -4.505 260 HA THR 47 HA THR 47 3.708 -2.864 -2.746 261 HB THR 47 HB THR 47 4.326 -0.476 -3.324 262 HG1 THR 47 HG1 THR 47 5.241 -0.211 -1.372 263 1HG2 THR 47 1HG2 THR 47 1.989 0.425 -2.947 264 2HG2 THR 47 2HG2 THR 47 3.322 1.344 -2.247 265 3HG2 THR 47 3HG2 THR 47 2.335 0.303 -1.223 266 H ALA 48 H ALA 48 0.499 -1.557 -2.933 267 HA ALA 48 HA ALA 48 -0.284 -1.524 -0.275 268 1HB ALA 48 1HB ALA 48 -2.007 -2.455 -2.564 269 2HB ALA 48 2HB ALA 48 -1.638 -0.764 -2.226 270 3HB ALA 48 3HB ALA 48 -2.537 -1.724 -1.049 271 H GLN 49 H GLN 49 -0.680 -3.014 1.244 272 HA GLN 49 HA GLN 49 -0.140 -5.796 0.630 273 1HB GLN 49 1HB GLN 49 -0.902 -4.661 3.315 274 2HB GLN 49 2HB GLN 49 -0.026 -6.148 2.977 275 1HG GLN 49 1HG GLN 49 1.916 -5.093 3.031 276 2HG GLN 49 2HG GLN 49 1.365 -3.904 1.853 277 1HE2 GLN 49 1HE2 GLN 49 -0.640 -2.654 3.207 278 2HE2 GLN 49 2HE2 GLN 49 0.000 -1.829 4.582 279 H THR 50 H THR 50 -2.833 -3.953 0.397 280 HA THR 50 HA THR 50 -4.579 -6.133 0.148 281 HB THR 50 HB THR 50 -4.285 -5.890 2.704 282 HG1 THR 50 HG1 THR 50 -6.918 -5.799 1.666 283 1HG2 THR 50 1HG2 THR 50 -5.625 -4.329 3.854 284 2HG2 THR 50 2HG2 THR 50 -6.336 -3.730 2.354 285 3HG2 THR 50 3HG2 THR 50 -4.639 -3.409 2.715 286 H CYS 51 H CYS 51 -6.841 -5.410 -0.299 287 HA CYS 51 HA CYS 51 -7.524 -2.698 -0.580 288 1HB CYS 51 1HB CYS 51 -7.259 -2.334 -2.954 289 2HB CYS 51 2HB CYS 51 -5.692 -2.787 -2.279 290 H THR 52 H THR 52 -9.360 -2.459 -2.294 291 HA THR 52 HA THR 52 -10.882 -4.884 -2.736 292 HB THR 52 HB THR 52 -11.475 -4.144 -0.422 293 HG1 THR 52 HG1 THR 52 -13.433 -4.112 -2.456 294 1HG2 THR 52 1HG2 THR 52 -12.560 -1.726 -1.838 295 2HG2 THR 52 2HG2 THR 52 -11.326 -1.764 -0.578 296 3HG2 THR 52 3HG2 THR 52 -12.991 -2.206 -0.196 297 H ASN 53 H ASN 53 -12.292 -4.712 -4.438 298 HA ASN 53 HA ASN 53 -13.174 -3.890 -6.367 299 1HB ASN 53 1HB ASN 53 -13.455 -1.643 -4.443 300 2HB ASN 53 2HB ASN 53 -13.672 -1.261 -6.153 301 1HD2 ASN 53 1HD2 ASN 53 -15.012 -2.720 -3.373 302 2HD2 ASN 53 2HD2 ASN 53 -16.504 -3.230 -4.078 303 H SER 54 H SER 54 -10.260 -3.843 -5.893 304 HA SER 54 HA SER 54 -9.386 -1.571 -7.530 305 1HB SER 54 1HB SER 54 -7.259 -1.897 -6.675 306 2HB SER 54 2HB SER 54 -8.240 -2.488 -5.328 307 HG SER 54 HG SER 54 -7.874 -4.591 -6.041 308 H LYS 55 H LYS 55 -7.491 -2.257 -9.077 309 HA LYS 55 HA LYS 55 -8.362 -4.638 -10.583 310 1HB LYS 55 1HB LYS 55 -7.609 -1.894 -11.521 311 2HB LYS 55 2HB LYS 55 -7.320 -3.276 -12.568 312 1HG LYS 55 1HG LYS 55 -9.922 -3.642 -11.730 313 2HG LYS 55 2HG LYS 55 -9.794 -1.895 -11.945 314 1HD LYS 55 1HD LYS 55 -10.215 -2.332 -14.105 315 2HD LYS 55 2HD LYS 55 -8.524 -2.829 -14.175 316 1HE LYS 55 1HE LYS 55 -9.037 -5.062 -14.174 317 2HE LYS 55 2HE LYS 55 -10.551 -4.824 -13.300 318 1HZ LYS 55 1HZ LYS 55 -11.438 -5.174 -15.318 319 2HZ LYS 55 2HZ LYS 55 -10.028 -4.752 -16.150 320 3HZ LYS 55 3HZ LYS 55 -11.066 -3.544 -15.584 321 H ASP 56 H ASP 56 -6.195 -4.075 -8.503 322 HA ASP 56 HA ASP 56 -4.100 -5.499 -9.887 323 1HB ASP 56 1HB ASP 56 -3.420 -3.017 -8.317 324 2HB ASP 56 2HB ASP 56 -2.350 -3.983 -9.339 325 H CYS 57 H CYS 57 -2.440 -4.579 -7.443 326 HA CYS 57 HA CYS 57 -2.003 -5.226 -5.302 327 1HB CYS 57 1HB CYS 57 -4.784 -6.418 -5.224 328 2HB CYS 57 2HB CYS 57 -3.740 -6.063 -3.849 329 H PHE 58 H PHE 58 -0.530 -6.617 -6.511 330 HA PHE 58 HA PHE 58 -1.272 -9.349 -6.991 331 1HB PHE 58 1HB PHE 58 1.533 -8.234 -6.921 332 2HB PHE 58 2HB PHE 58 0.959 -9.655 -7.783 333 HD1 PHE 58 HD1 PHE 58 2.607 -7.673 -9.028 334 HD2 PHE 58 HD2 PHE 58 -1.617 -7.826 -8.573 335 HE1 PHE 58 HE1 PHE 58 2.345 -6.327 -11.058 336 HE2 PHE 58 HE2 PHE 58 -1.886 -6.480 -10.606 337 HZ PHE 58 HZ PHE 58 0.105 -5.751 -11.822 338 H GLU 59 H GLU 59 0.578 -7.612 -4.532 339 HA GLU 59 HA GLU 59 0.838 -10.121 -3.019 340 1HB GLU 59 1HB GLU 59 2.641 -9.039 -1.787 341 2HB GLU 59 2HB GLU 59 2.952 -8.970 -3.522 342 1HG GLU 59 1HG GLU 59 2.047 -6.645 -3.511 343 2HG GLU 59 2HG GLU 59 1.972 -6.742 -1.752 344 H ALA 60 H ALA 60 -1.658 -8.999 -2.974 345 HA ALA 60 HA ALA 60 -1.838 -7.479 -0.476 346 1HB ALA 60 1HB ALA 60 -3.617 -7.864 -2.816 347 2HB ALA 60 2HB ALA 60 -3.242 -6.402 -1.903 348 3HB ALA 60 3HB ALA 60 -4.376 -7.582 -1.250 349 H ASN 61 H ASN 61 -2.503 -8.354 1.377 350 HA ASN 61 HA ASN 61 -2.815 -11.152 1.642 351 1HB ASN 61 1HB ASN 61 -3.679 -9.104 3.684 352 2HB ASN 61 2HB ASN 61 -3.126 -10.752 3.968 353 1HD2 ASN 61 1HD2 ASN 61 -2.215 -7.899 4.696 354 2HD2 ASN 61 2HD2 ASN 61 -0.512 -7.950 4.411 355 H THR 62 H THR 62 -5.107 -8.488 1.431 356 HA THR 62 HA THR 62 -7.295 -10.465 1.428 357 HB THR 62 HB THR 62 -7.939 -7.622 1.959 358 HG1 THR 62 HG1 THR 62 -7.306 -7.802 4.121 359 1HG2 THR 62 1HG2 THR 62 -9.841 -8.641 2.460 360 2HG2 THR 62 2HG2 THR 62 -9.040 -9.190 3.932 361 3HG2 THR 62 3HG2 THR 62 -9.074 -10.227 2.507 362 H CYS 63 H CYS 63 -7.338 -10.834 -0.767 363 HA CYS 63 HA CYS 63 -7.739 -8.524 -2.531 364 1HB CYS 63 1HB CYS 63 -5.987 -10.061 -3.231 365 2HB CYS 63 2HB CYS 63 -7.112 -11.418 -3.164 366 H THR 64 H THR 64 -9.922 -8.279 -1.594 367 HA THR 64 HA THR 64 -11.848 -10.263 -2.585 368 HB THR 64 HB THR 64 -13.387 -8.660 -1.099 369 HG1 THR 64 HG1 THR 64 -12.313 -7.659 0.469 370 1HG2 THR 64 1HG2 THR 64 -12.254 -10.133 0.913 371 2HG2 THR 64 2HG2 THR 64 -11.887 -11.079 -0.528 372 3HG2 THR 64 3HG2 THR 64 -13.558 -10.659 -0.151 373 H ASP 65 H ASP 65 -13.224 -9.803 -4.184 374 HA ASP 65 HA ASP 65 -14.152 -8.713 -5.956 375 1HB ASP 65 1HB ASP 65 -14.279 -6.544 -3.856 376 2HB ASP 65 2HB ASP 65 -15.055 -6.411 -5.437 377 H SER 66 H SER 66 -11.882 -8.896 -6.848 378 HA SER 66 HA SER 66 -11.197 -6.442 -8.113 379 1HB SER 66 1HB SER 66 -9.079 -5.976 -7.185 380 2HB SER 66 2HB SER 66 -10.109 -6.289 -5.782 381 HG SER 66 HG SER 66 -7.989 -7.380 -5.856 382 H THR 67 H THR 67 -8.779 -6.874 -9.129 383 HA THR 67 HA THR 67 -8.668 -9.631 -10.091 384 HB THR 67 HB THR 67 -9.951 -8.633 -11.783 385 HG1 THR 67 HG1 THR 67 -7.291 -8.328 -12.703 386 1HG2 THR 67 1HG2 THR 67 -9.635 -6.295 -11.123 387 2HG2 THR 67 2HG2 THR 67 -9.493 -6.551 -12.862 388 3HG2 THR 67 3HG2 THR 67 -8.044 -6.321 -11.883 389 H ASN 68 H ASN 68 -6.654 -10.119 -11.257 390 HA ASN 68 HA ASN 68 -4.384 -10.165 -11.394 391 1HB ASN 68 1HB ASN 68 -5.049 -7.655 -12.172 392 2HB ASN 68 2HB ASN 68 -4.023 -7.286 -10.782 393 1HD2 ASN 68 1HD2 ASN 68 -4.000 -7.645 -14.006 394 2HD2 ASN 68 2HD2 ASN 68 -2.358 -8.123 -14.251 395 H CYS 69 H CYS 69 -4.603 -11.326 -9.316 396 HA CYS 69 HA CYS 69 -3.202 -9.867 -7.181 397 1HB CYS 69 1HB CYS 69 -5.650 -11.590 -7.003 398 2HB CYS 69 2HB CYS 69 -4.535 -11.516 -5.636 399 H TYR 70 H TYR 70 -1.329 -10.844 -8.263 400 HA TYR 70 HA TYR 70 -1.005 -13.698 -8.158 401 1HB TYR 70 1HB TYR 70 1.156 -11.639 -8.622 402 2HB TYR 70 2HB TYR 70 1.152 -13.334 -9.117 403 HD1 TYR 70 HD1 TYR 70 1.315 -10.442 -10.614 404 HD2 TYR 70 HD2 TYR 70 -1.530 -13.590 -10.313 405 HE1 TYR 70 HE1 TYR 70 0.380 -9.796 -12.794 406 HE2 TYR 70 HE2 TYR 70 -2.472 -12.955 -12.493 407 HH TYR 70 HH TYR 70 -0.919 -10.722 -14.588 408 H LYS 71 H LYS 71 -1.175 -14.320 -6.059 409 HA LYS 71 HA LYS 71 0.075 -15.136 -4.227 410 1HB LYS 71 1HB LYS 71 2.103 -13.817 -5.044 411 2HB LYS 71 2HB LYS 71 1.489 -12.475 -4.076 412 1HG LYS 71 1HG LYS 71 1.472 -14.655 -2.350 413 2HG LYS 71 2HG LYS 71 2.974 -14.813 -3.262 414 1HD LYS 71 1HD LYS 71 2.099 -12.263 -1.916 415 2HD LYS 71 2HD LYS 71 3.147 -13.460 -1.152 416 1HE LYS 71 1HE LYS 71 3.917 -12.518 -3.852 417 2HE LYS 71 2HE LYS 71 4.089 -11.370 -2.526 418 1HZ LYS 71 1HZ LYS 71 5.692 -12.622 -1.524 419 2HZ LYS 71 2HZ LYS 71 6.013 -13.002 -3.141 420 3HZ LYS 71 3HZ LYS 71 5.143 -14.084 -2.176 421 H ALA 72 H ALA 72 -2.396 -14.457 -4.067 422 HA ALA 72 HA ALA 72 -2.614 -12.581 -1.802 423 1HB ALA 72 1HB ALA 72 -3.877 -11.569 -3.455 424 2HB ALA 72 2HB ALA 72 -5.090 -12.504 -2.579 425 3HB ALA 72 3HB ALA 72 -4.446 -13.106 -4.106 426 H THR 73 H THR 73 -3.476 -13.310 0.058 427 HA THR 73 HA THR 73 -4.067 -16.143 0.254 428 HB THR 73 HB THR 73 -4.347 -15.436 2.754 429 HG1 THR 73 HG1 THR 73 -4.401 -13.228 2.489 430 1HG2 THR 73 1HG2 THR 73 -1.614 -15.093 1.565 431 2HG2 THR 73 2HG2 THR 73 -2.391 -16.662 1.775 432 3HG2 THR 73 3HG2 THR 73 -2.037 -15.657 3.181 433 H ALA 74 H ALA 74 -5.906 -13.633 -0.663 434 HA ALA 74 HA ALA 74 -8.335 -14.922 0.310 435 1HB ALA 74 1HB ALA 74 -9.168 -13.188 1.482 436 2HB ALA 74 2HB ALA 74 -8.458 -11.982 0.409 437 3HB ALA 74 3HB ALA 74 -7.468 -12.748 1.652 438 H CYS 75 H CYS 75 -8.741 -15.620 -1.782 439 HA CYS 75 HA CYS 75 -9.427 -13.488 -3.697 440 1HB CYS 75 1HB CYS 75 -7.436 -14.735 -4.437 441 2HB CYS 75 2HB CYS 75 -8.347 -16.244 -4.342 442 H THR 76 H THR 76 -11.522 -13.681 -2.514 443 HA THR 76 HA THR 76 -13.116 -15.962 -2.535 444 HB THR 76 HB THR 76 -13.595 -13.866 -1.270 445 HG1 THR 76 HG1 THR 76 -15.600 -14.474 -1.171 446 1HG2 THR 76 1HG2 THR 76 -13.239 -12.294 -3.181 447 2HG2 THR 76 2HG2 THR 76 -14.713 -12.028 -2.249 448 3HG2 THR 76 3HG2 THR 76 -14.794 -12.829 -3.818 449 H ASN 77 H ASN 77 -12.989 -13.322 -4.924 450 HA ASN 77 HA ASN 77 -13.666 -15.151 -7.046 451 1HB ASN 77 1HB ASN 77 -15.557 -12.871 -6.412 452 2HB ASN 77 2HB ASN 77 -15.674 -13.967 -7.790 453 1HD2 ASN 77 1HD2 ASN 77 -16.607 -13.382 -4.628 454 2HD2 ASN 77 2HD2 ASN 77 -17.300 -14.925 -4.274 455 H SER 78 H SER 78 -11.511 -13.301 -6.282 456 HA SER 78 HA SER 78 -11.681 -11.174 -8.256 457 1HB SER 78 1HB SER 78 -9.646 -11.890 -6.146 458 2HB SER 78 2HB SER 78 -9.351 -10.630 -7.351 459 HG SER 78 HG SER 78 -11.117 -10.667 -5.195 460 H SER 79 H SER 79 -9.998 -10.850 -9.858 461 HA SER 79 HA SER 79 -9.232 -13.374 -11.081 462 1HB SER 79 1HB SER 79 -8.391 -10.938 -12.463 463 2HB SER 79 2HB SER 79 -9.365 -12.285 -13.048 464 HG SER 79 HG SER 79 -11.163 -11.352 -12.024 465 H GLY 80 H GLY 80 -7.064 -13.629 -12.024 466 1HA GLY 80 1HA GLY 80 -4.768 -13.608 -11.912 467 2HA GLY 80 2HA GLY 80 -4.880 -12.064 -11.075 468 H CYS 81 H CYS 81 -6.697 -14.534 -9.590 469 HA CYS 81 HA CYS 81 -4.483 -15.314 -7.842 470 1HB CYS 81 1HB CYS 81 -6.088 -14.952 -5.865 471 2HB CYS 81 2HB CYS 81 -5.324 -13.526 -6.572 472 HA PRO 82 HA PRO 82 -6.477 -19.242 -7.903 473 1HB PRO 82 1HB PRO 82 -5.660 -19.918 -5.210 474 2HB PRO 82 2HB PRO 82 -4.966 -20.455 -6.744 475 1HG PRO 82 1HG PRO 82 -3.682 -18.793 -4.986 476 2HG PRO 82 2HG PRO 82 -3.360 -18.834 -6.727 477 1HD PRO 82 1HD PRO 82 -5.014 -16.904 -5.147 478 2HD PRO 82 2HD PRO 82 -3.916 -16.598 -6.510 479 H GLY 83 H GLY 83 -6.722 -18.552 -4.424 480 1HA GLY 83 1HA GLY 83 -8.531 -18.515 -3.013 481 2HA GLY 83 2HA GLY 83 -9.441 -17.865 -4.368 482 H HIS 84 H HIS 84 -7.931 -20.952 -4.747 483 HA HIS 84 HA HIS 84 -10.235 -22.459 -3.886 484 1HB HIS 84 1HB HIS 84 -9.970 -21.605 -6.643 485 2HB HIS 84 2HB HIS 84 -9.966 -23.361 -6.525 486 HD1 HIS 84 HD1 HIS 84 -11.993 -23.580 -4.140 487 HD2 HIS 84 HD2 HIS 84 -12.537 -21.291 -7.565 488 HE1 HIS 84 HE1 HIS 84 -14.481 -23.281 -4.361 489 HE2 HIS 84 HE2 HIS 84 -14.783 -21.833 -6.400 Start of MODEL 14 1 1H GLN 1 1H GLN 1 -11.614 20.429 -3.428 2 2H GLN 1 2H GLN 1 -10.099 21.107 -3.864 3 3H GLN 1 3H GLN 1 -11.285 22.077 -3.093 4 HA GLN 1 HA GLN 1 -9.766 21.578 -1.463 5 1HB GLN 1 1HB GLN 1 -12.395 20.874 -1.316 6 2HB GLN 1 2HB GLN 1 -11.621 19.365 -0.849 7 1HG GLN 1 1HG GLN 1 -10.245 20.926 0.741 8 2HG GLN 1 2HG GLN 1 -11.625 22.002 0.525 9 1HE2 GLN 1 1HE2 GLN 1 -11.149 21.167 3.002 10 2HE2 GLN 1 2HE2 GLN 1 -12.301 19.979 3.501 11 H CYS 2 H CYS 2 -10.965 18.358 -2.413 12 HA CYS 2 HA CYS 2 -8.488 17.300 -3.182 13 1HB CYS 2 1HB CYS 2 -8.982 17.368 -0.296 14 2HB CYS 2 2HB CYS 2 -8.625 15.753 -0.896 15 H THR 3 H THR 3 -10.686 16.987 -4.482 16 HA THR 3 HA THR 3 -11.390 14.180 -4.086 17 HB THR 3 HB THR 3 -13.718 14.501 -4.124 18 HG1 THR 3 HG1 THR 3 -13.290 17.238 -4.721 19 1HG2 THR 3 1HG2 THR 3 -14.229 16.244 -2.404 20 2HG2 THR 3 2HG2 THR 3 -12.519 16.677 -2.439 21 3HG2 THR 3 3HG2 THR 3 -13.009 15.058 -1.938 22 H GLY 4 H GLY 4 -9.802 15.842 -6.009 23 1HA GLY 4 1HA GLY 4 -11.305 15.753 -8.478 24 2HA GLY 4 2HA GLY 4 -9.612 16.207 -8.297 25 H GLY 5 H GLY 5 -11.835 13.674 -9.018 26 1HA GLY 5 1HA GLY 5 -10.054 11.474 -8.788 27 2HA GLY 5 2HA GLY 5 -11.545 11.502 -9.715 28 H ALA 6 H ALA 6 -8.206 12.731 -9.837 29 HA ALA 6 HA ALA 6 -7.604 11.577 -12.314 30 1HB ALA 6 1HB ALA 6 -7.489 14.002 -13.452 31 2HB ALA 6 2HB ALA 6 -8.915 14.221 -12.438 32 3HB ALA 6 3HB ALA 6 -8.868 12.917 -13.626 33 H ASP 7 H ASP 7 -6.954 14.917 -11.297 34 HA ASP 7 HA ASP 7 -4.139 14.149 -10.882 35 1HB ASP 7 1HB ASP 7 -5.293 16.791 -11.806 36 2HB ASP 7 2HB ASP 7 -3.586 16.510 -11.453 37 H CYS 8 H CYS 8 -3.416 14.298 -8.868 38 HA CYS 8 HA CYS 8 -4.957 15.883 -6.940 39 1HB CYS 8 1HB CYS 8 -3.761 13.291 -6.842 40 2HB CYS 8 2HB CYS 8 -2.978 14.307 -5.630 41 H THR 9 H THR 9 -3.928 17.836 -7.826 42 HA THR 9 HA THR 9 -1.121 18.184 -7.081 43 HB THR 9 HB THR 9 -1.826 20.562 -8.179 44 HG1 THR 9 HG1 THR 9 -3.479 20.387 -9.464 45 1HG2 THR 9 1HG2 THR 9 -0.020 19.648 -9.206 46 2HG2 THR 9 2HG2 THR 9 -1.239 19.363 -10.448 47 3HG2 THR 9 3HG2 THR 9 -0.768 18.059 -9.359 48 H SER 10 H SER 10 -3.780 18.253 -5.369 49 HA SER 10 HA SER 10 -3.095 20.733 -3.935 50 1HB SER 10 1HB SER 10 -5.563 20.213 -2.998 51 2HB SER 10 2HB SER 10 -5.275 21.190 -4.437 52 HG SER 10 HG SER 10 -5.851 19.520 -5.705 53 H CYS 11 H CYS 11 -3.967 17.334 -3.638 54 HA CYS 11 HA CYS 11 -3.634 17.341 -0.766 55 1HB CYS 11 1HB CYS 11 -3.804 14.851 -2.436 56 2HB CYS 11 2HB CYS 11 -4.380 15.125 -0.796 57 H THR 12 H THR 12 -2.128 15.803 0.289 58 HA THR 12 HA THR 12 0.281 15.196 -1.240 59 HB THR 12 HB THR 12 1.565 16.146 0.852 60 HG1 THR 12 HG1 THR 12 0.148 17.006 2.159 61 1HG2 THR 12 1HG2 THR 12 1.574 18.456 -0.206 62 2HG2 THR 12 2HG2 THR 12 0.474 17.781 -1.408 63 3HG2 THR 12 3HG2 THR 12 2.090 17.102 -1.211 64 H GLY 13 H GLY 13 -1.353 15.060 1.907 65 1HA GLY 13 1HA GLY 13 0.177 12.831 2.832 66 2HA GLY 13 2HA GLY 13 -1.277 13.473 3.577 67 H ALA 14 H ALA 14 -3.312 12.695 2.912 68 HA ALA 14 HA ALA 14 -3.174 10.056 1.628 69 1HB ALA 14 1HB ALA 14 -4.153 10.486 4.007 70 2HB ALA 14 2HB ALA 14 -4.969 9.377 2.905 71 3HB ALA 14 3HB ALA 14 -5.578 11.019 3.116 72 H CYS 15 H CYS 15 -4.322 9.590 -0.185 73 HA CYS 15 HA CYS 15 -5.753 11.830 -1.433 74 1HB CYS 15 1HB CYS 15 -5.252 9.553 -3.182 75 2HB CYS 15 2HB CYS 15 -4.848 11.249 -3.406 76 H THR 16 H THR 16 -7.875 11.736 -1.748 77 HA THR 16 HA THR 16 -9.208 9.116 -1.681 78 HB THR 16 HB THR 16 -9.473 10.207 0.517 79 HG1 THR 16 HG1 THR 16 -11.185 8.936 -0.379 80 1HG2 THR 16 1HG2 THR 16 -10.900 12.191 0.725 81 2HG2 THR 16 2HG2 THR 16 -10.843 12.395 -1.026 82 3HG2 THR 16 3HG2 THR 16 -9.367 12.538 -0.071 83 H GLY 17 H GLY 17 -10.626 8.804 -3.296 84 1HA GLY 17 1HA GLY 17 -11.885 9.212 -5.176 85 2HA GLY 17 2HA GLY 17 -12.281 10.765 -4.437 86 H CYS 18 H CYS 18 -8.989 9.879 -5.104 87 HA CYS 18 HA CYS 18 -8.902 11.929 -7.213 88 1HB CYS 18 1HB CYS 18 -7.421 11.698 -4.864 89 2HB CYS 18 2HB CYS 18 -6.320 11.126 -6.119 90 H GLY 19 H GLY 19 -6.311 11.254 -8.147 91 1HA GLY 19 1HA GLY 19 -6.479 8.490 -9.072 92 2HA GLY 19 2HA GLY 19 -6.602 9.742 -10.306 93 H ASN 20 H ASN 20 -4.626 10.624 -7.677 94 HA ASN 20 HA ASN 20 -2.191 9.463 -8.678 95 1HB ASN 20 1HB ASN 20 -2.480 11.321 -10.253 96 2HB ASN 20 2HB ASN 20 -2.622 12.450 -8.910 97 1HD2 ASN 20 1HD2 ASN 20 -0.864 13.666 -9.012 98 2HD2 ASN 20 2HD2 ASN 20 0.760 13.082 -9.084 99 H CYS 21 H CYS 21 -0.522 9.564 -7.203 100 HA CYS 21 HA CYS 21 -0.923 11.151 -4.778 101 1HB CYS 21 1HB CYS 21 -0.414 8.169 -4.799 102 2HB CYS 21 2HB CYS 21 -0.338 9.191 -3.361 103 HA PRO 22 HA PRO 22 3.414 11.738 -5.681 104 1HB PRO 22 1HB PRO 22 3.924 13.516 -3.686 105 2HB PRO 22 2HB PRO 22 3.139 13.954 -5.203 106 1HG PRO 22 1HG PRO 22 1.957 13.533 -2.510 107 2HG PRO 22 2HG PRO 22 1.468 14.646 -3.795 108 1HD PRO 22 1HD PRO 22 0.221 12.245 -3.200 109 2HD PRO 22 2HD PRO 22 0.085 13.111 -4.740 110 H ASN 23 H ASN 23 3.065 12.079 -2.160 111 HA ASN 23 HA ASN 23 4.861 9.765 -1.846 112 1HB ASN 23 1HB ASN 23 4.675 12.048 0.116 113 2HB ASN 23 2HB ASN 23 5.928 10.810 -0.007 114 1HD2 ASN 23 1HD2 ASN 23 4.474 13.504 -1.766 115 2HD2 ASN 23 2HD2 ASN 23 5.930 14.007 -2.553 116 H ALA 24 H ALA 24 1.776 10.389 -1.665 117 HA ALA 24 HA ALA 24 0.843 9.979 0.898 118 1HB ALA 24 1HB ALA 24 -0.439 10.413 -1.298 119 2HB ALA 24 2HB ALA 24 -1.211 9.442 -0.045 120 3HB ALA 24 3HB ALA 24 -0.476 8.656 -1.442 121 H VAL 25 H VAL 25 0.754 8.322 2.279 122 HA VAL 25 HA VAL 25 2.012 5.808 1.493 123 HB VAL 25 HB VAL 25 2.799 6.883 3.550 124 1HG1 VAL 25 1HG1 VAL 25 1.224 8.008 4.686 125 2HG1 VAL 25 2HG1 VAL 25 0.946 6.463 5.489 126 3HG1 VAL 25 3HG1 VAL 25 -0.075 6.950 4.136 127 1HG2 VAL 25 1HG2 VAL 25 3.151 4.916 4.597 128 2HG2 VAL 25 2HG2 VAL 25 2.335 4.251 3.182 129 3HG2 VAL 25 3HG2 VAL 25 1.432 4.526 4.672 130 H THR 26 H THR 26 -1.103 7.118 2.195 131 HA THR 26 HA THR 26 -2.324 4.558 1.605 132 HB THR 26 HB THR 26 -3.619 5.766 3.931 133 HG1 THR 26 HG1 THR 26 -2.039 5.121 5.404 134 1HG2 THR 26 1HG2 THR 26 -3.592 3.485 4.776 135 2HG2 THR 26 2HG2 THR 26 -2.575 2.992 3.423 136 3HG2 THR 26 3HG2 THR 26 -4.219 3.558 3.130 137 H CYS 27 H CYS 27 -4.175 4.782 0.494 138 HA CYS 27 HA CYS 27 -5.601 7.335 0.582 139 1HB CYS 27 1HB CYS 27 -5.787 6.771 -2.082 140 2HB CYS 27 2HB CYS 27 -4.657 7.930 -1.386 141 H THR 28 H THR 28 -7.784 7.201 0.171 142 HA THR 28 HA THR 28 -8.872 4.481 0.164 143 HB THR 28 HB THR 28 -10.701 6.781 0.494 144 HG1 THR 28 HG1 THR 28 -8.601 6.240 2.301 145 1HG2 THR 28 1HG2 THR 28 -11.866 5.423 1.870 146 2HG2 THR 28 2HG2 THR 28 -10.419 4.659 2.530 147 3HG2 THR 28 3HG2 THR 28 -11.021 4.186 0.940 148 H ASN 29 H ASN 29 -9.252 3.738 -1.837 149 HA ASN 29 HA ASN 29 -10.310 3.496 -3.809 150 1HB ASN 29 1HB ASN 29 -11.774 5.575 -2.650 151 2HB ASN 29 2HB ASN 29 -11.280 6.212 -4.216 152 1HD2 ASN 29 1HD2 ASN 29 -12.485 5.714 -5.901 153 2HD2 ASN 29 2HD2 ASN 29 -13.648 4.438 -5.970 154 H SER 30 H SER 30 -10.476 5.595 -5.753 155 HA SER 30 HA SER 30 -9.242 6.878 -7.222 156 1HB SER 30 1HB SER 30 -7.864 7.638 -5.249 157 2HB SER 30 2HB SER 30 -6.798 6.268 -5.546 158 HG SER 30 HG SER 30 -5.950 7.279 -7.182 159 H GLN 31 H GLN 31 -7.419 6.526 -8.825 160 HA GLN 31 HA GLN 31 -6.991 3.645 -9.250 161 1HB GLN 31 1HB GLN 31 -7.086 4.424 -11.780 162 2HB GLN 31 2HB GLN 31 -8.543 3.976 -10.898 163 1HG GLN 31 1HG GLN 31 -9.237 5.915 -11.853 164 2HG GLN 31 2HG GLN 31 -8.586 6.553 -10.347 165 1HE2 GLN 31 1HE2 GLN 31 -7.167 5.527 -13.435 166 2HE2 GLN 31 2HE2 GLN 31 -6.285 6.986 -13.711 167 H HIS 32 H HIS 32 -4.975 4.624 -8.038 168 HA HIS 32 HA HIS 32 -2.771 4.334 -9.635 169 1HB HIS 32 1HB HIS 32 -3.937 6.896 -10.064 170 2HB HIS 32 2HB HIS 32 -2.407 7.140 -9.217 171 HD1 HIS 32 HD1 HIS 32 -0.487 5.312 -10.440 172 HD2 HIS 32 HD2 HIS 32 -3.478 7.093 -12.709 173 HE1 HIS 32 HE1 HIS 32 0.327 5.220 -12.817 174 HE2 HIS 32 HE2 HIS 32 -1.544 6.211 -14.181 175 H CYS 33 H CYS 33 -3.447 3.531 -7.139 176 HA CYS 33 HA CYS 33 -1.664 5.062 -5.362 177 1HB CYS 33 1HB CYS 33 -4.100 3.385 -4.835 178 2HB CYS 33 2HB CYS 33 -2.900 3.629 -3.563 179 H VAL 34 H VAL 34 -0.499 3.396 -7.214 180 HA VAL 34 HA VAL 34 -0.058 0.759 -6.370 181 HB VAL 34 HB VAL 34 2.090 0.960 -7.723 182 1HG1 VAL 34 1HG1 VAL 34 0.819 1.157 -9.880 183 2HG1 VAL 34 2HG1 VAL 34 -0.601 1.581 -8.924 184 3HG1 VAL 34 3HG1 VAL 34 0.157 0.001 -8.724 185 1HG2 VAL 34 1HG2 VAL 34 1.820 3.617 -7.342 186 2HG2 VAL 34 2HG2 VAL 34 1.070 3.447 -8.929 187 3HG2 VAL 34 3HG2 VAL 34 2.728 2.904 -8.674 188 H LYS 35 H LYS 35 1.268 3.766 -5.270 189 HA LYS 35 HA LYS 35 3.424 2.427 -3.829 190 1HB LYS 35 1HB LYS 35 3.878 4.529 -5.058 191 2HB LYS 35 2HB LYS 35 2.746 5.367 -4.005 192 1HG LYS 35 1HG LYS 35 4.146 4.953 -2.092 193 2HG LYS 35 2HG LYS 35 5.244 3.972 -3.066 194 1HD LYS 35 1HD LYS 35 6.070 5.812 -4.214 195 2HD LYS 35 2HD LYS 35 4.664 6.806 -3.830 196 1HE LYS 35 1HE LYS 35 6.923 6.000 -2.014 197 2HE LYS 35 2HE LYS 35 6.456 7.625 -2.511 198 1HZ LYS 35 1HZ LYS 35 5.556 7.503 -0.423 199 2HZ LYS 35 2HZ LYS 35 5.195 5.853 -0.536 200 3HZ LYS 35 3HZ LYS 35 4.237 6.986 -1.349 201 H ALA 36 H ALA 36 0.221 3.097 -3.275 202 HA ALA 36 HA ALA 36 0.416 3.947 -0.533 203 1HB ALA 36 1HB ALA 36 -1.844 4.206 -0.593 204 2HB ALA 36 2HB ALA 36 -2.094 2.772 -1.590 205 3HB ALA 36 3HB ALA 36 -1.508 4.265 -2.323 206 H ASN 37 H ASN 37 -0.121 2.744 1.307 207 HA ASN 37 HA ASN 37 0.598 -0.050 1.146 208 1HB ASN 37 1HB ASN 37 0.228 1.947 3.321 209 2HB ASN 37 2HB ASN 37 0.013 0.250 3.739 210 1HD2 ASN 37 1HD2 ASN 37 1.776 -0.456 4.689 211 2HD2 ASN 37 2HD2 ASN 37 3.399 -0.153 4.180 212 H THR 38 H THR 38 -2.268 1.873 1.800 213 HA THR 38 HA THR 38 -3.875 -0.583 1.630 214 HB THR 38 HB THR 38 -4.757 1.657 3.412 215 HG1 THR 38 HG1 THR 38 -2.672 1.122 4.134 216 1HG2 THR 38 1HG2 THR 38 -5.156 -1.320 3.573 217 2HG2 THR 38 2HG2 THR 38 -6.327 -0.153 2.959 218 3HG2 THR 38 3HG2 THR 38 -5.846 -0.112 4.656 219 H CYS 39 H CYS 39 -5.584 -0.462 0.283 220 HA CYS 39 HA CYS 39 -6.624 2.146 -0.500 221 1HB CYS 39 1HB CYS 39 -6.526 1.135 -2.963 222 2HB CYS 39 2HB CYS 39 -5.201 2.087 -2.291 223 H THR 40 H THR 40 -8.715 1.950 -0.079 224 HA THR 40 HA THR 40 -10.071 -0.592 -0.640 225 HB THR 40 HB THR 40 -11.215 1.777 0.839 226 HG1 THR 40 HG1 THR 40 -9.775 -0.422 1.902 227 1HG2 THR 40 1HG2 THR 40 -12.880 