NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20828 | 2gl1 | 7092 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H LYS 1 1HT LYS 1 1.595 10.172 14.460 2 2H LYS 1 2HT LYS 1 2.312 8.691 13.979 3 3H LYS 1 3HT LYS 1 0.640 8.822 14.113 4 HA LYS 1 HA LYS 1 0.482 10.331 12.332 5 1HB LYS 1 2HB LYS 1 2.460 10.807 10.917 6 2HB LYS 1 1HB LYS 1 2.579 11.457 12.530 7 1HG LYS 1 2HG LYS 1 4.215 9.898 13.167 8 2HG LYS 1 1HG LYS 1 3.867 8.850 11.792 9 1HD LYS 1 2HD LYS 1 5.970 10.064 11.457 10 2HD LYS 1 1HD LYS 1 4.765 10.548 10.271 11 1HE LYS 1 2HE LYS 1 4.272 12.544 11.622 12 2HE LYS 1 1HE LYS 1 5.530 12.057 12.764 13 1HZ LYS 1 1HZ LYS 1 7.148 12.258 10.971 14 2HZ LYS 1 2HZ LYS 1 6.332 13.698 11.221 15 3HZ LYS 1 3HZ LYS 1 5.928 12.723 9.904 16 H THR 2 H THR 2 1.456 9.655 9.997 17 HA THR 2 HA THR 2 1.022 6.776 9.892 18 HB THR 2 HB THR 2 0.293 7.210 7.537 19 HG1 THR 2 1HG THR 2 0.574 9.188 6.839 20 1HG2 THR 2 1HG2 THR 2 -1.332 8.526 9.731 21 2HG2 THR 2 2HG2 THR 2 -1.342 6.812 9.322 22 3HG2 THR 2 3HG2 THR 2 -1.969 7.997 8.174 23 H CYS 3 H CYS 3 2.457 5.582 8.925 24 HA CYS 3 HA CYS 3 4.710 6.825 7.535 25 1HB CYS 3 2HB CYS 3 4.597 4.325 9.275 26 2HB CYS 3 1HB CYS 3 5.986 4.794 8.301 27 H GLU 4 H GLU 4 5.314 5.650 5.544 28 HA GLU 4 HA GLU 4 3.261 3.751 4.717 29 1HB GLU 4 2HB GLU 4 2.708 6.172 4.193 30 2HB GLU 4 1HB GLU 4 4.078 6.146 3.136 31 1HG GLU 4 2HG GLU 4 3.098 4.701 1.659 32 2HG GLU 4 1HG GLU 4 1.857 4.200 2.826 33 H ASN 5 H ASN 5 4.051 2.179 3.450 34 HA ASN 5 HA ASN 5 6.622 2.436 2.064 35 1HB ASN 5 2HB ASN 5 6.954 1.571 4.542 36 2HB ASN 5 1HB ASN 5 6.118 0.145 3.927 37 1HD2 ASN 5 1HD2 ASN 5 9.026 2.009 3.763 38 2HD2 ASN 5 2HD2 ASN 5 9.987 0.820 2.966 39 H LEU 6 H LEU 6 6.982 0.428 0.797 40 HA LEU 6 HA LEU 6 4.799 0.143 -0.894 41 1HB LEU 6 2HB LEU 6 7.452 -1.042 -0.534 42 2HB LEU 6 1HB LEU 6 6.363 -1.650 -1.747 43 HG LEU 6 HG LEU 6 7.453 1.174 -1.603 44 1HD1 LEU 6 1HD1 LEU 6 8.130 -1.121 -3.449 45 2HD1 LEU 6 2HD1 LEU 6 9.166 -0.491 -2.173 46 3HD1 LEU 6 3HD1 LEU 6 8.764 0.519 -3.564 47 1HD2 LEU 6 1HD2 LEU 6 5.254 1.077 -2.655 48 2HD2 LEU 6 2HD2 LEU 6 5.811 -0.224 -3.706 49 3HD2 LEU 6 3HD2 LEU 6 6.510 1.385 -3.852 50 H ALA 7 H ALA 7 3.471 -1.567 -1.231 51 HA ALA 7 HA ALA 7 2.989 -3.452 0.812 52 1HB ALA 7 1HB ALA 7 1.256 -2.730 -0.726 53 2HB ALA 7 2HB ALA 7 1.494 -4.475 -0.863 54 3HB ALA 7 3HB ALA 7 2.162 -3.391 -2.084 55 H ASN 8 H ASN 8 3.861 -5.372 1.098 56 HA ASN 8 HA ASN 8 6.334 -5.916 -0.258 57 1HB ASN 8 2HB ASN 8 4.959 -7.514 1.910 58 2HB ASN 8 1HB ASN 8 6.597 -7.771 1.323 59 1HD2 ASN 8 1HD2 ASN 8 4.497 -5.791 3.215 60 2HD2 ASN 8 2HD2 ASN 8 5.746 -4.839 3.949 61 H THR 9 H THR 9 3.218 -7.480 0.059 62 HA THR 9 HA THR 9 4.141 -9.562 -1.722 63 HB THR 9 HB THR 9 1.846 -10.561 -1.065 64 HG1 THR 9 1HG THR 9 2.020 -9.300 1.348 65 1HG2 THR 9 1HG2 THR 9 4.047 -10.219 0.972 66 2HG2 THR 9 2HG2 THR 9 4.030 -11.402 -0.328 67 3HG2 THR 9 3HG2 THR 9 2.832 -11.496 0.964 68 H TYR 10 H TYR 10 3.256 -6.766 -2.479 69 HA TYR 10 HA TYR 10 1.219 -7.591 -4.425 70 1HB TYR 10 2HB TYR 10 0.648 -5.581 -3.060 71 2HB TYR 10 1HB TYR 10 2.058 -4.757 -3.716 72 HD1 TYR 10 1HD TYR 10 2.017 -3.890 -6.000 73 HD2 TYR 10 2HD TYR 10 -1.331 -5.985 -4.418 74 HE1 TYR 10 1HE TYR 10 0.635 -3.076 -7.860 75 HE2 TYR 10 2HE TYR 10 -2.720 -5.173 -6.284 76 HH TYR 10 HH TYR 10 -1.353 -3.694 -9.033 77 H ARG 11 H ARG 11 2.308 -8.495 -5.963 78 HA ARG 11 HA ARG 11 4.679 -7.156 -7.015 79 1HB ARG 11 2HB ARG 11 4.965 -9.500 -6.354 80 2HB ARG 11 1HB ARG 11 3.685 -9.977 -7.456 81 1HG ARG 11 2HG ARG 11 5.904 -10.471 -8.365 82 2HG ARG 11 1HG ARG 11 5.040 -9.297 -9.358 83 1HD ARG 11 2HD ARG 11 7.410 -8.700 -9.038 84 2HD ARG 11 1HD ARG 11 6.317 -7.481 -8.390 85 HE ARG 11 HE ARG 11 7.144 -9.409 -6.456 86 1HH1 ARG 11 1HH1 ARG 11 8.122 -6.403 -8.070 87 2HH1 ARG 11 2HH1 ARG 11 9.136 -5.876 -6.817 88 1HH2 ARG 11 1HH2 ARG 11 8.516 -8.681 -4.703 89 2HH2 ARG 11 2HH2 ARG 11 9.373 -7.227 -4.819 90 H GLY 12 H GLY 12 4.137 -5.747 -8.512 91 1HA GLY 12 2HA GLY 12 3.672 -5.999 -11.014 92 2HA GLY 12 1HA GLY 12 2.051 -6.393 -10.439 93 HA PRO 13 HA PRO 13 2.551 -1.717 -10.534 94 1HB PRO 13 2HB PRO 13 0.794 -1.697 -12.877 95 2HB PRO 13 1HB PRO 13 2.369 -0.926 -12.665 96 1HG PRO 13 2HG PRO 13 2.038 -3.014 -14.315 97 2HG PRO 13 1HG PRO 13 3.524 -2.763 -13.371 98 1HD PRO 13 2HD PRO 13 1.209 -4.595 -12.776 99 2HD PRO 13 1HD PRO 13 2.954 -4.939 -12.714 100 H CYS 14 H CYS 14 0.909 -0.336 -9.893 101 HA CYS 14 HA CYS 14 -1.626 -1.619 -9.223 102 1HB CYS 14 2HB CYS 14 -0.364 -0.910 -7.285 103 2HB CYS 14 1HB CYS 14 -0.126 0.689 -7.982 104 H PHE 15 H PHE 15 -3.507 -0.595 -9.826 105 HA PHE 15 HA PHE 15 -3.148 1.801 -11.480 106 1HB PHE 15 2HB PHE 15 -5.119 -0.435 -11.982 107 2HB PHE 15 1HB PHE 15 -4.867 0.992 -12.982 108 HD1 PHE 15 1HD PHE 15 -3.886 -2.366 -12.365 109 HD2 PHE 15 2HD PHE 15 -2.542 1.315 -14.010 110 HE1 PHE 15 1HE PHE 15 -2.127 -3.558 -13.595 111 HE2 PHE 15 2HE PHE 15 -0.787 0.123 -15.248 112 HZ PHE 15 HZ PHE 15 -0.577 -2.313 -15.039 113 H THR 16 H THR 16 -4.900 0.359 -8.869 114 HA THR 16 HA THR 16 -6.526 2.776 -8.634 115 HB THR 16 HB THR 16 -7.720 -0.011 -8.431 116 HG1 THR 16 1HG THR 16 -7.314 1.674 -10.563 117 1HG2 THR 16 1HG2 THR 16 -9.015 2.721 -8.516 118 2HG2 THR 16 2HG2 THR 16 -8.835 1.711 -7.081 119 3HG2 THR 16 3HG2 THR 16 -9.860 1.171 -8.409 120 H THR 17 H THR 17 -6.837 3.392 -6.491 121 HA THR 17 HA THR 17 -5.213 2.294 -4.502 122 HB THR 17 HB THR 17 -7.425 4.324 -4.434 123 HG1 THR 17 1HG THR 17 -5.754 5.346 -5.212 124 1HG2 THR 17 1HG2 THR 17 -6.667 4.917 -2.123 125 2HG2 THR 17 2HG2 THR 17 -5.685 3.445 -2.102 126 3HG2 THR 17 3HG2 THR 17 -7.432 3.336 -2.219 127 H GLY 18 H GLY 18 -8.662 1.783 -5.156 128 1HA GLY 18 2HA GLY 18 -9.356 0.391 -2.860 129 2HA GLY 18 1HA GLY 18 -10.060 0.119 -4.445 130 H SER 19 H SER 19 -7.439 -0.715 -5.584 131 HA SER 19 HA SER 19 -7.640 -3.508 -4.990 132 1HB SER 19 2HB SER 19 -5.542 -2.045 -6.608 133 2HB SER 19 1HB SER 19 -5.990 -3.747 -6.727 134 HG SER 19 HG SER 19 -7.917 -3.196 -7.586 135 H CYS 20 H CYS 20 -5.365 -0.892 -4.486 136 HA CYS 20 HA CYS 20 -3.309 -2.391 -3.256 137 1HB CYS 20 2HB CYS 20 -2.918 -0.149 -4.335 138 2HB CYS 20 1HB CYS 20 -3.931 0.554 -3.134 139 H ASP 21 H ASP 21 -5.926 -0.350 -1.996 140 HA ASP 21 HA ASP 21 -5.174 -0.483 0.698 141 1HB ASP 21 2HB ASP 21 -6.654 1.233 -0.169 142 2HB ASP 21 1HB ASP 21 -7.928 0.028 -0.442 143 H ASP 22 H ASP 22 -7.358 -2.520 -1.196 144 HA ASP 22 HA ASP 22 -8.255 -4.053 1.020 145 1HB ASP 22 2HB ASP 22 -9.366 -4.215 -1.206 146 2HB ASP 22 1HB ASP 22 -7.941 -5.043 -1.828 147 H HIS 23 H HIS 23 -5.589 -4.361 -1.163 148 HA HIS 23 HA HIS 23 -4.561 -6.758 -0.198 149 1HB HIS 23 2HB HIS 23 -3.749 -5.876 -2.282 150 2HB HIS 23 1HB HIS 23 -3.200 -4.395 -1.506 151 HD1 HIS 23 1HD HIS 23 -2.325 -8.015 -1.884 152 HD2 HIS 23 2HD HIS 23 -0.722 -4.541 -0.301 153 HE1 HIS 23 1HE HIS 23 -0.023 -8.609 -1.202 154 HE2 HIS 23 2HE HIS 23 0.813 -6.524 0.013 155 H CYS 24 H CYS 24 -3.807 -3.439 0.761 156 HA CYS 24 HA CYS 24 -1.932 -4.256 2.676 157 1HB CYS 24 2HB CYS 24 -3.376 -1.632 2.351 158 2HB CYS 24 1HB CYS 24 -2.019 -1.891 3.446 159 H LYS 25 H LYS 25 -5.472 -3.543 2.978 160 HA LYS 25 HA LYS 25 -5.432 -3.705 5.795 161 1HB LYS 25 2HB LYS 25 -7.431 -3.589 3.621 162 2HB LYS 25 1HB LYS 25 -7.939 -4.088 5.206 163 1HG LYS 25 2HG LYS 25 -7.109 -1.914 6.093 164 2HG LYS 25 1HG LYS 25 -6.683 -1.453 4.437 165 1HD LYS 25 2HD LYS 25 -8.987 -1.631 3.743 166 2HD LYS 25 1HD LYS 25 -9.456 -2.254 5.321 167 1HE LYS 25 2HE LYS 25 -10.063 0.103 5.042 168 2HE LYS 25 1HE LYS 25 -8.896 -0.134 6.341 169 1HZ LYS 25 1HZ LYS 25 -8.115 0.691 3.599 170 2HZ LYS 25 2HZ LYS 25 -7.194 0.749 5.040 171 3HZ LYS 25 3HZ LYS 25 -8.497 1.777 4.823 172 H ASN 26 H ASN 26 -6.693 -5.794 3.227 173 HA ASN 26 HA ASN 26 -7.538 -7.823 4.997 174 1HB ASN 26 2HB ASN 26 -8.847 -7.413 3.097 175 2HB ASN 26 1HB ASN 26 -7.462 -7.420 2.033 176 1HD2 ASN 26 1HD2 ASN 26 -8.413 -8.760 0.669 177 2HD2 ASN 26 2HD2 ASN 26 -8.646 -10.446 0.953 178 H LYS 27 H LYS 27 -4.773 -7.555 2.724 179 HA LYS 27 HA LYS 27 -4.004 -10.223 3.589 180 1HB LYS 27 2HB LYS 27 -3.895 -9.788 1.124 181 2HB LYS 27 1HB LYS 27 -2.728 -8.525 1.445 182 1HG LYS 27 2HG LYS 27 -1.089 -10.069 2.155 183 2HG LYS 27 1HG LYS 27 -2.248 -11.393 2.195 184 1HD LYS 27 2HD LYS 27 -2.507 -11.261 -0.221 185 2HD LYS 27 1HD LYS 27 -1.402 -9.889 -0.275 186 1HE LYS 27 2HE LYS 27 -0.268 -11.947 -0.934 187 2HE LYS 27 1HE LYS 27 0.405 -11.304 0.559 188 1HZ LYS 27 1HZ LYS 27 -0.787 -12.983 1.804 189 2HZ LYS 27 2HZ LYS 27 0.104 -13.712 0.581 190 3HZ LYS 27 3HZ LYS 27 -1.554 -13.536 0.399 191 H GLU 28 H GLU 28 -2.586 -6.949 3.568 192 HA GLU 28 HA GLU 28 -0.423 -8.100 5.115 193 1HB GLU 28 2HB GLU 28 -0.580 -5.356 3.899 194 2HB GLU 28 1HB GLU 28 0.810 -5.967 4.792 195 1HG GLU 28 2HG GLU 28 0.563 -7.972 3.109 196 2HG GLU 28 1HG GLU 28 -0.278 -6.793 2.158 197 H HIS 29 H HIS 29 -3.224 -6.657 5.774 198 HA HIS 29 HA HIS 29 -4.236 -5.823 7.525 199 1HB HIS 29 2HB HIS 29 -2.260 -7.606 8.905 200 2HB HIS 29 1HB HIS 29 -3.477 -6.715 9.817 201 HD1 HIS 29 1HD HIS 29 -5.903 -7.461 9.579 202 HD2 HIS 29 2HD HIS 29 -3.251 -9.680 7.298 203 HE1 HIS 29 1HE HIS 29 -7.223 -9.436 8.745 204 HE2 HIS 29 2HE HIS 29 -5.649 -10.586 7.146 205 H LEU 30 H LEU 30 -2.741 -3.957 6.517 206 HA LEU 30 HA LEU 30 -1.814 -2.477 8.864 207 1HB LEU 30 2HB LEU 30 -1.179 -2.036 5.946 208 2HB LEU 30 1HB LEU 30 -0.646 -0.989 7.244 209 HG LEU 30 HG LEU 30 0.161 -3.878 6.884 210 1HD1 LEU 30 1HD1 LEU 30 1.730 -1.335 6.507 211 2HD1 LEU 30 2HD1 LEU 30 1.202 -2.444 5.238 212 3HD1 LEU 30 3HD1 LEU 30 2.383 -2.972 6.433 213 1HD2 LEU 30 1HD2 LEU 30 1.750 -3.430 8.720 214 2HD2 LEU 30 2HD2 LEU 30 0.074 -3.318 9.236 215 3HD2 LEU 30 3HD2 LEU 30 1.006 -1.847 8.958 216 H ARG 31 H ARG 31 -2.062 0.097 7.886 217 HA ARG 31 HA ARG 31 -4.727 0.633 8.685 218 1HB ARG 31 2HB ARG 31 -2.604 2.134 8.873 219 2HB ARG 31 1HB ARG 31 -2.918 2.518 7.248 220 1HG ARG 31 2HG ARG 31 -5.210 3.287 7.815 221 2HG ARG 31 1HG ARG 31 -4.771 3.110 9.518 222 1HD ARG 31 2HD ARG 31 -2.887 4.642 9.171 223 2HD ARG 31 1HD ARG 31 -3.369 4.836 7.488 224 HE ARG 31 HE ARG 31 -4.678 5.924 9.842 225 1HH1 ARG 31 1HH1 ARG 31 -5.008 5.365 6.338 226 2HH1 ARG 31 2HH1 ARG 31 -5.899 6.783 6.090 227 1HH2 ARG 31 1HH2 ARG 31 -5.907 7.859 9.449 228 2HH2 ARG 31 2HH2 ARG 31 -6.417 8.235 7.872 229 H SER 32 H SER 32 -3.112 1.489 5.677 230 HA SER 32 HA SER 32 -5.584 1.149 4.150 231 1HB SER 32 2HB SER 32 -3.982 3.680 3.967 232 2HB SER 32 1HB SER 32 -5.618 3.365 3.427 233 HG SER 32 HG SER 32 -6.349 3.402 5.536 234 H GLY 33 H GLY 33 -4.970 1.694 1.885 235 1HA GLY 33 2HA GLY 33 -2.153 1.406 1.312 236 2HA GLY 33 1HA GLY 33 -3.241 0.213 0.606 237 H ARG 34 H ARG 34 -1.610 2.530 -0.400 238 HA ARG 34 HA ARG 34 -3.756 3.649 -2.045 239 1HB ARG 34 2HB ARG 34 -1.610 5.224 -0.673 240 2HB ARG 34 1HB ARG 34 -2.404 5.785 -2.139 241 1HG ARG 34 2HG ARG 34 -4.495 5.644 -1.092 242 2HG ARG 34 1HG ARG 34 -3.783 5.118 0.447 243 1HD ARG 34 2HD ARG 34 -3.340 7.775 -0.964 244 2HD ARG 34 1HD ARG 34 -4.240 7.534 0.528 245 HE ARG 34 HE ARG 34 -1.615 6.584 0.889 246 1HH1 ARG 34 1HH1 ARG 34 -3.283 9.709 0.476 247 2HH1 ARG 34 2HH1 ARG 34 -2.147 10.563 1.403 248 1HH2 ARG 34 1HH2 ARG 34 -0.067 7.775 2.061 249 2HH2 ARG 34 2HH2 ARG 34 -0.223 9.459 2.305 250 H CYS 35 H CYS 35 -3.468 4.166 -3.887 251 HA CYS 35 HA CYS 35 -1.211 2.838 -5.188 252 1HB CYS 35 2HB CYS 35 -3.658 2.422 -5.687 253 2HB CYS 35 1HB CYS 35 -3.661 4.005 -6.471 254 H ARG 36 H ARG 36 0.387 4.236 -5.360 255 HA ARG 36 HA ARG 36 -0.364 7.018 -5.441 256 1HB ARG 36 2HB ARG 36 2.362 5.916 -4.909 257 2HB ARG 36 1HB ARG 36 1.843 7.585 -4.705 258 1HG ARG 36 2HG ARG 36 0.079 6.633 -3.132 259 2HG ARG 36 1HG ARG 36 1.057 5.173 -3.141 260 1HD ARG 36 2HD ARG 36 1.682 7.903 -2.079 261 2HD ARG 36 1HD ARG 36 1.845 6.342 -1.287 262 HE ARG 36 HE ARG 36 3.596 6.518 -3.481 263 1HH1 ARG 36 1HH1 ARG 36 3.181 7.293 -0.060 264 2HH1 ARG 36 2HH1 ARG 36 4.761 7.849 0.192 265 1HH2 ARG 36 1HH2 ARG 36 5.830 7.259 -3.166 266 2HH2 ARG 36 2HH2 ARG 36 6.317 7.816 -1.629 267 H ASP 37 H ASP 37 1.509 8.395 -6.524 268 HA ASP 37 HA ASP 37 1.039 8.304 -9.274 269 1HB ASP 37 2HB ASP 37 1.595 10.346 -8.035 270 2HB ASP 37 1HB ASP 37 3.214 9.731 -7.749 271 H ASP 38 H ASP 38 3.487 6.880 -7.377 272 HA ASP 38 HA ASP 38 5.344 6.373 -9.505 273 1HB ASP 38 2HB ASP 38 6.561 5.110 -7.743 274 2HB ASP 38 1HB ASP 38 6.196 6.769 -7.296 275 H PHE 39 H PHE 39 2.449 5.087 -8.908 276 HA PHE 39 HA PHE 39 1.292 3.399 -9.776 277 1HB PHE 39 2HB PHE 39 3.814 2.602 -11.265 278 2HB PHE 39 1HB PHE 39 2.214 1.952 -11.537 279 HD1 PHE 39 1HD PHE 39 0.391 3.441 -12.340 280 HD2 PHE 39 2HD PHE 39 4.460 4.658 -12.239 281 HE1 PHE 39 1HE PHE 39 -0.115 5.247 -13.930 282 HE2 PHE 39 2HE PHE 39 3.966 6.468 -13.820 283 HZ PHE 39 HZ PHE 39 1.671 6.767 -14.670 284 H ARG 40 H ARG 40 3.299 2.905 -7.370 285 HA ARG 40 HA ARG 40 2.658 0.072 -7.403 286 1HB ARG 40 2HB ARG 40 4.879 1.460 -5.905 287 2HB ARG 40 1HB ARG 40 4.381 -0.190 -5.575 288 1HG ARG 40 2HG ARG 40 4.900 -0.761 -7.936 289 2HG ARG 40 1HG ARG 40 5.523 0.873 -8.152 290 1HD ARG 40 2HD ARG 40 7.355 -0.652 -7.731 291 2HD ARG 40 1HD ARG 40 7.177 0.448 -6.368 292 HE ARG 40 HE ARG 40 5.803 -1.630 -5.455 293 1HH1 ARG 40 1HH1 ARG 40 8.881 -1.658 -7.186 294 2HH1 ARG 40 2HH1 ARG 40 9.490 -3.040 -6.401 295 1HH2 ARG 40 1HH2 ARG 40 6.661 -3.510 -4.312 296 2HH2 ARG 40 2HH2 ARG 40 8.222 -4.083 -4.690 297 H CYS 41 H CYS 41 2.260 -0.847 -5.252 298 HA CYS 41 HA CYS 41 0.188 0.684 -3.982 299 1HB CYS 41 2HB CYS 41 -0.248 -1.557 -4.660 300 2HB CYS 41 1HB CYS 41 1.121 -2.181 -3.741 301 H TRP 42 H TRP 42 0.536 1.737 -2.187 302 HA TRP 42 HA TRP 42 2.840 1.052 -0.503 303 1HB TRP 42 2HB TRP 42 1.486 3.685 -1.072 304 2HB TRP 42 1HB TRP 42 2.579 3.429 0.280 305 HD1 TRP 42 HD TRP 42 2.673 3.116 -3.580 306 HE1 TRP 42 1HE TRP 42 4.996 3.795 -4.367 307 HE3 TRP 42 3HE TRP 42 4.785 3.932 0.973 308 HZ2 TRP 42 2HZ TRP 42 7.479 4.576 -3.168 309 HZ3 TRP 42 3HZ TRP 42 7.084 4.643 1.103 310 HH2 TRP 42 HH TRP 42 8.446 4.967 -0.935 311 H CYS 43 H CYS 43 2.286 0.425 1.473 312 HA CYS 43 HA CYS 43 -0.506 0.610 2.266 313 1HB CYS 43 2HB CYS 43 1.795 -0.926 3.485 314 2HB CYS 43 1HB CYS 43 0.115 -1.017 3.990 315 H THR 44 H THR 44 -1.120 1.893 3.966 316 HA THR 44 HA THR 44 0.892 3.686 5.032 317 HB THR 44 HB THR 44 -2.128 3.701 5.358 318 HG1 THR 44 1HG THR 44 -0.598 5.118 3.362 319 1HG2 THR 44 1HG2 THR 44 -1.777 6.099 5.841 320 2HG2 THR 44 2HG2 THR 44 -0.035 5.851 5.659 321 3HG2 THR 44 3HG2 THR 44 -0.907 5.053 6.962 322 H ARG 45 H ARG 45 1.344 3.502 7.263 323 HA ARG 45 HA ARG 45 -0.438 1.855 8.843 324 1HB ARG 45 2HB ARG 45 1.482 0.729 9.945 325 2HB ARG 45 1HB ARG 45 1.303 0.307 8.253 326 1HG ARG 45 2HG ARG 45 3.134 1.841 7.694 327 2HG ARG 45 1HG ARG 45 3.320 2.223 9.411 328 1HD ARG 45 2HD ARG 45 3.813 -0.109 9.890 329 2HD ARG 45 1HD ARG 45 3.572 -0.526 8.199 330 HE ARG 45 HE ARG 45 5.571 1.480 8.611 331 1HH1 ARG 45 1HH1 ARG 45 4.974 -2.029 8.414 332 2HH1 ARG 45 2HH1 ARG 45 6.604 -2.397 8.153 333 1HH2 ARG 45 1HH2 ARG 45 7.808 0.913 8.268 334 2HH2 ARG 45 2HH2 ARG 45 8.237 -0.734 8.086 335 H ASN 46 H ASN 46 -0.569 2.410 11.017 336 HA ASN 46 HA ASN 46 -0.039 5.091 11.578 337 1HB ASN 46 2HB ASN 46 -1.182 2.752 13.012 338 2HB ASN 46 1HB ASN 46 -0.863 4.250 13.847 339 1HD2 ASN 46 1HD2 ASN 46 -2.871 2.570 11.620 340 2HD2 ASN 46 2HD2 ASN 46 -4.058 3.814 11.438 341 H CYS 47 H CYS 47 1.587 5.971 12.705 342 HA CYS 47 HA CYS 47 3.194 4.289 14.388 343 1HB CYS 47 2HB CYS 47 5.242 5.549 13.452 344 2HB CYS 47 1HB CYS 47 4.552 4.308 12.418 Start of MODEL 2 1 1H LYS 1 1HT LYS 1 2.795 8.079 13.701 2 2H LYS 1 2HT LYS 1 1.159 8.330 13.457 3 3H LYS 1 3HT LYS 1 2.043 9.476 14.333 4 HA LYS 1 HA LYS 1 1.693 10.276 12.074 5 1HB LYS 1 2HB LYS 1 4.435 9.024 12.185 6 2HB LYS 1 1HB LYS 1 3.970 10.452 11.299 7 1HG LYS 1 2HG LYS 1 3.713 11.747 13.278 8 2HG LYS 1 1HG LYS 1 3.881 10.328 14.300 9 1HD LYS 1 2HD LYS 1 6.028 11.419 12.492 10 2HD LYS 1 1HD LYS 1 5.929 11.731 14.226 11 1HE LYS 1 2HE LYS 1 6.073 9.251 14.604 12 2HE LYS 1 1HE LYS 1 6.327 9.047 12.877 13 1HZ LYS 1 1HZ LYS 1 8.345 10.337 13.045 14 2HZ LYS 1 2HZ LYS 1 8.383 9.040 14.141 15 3HZ LYS 1 3HZ LYS 1 8.078 10.598 14.686 16 H THR 2 H THR 2 2.717 9.632 9.749 17 HA THR 2 HA THR 2 1.976 6.847 9.348 18 HB THR 2 HB THR 2 1.222 7.579 7.062 19 HG1 THR 2 1HG THR 2 2.063 9.714 7.151 20 1HG2 THR 2 1HG2 THR 2 -1.041 8.220 7.866 21 2HG2 THR 2 2HG2 THR 2 -0.365 8.486 9.475 22 3HG2 THR 2 3HG2 THR 2 -0.364 6.867 8.776 23 H CYS 3 H CYS 3 3.268 5.678 8.296 24 HA CYS 3 HA CYS 3 5.464 6.870 6.766 25 1HB CYS 3 2HB CYS 3 5.554 4.464 8.629 26 2HB CYS 3 1HB CYS 3 6.864 4.923 7.546 27 H GLU 4 H GLU 4 5.750 5.886 4.732 28 HA GLU 4 HA GLU 4 3.759 3.815 4.148 29 1HB GLU 4 2HB GLU 4 3.222 6.243 3.581 30 2HB GLU 4 1HB GLU 4 4.514 6.119 2.426 31 1HG GLU 4 2HG GLU 4 3.358 4.504 1.169 32 2HG GLU 4 1HG GLU 4 2.084 4.378 2.389 33 H ASN 5 H ASN 5 4.393 2.281 2.724 34 HA ASN 5 HA ASN 5 6.893 2.493 1.248 35 1HB ASN 5 2HB ASN 5 6.368 0.288 3.292 36 2HB ASN 5 1HB ASN 5 7.543 0.170 2.005 37 1HD2 ASN 5 1HD2 ASN 5 9.434 1.233 2.176 38 2HD2 ASN 5 2HD2 ASN 5 10.002 1.978 3.616 39 H LEU 6 H LEU 6 7.077 0.808 -0.296 40 HA LEU 6 HA LEU 6 4.750 0.436 -1.736 41 1HB LEU 6 2HB LEU 6 7.453 -0.739 -1.675 42 2HB LEU 6 1HB LEU 6 6.295 -1.112 -2.928 43 HG LEU 6 HG LEU 6 7.272 1.694 -2.358 44 1HD1 LEU 6 1HD1 LEU 6 8.267 -0.264 -4.430 45 2HD1 LEU 6 2HD1 LEU 6 9.164 0.280 -3.013 46 3HD1 LEU 6 3HD1 LEU 6 8.742 1.426 -4.284 47 1HD2 LEU 6 1HD2 LEU 6 6.416 2.131 -4.602 48 2HD2 LEU 6 2HD2 LEU 6 5.144 1.531 -3.541 49 3HD2 LEU 6 3HD2 LEU 6 5.882 0.457 -4.730 50 H ALA 7 H ALA 7 3.394 -1.333 -1.866 51 HA ALA 7 HA ALA 7 3.159 -3.107 0.273 52 1HB ALA 7 1HB ALA 7 1.559 -4.285 -1.181 53 2HB ALA 7 2HB ALA 7 2.104 -3.271 -2.528 54 3HB ALA 7 3HB ALA 7 1.299 -2.541 -1.145 55 H ASN 8 H ASN 8 3.796 -5.122 0.562 56 HA ASN 8 HA ASN 8 6.228 -5.859 -0.815 57 1HB ASN 8 2HB ASN 8 4.816 -7.134 1.534 58 2HB ASN 8 1HB ASN 8 6.404 -7.590 0.927 59 1HD2 ASN 8 1HD2 ASN 8 4.563 -5.162 2.605 60 2HD2 ASN 8 2HD2 ASN 8 5.917 -4.286 3.229 61 H THR 9 H THR 9 2.968 -7.032 -0.437 62 HA THR 9 HA THR 9 3.712 -9.282 -2.140 63 HB THR 9 HB THR 9 1.583 -10.387 -1.218 64 HG1 THR 9 1HG THR 9 1.884 -8.193 0.577 65 1HG2 THR 9 1HG2 THR 9 3.874 -9.768 0.640 66 2HG2 THR 9 2HG2 THR 9 3.827 -11.081 -0.538 67 3HG2 THR 9 3HG2 THR 9 2.738 -11.095 0.849 68 H TYR 10 H TYR 10 2.586 -6.479 -2.642 69 HA TYR 10 HA TYR 10 0.495 -7.313 -4.568 70 1HB TYR 10 2HB TYR 10 0.021 -5.378 -2.900 71 2HB TYR 10 1HB TYR 10 1.233 -4.483 -3.792 72 HD1 TYR 10 1HD TYR 10 0.686 -4.586 -6.520 73 HD2 TYR 10 2HD TYR 10 -2.147 -4.778 -3.356 74 HE1 TYR 10 1HE TYR 10 -1.040 -3.697 -8.022 75 HE2 TYR 10 2HE TYR 10 -3.885 -3.900 -4.854 76 HH TYR 10 HH TYR 10 -3.474 -3.729 -8.197 77 H ARG 11 H ARG 11 1.150 -7.340 -6.662 78 HA ARG 11 HA ARG 11 3.504 -5.800 -7.379 79 1HB ARG 11 2HB ARG 11 4.188 -8.098 -6.663 80 2HB ARG 11 1HB ARG 11 3.214 -8.733 -7.981 81 1HG ARG 11 2HG ARG 11 4.602 -7.508 -9.576 82 2HG ARG 11 1HG ARG 11 5.602 -6.925 -8.242 83 1HD ARG 11 2HD ARG 11 5.180 -9.789 -9.058 84 2HD ARG 11 1HD ARG 11 6.646 -8.834 -9.287 85 HE ARG 11 HE ARG 11 6.039 -8.834 -6.575 86 1HH1 ARG 11 1HH1 ARG 11 7.080 -11.115 -9.062 87 2HH1 ARG 11 2HH1 ARG 11 7.797 -12.206 -7.971 88 1HH2 ARG 11 1HH2 ARG 11 7.012 -10.317 -5.068 89 2HH2 ARG 11 2HH2 ARG 11 7.823 -11.704 -5.628 90 H GLY 12 H GLY 12 3.183 -4.863 -9.297 91 1HA GLY 12 2HA GLY 12 2.560 -5.355 -11.643 92 2HA GLY 12 1HA GLY 12 1.033 -5.934 -10.979 93 HA PRO 13 HA PRO 13 0.852 -1.324 -11.949 94 1HB PRO 13 2HB PRO 13 -1.262 -2.100 -13.843 95 2HB PRO 13 1HB PRO 13 0.149 -1.072 -14.106 96 1HG PRO 13 2HG PRO 13 -0.023 -3.531 -15.181 97 2HG PRO 13 1HG PRO 13 1.520 -2.857 -14.626 98 1HD PRO 13 2HD PRO 13 -0.284 -4.819 -13.255 99 2HD PRO 13 1HD PRO 13 1.486 -4.827 -13.406 100 H CYS 14 H CYS 14 -0.129 -0.704 -10.190 101 HA CYS 14 HA CYS 14 -2.693 -1.691 -9.348 102 1HB CYS 14 2HB CYS 14 -1.039 -1.284 -7.645 103 2HB CYS 14 1HB CYS 14 -0.754 0.344 -8.245 104 H PHE 15 H PHE 15 -4.530 -0.635 -9.617 105 HA PHE 15 HA PHE 15 -4.402 2.047 -10.812 106 1HB PHE 15 2HB PHE 15 -6.449 -0.093 -11.420 107 2HB PHE 15 1HB PHE 15 -6.491 1.550 -12.043 108 HD1 PHE 15 1HD PHE 15 -5.301 -1.759 -12.562 109 HD2 PHE 15 2HD PHE 15 -4.488 2.322 -13.450 110 HE1 PHE 15 1HE PHE 15 -3.892 -2.454 -14.454 111 HE2 PHE 15 2HE PHE 15 -3.082 1.633 -15.347 112 HZ PHE 15 HZ PHE 15 -2.783 -0.757 -15.850 113 H THR 16 H THR 16 -6.066 -0.017 -8.492 114 HA THR 16 HA THR 16 -7.700 2.290 -7.766 115 HB THR 16 HB THR 16 -8.381 -0.628 -7.383 116 HG1 THR 16 1HG THR 16 -9.592 -0.400 -9.206 117 1HG2 THR 16 1HG2 THR 16 -10.648 0.244 -6.961 118 2HG2 THR 16 2HG2 THR 16 -10.051 1.893 -7.142 119 3HG2 THR 16 3HG2 THR 16 -9.493 0.896 -5.798 120 H THR 17 H THR 17 -7.364 3.141 -5.855 121 HA THR 17 HA THR 17 -5.517 2.248 -4.007 122 HB THR 17 HB THR 17 -7.675 4.320 -3.959 123 HG1 THR 17 1HG THR 17 -6.048 5.068 -5.108 124 1HG2 THR 17 1HG2 THR 17 -5.757 3.689 -1.696 125 2HG2 THR 17 2HG2 THR 17 -7.513 3.700 -1.633 126 3HG2 THR 17 3HG2 THR 17 -6.630 5.209 -1.860 127 H GLY 18 H GLY 18 -9.041 1.777 -4.063 128 1HA GLY 18 2HA GLY 18 -9.391 0.711 -1.523 129 2HA GLY 18 1HA GLY 18 -10.352 0.287 -2.932 130 H SER 19 H SER 19 -8.172 -0.851 -4.432 131 HA SER 19 HA SER 19 -8.320 -3.505 -3.453 132 1HB SER 19 2HB SER 19 -6.610 -2.327 -5.653 133 2HB SER 19 1HB SER 19 -7.026 -4.030 -5.449 134 HG SER 19 HG SER 19 -8.921 -3.693 -6.217 135 H CYS 20 H CYS 20 -5.828 -1.069 -3.750 136 HA CYS 20 HA CYS 20 -3.652 -2.475 -2.682 137 1HB CYS 20 2HB CYS 20 -3.457 -0.297 -3.928 138 2HB CYS 20 1HB CYS 20 -4.307 0.473 -2.642 139 H ASP 21 H ASP 21 -6.029 -0.319 -1.217 140 HA ASP 21 HA ASP 21 -5.161 -0.242 1.422 141 1HB ASP 21 2HB ASP 21 -6.759 1.290 0.650 142 2HB ASP 21 1HB ASP 21 -7.904 0.026 0.185 143 H ASP 22 H ASP 22 -7.611 -2.386 0.015 144 HA ASP 22 HA ASP 22 -8.135 -3.836 2.363 145 1HB ASP 22 2HB ASP 22 -9.611 -3.984 0.427 146 2HB ASP 22 1HB ASP 22 -8.331 -4.737 -0.516 147 H HIS 23 H HIS 23 -5.857 -4.351 -0.221 148 HA HIS 23 HA HIS 23 -4.790 -6.805 0.571 149 1HB HIS 23 2HB HIS 23 -4.382 -5.937 -1.636 150 2HB HIS 23 1HB HIS 23 -3.616 -4.496 -0.983 151 HD1 HIS 23 1HD HIS 23 -3.004 -8.143 -1.573 152 HD2 HIS 23 2HD HIS 23 -0.955 -4.772 -0.305 153 HE1 HIS 23 1HE HIS 23 -0.621 -8.801 -1.500 154 HE2 HIS 23 2HE HIS 23 0.502 -6.810 -0.375 155 H CYS 24 H CYS 24 -3.656 -3.517 1.263 156 HA CYS 24 HA CYS 24 -1.446 -4.251 2.818 157 1HB CYS 24 2HB CYS 24 -3.078 -1.724 2.700 158 2HB CYS 24 1HB CYS 24 -1.554 -1.804 3.550 159 H LYS 25 H LYS 25 -4.875 -3.603 3.742 160 HA LYS 25 HA LYS 25 -4.405 -3.600 6.485 161 1HB LYS 25 2HB LYS 25 -6.770 -3.930 4.703 162 2HB LYS 25 1HB LYS 25 -6.887 -4.045 6.436 163 1HG LYS 25 2HG LYS 25 -6.065 -1.732 6.631 164 2HG LYS 25 1HG LYS 25 -5.950 -1.650 4.868 165 1HD LYS 25 2HD LYS 25 -8.336 -2.004 4.659 166 2HD LYS 25 1HD LYS 25 -8.484 -2.214 6.400 167 1HE LYS 25 2HE LYS 25 -7.600 0.312 5.000 168 2HE LYS 25 1HE LYS 25 -9.208 0.018 5.652 169 1HZ LYS 25 1HZ LYS 25 -6.679 0.187 7.200 170 2HZ LYS 25 2HZ LYS 25 -8.179 -0.214 7.858 171 3HZ LYS 25 3HZ LYS 25 -7.934 1.311 7.200 172 H ASN 26 H ASN 26 -5.610 -6.052 4.178 173 HA ASN 26 HA ASN 26 -6.067 -7.907 6.289 174 1HB ASN 26 2HB ASN 26 -7.670 -7.849 4.563 175 2HB ASN 26 1HB ASN 26 -6.449 -8.058 3.315 176 1HD2 ASN 26 1HD2 ASN 26 -5.783 -10.072 2.802 177 2HD2 ASN 26 2HD2 ASN 26 -6.423 -11.504 3.515 178 H LYS 27 H LYS 27 -3.773 -7.855 3.532 179 HA LYS 27 HA LYS 27 -2.731 -10.374 4.565 180 1HB LYS 27 2HB LYS 27 -3.183 -10.164 2.104 181 2HB LYS 27 1HB LYS 27 -1.932 -8.938 2.026 182 1HG LYS 27 2HG LYS 27 -0.245 -10.535 2.663 183 2HG LYS 27 1HG LYS 27 -1.466 -11.779 2.912 184 1HD LYS 27 2HD LYS 27 -2.035 -11.677 0.518 185 2HD LYS 27 1HD LYS 27 -0.787 -10.450 0.286 186 1HE LYS 27 2HE LYS 27 0.916 -12.039 1.029 187 2HE LYS 27 1HE LYS 27 -0.325 -13.261 1.286 188 1HZ LYS 27 1HZ LYS 27 0.841 -13.545 -0.845 189 2HZ LYS 27 2HZ LYS 27 0.286 -12.022 -1.346 190 3HZ LYS 27 3HZ LYS 27 -0.805 -13.248 -1.051 191 H GLU 28 H GLU 28 -1.729 -7.044 4.132 192 HA GLU 28 HA GLU 28 0.852 -7.826 5.178 193 1HB GLU 28 2HB GLU 28 0.017 -5.216 3.931 194 2HB GLU 28 1HB GLU 28 1.646 -5.558 4.501 195 1HG GLU 28 2HG GLU 28 1.506 -7.648 2.991 196 2HG GLU 28 1HG GLU 28 0.111 -6.892 2.293 197 H HIS 29 H HIS 29 -1.967 -6.801 6.355 198 HA HIS 29 HA HIS 29 -2.742 -5.856 8.238 199 1HB HIS 29 2HB HIS 29 -1.826 -8.020 9.096 200 2HB HIS 29 1HB HIS 29 -0.325 -7.200 9.505 201 HD1 HIS 29 1HD HIS 29 -0.211 -6.462 11.893 202 HD2 HIS 29 2HD HIS 29 -4.129 -6.750 10.562 203 HE1 HIS 29 1HE HIS 29 -1.639 -5.925 13.876 204 HE2 HIS 29 2HE HIS 29 -3.952 -5.802 12.954 205 H LEU 30 H LEU 30 -1.732 -3.957 6.928 206 HA LEU 30 HA LEU 30 -0.331 -2.331 8.910 207 1HB LEU 30 2HB LEU 30 -0.402 -2.083 5.907 208 2HB LEU 30 1HB LEU 30 0.383 -0.939 6.984 209 HG LEU 30 HG LEU 30 1.151 -3.845 6.692 210 1HD1 LEU 30 1HD1 LEU 30 2.469 -1.359 5.667 211 2HD1 LEU 30 2HD1 LEU 30 1.713 -2.636 4.703 212 3HD1 LEU 30 3HD1 LEU 30 3.174 -2.974 5.630 213 1HD2 LEU 30 1HD2 LEU 30 3.130 -3.196 7.998 214 2HD2 LEU 30 2HD2 LEU 30 1.637 -3.035 8.912 215 3HD2 LEU 30 3HD2 LEU 30 2.425 -1.601 8.251 216 H ARG 31 H ARG 31 -0.921 0.154 7.840 217 HA ARG 31 HA ARG 31 -3.389 0.635 9.148 218 1HB ARG 31 2HB ARG 31 -1.421 2.277 8.881 219 2HB ARG 31 1HB ARG 31 -1.935 2.429 7.252 220 1HG ARG 31 2HG ARG 31 -4.134 3.252 7.917 221 2HG ARG 31 1HG ARG 31 -3.624 3.167 9.603 222 1HD ARG 31 2HD ARG 31 -1.906 4.800 9.222 223 2HD ARG 31 1HD ARG 31 -2.252 4.817 7.493 224 HE ARG 31 HE ARG 31 -3.943 5.884 9.630 225 1HH1 ARG 31 1HH1 ARG 31 -3.277 5.563 6.158 226 2HH1 ARG 31 2HH1 ARG 31 -4.397 6.747 5.684 227 1HH2 ARG 31 1HH2 ARG 31 -5.455 7.531 8.965 228 2HH2 ARG 31 2HH2 ARG 31 -5.639 7.912 7.315 229 H SER 32 H SER 32 -2.494 1.357 5.810 230 HA SER 32 HA SER 32 -5.025 0.534 4.682 231 1HB SER 32 2HB SER 32 -4.154 3.433 4.476 232 2HB SER 32 1HB SER 32 -5.668 2.711 3.956 233 HG SER 32 HG SER 32 -6.437 3.223 5.817 234 H GLY 33 H GLY 33 -4.789 1.444 2.293 235 1HA GLY 33 2HA GLY 33 -1.992 1.461 1.525 236 2HA GLY 33 1HA GLY 33 -3.056 0.244 0.813 237 H ARG 34 H ARG 34 -1.626 2.531 -0.342 238 HA ARG 34 HA ARG 34 -3.927 3.595 -1.737 239 1HB ARG 34 2HB ARG 34 -1.775 5.272 -0.522 240 2HB ARG 34 1HB ARG 34 -2.688 5.809 -1.929 241 1HG ARG 34 2HG ARG 34 -4.690 5.584 -0.776 242 2HG ARG 34 1HG ARG 34 -3.890 5.020 0.707 243 1HD ARG 34 2HD ARG 34 -3.650 7.736 -0.614 244 2HD ARG 34 1HD ARG 34 -4.391 7.373 0.944 245 HE ARG 34 HE ARG 34 -1.621 6.619 0.779 246 1HH1 ARG 34 1HH1 ARG 34 -3.876 9.165 1.704 247 2HH1 ARG 34 2HH1 ARG 34 -2.694 10.097 2.501 248 1HH2 ARG 34 1HH2 ARG 34 -0.047 7.815 1.879 249 2HH2 ARG 34 2HH2 ARG 34 -0.424 9.309 2.616 250 H CYS 35 H CYS 35 -3.768 4.165 -3.636 251 HA CYS 35 HA CYS 35 -1.565 2.812 -4.987 252 1HB CYS 35 2HB CYS 35 -3.984 2.160 -5.347 253 2HB CYS 35 1HB CYS 35 -4.184 3.715 -6.155 254 H ARG 36 H ARG 36 -0.055 4.141 -5.562 255 HA ARG 36 HA ARG 36 -0.757 6.931 -5.959 256 1HB ARG 36 2HB ARG 36 1.869 5.645 -5.239 257 2HB ARG 36 1HB ARG 36 1.710 7.343 -5.669 258 1HG ARG 36 2HG ARG 36 0.249 7.753 -3.818 259 2HG ARG 36 1HG ARG 36 0.172 6.040 -3.444 260 1HD ARG 36 2HD ARG 36 1.648 7.336 -1.936 261 2HD ARG 36 1HD ARG 36 2.456 6.016 -2.763 262 HE ARG 36 HE ARG 36 2.842 8.336 -4.263 263 1HH1 ARG 36 1HH1 ARG 36 3.668 7.155 -1.009 264 2HH1 ARG 36 2HH1 ARG 36 5.203 7.893 -1.008 265 1HH2 ARG 36 1HH2 ARG 36 4.973 9.360 -4.195 266 2HH2 ARG 36 2HH2 ARG 36 5.951 9.137 -2.826 267 H ASP 37 H ASP 37 1.092 8.005 -7.437 268 HA ASP 37 HA ASP 37 0.264 7.159 -10.027 269 1HB ASP 37 2HB ASP 37 1.996 9.453 -9.134 270 2HB ASP 37 1HB ASP 37 1.611 9.147 -10.824 271 H ASP 38 H ASP 38 2.565 5.923 -8.244 272 HA ASP 38 HA ASP 38 4.635 5.418 -10.205 273 1HB ASP 38 2HB ASP 38 3.883 3.854 -7.720 274 2HB ASP 38 1HB ASP 38 5.343 3.634 -8.661 275 H PHE 39 H PHE 39 1.456 4.466 -9.679 276 HA PHE 39 HA PHE 39 0.063 2.830 -10.290 277 1HB PHE 39 2HB PHE 39 2.323 2.037 -12.162 278 2HB PHE 39 1HB PHE 39 0.798 1.172 -12.104 279 HD1 PHE 39 1HD PHE 39 -1.243 2.188 -12.942 280 HD2 PHE 39 2HD PHE 39 2.486 4.223 -13.193 281 HE1 PHE 39 1HE PHE 39 -2.199 3.730 -14.594 282 HE2 PHE 39 2HE PHE 39 1.531 5.766 -14.847 283 HZ PHE 39 HZ PHE 39 -0.813 5.522 -15.549 284 H ARG 40 H ARG 40 1.855 2.730 -8.133 285 HA ARG 40 HA ARG 40 1.987 -0.148 -7.751 286 1HB ARG 40 2HB ARG 40 3.968 1.866 -6.633 287 2HB ARG 40 1HB ARG 40 3.957 0.137 -6.335 288 1HG ARG 40 2HG ARG 40 4.308 -0.277 -8.721 289 2HG ARG 40 1HG ARG 40 4.382 1.463 -8.993 290 1HD ARG 40 2HD ARG 40 6.621 0.574 -8.860 291 2HD ARG 40 1HD ARG 40 6.294 1.578 -7.447 292 HE ARG 40 HE ARG 40 5.635 -0.887 -6.602 293 1HH1 ARG 40 1HH1 ARG 40 8.554 0.463 -8.062 294 2HH1 ARG 40 2HH1 ARG 40 9.612 -0.655 -7.337 295 1HH2 ARG 40 1HH2 ARG 40 7.043 -2.381 -5.571 296 2HH2 ARG 40 2HH2 ARG 40 8.732 -2.307 -5.857 297 H CYS 41 H CYS 41 1.514 -0.882 -5.711 298 HA CYS 41 HA CYS 41 -0.288 0.742 -4.189 299 1HB CYS 41 2HB CYS 41 -0.840 -1.508 -4.674 300 2HB CYS 41 1HB CYS 41 0.669 -2.115 -4.008 301 H TRP 42 H TRP 42 0.285 1.847 -2.484 302 HA TRP 42 HA TRP 42 2.820 1.280 -1.116 303 1HB TRP 42 2HB TRP 42 1.218 3.800 -1.518 304 2HB TRP 42 1HB TRP 42 2.436 3.661 -0.272 305 HD1 TRP 42 HD TRP 42 2.107 3.724 -4.132 306 HE1 TRP 42 1HE TRP 42 4.370 4.596 -5.079 307 HE3 TRP 42 3HE TRP 42 4.891 3.873 0.213 308 HZ2 TRP 42 2HZ TRP 42 6.896 5.168 -4.158 309 HZ3 TRP 42 3HZ TRP 42 7.171 4.590 0.080 310 HH2 TRP 42 HH TRP 42 8.201 5.225 -2.018 311 H CYS 43 H CYS 43 2.484 0.459 0.866 312 HA CYS 43 HA CYS 43 -0.153 0.688 2.098 313 1HB CYS 43 2HB CYS 43 2.235 -0.979 2.906 314 2HB CYS 43 1HB CYS 43 0.643 -1.025 3.640 315 H THR 44 H THR 44 -0.434 1.972 3.863 316 HA THR 44 HA THR 44 1.930 3.357 4.774 317 HB THR 44 HB THR 44 0.314 4.895 3.881 318 HG1 THR 44 1HG THR 44 0.705 6.142 5.457 319 1HG2 THR 44 1HG2 THR 44 -1.697 3.530 3.936 320 2HG2 THR 44 2HG2 THR 44 -1.997 5.086 4.703 321 3HG2 THR 44 3HG2 THR 44 -1.753 3.648 5.694 322 H ARG 45 H ARG 45 2.100 3.610 7.044 323 HA ARG 45 HA ARG 45 0.578 1.693 8.661 324 1HB ARG 45 2HB ARG 45 2.661 0.907 9.699 325 2HB ARG 45 1HB ARG 45 2.668 0.591 7.971 326 1HG ARG 45 2HG ARG 45 4.067 2.604 7.636 327 2HG ARG 45 1HG ARG 45 4.105 2.830 9.382 328 1HD ARG 45 2HD ARG 45 6.125 1.757 8.594 329 2HD ARG 45 1HD ARG 45 5.219 0.669 9.631 330 HE ARG 45 HE ARG 45 5.072 0.499 6.691 331 1HH1 ARG 45 1HH1 ARG 45 5.464 -1.094 9.830 332 2HH1 ARG 45 2HH1 ARG 45 5.772 -2.619 9.169 333 1HH2 ARG 45 1HH2 ARG 45 5.522 -1.560 5.791 334 2HH2 ARG 45 2HH2 ARG 45 5.846 -2.895 6.793 335 H ASN 46 H ASN 46 0.442 2.357 10.957 336 HA ASN 46 HA ASN 46 0.911 5.096 11.317 337 1HB ASN 46 2HB ASN 46 -0.065 2.884 13.107 338 2HB ASN 46 1HB ASN 46 0.164 4.559 13.566 339 1HD2 ASN 46 1HD2 ASN 46 -1.840 2.296 11.933 340 2HD2 ASN 46 2HD2 ASN 46 -3.163 3.339 11.601 341 H CYS 47 H CYS 47 2.721 5.814 12.008 342 HA CYS 47 HA CYS 47 4.457 4.026 13.486 343 1HB CYS 47 2HB CYS 47 6.396 5.369 12.522 344 2HB CYS 47 1HB CYS 47 5.566 4.303 11.396 Start of MODEL 3 1 1H LYS 1 1HT LYS 1 3.019 6.978 14.513 2 2H LYS 1 2HT LYS 1 1.462 7.599 14.474 3 3H LYS 1 3HT LYS 1 2.696 8.511 15.170 4 HA LYS 1 HA LYS 1 2.175 9.347 12.944 5 1HB LYS 1 2HB LYS 1 4.639 7.627 12.678 6 2HB LYS 1 1HB LYS 1 4.325 9.168 11.912 7 1HG LYS 1 2HG LYS 1 4.576 10.328 14.011 8 2HG LYS 1 1HG LYS 1 4.750 8.793 14.862 9 1HD LYS 1 2HD LYS 1 6.647 9.913 12.795 10 2HD LYS 1 1HD LYS 1 6.929 9.838 14.530 11 1HE LYS 1 2HE LYS 1 6.701 7.504 12.609 12 2HE LYS 1 1HE LYS 1 8.135 8.047 13.465 13 1HZ LYS 1 1HZ LYS 1 5.728 6.732 14.653 14 2HZ LYS 1 2HZ LYS 1 6.916 7.440 15.587 15 3HZ LYS 1 3HZ LYS 1 7.297 6.144 14.598 16 H THR 2 H THR 2 2.696 8.512 10.533 17 HA THR 2 HA THR 2 1.849 5.759 10.380 18 HB THR 2 HB THR 2 0.852 6.380 8.150 19 HG1 THR 2 1HG THR 2 0.629 8.959 9.323 20 1HG2 THR 2 1HG2 THR 2 -1.319 7.085 9.154 21 2HG2 THR 2 2HG2 THR 2 -0.478 7.406 10.670 22 3HG2 THR 2 3HG2 THR 2 -0.555 5.765 10.039 23 H CYS 3 H CYS 3 3.032 4.543 9.267 24 HA CYS 3 HA CYS 3 5.263 5.704 7.760 25 1HB CYS 3 2HB CYS 3 5.119 3.119 9.340 26 2HB CYS 3 1HB CYS 3 6.463 3.566 8.294 27 H GLU 4 H GLU 4 5.416 5.115 5.687 28 HA GLU 4 HA GLU 4 3.453 3.154 4.738 29 1HB GLU 4 2HB GLU 4 2.997 5.613 4.357 30 2HB GLU 4 1HB GLU 4 4.428 5.617 3.369 31 1HG GLU 4 2HG GLU 4 3.429 4.006 1.886 32 2HG GLU 4 1HG GLU 4 1.959 4.011 2.853 33 H ASN 5 H ASN 5 4.212 1.668 3.409 34 HA ASN 5 HA ASN 5 6.755 1.977 2.039 35 1HB ASN 5 2HB ASN 5 6.156 -0.258 4.011 36 2HB ASN 5 1HB ASN 5 7.392 -0.370 2.767 37 1HD2 ASN 5 1HD2 ASN 5 9.227 0.892 2.958 38 2HD2 ASN 5 2HD2 ASN 5 9.717 1.577 4.473 39 H LEU 6 H LEU 6 7.029 0.348 0.435 40 HA LEU 6 HA LEU 6 4.821 0.124 -1.186 41 1HB LEU 6 2HB LEU 6 7.476 -1.133 -0.988 42 2HB LEU 6 1HB LEU 6 6.397 -1.434 -2.330 43 HG LEU 6 HG LEU 6 7.357 1.333 -1.585 44 1HD1 LEU 6 1HD1 LEU 6 8.979 1.128 -3.362 45 2HD1 LEU 6 2HD1 LEU 6 8.466 -0.527 -3.671 46 3HD1 LEU 6 3HD1 LEU 6 9.270 -0.123 -2.151 47 1HD2 LEU 6 1HD2 LEU 6 6.681 1.850 -3.861 48 2HD2 LEU 6 2HD2 LEU 6 5.327 1.215 -2.931 49 3HD2 LEU 6 3HD2 LEU 6 6.162 0.183 -4.094 50 H ALA 7 H ALA 7 3.418 -1.525 -1.544 51 HA ALA 7 HA ALA 7 2.918 -3.434 0.431 52 1HB ALA 7 1HB ALA 7 1.326 -4.363 -1.176 53 2HB ALA 7 2HB ALA 7 2.027 -3.335 -2.434 54 3HB ALA 7 3HB ALA 7 1.200 -2.610 -1.058 55 H ASN 8 H ASN 8 3.741 -5.290 0.791 56 HA ASN 8 HA ASN 8 6.106 -6.174 -0.465 57 1HB ASN 8 2HB ASN 8 4.316 -7.617 1.495 58 2HB ASN 8 1HB ASN 8 5.942 -8.116 1.050 59 1HD2 ASN 8 1HD2 ASN 8 4.007 -5.831 2.831 60 2HD2 ASN 8 2HD2 ASN 8 5.320 -5.140 3.708 61 H THR 9 H THR 9 2.784 -7.246 -0.614 62 HA THR 9 HA THR 9 3.657 -9.336 -2.478 63 HB THR 9 HB THR 9 1.329 -10.344 -1.894 64 HG1 THR 9 1HG THR 9 1.810 -8.497 0.223 65 1HG2 THR 9 1HG2 THR 9 3.613 -10.277 0.080 66 2HG2 THR 9 2HG2 THR 9 3.463 -11.380 -1.289 67 3HG2 THR 9 3HG2 THR 9 2.332 -11.488 0.061 68 H TYR 10 H TYR 10 2.738 -6.459 -2.929 69 HA TYR 10 HA TYR 10 0.666 -7.104 -4.909 70 1HB TYR 10 2HB TYR 10 0.297 -5.151 -3.324 71 2HB TYR 10 1HB TYR 10 1.627 -4.342 -4.147 72 HD1 TYR 10 1HD TYR 10 1.340 -3.759 -6.618 73 HD2 TYR 10 2HD TYR 10 -1.883 -5.110 -4.191 74 HE1 TYR 10 1HE TYR 10 -0.266 -2.841 -8.242 75 HE2 TYR 10 2HE TYR 10 -3.493 -4.202 -5.810 76 HH TYR 10 HH TYR 10 -2.627 -3.279 -8.894 77 H ARG 11 H ARG 11 1.723 -7.859 -6.537 78 HA ARG 11 HA ARG 11 4.192 -6.529 -7.373 79 1HB ARG 11 2HB ARG 11 4.300 -8.941 -6.752 80 2HB ARG 11 1HB ARG 11 3.191 -9.285 -8.065 81 1HG ARG 11 2HG ARG 11 4.812 -8.622 -9.694 82 2HG ARG 11 1HG ARG 11 5.896 -8.030 -8.432 83 1HD ARG 11 2HD ARG 11 6.060 -10.293 -7.520 84 2HD ARG 11 1HD ARG 11 5.008 -10.883 -8.802 85 HE ARG 11 HE ARG 11 6.917 -9.788 -10.228 86 1HH1 ARG 11 1HH1 ARG 11 7.268 -11.784 -7.305 87 2HH1 ARG 11 2HH1 ARG 11 8.699 -12.529 -7.826 88 1HH2 ARG 11 1HH2 ARG 11 8.913 -10.813 -10.917 89 2HH2 ARG 11 2HH2 ARG 11 9.667 -11.944 -9.893 90 H GLY 12 H GLY 12 4.145 -5.377 -9.158 91 1HA GLY 12 2HA GLY 12 3.445 -5.293 -11.509 92 2HA GLY 12 1HA GLY 12 1.831 -5.704 -10.937 93 HA PRO 13 HA PRO 13 2.291 -1.069 -10.906 94 1HB PRO 13 2HB PRO 13 0.536 -0.827 -13.166 95 2HB PRO 13 1HB PRO 13 2.239 -0.376 -13.060 96 1HG PRO 13 2HG PRO 13 1.287 -2.425 -14.621 97 2HG PRO 13 1HG PRO 13 2.943 -2.320 -13.995 98 1HD PRO 13 2HD PRO 13 0.622 -3.900 -12.947 99 2HD PRO 13 1HD PRO 13 2.329 -4.376 -13.099 100 H CYS 14 H CYS 14 0.826 0.234 -10.029 101 HA CYS 14 HA CYS 14 -1.832 -0.846 -9.475 102 1HB CYS 14 2HB CYS 14 -0.478 -0.534 -7.497 103 2HB CYS 14 1HB CYS 14 -0.078 1.108 -7.983 104 H PHE 15 H PHE 15 -3.573 0.380 -10.001 105 HA PHE 15 HA PHE 15 -3.055 3.012 -11.183 106 1HB PHE 15 2HB PHE 15 -4.989 0.918 -12.196 107 2HB PHE 15 1HB PHE 15 -4.851 2.553 -12.825 108 HD1 PHE 15 1HD PHE 15 -2.774 3.235 -14.018 109 HD2 PHE 15 2HD PHE 15 -3.493 -0.796 -12.864 110 HE1 PHE 15 1HE PHE 15 -1.054 2.474 -15.606 111 HE2 PHE 15 2HE PHE 15 -1.773 -1.564 -14.444 112 HZ PHE 15 HZ PHE 15 -0.551 0.072 -15.819 113 H THR 16 H THR 16 -4.620 1.403 -8.685 114 HA THR 16 HA THR 16 -6.461 3.620 -8.359 115 HB THR 16 HB THR 16 -7.431 0.745 -8.477 116 HG1 THR 16 1HG THR 16 -7.129 2.675 -10.279 117 1HG2 THR 16 1HG2 THR 16 -8.659 2.060 -6.783 118 2HG2 THR 16 2HG2 THR 16 -9.686 1.701 -8.171 119 3HG2 THR 16 3HG2 THR 16 -8.982 3.307 -7.989 120 H THR 17 H THR 17 -6.338 4.324 -6.291 121 HA THR 17 HA THR 17 -4.986 3.043 -4.230 122 HB THR 17 HB THR 17 -6.965 5.323 -4.225 123 HG1 THR 17 1HG THR 17 -5.252 6.523 -4.496 124 1HG2 THR 17 1HG2 THR 17 -6.091 5.880 -1.943 125 2HG2 THR 17 2HG2 THR 17 -5.310 4.287 -1.898 126 3HG2 THR 17 3HG2 THR 17 -7.055 4.412 -1.990 127 H GLY 18 H GLY 18 -8.407 2.998 -5.032 128 1HA GLY 18 2HA GLY 18 -9.373 1.701 -2.732 129 2HA GLY 18 1HA GLY 18 -10.110 1.614 -4.326 130 H SER 19 H SER 19 -7.527 0.429 -5.393 131 HA SER 19 HA SER 19 -8.191 -2.319 -4.807 132 1HB SER 19 2HB SER 19 -6.081 -1.198 -6.654 