0.429 1.574 228 2HG2 THR 40 2HG2 THR 40 -11.898 -1.032 1.474 229 3HG2 THR 40 3HG2 THR 40 -12.578 -0.324 0.008 230 H GLY 41 H GLY 41 -10.790 -0.662 -2.687 231 1HA GLY 41 1HA GLY 41 -12.298 -0.129 -4.397 232 2HA GLY 41 2HA GLY 41 -12.660 1.379 -3.566 233 H SER 42 H SER 42 -9.446 0.223 -4.445 234 HA SER 42 HA SER 42 -9.338 2.436 -6.380 235 1HB SER 42 1HB SER 42 -6.827 1.729 -4.947 236 2HB SER 42 2HB SER 42 -7.417 3.305 -5.466 237 HG SER 42 HG SER 42 -8.363 1.816 -3.241 238 H THR 43 H THR 43 -8.590 1.926 -8.297 239 HA THR 43 HA THR 43 -7.580 -0.779 -8.656 240 HB THR 43 HB THR 43 -8.611 -0.912 -10.588 241 HG1 THR 43 HG1 THR 43 -8.782 0.705 -12.097 242 1HG2 THR 43 1HG2 THR 43 -10.621 -0.531 -9.736 243 2HG2 THR 43 2HG2 THR 43 -10.544 1.025 -10.562 244 3HG2 THR 43 3HG2 THR 43 -10.072 0.903 -8.862 245 H ASP 44 H ASP 44 -5.625 -0.398 -8.031 246 HA ASP 44 HA ASP 44 -3.535 -0.301 -9.676 247 1HB ASP 44 1HB ASP 44 -4.576 2.439 -9.396 248 2HB ASP 44 2HB ASP 44 -2.840 2.289 -9.143 249 H CYS 45 H CYS 45 -3.193 -1.670 -7.714 250 HA CYS 45 HA CYS 45 -1.619 -0.181 -5.729 251 1HB CYS 45 1HB CYS 45 -3.603 -2.367 -5.062 252 2HB CYS 45 2HB CYS 45 -2.525 -1.567 -3.917 253 H ASN 46 H ASN 46 0.382 -0.924 -5.750 254 HA ASN 46 HA ASN 46 0.827 -3.767 -6.376 255 1HB ASN 46 1HB ASN 46 1.724 -2.414 -8.159 256 2HB ASN 46 2HB ASN 46 2.548 -1.357 -7.008 257 1HD2 ASN 46 1HD2 ASN 46 4.525 -1.904 -6.282 258 2HD2 ASN 46 2HD2 ASN 46 5.378 -3.331 -6.751 259 H THR 47 H THR 47 1.746 -1.026 -4.382 260 HA THR 47 HA THR 47 3.509 -2.684 -2.761 261 HB THR 47 HB THR 47 4.021 -0.590 -1.568 262 HG1 THR 47 HG1 THR 47 2.659 0.977 -1.677 263 1HG2 THR 47 1HG2 THR 47 5.487 0.064 -3.098 264 2HG2 THR 47 2HG2 THR 47 4.222 0.499 -4.247 265 3HG2 THR 47 3HG2 THR 47 4.783 -1.170 -4.141 266 H ALA 48 H ALA 48 0.268 -1.520 -2.776 267 HA ALA 48 HA ALA 48 -0.285 -1.397 -0.038 268 1HB ALA 48 1HB ALA 48 -2.550 -1.399 -0.614 269 2HB ALA 48 2HB ALA 48 -2.276 -2.380 -2.056 270 3HB ALA 48 3HB ALA 48 -1.745 -0.698 -2.019 271 H GLN 49 H GLN 49 -1.077 -2.869 1.448 272 HA GLN 49 HA GLN 49 -0.335 -5.640 0.956 273 1HB GLN 49 1HB GLN 49 -1.323 -4.319 3.489 274 2HB GLN 49 2HB GLN 49 -0.650 -5.939 3.361 275 1HG GLN 49 1HG GLN 49 1.454 -5.197 3.388 276 2HG GLN 49 2HG GLN 49 1.097 -3.854 2.304 277 1HE2 GLN 49 1HE2 GLN 49 2.344 -4.434 5.165 278 2HE2 GLN 49 2HE2 GLN 49 1.810 -3.056 6.059 279 H THR 50 H THR 50 -2.969 -4.003 0.193 280 HA THR 50 HA THR 50 -4.629 -6.246 -0.036 281 HB THR 50 HB THR 50 -4.750 -5.796 2.450 282 HG1 THR 50 HG1 THR 50 -7.258 -5.515 1.189 283 1HG2 THR 50 1HG2 THR 50 -6.180 -4.061 3.259 284 2HG2 THR 50 2HG2 THR 50 -6.450 -3.469 1.620 285 3HG2 THR 50 3HG2 THR 50 -4.849 -3.343 2.351 286 H CYS 51 H CYS 51 -6.908 -5.566 -0.731 287 HA CYS 51 HA CYS 51 -7.386 -2.900 -1.541 288 1HB CYS 51 1HB CYS 51 -7.159 -3.215 -3.993 289 2HB CYS 51 2HB CYS 51 -5.613 -3.293 -3.141 290 H THR 52 H THR 52 -9.475 -2.609 -2.060 291 HA THR 52 HA THR 52 -11.105 -5.003 -2.600 292 HB THR 52 HB THR 52 -11.356 -2.951 -0.535 293 HG1 THR 52 HG1 THR 52 -12.236 -4.593 0.500 294 1HG2 THR 52 1HG2 THR 52 -13.083 -2.036 -2.001 295 2HG2 THR 52 2HG2 THR 52 -13.766 -2.755 -0.541 296 3HG2 THR 52 3HG2 THR 52 -13.854 -3.621 -2.074 297 H ASN 53 H ASN 53 -12.621 -4.850 -4.231 298 HA ASN 53 HA ASN 53 -13.461 -4.118 -6.226 299 1HB ASN 53 1HB ASN 53 -14.307 -2.382 -4.266 300 2HB ASN 53 2HB ASN 53 -13.602 -1.285 -5.456 301 1HD2 ASN 53 1HD2 ASN 53 -15.102 -0.486 -6.719 302 2HD2 ASN 53 2HD2 ASN 53 -16.456 -1.340 -7.368 303 H SER 54 H SER 54 -10.555 -3.982 -5.737 304 HA SER 54 HA SER 54 -9.674 -1.729 -7.382 305 1HB SER 54 1HB SER 54 -7.404 -2.514 -6.751 306 2HB SER 54 2HB SER 54 -8.420 -2.209 -5.336 307 HG SER 54 HG SER 54 -8.622 -4.349 -5.003 308 H LYS 55 H LYS 55 -7.550 -2.625 -8.695 309 HA LYS 55 HA LYS 55 -8.234 -5.045 -10.179 310 1HB LYS 55 1HB LYS 55 -7.800 -2.359 -11.492 311 2HB LYS 55 2HB LYS 55 -8.039 -3.886 -12.336 312 1HG LYS 55 1HG LYS 55 -10.105 -2.766 -10.468 313 2HG LYS 55 2HG LYS 55 -10.028 -2.308 -12.168 314 1HD LYS 55 1HD LYS 55 -10.023 -4.868 -12.594 315 2HD LYS 55 2HD LYS 55 -10.662 -4.966 -10.952 316 1HE LYS 55 1HE LYS 55 -11.883 -3.156 -13.009 317 2HE LYS 55 2HE LYS 55 -12.333 -4.858 -12.899 318 1HZ LYS 55 1HZ LYS 55 -12.379 -3.380 -10.402 319 2HZ LYS 55 2HZ LYS 55 -13.470 -4.522 -11.005 320 3HZ LYS 55 3HZ LYS 55 -13.544 -2.919 -11.538 321 H ASP 56 H ASP 56 -6.036 -3.727 -8.413 322 HA ASP 56 HA ASP 56 -3.844 -4.886 -9.862 323 1HB ASP 56 1HB ASP 56 -4.123 -1.962 -9.448 324 2HB ASP 56 2HB ASP 56 -2.524 -2.660 -9.179 325 H CYS 57 H CYS 57 -3.057 -6.209 -8.402 326 HA CYS 57 HA CYS 57 -2.203 -5.225 -5.832 327 1HB CYS 57 1HB CYS 57 -4.681 -6.679 -6.090 328 2HB CYS 57 2HB CYS 57 -3.534 -7.591 -5.106 329 H PHE 58 H PHE 58 -0.137 -5.757 -6.244 330 HA PHE 58 HA PHE 58 0.481 -8.489 -7.089 331 1HB PHE 58 1HB PHE 58 2.205 -6.009 -6.965 332 2HB PHE 58 2HB PHE 58 2.766 -7.590 -7.499 333 HD1 PHE 58 HD1 PHE 58 -0.184 -5.431 -8.196 334 HD2 PHE 58 HD2 PHE 58 3.065 -7.729 -9.697 335 HE1 PHE 58 HE1 PHE 58 -0.865 -4.888 -10.489 336 HE2 PHE 58 HE2 PHE 58 2.392 -7.185 -11.992 337 HZ PHE 58 HZ PHE 58 0.444 -5.766 -12.355 338 H GLU 59 H GLU 59 0.529 -6.476 -4.313 339 HA GLU 59 HA GLU 59 1.888 -8.600 -2.824 340 1HB GLU 59 1HB GLU 59 3.525 -6.779 -3.374 341 2HB GLU 59 2HB GLU 59 2.525 -5.671 -2.435 342 1HG GLU 59 1HG GLU 59 3.006 -7.898 -0.790 343 2HG GLU 59 2HG GLU 59 4.544 -7.492 -1.547 344 H ALA 60 H ALA 60 -0.747 -8.522 -2.744 345 HA ALA 60 HA ALA 60 -1.436 -7.039 -0.294 346 1HB ALA 60 1HB ALA 60 -3.849 -7.637 -1.169 347 2HB ALA 60 2HB ALA 60 -3.009 -7.717 -2.719 348 3HB ALA 60 3HB ALA 60 -2.971 -6.230 -1.772 349 H ASN 61 H ASN 61 -2.965 -8.081 1.163 350 HA ASN 61 HA ASN 61 -2.536 -10.993 1.241 351 1HB ASN 61 1HB ASN 61 -1.478 -9.823 3.100 352 2HB ASN 61 2HB ASN 61 -3.010 -9.067 3.523 353 1HD2 ASN 61 1HD2 ASN 61 -4.752 -10.482 4.198 354 2HD2 ASN 61 2HD2 ASN 61 -4.373 -11.947 5.032 355 H THR 62 H THR 62 -4.939 -8.430 1.491 356 HA THR 62 HA THR 62 -7.012 -10.531 1.574 357 HB THR 62 HB THR 62 -7.154 -7.744 2.739 358 HG1 THR 62 HG1 THR 62 -7.316 -8.915 4.705 359 1HG2 THR 62 1HG2 THR 62 -9.272 -9.419 1.916 360 2HG2 THR 62 2HG2 THR 62 -9.351 -7.904 2.815 361 3HG2 THR 62 3HG2 THR 62 -9.222 -9.436 3.678 362 H CYS 63 H CYS 63 -7.639 -10.751 -0.478 363 HA CYS 63 HA CYS 63 -8.221 -8.318 -2.030 364 1HB CYS 63 1HB CYS 63 -7.406 -11.099 -2.835 365 2HB CYS 63 2HB CYS 63 -8.214 -10.027 -3.982 366 H THR 64 H THR 64 -10.308 -7.836 -1.609 367 HA THR 64 HA THR 64 -12.294 -9.987 -1.936 368 HB THR 64 HB THR 64 -13.738 -8.106 -0.705 369 HG1 THR 64 HG1 THR 64 -12.414 -7.096 0.864 370 1HG2 THR 64 1HG2 THR 64 -12.279 -9.252 1.421 371 2HG2 THR 64 2HG2 THR 64 -12.409 -10.463 0.144 372 3HG2 THR 64 3HG2 THR 64 -13.865 -9.712 0.800 373 H ASP 65 H ASP 65 -13.256 -9.918 -3.847 374 HA ASP 65 HA ASP 65 -14.303 -9.164 -5.718 375 1HB ASP 65 1HB ASP 65 -14.662 -6.583 -4.176 376 2HB ASP 65 2HB ASP 65 -15.587 -7.105 -5.588 377 H SER 66 H SER 66 -11.624 -9.119 -5.907 378 HA SER 66 HA SER 66 -11.136 -6.708 -7.513 379 1HB SER 66 1HB SER 66 -8.953 -7.965 -5.853 380 2HB SER 66 2HB SER 66 -8.961 -6.384 -6.645 381 HG SER 66 HG SER 66 -9.325 -6.279 -4.361 382 H THR 67 H THR 67 -8.975 -7.105 -8.813 383 HA THR 67 HA THR 67 -8.821 -9.884 -9.727 384 HB THR 67 HB THR 67 -10.410 -8.887 -11.232 385 HG1 THR 67 HG1 THR 67 -9.334 -9.221 -13.144 386 1HG2 THR 67 1HG2 THR 67 -8.517 -6.839 -12.220 387 2HG2 THR 67 2HG2 THR 67 -9.432 -6.497 -10.752 388 3HG2 THR 67 3HG2 THR 67 -10.279 -6.869 -12.253 389 H ASN 68 H ASN 68 -6.895 -10.316 -11.058 390 HA ASN 68 HA ASN 68 -4.649 -10.189 -11.445 391 1HB ASN 68 1HB ASN 68 -4.702 -7.211 -11.058 392 2HB ASN 68 2HB ASN 68 -3.752 -8.172 -12.195 393 1HD2 ASN 68 1HD2 ASN 68 -5.829 -9.748 -13.232 394 2HD2 ASN 68 2HD2 ASN 68 -6.859 -8.732 -14.175 395 H CYS 69 H CYS 69 -5.539 -10.617 -8.777 396 HA CYS 69 HA CYS 69 -3.822 -9.042 -7.061 397 1HB CYS 69 1HB CYS 69 -5.940 -11.086 -6.657 398 2HB CYS 69 2HB CYS 69 -4.709 -10.943 -5.396 399 H TYR 70 H TYR 70 -1.930 -9.768 -8.381 400 HA TYR 70 HA TYR 70 -0.966 -12.392 -8.346 401 1HB TYR 70 1HB TYR 70 0.470 -9.746 -8.589 402 2HB TYR 70 2HB TYR 70 1.272 -11.306 -8.782 403 HD1 TYR 70 HD1 TYR 70 0.348 -8.729 -10.652 404 HD2 TYR 70 HD2 TYR 70 -0.566 -12.873 -10.357 405 HE1 TYR 70 HE1 TYR 70 -0.285 -8.752 -13.029 406 HE2 TYR 70 HE2 TYR 70 -1.202 -12.909 -12.733 407 HH TYR 70 HH TYR 70 -0.494 -11.363 -14.849 408 H LYS 71 H LYS 71 -1.165 -13.274 -6.323 409 HA LYS 71 HA LYS 71 0.016 -14.105 -4.492 410 1HB LYS 71 1HB LYS 71 1.957 -12.569 -5.238 411 2HB LYS 71 2HB LYS 71 1.322 -11.437 -4.044 412 1HG LYS 71 1HG LYS 71 1.446 -13.654 -2.539 413 2HG LYS 71 2HG LYS 71 2.757 -13.986 -3.673 414 1HD LYS 71 1HD LYS 71 4.052 -12.304 -2.877 415 2HD LYS 71 2HD LYS 71 2.670 -11.261 -2.533 416 1HE LYS 71 1HE LYS 71 3.665 -13.587 -0.895 417 2HE LYS 71 2HE LYS 71 3.686 -11.880 -0.453 418 1HZ LYS 71 1HZ LYS 71 1.505 -13.792 -0.364 419 2HZ LYS 71 2HZ LYS 71 1.091 -12.249 -0.919 420 3HZ LYS 71 3HZ LYS 71 1.798 -12.436 0.606 421 H ALA 72 H ALA 72 -2.295 -13.940 -3.905 422 HA ALA 72 HA ALA 72 -2.579 -12.186 -1.566 423 1HB ALA 72 1HB ALA 72 -5.152 -12.322 -2.437 424 2HB ALA 72 2HB ALA 72 -4.271 -12.229 -3.962 425 3HB ALA 72 3HB ALA 72 -4.058 -10.972 -2.743 426 H THR 73 H THR 73 -3.168 -13.285 0.216 427 HA THR 73 HA THR 73 -3.643 -16.106 0.033 428 HB THR 73 HB THR 73 -2.362 -14.908 1.876 429 HG1 THR 73 HG1 THR 73 -4.373 -16.813 2.404 430 1HG2 THR 73 1HG2 THR 73 -3.348 -13.464 3.218 431 2HG2 THR 73 2HG2 THR 73 -4.520 -14.691 3.697 432 3HG2 THR 73 3HG2 THR 73 -4.851 -13.647 2.315 433 H ALA 74 H ALA 74 -5.647 -13.296 0.305 434 HA ALA 74 HA ALA 74 -8.002 -15.037 0.652 435 1HB ALA 74 1HB ALA 74 -7.285 -13.100 2.373 436 2HB ALA 74 2HB ALA 74 -8.959 -13.576 2.083 437 3HB ALA 74 3HB ALA 74 -8.289 -12.166 1.264 438 H CYS 75 H CYS 75 -8.689 -15.368 -1.395 439 HA CYS 75 HA CYS 75 -9.374 -12.977 -2.957 440 1HB CYS 75 1HB CYS 75 -7.591 -15.185 -3.711 441 2HB CYS 75 2HB CYS 75 -8.828 -14.821 -4.916 442 H THR 76 H THR 76 -11.514 -12.936 -2.999 443 HA THR 76 HA THR 76 -12.975 -15.467 -3.345 444 HB THR 76 HB THR 76 -13.522 -14.223 -1.295 445 HG1 THR 76 HG1 THR 76 -15.656 -14.062 -3.149 446 1HG2 THR 76 1HG2 THR 76 -14.070 -12.065 -1.166 447 2HG2 THR 76 2HG2 THR 76 -14.993 -12.102 -2.669 448 3HG2 THR 76 3HG2 THR 76 -13.238 -11.937 -2.716 449 H ASN 77 H ASN 77 -13.319 -15.780 -5.458 450 HA ASN 77 HA ASN 77 -14.041 -15.467 -7.593 451 1HB ASN 77 1HB ASN 77 -15.708 -13.425 -6.130 452 2HB ASN 77 2HB ASN 77 -15.859 -13.675 -7.872 453 1HD2 ASN 77 1HD2 ASN 77 -16.691 -14.791 -4.771 454 2HD2 ASN 77 2HD2 ASN 77 -17.578 -16.193 -5.254 455 H SER 78 H SER 78 -11.649 -14.109 -6.694 456 HA SER 78 HA SER 78 -11.672 -11.622 -8.240 457 1HB SER 78 1HB SER 78 -9.650 -12.799 -6.320 458 2HB SER 78 2HB SER 78 -9.372 -11.320 -7.249 459 HG SER 78 HG SER 78 -10.247 -10.508 -5.479 460 H SER 79 H SER 79 -10.253 -11.254 -9.962 461 HA SER 79 HA SER 79 -9.416 -13.672 -11.340 462 1HB SER 79 1HB SER 79 -8.777 -11.367 -12.871 463 2HB SER 79 2HB SER 79 -10.057 -12.544 -13.158 464 HG SER 79 HG SER 79 -10.902 -10.444 -12.933 465 H GLY 80 H GLY 80 -7.310 -13.599 -12.553 466 1HA GLY 80 1HA GLY 80 -5.021 -13.657 -12.406 467 2HA GLY 80 2HA GLY 80 -5.166 -11.984 -11.887 468 H CYS 81 H CYS 81 -6.666 -14.439 -9.963 469 HA CYS 81 HA CYS 81 -4.413 -14.826 -8.216 470 1HB CYS 81 1HB CYS 81 -4.992 -12.664 -7.410 471 2HB CYS 81 2HB CYS 81 -6.714 -13.043 -7.427 472 HA PRO 82 HA PRO 82 -6.635 -18.585 -7.480 473 1HB PRO 82 1HB PRO 82 -5.396 -18.585 -4.791 474 2HB PRO 82 2HB PRO 82 -5.282 -19.789 -6.084 475 1HG PRO 82 1HG PRO 82 -3.222 -18.185 -5.488 476 2HG PRO 82 2HG PRO 82 -3.572 -18.665 -7.159 477 1HD PRO 82 1HD PRO 82 -4.137 -16.080 -5.768 478 2HD PRO 82 2HD PRO 82 -3.592 -16.371 -7.433 479 H GLY 83 H GLY 83 -7.392 -19.500 -4.909 480 1HA GLY 83 1HA GLY 83 -9.110 -17.425 -3.791 481 2HA GLY 83 2HA GLY 83 -9.921 -18.787 -4.548 482 H HIS 84 H HIS 84 -6.897 -19.191 -2.865 483 HA HIS 84 HA HIS 84 -6.329 -20.370 -1.005 484 1HB HIS 84 1HB HIS 84 -7.731 -18.479 0.004 485 2HB HIS 84 2HB HIS 84 -9.032 -19.659 0.125 486 HD1 HIS 84 HD1 HIS 84 -5.484 -20.646 0.805 487 HD2 HIS 84 HD2 HIS 84 -8.936 -19.700 2.915 488 HE1 HIS 84 HE1 HIS 84 -5.018 -21.303 3.187 489 HE2 HIS 84 HE2 HIS 84 -7.157 -20.816 4.424 Start of MODEL 15 1 1H GLN 1 1H GLN 1 -10.582 22.161 -1.882 2 2H GLN 1 2H GLN 1 -12.078 22.236 -2.719 3 3H GLN 1 3H GLN 1 -10.670 21.673 -3.523 4 HA GLN 1 HA GLN 1 -11.822 20.363 -1.158 5 1HB GLN 1 1HB GLN 1 -12.889 18.814 -2.716 6 2HB GLN 1 2HB GLN 1 -13.466 20.453 -2.988 7 1HG GLN 1 1HG GLN 1 -11.201 19.375 -4.606 8 2HG GLN 1 2HG GLN 1 -12.863 18.943 -5.003 9 1HE2 GLN 1 1HE2 GLN 1 -10.566 20.819 -6.040 10 2HE2 GLN 1 2HE2 GLN 1 -11.439 22.234 -6.510 11 H CYS 2 H CYS 2 -10.855 18.394 -0.691 12 HA CYS 2 HA CYS 2 -8.225 18.004 -1.922 13 1HB CYS 2 1HB CYS 2 -8.438 18.256 0.572 14 2HB CYS 2 2HB CYS 2 -9.311 16.727 0.593 15 H THR 3 H THR 3 -10.520 17.200 -3.377 16 HA THR 3 HA THR 3 -9.933 14.348 -3.627 17 HB THR 3 HB THR 3 -12.407 13.906 -3.935 18 HG1 THR 3 HG1 THR 3 -13.818 15.415 -3.063 19 1HG2 THR 3 1HG2 THR 3 -12.277 14.839 -1.167 20 2HG2 THR 3 2HG2 THR 3 -10.948 13.788 -1.657 21 3HG2 THR 3 3HG2 THR 3 -12.615 13.235 -1.816 22 H GLY 4 H GLY 4 -11.769 17.089 -4.963 23 1HA GLY 4 1HA GLY 4 -12.063 16.076 -7.563 24 2HA GLY 4 2HA GLY 4 -12.097 17.783 -7.126 25 H GLY 5 H GLY 5 -11.084 17.891 -9.328 26 1HA GLY 5 1HA GLY 5 -9.182 18.632 -10.427 27 2HA GLY 5 2HA GLY 5 -8.239 18.226 -9.000 28 H ALA 6 H ALA 6 -6.771 17.539 -10.841 29 HA ALA 6 HA ALA 6 -7.379 14.753 -11.596 30 1HB ALA 6 1HB ALA 6 -7.060 16.700 -13.376 31 2HB ALA 6 2HB ALA 6 -6.504 15.053 -13.674 32 3HB ALA 6 3HB ALA 6 -5.363 16.285 -13.138 33 H ASP 7 H ASP 7 -4.602 16.940 -11.104 34 HA ASP 7 HA ASP 7 -3.077 14.660 -10.055 35 1HB ASP 7 1HB ASP 7 -2.143 16.045 -11.957 36 2HB ASP 7 2HB ASP 7 -2.002 17.382 -10.811 37 H CYS 8 H CYS 8 -3.027 14.455 -7.925 38 HA CYS 8 HA CYS 8 -3.758 16.619 -6.184 39 1HB CYS 8 1HB CYS 8 -3.102 13.728 -5.854 40 2HB CYS 8 2HB CYS 8 -2.966 14.776 -4.438 41 H THR 9 H THR 9 -2.243 18.220 -6.247 42 HA THR 9 HA THR 9 0.488 17.492 -5.410 43 HB THR 9 HB THR 9 -0.005 20.140 -6.650 44 HG1 THR 9 HG1 THR 9 -0.107 17.708 -8.097 45 1HG2 THR 9 1HG2 THR 9 2.085 18.324 -7.643 46 2HG2 THR 9 2HG2 THR 9 2.247 18.862 -5.972 47 3HG2 THR 9 3HG2 THR 9 2.150 20.048 -7.274 48 H SER 10 H SER 10 -2.346 19.243 -4.596 49 HA SER 10 HA SER 10 -1.030 21.082 -2.802 50 1HB SER 10 1HB SER 10 -3.591 21.360 -2.111 51 2HB SER 10 2HB SER 10 -2.937 22.096 -3.574 52 HG SER 10 HG SER 10 -3.866 20.537 -4.788 53 H CYS 11 H CYS 11 -3.165 18.254 -2.473 54 HA CYS 11 HA CYS 11 -2.964 18.228 0.385 55 1HB CYS 11 1HB CYS 11 -3.999 16.154 -1.557 56 2HB CYS 11 2HB CYS 11 -4.136 16.037 0.194 57 H THR 12 H THR 12 -2.268 16.128 1.498 58 HA THR 12 HA THR 12 0.048 14.886 0.221 59 HB THR 12 HB THR 12 1.503 15.312 2.110 60 HG1 THR 12 HG1 THR 12 0.482 15.599 3.921 61 1HG2 THR 12 1HG2 THR 12 2.123 17.378 1.532 62 2HG2 THR 12 2HG2 THR 12 0.525 18.057 1.840 63 3HG2 THR 12 3HG2 THR 12 0.852 17.228 0.319 64 H GLY 13 H GLY 13 -2.158 14.995 2.987 65 1HA GLY 13 1HA GLY 13 -1.487 12.518 4.113 66 2HA GLY 13 2HA GLY 13 -3.031 13.331 4.300 67 H ALA 14 H ALA 14 -4.249 11.456 4.170 68 HA ALA 14 HA ALA 14 -3.956 9.557 2.069 69 1HB ALA 14 1HB ALA 14 -6.288 8.843 2.885 70 2HB ALA 14 2HB ALA 14 -6.058 10.052 4.148 71 3HB ALA 14 3HB ALA 14 -4.933 8.702 4.005 72 H CYS 15 H CYS 15 -4.975 9.383 0.137 73 HA CYS 15 HA CYS 15 -6.372 11.744 -0.824 74 1HB CYS 15 1HB CYS 15 -5.727 9.279 -2.433 75 2HB CYS 15 2HB CYS 15 -6.001 10.916 -3.014 76 H THR 16 H THR 16 -8.395 11.676 -1.881 77 HA THR 16 HA THR 16 -10.033 9.285 -1.461 78 HB THR 16 HB THR 16 -11.121 12.006 -0.778 79 HG1 THR 16 HG1 THR 16 -9.959 10.169 1.042 80 1HG2 THR 16 1HG2 THR 16 -12.274 10.112 0.853 81 2HG2 THR 16 2HG2 THR 16 -12.131 9.295 -0.702 82 3HG2 THR 16 3HG2 THR 16 -12.991 10.830 -0.589 83 H GLY 17 H GLY 17 -10.081 8.903 -3.661 84 1HA GLY 17 1HA GLY 17 -11.236 9.034 -5.684 85 2HA GLY 17 2HA GLY 17 -11.912 10.580 -5.165 86 H CYS 18 H CYS 18 -8.506 9.762 -5.159 87 HA CYS 18 HA CYS 18 -8.062 11.587 -7.423 88 1HB CYS 18 1HB CYS 18 -7.613 12.599 -5.110 89 2HB CYS 18 2HB CYS 18 -6.250 11.480 -5.013 90 H GLY 19 H GLY 19 -7.124 10.482 -9.007 91 1HA GLY 19 1HA GLY 19 -6.092 7.930 -8.875 92 2HA GLY 19 2HA GLY 19 -5.668 9.096 -10.125 93 H ASN 20 H ASN 20 -3.852 10.543 -9.686 94 HA ASN 20 HA ASN 20 -1.708 9.091 -8.411 95 1HB ASN 20 1HB ASN 20 -1.597 11.798 -9.749 96 2HB ASN 20 2HB ASN 20 -0.241 10.732 -9.397 97 1HD2 ASN 20 1HD2 ASN 20 0.319 9.228 -10.843 98 2HD2 ASN 20 2HD2 ASN 20 -0.541 8.891 -12.303 99 H CYS 21 H CYS 21 -0.556 9.667 -6.628 100 HA CYS 21 HA CYS 21 -1.499 12.011 -5.114 101 1HB CYS 21 1HB CYS 21 -0.839 9.257 -4.048 102 2HB CYS 21 2HB CYS 21 -1.103 10.674 -3.031 103 HA PRO 22 HA PRO 22 2.759 13.067 -4.739 104 1HB PRO 22 1HB PRO 22 2.814 14.421 -2.394 105 2HB PRO 22 2HB PRO 22 2.056 15.061 -3.854 106 1HG PRO 22 1HG PRO 22 0.801 13.840 -1.447 107 2HG PRO 22 2HG PRO 22 0.223 15.163 -2.469 108 1HD PRO 22 1HD PRO 22 -0.669 12.546 -2.597 109 2HD PRO 22 2HD PRO 22 -0.830 13.741 -3.896 110 H ASN 23 H ASN 23 2.387 12.846 -1.254 111 HA ASN 23 HA ASN 23 4.137 10.478 -1.266 112 1HB ASN 23 1HB ASN 23 4.184 12.485 0.968 113 2HB ASN 23 2HB ASN 23 5.429 11.330 0.482 114 1HD2 ASN 23 1HD2 ASN 23 3.707 14.206 -0.635 115 2HD2 ASN 23 2HD2 ASN 23 5.041 14.889 -1.494 116 H ALA 24 H ALA 24 1.116 11.024 -0.929 117 HA ALA 24 HA ALA 24 0.251 10.526 1.641 118 1HB ALA 24 1HB ALA 24 -1.804 9.803 0.700 119 2HB ALA 24 2HB ALA 24 -1.024 9.328 -0.809 120 3HB ALA 24 3HB ALA 24 -1.156 11.035 -0.384 121 H VAL 25 H VAL 25 0.178 8.808 2.973 122 HA VAL 25 HA VAL 25 1.657 6.439 2.225 123 HB VAL 25 HB VAL 25 1.973 7.421 4.452 124 1HG1 VAL 25 1HG1 VAL 25 0.203 7.194 6.155 125 2HG1 VAL 25 2HG1 VAL 25 -0.910 6.659 4.897 126 3HG1 VAL 25 3HG1 VAL 25 -0.246 8.292 4.850 127 1HG2 VAL 25 1HG2 VAL 25 0.653 4.760 4.859 128 2HG2 VAL 25 2HG2 VAL 25 2.097 5.411 5.630 129 3HG2 VAL 25 3HG2 VAL 25 2.152 4.909 3.941 130 H THR 26 H THR 26 -1.666 7.368 2.800 131 HA THR 26 HA THR 26 -2.505 4.665 1.988 132 HB THR 26 HB THR 26 -4.653 5.619 3.411 133 HG1 THR 26 HG1 THR 26 -3.235 7.340 4.160 134 1HG2 THR 26 1HG2 THR 26 -3.729 4.196 5.322 135 2HG2 THR 26 2HG2 THR 26 -2.393 3.839 4.227 136 3HG2 THR 26 3HG2 THR 26 -4.042 3.410 3.775 137 H CYS 27 H CYS 27 -4.345 4.533 0.660 138 HA CYS 27 HA CYS 27 -5.263 7.095 -0.465 139 1HB CYS 27 1HB CYS 27 -4.570 4.571 -1.983 140 2HB CYS 27 2HB CYS 27 -5.374 5.974 -2.693 141 H THR 28 H THR 28 -7.394 7.343 -0.533 142 HA THR 28 HA THR 28 -9.087 5.035 0.093 143 HB THR 28 HB THR 28 -9.955 7.921 -0.021 144 HG1 THR 28 HG1 THR 28 -8.709 6.510 2.084 145 1HG2 THR 28 1HG2 THR 28 -11.143 5.414 0.973 146 2HG2 THR 28 2HG2 THR 28 -11.909 6.848 0.289 147 3HG2 THR 28 3HG2 THR 28 -11.368 6.853 1.968 148 H ASN 29 H ASN 29 -9.129 4.065 -1.948 149 HA ASN 29 HA ASN 29 -10.185 3.556 -3.862 150 1HB ASN 29 1HB ASN 29 -11.293 6.359 -4.020 151 2HB ASN 29 2HB ASN 29 -11.930 4.887 -4.758 152 1HD2 ASN 29 1HD2 ASN 29 -12.178 7.006 -2.190 153 2HD2 ASN 29 2HD2 ASN 29 -13.172 6.048 -1.152 154 H SER 30 H SER 30 -10.516 5.587 -5.948 155 HA SER 30 HA SER 30 -9.357 6.801 -7.522 156 1HB SER 30 1HB SER 30 -6.873 6.377 -5.847 157 2HB SER 30 2HB SER 30 -7.084 7.531 -7.158 158 HG SER 30 HG SER 30 -8.733 7.582 -4.867 159 H GLN 31 H GLN 31 -7.317 6.417 -9.011 160 HA GLN 31 HA GLN 31 -6.787 3.549 -9.270 161 1HB GLN 31 1HB GLN 31 -7.134 4.070 -11.858 162 2HB GLN 31 2HB GLN 31 -8.456 3.527 -10.825 163 1HG GLN 31 1HG GLN 31 -8.059 6.438 -10.933 164 2HG GLN 31 2HG GLN 31 -8.556 5.685 -12.447 165 1HE2 GLN 31 1HE2 GLN 31 -9.596 6.965 -9.556 166 2HE2 GLN 31 2HE2 GLN 31 -11.212 6.354 -9.556 167 H HIS 32 H HIS 32 -4.827 4.946 -8.316 168 HA HIS 32 HA HIS 32 -2.772 4.751 -10.211 169 1HB HIS 32 1HB HIS 32 -4.185 7.238 -10.298 170 2HB HIS 32 2HB HIS 32 -2.549 7.536 -9.700 171 HD1 HIS 32 HD1 HIS 32 -3.362 8.614 -12.433 172 HD2 HIS 32 HD2 HIS 32 -1.578 4.905 -11.864 173 HE1 HIS 32 HE1 HIS 32 -2.291 8.038 -14.634 174 HE2 HIS 32 HE2 HIS 32 -1.299 5.747 -14.294 175 H CYS 33 H CYS 33 -3.381 4.064 -7.447 176 HA CYS 33 HA CYS 33 -1.192 5.485 -6.080 177 1HB CYS 33 1HB CYS 33 -3.792 4.404 -5.137 178 2HB CYS 33 2HB CYS 33 -2.418 4.233 -4.042 179 H VAL 34 H VAL 34 0.136 3.973 -7.429 180 HA VAL 34 HA VAL 34 0.165 1.186 -6.838 181 HB VAL 34 HB VAL 34 1.052 2.149 -8.950 182 1HG1 VAL 34 1HG1 VAL 34 3.350 3.100 -8.911 183 2HG1 VAL 34 2HG1 VAL 34 3.262 3.149 -7.149 184 3HG1 VAL 34 3HG1 VAL 34 2.152 4.122 -8.117 185 1HG2 VAL 34 1HG2 VAL 34 1.687 -0.106 -8.147 186 2HG2 VAL 34 2HG2 VAL 34 3.114 0.599 -7.389 187 3HG2 VAL 34 3HG2 VAL 34 2.931 0.651 -9.143 188 H LYS 35 H LYS 35 1.855 3.985 -5.587 189 HA LYS 35 HA LYS 35 3.508 2.289 -3.881 190 1HB LYS 35 1HB LYS 35 4.924 4.132 -3.593 191 2HB LYS 35 2HB LYS 35 4.420 4.233 -5.268 192 1HG LYS 35 1HG LYS 35 2.558 5.728 -3.762 193 2HG LYS 35 2HG LYS 35 4.170 6.177 -3.199 194 1HD LYS 35 1HD LYS 35 4.811 6.487 -5.610 195 2HD LYS 35 2HD LYS 35 3.107 6.278 -6.017 196 1HE LYS 35 1HE LYS 35 3.372 8.591 -5.888 197 2HE LYS 35 2HE LYS 35 2.677 8.158 -4.327 198 1HZ LYS 35 1HZ LYS 35 5.557 8.643 -4.864 199 2HZ LYS 35 2HZ LYS 35 4.895 8.221 -3.366 200 3HZ LYS 35 3HZ LYS 35 4.507 9.708 -4.074 201 H ALA 36 H ALA 36 0.690 2.480 -3.370 202 HA ALA 36 HA ALA 36 0.599 4.047 -0.885 203 1HB ALA 36 1HB ALA 36 -1.665 2.793 -2.434 204 2HB ALA 36 2HB ALA 36 -1.186 4.489 -2.500 205 3HB ALA 36 3HB ALA 36 -1.823 3.810 -1.001 206 H ASN 37 H ASN 37 0.503 3.090 1.059 207 HA ASN 37 HA ASN 37 1.103 0.366 1.373 208 1HB ASN 37 1HB ASN 37 -0.107 2.224 3.432 209 2HB ASN 37 2HB ASN 37 0.773 0.734 3.755 210 1HD2 ASN 37 1HD2 ASN 37 2.207 1.946 5.057 211 2HD2 ASN 37 2HD2 ASN 37 3.457 2.904 4.346 212 H THR 38 H THR 38 -1.946 2.136 1.700 213 HA THR 38 HA THR 38 -3.374 -0.410 1.410 214 HB THR 38 HB THR 38 -4.630 1.604 3.184 215 HG1 THR 38 HG1 THR 38 -2.507 1.588 3.975 216 1HG2 THR 38 1HG2 THR 38 -4.330 -1.225 3.961 217 2HG2 THR 38 2HG2 THR 38 -5.330 -0.884 2.548 218 3HG2 THR 38 3HG2 THR 38 -5.716 -0.144 4.101 219 H CYS 39 H CYS 39 -4.886 -0.336 -0.131 220 HA CYS 39 HA CYS 39 -6.060 2.256 -0.834 221 1HB CYS 39 1HB CYS 39 -5.871 1.392 -3.296 222 2HB CYS 39 2HB CYS 39 -4.491 2.184 -2.533 223 H THR 40 H THR 40 -8.097 1.852 -0.174 224 HA THR 40 HA THR 40 -9.397 -0.652 -0.935 225 HB THR 40 HB THR 40 -10.863 1.483 0.535 226 HG1 THR 40 HG1 THR 40 -9.727 1.279 2.332 227 1HG2 THR 40 1HG2 THR 40 -11.712 -0.882 0.018 228 2HG2 THR 40 2HG2 THR 40 -11.918 -0.248 1.650 229 3HG2 THR 40 3HG2 THR 40 -10.622 -1.393 1.306 230 H GLY 41 H GLY 41 -10.925 -0.800 -2.503 231 1HA GLY 41 1HA GLY 41 -12.206 -0.183 -4.318 232 2HA GLY 41 2HA GLY 41 -12.571 1.275 -3.413 233 H SER 42 H SER 42 -9.466 0.130 -4.649 234 HA SER 42 HA SER 42 -9.448 2.401 -6.498 235 1HB SER 42 1HB SER 42 -6.888 1.748 -5.107 236 2HB SER 42 2HB SER 42 -7.482 3.305 -5.676 237 HG SER 42 HG SER 42 -8.197 1.908 -3.319 238 H THR 43 H THR 43 -6.815 1.928 -7.443 239 HA THR 43 HA THR 43 -6.771 -0.902 -8.108 240 HB THR 43 HB THR 43 -7.154 -0.730 -10.325 241 HG1 THR 43 HG1 THR 43 -6.581 1.093 -11.575 242 1HG2 THR 43 1HG2 THR 43 -8.499 1.732 -9.267 243 2HG2 THR 43 2HG2 THR 43 -9.191 0.138 -9.568 244 3HG2 THR 43 3HG2 THR 43 -8.708 1.160 -10.924 245 H ASP 44 H ASP 44 -4.778 -0.019 -10.353 246 HA ASP 44 HA ASP 44 -2.438 -0.504 -10.134 247 1HB ASP 44 1HB ASP 44 -3.365 2.176 -10.466 248 2HB ASP 44 2HB ASP 44 -1.854 2.218 -9.564 249 H CYS 45 H CYS 45 -2.314 -1.744 -8.133 250 HA CYS 45 HA CYS 45 -0.933 -0.247 -6.028 251 1HB CYS 45 1HB CYS 45 -3.398 -1.924 -5.754 252 2HB CYS 45 2HB CYS 45 -2.246 -1.838 -4.411 253 H ASN 46 H ASN 46 1.050 -1.132 -6.357 254 HA ASN 46 HA ASN 46 1.258 -4.059 -6.458 255 1HB ASN 46 1HB ASN 46 2.336 -2.757 -8.281 256 2HB ASN 46 2HB ASN 46 3.377 -1.990 -7.078 257 1HD2 ASN 46 1HD2 ASN 46 5.107 -3.074 -6.292 258 2HD2 ASN 46 2HD2 ASN 46 5.604 -4.633 -6.850 259 H THR 47 H THR 47 2.103 -1.269 -4.542 260 HA THR 47 HA THR 47 3.811 -2.868 -2.800 261 HB THR 47 HB THR 47 4.315 -0.455 -3.558 262 HG1 THR 47 HG1 THR 47 5.316 -0.050 -1.555 263 1HG2 THR 47 1HG2 THR 47 3.502 1.322 -2.169 264 2HG2 THR 47 2HG2 THR 47 2.504 0.198 -1.246 265 3HG2 THR 47 3HG2 THR 47 2.134 0.521 -2.939 266 H ALA 48 H ALA 48 0.624 -1.458 -2.875 267 HA ALA 48 HA ALA 48 -0.026 -1.373 -0.187 268 1HB ALA 48 1HB ALA 48 -1.398 -0.726 -2.297 269 2HB ALA 48 2HB ALA 48 -2.237 -1.236 -0.831 270 3HB ALA 48 3HB ALA 48 -2.029 -2.368 -2.167 271 H GLN 49 H GLN 49 -0.656 -2.820 1.341 272 HA GLN 49 HA GLN 49 -0.032 -5.598 0.855 273 1HB GLN 49 1HB GLN 49 -0.350 -5.893 3.245 274 2HB GLN 49 2HB GLN 49 0.664 -4.489 2.940 275 1HG GLN 49 1HG GLN 49 -0.788 -3.084 3.884 276 2HG GLN 49 2HG GLN 49 -2.181 -3.862 3.133 277 1HE2 GLN 49 1HE2 GLN 49 -0.234 -3.593 5.939 278 2HE2 GLN 49 2HE2 GLN 49 -1.131 -4.677 6.941 279 H THR 50 H THR 50 -2.714 -3.831 0.248 280 HA THR 50 HA THR 50 -4.376 -6.055 -0.160 281 HB THR 50 HB THR 50 -4.418 -5.738 2.404 282 HG1 THR 50 HG1 THR 50 -6.886 -5.732 1.016 283 1HG2 THR 50 1HG2 THR 50 -4.804 -3.273 2.316 284 2HG2 THR 50 2HG2 THR 50 -5.943 -4.177 3.315 285 3HG2 THR 50 3HG2 THR 50 -6.424 -3.619 1.712 286 H CYS 51 H CYS 51 -6.572 -5.385 -0.928 287 HA CYS 51 HA CYS 51 -7.264 -2.700 -1.331 288 1HB CYS 51 1HB CYS 51 -6.817 -2.945 -3.970 289 2HB CYS 51 2HB CYS 51 -5.679 -2.176 -2.866 290 H THR 52 H THR 52 -9.374 -2.759 -1.558 291 HA THR 52 HA THR 52 -10.639 -5.107 -2.749 292 HB THR 52 HB THR 52 -12.629 -3.417 -1.777 293 HG1 THR 52 HG1 THR 52 -11.870 -2.923 0.325 294 1HG2 THR 52 1HG2 THR 52 -11.982 -5.993 -1.416 295 2HG2 THR 52 2HG2 THR 52 -13.181 -5.137 -0.447 296 3HG2 THR 52 3HG2 THR 52 -11.537 -5.336 0.158 297 H ASN 53 H ASN 53 -12.020 -4.959 -4.511 298 HA ASN 53 HA ASN 53 -12.843 -4.146 -6.472 299 1HB ASN 53 1HB ASN 53 -13.441 -2.194 -4.499 300 2HB ASN 53 2HB ASN 53 -12.935 -1.327 -5.952 301 1HD2 ASN 53 1HD2 ASN 53 -15.577 -1.871 -4.522 302 2HD2 ASN 53 2HD2 ASN 53 -16.634 -2.359 -5.797 303 H SER 54 H SER 54 -9.932 -4.180 -5.905 304 HA SER 54 HA SER 54 -8.926 -1.981 -7.553 305 1HB SER 54 1HB SER 54 -7.826 -3.727 -5.486 306 2HB SER 54 2HB SER 54 -6.769 -3.611 -6.898 307 HG SER 54 HG SER 54 -7.796 -1.469 -5.344 308 H LYS 55 H LYS 55 -7.047 -2.730 -9.061 309 HA LYS 55 HA LYS 55 -7.693 -5.232 -10.428 310 1HB LYS 55 1HB LYS 55 -7.476 -2.584 -11.873 311 2HB LYS 55 2HB LYS 55 -7.750 -4.156 -12.614 312 1HG LYS 55 1HG LYS 55 -9.922 -3.756 -12.474 313 2HG LYS 55 2HG LYS 55 -9.777 -3.890 -10.721 314 1HD LYS 55 1HD LYS 55 -10.784 -1.812 -11.024 315 2HD LYS 55 2HD LYS 55 -9.079 -1.412 -10.805 316 1HE LYS 55 1HE LYS 55 -10.351 -1.778 -13.509 317 2HE LYS 55 2HE LYS 55 -10.268 -0.219 -12.690 318 1HZ LYS 55 1HZ LYS 55 -7.775 -0.706 -12.547 319 2HZ LYS 55 2HZ LYS 55 -8.405 -0.240 -14.046 320 3HZ LYS 55 3HZ LYS 55 -8.059 -1.868 -13.745 321 H ASP 56 H ASP 56 -5.443 -3.956 -8.795 322 HA ASP 56 HA ASP 56 -3.320 -4.908 -10.520 323 1HB ASP 56 1HB ASP 56 -3.565 -2.084 -9.597 324 2HB ASP 56 2HB ASP 56 -1.958 -2.806 -9.744 325 H CYS 57 H CYS 57 -4.688 -5.588 -7.918 326 HA CYS 57 HA CYS 57 -2.831 -5.216 -5.812 327 1HB CYS 57 1HB CYS 57 -4.960 -7.338 -6.187 328 2HB CYS 57 2HB CYS 57 -4.102 -7.022 -4.679 329 H PHE 58 H PHE 58 -0.902 -5.746 -7.186 330 HA PHE 58 HA PHE 58 -0.434 -8.479 -7.895 331 1HB PHE 58 1HB PHE 58 1.609 -6.268 -7.652 332 2HB PHE 58 2HB PHE 58 1.747 -7.749 -8.594 333 HD1 PHE 58 HD1 PHE 58 -0.514 -7.993 -10.156 334 HD2 PHE 58 HD2 PHE 58 1.456 -4.441 -8.901 335 HE1 PHE 58 HE1 PHE 58 -1.379 -6.817 -12.131 336 HE2 PHE 58 HE2 PHE 58 0.592 -3.259 -10.869 337 HZ PHE 58 HZ PHE 58 -0.807 -4.464 -12.460 338 H GLU 59 H GLU 59 0.138 -6.541 -5.064 339 HA GLU 59 HA GLU 59 1.264 -8.903 -3.749 340 1HB GLU 59 1HB GLU 59 3.015 -7.105 -4.530 341 2HB GLU 59 2HB GLU 59 2.445 -6.227 -3.110 342 1HG GLU 59 1HG GLU 59 2.900 -8.478 -1.883 343 2HG GLU 59 2HG GLU 59 3.927 -8.810 -3.276 344 H ALA 60 H ALA 60 -1.194 -8.612 -3.252 345 HA ALA 60 HA ALA 60 -1.394 -7.084 -0.739 346 1HB ALA 60 1HB ALA 60 -3.063 -6.974 -3.094 347 2HB ALA 60 2HB ALA 60 -3.033 -5.917 -1.684 348 3HB ALA 60 3HB ALA 60 -3.997 -7.394 -1.658 349 H ASN 61 H ASN 61 -2.558 -8.028 0.952 350 HA ASN 61 HA ASN 61 -2.535 -10.910 0.941 351 1HB ASN 61 1HB ASN 61 -3.289 -8.923 3.092 352 2HB ASN 61 2HB ASN 61 -3.195 -10.666 3.330 353 1HD2 ASN 61 1HD2 ASN 61 -1.694 -9.490 4.999 354 2HD2 ASN 61 2HD2 ASN 61 -0.027 -9.451 4.547 355 H THR 62 H THR 62 -4.957 -8.345 1.005 356 HA THR 62 HA THR 62 -7.056 -10.407 0.887 357 HB THR 62 HB THR 62 -7.884 -7.615 1.331 358 HG1 THR 62 HG1 THR 62 -7.063 -7.431 3.334 359 1HG2 THR 62 1HG2 THR 62 -9.286 -9.753 1.544 360 2HG2 THR 62 2HG2 THR 62 -9.442 -8.512 2.787 361 3HG2 THR 62 3HG2 THR 62 -8.472 -9.953 3.095 362 H CYS 63 H CYS 63 -8.002 -10.731 -0.997 363 HA CYS 63 HA CYS 63 -8.053 -8.528 -2.952 364 1HB CYS 63 1HB CYS 63 -6.580 -10.783 -3.274 365 2HB CYS 63 2HB CYS 63 -8.104 -11.298 -4.001 366 H THR 64 H THR 64 -10.149 -8.226 -1.718 367 HA THR 64 HA THR 64 -12.249 -10.088 -2.528 368 HB THR 64 HB THR 64 -13.514 -8.124 -1.096 369 HG1 THR 64 HG1 THR 64 -10.964 -8.469 0.089 370 1HG2 THR 64 1HG2 THR 64 -13.017 -9.651 0.933 371 2HG2 THR 64 2HG2 THR 64 -12.261 -10.699 -0.268 372 3HG2 THR 64 3HG2 THR 64 -13.965 -10.273 -0.417 373 H ASP 65 H ASP 65 -13.640 -9.686 -4.125 374 HA ASP 65 HA ASP 65 -14.594 -8.686 -5.932 375 1HB ASP 65 1HB ASP 65 -14.693 -6.637 -3.777 376 2HB ASP 65 2HB ASP 65 -15.071 -6.102 -5.417 377 H SER 66 H SER 66 -11.612 -8.616 -5.626 378 HA SER 66 HA SER 66 -11.081 -6.383 -7.476 379 1HB SER 66 1HB SER 66 -9.962 -6.082 -5.291 380 2HB SER 66 2HB SER 66 -9.151 -7.640 -5.505 381 HG SER 66 HG SER 66 -7.709 -6.616 -6.618 382 H THR 67 H THR 67 -9.565 -6.766 -9.161 383 HA THR 67 HA THR 67 -9.312 -9.614 -9.858 384 HB THR 67 HB THR 67 -10.583 -8.799 -11.582 385 HG1 THR 67 HG1 THR 67 -9.200 -8.346 -13.356 386 1HG2 THR 67 1HG2 THR 67 -9.122 -6.176 -11.458 387 2HG2 THR 67 2HG2 THR 67 -10.745 -6.502 -10.850 388 3HG2 THR 67 3HG2 THR 67 -10.417 -6.588 -12.582 389 H ASN 68 H ASN 68 -7.416 -10.212 -11.150 390 HA ASN 68 HA ASN 68 -5.165 -10.364 -11.452 391 1HB ASN 68 1HB ASN 68 -5.296 -7.356 -11.134 392 2HB ASN 68 2HB ASN 68 -3.874 -8.248 -11.681 393 1HD2 ASN 68 1HD2 ASN 68 -4.005 -6.963 -13.597 394 2HD2 ASN 68 2HD2 ASN 68 -5.107 -7.394 -14.856 395 H CYS 69 H CYS 69 -4.695 -11.536 -9.619 396 HA CYS 69 HA CYS 69 -3.311 -10.061 -7.519 397 1HB CYS 69 1HB CYS 69 -5.876 -11.322 -7.169 398 2HB CYS 69 2HB CYS 69 -4.670 -12.143 -6.177 399 H TYR 70 H TYR 70 -1.347 -10.864 -8.153 400 HA TYR 70 HA TYR 70 -1.035 -13.768 -8.351 401 1HB TYR 70 1HB TYR 70 1.108 -11.726 -8.913 402 2HB TYR 70 2HB TYR 70 0.988 -13.383 -9.508 403 HD1 TYR 70 HD1 TYR 70 -1.496 -13.703 -10.741 404 HD2 TYR 70 HD2 TYR 70 0.858 -10.162 -10.577 405 HE1 TYR 70 HE1 TYR 70 -2.587 -12.889 -12.789 406 HE2 TYR 70 HE2 TYR 70 -0.228 -9.339 -12.624 407 HH TYR 70 HH TYR 70 -1.421 -10.237 -14.566 408 H LYS 71 H LYS 71 -1.408 -12.341 -5.788 409 HA LYS 71 HA LYS 71 0.449 -13.749 -4.237 410 1HB LYS 71 1HB LYS 71 2.038 -12.063 -5.096 411 2HB LYS 71 2HB LYS 71 1.024 -10.784 -4.429 412 1HG LYS 71 1HG LYS 71 2.987 -11.290 -3.036 413 2HG LYS 71 2HG LYS 71 1.461 -11.541 -2.188 414 1HD LYS 71 1HD LYS 71 2.922 -13.370 -1.670 415 2HD LYS 71 2HD LYS 71 1.639 -13.969 -2.720 416 1HE LYS 71 1HE LYS 71 3.499 -13.255 -4.552 417 2HE LYS 71 2HE LYS 71 4.533 -13.726 -3.204 418 1HZ LYS 71 1HZ LYS 71 3.884 -15.882 -3.335 419 2HZ LYS 71 2HZ LYS 71 3.667 -15.464 -4.960 420 3HZ LYS 71 3HZ LYS 71 2.337 -15.517 -3.916 421 H ALA 72 H ALA 72 -2.002 -13.949 -3.768 422 HA ALA 72 HA ALA 72 -2.543 -12.291 -1.413 423 1HB ALA 72 1HB ALA 72 -4.220 -12.503 -3.846 424 2HB ALA 72 2HB ALA 72 -3.998 -11.151 -2.734 425 3HB ALA 72 3HB ALA 72 -5.048 -12.496 -2.289 426 H THR 73 H THR 73 -3.365 -13.393 0.283 427 HA THR 73 HA THR 73 -3.621 -16.273 0.003 428 HB THR 73 HB THR 73 -2.316 -15.565 1.868 429 HG1 THR 73 HG1 THR 73 -3.397 -17.215 2.665 430 1HG2 THR 73 1HG2 THR 73 -2.754 -13.434 2.492 431 2HG2 THR 73 2HG2 THR 73 -3.678 -14.281 3.734 432 3HG2 THR 73 3HG2 THR 73 -4.499 -13.621 2.320 433 H ALA 74 H ALA 74 -5.628 -13.478 0.561 434 HA ALA 74 HA ALA 74 -7.958 -15.177 1.084 435 1HB ALA 74 1HB ALA 74 -7.256 -12.370 1.675 436 2HB ALA 74 2HB ALA 74 -8.169 -13.540 2.629 437 3HB ALA 74 3HB ALA 74 -8.948 -12.691 1.294 438 H CYS 75 H CYS 75 -8.602 -15.970 -0.863 439 HA CYS 75 HA CYS 75 -9.231 -13.999 -2.962 440 1HB CYS 75 1HB CYS 75 -7.539 -15.454 -3.806 441 2HB CYS 75 2HB CYS 75 -8.358 -16.881 -3.182 442 H THR 76 H THR 76 -11.329 -13.545 -2.476 443 HA THR 76 HA THR 76 -13.217 -15.797 -2.648 444 HB THR 76 HB THR 76 -13.504 -13.373 -0.862 445 HG1 THR 76 HG1 THR 76 -12.820 -14.595 0.730 446 1HG2 THR 76 1HG2 THR 76 -15.676 -13.872 -0.972 447 2HG2 THR 76 2HG2 THR 76 -15.247 -15.225 0.073 448 3HG2 THR 76 3HG2 THR 76 -15.379 -15.465 -1.668 449 H ASN 77 H ASN 77 -13.928 -15.524 -4.698 450 HA ASN 77 HA ASN 77 -15.039 -14.631 -6.470 451 1HB ASN 77 1HB ASN 77 -16.061 -12.560 -4.515 452 2HB ASN 77 2HB ASN 77 -16.806 -13.050 -6.039 453 1HD2 ASN 77 1HD2 ASN 77 -18.479 -13.153 -4.101 454 2HD2 ASN 77 2HD2 ASN 77 -18.729 -14.749 -3.490 455 H SER 78 H SER 78 -12.577 -14.022 -6.741 456 HA SER 78 HA SER 78 -12.566 -11.252 -7.658 457 1HB SER 78 1HB SER 78 -10.898 -12.327 -5.474 458 2HB SER 78 2HB SER 78 -10.013 -11.424 -6.710 459 HG SER 78 HG SER 78 -12.350 -10.453 -5.432 460 H SER 79 H SER 79 -10.874 -10.814 -9.238 461 HA SER 79 HA SER 79 -10.295 -13.199 -10.811 462 1HB SER 79 1HB SER 79 -11.141 -10.671 -11.515 463 2HB SER 79 2HB SER 79 -9.428 -10.645 -11.935 464 HG SER 79 HG SER 79 -9.816 -12.609 -13.111 465 H GLY 80 H GLY 80 -8.273 -13.862 -11.424 466 1HA GLY 80 1HA GLY 80 -5.963 -13.931 -11.494 467 2HA GLY 80 2HA GLY 80 -5.928 -12.338 -10.749 468 H CYS 81 H CYS 81 -7.733 -13.534 -8.541 469 HA CYS 81 HA CYS 81 -5.530 -14.304 -6.855 470 1HB CYS 81 1HB CYS 81 -7.094 -14.184 -5.031 471 2HB CYS 81 2HB CYS 81 -7.368 -12.799 -6.086 472 HA PRO 82 HA PRO 82 -5.793 -18.674 -7.136 473 1HB PRO 82 1HB PRO 82 -5.534 -18.824 -4.191 474 2HB PRO 82 2HB PRO 82 -4.489 -19.487 -5.455 475 1HG PRO 82 1HG PRO 82 -3.749 -17.358 -4.009 476 2HG PRO 82 2HG PRO 82 -3.337 -17.504 -5.727 477 1HD PRO 82 1HD PRO 82 -5.469 -15.862 -4.421 478 2HD PRO 82 2HD PRO 82 -4.408 -15.456 -5.785 479 H GLY 83 H GLY 83 -7.182 -18.239 -3.896 480 1HA GLY 83 1HA GLY 83 -9.570 -18.324 -3.482 481 2HA GLY 83 2HA GLY 83 -9.731 -19.294 -4.938 482 H HIS 84 H HIS 84 -7.312 -20.876 -4.171 483 HA HIS 84 HA HIS 84 -8.593 -22.534 -2.099 484 1HB HIS 84 1HB HIS 84 -7.211 -24.408 -3.220 485 2HB HIS 84 2HB HIS 84 -8.657 -23.836 -4.044 486 HD1 HIS 84 HD1 HIS 84 -4.917 -23.799 -4.279 487 HD2 HIS 84 HD2 HIS 84 -8.214 -22.553 -6.480 488 HE1 HIS 84 HE1 HIS 84 -4.017 -23.169 -6.541 489 HE2 HIS 84 HE2 HIS 84 -6.037 -22.474 -7.875 Start of MODEL 16 1 1H GLN 1 1H GLN 1 -1.151 15.893 4.440 2 2H GLN 1 2H GLN 1 -1.798 16.598 3.015 3 3H GLN 1 3H GLN 1 -1.928 14.905 3.275 4 HA GLN 1 HA GLN 1 -3.460 15.143 4.942 5 1HB GLN 1 1HB GLN 1 -3.983 17.344 5.929 6 2HB GLN 1 2HB GLN 1 -2.297 16.903 6.155 7 1HG GLN 1 1HG GLN 1 -1.687 18.823 5.255 8 2HG GLN 1 2HG GLN 1 -2.451 18.348 3.740 9 1HE2 GLN 1 1HE2 GLN 1 -3.259 19.678 6.925 10 2HE2 GLN 1 2HE2 GLN 1 -4.466 20.774 6.353 11 H CYS 2 H CYS 2 -3.467 15.207 2.042 12 HA CYS 2 HA CYS 2 -5.561 17.058 1.284 13 1HB CYS 2 1HB CYS 2 -4.199 14.849 -0.271 14 2HB CYS 2 2HB CYS 2 -5.356 15.990 -0.948 15 H THR 3 H THR 3 -7.557 16.311 0.256 16 HA THR 3 HA THR 3 -8.473 13.639 0.633 17 HB THR 3 HB THR 3 -8.618 14.343 2.957 18 HG1 THR 3 HG1 THR 3 -10.315 13.043 2.134 19 1HG2 THR 3 1HG2 THR 3 -9.544 16.819 1.850 20 2HG2 THR 3 2HG2 THR 3 -9.040 16.442 3.497 21 3HG2 THR 3 3HG2 THR 3 -10.714 16.180 3.005 22 H GLY 4 H GLY 4 -8.933 13.978 -1.590 23 1HA GLY 4 1HA GLY 4 -11.127 14.088 -2.767 24 2HA GLY 4 2HA GLY 4 -11.297 15.693 -2.060 25 H GLY 5 H GLY 5 -11.650 15.823 -4.592 26 1HA GLY 5 1HA GLY 5 -10.890 17.093 -6.377 27 2HA GLY 5 2HA GLY 5 -9.330 17.223 -5.580 28 H ALA 6 H ALA 6 -9.922 16.674 -8.386 29 HA ALA 6 HA ALA 6 -9.074 13.894 -8.703 30 1HB ALA 6 1HB ALA 6 -10.087 15.956 -10.641 31 2HB ALA 6 2HB ALA 6 -10.852 14.446 -10.148 32 3HB ALA 6 3HB ALA 6 -9.409 14.413 -11.162 33 H ASP 7 H ASP 7 -7.301 16.041 -7.663 34 HA ASP 7 HA ASP 7 -5.009 15.410 -9.283 35 1HB ASP 7 1HB ASP 7 -6.308 17.640 -10.094 36 2HB ASP 7 2HB ASP 7 -5.251 18.333 -8.861 37 H CYS 8 H CYS 8 -3.581 14.816 -7.795 38 HA CYS 8 HA CYS 8 -3.252 16.505 -5.411 39 1HB CYS 8 1HB CYS 8 -3.204 13.481 -5.379 40 2HB CYS 8 2HB CYS 8 -3.037 14.557 -3.989 41 H THR 9 H THR 9 -1.302 17.373 -5.644 42 HA THR 9 HA THR 9 0.963 15.578 -6.134 43 HB THR 9 HB THR 9 0.634 18.276 -7.459 44 HG1 THR 9 HG1 THR 9 0.340 15.642 -8.443 45 1HG2 THR 9 1HG2 THR 9 2.797 18.204 -7.881 46 2HG2 THR 9 2HG2 THR 9 2.555 16.693 -8.760 47 3HG2 THR 9 3HG2 THR 9 2.942 16.660 -7.040 48 H SER 10 H SER 10 2.792 16.044 -4.996 49 HA SER 10 HA SER 10 4.228 17.117 -3.572 50 1HB SER 10 1HB SER 10 3.008 19.266 -4.677 51 2HB SER 10 2HB SER 10 2.491 19.441 -3.001 52 HG SER 10 HG SER 10 4.747 19.253 -2.436 53 H CYS 11 H CYS 11 1.097 16.158 -2.934 54 HA CYS 11 HA CYS 11 1.014 16.818 -0.138 55 1HB CYS 11 1HB CYS 11 -0.906 16.170 -1.923 56 2HB CYS 11 2HB CYS 11 -0.662 14.600 -1.165 57 H THR 12 H THR 12 0.424 14.737 1.317 58 HA THR 12 HA THR 12 2.293 12.569 0.775 59 HB THR 12 HB THR 12 2.697 14.675 2.758 60 HG1 THR 12 HG1 THR 12 4.302 12.565 1.760 61 1HG2 THR 12 1HG2 THR 12 3.582 13.280 4.529 62 2HG2 THR 12 2HG2 THR 12 3.004 11.834 3.698 63 3HG2 THR 12 3HG2 THR 12 1.850 13.014 4.324 64 H GLY 13 H GLY 13 -0.206 13.920 2.891 65 1HA GLY 13 1HA GLY 13 -0.830 11.599 4.317 66 2HA GLY 13 2HA GLY 13 -1.941 12.925 4.011 67 H ALA 14 H ALA 14 -3.421 10.970 4.035 68 HA ALA 14 HA ALA 14 -3.383 9.253 1.737 69 1HB ALA 14 1HB ALA 14 -5.885 9.507 3.273 70 2HB ALA 14 2HB ALA 14 -4.463 9.009 4.190 71 3HB ALA 14 3HB ALA 14 -4.986 8.067 2.794 72 H CYS 15 H CYS 15 -4.688 9.310 -0.072 73 HA CYS 15 HA CYS 15 -6.228 11.792 -0.452 74 1HB CYS 15 1HB CYS 15 -5.713 11.336 -2.955 75 2HB CYS 15 2HB CYS 15 -4.459 12.041 -1.942 76 H THR 16 H THR 16 -8.257 11.666 -1.208 77 HA THR 16 HA THR 16 -9.289 9.021 -1.986 78 HB THR 16 HB THR 16 -10.116 9.460 0.230 79 HG1 THR 16 HG1 THR 16 -11.672 8.653 -1.206 80 1HG2 THR 16 1HG2 THR 16 -9.777 11.857 0.369 81 2HG2 THR 16 2HG2 THR 16 -11.435 11.429 0.793 82 3HG2 THR 16 3HG2 THR 16 -11.079 12.121 -0.790 83 H GLY 17 H GLY 17 -10.899 9.017 -3.616 84 1HA GLY 17 1HA GLY 17 -11.760 9.767 -5.628 85 2HA GLY 17 2HA GLY 17 -12.194 11.214 -4.713 86 H CYS 18 H CYS 18 -9.038 9.873 -5.518 87 HA CYS 18 HA CYS 18 -8.441 12.094 -7.317 88 1HB CYS 18 1HB CYS 18 -7.845 12.732 -4.919 89 2HB CYS 18 2HB CYS 18 -6.627 11.457 -4.983 90 H GLY 19 H GLY 19 -7.880 10.940 -9.087 91 1HA GLY 19 1HA GLY 19 -6.496 8.412 -8.817 92 2HA GLY 19 2HA GLY 19 -7.056 9.138 -10.317 93 H ASN 20 H ASN 20 -5.031 10.912 -8.066 94 HA ASN 20 HA ASN 20 -2.594 10.242 -9.438 95 1HB ASN 20 1HB ASN 20 -2.272 12.829 -9.886 96 2HB ASN 20 2HB ASN 20 -3.039 11.785 -11.076 97 1HD2 ASN 20 1HD2 ASN 20 -4.064 13.637 -11.934 98 2HD2 ASN 20 2HD2 ASN 20 -5.455 14.318 -11.168 99 H CYS 21 H CYS 21 -1.854 9.698 -7.391 100 HA CYS 21 HA CYS 21 -1.523 11.935 -5.507 101 1HB CYS 21 1HB CYS 21 -2.528 9.384 -5.043 102 2HB CYS 21 2HB CYS 21 -0.872 9.300 -4.436 103 HA PRO 22 HA PRO 22 2.828 11.593 -6.158 104 1HB PRO 22 1HB PRO 22 3.726 12.931 -3.980 105 2HB PRO 22 2HB PRO 22 2.906 13.718 -5.329 106 1HG PRO 22 1HG PRO 22 1.941 13.201 -2.608 107 2HG PRO 22 2HG PRO 22 1.351 14.357 -3.808 108 1HD PRO 22 1HD PRO 22 0.268 11.782 -3.117 109 2HD PRO 22 2HD PRO 22 -0.359 12.962 -4.282 110 H ASN 23 H ASN 23 2.749 11.416 -2.608 111 HA ASN 23 HA ASN 23 4.037 8.776 -2.776 112 1HB ASN 23 1HB ASN 23 5.562 9.397 -0.974 113 2HB ASN 23 2HB ASN 23 5.743 10.502 -2.339 114 1HD2 ASN 23 1HD2 ASN 23 4.287 12.484 -2.163 115 2HD2 ASN 23 2HD2 ASN 23 4.239 13.252 -0.618 116 H ALA 24 H ALA 24 1.257 9.688 -2.148 117 HA ALA 24 HA ALA 24 0.580 9.624 0.505 118 1HB ALA 24 1HB ALA 24 -0.774 8.755 -1.981 119 2HB ALA 24 2HB ALA 24 -1.259 9.958 -0.787 120 3HB ALA 24 3HB ALA 24 -1.477 8.241 -0.447 121 H VAL 25 H VAL 25 0.543 8.156 2.111 122 HA VAL 25 HA VAL 25 1.773 5.580 1.645 123 HB VAL 25 HB VAL 25 2.402 6.851 3.633 124 1HG1 VAL 25 1HG1 VAL 25 -0.492 7.012 3.977 125 2HG1 VAL 25 2HG1 VAL 25 0.786 8.062 4.590 126 3HG1 VAL 25 3HG1 VAL 25 0.372 6.579 5.453 127 1HG2 VAL 25 1HG2 VAL 25 2.238 4.269 3.548 128 2HG2 VAL 25 2HG2 VAL 25 0.888 4.484 4.664 129 3HG2 VAL 25 3HG2 VAL 25 2.496 5.062 5.104 130 H THR 26 H THR 26 -1.397 6.880 2.193 131 HA THR 26 HA THR 26 -2.538 4.209 1.816 132 HB THR 26 HB THR 26 -4.304 5.596 3.539 133 HG1 THR 26 HG1 THR 26 -1.680 5.497 4.604 134 1HG2 THR 26 1HG2 THR 26 -2.501 3.479 4.587 135 2HG2 THR 26 2HG2 THR 26 -3.654 3.080 3.313 136 3HG2 THR 26 3HG2 THR 26 -4.227 3.728 4.850 137 H CYS 27 H CYS 27 -4.234 4.186 0.413 138 HA CYS 27 HA CYS 27 -5.288 6.806 -0.427 139 1HB CYS 27 1HB CYS 27 -4.478 4.433 -2.090 140 2HB CYS 27 2HB CYS 27 -5.599 5.653 -2.704 141 H THR 28 H THR 28 -7.344 7.029 0.035 142 HA THR 28 HA THR 28 -9.047 4.658 0.292 143 HB THR 28 HB THR 28 -9.727 7.512 1.020 144 HG1 THR 28 HG1 THR 28 -7.875 6.695 2.174 145 1HG2 THR 28 1HG2 THR 28 -11.006 5.857 2.778 146 2HG2 THR 28 2HG2 THR 28 -11.121 4.970 1.258 147 3HG2 THR 28 3HG2 THR 28 -11.733 6.621 1.364 148 H ASN 29 H ASN 29 -9.483 4.185 -1.854 149 HA ASN 29 HA ASN 29 -10.852 4.221 -3.667 150 1HB ASN 29 1HB ASN 29 -11.664 7.057 -3.052 151 2HB ASN 29 2HB ASN 29 -12.539 5.842 -3.987 152 1HD2 ASN 29 1HD2 ASN 29 -13.503 4.083 -2.859 153 2HD2 ASN 29 2HD2 ASN 29 -13.965 4.255 -1.202 154 H SER 30 H SER 30 -10.936 5.306 -5.772 155 HA SER 30 HA SER 30 -10.049 6.515 -7.517 156 1HB SER 30 1HB SER 30 -9.134 8.025 -5.344 157 2HB SER 30 2HB SER 30 -7.719 7.716 -6.353 158 HG SER 30 HG SER 30 -10.197 8.670 -7.347 159 H GLN 31 H GLN 31 -8.356 6.152 -9.012 160 HA GLN 31 HA GLN 31 -6.698 3.842 -8.309 161 1HB GLN 31 1HB GLN 31 -6.389 3.676 -10.808 162 2HB GLN 31 2HB GLN 31 -8.039 3.443 -10.232 163 1HG GLN 31 1HG GLN 31 -7.618 6.209 -10.806 