133 2HB SER 19 1HB SER 19 -6.786 -2.815 -6.702 134 HG SER 19 HG SER 19 -8.770 -1.882 -7.279 135 H CYS 20 H CYS 20 -5.602 0.019 -4.350 136 HA CYS 20 HA CYS 20 -3.687 -1.806 -3.320 137 1HB CYS 20 2HB CYS 20 -3.001 0.430 -4.272 138 2HB CYS 20 1HB CYS 20 -3.860 1.202 -3.006 139 H ASP 21 H ASP 21 -6.004 0.439 -1.795 140 HA ASP 21 HA ASP 21 -5.296 -0.019 0.878 141 1HB ASP 21 2HB ASP 21 -6.791 1.817 0.103 142 2HB ASP 21 1HB ASP 21 -8.062 0.631 -0.190 143 H ASP 22 H ASP 22 -7.582 -1.646 -1.210 144 HA ASP 22 HA ASP 22 -8.668 -3.543 0.525 145 1HB ASP 22 2HB ASP 22 -9.568 -3.369 -1.692 146 2HB ASP 22 1HB ASP 22 -8.002 -3.710 -2.415 147 H HIS 23 H HIS 23 -5.786 -3.756 -1.449 148 HA HIS 23 HA HIS 23 -4.995 -6.333 -0.686 149 1HB HIS 23 2HB HIS 23 -4.059 -5.350 -2.674 150 2HB HIS 23 1HB HIS 23 -3.417 -3.991 -1.762 151 HD1 HIS 23 1HD HIS 23 -2.789 -7.657 -2.415 152 HD2 HIS 23 2HD HIS 23 -0.954 -4.402 -0.607 153 HE1 HIS 23 1HE HIS 23 -0.531 -8.431 -1.800 154 HE2 HIS 23 2HE HIS 23 0.442 -6.527 -0.447 155 H CYS 24 H CYS 24 -3.967 -3.177 0.523 156 HA CYS 24 HA CYS 24 -2.132 -4.218 2.366 157 1HB CYS 24 2HB CYS 24 -3.497 -1.531 2.280 158 2HB CYS 24 1HB CYS 24 -2.101 -1.911 3.281 159 H LYS 25 H LYS 25 -5.621 -3.373 2.727 160 HA LYS 25 HA LYS 25 -5.577 -3.770 5.505 161 1HB LYS 25 2HB LYS 25 -7.570 -3.349 3.384 162 2HB LYS 25 1HB LYS 25 -8.105 -4.017 4.898 163 1HG LYS 25 2HG LYS 25 -7.081 -1.994 6.011 164 2HG LYS 25 1HG LYS 25 -6.804 -1.352 4.386 165 1HD LYS 25 2HD LYS 25 -9.147 -1.413 3.888 166 2HD LYS 25 1HD LYS 25 -9.501 -2.234 5.403 167 1HE LYS 25 2HE LYS 25 -10.078 0.114 5.519 168 2HE LYS 25 1HE LYS 25 -8.768 -0.264 6.634 169 1HZ LYS 25 1HZ LYS 25 -8.301 0.837 3.935 170 2HZ LYS 25 2HZ LYS 25 -7.218 0.767 5.245 171 3HZ LYS 25 3HZ LYS 25 -8.534 1.812 5.280 172 H ASN 26 H ASN 26 -6.898 -5.659 2.758 173 HA ASN 26 HA ASN 26 -7.807 -7.654 4.532 174 1HB ASN 26 2HB ASN 26 -9.145 -7.189 2.647 175 2HB ASN 26 1HB ASN 26 -7.804 -7.421 1.539 176 1HD2 ASN 26 1HD2 ASN 26 -7.370 -9.429 0.803 177 2HD2 ASN 26 2HD2 ASN 26 -8.289 -10.824 1.243 178 H LYS 27 H LYS 27 -5.035 -7.467 2.335 179 HA LYS 27 HA LYS 27 -4.478 -10.243 3.074 180 1HB LYS 27 2HB LYS 27 -4.361 -9.313 0.627 181 2HB LYS 27 1HB LYS 27 -2.815 -8.671 1.132 182 1HG LYS 27 2HG LYS 27 -2.997 -11.468 1.822 183 2HG LYS 27 1HG LYS 27 -3.360 -11.229 0.119 184 1HD LYS 27 2HD LYS 27 -1.044 -11.589 0.175 185 2HD LYS 27 1HD LYS 27 -1.202 -9.843 0.047 186 1HE LYS 27 2HE LYS 27 0.507 -10.304 1.668 187 2HE LYS 27 1HE LYS 27 -0.922 -9.723 2.527 188 1HZ LYS 27 1HZ LYS 27 -1.462 -12.014 3.098 189 2HZ LYS 27 2HZ LYS 27 0.074 -11.617 3.639 190 3HZ LYS 27 3HZ LYS 27 -0.096 -12.557 2.269 191 H GLU 28 H GLU 28 -2.944 -7.029 3.223 192 HA GLU 28 HA GLU 28 -0.766 -8.297 4.645 193 1HB GLU 28 2HB GLU 28 -0.923 -5.485 3.583 194 2HB GLU 28 1HB GLU 28 0.482 -6.157 4.403 195 1HG GLU 28 2HG GLU 28 0.199 -8.057 2.617 196 2HG GLU 28 1HG GLU 28 -0.680 -6.836 1.749 197 H HIS 29 H HIS 29 -3.559 -6.874 5.439 198 HA HIS 29 HA HIS 29 -4.521 -5.982 7.216 199 1HB HIS 29 2HB HIS 29 -4.018 -8.281 8.040 200 2HB HIS 29 1HB HIS 29 -2.541 -7.674 8.772 201 HD1 HIS 29 1HD HIS 29 -2.747 -6.935 11.148 202 HD2 HIS 29 2HD HIS 29 -6.429 -7.014 9.240 203 HE1 HIS 29 1HE HIS 29 -4.450 -6.477 12.936 204 HE2 HIS 29 2HE HIS 29 -6.548 -6.125 11.665 205 H LEU 30 H LEU 30 -3.000 -4.131 6.247 206 HA LEU 30 HA LEU 30 -1.892 -2.846 8.625 207 1HB LEU 30 2HB LEU 30 -1.324 -2.218 5.728 208 2HB LEU 30 1HB LEU 30 -0.714 -1.290 7.075 209 HG LEU 30 HG LEU 30 0.003 -4.142 6.395 210 1HD1 LEU 30 1HD1 LEU 30 2.274 -3.200 6.164 211 2HD1 LEU 30 2HD1 LEU 30 1.584 -1.584 6.352 212 3HD1 LEU 30 3HD1 LEU 30 1.123 -2.595 4.983 213 1HD2 LEU 30 1HD2 LEU 30 -0.101 -3.927 8.812 214 2HD2 LEU 30 2HD2 LEU 30 0.882 -2.468 8.752 215 3HD2 LEU 30 3HD2 LEU 30 1.578 -4.020 8.289 216 H ARG 31 H ARG 31 -2.024 -0.224 7.881 217 HA ARG 31 HA ARG 31 -4.647 0.359 8.790 218 1HB ARG 31 2HB ARG 31 -2.470 1.743 9.085 219 2HB ARG 31 1HB ARG 31 -2.759 2.276 7.494 220 1HG ARG 31 2HG ARG 31 -5.021 3.102 8.113 221 2HG ARG 31 1HG ARG 31 -4.609 2.777 9.798 222 1HD ARG 31 2HD ARG 31 -2.688 4.280 9.611 223 2HD ARG 31 1HD ARG 31 -3.103 4.607 7.931 224 HE ARG 31 HE ARG 31 -4.460 5.544 10.316 225 1HH1 ARG 31 1HH1 ARG 31 -4.767 5.219 6.785 226 2HH1 ARG 31 2HH1 ARG 31 -5.565 6.699 6.583 227 1HH2 ARG 31 1HH2 ARG 31 -5.601 7.570 10.011 228 2HH2 ARG 31 2HH2 ARG 31 -6.084 8.044 8.445 229 H SER 32 H SER 32 -3.017 1.353 5.795 230 HA SER 32 HA SER 32 -5.487 1.178 4.275 231 1HB SER 32 2HB SER 32 -3.898 3.747 4.316 232 2HB SER 32 1HB SER 32 -5.482 3.458 3.634 233 HG SER 32 HG SER 32 -6.395 3.760 5.481 234 H GLY 33 H GLY 33 -4.813 1.998 1.995 235 1HA GLY 33 2HA GLY 33 -2.010 1.580 1.435 236 2HA GLY 33 1HA GLY 33 -3.154 0.493 0.650 237 H ARG 34 H ARG 34 -1.369 2.746 -0.238 238 HA ARG 34 HA ARG 34 -3.429 4.164 -1.778 239 1HB ARG 34 2HB ARG 34 -1.037 5.359 -0.445 240 2HB ARG 34 1HB ARG 34 -1.811 6.120 -1.819 241 1HG ARG 34 2HG ARG 34 -3.864 6.106 -0.634 242 2HG ARG 34 1HG ARG 34 -3.070 5.515 0.848 243 1HD ARG 34 2HD ARG 34 -2.661 8.154 -0.601 244 2HD ARG 34 1HD ARG 34 -3.204 7.917 1.058 245 HE ARG 34 HE ARG 34 -0.706 6.809 1.020 246 1HH1 ARG 34 1HH1 ARG 34 -1.993 10.029 0.328 247 2HH1 ARG 34 2HH1 ARG 34 -0.515 10.833 0.571 248 1HH2 ARG 34 1HH2 ARG 34 1.245 7.828 1.326 249 2HH2 ARG 34 2HH2 ARG 34 1.455 9.524 1.167 250 H CYS 35 H CYS 35 -3.112 4.775 -3.602 251 HA CYS 35 HA CYS 35 -1.010 3.296 -5.002 252 1HB CYS 35 2HB CYS 35 -3.465 2.918 -5.481 253 2HB CYS 35 1HB CYS 35 -3.473 4.529 -6.198 254 H ARG 36 H ARG 36 0.621 4.572 -5.305 255 HA ARG 36 HA ARG 36 0.114 7.419 -5.397 256 1HB ARG 36 2HB ARG 36 2.568 5.856 -4.682 257 2HB ARG 36 1HB ARG 36 2.534 7.610 -4.833 258 1HG ARG 36 2HG ARG 36 0.837 7.751 -3.089 259 2HG ARG 36 1HG ARG 36 0.817 6.004 -2.959 260 1HD ARG 36 2HD ARG 36 2.150 7.180 -1.204 261 2HD ARG 36 1HD ARG 36 3.021 5.948 -2.109 262 HE ARG 36 HE ARG 36 3.404 8.419 -3.340 263 1HH1 ARG 36 1HH1 ARG 36 4.176 6.925 -0.214 264 2HH1 ARG 36 2HH1 ARG 36 5.773 7.517 -0.173 265 1HH2 ARG 36 1HH2 ARG 36 5.592 9.276 -3.267 266 2HH2 ARG 36 2HH2 ARG 36 6.596 8.918 -1.959 267 H ASP 37 H ASP 37 2.071 8.591 -6.545 268 HA ASP 37 HA ASP 37 1.416 8.368 -9.293 269 1HB ASP 37 2HB ASP 37 3.575 10.010 -7.983 270 2HB ASP 37 1HB ASP 37 3.062 10.166 -9.656 271 H ASP 38 H ASP 38 3.724 6.791 -7.505 272 HA ASP 38 HA ASP 38 5.495 6.331 -9.726 273 1HB ASP 38 2HB ASP 38 6.693 4.855 -8.057 274 2HB ASP 38 1HB ASP 38 6.622 6.568 -7.656 275 H PHE 39 H PHE 39 2.574 5.271 -9.033 276 HA PHE 39 HA PHE 39 1.235 3.634 -9.757 277 1HB PHE 39 2HB PHE 39 3.581 2.882 -11.535 278 2HB PHE 39 1HB PHE 39 1.989 2.155 -11.629 279 HD1 PHE 39 1HD PHE 39 3.965 5.118 -12.372 280 HD2 PHE 39 2HD PHE 39 0.065 3.420 -12.395 281 HE1 PHE 39 1HE PHE 39 3.192 6.913 -13.867 282 HE2 PHE 39 2HE PHE 39 -0.713 5.211 -13.889 283 HZ PHE 39 HZ PHE 39 0.852 6.959 -14.624 284 H ARG 40 H ARG 40 2.968 3.242 -7.489 285 HA ARG 40 HA ARG 40 2.778 0.339 -7.404 286 1HB ARG 40 2HB ARG 40 4.760 2.168 -6.063 287 2HB ARG 40 1HB ARG 40 4.546 0.479 -5.622 288 1HG ARG 40 2HG ARG 40 5.202 1.351 -8.415 289 2HG ARG 40 1HG ARG 40 6.446 1.000 -7.207 290 1HD ARG 40 2HD ARG 40 4.290 -0.930 -8.073 291 2HD ARG 40 1HD ARG 40 5.941 -0.925 -8.698 292 HE ARG 40 HE ARG 40 6.495 -1.094 -6.194 293 1HH1 ARG 40 1HH1 ARG 40 3.897 -2.896 -7.889 294 2HH1 ARG 40 2HH1 ARG 40 3.940 -4.173 -6.754 295 1HH2 ARG 40 1HH2 ARG 40 6.525 -2.939 -4.732 296 2HH2 ARG 40 2HH2 ARG 40 5.457 -4.229 -4.982 297 H CYS 41 H CYS 41 2.175 -0.546 -5.416 298 HA CYS 41 HA CYS 41 0.192 1.030 -4.043 299 1HB CYS 41 2HB CYS 41 -0.411 -1.081 -4.858 300 2HB CYS 41 1HB CYS 41 0.922 -1.907 -4.055 301 H TRP 42 H TRP 42 0.572 1.884 -2.182 302 HA TRP 42 HA TRP 42 2.938 1.116 -0.625 303 1HB TRP 42 2HB TRP 42 1.514 3.725 -1.060 304 2HB TRP 42 1HB TRP 42 2.608 3.473 0.285 305 HD1 TRP 42 HD TRP 42 2.609 3.665 -3.572 306 HE1 TRP 42 1HE TRP 42 4.967 4.353 -4.338 307 HE3 TRP 42 3HE TRP 42 4.971 3.568 0.971 308 HZ2 TRP 42 2HZ TRP 42 7.500 4.832 -3.118 309 HZ3 TRP 42 3HZ TRP 42 7.278 4.170 1.108 310 HH2 TRP 42 HH TRP 42 8.563 4.784 -0.878 311 H CYS 43 H CYS 43 2.363 0.204 1.273 312 HA CYS 43 HA CYS 43 -0.361 0.554 2.260 313 1HB CYS 43 2HB CYS 43 1.819 -1.353 3.147 314 2HB CYS 43 1HB CYS 43 0.158 -1.320 3.735 315 H THR 44 H THR 44 -0.717 1.630 4.239 316 HA THR 44 HA THR 44 1.682 2.775 5.400 317 HB THR 44 HB THR 44 0.330 4.455 4.183 318 HG1 THR 44 1HG THR 44 1.031 5.666 5.701 319 1HG2 THR 44 1HG2 THR 44 -1.843 3.380 4.338 320 2HG2 THR 44 2HG2 THR 44 -1.927 5.049 4.893 321 3HG2 THR 44 3HG2 THR 44 -1.908 3.729 6.067 322 H ARG 45 H ARG 45 1.659 2.843 7.662 323 HA ARG 45 HA ARG 45 -0.490 1.411 9.031 324 1HB ARG 45 2HB ARG 45 1.117 -0.111 10.107 325 2HB ARG 45 1HB ARG 45 1.096 -0.323 8.362 326 1HG ARG 45 2HG ARG 45 3.121 1.109 8.223 327 2HG ARG 45 1HG ARG 45 3.170 1.129 9.983 328 1HD ARG 45 2HD ARG 45 3.381 -1.337 9.969 329 2HD ARG 45 1HD ARG 45 3.391 -1.298 8.203 330 HE ARG 45 HE ARG 45 5.350 0.243 9.697 331 1HH1 ARG 45 1HH1 ARG 45 4.756 -2.640 7.682 332 2HH1 ARG 45 2HH1 ARG 45 6.332 -2.715 7.102 333 1HH2 ARG 45 1HH2 ARG 45 7.553 0.085 8.901 334 2HH2 ARG 45 2HH2 ARG 45 7.958 -1.150 7.805 335 H ASN 46 H ASN 46 -0.556 1.854 11.323 336 HA ASN 46 HA ASN 46 0.435 4.329 12.091 337 1HB ASN 46 2HB ASN 46 -0.894 2.030 13.489 338 2HB ASN 46 1HB ASN 46 -0.359 3.475 14.315 339 1HD2 ASN 46 1HD2 ASN 46 -2.729 2.092 12.181 340 2HD2 ASN 46 2HD2 ASN 46 -3.770 3.474 12.152 341 H CYS 47 H CYS 47 2.290 4.785 13.039 342 HA CYS 47 HA CYS 47 3.839 2.666 14.276 343 1HB CYS 47 2HB CYS 47 5.912 3.524 13.158 344 2HB CYS 47 1HB CYS 47 4.753 2.812 12.044 Start of MODEL 4 1 1H LYS 1 1HT LYS 1 4.912 11.034 12.404 2 2H LYS 1 2HT LYS 1 6.260 10.225 11.825 3 3H LYS 1 3HT LYS 1 6.169 10.579 13.464 4 HA LYS 1 HA LYS 1 5.807 8.305 12.971 5 1HB LYS 1 2HB LYS 1 3.519 7.997 13.989 6 2HB LYS 1 1HB LYS 1 4.660 8.894 14.940 7 1HG LYS 1 2HG LYS 1 2.492 9.911 15.169 8 2HG LYS 1 1HG LYS 1 3.457 10.998 14.179 9 1HD LYS 1 2HD LYS 1 2.345 10.181 12.169 10 2HD LYS 1 1HD LYS 1 1.463 8.990 13.121 11 1HE LYS 1 2HE LYS 1 1.236 11.974 13.481 12 2HE LYS 1 1HE LYS 1 0.111 10.997 12.540 13 1HZ LYS 1 1HZ LYS 1 0.636 10.685 15.453 14 2HZ LYS 1 2HZ LYS 1 -0.452 9.777 14.547 15 3HZ LYS 1 3HZ LYS 1 -0.715 11.411 14.776 16 H THR 2 H THR 2 3.898 6.852 12.471 17 HA THR 2 HA THR 2 3.019 5.620 10.870 18 HB THR 2 HB THR 2 1.597 6.611 9.086 19 HG1 THR 2 1HG THR 2 2.786 8.839 9.712 20 1HG2 THR 2 1HG2 THR 2 0.610 5.796 11.120 21 2HG2 THR 2 2HG2 THR 2 -0.227 7.277 10.653 22 3HG2 THR 2 3HG2 THR 2 0.964 7.308 11.952 23 H CYS 3 H CYS 3 3.801 4.482 9.465 24 HA CYS 3 HA CYS 3 5.926 5.590 7.772 25 1HB CYS 3 2HB CYS 3 5.595 2.861 9.057 26 2HB CYS 3 1HB CYS 3 6.878 3.255 7.918 27 H GLU 4 H GLU 4 6.113 4.538 5.605 28 HA GLU 4 HA GLU 4 3.798 2.999 4.805 29 1HB GLU 4 2HB GLU 4 3.360 5.498 4.529 30 2HB GLU 4 1HB GLU 4 4.637 5.477 3.339 31 1HG GLU 4 2HG GLU 4 3.454 4.027 1.939 32 2HG GLU 4 1HG GLU 4 2.235 3.730 3.181 33 H ASN 5 H ASN 5 4.355 1.523 3.314 34 HA ASN 5 HA ASN 5 6.755 1.821 1.697 35 1HB ASN 5 2HB ASN 5 6.445 -0.370 3.764 36 2HB ASN 5 1HB ASN 5 7.490 -0.532 2.360 37 1HD2 ASN 5 1HD2 ASN 5 9.357 0.690 2.259 38 2HD2 ASN 5 2HD2 ASN 5 10.041 1.485 3.620 39 H LEU 6 H LEU 6 6.920 0.259 0.048 40 HA LEU 6 HA LEU 6 4.676 -0.032 -1.424 41 1HB LEU 6 2HB LEU 6 7.294 -1.422 -1.310 42 2HB LEU 6 1HB LEU 6 6.114 -1.687 -2.566 43 HG LEU 6 HG LEU 6 7.296 1.026 -1.991 44 1HD1 LEU 6 1HD1 LEU 6 8.180 -1.047 -4.000 45 2HD1 LEU 6 2HD1 LEU 6 9.088 -0.542 -2.576 46 3HD1 LEU 6 3HD1 LEU 6 8.786 0.604 -3.885 47 1HD2 LEU 6 1HD2 LEU 6 6.537 1.487 -4.257 48 2HD2 LEU 6 2HD2 LEU 6 5.195 0.993 -3.230 49 3HD2 LEU 6 3HD2 LEU 6 5.893 -0.147 -4.383 50 H ALA 7 H ALA 7 3.204 -1.620 -1.668 51 HA ALA 7 HA ALA 7 2.701 -3.558 0.284 52 1HB ALA 7 1HB ALA 7 1.826 -3.404 -2.590 53 2HB ALA 7 2HB ALA 7 0.979 -2.723 -1.197 54 3HB ALA 7 3HB ALA 7 1.129 -4.473 -1.378 55 H ASN 8 H ASN 8 3.395 -5.581 0.522 56 HA ASN 8 HA ASN 8 5.837 -6.365 -0.667 57 1HB ASN 8 2HB ASN 8 3.892 -7.891 1.063 58 2HB ASN 8 1HB ASN 8 5.433 -8.547 0.540 59 1HD2 ASN 8 1HD2 ASN 8 3.832 -6.279 2.609 60 2HD2 ASN 8 2HD2 ASN 8 5.205 -5.897 3.590 61 H THR 9 H THR 9 2.523 -7.447 -1.102 62 HA THR 9 HA THR 9 3.503 -9.275 -3.175 63 HB THR 9 HB THR 9 1.109 -10.265 -2.845 64 HG1 THR 9 1HG THR 9 1.566 -9.229 -0.249 65 1HG2 THR 9 1HG2 THR 9 3.371 -10.594 -0.877 66 2HG2 THR 9 2HG2 THR 9 3.136 -11.499 -2.375 67 3HG2 THR 9 3HG2 THR 9 2.013 -11.699 -1.034 68 H TYR 10 H TYR 10 2.713 -6.363 -3.471 69 HA TYR 10 HA TYR 10 0.603 -6.784 -5.477 70 1HB TYR 10 2HB TYR 10 0.283 -4.988 -3.773 71 2HB TYR 10 1HB TYR 10 1.656 -4.135 -4.478 72 HD1 TYR 10 1HD TYR 10 1.428 -3.105 -6.728 73 HD2 TYR 10 2HD TYR 10 -1.875 -4.969 -4.807 74 HE1 TYR 10 1HE TYR 10 -0.103 -1.961 -8.262 75 HE2 TYR 10 2HE TYR 10 -3.419 -3.828 -6.346 76 HH TYR 10 HH TYR 10 -2.322 -2.239 -9.151 77 H ARG 11 H ARG 11 1.739 -7.663 -7.019 78 HA ARG 11 HA ARG 11 4.133 -6.325 -8.030 79 1HB ARG 11 2HB ARG 11 4.142 -8.791 -7.550 80 2HB ARG 11 1HB ARG 11 2.941 -8.987 -8.808 81 1HG ARG 11 2HG ARG 11 5.058 -9.628 -9.691 82 2HG ARG 11 1HG ARG 11 4.596 -8.105 -10.444 83 1HD ARG 11 2HD ARG 11 6.422 -8.269 -8.051 84 2HD ARG 11 1HD ARG 11 7.020 -8.331 -9.703 85 HE ARG 11 HE ARG 11 5.692 -6.104 -9.824 86 1HH1 ARG 11 1HH1 ARG 11 7.661 -7.207 -7.102 87 2HH1 ARG 11 2HH1 ARG 11 8.302 -5.675 -6.740 88 1HH2 ARG 11 1HH2 ARG 11 6.563 -3.951 -9.289 89 2HH2 ARG 11 2HH2 ARG 11 7.665 -3.795 -8.010 90 H GLY 12 H GLY 12 3.265 -4.605 -9.142 91 1HA GLY 12 2HA GLY 12 2.794 -4.646 -11.717 92 2HA GLY 12 1HA GLY 12 1.201 -5.089 -11.109 93 HA PRO 13 HA PRO 13 1.725 -0.398 -11.080 94 1HB PRO 13 2HB PRO 13 -0.422 -0.474 -13.102 95 2HB PRO 13 1HB PRO 13 1.087 0.440 -13.116 96 1HG PRO 13 2HG PRO 13 0.761 -1.626 -14.748 97 2HG PRO 13 1HG PRO 13 2.316 -1.324 -13.936 98 1HD PRO 13 2HD PRO 13 0.149 -3.274 -13.168 99 2HD PRO 13 1HD PRO 13 1.901 -3.552 -13.306 100 H CYS 14 H CYS 14 0.371 0.879 -10.014 101 HA CYS 14 HA CYS 14 -1.860 -0.369 -8.703 102 1HB CYS 14 2HB CYS 14 -0.210 0.801 -7.365 103 2HB CYS 14 1HB CYS 14 -0.476 2.274 -8.286 104 H PHE 15 H PHE 15 -3.888 0.317 -8.835 105 HA PHE 15 HA PHE 15 -4.554 1.930 -11.160 106 1HB PHE 15 2HB PHE 15 -6.405 0.375 -9.336 107 2HB PHE 15 1HB PHE 15 -6.812 1.069 -10.900 108 HD1 PHE 15 1HD PHE 15 -5.538 0.170 -12.948 109 HD2 PHE 15 2HD PHE 15 -5.649 -1.805 -9.182 110 HE1 PHE 15 1HE PHE 15 -4.885 -1.939 -14.032 111 HE2 PHE 15 2HE PHE 15 -4.994 -3.909 -10.256 112 HZ PHE 15 HZ PHE 15 -4.614 -3.983 -12.682 113 H THR 16 H THR 16 -5.970 1.636 -7.897 114 HA THR 16 HA THR 16 -5.771 4.507 -7.555 115 HB THR 16 HB THR 16 -8.168 4.463 -6.663 116 HG1 THR 16 1HG THR 16 -8.714 2.386 -8.436 117 1HG2 THR 16 1HG2 THR 16 -9.180 4.824 -8.890 118 2HG2 THR 16 2HG2 THR 16 -7.760 4.090 -9.638 119 3HG2 THR 16 3HG2 THR 16 -7.604 5.605 -8.755 120 H THR 17 H THR 17 -6.473 5.060 -5.255 121 HA THR 17 HA THR 17 -5.068 3.479 -3.453 122 HB THR 17 HB THR 17 -6.993 5.762 -3.124 123 HG1 THR 17 1HG THR 17 -5.191 6.928 -2.999 124 1HG2 THR 17 1HG2 THR 17 -6.251 5.960 -0.766 125 2HG2 THR 17 2HG2 THR 17 -5.384 4.428 -0.916 126 3HG2 THR 17 3HG2 THR 17 -7.136 4.463 -1.044 127 H GLY 18 H GLY 18 -8.453 3.459 -4.352 128 1HA GLY 18 2HA GLY 18 -9.442 1.895 -2.258 129 2HA GLY 18 1HA GLY 18 -10.122 1.957 -3.874 130 H SER 19 H SER 19 -7.693 0.903 -5.211 131 HA SER 19 HA SER 19 -8.248 -1.868 -4.656 132 1HB SER 19 2HB SER 19 -6.835 -2.287 -6.687 133 2HB SER 19 1HB SER 19 -8.186 -1.200 -6.994 134 HG SER 19 HG SER 19 -5.476 -0.756 -7.049 135 H CYS 20 H CYS 20 -5.674 0.417 -4.253 136 HA CYS 20 HA CYS 20 -3.654 -1.431 -3.519 137 1HB CYS 20 2HB CYS 20 -3.119 0.919 -4.244 138 2HB CYS 20 1HB CYS 20 -3.963 1.501 -2.866 139 H ASP 21 H ASP 21 -5.929 0.575 -1.624 140 HA ASP 21 HA ASP 21 -5.053 -0.190 0.928 141 1HB ASP 21 2HB ASP 21 -6.493 1.779 0.385 142 2HB ASP 21 1HB ASP 21 -7.844 0.675 0.131 143 H ASP 22 H ASP 22 -7.515 -1.462 -1.208 144 HA ASP 22 HA ASP 22 -8.694 -3.478 0.282 145 1HB ASP 22 2HB ASP 22 -9.460 -3.022 -1.961 146 2HB ASP 22 1HB ASP 22 -7.889 -3.430 -2.630 147 H HIS 23 H HIS 23 -5.740 -3.560 -1.564 148 HA HIS 23 HA HIS 23 -5.100 -6.268 -1.028 149 1HB HIS 23 2HB HIS 23 -4.235 -5.194 -3.020 150 2HB HIS 23 1HB HIS 23 -3.430 -3.969 -2.056 151 HD1 HIS 23 1HD HIS 23 -3.095 -7.572 -3.118 152 HD2 HIS 23 2HD HIS 23 -0.989 -4.688 -1.005 153 HE1 HIS 23 1HE HIS 23 -0.841 -8.547 -2.705 154 HE2 HIS 23 2HE HIS 23 0.255 -6.885 -1.129 155 H CYS 24 H CYS 24 -3.895 -3.205 0.318 156 HA CYS 24 HA CYS 24 -2.020 -4.444 2.013 157 1HB CYS 24 2HB CYS 24 -3.246 -1.689 2.180 158 2HB CYS 24 1HB CYS 24 -1.852 -2.215 3.114 159 H LYS 25 H LYS 25 -5.472 -3.658 2.537 160 HA LYS 25 HA LYS 25 -5.288 -4.195 5.296 161 1HB LYS 25 2HB LYS 25 -7.370 -3.534 3.332 162 2HB LYS 25 1HB LYS 25 -7.855 -4.312 4.813 163 1HG LYS 25 2HG LYS 25 -6.745 -2.455 6.063 164 2HG LYS 25 1HG LYS 25 -6.401 -1.687 4.507 165 1HD LYS 25 2HD LYS 25 -8.747 -1.533 4.006 166 2HD LYS 25 1HD LYS 25 -9.157 -2.445 5.455 167 1HE LYS 25 2HE LYS 25 -9.552 -0.064 5.749 168 2HE LYS 25 1HE LYS 25 -8.293 -0.638 6.839 169 1HZ LYS 25 1HZ LYS 25 -6.640 0.382 5.539 170 2HZ LYS 25 2HZ LYS 25 -7.870 1.540 5.648 171 3HZ LYS 25 3HZ LYS 25 -7.686 0.638 4.240 172 H ASN 26 H ASN 26 -6.987 -5.897 2.567 173 HA ASN 26 HA ASN 26 -7.785 -7.976 4.256 174 1HB ASN 26 2HB ASN 26 -9.054 -7.313 2.341 175 2HB ASN 26 1HB ASN 26 -7.708 -7.662 1.270 176 1HD2 ASN 26 1HD2 ASN 26 -8.850 -9.041 0.084 177 2HD2 ASN 26 2HD2 ASN 26 -9.350 -10.597 0.616 178 H LYS 27 H LYS 27 -5.159 -7.676 1.895 179 HA LYS 27 HA LYS 27 -4.496 -10.465 2.316 180 1HB LYS 27 2HB LYS 27 -4.483 -9.210 0.038 181 2HB LYS 27 1HB LYS 27 -2.968 -8.528 0.578 182 1HG LYS 27 2HG LYS 27 -3.489 -11.491 0.238 183 2HG LYS 27 1HG LYS 27 -2.712 -10.463 -0.957 184 1HD LYS 27 2HD LYS 27 -0.875 -10.037 0.581 185 2HD LYS 27 1HD LYS 27 -1.687 -10.971 1.838 186 1HE LYS 27 2HE LYS 27 -1.555 -12.966 0.370 187 2HE LYS 27 1HE LYS 27 -0.664 -11.996 -0.802 188 1HZ LYS 27 1HZ LYS 27 1.070 -11.662 0.855 189 2HZ LYS 27 2HZ LYS 27 0.804 -13.317 0.603 190 3HZ LYS 27 3HZ LYS 27 0.201 -12.569 1.971 191 H GLU 28 H GLU 28 -3.022 -7.251 2.875 192 HA GLU 28 HA GLU 28 -0.805 -8.682 4.083 193 1HB GLU 28 2HB GLU 28 -0.885 -5.803 3.203 194 2HB GLU 28 1HB GLU 28 0.515 -6.609 3.911 195 1HG GLU 28 2HG GLU 28 0.197 -8.333 2.027 196 2HG GLU 28 1HG GLU 28 -0.805 -7.116 1.283 197 H HIS 29 H HIS 