164 2HG GLN 31 2HG GLN 31 -7.102 5.240 -12.184 165 1HE2 GLN 31 1HE2 GLN 31 -8.708 3.400 -12.682 166 2HE2 GLN 31 2HE2 GLN 31 -10.371 3.866 -12.734 167 H HIS 32 H HIS 32 -4.651 3.858 -9.955 168 HA HIS 32 HA HIS 32 -2.582 4.686 -10.389 169 1HB HIS 32 1HB HIS 32 -4.318 7.026 -10.574 170 2HB HIS 32 2HB HIS 32 -2.674 7.441 -10.084 171 HD1 HIS 32 HD1 HIS 32 -0.845 5.969 -11.747 172 HD2 HIS 32 HD2 HIS 32 -4.531 7.158 -13.252 173 HE1 HIS 32 HE1 HIS 32 -0.585 5.954 -14.248 174 HE2 HIS 32 HE2 HIS 32 -2.857 6.581 -15.137 175 H CYS 33 H CYS 33 -3.400 3.981 -7.698 176 HA CYS 33 HA CYS 33 -1.590 5.720 -6.155 177 1HB CYS 33 1HB CYS 33 -4.215 4.556 -5.528 178 2HB CYS 33 2HB CYS 33 -3.010 4.335 -4.256 179 H VAL 34 H VAL 34 -0.235 3.995 -7.550 180 HA VAL 34 HA VAL 34 0.031 1.375 -6.565 181 HB VAL 34 HB VAL 34 2.233 1.363 -7.682 182 1HG1 VAL 34 1HG1 VAL 34 0.083 1.012 -8.912 183 2HG1 VAL 34 2HG1 VAL 34 1.415 1.592 -9.912 184 3HG1 VAL 34 3HG1 VAL 34 0.150 2.707 -9.394 185 1HG2 VAL 34 1HG2 VAL 34 3.173 3.458 -7.364 186 2HG2 VAL 34 2HG2 VAL 34 1.701 4.304 -7.838 187 3HG2 VAL 34 3HG2 VAL 34 2.694 3.510 -9.060 188 H LYS 35 H LYS 35 1.109 4.389 -5.299 189 HA LYS 35 HA LYS 35 3.114 3.123 -3.594 190 1HB LYS 35 1HB LYS 35 2.856 5.674 -4.762 191 2HB LYS 35 2HB LYS 35 2.689 5.921 -3.030 192 1HG LYS 35 1HG LYS 35 4.994 4.632 -4.469 193 2HG LYS 35 2HG LYS 35 4.984 6.184 -3.629 194 1HD LYS 35 1HD LYS 35 4.089 4.234 -1.788 195 2HD LYS 35 2HD LYS 35 5.520 3.577 -2.584 196 1HE LYS 35 1HE LYS 35 6.423 4.739 -0.795 197 2HE LYS 35 2HE LYS 35 6.554 5.901 -2.116 198 1HZ LYS 35 1HZ LYS 35 5.647 7.189 -0.482 199 2HZ LYS 35 2HZ LYS 35 4.764 5.921 0.207 200 3HZ LYS 35 3HZ LYS 35 4.230 6.640 -1.228 201 H ALA 36 H ALA 36 0.073 2.845 -3.340 202 HA ALA 36 HA ALA 36 -0.295 3.960 -0.657 203 1HB ALA 36 1HB ALA 36 -2.399 2.508 -2.228 204 2HB ALA 36 2HB ALA 36 -2.025 4.206 -2.527 205 3HB ALA 36 3HB ALA 36 -2.600 3.695 -0.939 206 H ASN 37 H ASN 37 -0.137 2.742 1.110 207 HA ASN 37 HA ASN 37 0.628 0.014 0.966 208 1HB ASN 37 1HB ASN 37 0.155 2.001 3.109 209 2HB ASN 37 2HB ASN 37 -0.033 0.313 3.575 210 1HD2 ASN 37 1HD2 ASN 37 1.743 -0.072 4.730 211 2HD2 ASN 37 2HD2 ASN 37 3.361 0.146 4.166 212 H THR 38 H THR 38 -2.400 1.666 1.602 213 HA THR 38 HA THR 38 -3.786 -0.908 1.374 214 HB THR 38 HB THR 38 -4.945 1.054 3.279 215 HG1 THR 38 HG1 THR 38 -2.630 -0.477 3.824 216 1HG2 THR 38 1HG2 THR 38 -6.011 -0.709 4.161 217 2HG2 THR 38 2HG2 THR 38 -4.614 -1.773 4.001 218 3HG2 THR 38 3HG2 THR 38 -5.642 -1.450 2.605 219 H CYS 39 H CYS 39 -5.262 -0.814 -0.187 220 HA CYS 39 HA CYS 39 -6.480 1.798 -0.788 221 1HB CYS 39 1HB CYS 39 -6.668 0.480 -3.172 222 2HB CYS 39 2HB CYS 39 -5.416 1.652 -2.766 223 H THR 40 H THR 40 -8.464 1.644 0.056 224 HA THR 40 HA THR 40 -10.005 -0.815 -0.295 225 HB THR 40 HB THR 40 -11.294 1.471 1.045 226 HG1 THR 40 HG1 THR 40 -9.967 1.546 2.762 227 1HG2 THR 40 1HG2 THR 40 -11.012 -1.446 1.475 228 2HG2 THR 40 2HG2 THR 40 -12.451 -0.426 1.497 229 3HG2 THR 40 3HG2 THR 40 -11.347 -0.424 2.873 230 H GLY 41 H GLY 41 -10.564 -0.792 -2.451 231 1HA GLY 41 1HA GLY 41 -12.207 -0.350 -4.067 232 2HA GLY 41 2HA GLY 41 -12.665 1.090 -3.178 233 H SER 42 H SER 42 -9.687 -0.100 -4.711 234 HA SER 42 HA SER 42 -9.698 2.217 -6.446 235 1HB SER 42 1HB SER 42 -7.580 1.702 -4.345 236 2HB SER 42 2HB SER 42 -7.277 2.712 -5.756 237 HG SER 42 HG SER 42 -8.052 3.748 -3.719 238 H THR 43 H THR 43 -7.000 1.881 -7.324 239 HA THR 43 HA THR 43 -6.809 -0.945 -7.993 240 HB THR 43 HB THR 43 -6.959 -0.720 -10.275 241 HG1 THR 43 HG1 THR 43 -6.212 1.959 -9.849 242 1HG2 THR 43 1HG2 THR 43 -8.796 1.378 -9.155 243 2HG2 THR 43 2HG2 THR 43 -9.158 -0.310 -9.526 244 3HG2 THR 43 3HG2 THR 43 -8.842 0.831 -10.836 245 H ASP 44 H ASP 44 -4.815 0.036 -10.178 246 HA ASP 44 HA ASP 44 -2.462 -0.358 -9.921 247 1HB ASP 44 1HB ASP 44 -2.852 2.580 -9.353 248 2HB ASP 44 2HB ASP 44 -1.513 1.819 -10.207 249 H CYS 45 H CYS 45 -2.317 -1.593 -7.926 250 HA CYS 45 HA CYS 45 -1.131 0.002 -5.765 251 1HB CYS 45 1HB CYS 45 -3.398 -1.935 -5.604 252 2HB CYS 45 2HB CYS 45 -2.259 -1.859 -4.253 253 H ASN 46 H ASN 46 0.942 -0.605 -6.261 254 HA ASN 46 HA ASN 46 1.576 -3.454 -6.402 255 1HB ASN 46 1HB ASN 46 2.550 -1.987 -8.111 256 2HB ASN 46 2HB ASN 46 3.324 -1.022 -6.849 257 1HD2 ASN 46 1HD2 ASN 46 3.198 -4.228 -8.296 258 2HD2 ASN 46 2HD2 ASN 46 4.816 -4.675 -7.889 259 H THR 47 H THR 47 2.246 -0.582 -4.454 260 HA THR 47 HA THR 47 3.934 -2.064 -2.627 261 HB THR 47 HB THR 47 4.197 0.038 -1.454 262 HG1 THR 47 HG1 THR 47 2.845 1.652 -1.663 263 1HG2 THR 47 1HG2 THR 47 4.389 1.496 -3.809 264 2HG2 THR 47 2HG2 THR 47 4.684 -0.178 -4.280 265 3HG2 THR 47 3HG2 THR 47 5.665 0.570 -3.019 266 H ALA 48 H ALA 48 0.599 -1.344 -2.950 267 HA ALA 48 HA ALA 48 -0.253 -1.241 -0.300 268 1HB ALA 48 1HB ALA 48 -1.934 -2.671 -2.291 269 2HB ALA 48 2HB ALA 48 -1.528 -0.981 -2.594 270 3HB ALA 48 3HB ALA 48 -2.378 -1.432 -1.116 271 H GLN 49 H GLN 49 -1.304 -2.873 1.001 272 HA GLN 49 HA GLN 49 -0.124 -5.539 0.603 273 1HB GLN 49 1HB GLN 49 0.580 -5.535 2.726 274 2HB GLN 49 2HB GLN 49 0.205 -3.821 2.746 275 1HG GLN 49 1HG GLN 49 -1.635 -6.037 3.627 276 2HG GLN 49 2HG GLN 49 -0.709 -4.975 4.685 277 1HE2 GLN 49 1HE2 GLN 49 -3.185 -4.919 5.305 278 2HE2 GLN 49 2HE2 GLN 49 -4.031 -3.548 4.679 279 H THR 50 H THR 50 -2.967 -3.966 0.285 280 HA THR 50 HA THR 50 -4.502 -6.303 0.086 281 HB THR 50 HB THR 50 -4.285 -6.045 2.601 282 HG1 THR 50 HG1 THR 50 -6.054 -7.128 1.383 283 1HG2 THR 50 1HG2 THR 50 -6.291 -3.845 2.219 284 2HG2 THR 50 2HG2 THR 50 -4.611 -3.599 2.699 285 3HG2 THR 50 3HG2 THR 50 -5.704 -4.507 3.744 286 H CYS 51 H CYS 51 -6.884 -5.767 -0.234 287 HA CYS 51 HA CYS 51 -7.632 -3.071 -0.767 288 1HB CYS 51 1HB CYS 51 -7.924 -3.477 -3.281 289 2HB CYS 51 2HB CYS 51 -6.286 -3.159 -2.702 290 H THR 52 H THR 52 -9.727 -3.073 -2.189 291 HA THR 52 HA THR 52 -11.305 -5.489 -1.658 292 HB THR 52 HB THR 52 -11.703 -3.843 0.159 293 HG1 THR 52 HG1 THR 52 -13.810 -4.452 -1.620 294 1HG2 THR 52 1HG2 THR 52 -11.762 -1.689 -0.377 295 2HG2 THR 52 2HG2 THR 52 -13.413 -1.999 -0.914 296 3HG2 THR 52 3HG2 THR 52 -12.088 -2.026 -2.077 297 H ASN 53 H ASN 53 -10.131 -3.779 -4.009 298 HA ASN 53 HA ASN 53 -11.830 -4.584 -6.010 299 1HB ASN 53 1HB ASN 53 -13.463 -2.996 -4.958 300 2HB ASN 53 2HB ASN 53 -12.355 -1.681 -5.344 301 1HD2 ASN 53 1HD2 ASN 53 -14.208 -4.312 -6.793 302 2HD2 ASN 53 2HD2 ASN 53 -14.486 -3.520 -8.303 303 H SER 54 H SER 54 -9.026 -4.151 -5.428 304 HA SER 54 HA SER 54 -8.225 -2.095 -7.344 305 1HB SER 54 1HB SER 54 -7.067 -2.240 -5.145 306 2HB SER 54 2HB SER 54 -6.491 -3.851 -5.588 307 HG SER 54 HG SER 54 -5.042 -2.987 -6.853 308 H LYS 55 H LYS 55 -7.526 -2.536 -9.348 309 HA LYS 55 HA LYS 55 -7.453 -5.331 -10.187 310 1HB LYS 55 1HB LYS 55 -7.238 -2.876 -11.931 311 2HB LYS 55 2HB LYS 55 -7.610 -4.517 -12.438 312 1HG LYS 55 1HG LYS 55 -9.781 -4.315 -11.933 313 2HG LYS 55 2HG LYS 55 -9.457 -3.425 -10.445 314 1HD LYS 55 1HD LYS 55 -10.670 -2.044 -12.059 315 2HD LYS 55 2HD LYS 55 -9.062 -1.391 -11.740 316 1HE LYS 55 1HE LYS 55 -9.752 -1.395 -14.153 317 2HE LYS 55 2HE LYS 55 -8.228 -2.211 -13.809 318 1HZ LYS 55 1HZ LYS 55 -9.072 -4.214 -14.355 319 2HZ LYS 55 2HZ LYS 55 -10.142 -3.289 -15.283 320 3HZ LYS 55 3HZ LYS 55 -10.621 -3.867 -13.767 321 H ASP 56 H ASP 56 -5.253 -3.880 -8.653 322 HA ASP 56 HA ASP 56 -3.086 -4.883 -10.304 323 1HB ASP 56 1HB ASP 56 -3.476 -2.019 -9.614 324 2HB ASP 56 2HB ASP 56 -1.831 -2.659 -9.558 325 H CYS 57 H CYS 57 -4.412 -5.580 -7.746 326 HA CYS 57 HA CYS 57 -2.517 -4.979 -5.672 327 1HB CYS 57 1HB CYS 57 -5.113 -6.283 -5.884 328 2HB CYS 57 2HB CYS 57 -4.019 -7.158 -4.810 329 H PHE 58 H PHE 58 -0.635 -5.734 -6.919 330 HA PHE 58 HA PHE 58 -0.348 -8.578 -7.339 331 1HB PHE 58 1HB PHE 58 1.931 -6.628 -7.471 332 2HB PHE 58 2HB PHE 58 1.664 -8.086 -8.420 333 HD1 PHE 58 HD1 PHE 58 -0.052 -8.084 -10.182 334 HD2 PHE 58 HD2 PHE 58 1.222 -4.563 -8.172 335 HE1 PHE 58 HE1 PHE 58 -0.930 -6.719 -12.024 336 HE2 PHE 58 HE2 PHE 58 0.342 -3.191 -10.006 337 HZ PHE 58 HZ PHE 58 -0.716 -4.291 -11.910 338 H GLU 59 H GLU 59 0.523 -6.239 -4.907 339 HA GLU 59 HA GLU 59 1.929 -8.366 -3.426 340 1HB GLU 59 1HB GLU 59 3.076 -6.071 -4.217 341 2HB GLU 59 2HB GLU 59 2.385 -5.526 -2.689 342 1HG GLU 59 1HG GLU 59 4.604 -6.215 -2.250 343 2HG GLU 59 2HG GLU 59 3.537 -7.451 -1.584 344 H ALA 60 H ALA 60 -0.879 -8.078 -3.347 345 HA ALA 60 HA ALA 60 -1.346 -6.884 -0.701 346 1HB ALA 60 1HB ALA 60 -3.823 -7.334 -1.449 347 2HB ALA 60 2HB ALA 60 -3.101 -7.352 -3.059 348 3HB ALA 60 3HB ALA 60 -2.940 -5.924 -2.037 349 H ASN 61 H ASN 61 -2.647 -8.038 0.834 350 HA ASN 61 HA ASN 61 -2.189 -10.927 0.693 351 1HB ASN 61 1HB ASN 61 -2.320 -8.937 2.858 352 2HB ASN 61 2HB ASN 61 -3.135 -10.456 3.221 353 1HD2 ASN 61 1HD2 ASN 61 -1.630 -12.325 2.063 354 2HD2 ASN 61 2HD2 ASN 61 -0.029 -12.328 2.712 355 H THR 62 H THR 62 -4.739 -8.533 1.111 356 HA THR 62 HA THR 62 -6.707 -10.671 0.641 357 HB THR 62 HB THR 62 -7.252 -8.305 2.427 358 HG1 THR 62 HG1 THR 62 -5.750 -9.377 3.566 359 1HG2 THR 62 1HG2 THR 62 -8.652 -10.767 2.989 360 2HG2 THR 62 2HG2 THR 62 -8.959 -10.187 1.351 361 3HG2 THR 62 3HG2 THR 62 -9.280 -9.139 2.733 362 H CYS 63 H CYS 63 -7.416 -10.306 -1.362 363 HA CYS 63 HA CYS 63 -8.209 -7.555 -2.053 364 1HB CYS 63 1HB CYS 63 -7.638 -8.104 -4.419 365 2HB CYS 63 2HB CYS 63 -6.242 -8.085 -3.339 366 H THR 64 H THR 64 -10.352 -7.910 -1.452 367 HA THR 64 HA THR 64 -11.827 -10.021 -2.834 368 HB THR 64 HB THR 64 -13.482 -8.309 -1.201 369 HG1 THR 64 HG1 THR 64 -12.413 -8.241 0.626 370 1HG2 THR 64 1HG2 THR 64 -14.174 -10.532 -1.583 371 2HG2 THR 64 2HG2 THR 64 -13.756 -10.417 0.127 372 3HG2 THR 64 3HG2 THR 64 -12.639 -11.182 -1.005 373 H ASP 65 H ASP 65 -13.118 -9.638 -4.542 374 HA ASP 65 HA ASP 65 -14.346 -8.529 -6.124 375 1HB ASP 65 1HB ASP 65 -14.020 -5.977 -4.545 376 2HB ASP 65 2HB ASP 65 -15.306 -6.405 -5.677 377 H SER 66 H SER 66 -11.351 -8.609 -5.922 378 HA SER 66 HA SER 66 -10.774 -6.380 -7.757 379 1HB SER 66 1HB SER 66 -9.074 -5.805 -6.424 380 2HB SER 66 2HB SER 66 -9.490 -7.118 -5.319 381 HG SER 66 HG SER 66 -8.075 -8.443 -6.360 382 H THR 67 H THR 67 -8.745 -6.906 -9.119 383 HA THR 67 HA THR 67 -8.744 -9.710 -9.965 384 HB THR 67 HB THR 67 -10.247 -8.711 -11.502 385 HG1 THR 67 HG1 THR 67 -9.039 -8.814 -13.452 386 1HG2 THR 67 1HG2 THR 67 -8.269 -6.567 -12.179 387 2HG2 THR 67 2HG2 THR 67 -9.552 -6.340 -10.991 388 3HG2 THR 67 3HG2 THR 67 -9.959 -6.704 -12.668 389 H ASN 68 H ASN 68 -6.888 -10.264 -11.334 390 HA ASN 68 HA ASN 68 -4.665 -10.320 -11.797 391 1HB ASN 68 1HB ASN 68 -5.254 -7.411 -11.770 392 2HB ASN 68 2HB ASN 68 -3.555 -7.872 -11.639 393 1HD2 ASN 68 1HD2 ASN 68 -3.160 -6.944 -13.668 394 2HD2 ASN 68 2HD2 ASN 68 -3.615 -7.745 -15.129 395 H CYS 69 H CYS 69 -5.468 -10.875 -9.161 396 HA CYS 69 HA CYS 69 -3.607 -9.546 -7.381 397 1HB CYS 69 1HB CYS 69 -6.038 -10.770 -6.981 398 2HB CYS 69 2HB CYS 69 -4.904 -11.987 -6.385 399 H TYR 70 H TYR 70 -1.720 -10.360 -6.605 400 HA TYR 70 HA TYR 70 -0.926 -13.043 -7.513 401 1HB TYR 70 1HB TYR 70 0.716 -10.507 -7.591 402 2HB TYR 70 2HB TYR 70 1.406 -12.120 -7.783 403 HD1 TYR 70 HD1 TYR 70 -0.981 -13.230 -9.420 404 HD2 TYR 70 HD2 TYR 70 1.358 -9.689 -9.743 405 HE1 TYR 70 HE1 TYR 70 -1.452 -13.144 -11.831 406 HE2 TYR 70 HE2 TYR 70 0.889 -9.593 -12.154 407 HH TYR 70 HH TYR 70 -0.132 -12.044 -13.928 408 H LYS 71 H LYS 71 -0.810 -14.234 -5.737 409 HA LYS 71 HA LYS 71 0.020 -15.038 -3.765 410 1HB LYS 71 1HB LYS 71 2.040 -13.481 -4.488 411 2HB LYS 71 2HB LYS 71 1.475 -12.510 -3.129 412 1HG LYS 71 1HG LYS 71 2.370 -13.902 -1.647 413 2HG LYS 71 2HG LYS 71 1.676 -15.317 -2.441 414 1HD LYS 71 1HD LYS 71 3.894 -14.091 -3.907 415 2HD LYS 71 2HD LYS 71 4.342 -14.721 -2.321 416 1HE LYS 71 1HE LYS 71 4.231 -16.825 -3.043 417 2HE LYS 71 2HE LYS 71 2.628 -16.569 -3.732 418 1HZ LYS 71 1HZ LYS 71 4.842 -15.413 -5.213 419 2HZ LYS 71 2HZ LYS 71 3.467 -16.223 -5.775 420 3HZ LYS 71 3HZ LYS 71 4.785 -17.105 -5.187 421 H ALA 72 H ALA 72 -2.471 -14.036 -3.787 422 HA ALA 72 HA ALA 72 -2.672 -12.432 -1.324 423 1HB ALA 72 1HB ALA 72 -5.175 -12.346 -2.344 424 2HB ALA 72 2HB ALA 72 -4.224 -12.471 -3.823 425 3HB ALA 72 3HB ALA 72 -3.923 -11.154 -2.691 426 H THR 73 H THR 73 -3.858 -13.167 0.389 427 HA THR 73 HA THR 73 -4.332 -15.989 0.524 428 HB THR 73 HB THR 73 -5.154 -15.444 2.842 429 HG1 THR 73 HG1 THR 73 -5.430 -13.445 3.411 430 1HG2 THR 73 1HG2 THR 73 -2.694 -15.821 2.199 431 2HG2 THR 73 2HG2 THR 73 -3.064 -15.094 3.763 432 3HG2 THR 73 3HG2 THR 73 -2.531 -14.079 2.422 433 H ALA 74 H ALA 74 -6.354 -13.100 0.363 434 HA ALA 74 HA ALA 74 -8.772 -14.741 0.398 435 1HB ALA 74 1HB ALA 74 -9.580 -12.128 0.047 436 2HB ALA 74 2HB ALA 74 -8.134 -11.982 1.048 437 3HB ALA 74 3HB ALA 74 -9.479 -12.989 1.582 438 H CYS 75 H CYS 75 -9.505 -15.525 -1.458 439 HA CYS 75 HA CYS 75 -9.208 -13.887 -3.889 440 1HB CYS 75 1HB CYS 75 -9.152 -16.908 -3.805 441 2HB CYS 75 2HB CYS 75 -8.845 -15.872 -5.202 442 H THR 76 H THR 76 -11.421 -13.464 -2.486 443 HA THR 76 HA THR 76 -13.536 -15.246 -3.387 444 HB THR 76 HB THR 76 -13.698 -12.702 -1.757 445 HG1 THR 76 HG1 THR 76 -13.498 -15.423 -1.023 446 1HG2 THR 76 1HG2 THR 76 -15.785 -14.576 -1.234 447 2HG2 THR 76 2HG2 THR 76 -15.763 -14.176 -2.950 448 3HG2 THR 76 3HG2 THR 76 -15.896 -12.893 -1.747 449 H ASN 77 H ASN 77 -14.442 -14.994 -5.308 450 HA ASN 77 HA ASN 77 -14.976 -14.084 -7.339 451 1HB ASN 77 1HB ASN 77 -16.520 -12.169 -7.179 452 2HB ASN 77 2HB ASN 77 -16.884 -13.407 -5.974 453 1HD2 ASN 77 1HD2 ASN 77 -15.742 -10.189 -6.529 454 2HD2 ASN 77 2HD2 ASN 77 -15.761 -9.674 -4.880 455 H SER 78 H SER 78 -12.337 -13.648 -6.914 456 HA SER 78 HA SER 78 -11.953 -10.982 -8.091 457 1HB SER 78 1HB SER 78 -9.643 -11.117 -6.839 458 2HB SER 78 2HB SER 78 -11.084 -10.557 -5.981 459 HG SER 78 HG SER 78 -11.115 -12.352 -4.831 460 H SER 79 H SER 79 -10.329 -10.816 -9.648 461 HA SER 79 HA SER 79 -9.587 -13.351 -10.870 462 1HB SER 79 1HB SER 79 -10.110 -10.675 -11.813 463 2HB SER 79 2HB SER 79 -8.546 -11.235 -12.403 464 HG SER 79 HG SER 79 -10.439 -11.785 -13.717 465 H GLY 80 H GLY 80 -7.471 -13.970 -11.355 466 1HA GLY 80 1HA GLY 80 -5.142 -13.874 -11.271 467 2HA GLY 80 2HA GLY 80 -5.260 -12.337 -10.420 468 H CYS 81 H CYS 81 -7.063 -13.352 -8.365 469 HA CYS 81 HA CYS 81 -5.060 -14.472 -6.627 470 1HB CYS 81 1HB CYS 81 -6.857 -12.717 -6.030 471 2HB CYS 81 2HB CYS 81 -7.959 -14.091 -5.909 472 HA PRO 82 HA PRO 82 -6.120 -18.705 -7.774 473 1HB PRO 82 1HB PRO 82 -4.602 -19.183 -5.252 474 2HB PRO 82 2HB PRO 82 -4.421 -19.945 -6.840 475 1HG PRO 82 1HG PRO 82 -2.674 -18.117 -6.003 476 2HG PRO 82 2HG PRO 82 -3.198 -18.171 -7.697 477 1HD PRO 82 1HD PRO 82 -3.986 -16.284 -5.524 478 2HD PRO 82 2HD PRO 82 -3.758 -15.979 -7.258 479 H GLY 83 H GLY 83 -8.263 -18.990 -7.368 480 1HA GLY 83 1HA GLY 83 -9.634 -18.528 -5.004 481 2HA GLY 83 2HA GLY 83 -10.140 -19.675 -6.235 482 H HIS 84 H HIS 84 -8.099 -21.540 -6.086 483 HA HIS 84 HA HIS 84 -7.418 -22.388 -3.506 484 1HB HIS 84 1HB HIS 84 -10.126 -23.117 -4.411 485 2HB HIS 84 2HB HIS 84 -9.162 -24.466 -3.816 486 HD1 HIS 84 HD1 HIS 84 -7.675 -22.802 -1.569 487 HD2 HIS 84 HD2 HIS 84 -11.779 -22.921 -2.212 488 HE1 HIS 84 HE1 HIS 84 -8.719 -22.177 0.632 489 HE2 HIS 84 HE2 HIS 84 -11.200 -22.174 0.196 Start of MODEL 17 1 1H GLN 1 1H GLN 1 -10.118 17.007 3.816 2 2H GLN 1 2H GLN 1 -10.616 18.603 4.206 3 3H GLN 1 3H GLN 1 -8.975 18.140 4.404 4 HA GLN 1 HA GLN 1 -10.493 18.625 1.951 5 1HB GLN 1 1HB GLN 1 -8.738 20.181 1.514 6 2HB GLN 1 2HB GLN 1 -9.224 20.422 3.185 7 1HG GLN 1 1HG GLN 1 -7.275 18.834 3.749 8 2HG GLN 1 2HG GLN 1 -6.727 19.180 2.110 9 1HE2 GLN 1 1HE2 GLN 1 -7.547 21.857 1.961 10 2HE2 GLN 1 2HE2 GLN 1 -6.558 22.788 3.028 11 H CYS 2 H CYS 2 -8.242 18.688 0.295 12 HA CYS 2 HA CYS 2 -6.998 17.369 -1.077 13 1HB CYS 2 1HB CYS 2 -6.567 16.158 1.601 14 2HB CYS 2 2HB CYS 2 -6.106 15.186 0.208 15 H THR 3 H THR 3 -9.862 16.995 -0.880 16 HA THR 3 HA THR 3 -10.011 14.248 -1.917 17 HB THR 3 HB THR 3 -11.001 14.320 0.342 18 HG1 THR 3 HG1 THR 3 -12.010 12.848 -0.869 19 1HG2 THR 3 1HG2 THR 3 -13.442 15.629 -0.147 20 2HG2 THR 3 2HG2 THR 3 -12.153 16.760 -0.562 21 3HG2 THR 3 3HG2 THR 3 -12.203 16.032 1.043 22 H GLY 4 H GLY 4 -9.631 16.650 -3.392 23 1HA GLY 4 1HA GLY 4 -12.026 16.509 -5.068 24 2HA GLY 4 2HA GLY 4 -11.539 18.097 -4.480 25 H GLY 5 H GLY 5 -11.717 17.638 -7.173 26 1HA GLY 5 1HA GLY 5 -10.415 18.297 -8.986 27 2HA GLY 5 2HA GLY 5 -8.984 18.157 -7.978 28 H ALA 6 H ALA 6 -9.120 17.258 -10.635 29 HA ALA 6 HA ALA 6 -9.600 14.440 -10.719 30 1HB ALA 6 1HB ALA 6 -9.458 16.319 -12.626 31 2HB ALA 6 2HB ALA 6 -9.230 14.600 -12.946 32 3HB ALA 6 3HB ALA 6 -7.829 15.653 -12.749 33 H ASP 7 H ASP 7 -6.824 16.482 -10.107 34 HA ASP 7 HA ASP 7 -5.183 14.061 -9.742 35 1HB ASP 7 1HB ASP 7 -4.655 16.102 -11.475 36 2HB ASP 7 2HB ASP 7 -3.759 16.624 -10.045 37 H CYS 8 H CYS 8 -3.744 14.006 -7.968 38 HA CYS 8 HA CYS 8 -4.457 15.873 -5.802 39 1HB CYS 8 1HB CYS 8 -4.522 13.011 -5.908 40 2HB CYS 8 2HB CYS 8 -3.318 13.506 -4.714 41 H THR 9 H THR 9 -2.399 16.398 -7.684 42 HA THR 9 HA THR 9 0.165 15.656 -6.861 43 HB THR 9 HB THR 9 -0.242 18.408 -7.914 44 HG1 THR 9 HG1 THR 9 -0.986 16.049 -9.281 45 1HG2 THR 9 1HG2 THR 9 1.915 16.744 -7.780 46 2HG2 THR 9 2HG2 THR 9 1.752 18.129 -8.860 47 3HG2 THR 9 3HG2 THR 9 1.357 16.510 -9.436 48 H SER 10 H SER 10 -1.859 18.391 -5.865 49 HA SER 10 HA SER 10 0.004 19.706 -4.258 50 1HB SER 10 1HB SER 10 -2.423 20.380 -4.987 51 2HB SER 10 2HB SER 10 -2.888 19.609 -3.470 52 HG SER 10 HG SER 10 -1.606 21.058 -2.363 53 H CYS 11 H CYS 11 -2.015 16.918 -3.610 54 HA CYS 11 HA CYS 11 -1.143 16.854 -0.820 55 1HB CYS 11 1HB CYS 11 -3.551 16.233 -1.975 56 2HB CYS 11 2HB CYS 11 -2.819 14.642 -1.793 57 H THR 12 H THR 12 0.303 15.428 -0.034 58 HA THR 12 HA THR 12 1.288 13.328 -1.847 59 HB THR 12 HB THR 12 3.549 13.765 -1.215 60 HG1 THR 12 HG1 THR 12 2.459 15.602 0.645 61 1HG2 THR 12 1HG2 THR 12 2.183 16.395 -1.730 62 2HG2 THR 12 2HG2 THR 12 2.819 15.277 -2.938 63 3HG2 THR 12 3HG2 THR 12 3.920 16.111 -1.841 64 H GLY 13 H GLY 13 0.612 14.363 1.429 65 1HA GLY 13 1HA GLY 13 1.686 12.236 2.864 66 2HA GLY 13 2HA GLY 13 0.288 13.175 3.361 67 H ALA 14 H ALA 14 -1.820 12.505 2.560 68 HA ALA 14 HA ALA 14 -1.920 9.670 1.775 69 1HB ALA 14 1HB ALA 14 -3.892 10.840 3.711 70 2HB ALA 14 2HB ALA 14 -2.374 10.127 4.255 71 3HB ALA 14 3HB ALA 14 -3.543 9.145 3.373 72 H CYS 15 H CYS 15 -3.242 9.237 0.121 73 HA CYS 15 HA CYS 15 -4.742 11.417 -1.066 74 1HB CYS 15 1HB CYS 15 -3.716 8.793 -1.949 75 2HB CYS 15 2HB CYS 15 -5.242 9.281 -2.675 76 H THR 16 H THR 16 -6.915 11.615 -1.136 77 HA THR 16 HA THR 16 -8.579 9.388 -0.226 78 HB THR 16 HB THR 16 -8.153 10.774 1.760 79 HG1 THR 16 HG1 THR 16 -10.140 9.873 1.795 80 1HG2 THR 16 1HG2 THR 16 -7.790 12.938 0.678 81 2HG2 THR 16 2HG2 THR 16 -9.013 13.022 1.946 82 3HG2 THR 16 3HG2 THR 16 -9.500 13.001 0.252 83 H GLY 17 H GLY 17 -10.227 9.084 -1.576 84 1HA GLY 17 1HA GLY 17 -11.663 9.429 -3.345 85 2HA GLY 17 2HA GLY 17 -12.022 10.944 -2.519 86 H CYS 18 H CYS 18 -8.995 9.930 -4.038 87 HA CYS 18 HA CYS 18 -9.286 12.168 -5.935 88 1HB CYS 18 1HB CYS 18 -7.230 11.602 -4.013 89 2HB CYS 18 2HB CYS 18 -6.540 11.509 -5.633 90 H GLY 19 H GLY 19 -7.068 11.617 -7.509 91 1HA GLY 19 1HA GLY 19 -7.718 8.964 -8.639 92 2HA GLY 19 2HA GLY 19 -7.462 10.382 -9.654 93 H ASN 20 H ASN 20 -5.296 11.441 -9.438 94 HA ASN 20 HA ASN 20 -3.245 9.374 -9.431 95 1HB ASN 20 1HB ASN 20 -3.362 10.948 -11.332 96 2HB ASN 20 2HB ASN 20 -3.055 12.287 -10.230 97 1HD2 ASN 20 1HD2 ASN 20 -1.015 12.216 -9.024 98 2HD2 ASN 20 2HD2 ASN 20 0.376 11.543 -9.796 99 H CYS 21 H CYS 21 -1.353 9.477 -8.197 100 HA CYS 21 HA CYS 21 -1.238 11.493 -6.079 101 1HB CYS 21 1HB CYS 21 -1.023 8.522 -5.537 102 2HB CYS 21 2HB CYS 21 -0.879 9.819 -4.347 103 HA PRO 22 HA PRO 22 3.064 11.190 -6.993 104 1HB PRO 22 1HB PRO 22 4.072 12.584 -4.902 105 2HB PRO 22 2HB PRO 22 3.175 13.336 -6.220 106 1HG PRO 22 1HG PRO 22 2.354 12.845 -3.440 107 2HG PRO 22 2HG PRO 22 1.732 14.020 -4.606 108 1HD PRO 22 1HD PRO 22 0.593 11.502 -3.863 109 2HD PRO 22 2HD PRO 22 -0.012 12.660 -5.064 110 H ASN 23 H ASN 23 3.268 11.133 -3.447 111 HA ASN 23 HA ASN 23 4.462 8.448 -3.637 112 1HB ASN 23 1HB ASN 23 5.544 10.115 -1.476 113 2HB ASN 23 2HB ASN 23 6.381 9.066 -2.623 114 1HD2 ASN 23 1HD2 ASN 23 4.671 12.167 -2.481 115 2HD2 ASN 23 2HD2 ASN 23 5.729 12.997 -3.566 116 H ALA 24 H ALA 24 1.759 9.284 -2.901 117 HA ALA 24 HA ALA 24 1.212 9.376 -0.205 118 1HB ALA 24 1HB ALA 24 -0.397 9.473 -2.186 119 2HB ALA 24 2HB ALA 24 -0.968 8.678 -0.719 120 3HB ALA 24 3HB ALA 24 -0.427 7.712 -2.093 121 H VAL 25 H VAL 25 0.899 7.868 1.435 122 HA VAL 25 HA VAL 25 2.085 5.224 0.913 123 HB VAL 25 HB VAL 25 2.903 5.123 3.089 124 1HG1 VAL 25 1HG1 VAL 25 4.116 7.220 3.464 125 2HG1 VAL 25 2HG1 VAL 25 3.060 8.030 2.309 126 3HG1 VAL 25 3HG1 VAL 25 4.137 6.742 1.767 127 1HG2 VAL 25 1HG2 VAL 25 2.220 6.937 4.799 128 2HG2 VAL 25 2HG2 VAL 25 1.106 5.607 4.475 129 3HG2 VAL 25 3HG2 VAL 25 0.831 7.185 3.739 130 H THR 26 H THR 26 -0.869 6.679 1.414 131 HA THR 26 HA THR 26 -2.212 4.201 1.724 132 HB THR 26 HB THR 26 -3.097 5.746 4.010 133 HG1 THR 26 HG1 THR 26 -1.228 5.351 5.281 134 1HG2 THR 26 1HG2 THR 26 -3.217 3.738 5.079 135 2HG2 THR 26 2HG2 THR 26 -1.795 3.088 4.260 136 3HG2 THR 26 3HG2 THR 26 -3.329 3.215 3.398 137 H CYS 27 H CYS 27 -4.197 4.364 0.867 138 HA CYS 27 HA CYS 27 -5.689 6.835 1.012 139 1HB CYS 27 1HB CYS 27 -5.965 6.516 -1.651 140 2HB CYS 27 2HB CYS 27 -4.789 7.607 -0.925 141 H THR 28 H THR 28 -7.862 6.600 0.590 142 HA THR 28 HA THR 28 -8.781 3.820 0.365 143 HB THR 28 HB THR 28 -10.995 5.236 1.096 144 HG1 THR 28 HG1 THR 28 -10.397 6.800 2.544 145 1HG2 THR 28 1HG2 THR 28 -9.515 4.713 3.484 146 2HG2 THR 28 2HG2 THR 28 -9.288 3.397 2.332 147 3HG2 THR 28 3HG2 THR 28 -10.915 3.867 2.825 148 H ASN 29 H ASN 29 -9.364 3.288 -1.653 149 HA ASN 29 HA ASN 29 -10.568 3.274 -3.560 150 1HB ASN 29 1HB ASN 29 -12.012 5.046 -2.099 151 2HB ASN 29 2HB ASN 29 -11.438 6.099 -3.386 152 1HD2 ASN 29 1HD2 ASN 29 -13.627 3.662 -2.488 153 2HD2 ASN 29 2HD2 ASN 29 -14.405 3.472 -4.018 154 H SER 30 H SER 30 -10.821 5.651 -5.195 155 HA SER 30 HA SER 30 -9.662 7.084 -6.577 156 1HB SER 30 1HB SER 30 -8.132 7.590 -4.670 157 2HB SER 30 2HB SER 30 -7.140 6.213 -5.142 158 HG SER 30 HG SER 30 -6.551 8.397 -5.966 159 H GLN 31 H GLN 31 -7.532 6.827 -8.120 160 HA GLN 31 HA GLN 31 -7.417 4.047 -9.035 161 1HB GLN 31 1HB GLN 31 -7.618 5.146 -11.432 162 2HB GLN 31 2HB GLN 31 -9.046 4.662 -10.519 163 1HG GLN 31 1HG GLN 31 -9.456 6.916 -9.845 164 2HG GLN 31 2HG GLN 31 -7.918 7.452 -10.520 165 1HE2 GLN 31 1HE2 GLN 31 -7.717 6.712 -12.938 166 2HE2 GLN 31 2HE2 GLN 31 -9.076 7.123 -13.922 167 H HIS 32 H HIS 32 -5.318 5.044 -7.754 168 HA HIS 32 HA HIS 32 -3.198 4.763 -9.515 169 1HB HIS 32 1HB HIS 32 -4.272 7.255 -9.914 170 2HB HIS 32 2HB HIS 32 -2.991 7.591 -8.744 171 HD1 HIS 32 HD1 HIS 32 -0.542 7.112 -9.513 172 HD2 HIS 32 HD2 HIS 32 -3.417 6.607 -12.470 173 HE1 HIS 32 HE1 HIS 32 0.733 7.003 -11.676 174 HE2 HIS 32 HE2 HIS 32 -1.020 6.596 -13.441 175 H CYS 33 H CYS 33 -3.906 3.872 -6.978 176 HA CYS 33 HA CYS 33 -2.029 5.189 -5.152 177 1HB CYS 33 1HB CYS 33 -4.300 3.257 -4.772 178 2HB CYS 33 2HB CYS 33 -3.091 3.484 -3.509 179 H VAL 34 H VAL 34 -0.679 4.019 -7.113 180 HA VAL 34 HA VAL 34 -0.063 1.275 -6.631 181 HB VAL 34 HB VAL 34 1.867 1.709 -8.191 182 1HG1 VAL 34 1HG1 VAL 34 -0.991 1.838 -8.745 183 2HG1 VAL 34 2HG1 VAL 34 0.271 0.870 -9.507 184 3HG1 VAL 34 3HG1 VAL 34 0.000 2.533 -10.027 185 1HG2 VAL 34 1HG2 VAL 34 2.506 3.794 -8.608 186 2HG2 VAL 34 2HG2 VAL 34 1.202 4.409 -7.594 187 3HG2 VAL 34 3HG2 VAL 34 0.929 4.139 -9.315 188 H LYS 35 H LYS 35 0.689 3.915 -4.806 189 HA LYS 35 HA LYS 35 3.138 2.607 -3.845 190 1HB LYS 35 1HB LYS 35 2.728 5.399 -4.700 191 2HB LYS 35 2HB LYS 35 3.573 5.214 -3.169 192 1HG LYS 35 1HG LYS 35 5.108 5.372 -5.060 193 2HG LYS 35 2HG LYS 35 5.246 3.823 -4.225 194 1HD LYS 35 1HD LYS 35 4.484 2.650 -6.000 195 2HD LYS 35 2HD LYS 35 3.331 3.903 -6.464 196 1HE LYS 35 1HE LYS 35 4.990 5.156 -7.579 197 2HE LYS 35 2HE LYS 35 6.295 4.226 -6.842 198 1HZ LYS 35 1HZ LYS 35 4.373 2.770 -8.490 199 2HZ LYS 35 2HZ LYS 35 6.037 2.530 -8.302 200 3HZ LYS 35 3HZ LYS 35 5.469 3.779 -9.292 201 H ALA 36 H ALA 36 0.160 2.827 -3.008 202 HA ALA 36 HA ALA 36 0.505 3.949 -0.329 203 1HB ALA 36 1HB ALA 36 -1.731 3.586 -2.129 204 2HB ALA 36 2HB ALA 36 -1.573 4.644 -0.728 205 3HB ALA 36 3HB ALA 36 -2.085 2.971 -0.515 206 H ASN 37 H ASN 37 0.414 2.745 1.525 207 HA ASN 37 HA ASN 37 1.104 -0.008 1.328 208 1HB ASN 37 1HB ASN 37 0.290 1.539 3.796 209 2HB ASN 37 2HB ASN 37 1.190 0.026 3.751 210 1HD2 ASN 37 1HD2 ASN 37 1.949 2.540 4.945 211 2HD2 ASN 37 2HD2 ASN 37 3.422 3.024 4.181 212 H THR 38 H THR 38 -1.886 1.564 1.274 213 HA THR 38 HA THR 38 -3.280 -0.961 1.491 214 HB THR 38 HB THR 38 -4.164 1.305 3.276 215 HG1 THR 38 HG1 THR 38 -2.257 0.650 4.149 216 1HG2 THR 38 1HG2 THR 38 -5.782 -0.535 2.579 217 2HG2 THR 38 2HG2 THR 38 -5.604 -0.208 4.303 218 3HG2 THR 38 3HG2 THR 38 -4.800 -1.603 3.582 219 H CYS 39 H CYS 39 -5.321 -0.950 0.518 220 HA CYS 39 HA CYS 39 -6.202 1.569 -0.701 221 1HB CYS 39 1HB CYS 39 -5.442 -0.962 -2.107 222 2HB CYS 39 2HB CYS 39 -6.766 0.008 -2.759 223 H THR 40 H THR 40 -8.435 1.603 -1.306 224 HA THR 40 HA THR 40 -10.116 -0.632 -0.533 225 HB THR 40 HB THR 40 -10.870 1.977 0.699 226 HG1 THR 40 HG1 THR 40 -8.725 1.717 1.363 227 1HG2 THR 40 1HG2 THR 40 -12.332 0.761 1.827 228 2HG2 THR 40 2HG2 THR 40 -11.081 -0.362 2.360 229 3HG2 THR 40 3HG2 THR 40 -11.882 -0.606 0.808 230 H GLY 41 H GLY 41 -10.973 -0.760 -2.580 231 1HA GLY 41 1HA GLY 41 -12.589 -0.236 -4.172 232 2HA GLY 41 2HA GLY 41 -12.937 1.234 -3.270 233 H SER 42 H SER 42 -9.870 0.133 -4.706 234 HA SER 42 HA SER 42 -10.018 2.527 -6.423 235 1HB SER 42 1HB SER 42 -7.302 1.708 -5.632 236 2HB SER 42 2HB SER 42 -8.025 3.314 -5.657 237 HG SER 42 HG SER 42 -8.335 1.341 -3.642 238 H THR 43 H THR 43 -7.394 1.833 -7.605 239 HA THR 43 HA THR 43 -7.895 -0.810 -8.680 240 HB THR 43 HB THR 43 -8.090 -0.235 -10.896 241 HG1 THR 43 HG1 THR 43 -7.318 1.562 -11.781 242 1HG2 THR 43 1HG2 THR 43 -10.152 0.320 -9.958 243 2HG2 THR 43 2HG2 THR 43 -9.745 1.666 -11.025 244 3HG2 THR 43 3HG2 THR 43 -9.539 1.828 -9.277 245 H ASP 44 H ASP 44 -5.805 1.820 -9.760 246 HA ASP 44 HA ASP 44 -3.531 0.225 -10.071 247 1HB ASP 44 1HB ASP 44 -4.139 3.121 -10.119 248 2HB ASP 44 2HB ASP 44 -2.469 2.703 -9.752 249 H CYS 45 H CYS 45 -3.551 -0.943 -8.111 250 HA CYS 45 HA CYS 45 -2.177 0.440 -5.901 251 1HB CYS 45 1HB CYS 45 -4.478 -1.510 -5.730 252 2HB CYS 45 2HB CYS 45 -3.477 -1.068 -4.345 253 H ASN 46 H ASN 46 -0.276 -0.481 -6.951 254 HA ASN 46 HA ASN 46 0.037 -3.337 -7.008 255 1HB ASN 46 1HB ASN 46 1.140 -1.973 -8.691 256 2HB ASN 46 2HB ASN 46 2.031 -1.105 -7.438 257 1HD2 ASN 46 1HD2 ASN 46 2.361 -3.353 -9.730 258 2HD2 ASN 46 2HD2 ASN 46 3.631 -4.310 -9.055 259 H THR 47 H THR 47 1.267 -0.681 -4.955 260 HA THR 47 HA THR 47 2.626 -2.640 -3.278 261 HB THR 47 HB THR 47 3.476 -0.253 -4.006 262 HG1 THR 47 HG1 THR 47 4.966 -0.977 -2.752 263 1HG2 THR 47 1HG2 THR 47 2.103 0.383 -1.406 264 2HG2 THR 47 2HG2 THR 47 1.650 1.022 -2.986 265 3HG2 THR 47 3HG2 THR 47 3.220 1.424 -2.289 266 H ALA 48 H ALA 48 -0.475 -1.773 -3.455 267 HA ALA 48 HA ALA 48 -1.132 -1.027 -0.802 268 1HB ALA 48 1HB ALA 48 -2.802 -2.362 -2.924 269 2HB ALA 48 2HB ALA 48 -2.688 -0.634 -2.592 270 3HB ALA 48 3HB ALA 48 -3.428 -1.711 -1.409 271 H GLN 49 H GLN 49 -1.649 -2.202 0.975 272 HA GLN 49 HA GLN 49 -0.853 -5.001 0.954 273 1HB GLN 49 1HB GLN 49 -0.163 -3.248 2.717 274 2HB GLN 49 2HB GLN 49 -1.781 -3.465 3.368 275 1HG GLN 49 1HG GLN 49 -0.836 -5.059 4.610 276 2HG GLN 49 2HG GLN 49 -0.953 -6.038 3.149 277 1HE2 GLN 49 1HE2 GLN 49 0.982 -5.454 1.584 278 2HE2 GLN 49 2HE2 GLN 49 2.536 -5.550 2.333 279 H THR 50 H THR 50 -3.666 -3.430 0.319 280 HA THR 50 HA THR 50 -5.245 -5.728 0.443 281 HB THR 50 HB THR 50 -4.940 -4.948 2.947 282 HG1 THR 50 HG1 THR 50 -6.271 -6.592 2.744 283 1HG2 THR 50 1HG2 THR 50 -5.880 -2.643 2.251 284 2HG2 THR 50 2HG2 THR 50 -6.384 -3.380 3.776 285 3HG2 THR 50 3HG2 THR 50 -7.442 -3.457 2.364 286 H CYS 51 H CYS 51 -7.444 -5.350 -0.252 287 HA CYS 51 HA CYS 51 -8.453 -2.771 -0.829 288 1HB CYS 51 1HB CYS 51 -8.354 -3.555 -3.472 289 2HB CYS 51 2HB CYS 51 -7.331 -2.329 -2.727 290 H THR 52 H THR 52 -10.379 -3.061 -2.544 291 HA THR 52 HA THR 52 -11.549 -5.720 -2.290 292 HB THR 52 HB THR 52 -12.181 -4.433 -0.249 293 HG1 THR 52 HG1 THR 52 -13.729 -5.828 -0.500 294 1HG2 THR 52 1HG2 THR 52 -12.759 -2.369 -2.078 295 2HG2 THR 52 2HG2 THR 52 -12.944 -2.369 -0.324 296 3HG2 THR 52 3HG2 THR 52 -14.283 -2.880 -1.353 297 H ASN 53 H ASN 53 -10.707 -3.668 -4.448 298 HA ASN 53 HA ASN 53 -12.463 -4.436 -6.427 299 1HB ASN 53 1HB ASN 53 -13.541 -2.292 -4.774 300 2HB ASN 53 2HB ASN 53 -13.440 -1.827 -6.474 301 1HD2 ASN 53 1HD2 ASN 53 -14.128 -3.801 -7.940 302 2HD2 ASN 53 2HD2 ASN 53 -15.657 -4.483 -7.516 303 H SER 54 H SER 54 -9.713 -3.955 -6.156 304 HA SER 54 HA SER 54 -9.245 -1.608 -7.855 305 1HB SER 54 1HB SER 54 -6.897 -3.111 -6.912 306 2HB SER 54 2HB SER 54 -7.216 -1.374 -6.894 307 HG SER 54 HG SER 54 -8.690 -1.861 -5.108 308 H LYS 55 H LYS 55 -6.977 -2.228 -9.166 309 HA LYS 55 HA LYS 55 -7.520 -4.702 -10.647 310 1HB LYS 55 1HB LYS 55 -7.338 -1.905 -11.719 311 2HB LYS 55 2HB LYS 55 -6.862 -3.269 -12.727 312 1HG LYS 55 1HG LYS 55 -8.978 -3.904 -13.087 313 2HG LYS 55 2HG LYS 55 -9.462 -3.593 -11.419 314 1HD LYS 55 1HD LYS 55 -8.977 -1.070 -12.462 315 2HD LYS 55 2HD LYS 55 -9.761 -1.935 -13.784 316 1HE LYS 55 1HE LYS 55 -10.794 -1.413 -11.013 317 2HE LYS 55 2HE LYS 55 -11.509 -0.949 -12.556 318 1HZ LYS 55 1HZ LYS 55 -11.534 -3.537 -12.886 319 2HZ LYS 55 2HZ LYS 55 -12.775 -2.751 -12.047 320 3HZ LYS 55 3HZ LYS 55 -11.546 -3.538 -11.194 321 H ASP 56 H ASP 56 -5.427 -3.570 -8.697 322 HA ASP 56 HA ASP 56 -3.158 -4.667 -10.116 323 1HB ASP 56 1HB ASP 56 -3.490 -1.854 -9.853 324 2HB ASP 56 2HB ASP 56 -2.163 -2.340 -8.795 325 H CYS 57 H CYS 57 -4.934 -5.154 -7.691 326 HA CYS 57 HA CYS 57 -3.413 -4.816 -5.349 327 1HB CYS 57 1HB CYS 57 -5.538 -6.862 -6.015 328 2HB CYS 57 2HB CYS 57 -4.893 -6.577 -4.399 329 H PHE 58 H PHE 58 -1.324 -5.467 -6.501 330 HA PHE 58 HA PHE 58 -0.838 -8.261 -6.892 331 1HB PHE 58 1HB PHE 58 1.027 -5.889 -6.731 332 2HB PHE 58 2HB PHE 58 1.554 -7.526 -7.101 333 HD1 PHE 58 HD1 PHE 58 0.110 -8.642 -9.041 334 HD2 PHE 58 HD2 PHE 58 0.756 -4.486 -8.432 335 HE1 PHE 58 HE1 PHE 58 -0.292 -8.231 -11.427 336 HE2 PHE 58 HE2 PHE 58 0.350 -4.066 -10.812 337 HZ PHE 58 HZ PHE 58 -0.162 -5.944 -12.279 338 H GLU 59 H GLU 59 0.360 -5.906 -4.493 339 HA GLU 59 HA GLU 59 1.127 -8.140 -2.761 340 1HB GLU 59 1HB GLU 59 1.890 -5.231 -2.833 341 2HB GLU 59 2HB GLU 59 2.225 -6.234 -1.422 342 1HG GLU 59 1HG GLU 59 3.853 -7.411 -2.471 343 2HG GLU 59 2HG GLU 59 3.089 -7.272 -4.054 344 H ALA 60 H ALA 60 -1.647 -7.541 -3.034 345 HA ALA 60 HA ALA 60 -2.395 -6.097 -0.624 346 1HB ALA 60 1HB ALA 60 -4.745 -6.855 -1.408 347 2HB ALA 60 2HB ALA 60 -3.916 -7.279 -2.909 348 3HB ALA 60 3HB ALA 60 -3.886 -5.614 -2.326 349 H ASN 61 H ASN 61 -3.815 -7.037 0.965 350 HA ASN 61 HA ASN 61 -3.032 -9.771 1.597 351 1HB ASN 61 1HB ASN 61 -2.808 -7.980 3.309 352 2HB ASN 61 2HB ASN 61 -4.557 -7.780 3.286 353 1HD2 ASN 61 1HD2 ASN 61 -1.934 -9.531 4.535 354 2HD2 ASN 61 2HD2 ASN 61 -2.833 -10.684 5.454 355 H THR 62 H THR 62 -5.976 -7.826 1.140 356 HA THR 62 HA THR 62 -7.457 -10.368 0.904 357 HB THR 62 HB THR 62 -8.082 -8.988 2.902 358 HG1 THR 62 HG1 THR 62 -10.026 -9.456 0.901 359 1HG2 THR 62 1HG2 THR 62 -9.815 -7.173 1.504 360 2HG2 THR 62 2HG2 THR 62 -8.123 -6.848 1.127 361 3HG2 THR 62 3HG2 THR 62 -8.667 -6.860 2.805 362 H CYS 63 H CYS 63 -6.860 -10.352 -1.338 363 HA CYS 63 HA CYS 63 -7.670 -8.253 -3.077 364 1HB CYS 63 1HB CYS 63 -6.497 -10.950 -3.348 365 2HB CYS 63 2HB CYS 63 -7.461 -10.412 -4.725 366 H THR 64 H THR 64 -9.887 -8.103 -2.125 367 HA THR 64 HA THR 64 -11.744 -10.138 -3.067 368 HB THR 64 HB THR 64 -11.965 -7.791 -1.196 369 HG1 THR 64 HG1 THR 64 -12.248 -10.590 -0.957 370 1HG2 THR 64 1HG2 THR 64 -14.115 -9.044 -2.696 371 2HG2 THR 64 2HG2 THR 64 -14.086 -7.536 -1.784 372 3HG2 THR 64 3HG2 THR 64 -14.351 -9.067 -0.949 373 H ASP 65 H ASP 65 -12.669 -9.919 -4.995 374 HA ASP 65 HA ASP 65 -13.540 -9.016 -6.891 375 1HB ASP 65 1HB ASP 65 -14.067 -6.874 -4.868 376 2HB ASP 65 2HB ASP 65 -14.338 -6.513 -6.574 377 H SER 66 H SER 66 -10.742 -8.972 -6.524 378 HA SER 66 HA SER 66 -10.053 -6.653 -8.192 379 1HB SER 66 1HB SER 66 -7.856 -6.517 -7.018 380 2HB SER 66 2HB SER 66 -9.227 -6.144 -5.966 381 HG SER 66 HG SER 66 -8.697 -7.777 -4.766 382 H THR 67 H THR 67 -8.726 -7.069 -9.888 383 HA THR 67 HA THR 67 -7.945 -9.871 -10.269 384 HB THR 67 HB THR 67 -9.243 -9.519 -12.101 385 HG1 THR 67 HG1 THR 67 -7.929 -9.410 -13.754 386 1HG2 THR 67 1HG2 THR 67 -9.627 -7.417 -13.235 387 2HG2 THR 67 2HG2 THR 67 -8.471 -6.618 -12.170 388 3HG2 THR 67 3HG2 THR 67 -9.967 -7.277 -11.511 389 H ASN 68 H ASN 68 -5.913 -10.380 -11.210 390 HA ASN 68 HA ASN 68 -3.703 -10.076 -11.743 391 1HB ASN 68 1HB ASN 68 -4.706 -7.552 -12.267 392 2HB ASN 68 2HB ASN 68 -3.433 -7.232 -11.085 393 1HD2 ASN 68 1HD2 ASN 68 -3.792 -9.545 -13.760 394 2HD2 ASN 68 2HD2 ASN 68 -2.320 -9.113 -14.555 395 H CYS 69 H CYS 69 -4.618 -10.824 -9.190 396 HA CYS 69 HA CYS 69 -3.028 -9.402 -7.237 397 1HB CYS 69 1HB CYS 69 -5.335 -10.586 -6.885 398 2HB CYS 69 2HB CYS 69 -4.348 -12.038 -6.692 399 H TYR 70 H TYR 70 -1.307 -10.306 -6.037 400 HA TYR 70 HA TYR 70 0.066 -12.510 -7.428 401 1HB TYR 70 1HB TYR 70 1.003 -9.880 -6.469 402 2HB TYR 70 2HB TYR 70 2.082 -11.234 -6.121 403 HD1 TYR 70 HD1 TYR 70 0.015 -11.451 -9.106 404 HD2 TYR 70 HD2 TYR 70 3.769 -10.153 -7.579 405 HE1 TYR 70 HE1 TYR 70 0.898 -11.332 -11.396 406 HE2 TYR 70 HE2 TYR 70 4.661 -10.029 -9.867 407 HH TYR 70 HH TYR 70 3.509 -9.690 -12.278 408 H LYS 71 H LYS 71 -1.428 -13.683 -5.790 409 HA LYS 71 HA LYS 71 -1.471 -15.157 -4.062 410 1HB LYS 71 1HB LYS 71 1.321 -14.579 -4.393 411 2HB LYS 71 2HB LYS 71 0.962 -14.759 -2.677 412 1HG LYS 71 1HG LYS 71 -0.314 -16.823 -4.246 413 2HG LYS 71 2HG LYS 71 1.430 -16.785 -4.513 414 1HD LYS 71 1HD LYS 71 0.965 -18.270 -2.682 415 2HD LYS 71 2HD LYS 71 1.752 -16.823 -2.049 416 1HE LYS 71 1HE LYS 71 -0.078 -17.436 -0.604 417 2HE LYS 71 2HE LYS 71 -0.464 -15.927 -1.430 418 1HZ LYS 71 1HZ LYS 71 -2.357 -17.412 -1.415 419 2HZ LYS 71 2HZ LYS 71 -1.459 -18.625 -2.179 420 3HZ LYS 71 3HZ LYS 71 -1.812 -17.190 -3.001 421 H ALA 72 H ALA 72 -3.099 -13.747 -3.175 422 HA ALA 72 HA ALA 72 -2.198 -12.106 -0.909 423 1HB ALA 72 1HB ALA 72 -4.509 -11.996 -2.727 424 2HB ALA 72 2HB ALA 72 -3.628 -10.694 -1.931 425 3HB ALA 72 3HB ALA 72 -4.846 -11.609 -1.042 426 H THR 73 H THR 73 -4.236 -12.116 0.805 427 HA THR 73 HA THR 73 -4.210 -14.862 1.789 428 HB THR 73 HB THR 73 -4.648 -14.016 3.914 429 HG1 THR 73 HG1 THR 73 -6.465 -12.810 3.552 430 1HG2 THR 73 1HG2 THR 73 -3.334 -11.586 2.761 431 2HG2 THR 73 2HG2 THR 73 -2.485 -13.122 2.935 432 3HG2 THR 73 3HG2 THR 73 -3.129 -12.304 4.358 433 H ALA 74 H ALA 74 -6.388 -12.629 0.313 434 HA ALA 74 HA ALA 74 -8.556 -14.583 0.667 435 1HB ALA 74 1HB ALA 74 -10.167 -12.930 1.138 436 2HB ALA 74 2HB ALA 74 -9.062 -11.621 0.716 437 3HB ALA 74 3HB ALA 74 -8.793 -12.565 2.182 438 H CYS 75 H CYS 75 -9.753 -15.006 -1.120 439 HA CYS 75 HA CYS 75 -9.487 -13.265 -3.455 440 1HB CYS 75 1HB CYS 75 -9.196 -16.232 -3.810 441 2HB CYS 75 2HB CYS 75 -8.758 -14.937 -4.921 442 H THR 76 H THR 76 -11.607 -12.691 -3.568 443 HA THR 76 HA THR 76 -13.585 -14.871 -3.675 444 HB THR 76 HB THR 76 -14.009 -13.239 -1.893 445 HG1 THR 76 HG1 THR 76 -15.823 -13.070 -4.064 446 1HG2 THR 76 1HG2 THR 76 -13.793 -11.055 -2.115 447 2HG2 THR 76 2HG2 THR 76 -14.908 -11.035 -3.482 448 3HG2 THR 76 3HG2 THR 76 -13.189 -11.323 -3.749 449 H ASN 77 H ASN 77 -12.714 -15.143 -5.898 450 HA ASN 77 HA ASN 77 -13.233 -15.126 -8.124 451 1HB ASN 77 1HB ASN 77 -14.992 -12.712 -7.685 452 2HB ASN 77 2HB ASN 77 -15.065 -13.892 -8.997 453 1HD2 ASN 77 1HD2 ASN 77 -17.358 -13.411 -7.820 454 2HD2 ASN 77 2HD2 ASN 77 -17.826 -14.689 -6.756 455 H SER 78 H SER 78 -10.908 -14.359 -7.801 456 HA SER 78 HA SER 78 -10.589 -11.678 -8.987 457 1HB SER 78 1HB SER 78 -9.501 -11.437 -6.965 458 2HB SER 78 2HB SER 78 -9.029 -13.139 -6.898 459 HG SER 78 HG SER 78 -7.386 -11.382 -7.424 460 H SER 79 H SER 79 -8.389 -11.520 -10.176 461 HA SER 79 HA SER 79 -8.322 -13.697 -12.103 462 1HB SER 79 1HB SER 79 -8.464 -11.661 -13.224 463 2HB SER 79 2HB SER 79 -7.351 -10.870 -12.113 464 HG SER 79 HG SER 79 -5.653 -11.929 -13.067 465 H GLY 80 H GLY 80 -6.050 -11.898 -10.044 466 1HA GLY 80 1HA GLY 80 -3.983 -13.881 -10.656 467 2HA GLY 80 2HA GLY 80 -3.725 -12.342 -9.848 468 H CYS 81 H CYS 81 -6.229 -13.117 -8.182 469 HA CYS 81 HA CYS 81 -4.701 -14.344 -6.056 470 1HB CYS 81 1HB CYS 81 -6.514 -12.422 -5.953 471 2HB CYS 81 2HB CYS 81 -7.622 -13.786 -5.808 472 HA PRO 82 HA PRO 82 -6.046 -18.463 -7.224 473 1HB PRO 82 1HB PRO 82 -5.017 -19.188 -4.550 474 2HB PRO 82 2HB PRO 82 -4.556 -19.806 -6.142 475 1HG PRO 82 1HG PRO 82 -2.943 -18.179 -4.750 476 2HG PRO 82 2HG PRO 82 -3.053 -18.093 -6.519 477 1HD PRO 82 1HD PRO 82 -4.281 -16.312 -4.451 478 2HD PRO 82 2HD PRO 82 -3.547 -15.889 -6.013 479 H GLY 83 H GLY 83 -6.285 -17.984 -3.694 480 1HA GLY 83 1HA GLY 83 -8.404 -17.611 -2.592 481 2HA GLY 83 2HA GLY 83 -9.184 -18.478 -3.907 482 H HIS 84 H HIS 84 -10.205 -19.670 -2.134 483 HA HIS 84 HA HIS 84 -8.616 -21.386 -0.484 484 1HB HIS 84 1HB HIS 84 -11.356 -20.598 -0.644 485 2HB HIS 84 2HB HIS 84 -11.290 -22.356 -0.660 486 HD1 HIS 84 HD1 HIS 84 -11.274 -23.383 1.587 487 HD2 HIS 84 HD2 HIS 84 -9.706 -19.534 1.638 488 HE1 HIS 84 HE1 HIS 84 -10.763 -22.896 4.001 489 HE2 HIS 84 HE2 HIS 84 -9.853 -20.547 4.014 Start of MODEL 18 1 1H GLN 1 1H GLN 1 -7.640 18.649 6.534 2 2H GLN 1 2H GLN 1 -6.294 18.777 5.477 3 3H GLN 1 3H GLN 1 -7.253 17.354 5.481 4 HA GLN 1 HA GLN 1 -9.048 18.414 4.530 5 1HB GLN 1 1HB GLN 1 -9.114 20.840 4.217 6 2HB GLN 1 2HB GLN 1 -8.902 20.437 5.916 7 1HG GLN 1 1HG GLN 1 -6.955 21.502 6.036 8 2HG GLN 1 2HG GLN 1 -6.376 20.793 4.529 9 1HE2 GLN 1 1HE2 GLN 1 -6.270 22.038 2.779 10 2HE2 GLN 1 2HE2 GLN 1 -6.917 23.635 2.648 11 H CYS 2 H CYS 2 -7.502 16.919 3.220 12 HA CYS 2 HA CYS 2 -6.441 18.484 0.960 13 1HB CYS 2 1HB CYS 2 -5.104 16.579 2.603 14 2HB CYS 2 2HB CYS 2 -5.275 15.878 0.998 15 H THR 3 H THR 3 -8.057 18.371 -0.496 16 HA THR 3 HA THR 3 -8.739 15.728 -1.526 17 HB THR 3 HB THR 3 -11.190 16.777 -1.696 18 HG1 THR 3 HG1 THR 3 -10.404 18.663 -0.490 19 1HG2 THR 3 1HG2 THR 3 -10.563 14.629 -0.600 20 2HG2 THR 3 2HG2 THR 3 -11.886 15.498 0.177 21 3HG2 THR 3 3HG2 THR 3 -10.270 15.540 0.882 22 H GLY 4 H GLY 4 -9.179 15.693 -3.705 23 1HA GLY 4 1HA GLY 4 -9.197 18.296 -5.096 24 2HA GLY 4 2HA GLY 4 -8.106 17.011 -5.607 25 H GLY 5 H GLY 5 -9.827 14.812 -5.357 26 1HA GLY 5 1HA GLY 5 -11.888 13.962 -6.194 27 2HA GLY 5 2HA GLY 5 -12.100 15.453 -7.100 28 H ALA 6 H ALA 6 -9.367 15.429 -8.138 29 HA ALA 6 HA ALA 6 -9.183 13.001 -9.714 30 1HB ALA 6 1HB ALA 6 -9.192 15.414 -11.404 31 2HB ALA 6 2HB ALA 6 -10.758 14.926 -10.755 32 3HB ALA 6 3HB ALA 6 -9.816 13.796 -11.728 33 H ASP 7 H ASP 7 -8.015 16.353 -9.435 34 HA ASP 7 HA ASP 7 -5.299 15.398 -10.004 35 1HB ASP 7 1HB ASP 7 -6.308 17.317 -11.334 36 2HB ASP 7 2HB ASP 7 -6.203 18.276 -9.855 37 H CYS 8 H CYS 8 -3.735 15.437 -8.500 38 HA CYS 8 HA CYS 8 -4.366 16.694 -5.908 39 1HB CYS 8 1HB CYS 8 -3.233 14.014 -6.572 40 2HB CYS 8 2HB CYS 8 -2.688 14.811 -5.094 41 H THR 9 H THR 9 -2.816 17.890 -4.921 42 HA THR 9 HA THR 9 -0.075 17.858 -5.789 43 HB THR 9 HB THR 9 -1.003 19.238 -7.556 44 HG1 THR 9 HG1 THR 9 0.947 20.005 -6.973 45 1HG2 THR 9 1HG2 THR 9 -2.319 21.105 -7.297 46 2HG2 THR 9 2HG2 THR 9 -1.887 21.306 -5.599 47 3HG2 THR 9 3HG2 THR 9 -2.983 20.012 -6.083 48 H SER 10 H SER 10 1.187 18.344 -4.120 49 HA SER 10 HA SER 10 1.966 19.382 -2.226 50 1HB SER 10 1HB SER 10 -0.682 20.632 -1.605 51 2HB SER 10 2HB SER 10 0.944 21.240 -1.294 52 HG SER 10 HG SER 10 -0.652 21.551 -3.494 53 H CYS 11 H CYS 11 -0.810 17.417 -2.448 54 HA CYS 11 HA CYS 11 -1.074 16.971 0.396 55 1HB CYS 11 1HB CYS 11 -2.322 15.588 -1.987 56 2HB CYS 11 2HB CYS 11 -2.697 15.202 -0.311 57 H THR 12 H THR 12 0.028 15.527 1.560 58 HA THR 12 HA THR 12 1.271 13.249 0.190 59 HB THR 12 HB THR 12 3.361 13.567 1.368 60 HG1 THR 12 HG1 THR 12 2.640 14.529 3.256 61 1HG2 THR 12 1HG2 THR 12 4.203 15.059 -0.048 62 2HG2 THR 12 2HG2 THR 12 3.138 16.342 0.528 63 3HG2 THR 12 3HG2 THR 12 2.560 15.191 -0.678 64 H GLY 13 H GLY 13 -1.102 13.560 1.907 65 1HA GLY 13 1HA GLY 13 -0.242 11.838 4.150 66 2HA GLY 13 2HA GLY 13 -1.560 12.994 4.277 67 H ALA 14 H ALA 14 -3.456 12.007 4.344 68 HA ALA 14 HA ALA 14 -3.816 9.359 3.271 69 1HB ALA 14 1HB ALA 14 -5.934 11.163 4.425 70 2HB ALA 14 2HB ALA 14 -4.851 10.176 5.407 71 3HB ALA 14 3HB ALA 14 -5.970 9.406 4.282 72 H CYS 15 H CYS 15 -4.122 9.060 1.164 73 HA CYS 15 HA CYS 15 -5.294 11.141 -0.478 74 1HB CYS 15 1HB CYS 15 -3.810 8.615 -0.964 75 2HB CYS 15 2HB CYS 15 -4.938 9.122 -2.216 76 H THR 16 H THR 16 -7.186 10.971 -1.663 77 HA THR 16 HA THR 16 -8.929 8.674 -1.127 78 HB THR 16 HB THR 16 -10.776 10.027 -0.488 79 HG1 THR 16 HG1 THR 16 -9.175 12.211 -1.302 80 1HG2 THR 16 1HG2 THR 16 -8.926 9.766 1.247 81 2HG2 THR 16 2HG2 THR 16 -10.142 11.014 1.520 82 3HG2 THR 16 3HG2 THR 16 -8.547 11.454 0.907 83 H GLY 17 H GLY 17 -11.209 9.982 -2.430 84 1HA GLY 17 1HA GLY 17 -10.883 9.170 -5.047 85 2HA GLY 17 2HA GLY 17 -12.063 10.377 -4.534 86 H CYS 18 H CYS 18 -8.895 9.842 -5.887 87 HA CYS 18 HA CYS 18 -8.934 12.532 -7.005 88 1HB CYS 18 1HB CYS 18 -7.698 12.659 -4.842 89 2HB CYS 18 2HB CYS 18 -6.545 11.485 -5.471 90 H GLY 19 H GLY 19 -6.259 10.222 -6.728 91 1HA GLY 19 1HA GLY 19 -6.316 8.621 -8.815 92 2HA GLY 19 2HA GLY 19 -6.080 10.158 -9.644 93 H ASN 20 H ASN 20 -4.086 11.199 -9.517 94 HA ASN 20 HA ASN 20 -1.881 9.448 -8.877 95 1HB ASN 20 1HB ASN 20 -1.483 10.588 -10.856 96 2HB ASN 20 2HB ASN 20 -2.154 12.098 -10.250 97 1HD2 ASN 20 1HD2 ASN 20 0.550 9.862 -9.783 98 2HD2 ASN 20 2HD2 ASN 20 1.716 11.077 -9.398 99 H CYS 21 H CYS 21 -0.813 9.409 -7.050 100 HA CYS 21 HA CYS 21 -0.922 11.761 -5.276 101 1HB CYS 21 1HB CYS 21 -1.049 8.826 -4.573 102 2HB CYS 21 2HB CYS 21 -0.668 10.073 -3.384 103 HA PRO 22 HA PRO 22 3.476 11.500 -5.361 104 1HB PRO 22 1HB PRO 22 4.098 13.006 -3.200 105 2HB PRO 22 2HB PRO 22 3.454 13.686 -4.693 106 1HG PRO 22 1HG PRO 22 2.124 13.257 -2.089 107 2HG PRO 22 2HG PRO 22 1.784 14.457 -3.343 108 1HD PRO 22 1HD PRO 22 0.369 12.060 -2.852 109 2HD PRO 22 2HD PRO 22 0.175 13.144 -4.240 110 H ASN 23 H ASN 23 3.345 11.771 -1.870 111 HA ASN 23 HA ASN 23 4.538 9.090 -1.685 112 1HB ASN 23 1HB ASN 23 5.042 11.651 -0.235 113 2HB ASN 23 2HB ASN 23 5.281 10.136 0.640 114 1HD2 ASN 23 1HD2 ASN 23 5.776 10.301 -2.790 115 2HD2 ASN 23 2HD2 ASN 23 7.500 10.192 -2.752 116 H ALA 24 H ALA 24 1.815 9.327 -1.835 117 HA ALA 24 HA ALA 24 0.570 9.395 0.729 118 1HB ALA 24 1HB ALA 24 -0.600 9.865 -1.412 119 2HB ALA 24 2HB ALA 24 -1.424 8.684 -0.395 120 3HB ALA 24 3HB ALA 24 -0.498 8.147 -1.796 121 H VAL 25 H VAL 25 0.290 7.839 2.194 122 HA VAL 25 HA VAL 25 1.461 5.219 1.672 123 HB VAL 25 HB VAL 25 2.094 6.398 3.738 124 1HG1 VAL 25 1HG1 VAL 25 -0.449 5.888 5.104 125 2HG1 VAL 25 2HG1 VAL 25 -0.513 7.163 3.887 126 3HG1 VAL 25 3HG1 VAL 25 0.643 7.268 5.213 127 1HG2 VAL 25 1HG2 VAL 25 2.277 4.022 3.783 128 2HG2 VAL 25 2HG2 VAL 25 0.549 3.835 4.077 129 3HG2 VAL 25 3HG2 VAL 25 1.584 4.524 5.327 130 H THR 26 H THR 26 -1.628 6.730 2.177 131 HA THR 26 HA THR 26 -2.921 4.124 1.777 132 HB THR 26 HB THR 26 -4.405 6.040 3.463 133 HG1 THR 26 HG1 THR 26 -2.148 4.660 4.484 134 1HG2 THR 26 1HG2 THR 26 -5.301 4.196 4.452 135 2HG2 THR 26 2HG2 THR 26 -3.840 3.232 4.238 136 3HG2 THR 26 3HG2 THR 26 -4.906 3.535 2.865 137 H CYS 27 H CYS 27 -4.640 4.125 0.409 138 HA CYS 27 HA CYS 27 -5.520 6.732 -0.638 139 1HB CYS 27 1HB CYS 27 -4.576 4.307 -2.101 140 2HB CYS 27 2HB CYS 27 -5.877 5.261 -2.821 141 H THR 28 H THR 28 -7.606 7.047 -0.333 142 HA THR 28 HA THR 28 -9.351 4.746 0.142 143 HB THR 28 HB THR 28 -10.364 7.524 0.437 144 HG1 THR 28 HG1 THR 28 -8.403 7.830 1.386 145 1HG2 THR 28 1HG2 THR 28 -11.680 5.495 1.069 146 2HG2 THR 28 2HG2 THR 28 -11.474 6.686 2.354 147 3HG2 THR 28 3HG2 THR 28 -10.503 5.214 2.351 148 H ASN 29 H ASN 29 -9.546 4.095 -2.044 149 HA ASN 29 HA ASN 29 -10.821 3.881 -3.893 150 1HB ASN 29 1HB ASN 29 -12.318 5.726 -2.469 151 2HB ASN 29 2HB ASN 29 -11.997 6.556 -3.993 152 1HD2 ASN 29 1HD2 ASN 29 -13.518 3.827 -2.472 153 2HD2 ASN 29 2HD2 ASN 29 -14.494 3.364 -3.820 154 H SER 30 H SER 30 -11.231 5.354 -5.951 155 HA SER 30 HA SER 30 -10.383 6.669 -7.648 156 1HB SER 30 1HB SER 30 -9.221 7.883 -5.482 157 2HB SER 30 2HB SER 30 -7.812 7.356 -6.401 158 HG SER 30 HG SER 30 -9.979 8.874 -7.432 159 H GLN 31 H GLN 31 -7.801 6.874 -8.591 160 HA GLN 31 HA GLN 31 -6.790 4.120 -8.676 161 1HB GLN 31 1HB GLN 31 -6.427 4.902 -11.267 162 2HB GLN 31 2HB GLN 31 -7.761 3.898 -10.702 163 1HG GLN 31 1HG GLN 31 -8.120 6.834 -10.573 164 2HG GLN 31 2HG GLN 31 -8.114 6.084 -12.168 165 1HE2 GLN 31 1HE2 GLN 31 -10.258 6.436 -12.585 166 2HE2 GLN 31 2HE2 GLN 31 -11.533 5.634 -11.737 167 H HIS 32 H HIS 32 -4.776 4.390 -10.475 168 HA HIS 32 HA HIS 32 -2.597 5.019 -10.627 169 1HB HIS 32 1HB HIS 32 -4.023 7.631 -10.257 170 2HB HIS 32 2HB HIS 32 -2.259 7.593 -10.332 171 HD1 HIS 32 HD1 HIS 32 -5.099 6.134 -12.423 172 HD2 HIS 32 HD2 HIS 32 -1.405 7.985 -12.857 173 HE1 HIS 32 HE1 HIS 32 -4.736 6.337 -14.902 174 HE2 HIS 32 HE2 HIS 32 -2.457 7.385 -15.142 175 H CYS 33 H CYS 33 -3.709 4.257 -7.968 176 HA CYS 33 HA CYS 33 -1.850 5.697 -6.205 177 1HB CYS 33 1HB CYS 33 -4.415 4.235 -5.758 178 2HB CYS 33 2HB CYS 33 -3.227 4.248 -4.452 179 H VAL 34 H VAL 34 -0.810 3.857 -8.044 180 HA VAL 34 HA VAL 34 -0.469 1.253 -7.121 181 HB VAL 34 HB VAL 34 1.738 1.352 -8.402 182 1HG1 VAL 34 1HG1 VAL 34 -0.798 0.934 -9.214 183 2HG1 VAL 34 2HG1 VAL 34 0.607 0.793 -10.270 184 3HG1 VAL 34 3HG1 VAL 34 -0.347 2.277 -10.264 185 1HG2 VAL 34 1HG2 VAL 34 1.534 4.027 -8.090 186 2HG2 VAL 34 2HG2 VAL 34 0.842 3.838 -9.701 187 3HG2 VAL 34 3HG2 VAL 34 2.472 3.254 -9.367 188 H LYS 35 H LYS 35 0.923 4.206 -5.971 189 HA LYS 35 HA LYS 35 2.924 2.727 -4.421 190 1HB LYS 35 1HB LYS 35 3.588 4.755 -5.764 191 2HB LYS 35 2HB LYS 35 2.625 5.722 -4.655 192 1HG LYS 35 1HG LYS 35 4.486 5.934 -3.457 193 2HG LYS 35 2HG LYS 35 4.227 4.259 -2.965 194 1HD LYS 35 1HD LYS 35 5.932 3.497 -4.226 195 2HD LYS 35 2HD LYS 35 5.565 4.592 -5.561 196 1HE LYS 35 1HE LYS 35 7.772 4.979 -4.416 197 2HE LYS 35 2HE LYS 35 6.713 6.386 -4.522 198 1HZ LYS 35 1HZ LYS 35 6.550 4.721 -2.121 199 2HZ LYS 35 2HZ LYS 35 6.342 6.391 -2.293 200 3HZ LYS 35 3HZ LYS 35 7.898 5.729 -2.293 201 H ALA 36 H ALA 36 0.098 2.599 -3.775 202 HA ALA 36 HA ALA 36 0.040 4.027 -1.200 203 1HB ALA 36 1HB ALA 36 -1.858 4.622 -2.489 204 2HB ALA 36 2HB ALA 36 -2.423 3.492 -1.258 205 3HB ALA 36 3HB ALA 36 -2.181 2.942 -2.917 206 H ASN 37 H ASN 37 0.274 2.893 0.612 207 HA ASN 37 HA ASN 37 0.819 0.134 0.611 208 1HB ASN 37 1HB ASN 37 0.013 1.822 2.987 209 2HB ASN 37 2HB ASN 37 0.918 0.312 3.022 210 1HD2 ASN 37 1HD2 ASN 37 2.853 0.873 3.762 211 2HD2 ASN 37 2HD2 ASN 37 3.864 2.102 3.090 212 H THR 38 H THR 38 -2.109 1.951 1.378 213 HA THR 38 HA THR 38 -3.588 -0.591 1.359 214 HB THR 38 HB THR 38 -4.663 1.564 3.081 215 HG1 THR 38 HG1 THR 38 -2.389 0.041 3.818 216 1HG2 THR 38 1HG2 THR 38 -5.699 -0.094 4.168 217 2HG2 THR 38 2HG2 THR 38 -4.286 -1.147 4.127 218 3HG2 THR 38 3HG2 THR 38 -5.334 -1.022 2.715 219 H CYS 39 H CYS 39 -5.430 -0.605 0.181 220 HA CYS 39 HA CYS 39 -6.344 1.970 -0.920 221 1HB CYS 39 1HB CYS 39 -6.307 -0.662 -2.407 222 2HB CYS 39 2HB CYS 39 -6.769 0.914 -3.053 223 H THR 40 H THR 40 -8.546 2.182 -1.357 224 HA THR 40 HA THR 40 -10.335 0.050 -0.456 225 HB THR 40 HB THR 40 -10.585 2.904 0.517 226 HG1 THR 40 HG1 THR 40 -9.424 2.354 2.163 227 1HG2 THR 40 1HG2 THR 40 -12.267 0.500 0.798 228 2HG2 THR 40 2HG2 THR 40 -12.709 2.207 0.790 229 3HG2 THR 40 3HG2 THR 40 -12.028 1.479 2.245 230 H GLY 41 H GLY 41 -11.087 -0.268 -2.526 231 1HA GLY 41 1HA GLY 41 -12.647 0.099 -4.210 232 2HA GLY 41 2HA GLY 41 -12.986 1.672 -3.505 233 H SER 42 H SER 42 -9.984 0.230 -4.730 234 HA SER 42 HA SER 42 -9.910 2.352 -6.748 235 1HB SER 42 1HB SER 42 -7.530 1.498 -5.064 236 2HB SER 42 2HB SER 42 -7.548 2.767 -6.286 237 HG SER 42 HG SER 42 -9.122 2.787 -3.926 238 H THR 43 H THR 43 -7.349 1.515 -7.771 239 HA THR 43 HA THR 43 -7.737 -1.306 -8.335 240 HB THR 43 HB THR 43 -8.034 -1.146 -10.598 241 HG1 THR 43 HG1 THR 43 -7.073 0.285 -11.809 242 1HG2 THR 43 1HG2 THR 43 -9.651 0.684 -11.100 243 2HG2 THR 43 2HG2 THR 43 -9.349 1.307 -9.475 244 3HG2 THR 43 3HG2 THR 43 -10.043 -0.302 -9.689 245 H ASP 44 H ASP 44 -5.769 1.133 -9.941 246 HA ASP 44 HA ASP 44 -3.439 -0.309 -10.116 247 1HB ASP 44 1HB ASP 44 -3.939 2.660 -10.041 248 2HB ASP 44 2HB ASP 44 -2.328 1.992 -10.281 249 H CYS 45 H CYS 45 -3.308 -1.344 -8.094 250 HA CYS 45 HA CYS 45 -1.843 0.219 -6.076 251 1HB CYS 45 1HB CYS 45 -4.097 -1.740 -5.631 252 2HB CYS 45 2HB CYS 45 -2.984 -1.257 -4.344 253 H ASN 46 H ASN 46 0.055 -0.719 -7.123 254 HA ASN 46 HA ASN 46 0.363 -3.599 -6.950 255 1HB ASN 46 1HB ASN 46 2.541 -3.225 -8.045 256 2HB ASN 46 2HB ASN 46 1.208 -2.492 -8.939 257 1HD2 ASN 46 1HD2 ASN 46 2.543 -1.048 -9.986 258 2HD2 ASN 46 2HD2 ASN 46 3.267 0.300 -9.185 259 H THR 47 H THR 47 1.384 -0.766 -5.176 260 HA THR 47 HA THR 47 3.334 -2.312 -3.659 261 HB THR 47 HB THR 47 3.560 0.174 -4.440 262 HG1 THR 47 HG1 THR 47 5.149 -0.717 -3.214 263 1HG2 THR 47 1HG2 THR 47 1.562 1.086 -3.429 264 2HG2 THR 47 2HG2 THR 47 3.000 1.794 -2.695 265 3HG2 THR 47 3HG2 THR 47 2.097 0.548 -1.836 266 H ALA 48 H ALA 48 0.062 -1.288 -3.418 267 HA ALA 48 HA ALA 48 -0.311 -1.132 -0.671 268 1HB ALA 48 1HB ALA 48 -1.931 -0.743 -2.709 269 2HB ALA 48 2HB ALA 48 -2.555 -1.135 -1.106 270 3HB ALA 48 3HB ALA 48 -2.428 -2.394 -2.334 271 H GLN 49 H GLN 49 -0.536 -2.552 0.950 272 HA GLN 49 HA GLN 49 0.167 -5.318 0.444 273 1HB GLN 49 1HB GLN 49 0.236 -5.524 2.885 274 2HB GLN 49 2HB GLN 49 1.179 -4.144 2.338 275 1HG GLN 49 1HG GLN 49 -0.287 -2.616 3.217 276 2HG GLN 49 2HG GLN 49 -1.652 -3.728 3.154 277 1HE2 GLN 49 1HE2 GLN 49 -2.004 -2.951 5.350 278 2HE2 GLN 49 2HE2 GLN 49 -1.155 -3.706 6.650 279 H THR 50 H THR 50 -2.639 -3.672 0.251 280 HA THR 50 HA THR 50 -4.277 -5.934 0.169 281 HB THR 50 HB THR 50 -3.868 -5.640 2.691 282 HG1 THR 50 HG1 THR 50 -5.706 -6.746 1.548 283 1HG2 THR 50 1HG2 THR 50 -4.251 -3.187 2.725 284 2HG2 THR 50 2HG2 THR 50 -5.219 -4.099 3.884 285 3HG2 THR 50 3HG2 THR 50 -5.954 -3.507 2.394 286 H CYS 51 H CYS 51 -6.601 -5.329 -0.143 287 HA CYS 51 HA CYS 51 -7.429 -2.656 -0.424 288 1HB CYS 51 1HB CYS 51 -7.375 -2.353 -2.831 289 2HB CYS 51 2HB CYS 51 -5.739 -2.662 -2.243 290 H THR 52 H THR 52 -9.249 -2.654 -2.338 291 HA THR 52 HA THR 52 -10.752 -5.114 -2.426 292 HB THR 52 HB THR 52 -11.307 -4.022 -0.199 293 HG1 THR 52 HG1 THR 52 -13.476 -4.266 -2.002 294 1HG2 THR 52 1HG2 THR 52 -12.956 -2.209 -0.247 295 2HG2 THR 52 2HG2 THR 52 -12.676 -2.022 -1.978 296 3HG2 THR 52 3HG2 THR 52 -11.374 -1.697 -0.834 297 H ASN 53 H ASN 53 -11.957 -5.206 -4.240 298 HA ASN 53 HA ASN 53 -12.844 -4.621 -6.254 299 1HB ASN 53 1HB ASN 53 -13.173 -1.924 -4.919 300 2HB ASN 53 2HB ASN 53 -13.935 -2.410 -6.435 301 1HD2 ASN 53 1HD2 ASN 53 -14.943 -1.662 -3.689 302 2HD2 ASN 53 2HD2 ASN 53 -16.046 -2.928 -3.286 303 H SER 54 H SER 54 -9.954 -4.287 -5.697 304 HA SER 54 HA SER 54 -9.230 -2.062 -7.449 305 1HB SER 54 1HB SER 54 -7.325 -3.953 -6.066 306 2HB SER 54 2HB SER 54 -6.997 -2.329 -6.683 307 HG SER 54 HG SER 54 -7.861 -1.478 -4.941 308 H LYS 55 H LYS 55 -6.999 -2.890 -8.719 309 HA LYS 55 HA LYS 55 -7.579 -5.399 -10.084 310 1HB LYS 55 1HB LYS 55 -7.513 -2.709 -11.455 311 2HB LYS 55 2HB LYS 55 -7.375 -4.239 -12.313 312 1HG LYS 55 1HG LYS 55 -9.574 -4.846 -11.842 313 2HG LYS 55 2HG LYS 55 -9.710 -3.684 -10.523 314 1HD LYS 55 1HD LYS 55 -10.824 -2.476 -12.073 315 2HD LYS 55 2HD LYS 55 -9.195 -2.010 -12.566 316 1HE LYS 55 1HE LYS 55 -9.925 -2.692 -14.593 317 2HE LYS 55 2HE LYS 55 -9.462 -4.277 -13.976 318 1HZ LYS 55 1HZ LYS 55 -11.587 -4.937 -13.844 319 2HZ LYS 55 2HZ LYS 55 -11.878 -3.697 -14.957 320 3HZ LYS 55 3HZ LYS 55 -12.151 -3.434 -13.309 321 H ASP 56 H ASP 56 -5.376 -3.981 -8.433 322 HA ASP 56 HA ASP 56 -3.217 -5.025 -10.051 323 1HB ASP 56 1HB ASP 56 -3.687 -2.188 -9.782 324 2HB ASP 56 2HB ASP 56 -2.102 -2.636 -9.142 325 H CYS 57 H CYS 57 -4.595 -5.440 -7.352 326 HA CYS 57 HA CYS 57 -2.636 -4.854 -5.376 327 1HB CYS 57 1HB CYS 57 -5.237 -6.105 -5.471 328 2HB CYS 57 2HB CYS 57 -4.132 -7.058 -4.475 329 H PHE 58 H PHE 58 -0.798 -5.582 -6.653 330 HA PHE 58 HA PHE 58 -0.364 -8.300 -7.283 331 1HB PHE 58 1HB PHE 58 1.513 -5.963 -6.945 332 2HB PHE 58 2HB PHE 58 2.063 -7.559 -7.434 333 HD1 PHE 58 HD1 PHE 58 3.014 -6.531 -9.368 334 HD2 PHE 58 HD2 PHE 58 -1.174 -6.457 -8.628 335 HE1 PHE 58 HE1 PHE 58 2.616 -5.935 -11.711 336 HE2 PHE 58 HE2 PHE 58 -1.577 -5.865 -10.975 337 HZ PHE 58 HZ PHE 58 0.329 -5.609 -12.482 338 H GLU 59 H GLU 59 1.258 -6.343 -4.771 339 HA GLU 59 HA GLU 59 1.894 -8.811 -3.341 340 1HB GLU 59 1HB GLU 59 2.873 -6.023 -2.728 341 2HB GLU 59 2HB GLU 59 3.544 -7.548 -2.150 342 1HG GLU 59 1HG GLU 59 4.483 -8.059 -4.213 343 2HG GLU 59 2HG GLU 59 3.446 -6.921 -5.074 344 H ALA 60 H ALA 60 -0.798 -8.017 -3.232 345 HA ALA 60 HA ALA 60 -1.119 -6.824 -0.583 346 1HB ALA 60 1HB ALA 60 -3.632 -7.134 -1.278 347 2HB ALA 60 2HB ALA 60 -2.937 -7.265 -2.896 348 3HB ALA 60 3HB ALA 60 -2.662 -5.814 -1.932 349 H ASN 61 H ASN 61 -2.263 -7.845 1.086 350 HA ASN 61 HA ASN 61 -2.054 -10.751 1.015 351 1HB ASN 61 1HB ASN 61 -2.757 -9.016 3.385 352 2HB ASN 61 2HB ASN 61 -2.186 -10.681 3.405 353 1HD2 ASN 61 1HD2 ASN 61 -0.138 -10.439 1.508 354 2HD2 ASN 61 2HD2 ASN 61 1.118 -9.466 2.187 355 H THR 62 H THR 62 -4.468 -8.214 1.358 356 HA THR 62 HA THR 62 -6.544 -10.285 1.107 357 HB THR 62 HB THR 62 -7.787 -8.244 2.510 358 HG1 THR 62 HG1 THR 62 -6.295 -7.262 3.581 359 1HG2 THR 62 1HG2 THR 62 -8.435 -10.250 3.298 360 2HG2 THR 62 2HG2 THR 62 -7.218 -9.896 4.524 361 3HG2 THR 62 3HG2 THR 62 -6.823 -10.950 3.166 362 H CYS 63 H CYS 63 -7.233 -9.996 -0.925 363 HA CYS 63 HA CYS 63 -8.112 -7.292 -1.680 364 1HB CYS 63 1HB CYS 63 -7.451 -7.771 -4.011 365 2HB CYS 63 2HB CYS 63 -6.071 -7.780 -2.912 366 H THR 64 H THR 64 -10.262 -7.451 -1.500 367 HA THR 64 HA THR 64 -11.624 -9.849 -2.463 368 HB THR 64 HB THR 64 -13.638 -8.341 -1.534 369 HG1 THR 64 HG1 THR 64 -11.451 -7.532 0.068 370 1HG2 THR 64 1HG2 THR 64 -12.356 -9.311 0.809 371 2HG2 THR 64 2HG2 THR 64 -12.106 -10.466 -0.500 372 3HG2 THR 64 3HG2 THR 64 -13.742 -9.975 -0.057 373 H ASP 65 H ASP 65 -12.808 -9.923 -4.281 374 HA ASP 65 HA ASP 65 -13.630 -9.329 -6.318 375 1HB ASP 65 1HB ASP 65 -14.291 -6.849 -4.726 376 2HB ASP 65 2HB ASP 65 -14.824 -7.089 -6.393 377 H SER 66 H SER 66 -10.871 -9.025 -6.018 378 HA SER 66 HA SER 66 -10.349 -6.746 -7.809 379 1HB SER 66 1HB SER 66 -9.426 -6.302 -5.558 380 2HB SER 66 2HB SER 66 -8.493 -7.801 -5.659 381 HG SER 66 HG SER 66 -7.210 -6.921 -7.169 382 H THR 67 H THR 67 -9.086 -7.150 -9.585 383 HA THR 67 HA THR 67 -8.421 -9.971 -10.036 384 HB THR 67 HB THR 67 -9.807 -9.168 -11.766 385 HG1 THR 67 HG1 THR 67 -8.409 -9.195 -13.576 386 1HG2 THR 67 1HG2 THR 67 -9.187 -7.165 -13.133 387 2HG2 THR 67 2HG2 THR 67 -8.046 -6.741 -11.856 388 3HG2 THR 67 3HG2 THR 67 -9.773 -6.824 -11.505 389 H ASN 68 H ASN 68 -6.438 -10.512 -11.161 390 HA ASN 68 HA ASN 68 -4.179 -10.482 -11.421 391 1HB ASN 68 1HB ASN 68 -4.659 -7.500 -11.379 392 2HB ASN 68 2HB ASN 68 -3.068 -8.215 -11.651 393 1HD2 ASN 68 1HD2 ASN 68 -6.391 -8.240 -12.853 394 2HD2 ASN 68 2HD2 ASN 68 -5.977 -8.523 -14.507 395 H CYS 69 H CYS 69 -5.006 -11.072 -8.905 396 HA CYS 69 HA CYS 69 -3.318 -9.499 -7.095 397 1HB CYS 69 1HB CYS 69 -5.851 -10.485 -6.730 398 2HB CYS 69 2HB CYS 69 -4.864 -11.715 -5.935 399 H TYR 70 H TYR 70 -1.331 -10.296 -7.860 400 HA TYR 70 HA TYR 70 -0.656 -13.009 -8.063 401 1HB TYR 70 1HB TYR 70 1.153 -10.644 -7.526 402 2HB TYR 70 2HB TYR 70 1.674 -12.235 -8.089 403 HD1 TYR 70 HD1 TYR 70 0.023 -12.980 -10.228 404 HD2 TYR 70 HD2 TYR 70 1.280 -9.051 -9.178 405 HE1 TYR 70 HE1 TYR 70 -0.296 -12.261 -12.557 406 HE2 TYR 70 HE2 TYR 70 0.962 -8.324 -11.505 407 HH TYR 70 HH TYR 70 0.835 -9.231 -13.719 408 H LYS 71 H LYS 71 -1.331 -14.115 -6.267 409 HA LYS 71 HA LYS 71 -0.849 -15.253 -4.333 410 1HB LYS 71 1HB LYS 71 1.538 -13.992 -4.767 411 2HB LYS 71 2HB LYS 71 1.072 -13.335 -3.198 412 1HG LYS 71 1HG LYS 71 1.359 -16.248 -3.910 413 2HG LYS 71 2HG LYS 71 2.452 -15.291 -2.905 414 1HD LYS 71 1HD LYS 71 -0.448 -15.551 -2.196 415 2HD LYS 71 2HD LYS 71 0.703 -16.814 -1.758 416 1HE LYS 71 1HE LYS 71 2.081 -14.757 -0.847 417 2HE LYS 71 2HE LYS 71 0.485 -14.011 -0.780 418 1HZ LYS 71 1HZ LYS 71 1.279 -16.551 0.539 419 2HZ LYS 71 2HZ LYS 71 -0.271 -15.877 0.577 420 3HZ LYS 71 3HZ LYS 71 1.019 -15.068 1.310 421 H ALA 72 H ALA 72 -3.005 -14.554 -3.823 422 HA ALA 72 HA ALA 72 -3.075 -12.484 -1.723 423 1HB ALA 72 1HB ALA 72 -5.515 -13.311 -3.244 424 2HB ALA 72 2HB ALA 72 -4.389 -12.141 -3.933 425 3HB ALA 72 3HB ALA 72 -5.183 -11.801 -2.395 426 H THR 73 H THR 73 -3.889 -13.020 0.237 427 HA THR 73 HA THR 73 -4.323 -15.813 0.792 428 HB THR 73 HB THR 73 -4.291 -15.219 3.085 429 HG1 THR 73 HG1 THR 73 -5.613 -13.573 3.397 430 1HG2 THR 73 1HG2 THR 73 -2.408 -13.603 3.327 431 2HG2 THR 73 2HG2 THR 73 -2.478 -13.353 1.583 432 3HG2 THR 73 3HG2 THR 73 -2.096 -14.948 2.231 433 H ALA 74 H ALA 74 -6.267 -12.856 1.229 434 HA ALA 74 HA ALA 74 -8.673 -14.526 1.426 435 1HB ALA 74 1HB ALA 74 -7.971 -12.580 3.070 436 2HB ALA 74 2HB ALA 74 -9.660 -12.875 2.661 437 3HB ALA 74 3HB ALA 74 -8.770 -11.584 1.854 438 H CYS 75 H CYS 75 -9.007 -15.016 -0.741 439 HA CYS 75 HA CYS 75 -9.710 -12.717 -2.445 440 1HB CYS 75 1HB CYS 75 -7.858 -14.847 -2.919 441 2HB CYS 75 2HB CYS 75 -9.182 -14.982 -4.079 442 H THR 76 H THR 76 -11.676 -12.682 -3.340 443 HA THR 76 HA THR 76 -13.292 -15.130 -3.344 444 HB THR 76 HB THR 76 -13.840 -13.819 -1.306 445 HG1 THR 76 HG1 THR 76 -15.446 -15.058 -2.469 446 1HG2 THR 76 1HG2 THR 76 -14.485 -11.671 -1.262 447 2HG2 THR 76 2HG2 THR 76 -15.277 -11.762 -2.836 448 3HG2 THR 76 3HG2 THR 76 -13.525 -11.576 -2.739 449 H ASN 77 H ASN 77 -13.747 -15.452 -5.428 450 HA ASN 77 HA ASN 77 -14.304 -15.077 -7.609 451 1HB ASN 77 1HB ASN 77 -15.872 -12.716 -6.556 452 2HB ASN 77 2HB ASN 77 -16.210 -13.682 -7.996 453 1HD2 ASN 77 1HD2 ASN 77 -15.807 -16.224 -6.898 454 2HD2 ASN 77 2HD2 ASN 77 -17.076 -16.537 -5.768 455 H SER 78 H SER 78 -11.855 -14.148 -7.102 456 HA SER 78 HA SER 78 -11.736 -11.563 -8.514 457 1HB SER 78 1HB SER 78 -9.302 -11.834 -7.201 458 2HB SER 78 2HB SER 78 -10.650 -10.807 -6.701 459 HG SER 78 HG SER 78 -10.442 -13.529 -5.950 460 H SER 79 H SER 79 -9.855 -11.246 -9.892 461 HA SER 79 HA SER 79 -9.079 -13.741 -11.200 462 1HB SER 79 1HB SER 79 -9.665 -11.073 -12.110 463 2HB SER 79 2HB SER 79 -8.064 -11.563 -12.662 464 HG SER 79 HG SER 79 -10.566 -12.584 -13.311 465 H GLY 80 H GLY 80 -6.821 -13.771 -12.161 466 1HA GLY 80 1HA GLY 80 -4.582 -14.032 -11.696 467 2HA GLY 80 2HA GLY 80 -4.665 -12.331 -11.250 468 H CYS 81 H CYS 81 -6.490 -14.741 -9.529 469 HA CYS 81 HA CYS 81 -4.519 -15.038 -7.440 470 1HB CYS 81 1HB CYS 81 -5.489 -13.753 -5.791 471 2HB CYS 81 2HB CYS 81 -5.880 -12.782 -7.209 472 HA PRO 82 HA PRO 82 -6.524 -18.750 -6.076 473 1HB PRO 82 1HB PRO 82 -7.976 -17.326 -3.882 474 2HB PRO 82 2HB PRO 82 -7.051 -18.836 -3.825 475 1HG PRO 82 1HG PRO 82 -5.990 -16.586 -2.902 476 2HG PRO 82 2HG PRO 82 -5.004 -17.734 -3.826 477 1HD PRO 82 1HD PRO 82 -6.143 -15.113 -4.660 478 2HD PRO 82 2HD PRO 82 -4.621 -15.887 -5.144 479 H GLY 83 H GLY 83 -7.848 -18.915 -7.913 480 1HA GLY 83 1HA GLY 83 -10.344 -19.605 -7.905 481 2HA GLY 83 2HA GLY 83 -10.590 -17.882 -7.664 482 H HIS 84 H HIS 84 -8.231 -19.535 -9.730 483 HA HIS 84 HA HIS 84 -9.157 -17.932 -11.984 484 1HB HIS 84 1HB HIS 84 -7.103 -18.831 -13.108 485 2HB HIS 84 2HB HIS 84 -6.778 -17.917 -11.639 486 HD1 HIS 84 HD1 HIS 84 -5.068 -18.993 -10.228 487 HD2 HIS 84 HD2 HIS 84 -7.275 -21.790 -12.365 488 HE1 HIS 84 HE1 HIS 84 -4.101 -21.230 -9.606 489 HE2 HIS 84 HE2 HIS 84 -5.501 -22.912 -10.854 Start of MODEL 19 1 1H GLN 1 1H GLN 1 -12.360 15.996 2.042 2 2H GLN 1 2H GLN 1 -10.733 15.533 1.748 3 3H GLN 1 3H GLN 1 -11.567 16.516 0.614 4 HA GLN 1 HA GLN 1 -11.821 18.151 2.480 5 1HB GLN 1 1HB GLN 1 -9.464 16.579 3.529 6 2HB GLN 1 2HB GLN 1 -10.248 17.961 4.281 7 1HG GLN 1 1HG GLN 1 -11.324 16.440 5.499 8 2HG GLN 1 2HG GLN 1 -12.319 16.211 4.061 9 1HE2 GLN 1 1HE2 GLN 1 -11.982 14.232 5.965 10 2HE2 GLN 1 2HE2 GLN 1 -11.089 12.926 5.271 11 H CYS 2 H CYS 2 -9.101 16.485 0.960 12 HA CYS 2 HA CYS 2 -8.182 19.083 -0.069 13 1HB CYS 2 1HB CYS 2 -5.826 18.095 0.084 14 2HB CYS 2 2HB CYS 2 -6.576 18.606 1.593 15 H THR 3 H THR 3 -9.877 17.583 -1.536 16 HA THR 3 HA THR 3 -8.154 16.228 -3.503 17 HB THR 3 HB THR 3 -9.804 14.725 -2.530 18 HG1 THR 3 HG1 THR 3 -10.577 13.960 -4.423 19 1HG2 THR 3 1HG2 THR 3 -11.493 16.480 -1.956 20 2HG2 THR 3 2HG2 THR 3 -12.144 15.015 -2.692 21 3HG2 THR 3 3HG2 THR 3 -11.963 16.481 -3.656 22 H GLY 4 H GLY 4 -8.144 16.905 -5.583 23 1HA GLY 4 1HA GLY 4 -9.817 19.261 -6.198 24 2HA GLY 4 2HA GLY 4 -8.220 18.961 -6.883 25 H GLY 5 H GLY 5 -8.046 17.818 -8.744 26 1HA GLY 5 1HA GLY 5 -10.218 16.144 -9.673 27 2HA GLY 5 2HA GLY 5 -10.006 17.630 -10.588 28 H ALA 6 H ALA 6 -8.956 14.433 -10.120 29 HA ALA 6 HA ALA 6 -7.569 13.100 -11.343 30 1HB ALA 6 1HB ALA 6 -6.820 15.431 -13.074 31 2HB ALA 6 2HB ALA 6 -8.384 14.629 -13.230 32 3HB ALA 6 3HB ALA 6 -6.895 13.719 -13.488 33 H ASP 7 H ASP 7 -6.634 15.471 -9.360 34 HA ASP 7 HA ASP 7 -3.939 14.481 -9.199 35 1HB ASP 7 1HB ASP 7 -4.247 16.616 -10.868 36 2HB ASP 7 2HB ASP 7 -3.924 17.426 -9.333 37 H CYS 8 H CYS 8 -2.943 14.945 -7.216 38 HA CYS 8 HA CYS 8 -4.438 16.557 -5.291 39 1HB CYS 8 1HB CYS 8 -4.307 13.650 -5.285 40 2HB CYS 8 2HB CYS 8 -3.667 14.338 -3.790 41 H THR 9 H THR 9 -2.785 18.042 -5.196 42 HA THR 9 HA THR 9 -0.229 17.053 -4.112 43 HB THR 9 HB THR 9 0.495 19.435 -5.125 44 HG1 THR 9 HG1 THR 9 -1.497 18.487 -6.904 45 1HG2 THR 9 1HG2 THR 9 1.574 17.305 -5.661 46 2HG2 THR 9 2HG2 THR 9 1.353 18.320 -7.086 47 3HG2 THR 9 3HG2 THR 9 0.279 16.949 -6.804 48 H SER 10 H SER 10 -2.629 17.836 -2.644 49 HA SER 10 HA SER 10 -1.658 20.264 -1.290 50 1HB SER 10 1HB SER 10 -4.400 19.133 -0.839 51 2HB SER 10 2HB SER 10 -3.846 20.802 -0.708 52 HG SER 10 HG SER 10 -4.744 20.930 -2.618 53 H CYS 11 H CYS 11 -2.680 16.938 -0.839 54 HA CYS 11 HA CYS 11 -1.914 17.099 1.996 55 1HB CYS 11 1HB CYS 11 -3.845 15.404 0.481 56 2HB CYS 11 2HB CYS 11 -3.063 14.703 1.893 57 H THR 12 H THR 12 -0.763 15.214 2.889 58 HA THR 12 HA THR 12 0.993 13.945 0.894 59 HB THR 12 HB THR 12 2.165 15.729 2.153 60 HG1 THR 12 HG1 THR 12 3.079 13.158 2.906 61 1HG2 THR 12 1HG2 THR 12 2.078 15.983 4.346 62 2HG2 THR 12 2HG2 THR 12 2.496 14.292 4.620 63 3HG2 THR 12 3HG2 THR 12 0.812 14.757 4.374 64 H GLY 13 H GLY 13 -0.879 13.642 3.809 65 1HA GLY 13 1HA GLY 13 0.084 11.092 4.599 66 2HA GLY 13 2HA GLY 13 -1.418 11.836 5.120 67 H ALA 14 H ALA 14 -3.193 11.822 3.425 68 HA ALA 14 HA ALA 14 -3.061 9.415 