29 -3.522 -7.122 5.096 198 HA HIS 29 HA HIS 29 -4.348 -6.581 7.071 199 1HB HIS 29 2HB HIS 29 -2.123 -8.373 8.041 200 2HB HIS 29 1HB HIS 29 -3.371 -7.738 9.104 201 HD1 HIS 29 1HD HIS 29 -2.613 -10.503 6.881 202 HD2 HIS 29 2HD HIS 29 -6.050 -8.665 8.305 203 HE1 HIS 29 1HE HIS 29 -4.457 -12.144 6.505 204 HE2 HIS 29 2HE HIS 29 -6.425 -11.120 7.685 205 H LEU 30 H LEU 30 -2.650 -4.687 6.024 206 HA LEU 30 HA LEU 30 -1.254 -3.605 8.352 207 1HB LEU 30 2HB LEU 30 -1.031 -2.922 5.425 208 2HB LEU 30 1HB LEU 30 -0.180 -2.060 6.692 209 HG LEU 30 HG LEU 30 0.192 -4.981 6.004 210 1HD1 LEU 30 1HD1 LEU 30 1.983 -2.605 5.555 211 2HD1 LEU 30 2HD1 LEU 30 1.124 -3.517 4.312 212 3HD1 LEU 30 3HD1 LEU 30 2.405 -4.287 5.245 213 1HD2 LEU 30 1HD2 LEU 30 1.611 -3.234 8.016 214 2HD2 LEU 30 2HD2 LEU 30 2.074 -4.875 7.568 215 3HD2 LEU 30 3HD2 LEU 30 0.539 -4.591 8.378 216 H ARG 31 H ARG 31 -1.295 -0.895 7.554 217 HA ARG 31 HA ARG 31 -3.742 -0.146 8.795 218 1HB ARG 31 2HB ARG 31 -1.535 1.093 9.001 219 2HB ARG 31 1HB ARG 31 -1.712 1.551 7.373 220 1HG ARG 31 2HG ARG 31 -2.345 3.406 8.772 221 2HG ARG 31 1HG ARG 31 -3.729 2.837 7.843 222 1HD ARG 31 2HD ARG 31 -3.152 1.970 10.627 223 2HD ARG 31 1HD ARG 31 -4.121 3.409 10.294 224 HE ARG 31 HE ARG 31 -5.476 1.646 8.895 225 1HH1 ARG 31 1HH1 ARG 31 -4.103 1.170 12.137 226 2HH1 ARG 31 2HH1 ARG 31 -5.341 0.128 12.657 227 1HH2 ARG 31 1HH2 ARG 31 -7.150 0.210 9.603 228 2HH2 ARG 31 2HH2 ARG 31 -7.101 -0.461 11.173 229 H SER 32 H SER 32 -2.413 0.886 5.699 230 HA SER 32 HA SER 32 -5.010 0.801 4.434 231 1HB SER 32 2HB SER 32 -3.417 3.361 4.614 232 2HB SER 32 1HB SER 32 -5.004 3.126 3.917 233 HG SER 32 HG SER 32 -5.844 3.483 5.781 234 H GLY 33 H GLY 33 -4.539 1.841 2.214 235 1HA GLY 33 2HA GLY 33 -1.801 1.463 1.357 236 2HA GLY 33 1HA GLY 33 -3.025 0.477 0.565 237 H ARG 34 H ARG 34 -1.282 2.921 0.004 238 HA ARG 34 HA ARG 34 -3.417 4.376 -1.378 239 1HB ARG 34 2HB ARG 34 -1.139 5.577 0.144 240 2HB ARG 34 1HB ARG 34 -1.932 6.436 -1.169 241 1HG ARG 34 2HG ARG 34 -4.012 6.240 -0.082 242 2HG ARG 34 1HG ARG 34 -3.292 5.385 1.298 243 1HD ARG 34 2HD ARG 34 -2.644 8.198 0.387 244 2HD ARG 34 1HD ARG 34 -3.604 7.783 1.806 245 HE ARG 34 HE ARG 34 -1.143 6.518 2.096 246 1HH1 ARG 34 1HH1 ARG 34 -2.202 9.886 1.769 247 2HH1 ARG 34 2HH1 ARG 34 -1.020 10.503 2.811 248 1HH2 ARG 34 1HH2 ARG 34 0.476 7.322 3.399 249 2HH2 ARG 34 2HH2 ARG 34 0.595 8.984 3.817 250 H CYS 35 H CYS 35 -3.173 5.239 -3.117 251 HA CYS 35 HA CYS 35 -1.170 3.871 -4.727 252 1HB CYS 35 2HB CYS 35 -3.685 3.778 -5.123 253 2HB CYS 35 1HB CYS 35 -3.519 5.423 -5.716 254 H ARG 36 H ARG 36 0.537 5.025 -5.018 255 HA ARG 36 HA ARG 36 0.338 7.922 -4.906 256 1HB ARG 36 2HB ARG 36 2.777 6.136 -4.842 257 2HB ARG 36 1HB ARG 36 2.770 7.876 -4.572 258 1HG ARG 36 2HG ARG 36 1.257 7.494 -2.614 259 2HG ARG 36 1HG ARG 36 1.423 5.784 -2.899 260 1HD ARG 36 2HD ARG 36 2.880 6.491 -1.114 261 2HD ARG 36 1HD ARG 36 3.794 5.892 -2.483 262 HE ARG 36 HE ARG 36 3.909 8.463 -2.973 263 1HH1 ARG 36 1HH1 ARG 36 4.034 6.935 0.234 264 2HH1 ARG 36 2HH1 ARG 36 5.276 7.924 0.823 265 1HH2 ARG 36 1HH2 ARG 36 5.581 9.859 -2.166 266 2HH2 ARG 36 2HH2 ARG 36 6.146 9.692 -0.554 267 H ASP 37 H ASP 37 1.905 9.083 -6.449 268 HA ASP 37 HA ASP 37 1.165 8.308 -9.136 269 1HB ASP 37 2HB ASP 37 2.945 10.616 -8.289 270 2HB ASP 37 1HB ASP 37 2.187 10.409 -9.864 271 H ASP 38 H ASP 38 3.276 7.237 -7.245 272 HA ASP 38 HA ASP 38 5.623 6.740 -8.815 273 1HB ASP 38 2HB ASP 38 5.704 6.753 -6.383 274 2HB ASP 38 1HB ASP 38 4.418 5.566 -6.298 275 H PHE 39 H PHE 39 2.426 5.592 -8.562 276 HA PHE 39 HA PHE 39 1.158 4.105 -9.537 277 1HB PHE 39 2HB PHE 39 3.460 3.696 -11.461 278 2HB PHE 39 1HB PHE 39 1.930 2.869 -11.587 279 HD1 PHE 39 1HD PHE 39 -0.140 4.050 -12.048 280 HD2 PHE 39 2HD PHE 39 3.609 6.060 -12.047 281 HE1 PHE 39 1HE PHE 39 -1.158 5.932 -13.254 282 HE2 PHE 39 2HE PHE 39 2.591 7.946 -13.262 283 HZ PHE 39 HZ PHE 39 0.212 7.884 -13.862 284 H ARG 40 H ARG 40 3.122 3.322 -7.429 285 HA ARG 40 HA ARG 40 2.440 0.503 -7.674 286 1HB ARG 40 2HB ARG 40 4.828 1.698 -6.232 287 2HB ARG 40 1HB ARG 40 4.365 0.004 -6.176 288 1HG ARG 40 2HG ARG 40 4.717 -0.167 -8.600 289 2HG ARG 40 1HG ARG 40 5.217 1.523 -8.632 290 1HD ARG 40 2HD ARG 40 7.180 0.139 -8.611 291 2HD ARG 40 1HD ARG 40 7.036 0.959 -7.058 292 HE ARG 40 HE ARG 40 5.800 -1.540 -6.882 293 1HH1 ARG 40 1HH1 ARG 40 9.054 -0.190 -7.226 294 2HH1 ARG 40 2HH1 ARG 40 9.861 -1.460 -6.455 295 1HH2 ARG 40 1HH2 ARG 40 6.894 -3.301 -5.734 296 2HH2 ARG 40 2HH2 ARG 40 8.593 -3.285 -5.565 297 H CYS 41 H CYS 41 1.922 -0.505 -5.600 298 HA CYS 41 HA CYS 41 0.187 1.233 -4.121 299 1HB CYS 41 2HB CYS 41 -0.640 -0.824 -4.868 300 2HB CYS 41 1HB CYS 41 0.678 -1.752 -4.148 301 H TRP 42 H TRP 42 0.608 2.027 -2.207 302 HA TRP 42 HA TRP 42 2.965 1.100 -0.744 303 1HB TRP 42 2HB TRP 42 1.785 3.841 -1.131 304 2HB TRP 42 1HB TRP 42 2.869 3.481 0.199 305 HD1 TRP 42 HD TRP 42 2.893 3.431 -3.681 306 HE1 TRP 42 1HE TRP 42 5.336 3.913 -4.454 307 HE3 TRP 42 3HE TRP 42 5.130 3.688 0.894 308 HZ2 TRP 42 2HZ TRP 42 7.827 4.391 -3.235 309 HZ3 TRP 42 3HZ TRP 42 7.484 4.184 1.041 310 HH2 TRP 42 HH TRP 42 8.849 4.533 -0.989 311 H CYS 43 H CYS 43 2.391 0.104 1.062 312 HA CYS 43 HA CYS 43 -0.262 0.435 2.179 313 1HB CYS 43 2HB CYS 43 2.026 -1.350 3.006 314 2HB CYS 43 1HB CYS 43 0.387 -1.409 3.632 315 H THR 44 H THR 44 -0.640 1.598 3.981 316 HA THR 44 HA THR 44 1.520 3.106 5.130 317 HB THR 44 HB THR 44 -1.446 3.050 5.790 318 HG1 THR 44 1HG THR 44 -0.053 4.602 3.804 319 1HG2 THR 44 1HG2 THR 44 -1.045 5.347 6.630 320 2HG2 THR 44 2HG2 THR 44 0.675 5.167 6.275 321 3HG2 THR 44 3HG2 THR 44 -0.091 4.148 7.496 322 H ARG 45 H ARG 45 2.132 2.759 7.307 323 HA ARG 45 HA ARG 45 0.728 0.756 8.804 324 1HB ARG 45 2HB ARG 45 2.895 -0.422 9.398 325 2HB ARG 45 1HB ARG 45 2.317 -0.688 7.767 326 1HG ARG 45 2HG ARG 45 3.987 0.990 6.967 327 2HG ARG 45 1HG ARG 45 4.588 1.099 8.627 328 1HD ARG 45 2HD ARG 45 5.132 -1.274 8.616 329 2HD ARG 45 1HD ARG 45 4.460 -1.437 7.000 330 HE ARG 45 HE ARG 45 6.412 0.415 6.672 331 1HH1 ARG 45 1HH1 ARG 45 6.429 -2.836 8.097 332 2HH1 ARG 45 2HH1 ARG 45 8.038 -3.168 7.668 333 1HH2 ARG 45 1HH2 ARG 45 8.624 -0.086 6.052 334 2HH2 ARG 45 2HH2 ARG 45 9.303 -1.591 6.478 335 H ASN 46 H ASN 46 0.844 0.956 10.951 336 HA ASN 46 HA ASN 46 1.313 3.557 11.910 337 1HB ASN 46 2HB ASN 46 0.217 1.000 12.883 338 2HB ASN 46 1HB ASN 46 0.864 2.090 14.086 339 1HD2 ASN 46 1HD2 ASN 46 -0.624 3.379 11.174 340 2HD2 ASN 46 2HD2 ASN 46 -2.069 3.922 11.968 341 H CYS 47 H CYS 47 2.952 4.333 13.066 342 HA CYS 47 HA CYS 47 4.781 2.755 14.476 343 1HB CYS 47 2HB CYS 47 6.824 3.446 13.262 344 2HB CYS 47 1HB CYS 47 5.773 2.554 12.176 Start of MODEL 5 1 1H LYS 1 1HT LYS 1 2.143 8.108 15.632 2 2H LYS 1 2HT LYS 1 2.689 6.923 14.539 3 3H LYS 1 3HT LYS 1 1.064 7.065 14.866 4 HA LYS 1 HA LYS 1 0.986 9.233 13.790 5 1HB LYS 1 2HB LYS 1 3.837 8.549 13.031 6 2HB LYS 1 1HB LYS 1 2.927 9.930 12.473 7 1HG LYS 1 2HG LYS 1 2.886 10.766 14.820 8 2HG LYS 1 1HG LYS 1 3.965 9.431 15.248 9 1HD LYS 1 2HD LYS 1 5.547 10.251 13.494 10 2HD LYS 1 1HD LYS 1 4.500 11.640 13.268 11 1HE LYS 1 2HE LYS 1 6.325 12.254 14.722 12 2HE LYS 1 1HE LYS 1 4.816 12.246 15.633 13 1HZ LYS 1 1HZ LYS 1 6.820 10.049 15.651 14 2HZ LYS 1 2HZ LYS 1 5.426 10.109 16.587 15 3HZ LYS 1 3HZ LYS 1 6.656 11.219 16.835 16 H THR 2 H THR 2 1.563 9.285 11.208 17 HA THR 2 HA THR 2 0.986 6.580 10.302 18 HB THR 2 HB THR 2 0.122 7.874 8.251 19 HG1 THR 2 1HG THR 2 0.257 9.952 8.515 20 1HG2 THR 2 1HG2 THR 2 -1.377 7.831 10.866 21 2HG2 THR 2 2HG2 THR 2 -1.294 6.520 9.687 22 3HG2 THR 2 3HG2 THR 2 -2.129 8.019 9.284 23 H CYS 3 H CYS 3 2.166 5.708 8.798 24 HA CYS 3 HA CYS 3 4.124 7.316 7.354 25 1HB CYS 3 2HB CYS 3 4.618 4.688 8.783 26 2HB CYS 3 1HB CYS 3 5.702 5.281 7.530 27 H GLU 4 H GLU 4 4.486 6.468 5.231 28 HA GLU 4 HA GLU 4 2.574 4.392 4.478 29 1HB GLU 4 2HB GLU 4 1.868 6.758 3.897 30 2HB GLU 4 1HB GLU 4 3.288 6.850 2.893 31 1HG GLU 4 2HG GLU 4 2.494 5.263 1.404 32 2HG GLU 4 1HG GLU 4 1.190 4.756 2.491 33 H ASN 5 H ASN 5 3.486 2.800 3.367 34 HA ASN 5 HA ASN 5 6.035 3.193 1.997 35 1HB ASN 5 2HB ASN 5 5.656 1.209 4.259 36 2HB ASN 5 1HB ASN 5 6.961 1.124 3.086 37 1HD2 ASN 5 1HD2 ASN 5 8.539 2.716 3.122 38 2HD2 ASN 5 2HD2 ASN 5 8.849 3.687 4.512 39 H LEU 6 H LEU 6 6.596 1.444 0.646 40 HA LEU 6 HA LEU 6 4.575 0.676 -1.007 41 1HB LEU 6 2HB LEU 6 7.320 -0.268 -0.468 42 2HB LEU 6 1HB LEU 6 6.357 -0.838 -1.807 43 HG LEU 6 HG LEU 6 7.175 2.047 -1.401 44 1HD1 LEU 6 1HD1 LEU 6 8.333 -0.056 -3.236 45 2HD1 LEU 6 2HD1 LEU 6 9.125 0.612 -1.810 46 3HD1 LEU 6 3HD1 LEU 6 8.788 1.647 -3.196 47 1HD2 LEU 6 1HD2 LEU 6 6.483 2.283 -3.729 48 2HD2 LEU 6 2HD2 LEU 6 5.143 1.764 -2.712 49 3HD2 LEU 6 3HD2 LEU 6 5.967 0.599 -3.752 50 H ALA 7 H ALA 7 3.417 -1.168 -1.238 51 HA ALA 7 HA ALA 7 3.154 -3.049 0.864 52 1HB ALA 7 1HB ALA 7 1.325 -2.564 -0.679 53 2HB ALA 7 2HB ALA 7 1.751 -4.277 -0.742 54 3HB ALA 7 3HB ALA 7 2.283 -3.186 -2.021 55 H ASN 8 H ASN 8 4.090 -5.009 1.084 56 HA ASN 8 HA ASN 8 6.597 -5.281 -0.342 57 1HB ASN 8 2HB ASN 8 5.518 -6.768 2.042 58 2HB ASN 8 1HB ASN 8 7.112 -7.044 1.347 59 1HD2 ASN 8 1HD2 ASN 8 5.161 -5.006 3.320 60 2HD2 ASN 8 2HD2 ASN 8 6.415 -3.929 3.809 61 H THR 9 H THR 9 3.584 -7.072 -0.000 62 HA THR 9 HA THR 9 4.740 -9.187 -1.655 63 HB THR 9 HB THR 9 1.986 -9.373 -0.473 64 HG1 THR 9 1HG THR 9 2.993 -8.784 1.360 65 1HG2 THR 9 1HG2 THR 9 2.860 -11.186 -1.863 66 2HG2 THR 9 2HG2 THR 9 2.708 -11.737 -0.192 67 3HG2 THR 9 3HG2 THR 9 4.284 -11.296 -0.838 68 H TYR 10 H TYR 10 3.633 -6.447 -2.427 69 HA TYR 10 HA TYR 10 1.503 -7.295 -4.264 70 1HB TYR 10 2HB TYR 10 1.237 -5.150 -2.955 71 2HB TYR 10 1HB TYR 10 2.573 -4.474 -3.864 72 HD1 TYR 10 1HD TYR 10 -0.938 -5.024 -3.732 73 HD2 TYR 10 2HD TYR 10 2.252 -4.315 -6.443 74 HE1 TYR 10 1HE TYR 10 -2.548 -4.273 -5.416 75 HE2 TYR 10 2HE TYR 10 0.648 -3.560 -8.143 76 HH TYR 10 HH TYR 10 -1.672 -3.845 -8.678 77 H ARG 11 H ARG 11 2.240 -8.162 -6.034 78 HA ARG 11 HA ARG 11 4.826 -7.305 -7.055 79 1HB ARG 11 2HB ARG 11 4.595 -9.693 -6.665 80 2HB ARG 11 1HB ARG 11 3.145 -9.744 -7.654 81 1HG ARG 11 2HG ARG 11 5.017 -10.648 -8.882 82 2HG ARG 11 1HG ARG 11 4.484 -9.141 -9.622 83 1HD ARG 11 2HD ARG 11 6.309 -7.962 -8.438 84 2HD ARG 11 1HD ARG 11 6.874 -9.512 -7.815 85 HE ARG 11 HE ARG 11 6.574 -9.406 -10.660 86 1HH1 ARG 11 1HH1 ARG 11 8.833 -8.854 -7.978 87 2HH1 ARG 11 2HH1 ARG 11 10.219 -8.898 -8.963 88 1HH2 ARG 11 1HH2 ARG 11 8.509 -9.487 -11.992 89 2HH2 ARG 11 2HH2 ARG 11 10.039 -9.265 -11.278 90 H GLY 12 H GLY 12 4.868 -5.946 -8.697 91 1HA GLY 12 2HA GLY 12 4.409 -5.586 -11.003 92 2HA GLY 12 1HA GLY 12 2.754 -6.127 -10.722 93 HA PRO 13 HA PRO 13 2.868 -1.494 -10.384 94 1HB PRO 13 2HB PRO 13 1.055 -1.426 -12.647 95 2HB PRO 13 1HB PRO 13 2.640 -0.664 -12.483 96 1HG PRO 13 2HG PRO 13 2.159 -2.725 -14.176 97 2HG PRO 13 1HG PRO 13 3.736 -2.439 -13.414 98 1HD PRO 13 2HD PRO 13 1.584 -4.380 -12.646 99 2HD PRO 13 1HD PRO 13 3.345 -4.618 -12.709 100 H CYS 14 H CYS 14 1.149 -0.246 -9.688 101 HA CYS 14 HA CYS 14 -1.087 -1.740 -8.689 102 1HB CYS 14 2HB CYS 14 0.107 -0.296 -7.162 103 2HB CYS 14 1HB CYS 14 -0.085 1.069 -8.251 104 H PHE 15 H PHE 15 -3.178 -1.031 -9.050 105 HA PHE 15 HA PHE 15 -3.515 0.434 -11.571 106 1HB PHE 15 2HB PHE 15 -5.349 -1.690 -10.436 107 2HB PHE 15 1HB PHE 15 -5.533 -0.872 -11.982 108 HD1 PHE 15 1HD PHE 15 -4.146 -3.685 -10.307 109 HD2 PHE 15 2HD PHE 15 -3.616 -1.146 -13.682 110 HE1 PHE 15 1HE PHE 15 -2.756 -5.403 -11.377 111 HE2 PHE 15 2HE PHE 15 -2.227 -2.865 -14.760 112 HZ PHE 15 HZ PHE 15 -1.791 -4.998 -13.605 113 H THR 16 H THR 16 -5.249 -0.273 -8.495 114 HA THR 16 HA THR 16 -6.247 2.468 -8.586 115 HB THR 16 HB THR 16 -8.023 0.077 -8.043 116 HG1 THR 16 1HG THR 16 -7.366 1.472 -10.401 117 1HG2 THR 16 1HG2 THR 16 -9.811 1.737 -8.404 118 2HG2 THR 16 2HG2 THR 16 -8.582 2.994 -8.571 119 3HG2 THR 16 3HG2 THR 16 -8.780 2.147 -7.035 120 H THR 17 H THR 17 -6.814 3.333 -6.511 121 HA THR 17 HA THR 17 -5.266 2.611 -4.349 122 HB THR 17 HB THR 17 -7.725 4.319 -4.571 123 HG1 THR 17 1HG THR 17 -6.254 5.515 -5.444 124 1HG2 THR 17 1HG2 THR 17 -5.893 4.059 -2.157 125 2HG2 THR 17 2HG2 THR 17 -7.590 3.615 -2.234 126 3HG2 THR 17 3HG2 THR 17 -7.122 5.306 -2.373 127 H GLY 18 H GLY 18 -8.748 1.892 -4.863 128 1HA GLY 18 2HA GLY 18 -9.202 0.704 -2.390 129 2HA GLY 18 1HA GLY 18 -10.113 0.390 -3.854 130 H SER 19 H SER 19 -7.702 -0.625 -5.227 131 HA SER 19 HA SER 19 -7.951 -3.358 -4.378 132 1HB SER 19 2HB SER 19 -7.839 -2.690 -6.796 133 2HB SER 19 1HB SER 19 -6.186 -2.150 -6.538 134 HG SER 19 HG SER 19 -7.210 -4.778 -6.304 135 H CYS 20 H CYS 20 -5.508 -0.827 -4.378 136 HA CYS 20 HA CYS 20 -3.418 -2.343 -3.222 137 1HB CYS 20 2HB CYS 20 -2.992 -0.126 -4.328 138 2HB CYS 20 1HB CYS 20 -3.977 0.628 -3.137 139 H ASP 21 H ASP 21 -5.960 -0.281 -1.904 140 HA ASP 21 HA ASP 21 -5.322 -0.392 0.810 141 1HB ASP 21 2HB ASP 21 -6.901 1.169 -0.202 142 2HB ASP 21 1HB ASP 21 -8.061 -0.141 -0.483 143 H ASP 22 H ASP 22 -7.478 -2.422 -1.114 144 HA ASP 22 HA ASP 22 -8.264 -4.274 0.817 145 1HB ASP 22 2HB ASP 22 -9.309 -4.349 -1.336 146 2HB ASP 22 1HB ASP 22 -7.768 -4.570 -2.149 147 H HIS 23 H HIS 23 -5.526 -4.416 -1.402 148 HA HIS 23 HA HIS 23 -4.382 -6.794 -0.521 149 1HB HIS 23 2HB HIS 23 -3.653 -5.790 -2.606 150 2HB HIS 23 1HB HIS 23 -3.076 -4.361 -1.760 151 HD1 HIS 23 1HD HIS 23 -2.199 -7.977 -2.358 152 HD2 HIS 23 2HD HIS 23 -0.530 -4.554 -0.709 153 HE1 HIS 23 1HE HIS 23 0.179 -8.567 -1.843 154 HE2 HIS 23 2HE HIS 23 1.013 -6.584 -0.529 155 H CYS 24 H CYS 24 -3.687 -3.498 0.530 156 HA CYS 24 HA CYS 24 -1.680 -4.245 2.293 157 1HB CYS 24 2HB CYS 24 -3.329 -1.736 2.144 158 2HB CYS 24 1HB CYS 24 -1.960 -1.903 3.229 159 H LYS 25 H LYS 25 -5.210 -3.747 2.882 160 HA LYS 25 HA LYS 25 -4.962 -4.037 5.650 161 1HB LYS 25 2HB LYS 25 -7.221 -4.126 3.700 162 2HB LYS 25 1HB LYS 25 -7.397 -4.212 5.439 163 1HG LYS 25 2HG LYS 25 -6.412 -2.024 5.692 164 2HG LYS 25 1HG LYS 25 -6.079 -1.960 3.965 165 1HD LYS 25 2HD LYS 25 -8.014 -0.633 4.499 166 2HD LYS 25 1HD LYS 25 -8.472 -2.013 3.506 167 1HE LYS 25 2HE LYS 25 -9.307 -3.173 5.483 168 2HE LYS 25 1HE LYS 25 -8.774 -1.843 6.506 169 1HZ LYS 25 1HZ LYS 25 -10.838 -1.653 4.391 170 2HZ LYS 25 2HZ LYS 25 -10.343 -0.391 5.377 171 3HZ LYS 25 3HZ LYS 25 -11.124 -1.730 6.041 172 H ASN 26 H ASN 26 -6.056 -6.199 3.005 173 HA ASN 26 HA ASN 26 -6.775 -8.267 4.803 174 1HB ASN 26 2HB ASN 26 -7.976 -7.997 2.732 175 2HB ASN 26 1HB ASN 26 -6.487 -8.153 1.812 176 1HD2 ASN 26 1HD2 ASN 26 -5.663 -10.192 1.408 177 2HD2 ASN 26 2HD2 ASN 26 -6.515 -11.623 1.809 178 H LYS 27 H LYS 27 -4.174 -7.901 2.422 179 HA LYS 27 HA LYS 27 -3.077 -10.417 3.300 180 1HB LYS 27 2HB LYS 27 -3.082 -10.227 0.956 181 2HB LYS 27 1HB LYS 27 -2.449 -8.592 1.000 182 1HG LYS 27 2HG LYS 27 -0.804 -10.203 0.183 183 2HG LYS 27 1HG LYS 27 -0.276 -9.410 1.663 184 1HD LYS 27 2HD LYS 27 -1.100 -11.440 2.912 185 2HD LYS 27 1HD LYS 27 -1.322 -12.218 1.338 186 1HE LYS 27 2HE LYS 27 0.832 -12.825 2.284 187 2HE LYS 27 1HE LYS 27 1.032 -11.843 0.833 188 1HZ LYS 27 1HZ LYS 27 1.347 -10.913 3.656 189 2HZ LYS 27 2HZ LYS 27 1.420 -9.873 2.340 190 3HZ LYS 27 3HZ LYS 27 2.558 -11.079 2.517 191 H GLU 28 H GLU 28 -1.901 -7.030 3.137 192 HA GLU 28 HA GLU 28 0.590 -7.796 4.141 193 1HB GLU 28 2HB GLU 28 -0.593 -5.112 3.846 194 2HB GLU 28 1HB GLU 28 1.119 -5.514 4.025 195 1HG GLU 28 2HG GLU 28 -0.651 -6.485 1.803 196 2HG GLU 28 1HG GLU 28 0.457 -5.133 1.811 197 H HIS 29 H HIS 29 -2.397 -6.869 5.405 198 HA HIS 29 HA HIS 29 -3.326 -6.665 7.361 199 1HB HIS 29 2HB HIS 29 -0.717 -7.783 8.397 200 2HB HIS 29 1HB HIS 29 -2.072 -7.418 9.460 201 HD1 HIS 29 1HD HIS 29 -0.651 -10.185 7.798 202 HD2 HIS 29 2HD HIS 29 -4.535 -8.827 8.328 203 HE1 HIS 29 1HE HIS 29 -2.125 -12.176 7.367 204 HE2 HIS 29 2HE HIS 29 -4.478 -11.324 7.683 205 H LEU 30 H LEU 30 -2.063 -4.519 6.162 206 HA LEU 30 HA LEU 30 -1.150 -2.896 8.388 207 1HB LEU 30 2HB LEU 30 -1.004 -2.411 5.413 208 2HB LEU 30 1HB LEU 30 -0.394 -1.306 6.634 209 HG LEU 30 HG LEU 30 0.633 -4.103 6.116 210 1HD1 LEU 30 1HD1 LEU 30 1.906 -1.432 5.622 211 2HD1 LEU 30 2HD1 LEU 30 1.327 -2.563 4.398 212 3HD1 LEU 30 3HD1 LEU 30 2.689 -2.997 5.430 213 1HD2 LEU 30 1HD2 LEU 30 1.537 -2.039 8.117 214 2HD2 LEU 30 2HD2 LEU 30 2.399 -3.524 7.722 215 3HD2 LEU 30 3HD2 LEU 30 0.809 -3.610 8.470 216 H ARG 31 H ARG 31 -1.936 -0.359 7.268 217 HA ARG 31 HA ARG 31 -4.520 -0.362 8.576 218 1HB ARG 31 2HB ARG 31 -2.465 1.304 8.574 219 2HB ARG 31 1HB ARG 31 -3.375 1.998 7.282 220 1HG ARG 31 2HG ARG 31 -5.369 1.968 8.877 221 2HG ARG 31 1HG ARG 31 -4.140 1.822 10.145 222 1HD ARG 31 2HD ARG 31 -4.403 4.136 9.925 223 2HD ARG 31 1HD ARG 31 -2.991 3.759 8.976 224 HE ARG 31 HE ARG 31 -5.047 3.521 7.186 225 1HH1 ARG 31 1HH1 ARG 31 -3.895 6.222 9.185 226 2HH1 ARG 31 2HH1 ARG 31 -4.350 7.387 8.032 227 1HH2 ARG 31 1HH2 ARG 31 -5.676 5.075 5.713 228 2HH2 ARG 31 2HH2 ARG 31 -5.374 6.734 5.970 229 H SER 32 H SER 32 -3.222 0.955 5.530 230 HA SER 32 HA SER 32 -5.709 0.533 4.055 231 1HB SER 32 2HB SER 32 -4.482 3.291 4.237 232 2HB SER 32 1HB SER 32 -6.059 2.819 3.625 233 HG SER 32 HG SER 32 -6.535 2.171 5.856 234 H GLY 33 H GLY 33 -5.166 1.617 1.806 235 1HA GLY 33 2HA GLY 33 -2.339 1.596 1.221 236 2HA GLY 33 1HA GLY 33 -3.312 0.338 0.449 237 H ARG 34 H ARG 34 -1.839 2.697 -0.589 238 HA ARG 34 HA ARG 34 -4.031 3.715 -2.220 239 1HB ARG 34 2HB ARG 34 -1.917 5.418 -0.941 240 2HB ARG 34 1HB ARG 34 -2.907 5.937 -2.296 241 1HG ARG 34 2HG ARG 34 -4.824 5.549 -1.062 242 2HG ARG 34 1HG ARG 34 -3.918 5.145 0.423 243 1HD ARG 34 2HD ARG 34 -4.126 7.781 -1.059 244 2HD ARG 34 1HD ARG 34 -4.526 7.459 0.624 245 HE ARG 34 HE ARG 34 -1.901 6.969 0.630 246 1HH1 ARG 34 1HH1 ARG 34 -3.778 9.657 -0.642 247 2HH1 ARG 34 2HH1 ARG 34 -2.514 10.783 -0.625 248 1HH2 ARG 34 1HH2 ARG 34 -0.126 8.435 0.621 249 2HH2 ARG 34 2HH2 ARG 34 -0.344 10.065 0.138 250 H CYS 35 H CYS 35 -3.575 4.571 -4.024 251 HA CYS 35 HA CYS 35 -1.288 3.207 -5.289 252 1HB CYS 35 2HB CYS 35 -3.679 2.545 -5.759 253 2HB CYS 35 1HB CYS 35 -3.826 4.060 -6.641 254 H ARG 36 H ARG 36 0.171 4.755 -5.386 255 HA ARG 36 HA ARG 36 -0.727 7.464 -5.720 256 1HB ARG 36 2HB ARG 36 2.065 6.546 -5.137 257 2HB ARG 36 1HB ARG 36 1.452 8.191 -5.003 258 1HG ARG 36 2HG ARG 36 -0.287 7.173 -3.413 259 2HG ARG 36 1HG ARG 36 0.816 5.811 -3.336 260 1HD ARG 36 2HD ARG 36 1.206 8.647 -2.427 261 2HD ARG 36 1HD ARG 36 1.407 7.159 -1.509 262 HE ARG 36 HE ARG 36 3.227 7.350 -3.657 263 1HH1 ARG 36 1HH1 ARG 36 2.652 8.081 -0.245 264 2HH1 ARG 36 2HH1 ARG 36 4.209 8.704 0.057 265 1HH2 ARG 36 1HH2 ARG 36 5.447 8.168 -3.231 266 2HH2 ARG 36 2HH2 ARG 36 5.833 8.734 -1.680 267 H ASP 37 H ASP 37 1.154 8.861 -6.949 268 HA ASP 37 HA ASP 37 0.636 8.441 -9.680 269 1HB ASP 37 2HB ASP 37 2.603 10.262 -8.316 270 2HB ASP 37 1HB ASP 37 2.472 10.179 -10.064 271 H ASP 38 H ASP 38 3.172 7.255 -7.740 272 HA ASP 38 HA ASP 38 4.907 6.632 -9.945 273 1HB ASP 38 2HB ASP 38 6.212 5.352 -8.213 274 2HB ASP 38 1HB ASP 38 6.008 7.068 -7.891 275 H PHE 39 H PHE 39 2.083 5.366 -9.040 276 HA PHE 39 HA PHE 39 0.908 3.566 -9.625 277 1HB PHE 39 2HB PHE 39 3.211 3.038 -11.513 278 2HB PHE 39 1HB PHE 39 1.694 2.151 -11.522 279 HD1 PHE 39 1HD PHE 39 -0.462 3.578 -11.758 280 HD2 PHE 39 2HD PHE 39 3.427 4.923 -12.840 281 HE1 PHE 39 1HE PHE 39 -1.464 5.251 -13.252 282 HE2 PHE 39 2HE PHE 39 2.434 6.602 -14.335 283 HZ PHE 39 HZ PHE 39 -0.018 6.771 -14.542 284 H ARG 40 H ARG 40 2.885 3.331 -7.406 285 HA ARG 40 HA ARG 40 2.750 0.435 -7.400 286 1HB ARG 40 2HB ARG 40 4.703 2.163 -5.854 287 2HB ARG 40 1HB ARG 40 4.527 0.428 -5.639 288 1HG ARG 40 2HG ARG 40 5.107 0.183 -8.070 289 2HG ARG 40 1HG ARG 40 5.531 1.893 -8.059 290 1HD ARG 40 2HD ARG 40 7.549 0.620 -7.737 291 2HD ARG 40 1HD ARG 40 7.147 1.406 -6.213 292 HE ARG 40 HE ARG 40 6.007 -1.086 -6.062 293 1HH1 ARG 40 1HH1 ARG 40 9.309 0.067 -6.606 294 2HH1 ARG 40 2HH1 ARG 40 10.052 -1.260 -5.856 295 1HH2 ARG 40 1HH2 ARG 40 7.062 -2.944 -5.037 296 2HH2 ARG 40 2HH2 ARG 40 8.744 -3.010 -4.937 297 H CYS 41 H CYS 41 2.169 -0.542 -5.423 298 HA CYS 41 HA CYS 41 0.056 0.866 -4.116 299 1HB CYS 41 2HB CYS 41 -0.256 -1.385 -4.725 300 2HB CYS 41 1HB CYS 41 1.173 -1.933 -3.839 301 H TRP 42 H TRP 42 0.376 2.107 -2.480 302 HA TRP 42 HA TRP 42 2.653 1.690 -0.686 303 1HB TRP 42 2HB TRP 42 1.058 4.130 -1.454 304 2HB TRP 42 1HB TRP 42 2.074 4.080 -0.025 305 HD1 TRP 42 HD TRP 42 2.412 3.720 -3.856 306 HE1 TRP 42 1HE TRP 42 4.726 4.540 -4.531 307 HE3 TRP 42 3HE TRP 42 4.235 4.656 0.795 308 HZ2 TRP 42 2HZ TRP 42 7.092 5.487 -3.200 309 HZ3 TRP 42 3HZ TRP 42 6.479 5.516 1.046 310 HH2 TRP 42 HH TRP 42 7.917 5.930 -0.915 311 H CYS 43 H CYS 43 2.031 0.802 1.154 312 HA CYS 43 HA CYS 43 -0.733 0.830 1.997 313 1HB CYS 43 2HB CYS 43 1.721 -0.385 3.248 314 2HB CYS 43 1HB CYS 43 0.062 -0.640 3.762 315 H THR 44 H THR 44 -1.475 2.129 3.612 316 HA THR 44 HA THR 44 0.383 4.075 4.699 317 HB THR 44 HB THR 44 -2.631 3.964 5.020 318 HG1 THR 44 1HG THR 44 -1.256 5.302 2.849 319 1HG2 THR 44 1HG2 THR 44 -2.396 6.404 5.271 320 2HG2 THR 44 2HG2 THR 44 -0.659 6.263 4.995 321 3HG2 THR 44 3HG2 THR 44 -1.382 5.545 6.432 322 H ARG 45 H ARG 45 0.752 3.917 6.948 323 HA ARG 45 HA ARG 45 -0.809 1.906 8.352 324 1HB ARG 45 2HB ARG 45 1.239 0.814 9.204 325 2HB ARG 45 1HB ARG 45 0.970 0.578 7.483 326 1HG ARG 45 2HG ARG 45 2.704 2.102 6.904 327 2HG ARG 45 1HG ARG 45 2.785 2.717 8.550 328 1HD ARG 45 2HD ARG 45 3.470 -0.107 7.772 329 2HD ARG 45 1HD ARG 45 4.652 1.194 7.938 330 HE ARG 45 HE ARG 45 2.929 0.734 10.223 331 1HH1 ARG 45 1HH1 ARG 45 6.091 0.012 8.761 332 2HH1 ARG 45 2HH1 ARG 45 6.811 -0.348 10.263 333 1HH2 ARG 45 1HH2 ARG 45 3.979 0.304 12.251 334 2HH2 ARG 45 2HH2 ARG 45 5.613 -0.188 12.231 335 H ASN 46 H ASN 46 -0.552 1.804 10.583 336 HA ASN 46 HA ASN 46 -0.123 4.255 11.819 337 1HB ASN 46 2HB ASN 46 -0.632 1.425 12.727 338 2HB ASN 46 1HB ASN 46 -0.447 2.803 13.805 339 1HD2 ASN 46 1HD2 ASN 46 -2.762 1.005 13.209 340 2HD2 ASN 46 2HD2 ASN 46 -4.047 2.081 12.779 341 H CYS 47 H CYS 47 1.681 4.892 12.567 342 HA CYS 47 HA CYS 47 4.003 3.133 12.379 343 1HB CYS 47 2HB CYS 47 3.689 4.681 10.513 344 2HB CYS 47 1HB CYS 47 3.664 6.038 11.592 Start of MODEL 6 1 1H LYS 1 1HT LYS 1 2.517 12.725 11.293 2 2H LYS 1 2HT LYS 1 4.073 12.096 11.164 3 3H LYS 1 3HT LYS 1 3.528 12.629 12.662 4 HA LYS 1 HA LYS 1 3.570 10.229 12.468 5 1HB LYS 1 2HB LYS 1 0.673 11.120 12.360 6 2HB LYS 1 1HB LYS 1 1.323 9.696 13.106 7 1HG LYS 1 2HG LYS 1 2.529 11.087 14.749 8 2HG LYS 1 1HG LYS 1 1.768 12.515 14.054 9 1HD LYS 1 2HD LYS 1 0.374 12.046 15.858 10 2HD LYS 1 1HD LYS 1 -0.456 11.259 14.527 11 1HE LYS 1 2HE LYS 1 1.362 9.877 16.514 12 2HE LYS 1 1HE LYS 1 -0.389 9.881 16.586 13 1HZ LYS 1 1HZ LYS 1 1.309 8.586 14.488 14 2HZ LYS 1 2HZ LYS 1 -0.369 8.692 14.429 15 3HZ LYS 1 3HZ LYS 1 0.374 7.852 15.673 16 H THR 2 H THR 2 2.044 8.503 11.608 17 HA THR 2 HA THR 2 1.659 7.094 9.981 18 HB THR 2 HB THR 2 0.552 7.763 7.879 19 HG1 THR 2 1HG THR 2 1.224 10.237 8.745 20 1HG2 THR 2 1HG2 THR 2 -0.740 7.028 9.775 21 2HG2 THR 2 2HG2 THR 2 -1.602 8.331 8.956 22 3HG2 THR 2 3HG2 THR 2 -0.722 8.659 10.448 23 H CYS 3 H CYS 3 2.820 5.967 8.943 24 HA CYS 3 HA CYS 3 5.016 7.111 7.399 25 1HB CYS 3 2HB CYS 3 4.831 4.588 9.089 26 2HB CYS 3 1HB CYS 3 6.200 4.964 8.035 27 H GLU 4 H GLU 4 5.523 5.827 5.403 28 HA GLU 4 HA GLU 4 3.396 4.004 4.655 29 1HB GLU 4 2HB GLU 4 2.763 6.377 4.047 30 2HB GLU 4 1HB GLU 4 4.142 6.383 2.971 31 1HG GLU 4 2HG GLU 4 3.209 4.824 1.564 32 2HG GLU 4 1HG GLU 4 2.013 4.318 2.764 33 H ASN 5 H ASN 5 4.074 2.426 3.307 34 HA ASN 5 HA ASN 5 6.699 2.609 2.017 35 1HB ASN 5 2HB ASN 5 5.936 0.417 3.967 36 2HB ASN 5 1HB ASN 5 7.315 0.365 2.879 37 1HD2 ASN 5 1HD2 ASN 5 9.068 1.683 3.298 38 2HD2 ASN 5 2HD2 ASN 5 9.326 2.428 4.830 39 H LEU 6 H LEU 6 7.072 0.632 0.708 40 HA LEU 6 HA LEU 6 4.984 0.446 -1.143 41 1HB LEU 6 2HB LEU 6 7.538 -0.902 -0.633 42 2HB LEU 6 1HB LEU 6 6.578 -1.199 -2.056 43 HG LEU 6 HG LEU 6 7.761 1.485 -1.317 44 1HD1 LEU 6 1HD1 LEU 6 8.726 -0.573 -3.305 45 2HD1 LEU 6 2HD1 LEU 6 9.511 -0.171 -1.776 46 3HD1 LEU 6 3HD1 LEU 6 9.417 1.030 -3.058 47 1HD2 LEU 6 1HD2 LEU 6 5.786 1.608 -2.750 48 2HD2 LEU 6 2HD2 LEU 6 6.521 0.460 -3.869 49 3HD2 LEU 6 3HD2 LEU 6 7.243 2.052 -3.633 50 H ALA 7 H ALA 7 3.653 -1.312 -1.582 51 HA ALA 7 HA ALA 7 3.193 -3.277 0.427 52 1HB ALA 7 1HB ALA 7 1.619 -4.216 -1.207 53 2HB ALA 7 2HB ALA 7 2.239 -3.098 -2.425 54 3HB ALA 7 3HB ALA 7 1.397 -2.478 -1.004 55 H ASN 8 H ASN 8 3.761 -5.405 0.408 56 HA ASN 8 HA ASN 8 6.170 -5.938 -1.145 57 1HB ASN 8 2HB ASN 8 4.996 -7.416 1.212 58 2HB ASN 8 1HB ASN 8 6.549 -7.760 0.457 59 1HD2 ASN 8 1HD2 ASN 8 4.753 -5.562 2.451 60 2HD2 ASN 8 2HD2 ASN 8 6.113 -4.661 3.032 61 H THR 9 H THR 9 2.927 -7.123 -0.735 62 HA THR 9 HA THR 9 3.614 -9.323 -2.529 63 HB THR 9 HB THR 9 1.365 -10.323 -1.827 64 HG1 THR 9 1HG THR 9 1.606 -8.189 0.048 65 1HG2 THR 9 1HG2 THR 9 2.249 -11.175 0.300 66 2HG2 THR 9 2HG2 THR 9 3.469 -9.899 0.301 67 3HG2 THR 9 3HG2 THR 9 3.499 -11.150 -0.944 68 H TYR 10 H TYR 10 2.648 -6.429 -2.882 69 HA TYR 10 HA TYR 10 0.630 -6.947 -4.983 70 1HB TYR 10 2HB TYR 10 0.397 -5.075 -3.209 71 2HB TYR 10 1HB TYR 10 1.661 -4.261 -4.094 72 HD1 TYR 10 1HD TYR 10 1.154 -3.576 -6.552 73 HD2 TYR 10 2HD TYR 10 -1.846 -4.855 -3.813 74 HE1 TYR 10 1HE TYR 10 -0.569 -2.399 -7.877 75 HE2 TYR 10 2HE TYR 10 -3.561 -3.698 -5.132 76 HH TYR 10 HH TYR 10 -3.716 -1.862 -6.643 77 H ARG 11 H ARG 11 2.075 -7.866 -6.291 78 HA ARG 11 HA ARG 11 4.450 -6.352 -7.076 79 1HB ARG 11 2HB ARG 11 4.659 -8.751 -6.374 80 2HB ARG 11 1HB ARG 11 3.701 -9.196 -7.776 81 1HG ARG 11 2HG ARG 11 5.413 -8.392 -9.258 82 2HG ARG 11 1HG ARG 11 6.351 -7.781 -7.893 83 1HD ARG 11 2HD ARG 11 5.649 -10.684 -8.351 84 2HD ARG 11 1HD ARG 11 7.200 -9.947 -8.740 85 HE ARG 11 HE ARG 11 6.858 -9.374 -6.104 86 1HH1 ARG 11 1HH1 ARG 11 6.850 -12.442 -7.911 87 2HH1 ARG 11 2HH1 ARG 11 7.445 -13.342 -6.591 88 1HH2 ARG 11 1HH2 ARG 11 7.677 -10.656 -4.356 89 2HH2 ARG 11 2HH2 ARG 11 7.913 -12.340 -4.562 90 H GLY 12 H GLY 12 4.441 -5.198 -8.842 91 1HA GLY 12 2HA GLY 12 3.930 -5.258 -11.281 92 2HA GLY 12 1HA GLY 12 2.281 -5.629 -10.782 93 HA PRO 13 HA PRO 13 2.651 -1.027 -10.756 94 1HB PRO 13 2HB PRO 13 0.795 -0.763 -12.904 95 2HB PRO 13 1HB PRO 13 2.521 -0.420 -12.945 96 1HG PRO 13 2HG PRO 13 1.286 -2.469 -14.351 97 2HG PRO 13 1HG PRO 13 3.009 -2.397 -13.948 98 1HD PRO 13 2HD PRO 13 0.809 -3.902 -12.583 99 2HD PRO 13 1HD PRO 13 2.490 -4.396 -12.901 100 H CYS 14 H CYS 14 0.566 0.511 -10.932 101 HA CYS 14 HA CYS 14 -1.219 -0.330 -8.907 102 1HB CYS 14 2HB CYS 14 -1.418 1.994 -10.809 103 2HB CYS 14 1HB CYS 14 -2.475 1.717 -9.433 104 H PHE 15 H PHE 15 -2.802 -1.752 -9.190 105 HA PHE 15 HA PHE 15 -4.230 -1.878 -11.697 106 1HB PHE 15 2HB PHE 15 -4.742 -3.233 -9.020 107 2HB PHE 15 1HB PHE 15 -5.684 -3.530 -10.477 108 HD1 PHE 15 1HD PHE 15 -2.403 -3.977 -8.873 109 HD2 PHE 15 2HD PHE 15 -4.851 -4.945 -12.210 110 HE1 PHE 15 1HE PHE 15 -0.816 -5.729 -9.518 111 HE2 PHE 15 2HE PHE 15 -3.266 -6.706 -12.863 112 HZ PHE 15 HZ PHE 15 -1.241 -7.099 -11.511 113 H THR 16 H THR 16 -4.971 -1.154 -8.326 114 HA THR 16 HA THR 16 -6.459 1.210 -8.992 115 HB THR 16 HB THR 16 -8.375 0.130 -7.428 116 HG1 THR 16 1HG THR 16 -8.387 -1.982 -7.461 117 1HG2 THR 16 1HG2 THR 16 -8.813 1.180 -9.612 118 2HG2 THR 16 2HG2 THR 16 -9.692 -0.343 -9.469 119 3HG2 THR 16 3HG2 THR 16 -8.212 -0.262 -10.429 120 H THR 17 H THR 17 -6.484 2.649 -7.249 121 HA THR 17 HA THR 17 -4.785 2.420 -5.088 122 HB THR 17 HB THR 17 -7.277 4.097 -5.340 123 HG1 THR 17 1HG THR 17 -5.888 5.618 -6.270 124 1HG2 THR 17 1HG2 THR 17 -6.220 5.652 -3.827 125 2HG2 THR 17 2HG2 THR 17 -4.776 4.678 -3.780 126 3HG2 THR 17 3HG2 THR 17 -6.269 4.064 -3.056 127 H GLY 18 H GLY 18 -8.332 1.942 -5.209 128 1HA GLY 18 2HA GLY 18 -8.727 1.412 -2.489 129 2HA GLY 18 1HA GLY 18 -9.797 0.934 -3.795 130 H SER 19 H SER 19 -7.873 -0.717 -5.141 131 HA SER 19 HA SER 19 -8.236 -3.058 -3.532 132 1HB SER 19 2HB SER 19 -6.853 -2.812 -6.205 133 2HB SER 19 1HB SER 19 -7.454 -4.296 -5.453 134 HG SER 19 HG SER 19 -9.519 -3.027 -5.375 135 H CYS 20 H CYS 20 -5.649 -0.889 -4.293 136 HA CYS 20 HA CYS 20 -3.520 -2.426 -3.226 137 1HB CYS 20 2HB CYS 20 -3.012 -0.399 -4.559 138 2HB CYS 20 1HB CYS 20 -3.958 0.573 -3.498 139 H ASP 21 H ASP 21 -5.808 -0.124 -1.918 140 HA ASP 21 HA ASP 21 -4.988 -0.044 0.765 141 1HB ASP 21 2HB ASP 21 -6.437 1.582 -0.244 142 2HB ASP 21 1HB ASP 21 -7.694 0.374 -0.520 143 H ASP 22 H ASP 22 -7.637 -1.907 -0.685 144 HA ASP 22 HA ASP 22 -8.267 -3.468 1.545 145 1HB ASP 22 2HB ASP 22 -9.759 -3.431 -0.332 146 2HB ASP 22 1HB ASP 22 -8.523 -4.056 -1.409 147 H HIS 23 H HIS 23 -5.918 -4.027 -1.005 148 HA HIS 23 HA HIS 23 -4.993 -6.549 -0.261 149 1HB HIS 23 2HB HIS 23 -4.375 -5.601 -2.379 150 2HB HIS 23 1HB HIS 23 -3.621 -4.218 -1.609 151 HD1 HIS 23 1HD HIS 23 -3.024 -7.778 -2.527 152 HD2 HIS 23 2HD HIS 23 -1.039 -4.654 -0.645 153 HE1 HIS 23 1HE HIS 23 -0.669 -8.523 -2.291 154 HE2 HIS 23 2HE HIS 23 0.386 -6.723 -0.832 155 H CYS 24 H CYS 24 -3.713 -3.350 0.623 156 HA CYS 24 HA CYS 24 -1.698 -4.286 2.319 157 1HB CYS 24 2HB CYS 24 -3.129 -1.643 2.167 158 2HB CYS 24 1HB CYS 24 -1.713 -1.879 3.163 159 H LYS 25 H LYS 25 -5.125 -3.458 2.998 160 HA LYS 25 HA LYS 25 -4.886 -3.604 5.752 161 1HB LYS 25 2HB LYS 25 -7.063 -3.685 3.741 162 2HB LYS 25 1HB LYS 25 -7.394 -3.952 5.436 163 1HG LYS 25 2HG LYS 25 -6.594 -1.755 5.989 164 2HG LYS 25 1HG LYS 25 -6.009 -1.520 4.341 165 1HD LYS 25 2HD LYS 25 -8.262 -1.576 3.490 166 2HD LYS 25 1HD LYS 25 -8.894 -1.951 5.092 167 1HE LYS 25 2HE LYS 25 -8.268 0.189 5.918 168 2HE LYS 25 1HE LYS 25 -7.351 0.553 4.453 169 1HZ LYS 25 1HZ LYS 25 -9.556 1.635 4.516 170 2HZ LYS 25 2HZ LYS 25 -10.284 0.095 4.479 171 3HZ LYS 25 3HZ LYS 25 -9.298 0.610 3.208 172 H ASN 26 H ASN 26 -6.213 -5.914 3.337 173 HA ASN 26 HA ASN 26 -6.748 -7.904 5.261 174 1HB ASN 26 2HB ASN 26 -8.095 -7.736 3.304 175 2HB ASN 26 1HB ASN 26 -6.690 -7.846 2.263 176 1HD2 ASN 26 1HD2 ASN 26 -7.404 -9.561 1.161 177 2HD2 ASN 26 2HD2 ASN 26 -7.509 -11.143 1.840 178 H LYS 27 H LYS 27 -4.363 -7.737 2.612 179 HA LYS 27 HA LYS 27 -3.355 -10.302 3.432 180 1HB LYS 27 2HB LYS 27 -3.656 -9.669 1.026 181 2HB LYS 27 1HB LYS 27 -2.373 -8.496 1.228 182 1HG LYS 27 2HG LYS 27 -1.546 -10.506 0.136 183 2HG LYS 27 1HG LYS 27 -0.780 -10.278 1.706 184 1HD LYS 27 2HD LYS 27 -1.384 -12.636 1.329 185 2HD LYS 27 1HD LYS 27 -2.273 -11.959 2.688 186 1HE LYS 27 2HE LYS 27 -4.248 -11.688 1.298 187 2HE LYS 27 1HE LYS 27 -3.361 -12.238 -0.120 188 1HZ LYS 27 1HZ LYS 27 -3.963 -13.878 2.294 189 2HZ LYS 27 2HZ LYS 27 -3.109 -14.395 0.953 190 3HZ LYS 27 3HZ LYS 27 -4.737 -13.976 0.800 191 H GLU 28 H GLU 28 -2.279 -6.950 3.546 192 HA GLU 28 HA GLU 28 0.143 -7.993 4.747 193 1HB GLU 28 2HB GLU 28 -0.198 -5.301 3.434 194 2HB GLU 28 1HB GLU 28 1.311 -5.912 4.122 195 1HG GLU 28 2HG GLU 28 0.887 -7.952 2.587 196 2HG GLU 28 1HG GLU 28 -0.203 -6.891 1.750 197 H HIS 29 H HIS 29 -2.645 -6.857 5.723 198 HA HIS 29 HA HIS 29 -3.501 -6.314 7.736 199 1HB HIS 29 2HB HIS 29 -2.041 -8.300 8.276 200 2HB HIS 29 1HB HIS 29 -0.803 -7.177 8.799 201 HD1 HIS 29 1HD HIS 29 -0.717 -7.526 11.239 202 HD2 HIS 29 2HD HIS 29 -4.617 -7.208 9.877 203 HE1 HIS 29 1HE HIS 29 -2.155 -7.580 13.300 204 HE2 HIS 29 2HE HIS 29 -4.470 -7.810 12.366 205 H LEU 30 H LEU 30 -2.105 -4.179 6.288 206 HA LEU 30 HA LEU 30 -1.112 -2.540 8.494 207 1HB LEU 30 2HB LEU 30 -0.774 -2.197 5.521 208 2HB LEU 30 1HB LEU 30 -0.188 -1.050 6.709 209 HG LEU 30 HG LEU 30 0.738 -3.911 6.410 210 1HD1 LEU 30 1HD1 LEU 30 2.136 -1.315 5.824 211 2HD1 LEU 30 2HD1 LEU 30 1.576 -2.499 4.642 212 3HD1 LEU 30 3HD1 LEU 30 2.872 -2.914 5.762 213 1HD2 LEU 30 1HD2 LEU 30 2.441 -3.306 8.089 214 2HD2 LEU 30 2HD2 LEU 30 0.807 -3.274 8.737 215 3HD2 LEU 30 3HD2 LEU 30 1.624 -1.762 8.334 216 H ARG 31 H ARG 31 -1.494 -0.005 7.444 217 HA ARG 31 HA ARG 31 -4.086 0.508 8.512 218 1HB ARG 31 2HB ARG 31 -2.002 1.977 8.697 219 2HB ARG 31 1HB ARG 31 -2.279 2.363 7.051 220 1HG ARG 31 2HG ARG 31 -4.510 3.267 7.572 221 2HG ARG 31 1HG ARG 31 -4.155 3.027 9.293 222 1HD ARG 31 2HD ARG 31 -2.234 4.464 9.129 223 2HD ARG 31 1HD ARG 31 -2.466 4.633 7.395 224 HE ARG 31 HE ARG 31 -4.065 5.814 9.517 225 1HH1 ARG 31 1HH1 ARG 31 -3.846 5.328 6.019 226 2HH1 ARG 31 2HH1 ARG 31 -4.316 6.910 5.623 227 1HH2 ARG 31 1HH2 ARG 31 -4.700 8.006 8.964 228 2HH2 ARG 31 2HH2 ARG 31 -4.815 8.467 7.316 229 H SER 32 H SER 32 -2.674 1.371 5.368 230 HA SER 32 HA SER 32 -5.236 1.099 4.004 231 1HB SER 32 2HB SER 32 -3.694 3.698 3.932 232 2HB SER 32 1HB SER 32 -5.280 3.362 3.274 233 HG SER 32 HG SER 32 -6.108 3.940 5.078 234 H GLY 33 H GLY 33 -4.716 1.909 1.690 235 1HA GLY 33 2HA GLY 33 -1.946 1.611 0.938 236 2HA GLY 33 1HA GLY 33 -3.067 0.406 0.306 237 H ARG 34 H ARG 34 -1.537 2.541 -1.011 238 HA ARG 34 HA ARG 34 -3.731 3.587 -2.623 239 1HB ARG 34 2HB ARG 34 -1.828 5.305 -1.082 240 2HB ARG 34 1HB ARG 34 -2.481 5.851 -2.618 241 1HG ARG 34 2HG ARG 34 -4.637 5.727 -1.848 242 2HG ARG 34 1HG ARG 34 -4.181 4.971 -0.309 243 1HD ARG 34 2HD ARG 34 -3.430 7.757 -1.236 244 2HD ARG 34 1HD ARG 34 -4.632 7.368 -0.006 245 HE ARG 34 HE ARG 34 -1.943 6.386 0.491 246 1HH1 ARG 34 1HH1 ARG 34 -4.325 8.914 1.157 247 2HH1 ARG 34 2HH1 ARG 34 -3.497 9.520 2.516 248 1HH2 ARG 34 1HH2 ARG 34 -0.822 7.177 2.342 249 2HH2 ARG 34 2HH2 ARG 34 -1.454 8.505 3.215 250 H CYS 35 H CYS 35 -3.164 4.412 -4.520 251 HA CYS 35 HA CYS 35 -0.741 3.258 -5.656 252 1HB CYS 35 2HB CYS 35 -2.734 2.899 -6.965 253 2HB CYS 35 1HB CYS 35 -3.141 4.612 -6.884 254 H ARG 36 H ARG 36 0.966 4.535 -6.084 255 HA ARG 36 HA ARG 36 0.447 7.381 -5.883 256 1HB ARG 36 2HB ARG 36 2.821 5.837 -4.860 257 2HB ARG 36 1HB ARG 36 2.843 7.583 -5.103 258 1HG ARG 36 2HG ARG 36 1.035 7.893 -3.565 259 2HG ARG 36 1HG ARG 36 0.829 6.164 -3.393 260 1HD ARG 36 2HD ARG 36 1.990 7.259 -1.490 261 2HD ARG 36 1HD ARG 36 2.891 5.958 -2.245 262 HE ARG 36 HE ARG 36 3.837 8.174 -3.469 263 1HH1 ARG 36 1HH1 ARG 36 3.334 7.419 -0.011 264 2HH1 ARG 36 2HH1 ARG 36 4.830 8.027 0.485 265 1HH2 ARG 36 1HH2 ARG 36 5.940 9.070 -2.726 266 2HH2 ARG 36 2HH2 ARG 36 6.342 8.988 -1.086 267 H ASP 37 H ASP 37 2.405 8.649 -6.870 268 HA ASP 37 HA ASP 37 1.985 8.390 -9.637 269 1HB ASP 37 2HB ASP 37 3.895 10.110 -8.072 270 2HB ASP 37 1HB ASP 37 3.829 10.155 -9.827 271 H ASP 38 H ASP 38 4.215 6.831 -7.717 272 HA ASP 38 HA ASP 38 6.079 6.312 -9.869 273 1HB ASP 38 2HB ASP 38 7.260 4.925 -8.109 274 2HB ASP 38 1HB ASP 38 7.128 6.645 -7.765 275 H PHE 39 H PHE 39 3.137 5.238 -9.338 276 HA PHE 39 HA PHE 39 1.874 3.569 -10.147 277 1HB PHE 39 2HB PHE 39 4.402 2.630 -11.537 278 2HB PHE 39 1HB PHE 39 2.814 1.945 -11.789 279 HD1 PHE 39 1HD PHE 39 1.088 3.159 -12.979 280 HD2 PHE 39 2HD PHE 39 4.975 4.806 -12.451 281 HE1 PHE 39 1HE PHE 39 0.622 4.811 -14.739 282 HE2 PHE 39 2HE PHE 39 4.514 6.465 -14.203 283 HZ PHE 39 HZ PHE 39 2.334 6.466 -15.352 284 H ARG 40 H ARG 40 3.475 3.268 -7.665 285 HA ARG 40 HA ARG 40 3.239 0.368 -7.461 286 1HB ARG 40 2HB ARG 40 5.083 2.259 -6.023 287 2HB ARG 40 1HB ARG 40 4.840 0.583 -5.545 288 1HG ARG 40 2HG ARG 40 5.760 1.400 -8.282 289 2HG ARG 40 1HG ARG 40 6.863 1.021 -6.950 290 1HD ARG 40 2HD ARG 40 4.764 -0.862 -8.049 291 2HD ARG 40 1HD ARG 40 6.480 -0.900 -8.459 292 HE ARG 40 HE ARG 40 6.800 -1.131 -5.973 293 1HH1 ARG 40 1HH1 ARG 40 4.105 -2.673 -7.748 294 2HH1 ARG 40 2HH1 ARG 40 3.918 -3.879 -6.559 295 1HH2 ARG 40 1HH2 ARG 40 6.461 -2.846 -4.392 296 2HH2 ARG 40 2HH2 ARG 40 5.274 -4.014 -4.676 297 H CYS 41 H CYS 41 2.468 -0.469 -5.527 298 HA CYS 41 HA CYS 41 0.381 1.075 -4.299 299 1HB CYS 41 2HB CYS 41 -0.071 -1.117 -5.020 300 2HB CYS 41 1HB CYS 41 1.306 -1.790 -4.161 301 H TRP 42 H TRP 42 0.753 2.137 -2.547 302 HA TRP 42 HA TRP 42 2.986 1.387 -0.799 303 1HB TRP 42 2HB TRP 42 1.590 4.017 -1.297 304 2HB TRP 42 1HB TRP 42 2.645 3.739 0.074 305 HD1 TRP 42 HD TRP 42 2.836 3.757 -3.807 306 HE1 TRP 42 1HE TRP 42 5.211 4.517 -4.476 307 HE3 TRP 42 3HE TRP 42 4.901 4.138 0.863 308 HZ2 TRP 42 2HZ TRP 42 7.623 5.221 -3.163 309 HZ3 TRP 42 3HZ TRP 42 7.189 4.876 1.075 310 HH2 TRP 42 HH TRP 42 8.549 5.404 -0.882 311 H CYS 43 H CYS 43 2.420 0.688 1.125 312 HA CYS 43 HA CYS 43 -0.367 0.783 1.990 313 1HB CYS 43 2HB CYS 43 1.977 -0.779 3.083 314 2HB CYS 43 1HB CYS 43 0.301 -0.929 3.585 315 H THR 44 H THR 44 -0.881 2.052 3.707 316 HA THR 44 HA THR 44 1.191 3.746 4.770 317 HB THR 44 HB THR 44 -1.749 3.793 5.469 318 HG1 THR 44 1HG THR 44 -0.550 5.001 3.134 319 1HG2 THR 44 1HG2 THR 44 -0.217 5.299 6.694 320 2HG2 THR 44 2HG2 THR 44 -1.338 6.209 5.684 321 3HG2 THR 44 3HG2 THR 44 0.330 5.976 5.158 322 H ARG 45 H ARG 45 1.598 3.772 7.034 323 HA ARG 45 HA ARG 45 0.244 1.812 8.670 324 1HB ARG 45 2HB ARG 45 2.496 1.218 9.712 325 2HB ARG 45 1HB ARG 45 2.156 0.533 8.133 326 1HG ARG 45 2HG ARG 45 3.616 2.066 7.058 327 2HG ARG 45 1HG ARG 45 3.766 