1.747 69 1HB ALA 14 1HB ALA 14 -5.317 8.766 2.479 70 2HB ALA 14 2HB ALA 14 -5.301 10.080 3.655 71 3HB ALA 14 3HB ALA 14 -4.156 8.747 3.805 72 H CYS 15 H CYS 15 -4.561 9.374 -0.008 73 HA CYS 15 HA CYS 15 -5.671 12.020 -0.679 74 1HB CYS 15 1HB CYS 15 -5.284 11.060 -3.128 75 2HB CYS 15 2HB CYS 15 -4.019 11.922 -2.262 76 H THR 16 H THR 16 -7.662 12.096 -1.697 77 HA THR 16 HA THR 16 -9.059 9.569 -2.174 78 HB THR 16 HB THR 16 -11.023 10.309 -0.932 79 HG1 THR 16 HG1 THR 16 -11.129 12.404 -0.753 80 1HG2 THR 16 1HG2 THR 16 -8.583 10.558 0.809 81 2HG2 THR 16 2HG2 THR 16 -9.349 9.043 0.331 82 3HG2 THR 16 3HG2 THR 16 -10.224 10.193 1.341 83 H GLY 17 H GLY 17 -10.391 9.620 -3.911 84 1HA GLY 17 1HA GLY 17 -11.372 10.410 -5.834 85 2HA GLY 17 2HA GLY 17 -11.776 11.842 -4.888 86 H CYS 18 H CYS 18 -8.695 10.468 -6.011 87 HA CYS 18 HA CYS 18 -8.251 12.833 -7.667 88 1HB CYS 18 1HB CYS 18 -6.709 12.112 -5.224 89 2HB CYS 18 2HB CYS 18 -5.800 12.714 -6.613 90 H GLY 19 H GLY 19 -7.463 12.253 -9.577 91 1HA GLY 19 1HA GLY 19 -6.886 9.584 -10.243 92 2HA GLY 19 2HA GLY 19 -6.524 10.987 -11.245 93 H ASN 20 H ASN 20 -4.901 11.941 -8.749 94 HA ASN 20 HA ASN 20 -2.606 10.145 -9.020 95 1HB ASN 20 1HB ASN 20 -2.753 12.503 -10.457 96 2HB ASN 20 2HB ASN 20 -1.814 12.959 -9.039 97 1HD2 ASN 20 1HD2 ASN 20 -0.832 12.899 -11.670 98 2HD2 ASN 20 2HD2 ASN 20 0.404 11.694 -11.754 99 H CYS 21 H CYS 21 -0.880 10.654 -7.428 100 HA CYS 21 HA CYS 21 -1.833 12.074 -5.052 101 1HB CYS 21 1HB CYS 21 -0.889 9.201 -5.097 102 2HB CYS 21 2HB CYS 21 -1.026 10.163 -3.623 103 HA PRO 22 HA PRO 22 2.405 13.294 -4.891 104 1HB PRO 22 1HB PRO 22 2.521 14.232 -2.345 105 2HB PRO 22 2HB PRO 22 1.687 15.070 -3.652 106 1HG PRO 22 1HG PRO 22 0.577 13.608 -1.359 107 2HG PRO 22 2HG PRO 22 -0.173 14.848 -2.373 108 1HD PRO 22 1HD PRO 22 -0.545 12.018 -2.494 109 2HD PRO 22 2HD PRO 22 -1.254 13.254 -3.547 110 H ASN 23 H ASN 23 1.798 12.098 -1.594 111 HA ASN 23 HA ASN 23 3.615 9.885 -1.936 112 1HB ASN 23 1HB ASN 23 4.821 10.932 0.270 113 2HB ASN 23 2HB ASN 23 5.440 11.104 -1.373 114 1HD2 ASN 23 1HD2 ASN 23 2.642 12.698 0.073 115 2HD2 ASN 23 2HD2 ASN 23 3.264 14.303 -0.061 116 H ALA 24 H ALA 24 0.963 9.817 -1.356 117 HA ALA 24 HA ALA 24 0.640 9.555 1.523 118 1HB ALA 24 1HB ALA 24 -1.340 10.369 0.827 119 2HB ALA 24 2HB ALA 24 -1.703 8.673 0.506 120 3HB ALA 24 3HB ALA 24 -1.154 9.720 -0.803 121 H VAL 25 H VAL 25 0.607 7.681 2.624 122 HA VAL 25 HA VAL 25 1.385 5.268 1.221 123 HB VAL 25 HB VAL 25 1.641 4.273 3.446 124 1HG1 VAL 25 1HG1 VAL 25 3.508 5.500 2.508 125 2HG1 VAL 25 2HG1 VAL 25 3.448 5.735 4.255 126 3HG1 VAL 25 3HG1 VAL 25 2.882 7.008 3.174 127 1HG2 VAL 25 1HG2 VAL 25 1.458 6.229 5.300 128 2HG2 VAL 25 2HG2 VAL 25 0.177 5.061 4.970 129 3HG2 VAL 25 3HG2 VAL 25 0.117 6.665 4.240 130 H THR 26 H THR 26 -1.515 6.642 1.643 131 HA THR 26 HA THR 26 -2.943 4.218 1.210 132 HB THR 26 HB THR 26 -4.132 5.460 3.579 133 HG1 THR 26 HG1 THR 26 -2.472 5.404 4.828 134 1HG2 THR 26 1HG2 THR 26 -3.321 2.626 2.987 135 2HG2 THR 26 2HG2 THR 26 -4.914 3.332 2.716 136 3HG2 THR 26 3HG2 THR 26 -4.291 3.162 4.357 137 H CYS 27 H CYS 27 -4.813 4.618 0.148 138 HA CYS 27 HA CYS 27 -5.897 7.345 0.236 139 1HB CYS 27 1HB CYS 27 -6.310 6.368 -2.395 140 2HB CYS 27 2HB CYS 27 -5.351 7.758 -1.894 141 H THR 28 H THR 28 -8.087 7.525 0.050 142 HA THR 28 HA THR 28 -9.587 5.017 0.239 143 HB THR 28 HB THR 28 -10.920 7.645 0.646 144 HG1 THR 28 HG1 THR 28 -9.055 6.564 2.489 145 1HG2 THR 28 1HG2 THR 28 -12.322 6.528 1.994 146 2HG2 THR 28 2HG2 THR 28 -11.042 5.528 2.681 147 3HG2 THR 28 3HG2 THR 28 -11.727 5.127 1.105 148 H ASN 29 H ASN 29 -9.731 4.437 -1.928 149 HA ASN 29 HA ASN 29 -10.850 4.273 -3.871 150 1HB ASN 29 1HB ASN 29 -12.848 5.286 -4.037 151 2HB ASN 29 2HB ASN 29 -12.485 6.051 -2.493 152 1HD2 ASN 29 1HD2 ASN 29 -12.257 8.205 -2.413 153 2HD2 ASN 29 2HD2 ASN 29 -12.318 9.253 -3.785 154 H SER 30 H SER 30 -11.043 5.729 -5.951 155 HA SER 30 HA SER 30 -10.042 7.087 -7.536 156 1HB SER 30 1HB SER 30 -9.089 8.273 -5.234 157 2HB SER 30 2HB SER 30 -7.614 7.796 -6.074 158 HG SER 30 HG SER 30 -8.665 8.813 -7.978 159 H GLN 31 H GLN 31 -7.348 7.329 -8.168 160 HA GLN 31 HA GLN 31 -6.382 4.551 -8.247 161 1HB GLN 31 1HB GLN 31 -7.629 5.662 -10.369 162 2HB GLN 31 2HB GLN 31 -5.978 6.197 -10.678 163 1HG GLN 31 1HG GLN 31 -5.270 4.137 -11.210 164 2HG GLN 31 2HG GLN 31 -6.268 3.357 -9.986 165 1HE2 GLN 31 1HE2 GLN 31 -8.766 4.037 -10.623 166 2HE2 GLN 31 2HE2 GLN 31 -9.187 3.467 -12.199 167 H HIS 32 H HIS 32 -4.147 4.840 -9.731 168 HA HIS 32 HA HIS 32 -1.970 5.472 -9.690 169 1HB HIS 32 1HB HIS 32 -3.431 7.977 -9.134 170 2HB HIS 32 2HB HIS 32 -1.727 7.973 -8.672 171 HD1 HIS 32 HD1 HIS 32 -3.887 7.326 -11.727 172 HD2 HIS 32 HD2 HIS 32 -0.008 8.435 -10.732 173 HE1 HIS 32 HE1 HIS 32 -2.772 7.896 -13.906 174 HE2 HIS 32 HE2 HIS 32 -0.400 8.478 -13.289 175 H CYS 33 H CYS 33 -3.293 4.241 -7.320 176 HA CYS 33 HA CYS 33 -1.659 5.288 -5.131 177 1HB CYS 33 1HB CYS 33 -3.913 3.280 -5.220 178 2HB CYS 33 2HB CYS 33 -2.971 3.608 -3.763 179 H VAL 34 H VAL 34 -0.244 4.074 -7.211 180 HA VAL 34 HA VAL 34 0.316 1.354 -6.869 181 HB VAL 34 HB VAL 34 2.386 1.756 -8.078 182 1HG1 VAL 34 1HG1 VAL 34 0.221 3.511 -9.220 183 2HG1 VAL 34 2HG1 VAL 34 0.184 1.747 -9.259 184 3HG1 VAL 34 3HG1 VAL 34 1.463 2.622 -10.102 185 1HG2 VAL 34 1HG2 VAL 34 3.123 4.000 -8.663 186 2HG2 VAL 34 2HG2 VAL 34 3.073 3.808 -6.910 187 3HG2 VAL 34 3HG2 VAL 34 1.792 4.697 -7.738 188 H LYS 35 H LYS 35 1.621 4.205 -5.284 189 HA LYS 35 HA LYS 35 3.417 2.513 -3.710 190 1HB LYS 35 1HB LYS 35 4.765 4.348 -3.397 191 2HB LYS 35 2HB LYS 35 4.063 4.736 -4.955 192 1HG LYS 35 1HG LYS 35 2.280 5.990 -3.502 193 2HG LYS 35 2HG LYS 35 3.568 5.973 -2.296 194 1HD LYS 35 1HD LYS 35 3.808 7.052 -5.104 195 2HD LYS 35 2HD LYS 35 3.602 8.024 -3.646 196 1HE LYS 35 1HE LYS 35 5.828 8.097 -3.540 197 2HE LYS 35 2HE LYS 35 5.757 6.406 -3.046 198 1HZ LYS 35 1HZ LYS 35 5.805 5.881 -5.501 199 2HZ LYS 35 2HZ LYS 35 7.239 6.485 -4.840 200 3HZ LYS 35 3HZ LYS 35 6.239 7.496 -5.755 201 H ALA 36 H ALA 36 0.496 2.637 -3.300 202 HA ALA 36 HA ALA 36 0.363 3.859 -0.631 203 1HB ALA 36 1HB ALA 36 -1.921 2.811 -2.294 204 2HB ALA 36 2HB ALA 36 -1.369 4.486 -2.309 205 3HB ALA 36 3HB ALA 36 -2.024 3.786 -0.829 206 H ASN 37 H ASN 37 0.081 2.652 1.173 207 HA ASN 37 HA ASN 37 0.723 -0.079 1.152 208 1HB ASN 37 1HB ASN 37 1.069 1.404 3.100 209 2HB ASN 37 2HB ASN 37 -0.675 1.494 3.328 210 1HD2 ASN 37 1HD2 ASN 37 -1.217 0.355 5.034 211 2HD2 ASN 37 2HD2 ASN 37 -0.626 -1.218 5.440 212 H THR 38 H THR 38 -2.402 1.554 1.594 213 HA THR 38 HA THR 38 -3.728 -0.943 0.791 214 HB THR 38 HB THR 38 -4.727 0.884 2.982 215 HG1 THR 38 HG1 THR 38 -4.033 -0.666 4.401 216 1HG2 THR 38 1HG2 THR 38 -6.633 -0.162 2.283 217 2HG2 THR 38 2HG2 THR 38 -6.036 -1.321 3.472 218 3HG2 THR 38 3HG2 THR 38 -5.778 -1.610 1.751 219 H CYS 39 H CYS 39 -5.506 -0.708 -0.528 220 HA CYS 39 HA CYS 39 -6.321 2.042 -1.174 221 1HB CYS 39 1HB CYS 39 -6.452 0.298 -3.496 222 2HB CYS 39 2HB CYS 39 -5.727 1.896 -3.329 223 H THR 40 H THR 40 -8.334 2.087 -0.367 224 HA THR 40 HA THR 40 -10.125 -0.180 -0.732 225 HB THR 40 HB THR 40 -11.196 2.320 0.418 226 HG1 THR 40 HG1 THR 40 -9.146 0.877 1.741 227 1HG2 THR 40 1HG2 THR 40 -12.403 0.184 0.541 228 2HG2 THR 40 2HG2 THR 40 -12.055 0.868 2.129 229 3HG2 THR 40 3HG2 THR 40 -11.090 -0.476 1.517 230 H GLY 41 H GLY 41 -11.211 -0.352 -2.595 231 1HA GLY 41 1HA GLY 41 -12.427 0.228 -4.467 232 2HA GLY 41 2HA GLY 41 -12.865 1.699 -3.614 233 H SER 42 H SER 42 -9.669 0.564 -4.549 234 HA SER 42 HA SER 42 -9.503 2.748 -6.483 235 1HB SER 42 1HB SER 42 -7.295 2.207 -4.481 236 2HB SER 42 2HB SER 42 -7.426 3.569 -5.591 237 HG SER 42 HG SER 42 -8.963 3.029 -3.277 238 H THR 43 H THR 43 -7.505 2.448 -7.883 239 HA THR 43 HA THR 43 -6.864 -0.417 -8.049 240 HB THR 43 HB THR 43 -7.432 -0.512 -10.219 241 HG1 THR 43 HG1 THR 43 -6.961 1.158 -11.714 242 1HG2 THR 43 1HG2 THR 43 -8.950 1.482 -10.978 243 2HG2 THR 43 2HG2 THR 43 -8.873 1.907 -9.267 244 3HG2 THR 43 3HG2 THR 43 -9.492 0.330 -9.757 245 H ASP 44 H ASP 44 -5.063 0.457 -10.434 246 HA ASP 44 HA ASP 44 -2.727 0.427 -10.456 247 1HB ASP 44 1HB ASP 44 -3.838 2.813 -10.855 248 2HB ASP 44 2HB ASP 44 -2.914 3.209 -9.408 249 H CYS 45 H CYS 45 -2.743 -1.039 -8.453 250 HA CYS 45 HA CYS 45 -1.122 0.262 -6.376 251 1HB CYS 45 1HB CYS 45 -3.562 -1.451 -5.995 252 2HB CYS 45 2HB CYS 45 -2.309 -1.376 -4.752 253 H ASN 46 H ASN 46 0.817 -0.621 -6.703 254 HA ASN 46 HA ASN 46 0.981 -3.527 -7.132 255 1HB ASN 46 1HB ASN 46 2.010 -2.121 -8.889 256 2HB ASN 46 2HB ASN 46 3.071 -1.403 -7.673 257 1HD2 ASN 46 1HD2 ASN 46 5.038 -2.160 -7.900 258 2HD2 ASN 46 2HD2 ASN 46 5.473 -3.802 -8.213 259 H THR 47 H THR 47 2.111 -0.867 -5.134 260 HA THR 47 HA THR 47 3.797 -2.610 -3.539 261 HB THR 47 HB THR 47 4.496 -0.653 -2.388 262 HG1 THR 47 HG1 THR 47 2.546 0.332 -1.970 263 1HG2 THR 47 1HG2 THR 47 5.624 -0.379 -4.334 264 2HG2 THR 47 2HG2 THR 47 4.653 1.092 -4.362 265 3HG2 THR 47 3HG2 THR 47 4.157 -0.310 -5.310 266 H ALA 48 H ALA 48 0.580 -1.322 -3.464 267 HA ALA 48 HA ALA 48 0.014 -1.377 -0.741 268 1HB ALA 48 1HB ALA 48 -2.200 -1.188 -1.319 269 2HB ALA 48 2HB ALA 48 -2.049 -2.290 -2.688 270 3HB ALA 48 3HB ALA 48 -1.420 -0.647 -2.806 271 H GLN 49 H GLN 49 -0.389 -2.930 0.723 272 HA GLN 49 HA GLN 49 0.143 -5.670 -0.016 273 1HB GLN 49 1HB GLN 49 0.054 -6.129 2.369 274 2HB GLN 49 2HB GLN 49 1.057 -4.717 2.062 275 1HG GLN 49 1HG GLN 49 -0.561 -3.247 2.897 276 2HG GLN 49 2HG GLN 49 -1.833 -4.465 2.815 277 1HE2 GLN 49 1HE2 GLN 49 -0.899 -6.582 4.066 278 2HE2 GLN 49 2HE2 GLN 49 -0.472 -6.231 5.703 279 H THR 50 H THR 50 -2.562 -3.832 -0.213 280 HA THR 50 HA THR 50 -4.288 -5.982 -0.666 281 HB THR 50 HB THR 50 -4.015 -5.932 1.929 282 HG1 THR 50 HG1 THR 50 -5.642 -7.072 0.643 283 1HG2 THR 50 1HG2 THR 50 -4.539 -3.461 2.034 284 2HG2 THR 50 2HG2 THR 50 -5.408 -4.514 3.154 285 3HG2 THR 50 3HG2 THR 50 -6.211 -3.915 1.700 286 H CYS 51 H CYS 51 -6.471 -5.275 -1.202 287 HA CYS 51 HA CYS 51 -7.334 -2.619 -1.127 288 1HB CYS 51 1HB CYS 51 -7.041 -2.543 -3.862 289 2HB CYS 51 2HB CYS 51 -6.048 -1.660 -2.704 290 H THR 52 H THR 52 -9.440 -2.478 -1.697 291 HA THR 52 HA THR 52 -10.648 -4.892 -2.864 292 HB THR 52 HB THR 52 -11.438 -4.326 -0.616 293 HG1 THR 52 HG1 THR 52 -13.671 -4.215 -1.134 294 1HG2 THR 52 1HG2 THR 52 -11.100 -1.912 -0.646 295 2HG2 THR 52 2HG2 THR 52 -12.747 -2.338 -0.183 296 3HG2 THR 52 3HG2 THR 52 -12.415 -1.745 -1.809 297 H ASN 53 H ASN 53 -12.377 -4.656 -4.398 298 HA ASN 53 HA ASN 53 -13.124 -3.889 -6.417 299 1HB ASN 53 1HB ASN 53 -13.967 -2.169 -4.413 300 2HB ASN 53 2HB ASN 53 -13.306 -1.078 -5.635 301 1HD2 ASN 53 1HD2 ASN 53 -15.036 -4.164 -5.888 302 2HD2 ASN 53 2HD2 ASN 53 -16.317 -3.560 -6.876 303 H SER 54 H SER 54 -10.255 -3.841 -5.968 304 HA SER 54 HA SER 54 -9.329 -1.503 -7.464 305 1HB SER 54 1HB SER 54 -8.058 -2.150 -5.475 306 2HB SER 54 2HB SER 54 -7.819 -3.772 -6.132 307 HG SER 54 HG SER 54 -6.071 -2.919 -6.935 308 H LYS 55 H LYS 55 -7.464 -2.100 -9.042 309 HA LYS 55 HA LYS 55 -8.318 -4.354 -10.738 310 1HB LYS 55 1HB LYS 55 -7.106 -1.766 -11.723 311 2HB LYS 55 2HB LYS 55 -7.762 -3.072 -12.702 312 1HG LYS 55 1HG LYS 55 -9.992 -2.599 -11.913 313 2HG LYS 55 2HG LYS 55 -9.372 -1.367 -10.813 314 1HD LYS 55 1HD LYS 55 -9.144 0.164 -12.456 315 2HD LYS 55 2HD LYS 55 -8.599 -1.034 -13.632 316 1HE LYS 55 1HE LYS 55 -10.702 -0.175 -14.374 317 2HE LYS 55 2HE LYS 55 -10.956 -1.826 -13.812 318 1HZ LYS 55 1HZ LYS 55 -11.948 0.678 -12.725 319 2HZ LYS 55 2HZ LYS 55 -11.446 -0.464 -11.582 320 3HZ LYS 55 3HZ LYS 55 -12.645 -0.865 -12.707 321 H ASP 56 H ASP 56 -6.247 -3.969 -8.583 322 HA ASP 56 HA ASP 56 -4.056 -5.233 -9.974 323 1HB ASP 56 1HB ASP 56 -3.586 -2.836 -8.184 324 2HB ASP 56 2HB ASP 56 -2.374 -3.740 -9.095 325 H CYS 57 H CYS 57 -2.587 -4.526 -7.312 326 HA CYS 57 HA CYS 57 -2.441 -5.289 -5.150 327 1HB CYS 57 1HB CYS 57 -4.898 -6.995 -5.536 328 2HB CYS 57 2HB CYS 57 -4.206 -6.392 -4.031 329 H PHE 58 H PHE 58 -1.003 -6.322 -7.184 330 HA PHE 58 HA PHE 58 -1.159 -9.100 -7.554 331 1HB PHE 58 1HB PHE 58 1.398 -7.498 -7.612 332 2HB PHE 58 2HB PHE 58 1.008 -8.949 -8.529 333 HD1 PHE 58 HD1 PHE 58 -0.717 -8.820 -10.302 334 HD2 PHE 58 HD2 PHE 58 0.962 -5.403 -8.412 335 HE1 PHE 58 HE1 PHE 58 -1.419 -7.430 -12.199 336 HE2 PHE 58 HE2 PHE 58 0.259 -4.006 -10.302 337 HZ PHE 58 HZ PHE 58 -0.915 -5.042 -12.174 338 H GLU 59 H GLU 59 1.014 -7.240 -5.420 339 HA GLU 59 HA GLU 59 1.616 -9.687 -3.943 340 1HB GLU 59 1HB GLU 59 2.826 -6.921 -3.866 341 2HB GLU 59 2HB GLU 59 3.306 -8.225 -2.781 342 1HG GLU 59 1HG GLU 59 3.433 -8.446 -5.776 343 2HG GLU 59 2HG GLU 59 4.771 -7.859 -4.788 344 H ALA 60 H ALA 60 -1.002 -8.717 -3.656 345 HA ALA 60 HA ALA 60 -1.051 -7.414 -1.035 346 1HB ALA 60 1HB ALA 60 -3.012 -7.750 -3.238 347 2HB ALA 60 2HB ALA 60 -2.625 -6.326 -2.273 348 3HB ALA 60 3HB ALA 60 -3.634 -7.605 -1.592 349 H ASN 61 H ASN 61 -2.135 -8.302 0.741 350 HA ASN 61 HA ASN 61 -2.017 -11.178 0.880 351 1HB ASN 61 1HB ASN 61 -2.577 -10.856 3.260 352 2HB ASN 61 2HB ASN 61 -1.223 -9.844 2.765 353 1HD2 ASN 61 1HD2 ASN 61 -4.654 -9.868 3.489 354 2HD2 ASN 61 2HD2 ASN 61 -4.775 -8.188 3.875 355 H THR 62 H THR 62 -4.531 -8.683 1.019 356 HA THR 62 HA THR 62 -6.526 -10.814 0.613 357 HB THR 62 HB THR 62 -6.889 -8.304 2.261 358 HG1 THR 62 HG1 THR 62 -6.934 -9.706 4.001 359 1HG2 THR 62 1HG2 THR 62 -8.926 -9.915 2.964 360 2HG2 THR 62 2HG2 THR 62 -8.791 -10.295 1.248 361 3HG2 THR 62 3HG2 THR 62 -9.049 -8.629 1.764 362 H CYS 63 H CYS 63 -8.213 -10.372 -0.795 363 HA CYS 63 HA CYS 63 -8.538 -7.774 -1.978 364 1HB CYS 63 1HB CYS 63 -8.008 -8.479 -4.285 365 2HB CYS 63 2HB CYS 63 -6.590 -8.522 -3.236 366 H THR 64 H THR 64 -10.677 -7.640 -1.982 367 HA THR 64 HA THR 64 -12.232 -9.991 -2.846 368 HB THR 64 HB THR 64 -14.090 -8.516 -1.589 369 HG1 THR 64 HG1 THR 64 -11.690 -7.968 -0.183 370 1HG2 THR 64 1HG2 THR 64 -13.365 -10.876 -1.079 371 2HG2 THR 64 2HG2 THR 64 -13.924 -9.915 0.291 372 3HG2 THR 64 3HG2 THR 64 -12.197 -10.175 0.041 373 H ASP 65 H ASP 65 -13.552 -9.796 -4.560 374 HA ASP 65 HA ASP 65 -14.566 -8.922 -6.398 375 1HB ASP 65 1HB ASP 65 -14.713 -6.412 -4.709 376 2HB ASP 65 2HB ASP 65 -15.636 -6.717 -6.184 377 H SER 66 H SER 66 -11.643 -8.716 -6.029 378 HA SER 66 HA SER 66 -11.130 -6.503 -7.905 379 1HB SER 66 1HB SER 66 -10.046 -6.801 -5.362 380 2HB SER 66 2HB SER 66 -8.775 -7.401 -6.434 381 HG SER 66 HG SER 66 -8.504 -5.449 -7.222 382 H THR 67 H THR 67 -8.871 -6.952 -9.018 383 HA THR 67 HA THR 67 -8.775 -9.762 -9.837 384 HB THR 67 HB THR 67 -9.797 -8.913 -11.687 385 HG1 THR 67 HG1 THR 67 -7.410 -9.456 -12.126 386 1HG2 THR 67 1HG2 THR 67 -9.565 -6.705 -12.598 387 2HG2 THR 67 2HG2 THR 67 -8.329 -6.322 -11.399 388 3HG2 THR 67 3HG2 THR 67 -9.988 -6.633 -10.888 389 H ASN 68 H ASN 68 -6.796 -10.627 -10.267 390 HA ASN 68 HA ASN 68 -4.517 -10.793 -10.431 391 1HB ASN 68 1HB ASN 68 -4.281 -7.798 -10.132 392 2HB ASN 68 2HB ASN 68 -3.130 -8.917 -10.867 393 1HD2 ASN 68 1HD2 ASN 68 -3.999 -6.641 -12.154 394 2HD2 ASN 68 2HD2 ASN 68 -4.959 -7.092 -13.518 395 H CYS 69 H CYS 69 -4.429 -11.859 -8.489 396 HA CYS 69 HA CYS 69 -3.449 -10.264 -6.226 397 1HB CYS 69 1HB CYS 69 -5.307 -12.645 -6.026 398 2HB CYS 69 2HB CYS 69 -4.653 -11.717 -4.676 399 H TYR 70 H TYR 70 -1.670 -11.278 -7.918 400 HA TYR 70 HA TYR 70 -0.842 -13.900 -7.690 401 1HB TYR 70 1HB TYR 70 0.876 -11.428 -7.988 402 2HB TYR 70 2HB TYR 70 1.405 -13.081 -8.311 403 HD1 TYR 70 HD1 TYR 70 -0.784 -14.248 -9.791 404 HD2 TYR 70 HD2 TYR 70 0.791 -10.301 -10.007 405 HE1 TYR 70 HE1 TYR 70 -1.597 -14.056 -12.103 406 HE2 TYR 70 HE2 TYR 70 -0.018 -10.100 -12.320 407 HH TYR 70 HH TYR 70 -2.141 -11.475 -13.655 408 H LYS 71 H LYS 71 -1.101 -14.661 -5.629 409 HA LYS 71 HA LYS 71 0.083 -15.505 -3.784 410 1HB LYS 71 1HB LYS 71 2.084 -14.061 -4.483 411 2HB LYS 71 2HB LYS 71 1.410 -12.822 -3.427 412 1HG LYS 71 1HG LYS 71 1.557 -14.368 -1.533 413 2HG LYS 71 2HG LYS 71 2.257 -15.592 -2.596 414 1HD LYS 71 1HD LYS 71 4.286 -14.648 -2.521 415 2HD LYS 71 2HD LYS 71 3.633 -13.023 -2.744 416 1HE LYS 71 1HE LYS 71 3.742 -14.572 -0.158 417 2HE LYS 71 2HE LYS 71 4.762 -13.203 -0.599 418 1HZ LYS 71 1HZ LYS 71 2.337 -12.153 -0.926 419 2HZ LYS 71 2HZ LYS 71 3.207 -12.057 0.521 420 3HZ LYS 71 3HZ LYS 71 2.015 -13.242 0.329 421 H ALA 72 H ALA 72 -2.442 -14.786 -3.745 422 HA ALA 72 HA ALA 72 -2.865 -12.862 -1.586 423 1HB ALA 72 1HB ALA 72 -4.324 -13.519 -3.869 424 2HB ALA 72 2HB ALA 72 -4.822 -12.449 -2.559 425 3HB ALA 72 3HB ALA 72 -5.269 -14.156 -2.523 426 H THR 73 H THR 73 -3.657 -13.398 0.413 427 HA THR 73 HA THR 73 -3.388 -16.187 1.172 428 HB THR 73 HB THR 73 -2.378 -14.370 2.538 429 HG1 THR 73 HG1 THR 73 -4.385 -15.793 3.939 430 1HG2 THR 73 1HG2 THR 73 -3.567 -12.560 2.991 431 2HG2 THR 73 2HG2 THR 73 -4.457 -13.542 4.155 432 3HG2 THR 73 3HG2 THR 73 -5.075 -13.340 2.515 433 H ALA 74 H ALA 74 -5.905 -13.873 0.596 434 HA ALA 74 HA ALA 74 -7.887 -15.948 1.170 435 1HB ALA 74 1HB ALA 74 -7.907 -14.667 3.186 436 2HB ALA 74 2HB ALA 74 -9.353 -14.248 2.267 437 3HB ALA 74 3HB ALA 74 -7.972 -13.151 2.286 438 H CYS 75 H CYS 75 -8.502 -16.253 -0.912 439 HA CYS 75 HA CYS 75 -9.420 -13.889 -2.406 440 1HB CYS 75 1HB CYS 75 -8.089 -14.658 -4.039 441 2HB CYS 75 2HB CYS 75 -7.796 -16.172 -3.184 442 H THR 76 H THR 76 -11.406 -13.996 -3.522 443 HA THR 76 HA THR 76 -13.148 -16.258 -2.828 444 HB THR 76 HB THR 76 -13.849 -13.329 -2.538 445 HG1 THR 76 HG1 THR 76 -12.850 -13.899 -0.714 446 1HG2 THR 76 1HG2 THR 76 -15.822 -14.404 -3.304 447 2HG2 THR 76 2HG2 THR 76 -15.975 -14.184 -1.561 448 3HG2 THR 76 3HG2 THR 76 -15.571 -15.769 -2.217 449 H ASN 77 H ASN 77 -13.791 -13.171 -4.465 450 HA ASN 77 HA ASN 77 -14.317 -14.683 -6.937 451 1HB ASN 77 1HB ASN 77 -16.164 -13.144 -7.427 452 2HB ASN 77 2HB ASN 77 -16.430 -13.977 -5.893 453 1HD2 ASN 77 1HD2 ASN 77 -16.484 -11.048 -7.428 454 2HD2 ASN 77 2HD2 ASN 77 -16.444 -10.009 -6.048 455 H SER 78 H SER 78 -11.876 -13.870 -6.812 456 HA SER 78 HA SER 78 -11.761 -11.305 -8.260 457 1HB SER 78 1HB SER 78 -10.562 -10.871 -6.306 458 2HB SER 78 2HB SER 78 -9.927 -12.518 -6.214 459 HG SER 78 HG SER 78 -8.348 -11.995 -7.535 460 H SER 79 H SER 79 -9.661 -11.189 -9.637 461 HA SER 79 HA SER 79 -9.742 -13.429 -11.435 462 1HB SER 79 1HB SER 79 -8.340 -10.787 -11.464 463 2HB SER 79 2HB SER 79 -7.942 -12.034 -12.644 464 HG SER 79 HG SER 79 -10.253 -12.058 -13.124 465 H GLY 80 H GLY 80 -6.611 -12.056 -11.212 466 1HA GLY 80 1HA GLY 80 -5.216 -14.372 -10.993 467 2HA GLY 80 2HA GLY 80 -4.601 -12.829 -10.426 468 H CYS 81 H CYS 81 -6.743 -15.477 -9.418 469 HA CYS 81 HA CYS 81 -6.390 -14.858 -6.627 470 1HB CYS 81 1HB CYS 81 -8.013 -16.733 -8.234 471 2HB CYS 81 2HB CYS 81 -7.584 -17.295 -6.618 472 HA PRO 82 HA PRO 82 -3.184 -17.385 -5.034 473 1HB PRO 82 1HB PRO 82 -5.257 -19.363 -4.158 474 2HB PRO 82 2HB PRO 82 -3.863 -18.727 -3.266 475 1HG PRO 82 1HG PRO 82 -6.294 -17.762 -2.811 476 2HG PRO 82 2HG PRO 82 -4.888 -16.682 -2.863 477 1HD PRO 82 1HD PRO 82 -7.061 -17.053 -4.846 478 2HD PRO 82 2HD PRO 82 -6.096 -15.611 -4.490 479 H GLY 83 H GLY 83 -2.111 -19.526 -5.221 480 1HA GLY 83 1HA GLY 83 -2.647 -20.663 -7.851 481 2HA GLY 83 2HA GLY 83 -1.216 -20.935 -6.871 482 H HIS 84 H HIS 84 -4.129 -22.228 -7.934 483 HA HIS 84 HA HIS 84 -4.913 -23.875 -5.817 484 1HB HIS 84 1HB HIS 84 -5.402 -23.732 -8.702 485 2HB HIS 84 2HB HIS 84 -5.491 -25.369 -8.062 486 HD1 HIS 84 HD1 HIS 84 -7.049 -25.380 -5.684 487 HD2 HIS 84 HD2 HIS 84 -7.803 -22.521 -8.603 488 HE1 HIS 84 HE1 HIS 84 -9.393 -24.578 -5.250 489 HE2 HIS 84 HE2 HIS 84 -9.798 -22.792 -6.980 Start of MODEL 20 1 1H GLN 1 1H GLN 1 -9.503 22.728 -0.126 2 2H GLN 1 2H GLN 1 -7.908 22.138 -0.351 3 3H GLN 1 3H GLN 1 -8.942 21.403 0.805 4 HA GLN 1 HA GLN 1 -10.437 20.777 -0.988 5 1HB GLN 1 1HB GLN 1 -9.734 22.524 -2.555 6 2HB GLN 1 2HB GLN 1 -8.135 21.802 -2.664 7 1HG GLN 1 1HG GLN 1 -9.915 19.748 -3.296 8 2HG GLN 1 2HG GLN 1 -10.529 21.179 -4.123 9 1HE2 GLN 1 1HE2 GLN 1 -8.005 18.843 -3.933 10 2HE2 GLN 1 2HE2 GLN 1 -7.149 19.332 -5.352 11 H CYS 2 H CYS 2 -10.374 18.633 -0.878 12 HA CYS 2 HA CYS 2 -7.987 17.160 -1.550 13 1HB CYS 2 1HB CYS 2 -8.266 17.852 1.102 14 2HB CYS 2 2HB CYS 2 -8.980 16.243 1.050 15 H THR 3 H THR 3 -10.666 17.387 -2.585 16 HA THR 3 HA THR 3 -11.313 14.570 -2.672 17 HB THR 3 HB THR 3 -13.849 15.672 -2.332 18 HG1 THR 3 HG1 THR 3 -12.167 16.582 -0.244 19 1HG2 THR 3 1HG2 THR 3 -14.000 13.842 -1.116 20 2HG2 THR 3 2HG2 THR 3 -13.060 14.619 0.157 21 3HG2 THR 3 3HG2 THR 3 -12.244 13.682 -1.094 22 H GLY 4 H GLY 4 -10.653 14.839 -4.852 23 1HA GLY 4 1HA GLY 4 -11.768 14.728 -7.005 24 2HA GLY 4 2HA GLY 4 -12.725 16.126 -6.516 25 H GLY 5 H GLY 5 -11.573 16.265 -8.920 26 1HA GLY 5 1HA GLY 5 -10.525 18.256 -9.813 27 2HA GLY 5 2HA GLY 5 -9.386 18.194 -8.475 28 H ALA 6 H ALA 6 -10.308 15.335 -10.254 29 HA ALA 6 HA ALA 6 -9.142 13.908 -11.587 30 1HB ALA 6 1HB ALA 6 -7.784 16.476 -12.381 31 2HB ALA 6 2HB ALA 6 -9.081 15.631 -13.226 32 3HB ALA 6 3HB ALA 6 -7.467 14.924 -13.157 33 H ASP 7 H ASP 7 -6.430 16.101 -10.969 34 HA ASP 7 HA ASP 7 -5.085 13.899 -9.548 35 1HB ASP 7 1HB ASP 7 -3.759 16.236 -10.937 36 2HB ASP 7 2HB ASP 7 -2.982 14.779 -10.314 37 H CYS 8 H CYS 8 -4.077 14.292 -7.598 38 HA CYS 8 HA CYS 8 -5.154 16.281 -5.947 39 1HB CYS 8 1HB CYS 8 -2.868 14.362 -5.692 40 2HB CYS 8 2HB CYS 8 -3.078 15.622 -4.475 41 H THR 9 H THR 9 -4.786 18.381 -5.966 42 HA THR 9 HA THR 9 -2.070 19.341 -6.581 43 HB THR 9 HB THR 9 -3.407 19.785 -8.528 44 HG1 THR 9 HG1 THR 9 -2.049 21.509 -7.662 45 1HG2 THR 9 1HG2 THR 9 -5.605 19.776 -7.078 46 2HG2 THR 9 2HG2 THR 9 -5.505 20.649 -8.607 47 3HG2 THR 9 3HG2 THR 9 -5.329 21.517 -7.082 48 H SER 10 H SER 10 -3.775 18.918 -4.052 49 HA SER 10 HA SER 10 -2.942 21.380 -2.787 50 1HB SER 10 1HB SER 10 -5.292 21.764 -3.720 51 2HB SER 10 2HB SER 10 -5.843 20.601 -2.515 52 HG SER 10 HG SER 10 -6.002 22.611 -1.602 53 H CYS 11 H CYS 11 -2.549 18.374 -2.666 54 HA CYS 11 HA CYS 11 -2.561 18.208 0.226 55 1HB CYS 11 1HB CYS 11 -3.940 16.078 -1.423 56 2HB CYS 11 2HB CYS 11 -3.724 16.070 0.324 57 H THR 12 H THR 12 -1.479 16.104 0.938 58 HA THR 12 HA THR 12 0.369 15.033 -1.049 59 HB THR 12 HB THR 12 1.441 17.035 0.059 60 HG1 THR 12 HG1 THR 12 3.141 15.968 -0.482 61 1HG2 THR 12 1HG2 THR 12 2.186 16.990 2.264 62 2HG2 THR 12 2HG2 THR 12 1.793 15.281 2.457 63 3HG2 THR 12 3HG2 THR 12 0.501 16.478 2.361 64 H GLY 13 H GLY 13 -0.789 14.966 2.298 65 1HA GLY 13 1HA GLY 13 0.238 12.449 2.991 66 2HA GLY 13 2HA GLY 13 -1.144 13.225 3.746 67 H ALA 14 H ALA 14 -2.973 12.119 3.629 68 HA ALA 14 HA ALA 14 -3.204 9.868 1.840 69 1HB ALA 14 1HB ALA 14 -4.850 10.962 4.081 70 2HB ALA 14 2HB ALA 14 -4.105 9.373 3.907 71 3HB ALA 14 3HB ALA 14 -5.546 9.778 2.974 72 H CYS 15 H CYS 15 -4.392 9.718 0.016 73 HA CYS 15 HA CYS 15 -5.650 12.180 -0.948 74 1HB CYS 15 1HB CYS 15 -5.484 9.885 -2.790 75 2HB CYS 15 2HB CYS 15 -5.078 11.575 -3.056 76 H THR 16 H THR 16 -7.748 12.242 -1.742 77 HA THR 16 HA THR 16 -9.418 9.868 -1.372 78 HB THR 16 HB THR 16 -10.205 12.579 -0.295 79 HG1 THR 16 HG1 THR 16 -9.840 11.596 1.757 80 1HG2 THR 16 1HG2 THR 16 -12.225 11.722 -0.075 81 2HG2 THR 16 2HG2 THR 16 -11.561 10.487 0.995 82 3HG2 THR 16 3HG2 THR 16 -11.680 10.182 -0.738 83 H GLY 17 H GLY 17 -10.549 9.533 -3.171 84 1HA GLY 17 1HA GLY 17 -11.668 9.911 -5.141 85 2HA GLY 17 2HA GLY 17 -12.115 11.477 -4.465 86 H CYS 18 H CYS 18 -8.792 10.516 -4.911 87 HA CYS 18 HA CYS 18 -8.474 12.666 -6.880 88 1HB CYS 18 1HB CYS 18 -6.951 11.791 -4.629 89 2HB CYS 18 2HB CYS 18 -5.963 11.564 -6.073 90 H GLY 19 H GLY 19 -6.420 12.128 -8.352 91 1HA GLY 19 1HA GLY 19 -7.028 9.531 -9.625 92 2HA GLY 19 2HA GLY 19 -6.481 10.962 -10.497 93 H ASN 20 H ASN 20 -4.532 11.537 -8.291 94 HA ASN 20 HA ASN 20 -2.637 9.336 -8.601 95 1HB ASN 20 1HB ASN 20 -2.124 10.855 -10.445 96 2HB ASN 20 2HB ASN 20 -2.015 12.209 -9.325 97 1HD2 ASN 20 1HD2 ASN 20 -0.498 9.299 -10.472 98 2HD2 ASN 20 2HD2 ASN 20 1.055 9.593 -9.775 99 H CYS 21 H CYS 21 -1.167 9.149 -6.930 100 HA CYS 21 HA CYS 21 -1.647 10.952 -4.652 101 1HB CYS 21 1HB CYS 21 -1.124 8.011 -4.825 102 2HB CYS 21 2HB CYS 21 -0.648 8.893 -3.371 103 HA PRO 22 HA PRO 22 2.695 11.917 -5.299 104 1HB PRO 22 1HB PRO 22 2.765 14.156 -3.844 105 2HB PRO 22 2HB PRO 22 1.933 14.106 -5.403 106 1HG PRO 22 1HG PRO 22 0.795 13.971 -2.641 107 2HG PRO 22 2HG PRO 22 0.191 14.847 -4.059 108 1HD PRO 22 1HD PRO 22 -0.763 12.401 -3.196 109 2HD PRO 22 2HD PRO 22 -0.918 13.018 -4.853 110 H ASN 23 H ASN 23 3.478 10.089 -4.129 111 HA ASN 23 HA ASN 23 4.667 9.078 -2.475 112 1HB ASN 23 1HB ASN 23 4.782 11.913 -1.428 113 2HB ASN 23 2HB ASN 23 5.653 10.564 -0.692 114 1HD2 ASN 23 1HD2 ASN 23 5.083 11.259 -4.108 115 2HD2 ASN 23 2HD2 ASN 23 6.749 11.415 -4.536 116 H ALA 24 H ALA 24 1.672 9.680 -2.272 117 HA ALA 24 HA ALA 24 1.008 9.864 0.471 118 1HB ALA 24 1HB ALA 24 -0.752 8.419 -1.459 119 2HB ALA 24 2HB ALA 24 -0.472 10.149 -1.659 120 3HB ALA 24 3HB ALA 24 -1.183 9.537 -0.165 121 H VAL 25 H VAL 25 0.792 8.362 2.041 122 HA VAL 25 HA VAL 25 1.917 5.739 1.549 123 HB VAL 25 HB VAL 25 2.545 6.975 3.579 124 1HG1 VAL 25 1HG1 VAL 25 -0.052 7.722 3.738 125 2HG1 VAL 25 2HG1 VAL 25 1.095 7.827 5.074 126 3HG1 VAL 25 3HG1 VAL 25 0.002 6.448 4.956 127 1HG2 VAL 25 1HG2 VAL 25 2.793 5.083 4.774 128 2HG2 VAL 25 2HG2 VAL 25 2.058 4.320 3.364 129 3HG2 VAL 25 3HG2 VAL 25 1.067 4.726 4.765 130 H THR 26 H THR 26 -1.207 7.174 2.129 131 HA THR 26 HA THR 26 -2.499 4.682 1.425 132 HB THR 26 HB THR 26 -3.730 5.853 3.822 133 HG1 THR 26 HG1 THR 26 -1.287 4.444 4.082 134 1HG2 THR 26 1HG2 THR 26 -3.223 3.212 4.329 135 2HG2 THR 26 2HG2 THR 26 -3.437 3.247 2.578 136 3HG2 THR 26 3HG2 THR 26 -4.704 3.870 3.635 137 H CYS 27 H CYS 27 -4.389 5.017 0.364 138 HA CYS 27 HA CYS 27 -5.595 7.687 0.498 139 1HB CYS 27 1HB CYS 27 -5.734 7.895 -1.877 140 2HB CYS 27 2HB CYS 27 -4.060 7.490 -1.497 141 H THR 28 H THR 28 -7.788 7.788 -0.243 142 HA THR 28 HA THR 28 -9.193 5.245 0.151 143 HB THR 28 HB THR 28 -10.472 7.972 0.112 144 HG1 THR 28 HG1 THR 28 -9.849 8.337 2.105 145 1HG2 THR 28 1HG2 THR 28 -12.290 6.742 0.444 146 2HG2 THR 28 2HG2 THR 28 -11.656 6.445 2.064 147 3HG2 THR 28 3HG2 THR 28 -11.348 5.287 0.770 148 H ASN 29 H ASN 29 -9.244 4.303 -1.844 149 HA ASN 29 HA ASN 29 -10.158 3.821 -3.838 150 1HB ASN 29 1HB ASN 29 -11.216 6.648 -4.001 151 2HB ASN 29 2HB ASN 29 -11.783 5.230 -4.884 152 1HD2 ASN 29 1HD2 ASN 29 -13.152 3.795 -3.898 153 2HD2 ASN 29 2HD2 ASN 29 -13.909 4.107 -2.378 154 H SER 30 H SER 30 -10.316 6.167 -5.778 155 HA SER 30 HA SER 30 -8.983 7.397 -7.192 156 1HB SER 30 1HB SER 30 -7.497 7.770 -5.134 157 2HB SER 30 2HB SER 30 -6.531 6.419 -5.727 158 HG SER 30 HG SER 30 -5.721 7.669 -7.211 159 H GLN 31 H GLN 31 -7.123 6.936 -8.806 160 HA GLN 31 HA GLN 31 -7.091 4.064 -9.452 161 1HB GLN 31 1HB GLN 31 -7.046 5.640 -11.858 162 2HB GLN 31 2HB GLN 31 -8.188 4.388 -11.371 163 1HG GLN 31 1HG GLN 31 -9.425 6.120 -10.082 164 2HG GLN 31 2HG GLN 31 -8.336 7.331 -10.760 165 1HE2 GLN 31 1HE2 GLN 31 -11.304 6.124 -11.056 166 2HE2 GLN 31 2HE2 GLN 31 -11.585 6.366 -12.744 167 H HIS 32 H HIS 32 -4.982 5.240 -8.129 168 HA HIS 32 HA HIS 32 -2.821 4.594 -9.788 169 1HB HIS 32 1HB HIS 32 -3.703 6.999 -10.560 170 2HB HIS 32 2HB HIS 32 -2.636 7.508 -9.247 171 HD1 HIS 32 HD1 HIS 32 -2.400 7.552 -12.605 172 HD2 HIS 32 HD2 HIS 32 -0.105 5.554 -9.775 173 HE1 HIS 32 HE1 HIS 32 -0.196 7.095 -13.728 174 HE2 HIS 32 HE2 HIS 32 1.196 5.932 -11.978 175 H CYS 33 H CYS 33 -3.625 3.956 -7.197 176 HA CYS 33 HA CYS 33 -1.703 5.323 -5.455 177 1HB CYS 33 1HB CYS 33 -4.299 4.321 -5.023 178 2HB CYS 33 2HB CYS 33 -3.218 3.242 -4.138 179 H VAL 34 H VAL 34 -0.699 3.705 -7.499 180 HA VAL 34 HA VAL 34 -0.156 1.060 -6.920 181 HB VAL 34 HB VAL 34 0.422 2.202 -9.046 182 1HG1 VAL 34 1HG1 VAL 34 2.666 3.347 -9.125 183 2HG1 VAL 34 2HG1 VAL 34 2.618 3.399 -7.361 184 3HG1 VAL 34 3HG1 VAL 34 1.387 4.242 -8.305 185 1HG2 VAL 34 1HG2 VAL 34 2.305 0.858 -9.537 186 2HG2 VAL 34 2HG2 VAL 34 1.400 -0.009 -8.296 187 3HG2 VAL 34 3HG2 VAL 34 2.855 0.888 -7.861 188 H LYS 35 H LYS 35 1.202 3.936 -5.512 189 HA LYS 35 HA LYS 35 3.152 2.293 -4.056 190 1HB LYS 35 1HB LYS 35 4.554 4.150 -3.897 191 2HB LYS 35 2HB LYS 35 3.887 4.275 -5.512 192 1HG LYS 35 1HG LYS 35 2.099 5.768 -4.208 193 2HG LYS 35 2HG LYS 35 3.496 6.016 -3.158 194 1HD LYS 35 1HD LYS 35 3.441 6.462 -6.143 195 2HD LYS 35 2HD LYS 35 3.347 7.727 -4.916 196 1HE LYS 35 1HE LYS 35 5.555 7.656 -4.499 197 2HE LYS 35 2HE LYS 35 5.619 5.897 -4.609 198 1HZ LYS 35 1HZ LYS 35 5.212 6.531 -7.156 199 2HZ LYS 35 2HZ LYS 35 6.754 6.365 -6.478 200 3HZ LYS 35 3HZ LYS 35 6.073 7.902 -6.661 201 H ALA 36 H ALA 36 0.465 2.273 -3.240 202 HA ALA 36 HA ALA 36 0.558 3.846 -0.749 203 1HB ALA 36 1HB ALA 36 -2.025 2.942 -0.941 204 2HB ALA 36 2HB ALA 36 -1.596 3.250 -2.624 205 3HB ALA 36 3HB ALA 36 -1.456 4.539 -1.428 206 H ASN 37 H ASN 37 0.226 2.841 1.207 207 HA ASN 37 HA ASN 37 1.013 0.141 1.428 208 1HB ASN 37 1HB ASN 37 1.091 2.160 3.143 209 2HB ASN 37 2HB ASN 37 -0.446 1.478 3.664 210 1HD2 ASN 37 1HD2 ASN 37 0.079 0.601 5.565 211 2HD2 ASN 37 2HD2 ASN 37 1.284 -0.615 5.793 212 H THR 38 H THR 38 -2.137 1.734 1.687 213 HA THR 38 HA THR 38 -3.425 -0.842 1.197 214 HB THR 38 HB THR 38 -4.250 0.999 3.451 215 HG1 THR 38 HG1 THR 38 -3.535 -0.674 4.782 216 1HG2 THR 38 1HG2 THR 38 -5.465 -1.457 2.301 217 2HG2 THR 38 2HG2 THR 38 -6.234 0.003 2.924 218 3HG2 THR 38 3HG2 THR 38 -5.559 -1.182 4.042 219 H CYS 39 H CYS 39 -5.598 -0.658 0.389 220 HA CYS 39 HA CYS 39 -6.333 2.037 -0.527 221 1HB CYS 39 1HB CYS 39 -6.603 -0.404 -2.279 222 2HB CYS 39 2HB CYS 39 -6.791 1.289 -2.737 223 H THR 40 H THR 40 -8.581 2.214 -1.227 224 HA THR 40 HA THR 40 -10.420 0.168 -0.279 225 HB THR 40 HB THR 40 -10.489 3.005 0.778 226 HG1 THR 40 HG1 THR 40 -9.634 2.236 2.547 227 1HG2 THR 40 1HG2 THR 40 -12.667 2.633 1.042 228 2HG2 THR 40 2HG2 THR 40 -12.180 1.534 2.332 229 3HG2 THR 40 3HG2 THR 40 -12.508 0.907 0.716 230 H GLY 41 H GLY 41 -11.063 -0.063 -2.426 231 1HA GLY 41 1HA GLY 41 -12.594 0.368 -4.124 232 2HA GLY 41 2HA GLY 41 -12.978 1.892 -3.343 233 H SER 42 H SER 42 -9.971 0.534 -4.644 234 HA SER 42 HA SER 42 -9.831 2.845 -6.450 235 1HB SER 42 1HB SER 42 -7.255 1.795 -5.402 236 2HB SER 42 2HB SER 42 -7.735 3.455 -5.736 237 HG SER 42 HG SER 42 -8.518 1.910 -3.488 238 H THR 43 H THR 43 -7.267 1.906 -7.540 239 HA THR 43 HA THR 43 -7.911 -0.789 -8.403 240 HB THR 43 HB THR 43 -8.147 -0.381 -10.639 241 HG1 THR 43 HG1 THR 43 -7.194 1.213 -11.718 242 1HG2 THR 43 1HG2 THR 43 -9.278 2.029 -9.258 243 2HG2 THR 43 2HG2 THR 43 -10.095 0.526 -9.693 244 3HG2 THR 43 3HG2 THR 43 -9.583 1.648 -10.956 245 H ASP 44 H ASP 44 -5.657 1.694 -9.553 246 HA ASP 44 HA ASP 44 -3.495 -0.036 -9.888 247 1HB ASP 44 1HB ASP 44 -4.038 2.741 -10.288 248 2HB ASP 44 2HB ASP 44 -2.513 2.595 -9.418 249 H CYS 45 H CYS 45 -3.514 -1.193 -7.937 250 HA CYS 45 HA CYS 45 -1.971 0.107 -5.791 251 1HB CYS 45 1HB CYS 45 -4.416 -1.644 -5.519 252 2HB CYS 45 2HB CYS 45 -3.296 -1.362 -4.181 253 H ASN 46 H ASN 46 -0.098 -0.918 -6.694 254 HA ASN 46 HA ASN 46 -0.071 -3.837 -6.659 255 1HB ASN 46 1HB ASN 46 1.471 -3.718 -8.286 256 2HB ASN 46 2HB ASN 46 1.068 -2.003 -8.379 257 1HD2 ASN 46 1HD2 ASN 46 3.233 -4.321 -6.841 258 2HD2 ASN 46 2HD2 ASN 46 4.558 -3.230 -6.648 259 H THR 47 H THR 47 1.497 -1.088 -5.070 260 HA THR 47 HA THR 47 3.223 -2.771 -3.503 261 HB THR 47 HB THR 47 3.892 -0.715 -2.377 262 HG1 THR 47 HG1 THR 47 1.671 0.372 -3.745 263 1HG2 THR 47 1HG2 THR 47 4.065 0.713 -4.695 264 2HG2 THR 47 2HG2 THR 47 3.888 -0.941 -5.279 265 3HG2 THR 47 3HG2 THR 47 5.196 -0.532 -4.169 266 H ALA 48 H ALA 48 0.043 -1.425 -3.127 267 HA ALA 48 HA ALA 48 -0.226 -1.427 -0.359 268 1HB ALA 48 1HB ALA 48 -2.082 -1.611 -2.649 269 2HB ALA 48 2HB ALA 48 -2.068 -0.495 -1.284 270 3HB ALA 48 3HB ALA 48 -2.708 -2.126 -1.083 271 H GLN 49 H GLN 49 -0.660 -2.946 1.169 272 HA GLN 49 HA GLN 49 -0.106 -5.691 0.480 273 1HB GLN 49 1HB GLN 49 0.661 -4.434 2.589 274 2HB GLN 49 2HB GLN 49 -0.969 -4.706 3.189 275 1HG GLN 49 1HG GLN 49 -0.601 -6.882 3.590 276 2HG GLN 49 2HG GLN 49 0.392 -7.090 2.149 277 1HE2 GLN 49 1HE2 GLN 49 2.582 -6.111 2.261 278 2HE2 GLN 49 2HE2 GLN 49 3.430 -6.208 3.764 279 H THR 50 H THR 50 -2.850 -3.909 0.271 280 HA THR 50 HA THR 50 -4.546 -6.079 -0.144 281 HB THR 50 HB THR 50 -4.242 -6.084 2.425 282 HG1 THR 50 HG1 THR 50 -6.459 -6.660 2.660 283 1HG2 THR 50 1HG2 THR 50 -5.484 -4.653 3.745 284 2HG2 THR 50 2HG2 THR 50 -6.438 -4.064 2.383 285 3HG2 THR 50 3HG2 THR 50 -4.750 -3.576 2.557 286 H CYS 51 H CYS 51 -6.827 -5.385 -0.496 287 HA CYS 51 HA CYS 51 -7.607 -2.689 -0.467 288 1HB CYS 51 1HB CYS 51 -7.450 -2.121 -2.845 289 2HB CYS 51 2HB CYS 51 -5.851 -2.412 -2.156 290 H THR 52 H THR 52 -9.434 -2.359 -2.263 291 HA THR 52 HA THR 52 -10.908 -4.816 -2.763 292 HB THR 52 HB THR 52 -11.563 -4.095 -0.473 293 HG1 THR 52 HG1 THR 52 -13.629 -4.541 -0.842 294 1HG2 THR 52 1HG2 THR 52 -11.371 -1.707 -0.619 295 2HG2 THR 52 2HG2 THR 52 -13.036 -2.140 -0.232 296 3HG2 THR 52 3HG2 THR 52 -12.611 -1.648 -1.871 297 H ASN 53 H ASN 53 -12.396 -4.646 -4.435 298 HA ASN 53 HA ASN 53 -13.224 -3.853 -6.402 299 1HB ASN 53 1HB ASN 53 -13.589 -1.630 -4.467 300 2HB ASN 53 2HB ASN 53 -13.776 -1.227 -6.176 301 1HD2 ASN 53 1HD2 ASN 53 -14.825 -3.557 -3.730 302 2HD2 ASN 53 2HD2 ASN 53 -16.417 -3.774 -4.367 303 H SER 54 H SER 54 -10.368 -3.865 -6.060 304 HA SER 54 HA SER 54 -9.525 -1.522 -7.622 305 1HB SER 54 1HB SER 54 -7.403 -1.759 -6.741 306 2HB SER 54 2HB SER 54 -8.374 -2.393 -5.407 307 HG SER 54 HG SER 54 -6.439 -3.636 -6.422 308 H LYS 55 H LYS 55 -7.333 -2.407 -8.888 309 HA LYS 55 HA LYS 55 -8.162 -4.696 -10.531 310 1HB LYS 55 1HB LYS 55 -7.370 -1.941 -11.448 311 2HB LYS 55 2HB LYS 55 -7.143 -3.340 -12.488 312 1HG LYS 55 1HG LYS 55 -9.603 -3.822 -12.162 313 2HG LYS 55 2HG LYS 55 -9.720 -2.223 -11.427 314 1HD LYS 55 1HD LYS 55 -8.317 -1.803 -13.793 315 2HD LYS 55 2HD LYS 55 -9.569 -2.970 -14.222 316 1HE LYS 55 1HE LYS 55 -10.286 -0.623 -14.518 317 2HE LYS 55 2HE LYS 55 -11.286 -1.512 -13.370 318 1HZ LYS 55 1HZ LYS 55 -9.009 0.101 -12.420 319 2HZ LYS 55 2HZ LYS 55 -10.406 -0.364 -11.588 320 3HZ LYS 55 3HZ LYS 55 -10.490 0.843 -12.769 321 H ASP 56 H ASP 56 -6.126 -4.063 -8.354 322 HA ASP 56 HA ASP 56 -3.891 -5.353 -9.651 323 1HB ASP 56 1HB ASP 56 -3.925 -2.577 -9.121 324 2HB ASP 56 2HB ASP 56 -2.854 -3.295 -7.917 325 H CYS 57 H CYS 57 -2.451 -4.496 -7.032 326 HA CYS 57 HA CYS 57 -2.235 -5.163 -4.862 327 1HB CYS 57 1HB CYS 57 -5.048 -5.909 -5.358 328 2HB CYS 57 2HB CYS 57 -4.232 -6.878 -4.137 329 H PHE 58 H PHE 58 -0.896 -6.369 -6.847 330 HA PHE 58 HA PHE 58 -1.103 -9.113 -7.163 331 1HB PHE 58 1HB PHE 58 1.399 -7.414 -7.084 332 2HB PHE 58 2HB PHE 58 1.309 -9.052 -7.721 333 HD1 PHE 58 HD1 PHE 58 0.364 -9.511 -9.816 334 HD2 PHE 58 HD2 PHE 58 0.381 -5.568 -8.226 335 HE1 PHE 58 HE1 PHE 58 -0.162 -8.616 -12.039 336 HE2 PHE 58 HE2 PHE 58 -0.145 -4.670 -10.447 337 HZ PHE 58 HZ PHE 58 -0.404 -6.205 -12.324 338 H GLU 59 H GLU 59 0.927 -7.362 -4.809 339 HA GLU 59 HA GLU 59 1.306 -9.856 -3.328 340 1HB GLU 59 1HB GLU 59 3.058 -8.662 -2.116 341 2HB GLU 59 2HB GLU 59 3.304 -8.529 -3.857 342 1HG GLU 59 1HG GLU 59 1.822 -6.304 -3.330 343 2HG GLU 59 2HG GLU 59 2.783 -6.459 -1.861 344 H ALA 60 H ALA 60 -1.269 -8.785 -3.225 345 HA ALA 60 HA ALA 60 -1.487 -7.428 -0.646 346 1HB ALA 60 1HB ALA 60 -3.987 -7.508 -1.287 347 2HB ALA 60 2HB ALA 60 -3.397 -7.970 -2.883 348 3HB ALA 60 3HB ALA 60 -2.914 -6.427 -2.177 349 H ASN 61 H ASN 61 -2.428 -8.306 1.150 350 HA ASN 61 HA ASN 61 -2.375 -11.137 1.413 351 1HB ASN 61 1HB ASN 61 -2.563 -8.857 3.153 352 2HB ASN 61 2HB ASN 61 -3.804 -10.026 3.593 353 1HD2 ASN 61 1HD2 ASN 61 -3.206 -11.479 5.012 354 2HD2 ASN 61 2HD2 ASN 61 -1.597 -12.046 5.282 355 H THR 62 H THR 62 -4.971 -8.728 1.230 356 HA THR 62 HA THR 62 -6.873 -10.943 0.807 357 HB THR 62 HB THR 62 -7.905 -8.308 1.698 358 HG1 THR 62 HG1 THR 62 -6.131 -8.589 3.081 359 1HG2 THR 62 1HG2 THR 62 -9.469 -9.592 2.939 360 2HG2 THR 62 2HG2 THR 62 -8.541 -11.071 2.689 361 3HG2 THR 62 3HG2 THR 62 -9.355 -10.300 1.328 362 H CYS 63 H CYS 63 -8.448 -10.691 -0.795 363 HA CYS 63 HA CYS 63 -8.332 -8.315 -2.480 364 1HB CYS 63 1HB CYS 63 -7.890 -11.101 -3.577 365 2HB CYS 63 2HB CYS 63 -8.027 -9.623 -4.532 366 H THR 64 H THR 64 -10.393 -7.697 -2.476 367 HA THR 64 HA THR 64 -12.446 -9.729 -3.052 368 HB THR 64 HB THR 64 -13.875 -7.836 -1.742 369 HG1 THR 64 HG1 THR 64 -11.361 -7.930 -0.435 370 1HG2 THR 64 1HG2 THR 64 -12.717 -10.400 -0.987 371 2HG2 THR 64 2HG2 THR 64 -14.350 -9.773 -0.757 372 3HG2 THR 64 3HG2 THR 64 -13.073 -9.344 0.380 373 H ASP 65 H ASP 65 -13.551 -9.357 -4.857 374 HA ASP 65 HA ASP 65 -14.381 -8.338 -6.713 375 1HB ASP 65 1HB ASP 65 -15.455 -7.000 -4.707 376 2HB ASP 65 2HB ASP 65 -14.436 -5.693 -5.319 377 H SER 66 H SER 66 -11.479 -8.346 -6.224 378 HA SER 66 HA SER 66 -10.747 -6.063 -7.938 379 1HB SER 66 1HB SER 66 -9.751 -5.724 -5.762 380 2HB SER 66 2HB SER 66 -9.131 -7.378 -5.741 381 HG SER 66 HG SER 66 -8.181 -5.134 -7.068 382 H THR 67 H THR 67 -8.396 -6.631 -8.894 383 HA THR 67 HA THR 67 -8.357 -9.409 -9.798 384 HB THR 67 HB THR 67 -9.479 -7.446 -11.360 385 HG1 THR 67 HG1 THR 67 -9.540 -9.019 -12.860 386 1HG2 THR 67 1HG2 THR 67 -8.092 -6.873 -13.145 387 2HG2 THR 67 2HG2 THR 67 -6.820 -7.976 -12.621 388 3HG2 THR 67 3HG2 THR 67 -7.151 -6.509 -11.699 389 H ASN 68 H ASN 68 -6.307 -9.989 -10.888 390 HA ASN 68 HA ASN 68 -4.029 -10.086 -10.913 391 1HB ASN 68 1HB ASN 68 -4.712 -7.318 -11.442 392 2HB ASN 68 2HB ASN 68 -3.158 -7.438 -10.612 393 1HD2 ASN 68 1HD2 ASN 68 -2.181 -9.786 -11.602 394 2HD2 ASN 68 2HD2 ASN 68 -1.900 -9.633 -13.300 395 H CYS 69 H CYS 69 -4.179 -11.102 -8.779 396 HA CYS 69 HA CYS 69 -2.976 -9.400 -6.705 397 1HB CYS 69 1HB CYS 69 -5.285 -11.257 -6.552 398 2HB CYS 69 2HB CYS 69 -4.165 -11.270 -5.188 399 H TYR 70 H TYR 70 -1.931 -11.367 -8.787 400 HA TYR 70 HA TYR 70 -0.415 -13.048 -8.984 401 1HB TYR 70 1HB TYR 70 0.485 -11.172 -6.999 402 2HB TYR 70 2HB TYR 70 1.085 -12.783 -6.604 403 HD1 TYR 70 HD1 TYR 70 0.474 -11.618 -10.055 404 HD2 TYR 70 HD2 TYR 70 3.388 -12.333 -7.037 405 HE1 TYR 70 HE1 TYR 70 2.261 -11.359 -11.725 406 HE2 TYR 70 HE2 TYR 70 5.181 -12.075 -8.699 407 HH TYR 70 HH TYR 70 5.473 -10.916 -10.928 408 H LYS 71 H LYS 71 -0.411 -13.167 -5.448 409 HA LYS 71 HA LYS 71 -1.946 -15.621 -5.417 410 1HB LYS 71 1HB LYS 71 0.677 -15.970 -5.862 411 2HB LYS 71 2HB LYS 71 0.707 -15.870 -4.101 412 1HG LYS 71 1HG LYS 71 -1.404 -17.618 -4.998 413 2HG LYS 71 2HG LYS 71 0.155 -18.110 -5.662 414 1HD LYS 71 1HD LYS 71 -0.454 -17.620 -2.746 415 2HD LYS 71 2HD LYS 71 -0.285 -19.198 -3.515 416 1HE LYS 71 1HE LYS 71 1.900 -19.126 -3.130 417 2HE LYS 71 2HE LYS 71 2.022 -17.711 -4.173 418 1HZ LYS 71 1HZ LYS 71 1.510 -17.709 -1.248 419 2HZ LYS 71 2HZ LYS 71 1.494 -16.328 -2.225 420 3HZ LYS 71 3HZ LYS 71 2.926 -17.206 -2.026 421 H ALA 72 H ALA 72 -3.153 -13.877 -4.227 422 HA ALA 72 HA ALA 72 -2.218 -12.968 -1.702 423 1HB ALA 72 1HB ALA 72 -3.855 -11.592 -2.530 424 2HB ALA 72 2HB ALA 72 -4.795 -12.573 -1.405 425 3HB ALA 72 3HB ALA 72 -4.832 -12.933 -3.130 426 H THR 73 H THR 73 -3.377 -13.458 0.366 427 HA THR 73 HA THR 73 -3.413 -16.327 0.752 428 HB THR 73 HB THR 73 -2.251 -14.857 2.355 429 HG1 THR 73 HG1 THR 73 -2.709 -16.421 3.649 430 1HG2 THR 73 1HG2 THR 73 -3.325 -12.895 2.694 431 2HG2 THR 73 2HG2 THR 73 -3.962 -13.799 4.067 432 3HG2 THR 73 3HG2 THR 73 -4.928 -13.623 2.603 433 H ALA 74 H ALA 74 -5.691 -13.714 0.525 434 HA ALA 74 HA ALA 74 -7.870 -15.637 0.998 435 1HB ALA 74 1HB ALA 74 -8.358 -14.422 2.819 436 2HB ALA 74 2HB ALA 74 -9.017 -13.257 1.671 437 3HB ALA 74 3HB ALA 74 -7.377 -13.055 2.288 438 H CYS 75 H CYS 75 -7.708 -15.873 -1.360 439 HA CYS 75 HA CYS 75 -8.800 -13.599 -2.862 440 1HB CYS 75 1HB CYS 75 -6.746 -14.568 -3.770 441 2HB CYS 75 2HB CYS 75 -7.509 -16.160 -3.838 442 H THR 76 H THR 76 -10.969 -13.605 -2.790 443 HA THR 76 HA THR 76 -12.406 -16.147 -2.924 444 HB THR 76 HB THR 76 -13.412 -13.338 -2.423 445 HG1 THR 76 HG1 THR 76 -12.282 -14.018 -0.663 446 1HG2 THR 76 1HG2 THR 76 -14.948 -15.404 -3.304 447 2HG2 THR 76 2HG2 THR 76 -15.518 -14.056 -2.319 448 3HG2 THR 76 3HG2 THR 76 -15.063 -15.578 -1.553 449 H ASN 77 H ASN 77 -13.134 -12.959 -4.328 450 HA ASN 77 HA ASN 77 -13.569 -14.295 -6.917 451 1HB ASN 77 1HB ASN 77 -15.714 -13.677 -5.858 452 2HB ASN 77 2HB ASN 77 -15.173 -11.999 -5.765 453 1HD2 ASN 77 1HD2 ASN 77 -14.977 -14.453 -8.320 454 2HD2 ASN 77 2HD2 ASN 77 -15.777 -13.508 -9.524 455 H SER 78 H SER 78 -11.295 -13.660 -7.239 456 HA SER 78 HA SER 78 -11.170 -11.082 -8.557 457 1HB SER 78 1HB SER 78 -10.429 -10.284 -6.474 458 2HB SER 78 2HB SER 78 -9.530 -11.767 -6.125 459 HG SER 78 HG SER 78 -7.995 -11.164 -7.619 460 H SER 79 H SER 79 -9.524 -10.948 -10.121 461 HA SER 79 HA SER 79 -8.513 -13.528 -10.970 462 1HB SER 79 1HB SER 79 -9.450 -11.396 -12.375 463 2HB SER 79 2HB SER 79 -7.708 -11.139 -12.492 464 HG SER 79 HG SER 79 -7.484 -13.033 -13.538 465 H GLY 80 H GLY 80 -6.226 -13.655 -11.783 466 1HA GLY 80 1HA GLY 80 -3.947 -13.220 -11.548 467 2HA GLY 80 2HA GLY 80 -4.337 -11.911 -10.442 468 H CYS 81 H CYS 81 -6.021 -13.543 -8.727 469 HA CYS 81 HA CYS 81 -3.901 -15.060 -7.366 470 1HB CYS 81 1HB CYS 81 -5.351 -14.722 -5.318 471 2HB CYS 81 2HB CYS 81 -4.633 -13.256 -5.989 472 HA PRO 82 HA PRO 82 -5.864 -18.988 -7.584 473 1HB PRO 82 1HB PRO 82 -6.153 -18.947 -4.614 474 2HB PRO 82 2HB PRO 82 -5.441 -20.186 -5.662 475 1HG PRO 82 1HG PRO 82 -3.888 -18.561 -4.236 476 2HG PRO 82 2HG PRO 82 -3.440 -19.033 -5.885 477 1HD PRO 82 1HD PRO 82 -4.542 -16.450 -4.884 478 2HD PRO 82 2HD PRO 82 -3.377 -16.752 -6.189 479 H GLY 83 H GLY 83 -7.846 -18.659 -8.509 480 1HA GLY 83 1HA GLY 83 -10.018 -17.316 -7.363 481 2HA GLY 83 2HA GLY 83 -10.131 -18.501 -8.655 482 H HIS 84 H HIS 84 -10.871 -20.522 -8.217 483 HA HIS 84 HA HIS 84 -12.096 -20.911 -5.625 484 1HB HIS 84 1HB HIS 84 -13.140 -22.875 -6.638 485 2HB HIS 84 2HB HIS 84 -13.329 -21.471 -7.683 486 HD1 HIS 84 HD1 HIS 84 -10.009 -22.318 -8.294 487 HD2 HIS 84 HD2 HIS 84 -13.617 -24.103 -9.323 488 HE1 HIS 84 HE1 HIS 84 -9.493 -23.787 -10.269 489 HE2 HIS 84 HE2 HIS 84 -11.673 -24.925 -10.817
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