3.027 8.526 328 1HD ARG 45 2HD ARG 45 5.730 1.530 7.981 329 2HD ARG 45 1HD ARG 45 5.064 1.365 9.600 330 HE ARG 45 HE ARG 45 3.948 -0.626 8.848 331 1HH1 ARG 45 1HH1 ARG 45 6.544 0.490 6.672 332 2HH1 ARG 45 2HH1 ARG 45 7.010 -1.103 6.273 333 1HH2 ARG 45 1HH2 ARG 45 4.671 -2.788 8.218 334 2HH2 ARG 45 2HH2 ARG 45 5.925 -2.943 7.090 335 H ASN 46 H ASN 46 0.047 2.411 10.808 336 HA ASN 46 HA ASN 46 0.261 5.126 11.343 337 1HB ASN 46 2HB ASN 46 -0.641 2.676 12.723 338 2HB ASN 46 1HB ASN 46 -0.341 4.111 13.677 339 1HD2 ASN 46 1HD2 ASN 46 -2.818 2.663 13.021 340 2HD2 ASN 46 2HD2 ASN 46 -3.870 3.824 12.319 341 H CYS 47 H CYS 47 1.645 6.215 12.566 342 HA CYS 47 HA CYS 47 3.421 5.040 14.355 343 1HB CYS 47 2HB CYS 47 5.505 5.889 13.262 344 2HB CYS 47 1HB CYS 47 4.728 4.706 12.233 Start of MODEL 7 1 1H LYS 1 1HT LYS 1 3.567 11.762 11.475 2 2H LYS 1 2HT LYS 1 5.123 11.160 11.390 3 3H LYS 1 3HT LYS 1 4.518 11.711 12.868 4 HA LYS 1 HA LYS 1 4.550 9.302 12.754 5 1HB LYS 1 2HB LYS 1 1.772 10.501 12.613 6 2HB LYS 1 1HB LYS 1 2.152 8.911 13.219 7 1HG LYS 1 2HG LYS 1 3.459 9.894 15.039 8 2HG LYS 1 1HG LYS 1 3.056 11.506 14.444 9 1HD LYS 1 2HD LYS 1 0.705 11.073 14.807 10 2HD LYS 1 1HD LYS 1 1.057 9.423 15.305 11 1HE LYS 1 2HE LYS 1 2.328 10.258 17.202 12 2HE LYS 1 1HE LYS 1 2.008 11.916 16.701 13 1HZ LYS 1 1HZ LYS 1 0.520 11.192 18.455 14 2HZ LYS 1 2HZ LYS 1 -0.035 9.919 17.511 15 3HZ LYS 1 3HZ LYS 1 -0.357 11.516 17.047 16 H THR 2 H THR 2 2.721 7.692 11.938 17 HA THR 2 HA THR 2 1.985 6.364 10.386 18 HB THR 2 HB THR 2 1.032 7.198 8.257 19 HG1 THR 2 1HG THR 2 1.645 9.168 7.740 20 1HG2 THR 2 1HG2 THR 2 -0.393 6.772 10.115 21 2HG2 THR 2 2HG2 THR 2 -0.927 8.274 9.370 22 3HG2 THR 2 3HG2 THR 2 0.024 8.316 10.859 23 H CYS 3 H CYS 3 2.809 4.956 9.392 24 HA CYS 3 HA CYS 3 5.317 5.429 7.969 25 1HB CYS 3 2HB CYS 3 4.223 2.961 9.349 26 2HB CYS 3 1HB CYS 3 5.698 2.967 8.403 27 H GLU 4 H GLU 4 5.561 4.632 5.889 28 HA GLU 4 HA GLU 4 3.301 3.276 4.719 29 1HB GLU 4 2HB GLU 4 2.990 5.786 4.641 30 2HB GLU 4 1HB GLU 4 4.413 5.836 3.633 31 1HG GLU 4 2HG GLU 4 3.336 4.726 1.886 32 2HG GLU 4 1HG GLU 4 1.994 4.247 2.946 33 H ASN 5 H ASN 5 3.998 1.883 3.222 34 HA ASN 5 HA ASN 5 6.638 2.141 2.012 35 1HB ASN 5 2HB ASN 5 6.743 0.855 4.338 36 2HB ASN 5 1HB ASN 5 5.918 -0.397 3.407 37 1HD2 ASN 5 1HD2 ASN 5 8.863 1.343 3.846 38 2HD2 ASN 5 2HD2 ASN 5 9.843 0.285 2.899 39 H LEU 6 H LEU 6 6.869 0.339 0.393 40 HA LEU 6 HA LEU 6 4.538 0.337 -1.106 41 1HB LEU 6 2HB LEU 6 7.164 -1.045 -1.463 42 2HB LEU 6 1HB LEU 6 5.888 -0.840 -2.630 43 HG LEU 6 HG LEU 6 6.309 1.697 -2.284 44 1HD1 LEU 6 1HD1 LEU 6 8.920 0.599 -1.314 45 2HD1 LEU 6 2HD1 LEU 6 7.790 1.654 -0.438 46 3HD1 LEU 6 3HD1 LEU 6 8.626 2.244 -1.866 47 1HD2 LEU 6 1HD2 LEU 6 8.259 -0.024 -3.795 48 2HD2 LEU 6 2HD2 LEU 6 8.000 1.704 -4.045 49 3HD2 LEU 6 3HD2 LEU 6 6.699 0.562 -4.372 50 H ALA 7 H ALA 7 3.323 -1.388 -1.595 51 HA ALA 7 HA ALA 7 3.108 -3.544 0.213 52 1HB ALA 7 1HB ALA 7 2.012 -3.170 -2.570 53 2HB ALA 7 2HB ALA 7 1.203 -2.753 -1.057 54 3HB ALA 7 3HB ALA 7 1.521 -4.445 -1.455 55 H ASN 8 H ASN 8 4.310 -5.273 0.289 56 HA ASN 8 HA ASN 8 6.488 -5.537 -1.584 57 1HB ASN 8 2HB ASN 8 7.430 -7.196 -0.115 58 2HB ASN 8 1HB ASN 8 6.799 -5.893 0.876 59 1HD2 ASN 8 1HD2 ASN 8 6.587 -9.218 0.033 60 2HD2 ASN 8 2HD2 ASN 8 5.441 -9.669 1.241 61 H THR 9 H THR 9 3.438 -6.999 -1.169 62 HA THR 9 HA THR 9 4.288 -9.031 -3.065 63 HB THR 9 HB THR 9 2.037 -10.170 -2.388 64 HG1 THR 9 1HG THR 9 2.387 -8.218 -0.371 65 1HG2 THR 9 1HG2 THR 9 4.488 -10.151 -0.636 66 2HG2 THR 9 2HG2 THR 9 4.227 -11.150 -2.071 67 3HG2 THR 9 3HG2 THR 9 3.243 -11.400 -0.630 68 H TYR 10 H TYR 10 3.079 -6.237 -3.292 69 HA TYR 10 HA TYR 10 1.123 -6.895 -5.375 70 1HB TYR 10 2HB TYR 10 0.600 -4.979 -3.804 71 2HB TYR 10 1HB TYR 10 2.031 -4.155 -4.399 72 HD1 TYR 10 1HD TYR 10 2.052 -3.212 -6.686 73 HD2 TYR 10 2HD TYR 10 -1.438 -5.048 -5.083 74 HE1 TYR 10 1HE TYR 10 0.702 -2.170 -8.445 75 HE2 TYR 10 2HE TYR 10 -2.802 -4.008 -6.851 76 HH TYR 10 HH TYR 10 -1.415 -2.585 -9.584 77 H ARG 11 H ARG 11 2.110 -7.458 -7.138 78 HA ARG 11 HA ARG 11 4.807 -6.418 -7.620 79 1HB ARG 11 2HB ARG 11 4.380 -8.889 -7.212 80 2HB ARG 11 1HB ARG 11 3.559 -8.910 -8.759 81 1HG ARG 11 2HG ARG 11 5.818 -9.749 -8.957 82 2HG ARG 11 1HG ARG 11 5.626 -8.249 -9.867 83 1HD ARG 11 2HD ARG 11 7.755 -8.416 -8.546 84 2HD ARG 11 1HD ARG 11 6.786 -6.992 -8.208 85 HE ARG 11 HE ARG 11 5.982 -8.205 -6.209 86 1HH1 ARG 11 1HH1 ARG 11 9.110 -9.197 -7.570 87 2HH1 ARG 11 2HH1 ARG 11 9.814 -9.533 -6.064 88 1HH2 ARG 11 1HH2 ARG 11 6.977 -8.653 -4.108 89 2HH2 ARG 11 2HH2 ARG 11 8.574 -9.228 -4.066 90 H GLY 12 H GLY 12 4.776 -4.827 -9.094 91 1HA GLY 12 2HA GLY 12 4.557 -4.549 -11.535 92 2HA GLY 12 1HA GLY 12 2.895 -5.101 -11.329 93 HA PRO 13 HA PRO 13 2.893 -0.503 -11.018 94 1HB PRO 13 2HB PRO 13 0.948 -0.444 -13.138 95 2HB PRO 13 1HB PRO 13 2.598 0.179 -13.148 96 1HG PRO 13 2HG PRO 13 1.767 -1.961 -14.650 97 2HG PRO 13 1HG PRO 13 3.438 -1.703 -14.116 98 1HD PRO 13 2HD PRO 13 1.323 -3.471 -12.935 99 2HD PRO 13 1HD PRO 13 3.051 -3.803 -13.197 100 H CYS 14 H CYS 14 1.407 0.680 -10.049 101 HA CYS 14 HA CYS 14 -0.885 -0.640 -8.960 102 1HB CYS 14 2HB CYS 14 0.514 0.786 -7.561 103 2HB CYS 14 1HB CYS 14 0.139 2.166 -8.588 104 H PHE 15 H PHE 15 -2.852 -0.483 -9.686 105 HA PHE 15 HA PHE 15 -3.373 1.484 -11.794 106 1HB PHE 15 2HB PHE 15 -4.839 -1.093 -11.221 107 2HB PHE 15 1HB PHE 15 -5.219 0.025 -12.526 108 HD1 PHE 15 1HD PHE 15 -3.430 0.471 -14.274 109 HD2 PHE 15 2HD PHE 15 -3.220 -2.752 -11.508 110 HE1 PHE 15 1HE PHE 15 -1.797 -0.659 -15.721 111 HE2 PHE 15 2HE PHE 15 -1.588 -3.892 -12.954 112 HZ PHE 15 HZ PHE 15 -0.873 -2.844 -15.060 113 H THR 16 H THR 16 -4.556 0.462 -8.642 114 HA THR 16 HA THR 16 -6.289 2.785 -8.594 115 HB THR 16 HB THR 16 -7.458 0.020 -8.136 116 HG1 THR 16 1HG THR 16 -7.197 1.578 -10.411 117 1HG2 THR 16 1HG2 THR 16 -8.571 1.797 -6.880 118 2HG2 THR 16 2HG2 THR 16 -9.616 1.207 -8.174 119 3HG2 THR 16 3HG2 THR 16 -8.764 2.740 -8.359 120 H THR 17 H THR 17 -6.436 3.622 -6.553 121 HA THR 17 HA THR 17 -4.941 2.761 -4.382 122 HB THR 17 HB THR 17 -7.269 4.651 -4.635 123 HG1 THR 17 1HG THR 17 -5.776 5.899 -5.271 124 1HG2 THR 17 1HG2 THR 17 -5.557 4.221 -2.159 125 2HG2 THR 17 2HG2 THR 17 -7.269 3.876 -2.309 126 3HG2 THR 17 3HG2 THR 17 -6.701 5.541 -2.390 127 H GLY 18 H GLY 18 -8.428 2.339 -5.041 128 1HA GLY 18 2HA GLY 18 -9.137 1.050 -2.682 129 2HA GLY 18 1HA GLY 18 -9.951 0.851 -4.225 130 H SER 19 H SER 19 -7.548 -0.222 -5.513 131 HA SER 19 HA SER 19 -7.870 -2.977 -4.797 132 1HB SER 19 2HB SER 19 -5.976 -1.665 -6.756 133 2HB SER 19 1HB SER 19 -6.432 -3.369 -6.731 134 HG SER 19 HG SER 19 -8.616 -2.624 -7.023 135 H CYS 20 H CYS 20 -5.347 -0.521 -4.676 136 HA CYS 20 HA CYS 20 -3.264 -2.015 -3.565 137 1HB CYS 20 2HB CYS 20 -2.974 0.313 -4.497 138 2HB CYS 20 1HB CYS 20 -3.942 0.912 -3.199 139 H ASP 21 H ASP 21 -5.723 0.017 -2.051 140 HA ASP 21 HA ASP 21 -5.127 -0.299 0.619 141 1HB ASP 21 2HB ASP 21 -6.728 1.321 -0.256 142 2HB ASP 21 1HB ASP 21 -7.844 0.023 -0.682 143 H ASP 22 H ASP 22 -7.305 -2.209 -1.405 144 HA ASP 22 HA ASP 22 -8.227 -4.013 0.534 145 1HB ASP 22 2HB ASP 22 -9.255 -3.854 -1.680 146 2HB ASP 22 1HB ASP 22 -7.788 -4.491 -2.416 147 H HIS 23 H HIS 23 -5.514 -4.234 -1.653 148 HA HIS 23 HA HIS 23 -4.578 -6.744 -0.870 149 1HB HIS 23 2HB HIS 23 -3.785 -5.755 -2.912 150 2HB HIS 23 1HB HIS 23 -3.159 -4.354 -2.057 151 HD1 HIS 23 1HD HIS 23 -2.424 -7.964 -2.716 152 HD2 HIS 23 2HD HIS 23 -0.660 -4.666 -0.943 153 HE1 HIS 23 1HE HIS 23 -0.044 -8.629 -2.261 154 HE2 HIS 23 2HE HIS 23 0.882 -6.691 -0.930 155 H CYS 24 H CYS 24 -3.716 -3.514 0.276 156 HA CYS 24 HA CYS 24 -1.804 -4.417 2.078 157 1HB CYS 24 2HB CYS 24 -3.400 -1.848 2.088 158 2HB CYS 24 1HB CYS 24 -1.976 -2.137 3.079 159 H LYS 25 H LYS 25 -5.364 -3.948 2.421 160 HA LYS 25 HA LYS 25 -5.574 -4.165 5.158 161 1HB LYS 25 2HB LYS 25 -7.357 -4.894 2.856 162 2HB LYS 25 1HB LYS 25 -7.850 -4.960 4.518 163 1HG LYS 25 2HG LYS 25 -6.938 -2.454 3.153 164 2HG LYS 25 1HG LYS 25 -8.610 -2.995 3.152 165 1HD LYS 25 2HD LYS 25 -8.496 -2.981 5.662 166 2HD LYS 25 1HD LYS 25 -6.931 -2.176 5.504 167 1HE LYS 25 2HE LYS 25 -7.933 -0.386 4.238 168 2HE LYS 25 1HE LYS 25 -9.501 -1.183 4.293 169 1HZ LYS 25 1HZ LYS 25 -7.993 -0.150 6.619 170 2HZ LYS 25 2HZ LYS 25 -9.492 -0.939 6.682 171 3HZ LYS 25 3HZ LYS 25 -9.363 0.560 5.918 172 H ASN 26 H ASN 26 -6.405 -6.514 2.656 173 HA ASN 26 HA ASN 26 -6.773 -8.600 4.544 174 1HB ASN 26 2HB ASN 26 -8.279 -8.571 2.759 175 2HB ASN 26 1HB ASN 26 -6.999 -8.408 1.567 176 1HD2 ASN 26 1HD2 ASN 26 -6.033 -10.228 0.775 177 2HD2 ASN 26 2HD2 ASN 26 -6.484 -11.828 1.181 178 H LYS 27 H LYS 27 -4.336 -8.006 2.036 179 HA LYS 27 HA LYS 27 -3.189 -10.581 2.668 180 1HB LYS 27 2HB LYS 27 -3.423 -9.567 0.301 181 2HB LYS 27 1HB LYS 27 -2.054 -8.563 0.728 182 1HG LYS 27 2HG LYS 27 -2.045 -11.587 0.647 183 2HG LYS 27 1HG LYS 27 -1.435 -10.539 -0.622 184 1HD LYS 27 2HD LYS 27 0.264 -9.673 0.897 185 2HD LYS 27 1HD LYS 27 -0.381 -10.658 2.206 186 1HE LYS 27 2HE LYS 27 0.135 -12.677 0.882 187 2HE LYS 27 1HE LYS 27 0.850 -11.640 -0.355 188 1HZ LYS 27 1HZ LYS 27 1.780 -11.878 2.452 189 2HZ LYS 27 2HZ LYS 27 2.439 -10.852 1.303 190 3HZ LYS 27 3HZ LYS 27 2.546 -12.525 1.094 191 H GLU 28 H GLU 28 -2.241 -7.142 2.916 192 HA GLU 28 HA GLU 28 0.140 -8.127 4.234 193 1HB GLU 28 2HB GLU 28 -0.370 -5.383 3.113 194 2HB GLU 28 1HB GLU 28 1.134 -5.876 3.882 195 1HG GLU 28 2HG GLU 28 1.083 -7.835 2.174 196 2HG GLU 28 1HG GLU 28 -0.103 -6.887 1.333 197 H HIS 29 H HIS 29 -2.755 -7.232 5.160 198 HA HIS 29 HA HIS 29 -3.726 -6.847 7.108 199 1HB HIS 29 2HB HIS 29 -1.102 -7.937 8.108 200 2HB HIS 29 1HB HIS 29 -2.376 -7.472 9.223 201 HD1 HIS 29 1HD HIS 29 -3.975 -9.279 9.801 202 HD2 HIS 29 2HD HIS 29 -2.046 -10.027 6.200 203 HE1 HIS 29 1HE HIS 29 -4.684 -11.585 9.123 204 HE2 HIS 29 2HE HIS 29 -3.361 -12.083 7.050 205 H LEU 30 H LEU 30 -2.616 -4.560 5.945 206 HA LEU 30 HA LEU 30 -1.732 -3.106 8.315 207 1HB LEU 30 2HB LEU 30 -1.233 -2.432 5.420 208 2HB LEU 30 1HB LEU 30 -0.796 -1.395 6.754 209 HG LEU 30 HG LEU 30 0.330 -4.160 6.259 210 1HD1 LEU 30 1HD1 LEU 30 2.446 -2.969 5.908 211 2HD1 LEU 30 2HD1 LEU 30 1.574 -1.434 5.982 212 3HD1 LEU 30 3HD1 LEU 30 1.228 -2.595 4.697 213 1HD2 LEU 30 1HD2 LEU 30 0.197 -3.748 8.631 214 2HD2 LEU 30 2HD2 LEU 30 0.935 -2.159 8.431 215 3HD2 LEU 30 3HD2 LEU 30 1.877 -3.615 8.108 216 H ARG 31 H ARG 31 -2.197 -0.523 7.559 217 HA ARG 31 HA ARG 31 -4.891 -0.341 8.485 218 1HB ARG 31 2HB ARG 31 -2.713 1.126 8.898 219 2HB ARG 31 1HB ARG 31 -3.289 1.958 7.512 220 1HG ARG 31 2HG ARG 31 -5.060 1.639 9.928 221 2HG ARG 31 1HG ARG 31 -3.993 3.020 9.687 222 1HD ARG 31 2HD ARG 31 -5.128 3.545 7.606 223 2HD ARG 31 1HD ARG 31 -6.162 2.137 7.797 224 HE ARG 31 HE ARG 31 -6.409 3.773 10.041 225 1HH1 ARG 31 1HH1 ARG 31 -7.160 3.882 6.577 226 2HH1 ARG 31 2HH1 ARG 31 -8.598 4.775 6.759 227 1HH2 ARG 31 1HH2 ARG 31 -8.374 5.049 10.280 228 2HH2 ARG 31 2HH2 ARG 31 -9.309 5.434 8.891 229 H SER 32 H SER 32 -3.247 0.985 5.604 230 HA SER 32 HA SER 32 -5.595 0.546 3.949 231 1HB SER 32 2HB SER 32 -4.465 3.348 4.250 232 2HB SER 32 1HB SER 32 -5.843 2.843 3.295 233 HG SER 32 HG SER 32 -6.690 2.084 5.390 234 H GLY 33 H GLY 33 -4.942 1.696 1.735 235 1HA GLY 33 2HA GLY 33 -2.099 1.594 1.257 236 2HA GLY 33 1HA GLY 33 -3.095 0.401 0.412 237 H ARG 34 H ARG 34 -1.547 2.819 -0.453 238 HA ARG 34 HA ARG 34 -3.701 4.016 -2.060 239 1HB ARG 34 2HB ARG 34 -1.660 5.520 -0.470 240 2HB ARG 34 1HB ARG 34 -2.419 6.193 -1.905 241 1HG ARG 34 2HG ARG 34 -4.533 5.945 -0.953 242 2HG ARG 34 1HG ARG 34 -3.881 5.234 0.537 243 1HD ARG 34 2HD ARG 34 -3.349 8.026 -0.519 244 2HD ARG 34 1HD ARG 34 -4.348 7.619 0.872 245 HE ARG 34 HE ARG 34 -1.722 6.617 1.204 246 1HH1 ARG 34 1HH1 ARG 34 -3.607 9.599 1.409 247 2HH1 ARG 34 2HH1 ARG 34 -2.532 10.388 2.450 248 1HH2 ARG 34 1HH2 ARG 34 -0.224 7.679 2.684 249 2HH2 ARG 34 2HH2 ARG 34 -0.553 9.255 3.197 250 H CYS 35 H CYS 35 -3.347 4.796 -3.818 251 HA CYS 35 HA CYS 35 -1.084 3.581 -5.163 252 1HB CYS 35 2HB CYS 35 -3.514 3.376 -5.813 253 2HB CYS 35 1HB CYS 35 -3.400 5.030 -6.405 254 H ARG 36 H ARG 36 0.553 4.884 -4.803 255 HA ARG 36 HA ARG 36 0.240 7.772 -4.886 256 1HB ARG 36 2HB ARG 36 2.652 6.071 -4.283 257 2HB ARG 36 1HB ARG 36 2.646 7.827 -4.262 258 1HG ARG 36 2HG ARG 36 0.874 7.721 -2.514 259 2HG ARG 36 1HG ARG 36 1.077 5.985 -2.495 260 1HD ARG 36 2HD ARG 36 2.350 7.120 -0.700 261 2HD ARG 36 1HD ARG 36 3.338 6.152 -1.781 262 HE ARG 36 HE ARG 36 3.494 8.637 -2.841 263 1HH1 ARG 36 1HH1 ARG 36 3.892 7.536 0.492 264 2HH1 ARG 36 2HH1 ARG 36 5.266 8.503 0.793 265 1HH2 ARG 36 1HH2 ARG 36 5.347 10.010 -2.412 266 2HH2 ARG 36 2HH2 ARG 36 6.138 9.905 -0.908 267 H ASP 37 H ASP 37 1.729 9.103 -6.136 268 HA ASP 37 HA ASP 37 1.867 8.184 -8.854 269 1HB ASP 37 2HB ASP 37 1.354 10.575 -8.302 270 2HB ASP 37 1HB ASP 37 2.996 10.749 -7.692 271 H ASP 38 H ASP 38 3.079 6.477 -8.331 272 HA ASP 38 HA ASP 38 5.922 6.759 -8.925 273 1HB ASP 38 2HB ASP 38 5.755 7.038 -6.440 274 2HB ASP 38 1HB ASP 38 4.950 5.487 -6.337 275 H PHE 39 H PHE 39 3.090 5.421 -9.676 276 HA PHE 39 HA PHE 39 2.137 3.541 -10.276 277 1HB PHE 39 2HB PHE 39 4.954 2.971 -11.219 278 2HB PHE 39 1HB PHE 39 3.612 1.899 -11.550 279 HD1 PHE 39 1HD PHE 39 5.203 5.029 -12.388 280 HD2 PHE 39 2HD PHE 39 1.748 2.624 -12.951 281 HE1 PHE 39 1HE PHE 39 4.592 6.372 -14.343 282 HE2 PHE 39 2HE PHE 39 1.125 3.960 -14.915 283 HZ PHE 39 HZ PHE 39 2.546 5.837 -15.617 284 H ARG 40 H ARG 40 3.276 3.562 -7.516 285 HA ARG 40 HA ARG 40 3.266 0.667 -7.205 286 1HB ARG 40 2HB ARG 40 5.045 2.588 -5.684 287 2HB ARG 40 1HB ARG 40 4.810 0.893 -5.311 288 1HG ARG 40 2HG ARG 40 5.794 1.837 -7.970 289 2HG ARG 40 1HG ARG 40 6.867 1.409 -6.625 290 1HD ARG 40 2HD ARG 40 4.820 -0.437 -7.883 291 2HD ARG 40 1HD ARG 40 6.539 -0.433 -8.257 292 HE ARG 40 HE ARG 40 6.694 -0.735 -5.694 293 1HH1 ARG 40 1HH1 ARG 40 4.392 -2.426 -7.888 294 2HH1 ARG 40 2HH1 ARG 40 4.352 -3.796 -6.868 295 1HH2 ARG 40 1HH2 ARG 40 6.576 -2.697 -4.400 296 2HH2 ARG 40 2HH2 ARG 40 5.588 -3.970 -4.938 297 H CYS 41 H CYS 41 2.323 -0.178 -5.543 298 HA CYS 41 HA CYS 41 0.256 1.302 -4.223 299 1HB CYS 41 2HB CYS 41 -0.245 -0.835 -5.066 300 2HB CYS 41 1HB CYS 41 1.147 -1.586 -4.286 301 H TRP 42 H TRP 42 0.584 2.249 -2.335 302 HA TRP 42 HA TRP 42 2.811 1.351 -0.658 303 1HB TRP 42 2HB TRP 42 1.598 4.083 -1.027 304 2HB TRP 42 1HB TRP 42 2.636 3.674 0.326 305 HD1 TRP 42 HD TRP 42 2.813 3.803 -3.548 306 HE1 TRP 42 1HE TRP 42 5.252 4.461 -4.200 307 HE3 TRP 42 3HE TRP 42 4.927 3.923 1.114 308 HZ2 TRP 42 2HZ TRP 42 7.676 4.990 -2.898 309 HZ3 TRP 42 3HZ TRP 42 7.249 4.533 1.336 310 HH2 TRP 42 HH TRP 42 8.629 5.056 -0.626 311 H CYS 43 H CYS 43 2.130 0.292 1.017 312 HA CYS 43 HA CYS 43 -0.546 0.552 2.058 313 1HB CYS 43 2HB CYS 43 1.825 -1.074 3.014 314 2HB CYS 43 1HB CYS 43 0.160 -1.224 3.570 315 H THR 44 H THR 44 -1.002 1.580 4.066 316 HA THR 44 HA THR 44 1.257 3.070 5.119 317 HB THR 44 HB THR 44 -0.245 4.391 3.525 318 HG1 THR 44 1HG THR 44 0.487 5.909 4.511 319 1HG2 THR 44 1HG2 THR 44 -2.398 3.472 4.134 320 2HG2 THR 44 2HG2 THR 44 -2.394 5.219 4.399 321 3HG2 THR 44 3HG2 THR 44 -2.241 4.117 5.770 322 H ARG 45 H ARG 45 1.029 3.421 7.365 323 HA ARG 45 HA ARG 45 -1.259 2.309 8.737 324 1HB ARG 45 2HB ARG 45 0.098 0.888 10.211 325 2HB ARG 45 1HB ARG 45 0.197 0.347 8.543 326 1HG ARG 45 2HG ARG 45 2.398 1.122 8.307 327 2HG ARG 45 1HG ARG 45 2.273 2.143 9.742 328 1HD ARG 45 2HD ARG 45 2.203 -0.875 9.766 329 2HD ARG 45 1HD ARG 45 3.625 0.106 10.123 330 HE ARG 45 HE ARG 45 1.758 1.089 11.818 331 1HH1 ARG 45 1HH1 ARG 45 3.054 -2.137 11.274 332 2HH1 ARG 45 2HH1 ARG 45 2.755 -2.696 12.851 333 1HH2 ARG 45 1HH2 ARG 45 1.354 0.370 13.981 334 2HH2 ARG 45 2HH2 ARG 45 1.735 -1.221 14.440 335 H ASN 46 H ASN 46 -1.261 2.913 11.054 336 HA ASN 46 HA ASN 46 -0.081 5.387 11.510 337 1HB ASN 46 2HB ASN 46 -1.587 3.420 13.213 338 2HB ASN 46 1HB ASN 46 -1.157 5.054 13.671 339 1HD2 ASN 46 1HD2 ASN 46 -2.228 6.796 12.662 340 2HD2 ASN 46 2HD2 ASN 46 -3.710 6.543 11.805 341 H CYS 47 H CYS 47 1.589 5.810 12.888 342 HA CYS 47 HA CYS 47 2.720 3.955 14.624 343 1HB CYS 47 2HB CYS 47 4.969 3.838 13.603 344 2HB CYS 47 1HB CYS 47 3.798 3.145 12.490 Start of MODEL 8 1 1H LYS 1 1HT LYS 1 5.073 7.562 15.397 2 2H LYS 1 2HT LYS 1 5.053 6.126 14.495 3 3H LYS 1 3HT LYS 1 3.648 6.663 15.196 4 HA LYS 1 HA LYS 1 3.604 8.583 13.747 5 1HB LYS 1 2HB LYS 1 5.962 7.205 12.425 6 2HB LYS 1 1HB LYS 1 5.109 8.594 11.816 7 1HG LYS 1 2HG LYS 1 5.911 9.968 13.637 8 2HG LYS 1 1HG LYS 1 6.707 8.575 14.369 9 1HD LYS 1 2HD LYS 1 8.309 9.980 13.135 10 2HD LYS 1 1HD LYS 1 8.180 8.373 12.421 11 1HE LYS 1 2HE LYS 1 6.709 9.257 10.676 12 2HE LYS 1 1HE LYS 1 6.776 10.857 11.407 13 1HZ LYS 1 1HZ LYS 1 9.166 10.883 10.946 14 2HZ LYS 1 2HZ LYS 1 8.283 10.735 9.543 15 3HZ LYS 1 3HZ LYS 1 9.067 9.390 10.182 16 H THR 2 H THR 2 3.333 8.135 11.201 17 HA THR 2 HA THR 2 2.538 5.385 10.820 18 HB THR 2 HB THR 2 0.848 6.302 9.183 19 HG1 THR 2 1HG THR 2 1.163 8.626 10.822 20 1HG2 THR 2 1HG2 THR 2 -0.899 6.609 10.932 21 2HG2 THR 2 2HG2 THR 2 0.383 6.720 12.138 22 3HG2 THR 2 3HG2 THR 2 0.149 5.224 11.236 23 H CYS 3 H CYS 3 3.340 4.514 9.125 24 HA CYS 3 HA CYS 3 5.031 6.201 7.418 25 1HB CYS 3 2HB CYS 3 5.495 3.357 8.339 26 2HB CYS 3 1HB CYS 3 6.460 4.228 7.151 27 H GLU 4 H GLU 4 4.540 6.162 5.380 28 HA GLU 4 HA GLU 4 2.794 4.026 4.394 29 1HB GLU 4 2HB GLU 4 2.087 6.470 4.170 30 2HB GLU 4 1HB GLU 4 3.458 6.658 3.118 31 1HG GLU 4 2HG GLU 4 2.576 5.233 1.500 32 2HG GLU 4 1HG GLU 4 1.251 4.697 2.541 33 H ASN 5 H ASN 5 3.835 2.489 3.461 34 HA ASN 5 HA ASN 5 6.154 3.112 1.785 35 1HB ASN 5 2HB ASN 5 6.146 1.042 4.001 36 2HB ASN 5 1HB ASN 5 7.343 1.110 2.719 37 1HD2 ASN 5 1HD2 ASN 5 8.835 2.784 2.706 38 2HD2 ASN 5 2HD2 ASN 5 9.111 3.781 4.071 39 H LEU 6 H LEU 6 6.629 1.524 0.276 40 HA LEU 6 HA LEU 6 4.492 0.682 -1.146 41 1HB LEU 6 2HB LEU 6 7.358 -0.072 -1.011 42 2HB LEU 6 1HB LEU 6 6.266 -0.707 -2.217 43 HG LEU 6 HG LEU 6 6.698 2.254 -1.856 44 1HD1 LEU 6 1HD1 LEU 6 8.846 1.240 -2.365 45 2HD1 LEU 6 2HD1 LEU 6 8.227 2.118 -3.764 46 3HD1 LEU 6 3HD1 LEU 6 8.128 0.360 -3.714 47 1HD2 LEU 6 1HD2 LEU 6 5.842 2.338 -4.142 48 2HD2 LEU 6 2HD2 LEU 6 4.678 1.588 -3.057 49 3HD2 LEU 6 3HD2 LEU 6 5.646 0.588 -4.141 50 H ALA 7 H ALA 7 3.409 -1.174 -1.364 51 HA ALA 7 HA ALA 7 3.032 -2.867 0.791 52 1HB ALA 7 1HB ALA 7 1.756 -4.251 -0.755 53 2HB ALA 7 2HB ALA 7 2.450 -3.348 -2.111 54 3HB ALA 7 3HB ALA 7 1.396 -2.537 -0.958 55 H ASN 8 H ASN 8 3.539 -5.021 1.128 56 HA ASN 8 HA ASN 8 6.280 -5.629 0.390 57 1HB ASN 8 2HB ASN 8 4.381 -7.017 2.285 58 2HB ASN 8 1HB ASN 8 6.068 -7.445 2.052 59 1HD2 ASN 8 1HD2 ASN 8 3.839 -5.122 3.353 60 2HD2 ASN 8 2HD2 ASN 8 4.984 -4.308 4.361 61 H THR 9 H THR 9 3.049 -6.868 -0.091 62 HA THR 9 HA THR 9 4.178 -9.109 -1.639 63 HB THR 9 HB THR 9 1.488 -9.083 -0.242 64 HG1 THR 9 1HG THR 9 3.397 -8.714 1.137 65 1HG2 THR 9 1HG2 THR 9 1.868 -10.858 -1.942 66 2HG2 THR 9 2HG2 THR 9 1.758 -11.530 -0.320 67 3HG2 THR 9 3HG2 THR 9 3.333 -11.347 -1.089 68 H TYR 10 H TYR 10 3.336 -6.326 -2.489 69 HA TYR 10 HA TYR 10 1.216 -7.114 -4.371 70 1HB TYR 10 2HB TYR 10 0.831 -5.026 -2.988 71 2HB TYR 10 1HB TYR 10 2.186 -4.295 -3.826 72 HD1 TYR 10 1HD TYR 10 1.958 -3.664 -6.235 73 HD2 TYR 10 2HD TYR 10 -1.305 -5.278 -4.028 74 HE1 TYR 10 1HE TYR 10 0.391 -2.850 -7.957 75 HE2 TYR 10 2HE TYR 10 -2.870 -4.481 -5.744 76 HH TYR 10 HH TYR 10 -1.888 -3.370 -8.786 77 H ARG 11 H ARG 11 1.725 -7.381 -6.399 78 HA ARG 11 HA ARG 11 4.165 -6.255 -7.477 79 1HB ARG 11 2HB ARG 11 4.785 -8.457 -6.543 80 2HB ARG 11 1HB ARG 11 3.521 -9.211 -7.500 81 1HG ARG 11 2HG ARG 11 4.682 -8.526 -9.545 82 2HG ARG 11 1HG ARG 11 5.951 -7.798 -8.563 83 1HD ARG 11 2HD ARG 11 5.171 -10.706 -8.462 84 2HD ARG 11 1HD ARG 11 6.521 -10.060 -9.389 85 HE ARG 11 HE ARG 11 7.244 -9.188 -7.076 86 1HH1 ARG 11 1HH1 ARG 11 5.680 -12.339 -7.656 87 2HH1 ARG 11 2HH1 ARG 11 6.525 -13.105 -6.393 88 1HH2 ARG 11 1HH2 ARG 11 8.416 -10.338 -5.356 89 2HH2 ARG 11 2HH2 ARG 11 8.069 -11.986 -5.105 90 H GLY 12 H GLY 12 3.380 -5.190 -9.142 91 1HA GLY 12 2HA GLY 12 2.540 -5.901 -11.478 92 2HA GLY 12 1HA GLY 12 1.057 -6.197 -10.566 93 HA PRO 13 HA PRO 13 1.266 -1.684 -11.343 94 1HB PRO 13 2HB PRO 13 -0.523 -1.341 -13.308 95 2HB PRO 13 1HB PRO 13 1.151 -1.784 -13.654 96 1HG PRO 13 2HG PRO 13 -1.294 -3.448 -13.693 97 2HG PRO 13 1HG PRO 13 0.152 -3.543 -14.712 98 1HD PRO 13 2HD PRO 13 -0.406 -5.172 -12.466 99 2HD PRO 13 1HD PRO 13 1.163 -5.017 -13.274 100 H CYS 14 H CYS 14 -0.233 -0.214 -10.634 101 HA CYS 14 HA CYS 14 -2.687 -1.291 -9.476 102 1HB CYS 14 2HB CYS 14 -1.140 -0.552 -7.783 103 2HB CYS 14 1HB CYS 14 -0.837 0.949 -8.634 104 H PHE 15 H PHE 15 -4.454 0.271 -9.431 105 HA PHE 15 HA PHE 15 -4.356 2.338 -11.496 106 1HB PHE 15 2HB PHE 15 -6.553 0.248 -11.286 107 2HB PHE 15 1HB PHE 15 -6.596 1.653 -12.332 108 HD1 PHE 15 1HD PHE 15 -5.176 -1.675 -11.807 109 HD2 PHE 15 2HD PHE 15 -5.250 1.742 -14.342 110 HE1 PHE 15 1HE PHE 15 -4.111 -2.986 -13.595 111 HE2 PHE 15 2HE PHE 15 -4.186 0.437 -16.133 112 HZ PHE 15 HZ PHE 15 -3.616 -1.924 -15.764 113 H THR 16 H THR 16 -6.601 0.803 -9.211 114 HA THR 16 HA THR 16 -7.626 3.413 -8.453 115 HB THR 16 HB THR 16 -8.592 0.627 -7.764 116 HG1 THR 16 1HG THR 16 -9.200 2.403 -9.888 117 1HG2 THR 16 1HG2 THR 16 -9.999 3.310 -7.697 118 2HG2 THR 16 2HG2 THR 16 -9.478 2.387 -6.287 119 3HG2 THR 16 3HG2 THR 16 -10.741 1.751 -7.340 120 H THR 17 H THR 17 -7.208 4.319 -6.468 121 HA THR 17 HA THR 17 -5.209 3.489 -4.740 122 HB THR 17 HB THR 17 -7.556 5.315 -4.219 123 HG1 THR 17 1HG THR 17 -6.329 6.825 -5.202 124 1HG2 THR 17 1HG2 THR 17 -4.837 5.354 -2.942 125 2HG2 THR 17 2HG2 THR 17 -6.236 4.590 -2.194 126 3HG2 THR 17 3HG2 THR 17 -6.235 6.329 -2.501 127 H GLY 18 H GLY 18 -8.707 2.990 -4.483 128 1HA GLY 18 2HA GLY 18 -8.725 1.831 -1.930 129 2HA GLY 18 1HA GLY 18 -9.960 1.616 -3.157 130 H SER 19 H SER 19 -7.696 0.486 -4.951 131 HA SER 19 HA SER 19 -8.215 -2.256 -4.323 132 1HB SER 19 2HB SER 19 -6.229 -1.124 -6.303 133 2HB SER 19 1HB SER 19 -6.983 -2.722 -6.335 134 HG SER 19 HG SER 19 -7.991 -1.315 -7.765 135 H CYS 20 H CYS 20 -5.592 0.008 -4.000 136 HA CYS 20 HA CYS 20 -3.683 -1.880 -3.086 137 1HB CYS 20 2HB CYS 20 -2.942 0.271 -4.041 138 2HB CYS 20 1HB CYS 20 -3.823 1.124 -2.830 139 H ASP 21 H ASP 21 -6.023 0.280 -1.597 140 HA ASP 21 HA ASP 21 -5.274 -0.119 1.084 141 1HB ASP 21 2HB ASP 21 -6.700 1.702 0.381 142 2HB ASP 21 1HB ASP 21 -7.999 0.577 -0.057 143 H ASP 22 H ASP 22 -7.617 -1.798 -0.958 144 HA ASP 22 HA ASP 22 -8.583 -3.750 0.786 145 1HB ASP 22 2HB ASP 22 -9.457 -3.580 -1.447 146 2HB ASP 22 1HB ASP 22 -7.889 -3.940 -2.157 147 H HIS 23 H HIS 23 -5.753 -3.850 -1.280 148 HA HIS 23 HA HIS 23 -4.775 -6.351 -0.514 149 1HB HIS 23 2HB HIS 23 -3.988 -5.306 -2.546 150 2HB HIS 23 1HB HIS 23 -3.359 -3.934 -1.648 151 HD1 HIS 23 1HD HIS 23 -2.623 -7.557 -2.376 152 HD2 HIS 23 2HD HIS 23 -0.826 -4.269 -0.589 153 HE1 HIS 23 1HE HIS 23 -0.300 -8.263 -1.832 154 HE2 HIS 23 2HE HIS 23 0.610 -6.329 -0.457 155 H CYS 24 H CYS 24 -3.837 -3.137 0.676 156 HA CYS 24 HA CYS 24 -1.888 -4.110 2.439 157 1HB CYS 24 2HB CYS 24 -3.409 -1.509 2.504 158 2HB CYS 24 1HB CYS 24 -1.934 -1.841 3.398 159 H LYS 25 H LYS 25 -5.357 -3.494 2.871 160 HA LYS 25 HA LYS 25 -5.182 -3.853 5.685 161 1HB LYS 25 2HB LYS 25 -7.097 -2.934 3.760 162 2HB LYS 25 1HB LYS 25 -7.831 -4.011 4.932 163 1HG LYS 25 2HG LYS 25 -6.117 -1.664 5.685 164 2HG LYS 25 1HG LYS 25 -7.867 -1.565 5.505 165 1HD LYS 25 2HD LYS 25 -8.142 -3.289 7.228 166 2HD LYS 25 1HD LYS 25 -6.392 -3.409 7.391 167 1HE LYS 25 2HE LYS 25 -7.403 -2.039 9.159 168 2HE LYS 25 1HE LYS 25 -6.273 -1.122 8.165 169 1HZ LYS 25 1HZ LYS 25 -8.161 -0.219 6.942 170 2HZ LYS 25 2HZ LYS 25 -8.278 0.135 8.580 171 3HZ LYS 25 3HZ LYS 25 -9.230 -1.086 7.913 172 H ASN 26 H ASN 26 -6.633 -5.773 3.001 173 HA ASN 26 HA ASN 26 -7.375 -7.747 4.900 174 1HB ASN 26 2HB ASN 26 -8.890 -7.395 3.115 175 2HB ASN 26 1HB ASN 26 -7.631 -7.611 1.907 176 1HD2 ASN 26 1HD2 ASN 26 -7.105 -9.650 1.259 177 2HD2 ASN 26 2HD2 ASN 26 -7.923 -11.065 1.795 178 H LYS 27 H LYS 27 -4.794 -7.449 2.496 179 HA LYS 27 HA LYS 27 -4.025 -10.172 3.123 180 1HB LYS 27 2HB LYS 27 -3.957 -9.434 0.745 181 2HB LYS 27 1HB LYS 27 -2.735 -8.256 1.179 182 1HG LYS 27 2HG LYS 27 -1.731 -10.198 0.133 183 2HG LYS 27 1HG LYS 27 -1.207 -10.055 1.809 184 1HD LYS 27 2HD LYS 27 -2.807 -11.756 2.489 185 2HD LYS 27 1HD LYS 27 -3.420 -11.861 0.837 186 1HE LYS 27 2HE LYS 27 -0.607 -12.520 1.709 187 2HE LYS 27 1HE LYS 27 -1.881 -13.704 1.437 188 1HZ LYS 27 1HZ LYS 27 -1.975 -13.006 -0.885 189 2HZ LYS 27 2HZ LYS 27 -0.427 -13.515 -0.477 190 3HZ LYS 27 3HZ LYS 27 -0.756 -11.877 -0.624 191 H GLU 28 H GLU 28 -2.567 -6.909 3.370 192 HA GLU 28 HA GLU 28 -0.385 -8.192 4.771 193 1HB GLU 28 2HB GLU 28 -0.558 -5.327 3.839 194 2HB GLU 28 1HB GLU 28 0.869 -6.097 4.535 195 1HG GLU 28 2HG GLU 28 0.613 -7.819 2.655 196 2HG GLU 28 1HG GLU 28 -0.480 -6.675 1.935 197 H HIS 29 H HIS 29 -3.201 -6.717 5.526 198 HA HIS 29 HA HIS 29 -4.247 -6.178 7.414 199 1HB HIS 29 2HB HIS 29 -3.238 -8.436 8.006 200 2HB HIS 29 1HB HIS 29 -1.978 -7.563 8.862 201 HD1 HIS 29 1HD HIS 29 -2.424 -7.366 11.282 202 HD2 HIS 29 2HD HIS 29 -5.930 -7.656 9.093 203 HE1 HIS 29 1HE HIS 29 -4.271 -7.488 12.981 204 HE2 HIS 29 2HE HIS 29 -6.396 -7.630 11.614 205 H LEU 30 H LEU 30 -2.561 -4.255 6.353 206 HA LEU 30 HA LEU 30 -1.332 -2.926 8.644 207 1HB LEU 30 2HB LEU 30 -1.145 -2.328 5.693 208 2HB LEU 30 1HB LEU 30 -0.323 -1.417 6.944 209 HG LEU 30 HG LEU 30 0.169 -4.335 6.302 210 1HD1 LEU 30 1HD1 LEU 30 1.858 -1.901 5.772 211 2HD1 LEU 30 2HD1 LEU 30 1.043 -2.907 4.569 212 3HD1 LEU 30 3HD1 LEU 30 2.358 -3.575 5.535 213 1HD2 LEU 30 1HD2 LEU 30 0.523 -3.894 8.663 214 2HD2 LEU 30 2HD2 LEU 30 1.528 -2.500 8.270 215 3HD2 LEU 30 3HD2 LEU 30 2.069 -4.124 7.846 216 H ARG 31 H ARG 31 -1.566 -0.263 7.830 217 HA ARG 31 HA ARG 31 -4.067 0.251 9.087 218 1HB ARG 31 2HB ARG 31 -1.830 1.598 9.200 219 2HB ARG 31 1HB ARG 31 -2.335 2.297 7.749 220 1HG ARG 31 2HG ARG 31 -4.417 3.146 8.721 221 2HG ARG 31 1HG ARG 31 -3.953 2.463 10.278 222 1HD ARG 31 2HD ARG 31 -1.924 3.850 10.250 223 2HD ARG 31 1HD ARG 31 -2.451 4.580 8.744 224 HE ARG 31 HE ARG 31 -4.113 4.749 11.157 225 1HH1 ARG 31 1HH1 ARG 31 -2.609 6.389 8.438 226 2HH1 ARG 31 2HH1 ARG 31 -2.775 7.969 9.059 227 1HH2 ARG 31 1HH2 ARG 31 -4.461 6.917 12.010 228 2HH2 ARG 31 2HH2 ARG 31 -3.931 8.275 11.150 229 H SER 32 H SER 32 -2.811 1.199 5.881 230 HA SER 32 HA SER 32 -5.379 0.953 4.573 231 1HB SER 32 2HB SER 32 -4.080 3.676 4.721 232 2HB SER 32 1HB SER 32 -5.621 3.266 3.990 233 HG SER 32 HG SER 32 -5.818 2.456 6.428 234 H GLY 33 H GLY 33 -4.975 2.016 2.319 235 1HA GLY 33 2HA GLY 33 -2.190 1.825 1.520 236 2HA GLY 33 1HA GLY 33 -3.315 0.673 0.805 237 H ARG 34 H ARG 34 -1.745 2.849 -0.371 238 HA ARG 34 HA ARG 34 -3.926 4.077 -1.891 239 1HB ARG 34 2HB ARG 34 -1.631 5.615 -0.688 240 2HB ARG 34 1HB ARG 34 -2.562 6.193 -2.056 241 1HG ARG 34 2HG ARG 34 -4.515 6.001 -0.785 242 2HG ARG 34 1HG ARG 34 -3.603 5.635 0.709 243 1HD ARG 34 2HD ARG 34 -3.654 8.166 -0.959 244 2HD ARG 34 1HD ARG 34 -4.049 8.002 0.747 245 HE ARG 34 HE ARG 34 -1.440 7.314 0.718 246 1HH1 ARG 34 1HH1 ARG 34 -3.155 10.097 -0.617 247 2HH1 ARG 34 2HH1 ARG 34 -1.816 11.136 -0.570 248 1HH2 ARG 34 1HH2 ARG 34 0.397 8.688 0.753 249 2HH2 ARG 34 2HH2 ARG 34 0.286 10.313 0.251 250 H CYS 35 H CYS 35 -3.306 4.998 -3.759 251 HA CYS 35 HA CYS 35 -1.260 3.308 -4.995 252 1HB CYS 35 2HB CYS 35 -3.631 2.952 -5.628 253 2HB CYS 35 1HB CYS 35 -3.669 4.580 -6.307 254 H ARG 36 H ARG 36 0.493 4.419 -5.277 255 HA ARG 36 HA ARG 36 0.362 7.250 -6.091 256 1HB ARG 36 2HB ARG 36 2.443 5.891 -4.359 257 2HB ARG 36 1HB ARG 36 2.493 7.556 -4.904 258 1HG ARG 36 2HG ARG 36 0.557 8.087 -3.610 259 2HG ARG 36 1HG ARG 36 0.343 6.407 -3.161 260 1HD ARG 36 2HD ARG 36 1.410 7.831 -1.380 261 2HD ARG 36 1HD ARG 36 2.300 6.383 -1.834 262 HE ARG 36 HE ARG 36 3.397 8.307 -3.390 263 1HH1 ARG 36 1HH1 ARG 36 2.830 8.125 0.114 264 2HH1 ARG 36 2HH1 ARG 36 4.231 9.003 0.495 265 1HH2 ARG 36 1HH2 ARG 36 5.316 9.417 -2.840 266 2HH2 ARG 36 2HH2 ARG 36 5.690 9.761 -1.196 267 H ASP 37 H ASP 37 2.673 7.772 -7.037 268 HA ASP 37 HA ASP 37 4.209 7.514 -8.673 269 1HB ASP 37 2HB ASP 37 4.071 4.629 -7.805 270 2HB ASP 37 1HB ASP 37 5.179 5.198 -9.047 271 H ASP 38 H ASP 38 1.227 6.867 -9.041 272 HA ASP 38 HA ASP 38 -0.175 6.798 -10.740 273 1HB ASP 38 2HB ASP 38 1.610 7.934 -12.108 274 2HB ASP 38 1HB ASP 38 2.163 6.350 -12.626 275 H PHE 39 H PHE 39 1.554 4.309 -9.608 276 HA PHE 39 HA PHE 39 -0.304 2.434 -10.371 277 1HB PHE 39 2HB PHE 39 1.174 0.844 -11.678 278 2HB PHE 39 1HB PHE 39 0.586 2.222 -12.570 279 HD1 PHE 39 1HD PHE 39 2.163 3.898 -13.369 280 HD2 PHE 39 2HD PHE 39 3.502 0.639 -10.987 281 HE1 PHE 39 1HE PHE 39 4.488 4.406 -13.985 282 HE2 PHE 39 2HE PHE 39 5.830 1.144 -11.599 283 HZ PHE 39 HZ PHE 39 6.321 3.027 -13.098 284 H ARG 40 H ARG 40 1.607 3.258 -8.005 285 HA ARG 40 HA ARG 40 2.351 0.497 -7.410 286 1HB ARG 40 2HB ARG 40 3.853 2.936 -6.403 287 2HB ARG 40 1HB ARG 40 4.250 1.252 -6.128 288 1HG ARG 40 2HG ARG 40 4.506 0.978 -8.601 289 2HG ARG 40 1HG ARG 40 4.373 2.728 -8.741 290 1HD ARG 40 2HD ARG 40 6.683 2.188 -8.695 291 2HD ARG 40 1HD ARG 40 6.289 2.888 -7.123 292 HE ARG 40 HE ARG 40 5.999 0.082 -7.113 293 1HH1 ARG 40 1HH1 ARG 40 8.410 2.643 -6.807 294 2HH1 ARG 40 2HH1 ARG 40 9.596 1.651 -6.126 295 1HH2 ARG 40 1HH2 ARG 40 7.582 -1.287 -6.136 296 2HH2 ARG 40 2HH2 ARG 40 9.115 -0.668 -5.722 297 H CYS 41 H CYS 41 2.009 -0.277 -5.392 298 HA CYS 41 HA CYS 41 -0.130 1.029 -3.963 299 1HB CYS 41 2HB CYS 41 -0.422 -1.174 -4.702 300 2HB CYS 41 1HB CYS 41 1.025 -1.755 -3.883 301 H TRP 42 H TRP 42 0.251 2.120 -2.257 302 HA TRP 42 HA TRP 42 2.661 1.666 -0.663 303 1HB TRP 42 2HB TRP 42 1.001 4.115 -1.199 304 2HB TRP 42 1HB TRP 42 2.130 4.004 0.144 305 HD1 TRP 42 HD TRP 42 2.179 3.847 -3.736 306 HE1 TRP 42 1HE TRP 42 4.513 4.733 -4.505 307 HE3 TRP 42 3HE TRP 42 4.321 4.600 0.817 308 HZ2 TRP 42 2HZ TRP 42 6.846 5.607 -3.348 309 HZ3 TRP 42 3HZ TRP 42 6.543 5.480 0.945 310 HH2 TRP 42 HH TRP 42 7.844 5.992 -1.105 311 H CYS 43 H CYS 43 2.213 0.669 1.177 312 HA CYS 43 HA CYS 43 -0.477 0.773 2.291 313 1HB CYS 43 2HB CYS 43 1.900 -0.934 3.032 314 2HB CYS 43 1HB CYS 43 0.292 -1.049 3.730 315 H THR 44 H THR 44 -0.900 1.891 4.140 316 HA THR 44 HA THR 44 1.250 3.430 5.297 317 HB THR 44 HB THR 44 -1.712 3.456 5.933 318 HG1 THR 44 1HG THR 44 -0.319 4.356 3.696 319 1HG2 THR 44 1HG2 THR 44 0.452 5.572 6.117 320 2HG2 THR 44 2HG2 THR 44 -0.204 4.665 7.478 321 3HG2 THR 44 3HG2 THR 44 -1.234 5.783 6.586 322 H ARG 45 H ARG 45 1.911 2.870 7.371 323 HA ARG 45 HA ARG 45 0.337 0.889 8.831 324 1HB ARG 45 2HB ARG 45 2.304 -0.483 9.226 325 2HB ARG 45 1HB ARG 45 2.071 -0.301 7.495 326 1HG ARG 45 2HG ARG 45 3.785 1.598 7.648 327 2HG ARG 45 1HG ARG 45 4.160 0.954 9.245 328 1HD ARG 45 2HD ARG 45 5.707 -0.018 7.744 329 2HD ARG 45 1HD ARG 45 4.528 -1.276 8.121 330 HE ARG 45 HE ARG 45 3.574 -0.047 5.873 331 1HH1 ARG 45 1HH1 ARG 45 6.517 -1.809 6.740 332 2HH1 ARG 45 2HH1 ARG 45 6.887 -2.268 5.156 333 1HH2 ARG 45 1HH2 ARG 45 4.125 -0.733 3.585 334 2HH2 ARG 45 2HH2 ARG 45 5.516 -1.674 3.378 335 H ASN 46 H ASN 46 0.452 1.241 11.082 336 HA ASN 46 HA ASN 46 1.550 3.616 11.983 337 1HB ASN 46 2HB ASN 46 0.364 1.190 13.264 338 2HB ASN 46 1HB ASN 46 1.126 2.469 14.193 339 1HD2 ASN 46 1HD2 ASN 46 -1.649 1.538 12.326 340 2HD2 ASN 46 2HD2 ASN 46 -2.600 2.935 12.682 341 H CYS 47 H CYS 47 3.501 4.003 12.613 342 HA CYS 47 HA CYS 47 5.276 1.786 13.196 343 1HB CYS 47 2HB CYS 47 7.113 3.158 12.089 344 2HB CYS 47 1HB CYS 47 5.913 2.488 10.988 Start of MODEL 9 1 1H LYS 1 1HT LYS 1 5.599 10.904 13.160 2 2H LYS 1 2HT LYS 1 5.343 11.448 11.567 3 3H LYS 1 3HT LYS 1 6.173 10.022 11.850 4 HA LYS 1 HA LYS 1 4.308 8.935 12.660 5 1HB LYS 1 2HB LYS 1 2.101 9.982 12.437 6 2HB LYS 1 1HB LYS 1 3.055 10.629 13.742 7 1HG LYS 1 2HG LYS 1 3.589 12.571 12.233 8 2HG LYS 1 1HG LYS 1 2.530 11.848 11.024 9 1HD LYS 1 2HD LYS 1 0.665 11.970 12.643 10 2HD LYS 1 1HD LYS 1 1.735 12.796 13.773 11 1HE LYS 1 2HE LYS 1 0.413 14.438 12.609 12 2HE LYS 1 1HE LYS 1 2.086 14.563 12.075 13 1HZ LYS 1 1HZ LYS 1 0.564 14.676 10.209 14 2HZ LYS 1 2HZ LYS 1 -0.110 13.207 10.596 15 3HZ LYS 1 3HZ LYS 1 1.497 13.289 10.076 16 H THR 2 H THR 2 2.569 8.260 11.420 17 HA THR 2 HA THR 2 2.155 6.915 9.662 18 HB THR 2 HB THR 2 1.534 7.969 7.587 19 HG1 THR 2 1HG THR 2 2.823 10.073 8.681 20 1HG2 THR 2 1HG2 THR 2 -0.494 9.064 8.514 21 2HG2 THR 2 2HG2 THR 2 0.283 9.071 10.096 22 3HG2 THR 2 3HG2 THR 2 -0.106 7.538 9.309 23 H CYS 3 H CYS 3 3.214 5.582 8.749 24 HA CYS 3 HA CYS 3 5.630 6.352 7.284 25 1HB CYS 3 2HB CYS 3 5.164 3.894 9.003 26 2HB CYS 3 1HB CYS 3 6.579 4.188 7.998 27 H GLU 4 H GLU 4 5.694 5.604 5.239 28 HA GLU 4 HA GLU 4 3.633 3.673 4.491 29 1HB GLU 4 2HB GLU 4 2.985 6.093 4.104 30 2HB GLU 4 1HB GLU 4 4.297 6.161 2.960 31 1HG GLU 4 2HG GLU 4 3.275 4.647 1.519 32 2HG GLU 4 1HG GLU 4 2.072 4.189 2.732 33 H ASN 5 H ASN 5 4.406 2.132 3.285 34 HA ASN 5 HA ASN 5 6.785 2.501 1.640 35 1HB ASN 5 2HB ASN 5 6.496 0.411 3.830 36 2HB ASN 5 1HB ASN 5 7.610 0.236 2.489 37 1HD2 ASN 5 1HD2 ASN 5 8.512 2.977 2.428 38 2HD2 ASN 5 2HD2 ASN 5 9.445 3.240 3.834 39 H LEU 6 H LEU 6 7.089 0.607 0.265 40 HA LEU 6 HA LEU 6 4.783 0.199 -1.179 41 1HB LEU 6 2HB LEU 6 7.512 -0.906 -1.092 42 2HB LEU 6 1HB LEU 6 6.331 -1.473 -2.244 43 HG LEU 6 HG LEU 6 7.273 1.391 -2.019 44 1HD1 LEU 6 1HD1 LEU 6 8.050 -0.756 -3.993 45 2HD1 LEU 6 2HD1 LEU 6 9.088 -0.088 -2.734 46 3HD1 LEU 6 3HD1 LEU 6 8.542 0.936 -4.061 47 1HD2 LEU 6 1HD2 LEU 6 5.642 -0.044 -4.107 48 2HD2 LEU 6 2HD2 LEU 6 6.188 1.628 -4.192 49 3HD2 LEU 6 3HD2 LEU 6 5.035 1.150 -2.961 50 H ALA 7 H ALA 7 3.439 -1.509 -1.328 51 HA ALA 7 HA ALA 7 3.146 -3.364 0.748 52 1HB ALA 7 1HB ALA 7 1.308 -2.747 -0.697 53 2HB ALA 7 2HB ALA 7 1.605 -4.481 -0.863 54 3HB ALA 7 3HB ALA 7 2.176 -3.354 -2.099 55 H ASN 8 H ASN 8 4.267 -5.138 1.117 56 HA ASN 8 HA ASN 8 6.477 -5.765 -0.608 57 1HB ASN 8 2HB ASN 8 5.595 -7.032 1.980 58 2HB ASN 8 1HB ASN 8 7.004 -7.558 1.068 59 1HD2 ASN 8 1HD2 ASN 8 8.805 -6.196 0.965 60 2HD2 ASN 8 2HD2 ASN 8 9.009 -4.895 2.085 61 H THR 9 H THR 9 3.330 -6.989 -0.180 62 HA THR 9 HA THR 9 4.157 -9.299 -1.750 63 HB THR 9 HB THR 9 1.895 -10.312 -1.060 64 HG1 THR 9 1HG THR 9 1.997 -8.010 0.597 65 1HG2 THR 9 1HG2 THR 9 2.765 -11.048 1.122 66 2HG2 THR 9 2HG2 THR 9 3.971 -9.762 1.067 67 3HG2 THR 9 3HG2 THR 9 4.021 -11.068 -0.116 68 H TYR 10 H TYR 10 3.378 -6.494 -2.600 69 HA TYR 10 HA TYR 10 1.576 -7.355 -4.768 70 1HB TYR 10 2HB TYR 10 0.502 -5.672 -3.192 71 2HB TYR 10 1HB TYR 10 1.804 -4.584 -3.608 72 HD1 TYR 10 1HD TYR 10 -1.360 -6.000 -4.745 73 HD2 TYR 10 2HD TYR 10 1.954 -3.570 -5.855 74 HE1 TYR 10 1HE TYR 10 -2.650 -5.094 -6.643 75 HE2 TYR 10 2HE TYR 10 0.680 -2.668 -7.742 76 HH TYR 10 HH TYR 10 -1.229 -3.357 -9.160 77 H ARG 11 H ARG 11 2.635 -7.342 -6.635 78 HA ARG 11 HA ARG 11 4.896 -5.491 -6.939 79 1HB ARG 11 2HB ARG 11 6.013 -7.142 -8.290 80 2HB ARG 11 1HB ARG 11 5.550 -7.904 -6.778 81 1HG ARG 11 2HG ARG 11 3.560 -8.864 -7.970 82 2HG ARG 11 1HG ARG 11 4.230 -8.196 -9.454 83 1HD ARG 11 2HD ARG 11 4.869 -10.499 -9.299 84 2HD ARG 11 1HD ARG 11 6.296 -9.485 -9.066 85 HE ARG 11 HE ARG 11 4.808 -10.613 -6.808 86 1HH1 ARG 11 1HH1 ARG 11 7.887 -10.112 -8.488 87 2HH1 ARG 11 2HH1 ARG 11 8.829 -10.894 -7.319 88 1HH2 ARG 11 1HH2 ARG 11 6.116 -11.736 -5.193 89 2HH2 ARG 11 2HH2 ARG 11 7.795 -11.876 -5.415 90 H GLY 12 H GLY 12 5.355 -5.187 -9.366 91 1HA GLY 12 2HA GLY 12 4.693 -4.713 -11.499 92 2HA GLY 12 1HA GLY 12 3.144 -5.482 -11.164 93 HA PRO 13 HA PRO 13 2.403 -0.931 -11.344 94 1HB PRO 13 2HB PRO 13 0.241 -1.665 -13.182 95 2HB PRO 13 1HB PRO 13 1.564 -0.521 -13.428 96 1HG PRO 13 2HG PRO 13 1.468 -2.846 -14.759 97 2HG PRO 13 1HG PRO 13 2.999 -2.133 -14.211 98 1HD PRO 13 2HD PRO 13 1.379 -4.315 -12.926 99 2HD PRO 13 1HD PRO 13 3.130 -4.266 -13.241 100 H CYS 14 H CYS 14 0.895 0.048 -10.229 101 HA CYS 14 HA CYS 14 -0.989 -1.465 -8.702 102 1HB CYS 14 2HB CYS 14 0.207 0.280 -7.601 103 2HB CYS 14 1HB CYS 14 -0.264 1.448 -8.826 104 H PHE 15 H PHE 15 -3.061 -1.582 -9.047 105 HA PHE 15 HA PHE 15 -4.077 -0.518 -11.515 106 1HB PHE 15 2HB PHE 15 -5.484 -2.228 -9.461 107 2HB PHE 15 1HB PHE 15 -6.032 -1.899 -11.102 108 HD1 PHE 15 1HD PHE 15 -4.094 -2.424 -12.921 109 HD2 PHE 15 2HD PHE 15 -4.547 -4.286 -9.132 110 HE1 PHE 15 1HE PHE 15 -2.835 -4.375 -13.734 111 HE2 PHE 15 2HE PHE 15 -3.288 -6.240 -9.933 112 HZ PHE 15 HZ PHE 15 -2.430 -6.285 -12.234 113 H THR 16 H THR 16 -5.217 -0.424 -8.098 114 HA THR 16 HA THR 16 -5.911 2.361 -8.474 115 HB THR 16 HB THR 16 -8.196 1.798 -7.330 116 HG1 THR 16 1HG THR 16 -7.909 -0.575 -8.791 117 1HG2 THR 16 1HG2 THR 16 -7.774 1.250 -10.273 118 2HG2 THR 16 2HG2 THR 16 -8.083 2.825 -9.543 119 3HG2 THR 16 3HG2 THR 16 -9.332 1.586 -9.520 120 H THR 17 H THR 17 -6.507 3.404 -6.404 121 HA THR 17 HA THR 17 -5.001 2.564 -4.199 122 HB THR 17 HB THR 17 -7.263 4.563 -4.505 123 HG1 THR 17 1HG THR 17 -5.587 5.430 -5.421 124 1HG2 THR 17 1HG2 THR 17 -5.556 4.098 -2.034 125 2HG2 THR 17 2HG2 THR 17 -7.289 3.849 -2.168 126 3HG2 THR 17 3HG2 THR 17 -6.625 5.475 -2.288 127 H GLY 18 H GLY 18 -8.300 2.060 -5.241 128 1HA GLY 18 2HA GLY 18 -9.457 0.983 -2.946 129 2HA GLY 18 1HA GLY 18 -9.931 0.584 -4.588 130 H SER 19 H SER 19 -7.526 -0.717 -5.466 131 HA SER 19 HA SER 19 -7.973 -3.212 -4.134 132 1HB SER 19 2HB SER 19 -6.316 -4.018 -5.938 133 2HB SER 19 1HB SER 19 -7.896 -3.441 -6.463 134 HG SER 19 HG SER 19 -6.693 -2.355 -7.723 135 H CYS 20 H CYS 20 -5.493 -0.820 -4.385 136 HA CYS 20 HA CYS 20 -3.428 -2.234 -3.109 137 1HB CYS 20 2HB CYS 20 -3.062 -0.029 -4.301 138 2HB CYS 20 1HB CYS 20 -4.017 0.723 -3.085 139 H ASP 21 H ASP 21 -5.959 -0.101 -1.841 140 HA ASP 21 HA ASP 21 -5.304 -0.225 0.894 141 1HB ASP 21 2HB ASP 21 -6.749 1.455 -0.068 142 2HB ASP 21 1HB ASP 21 -7.983 0.245 -0.463 143 H ASP 22 H ASP 22 -7.525 -2.118 -1.077 144 HA ASP 22 HA ASP 22 -8.585 -3.903 0.781 145 1HB ASP 22 2HB ASP 22 -9.388 -3.848 -1.499 146 2HB ASP 22 1HB ASP 22 -7.804 -4.263 -2.121 147 H HIS 23 H HIS 23 -5.720 -4.237 -1.207 148 HA HIS 23 HA HIS 23 -4.776 -6.664 -0.209 149 1HB HIS 23 2HB HIS 23 -3.988 -5.820 -2.315 150 2HB HIS 23 1HB HIS 23 -3.374 -4.359 -1.563 151 HD1 HIS 23 1HD HIS 23 -2.581 -8.019 -1.966 152 HD2 HIS 23 2HD HIS 23 -0.852 -4.552 -0.475 153 HE1 HIS 23 1HE HIS 23 -0.216 -8.605 -1.498 154 HE2 HIS 23 2HE HIS 23 0.684 -6.567 -0.278 155 H CYS 24 H CYS 24 -3.825 -3.355 0.685 156 HA CYS 24 HA CYS 24 -1.896 -4.181 2.537 157 1HB CYS 24 2HB CYS 24 -3.336 -1.554 2.254 158 2HB CYS 24 1HB CYS 24 -1.979 -1.805 3.340 159 H LYS 25 H LYS 25 -5.424 -3.543 3.003 160 HA LYS 25 HA LYS 25 -5.150 -3.640 5.794 161 1HB LYS 25 2HB LYS 25 -7.363 -3.586 3.826 162 2HB LYS 25 1HB LYS 25 -7.657 -3.818 5.533 163 1HG LYS 25 2HG LYS 25 -6.620 -1.665 6.011 164 2HG LYS 25 1HG LYS 25 -6.235 -1.472 4.298 165 1HD LYS 25 2HD LYS 25 -8.603 -1.506 3.754 166 2HD LYS 25 1HD LYS 25 -8.998 -1.706 5.465 167 1HE LYS 25 2HE LYS 25 -8.022 0.450 5.967 168 2HE LYS 25 1HE LYS 25 -7.479 0.605 4.306 169 1HZ LYS 25 1HZ LYS 25 -9.501 1.856 4.759 170 2HZ LYS 25 2HZ LYS 25 -10.330 0.427 5.089 171 3HZ LYS 25 3HZ LYS 25 -9.654 0.704 3.537 172 H ASN 26 H ASN 26 -6.390 -5.888 3.276 173 HA ASN 26 HA ASN 26 -7.095 -7.784 5.269 174 1HB ASN 26 2HB ASN 26 -8.474 -7.678 3.338 175 2HB ASN 26 1HB ASN 26 -7.099 -7.876 2.262 176 1HD2 ASN 26 1HD2 ASN 26 -6.394 -9.889 1.789 177 2HD2 ASN 26 2HD2 ASN 26 -7.151 -11.326 2.348 178 H LYS 27 H LYS 27 -4.464 -7.599 2.894 179 HA LYS 27 HA LYS 27 -3.462 -10.132 3.890 180 1HB LYS 27 2HB LYS 27 -3.440 -9.968 1.501 181 2HB LYS 27 1HB LYS 27 -2.636 -8.413 1.556 182 1HG LYS 27 2HG LYS 27 -1.121 -10.175 0.806 183 2HG LYS 27 1HG LYS 27 -0.578 -9.471 2.321 184 1HD LYS 27 2HD LYS 27 -0.275 -11.874 2.390 185 2HD LYS 27 1HD LYS 27 -1.536 -11.414 3.524 186 1HE LYS 27 2HE LYS 27 -3.242 -12.123 1.929 187 2HE LYS 27 1HE LYS 27 -1.996 -12.531 0.753 188 1HZ LYS 27 1HZ LYS 27 -1.168 -14.227 2.266 189 2HZ LYS 27 2HZ LYS 27 -2.822 -14.473 1.992 190 3HZ LYS 27 3HZ LYS 27 -2.313 -13.792 3.423 191 H GLU 28 H GLU 28 -2.299 -6.756 3.682 192 HA GLU 28 HA GLU 28 -0.005 -7.694 5.184 193 1HB GLU 28 2HB GLU 28 -0.357 -5.013 3.834 194 2HB GLU 28 1HB GLU 28 1.122 -5.558 4.630 195 1HG GLU 28 2HG GLU 28 0.947 -7.600 3.057 196 2HG GLU 28 1HG GLU 28 -0.187 -6.640 2.164 197 H HIS 29 H HIS 29 -2.888 -6.443 5.844 198 HA HIS 29 HA HIS 29 -3.950 -5.779 7.684 199 1HB HIS 29 2HB HIS 29 -1.544 -7.024 9.023 200 2HB HIS 29 1HB HIS 29 -2.970 -6.488 9.903 201 HD1 HIS 29 1HD HIS 29 -1.625 -9.321 8.006 202 HD2 HIS 29 2HD HIS 29 -5.351 -7.978 9.214 203 HE1 HIS 29 1HE HIS 29 -3.165 -11.287 7.751 204 HE2 HIS 29 2HE HIS 29 -5.352 -10.508 8.669 205 H LEU 30 H LEU 30 -2.371 -3.785 6.446 206 HA LEU 30 HA LEU 30 -1.474 -2.213 8.732 207 1HB LEU 30 2HB LEU 30 -0.941 -1.786 5.796 208 2HB LEU 30 1HB LEU 30 -0.350 -0.749 7.077 209 HG LEU 30 HG LEU 30 0.420 -3.637 6.631 210 1HD1 LEU 30 1HD1 LEU 30 1.998 -1.098 6.351 211 2HD1 LEU 30 2HD1 LEU 30 1.505 -2.199 5.059 212 3HD1 LEU 30 3HD1 LEU 30 2.663 -2.727 6.272 213 1HD2 LEU 30 1HD2 LEU 30 2.009 -3.310 8.478 214 2HD2 LEU 30 2HD2 LEU 30 0.337 -3.215 9.006 215 3HD2 LEU 30 3HD2 LEU 30 1.284 -1.736 8.812 216 H ARG 31 H ARG 31 -1.737 0.340 7.787 217 HA ARG 31 HA ARG 31 -4.299 0.943 8.768 218 1HB ARG 31 2HB ARG 31 -2.163 2.435 8.720 219 2HB ARG 31 1HB ARG 31 -2.599 2.741 7.103 220 1HG ARG 31 2HG ARG 31 -3.404 4.586 8.317 221 2HG ARG 31 1HG ARG 31 -4.796 3.651 7.787 222 1HD ARG 31 2HD ARG 31 -3.554 3.581 10.523 223 2HD ARG 31 1HD ARG 31 -5.004 4.484 10.128 224 HE ARG 31 HE ARG 31 -4.732 1.568 10.283 225 1HH1 ARG 31 1HH1 ARG 31 -6.883 4.396 10.078 226 2HH1 ARG 31 2HH1 ARG 31 -8.279 3.499 10.427 227 1HH2 ARG 31 1HH2 ARG 31 -6.660 0.383 10.742 228 2HH2 ARG 31 2HH2 ARG 31 -8.154 1.169 10.841 229 H SER 32 H SER 32 -2.971 1.495 5.547 230 HA SER 32 HA SER 32 -5.456 0.971 4.177 231 1HB SER 32 2HB SER 32 -4.251 3.741 4.021 232 2HB SER 32 1HB SER 32 -5.773 3.170 3.360 233 HG SER 32 HG SER 32 -6.110 2.750 5.850 234 H GLY 33 H GLY 33 -4.921 1.746 1.832 235 1HA GLY 33 2HA GLY 33 -2.073 1.589 1.303 236 2HA GLY 33 1HA GLY 33 -3.116 0.399 0.528 237 H ARG 34 H ARG 34 -1.514 2.715 -0.478 238 HA ARG 34 HA ARG 34 -3.666 3.856 -2.079 239 1HB ARG 34 2HB ARG 34 -1.661 5.455 -0.540 240 2HB ARG 34 1HB ARG 34 -2.376 6.073 -2.025 241 1HG ARG 34 2HG ARG 34 -4.521 5.924 -1.137 242 2HG ARG 34 1HG ARG 34 -3.963 5.154 0.355 243 1HD ARG 34 2HD ARG 34 -3.276 7.954 -0.583 244 2HD ARG 34 1HD ARG 34 -4.398 7.558 0.714 245 HE ARG 34 HE ARG 34 -1.604 6.701 0.901 246 1HH1 ARG 34 1HH1 ARG 34 -4.194 8.763 2.122 247 2HH1 ARG 34 2HH1 ARG 34 -3.379 9.200 3.539 248 1HH2 ARG 34 1HH2 ARG 34 -0.488 7.266 2.792 249 2HH2 ARG 34 2HH2 ARG 34 -1.166 8.345 3.944 250 H CYS 35 H CYS 35 -3.329 4.597 -3.903 251 HA CYS 35 HA CYS 35 -1.058 3.336 -5.235 252 1HB CYS 35 2HB CYS 35 -3.507 2.928 -5.783 253 2HB CYS 35 1HB CYS 35 -3.512 4.542 -6.476 254 H ARG 36 H ARG 36 0.565 4.653 -5.728 255 HA ARG 36 HA ARG 36 0.053 7.532 -5.745 256 1HB ARG 36 2HB ARG 36 2.663 6.068 -5.399 257 2HB ARG 36 1HB ARG 36 2.445 7.807 -5.303 258 1HG ARG 36 2HG ARG 36 0.906 7.446 -3.377 259 2HG ARG 36 1HG ARG 36 1.307 5.737 -3.452 260 1HD ARG 36 2HD ARG 36 2.630 6.865 -1.773 261 2HD ARG 36 1HD ARG 36 3.672 6.243 -3.036 262 HE ARG 36 HE ARG 36 2.842 9.040 -2.695 263 1HH1 ARG 36 1HH1 ARG 36 5.081 6.800 -4.282 264 2HH1 ARG 36 2HH1 ARG 36 6.357 7.917 -4.326 265 1HH2 ARG 36 1HH2 ARG 36 4.607 10.581 -2.828 266 2HH2 ARG 36 2HH2 ARG 36 6.098 10.091 -3.522 267 H ASP 37 H ASP 37 2.219 8.495 -7.075 268 HA ASP 37 HA ASP 37 1.312 8.150 -9.807 269 1HB ASP 37 2HB ASP 37 3.593 9.863 -8.793 270 2HB ASP 37 1HB ASP 37 2.961 9.880 -10.429 271 H ASP 38 H ASP 38 3.736 6.776 -7.930 272 HA ASP 38 HA ASP 38 5.417 5.955 -10.118 273 1HB ASP 38 2HB ASP 38 6.578 4.591 -8.395 274 2HB ASP 38 1HB ASP 38 6.439 6.282 -7.929 275 H PHE 39 H PHE 39 2.465 5.164 -9.090 276 HA PHE 39 HA PHE 39 1.045 3.508 -9.222 277 1HB PHE 39 2HB PHE 39 2.530 3.060 -11.800 278 2HB PHE 39 1HB PHE 39 1.136 2.105 -11.343 279 HD1 PHE 39 1HD PHE 39 2.271 5.369 -12.434 280 HD2 PHE 39 2HD PHE 39 -1.069 3.091 -11.153 281 HE1 PHE 39 1HE PHE 39 0.763 7.110 -13.294 282 HE2 PHE 39 2HE PHE 39 -2.593 4.823 -12.006 283 HZ PHE 39 HZ PHE 39 -1.677 6.839 -13.078 284 H ARG 40 H ARG 40 2.633 2.857 -7.367 285 HA ARG 40 HA ARG 40 2.416 -0.018 -7.575 286 1HB ARG 40 2HB ARG 40 4.635 1.495 -6.176 287 2HB ARG 40 1HB ARG 40 4.319 -0.216 -5.954 288 1HG ARG 40 2HG ARG 40 4.701 -0.505 -8.412 289 2HG ARG 40 1HG ARG 40 5.248 1.172 -8.447 290 1HD ARG 40 2HD ARG 40 7.143 -0.328 -8.255 291 2HD ARG 40 1HD ARG 40 6.968 0.623 -6.780 292 HE ARG 40 HE ARG 40 5.585 -1.637 -6.228 293 1HH1 ARG 40 1HH1 ARG 40 8.891 -1.036 -7.316 294 2HH1 ARG 40 2HH1 ARG 40 9.537 -2.447 -6.612 295 1HH2 ARG 40 1HH2 ARG 40 6.474 -3.603 -5.247 296 2HH2 ARG 40 2HH2 ARG 40 8.129 -3.919 -5.408 297 H CYS 41 H CYS 41 2.039 -0.965 -5.401 298 HA CYS 41 HA CYS 41 0.118 0.681 -4.055 299 1HB CYS 41 2HB CYS 41 -0.434 -1.577 -4.610 300 2HB CYS 41 1HB CYS 41 0.944 -2.203 -3.706 301 H TRP 42 H TRP 42 0.577 1.813 -2.367 302 HA TRP 42 HA TRP 42 2.919 1.167 -0.736 303 1HB TRP 42 2HB TRP 42 1.435 3.741 -1.260 304 2HB TRP 42 1HB TRP 42 2.600 3.548 0.036 305 HD1 TRP 42 HD TRP 42 2.498 3.327 -3.837 306 HE1 TRP 42 1HE TRP 42 4.776 4.106 -4.727 307 HE3 TRP 42 3HE TRP 42 4.874 4.036 0.632 308 HZ2 TRP 42 2HZ TRP 42 7.260 4.926 -3.640 309 HZ3 TRP 42 3HZ TRP 42 7.142 4.819 0.644 310 HH2 TRP 42 HH TRP 42 8.358 5.260 -1.441 311 H CYS 43 H CYS 43 2.422 0.445 1.238 312 HA CYS 43 HA CYS 43 -0.336 0.642 2.138 313 1HB CYS 43 2HB CYS 43 1.983 -0.974 3.218 314 2HB CYS 43 1HB CYS 43 0.335 -1.003 3.837 315 H THR 44 H THR 44 -0.873 1.960 3.783 316 HA THR 44 HA THR 44 1.145 3.732 4.824 317 HB THR 44 HB THR 44 -1.859 3.643 5.206 318 HG1 THR 44 1HG THR 44 -0.389 5.061 3.178 319 1HG2 THR 44 1HG2 THR 44 0.145 5.896 5.533 320 2HG2 THR 44 2HG2 THR 44 -0.717 5.054 6.831 321 3HG2 THR 44 3HG2 THR 44 -1.606 6.059 5.696 322 H ARG 45 H ARG 45 1.859 3.381 6.939 323 HA ARG 45 HA ARG 45 0.004 1.962 8.630 324 1HB ARG 45 2HB ARG 45 1.813 0.715 9.758 325 2HB ARG 45 1HB ARG 45 1.639 0.281 8.073 326 1HG ARG 45 2HG ARG 45 3.623 1.645 7.542 327 2HG ARG 45 1HG ARG 45 3.794 2.019 9.262 328 1HD ARG 45 2HD ARG 45 4.031 -0.354 9.776 329 2HD ARG 45 1HD ARG 45 3.814 -0.756 8.078 330 HE ARG 45 HE ARG 45 6.023 1.018 8.640 331 1HH1 ARG 45 1HH1 ARG 45 5.052 -2.382 8.355 332 2HH1 ARG 45 2HH1 ARG 45 6.616 -2.914 7.960 333 1HH2 ARG 45 1HH2 ARG 45 8.149 0.250 8.135 334 2HH2 ARG 45 2HH2 ARG 45 8.405 -1.413 7.841 335 H ASN 46 H ASN 46 -0.093 2.573 10.751 336 HA ASN 46 HA ASN 46 0.760 5.222 11.214 337 1HB ASN 46 2HB ASN 46 -0.979 3.198 12.514 338 2HB ASN 46 1HB ASN 46 -0.318 4.508 13.475 339 1HD2 ASN 46 1HD2 ASN 46 -1.060 5.080 10.110 340 2HD2 ASN 46 2HD2 ASN 46 -2.474 6.032 10.372 341 H CYS 47 H CYS 47 2.425 5.806 12.346 342 HA CYS 47 HA CYS 47 3.783 3.926 14.050 343 1HB CYS 47 2HB CYS 47 5.977 4.950 13.184 344 2HB CYS 47 1HB CYS 47 5.159 3.843 12.086 Start of MODEL 10 1 1H LYS 1 1HT LYS 1 3.952 6.454 14.878 2 2H LYS 1 2HT LYS 1 2.359 6.928 14.994 3 3H LYS 1 3HT LYS 1 3.545 7.904 15.701 4 HA LYS 1 HA LYS 1 2.740 8.862 13.636 5 1HB LYS 1 2HB LYS 1 5.386 7.487 13.000 6 2HB LYS 1 1HB LYS 1 4.773 8.945 12.255 7 1HG LYS 1 2HG LYS 1 6.430 9.736 13.684 8 2HG LYS 1 1HG LYS 1 4.962 9.970 14.632 9 1HD LYS 1 2HD LYS 1 5.424 7.756 15.716 10 2HD LYS 1 1HD LYS 1 6.951 7.732 14.850 11 1HE LYS 1 2HE LYS 1 7.701 9.725 15.985 12 2HE LYS 1 1HE LYS 1 6.138 9.889 16.791 13 1HZ LYS 1 1HZ LYS 1 8.083 7.674 17.163 14 2HZ LYS 1 2HZ LYS 1 6.557 7.728 17.851 15 3HZ LYS 1 3HZ LYS 1 7.714 8.872 18.294 16 H THR 2 H THR 2 3.204 8.325 11.109 17 HA THR 2 HA THR 2 2.238 5.609 10.695 18 HB THR 2 HB THR 2 1.209 6.521 8.557 19 HG1 THR 2 1HG THR 2 2.286 8.731 9.308 20 1HG2 THR 2 1HG2 THR 2 0.023 7.286 11.223 21 2HG2 THR 2 2HG2 THR 2 -0.153 5.739 10.397 22 3HG2 THR 2 3HG2 THR 2 -0.879 7.190 9.712 23 H CYS 3 H CYS 3 3.274 4.436 9.319 24 HA CYS 3 HA CYS 3 5.499 5.670 7.851 25 1HB CYS 3 2HB CYS 3 5.412 2.975 9.239 26 2HB CYS 3 1HB CYS 3 6.734 3.571 8.242 27 H GLU 4 H GLU 4 5.536 5.196 5.709 28 HA GLU 4 HA GLU 4 3.516 3.272 4.803 29 1HB GLU 4 2HB GLU 4 3.076 5.751 4.402 30 2HB GLU 4 1HB GLU 4 4.457 5.707 3.340 31 1HG GLU 4 2HG GLU 4 3.436 4.320 1.828 32 2HG GLU 4 1HG GLU 4 2.129 3.885 2.932 33 H ASN 5 H ASN 5 4.105 1.811 3.340 34 HA ASN 5 HA ASN 5 6.739 1.951 2.060 35 1HB ASN 5 2HB ASN 5 5.777 -0.404 3.711 36 2HB ASN 5 1HB ASN 5 7.175 -0.418 2.656 37 1HD2 ASN 5 1HD2 ASN 5 9.007 0.715 3.262 38 2HD2 ASN 5 2HD2 ASN 5 9.262 1.190 4.902 39 H LEU 6 H LEU 6 6.937 0.163 0.508 40 HA LEU 6 HA LEU 6 4.652 0.212 -1.139 41 1HB LEU 6 2HB LEU 6 7.337 -0.973 -1.139 42 2HB LEU 6 1HB LEU 6 6.189 -1.320 -2.407 43 HG LEU 6 HG LEU 6 7.214 1.441 -1.709 44 1HD1 LEU 6 1HD1 LEU 6 9.003 -0.048 -2.552 45 2HD1 LEU 6 2HD1 LEU 6 8.617 1.247 -3.674 46 3HD1 LEU 6 3HD1 LEU 6 8.020 -0.386 -3.981 47 1HD2 LEU 6 1HD2 LEU 6 6.248 2.044 -3.864 48 2HD2 LEU 6 2HD2 LEU 6 5.019 1.391 -2.787 49 3HD2 LEU 6 3HD2 LEU 6 5.685 0.387 -4.076 50 H ALA 7 H ALA 7 3.311 -1.464 -1.589 51 HA ALA 7 HA ALA 7 2.899 -3.522 0.262 52 1HB ALA 7 1HB ALA 7 1.324 -4.392 -1.411 53 2HB ALA 7 2HB ALA 7 1.974 -3.245 -2.590 54 3HB ALA 7 3HB ALA 7 1.131 -2.658 -1.160 55 H ASN 8 H ASN 8 3.544 -5.588 0.297 56 HA ASN 8 HA ASN 8 5.989 -6.181 -1.130 57 1HB ASN 8 2HB ASN 8 4.458 -7.841 0.880 58 2HB ASN 8 1HB ASN 8 6.077 -8.165 0.288 59 1HD2 ASN 8 1HD2 ASN 8 4.113 -6.197 2.317 60 2HD2 ASN 8 2HD2 ASN 8 5.375 -5.460 3.223 61 H THR 9 H THR 9 2.704 -7.392 -0.872 62 HA THR 9 HA THR 9 3.348 -9.608 -2.600 63 HB THR 9 HB THR 9 0.692 -8.938 -1.308 64 HG1 THR 9 1HG THR 9 3.072 -9.837 -0.313 65 1HG2 THR 9 1HG2 THR 9 0.593 -10.667 -3.074 66 2HG2 THR 9 2HG2 THR 9 0.284 -11.362 -1.483 67 3HG2 THR 9 3HG2 THR 9 1.861 -11.572 -2.248 68 H TYR 10 H TYR 10 2.376 -6.613 -2.969 69 HA TYR 10 HA TYR 10 0.602 -7.056 -5.272 70 1HB TYR 10 2HB TYR 10 0.153 -5.203 -3.622 71 2HB TYR 10 1HB TYR 10 1.587 -4.391 -4.243 72 HD1 TYR 10 1HD TYR 10 1.558 -3.425 -6.529 73 HD2 TYR 10 2HD TYR 10 -1.903 -5.225 -4.829 74 HE1 TYR 10 1HE TYR 10 0.158 -2.339 -8.235 75 HE2 TYR 10 2HE TYR 10 -3.310 -4.147 -6.535 76 HH TYR 10 HH TYR 10 -2.017 -2.683 -9.297 77 H ARG 11 H ARG 11 1.672 -7.713 -6.953 78 HA ARG 11 HA ARG 11 4.221 -6.411 -7.633 79 1HB ARG 11 2HB ARG 11 3.906 -9.022 -7.264 80 2HB ARG 11 1HB ARG 11 3.249 -8.966 -8.886 81 1HG ARG 11 2HG ARG 11 6.039 -8.133 -8.073 82 2HG ARG 11 1HG ARG 11 5.599 -9.643 -8.857 83 1HD ARG 11 2HD ARG 11 4.847 -8.353 -10.827 84 2HD ARG 11 1HD ARG 11 5.346 -6.865 -10.017 85 HE ARG 11 HE ARG 11 7.292 -9.001 -10.484 86 1HH1 ARG 11 1HH1 ARG 11 6.296 -5.642 -11.098 87 2HH1 ARG 11 2HH1 ARG 11 7.685 -5.262 -11.996 88 1HH2 ARG 11 1HH2 ARG 11 9.188 -8.434 -11.725 89 2HH2 ARG 11 2HH2 ARG 11 9.348 -6.852 -12.356 90 H GLY 12 H GLY 12 4.091 -5.001 -9.294 91 1HA GLY 12 2HA GLY 12 3.498 -4.810 -11.650 92 2HA GLY 12 1HA GLY 12 1.888 -5.356 -11.193 93 HA PRO 13 HA PRO 13 2.016 -0.743 -10.942 94 1HB PRO 13 2HB PRO 13 0.106 -0.573 -13.081 95 2HB PRO 13 1HB PRO 13 1.770 0.005 -13.052 96 1HG PRO 13 2HG PRO 13 0.894 -2.066 -14.627 97 2HG PRO 13 1HG PRO 13 2.570 -1.854 -14.089 98 1HD PRO 13 2HD PRO 13 0.432 -3.634 -12.973 99 2HD PRO 13 1HD PRO 13 2.160 -3.972 -13.220 100 H CYS 14 H CYS 14 0.504 0.535 -10.123 101 HA CYS 14 HA CYS 14 -2.041 -0.626 -9.291 102 1HB CYS 14 2HB CYS 14 -0.627 0.043 -7.442 103 2HB CYS 14 1HB CYS 14 -0.329 1.609 -8.187 104 H PHE 15 H PHE 15 -3.897 0.487 -9.807 105 HA PHE 15 HA PHE 15 -3.495 2.823 -11.533 106 1HB PHE 15 2HB PHE 15 -5.699 0.753 -11.710 107 2HB PHE 15 1HB PHE 15 -5.517 2.153 -12.752 108 HD1 PHE 15 1HD PHE 15 -3.553 2.279 -14.295 109 HD2 PHE 15 2HD PHE 15 -4.508 -1.251 -12.108 110 HE1 PHE 15 1HE PHE 15 -2.156 0.953 -15.826 111 HE2 PHE 15 2HE PHE 15 -3.111 -2.580 -13.635 112 HZ PHE 15 HZ PHE 15 -1.932 -1.479 -15.495 113 H THR 16 H THR 16 -5.079 1.567 -8.718 114 HA THR 16 HA THR 16 -6.245 4.140 -8.204 115 HB THR 16 HB THR 16 -8.003 1.674 -8.475 116 HG1 THR 16 1HG THR 16 -7.214 3.578 -10.136 117 1HG2 THR 16 1HG2 THR 16 -9.864 3.243 -8.017 118 2HG2 THR 16 2HG2 THR 16 -8.683 4.506 -7.651 119 3HG2 THR 16 3HG2 THR 16 -8.782 3.061 -6.644 120 H THR 17 H THR 17 -6.452 4.562 -6.041 121 HA THR 17 HA THR 17 -5.013 3.236 -4.130 122 HB THR 17 HB THR 17 -7.190 5.294 -3.980 123 HG1 THR 17 1HG THR 17 -5.587 6.601 -4.184 124 1HG2 THR 17 1HG2 THR 17 -5.564 4.243 -1.632 125 2HG2 THR 17 2HG2 THR 17 -7.311 4.155 -1.822 126 3HG2 THR 17 3HG2 THR 17 -6.531 5.717 -1.615 127 H GLY 18 H GLY 18 -8.468 2.867 -4.791 128 1HA GLY 18 2HA GLY 18 -9.222 1.365 -2.586 129 2HA GLY 18 1HA GLY 18 -9.958 1.240 -4.174 130 H SER 19 H SER 19 -7.493 0.280 -5.465 131 HA SER 19 HA SER 19 -7.902 -2.511 -4.938 132 1HB SER 19 2HB SER 19 -5.798 -1.212 -6.677 133 2HB SER 19 1HB SER 19 -6.457 -2.842 -6.828 134 HG SER 19 HG SER 19 -8.512 -1.797 -7.205 135 H CYS 20 H CYS 20 -5.708 -0.049 -4.065 136 HA CYS 20 HA CYS 20 -3.588 -1.793 -3.206 137 1HB CYS 20 2HB CYS 20 -3.111 0.501 -4.146 138 2HB CYS 20 1HB CYS 20 -4.013 1.175 -2.841 139 H ASP 21 H ASP 21 -5.999 0.353 -1.742 140 HA ASP 21 HA ASP 21 -5.296 0.049 0.942 141 1HB ASP 21 2HB ASP 21 -6.660 1.832 0.254 142 2HB ASP 21 1HB ASP 21 -7.967 0.761 -0.309 143 H ASP 22 H ASP 22 -7.797 -1.690 -0.894 144 HA ASP 22 HA ASP 22 -8.646 -3.315 1.240 145 1HB ASP 22 2HB ASP 22 -9.847 -3.134 -0.991 146 2HB ASP 22 1HB ASP 22 -8.567 -4.105 -1.673 147 H HIS 23 H HIS 23 -6.155 -3.703 -1.140 148 HA HIS 23 HA HIS 23 -5.316 -6.315 -0.525 149 1HB HIS 23 2HB HIS 23 -4.665 -5.353 -2.608 150 2HB HIS 23 1HB HIS 23 -3.915 -3.975 -1.822 151 HD1 HIS 23 1HD HIS 23 -3.350 -7.588 -2.626 152 HD2 HIS 23 2HD HIS 23 -1.314 -4.379 -0.985 153 HE1 HIS 23 1HE HIS 23 -0.992 -8.335 -2.447 154 HE2 HIS 23 2HE HIS 23 0.122 -6.459 -1.118 155 H CYS 24 H CYS 24 -4.053 -3.194 0.559 156 HA CYS 24 HA CYS 24 -2.029 -4.237 2.149 157 1HB CYS 24 2HB CYS 24 -3.478 -1.603 2.262 158 2HB CYS 24 1HB CYS 24 -2.037 -1.938 3.204 159 H LYS 25 H LYS 25 -5.466 -3.568 2.901 160 HA LYS 25 HA LYS 25 -5.154 -3.954 5.664 161 1HB LYS 25 2HB LYS 25 -7.395 -3.771 3.719 162 2HB LYS 25 1HB LYS 25 -7.648 -4.087 5.416 163 1HG LYS 25 2HG LYS 25 -6.626 -1.958 5.985 164 2HG LYS 25 1HG LYS 25 -6.247 -1.690 4.284 165 1HD LYS 25 2HD LYS 25 -8.580 -1.620 3.713 166 2HD LYS 25 1HD LYS 25 -9.030 -2.038 5.367 167 1HE LYS 25 2HE LYS 25 -8.233 0.029 6.193 168 2HE LYS 25 1HE LYS 25 -7.461 0.417 4.655 169 1HZ LYS 25 1HZ LYS 25 -9.546 1.592 4.976 170 2HZ LYS 25 2HZ LYS 25 -10.399 0.119 5.000 171 3HZ LYS 25 3HZ LYS 25 -9.516 0.593 3.627 172 H ASN 26 H ASN 26 -6.665 -5.843 3.018 173 HA ASN 26 HA ASN 26 -7.464 -7.990 4.605 174 1HB ASN 26 2HB ASN 26 -8.545 -7.375 2.551 175 2HB ASN 26 1HB ASN 26 -7.064 -7.636 1.648 176 1HD2 ASN 26 1HD2 ASN 26 -7.813 -9.140 0.314 177 2HD2 ASN 26 2HD2 ASN 26 -8.315 -10.703 0.824 178 H LYS 27 H LYS 27 -4.784 -7.648 2.271 179 HA LYS 27 HA LYS 27 -3.985 -10.353 2.944 180 1HB LYS 27 2HB LYS 27 -4.277 -9.548 0.568 181 2HB LYS 27 1HB LYS 27 -2.841 -8.579 0.804 182 1HG LYS 27 2HG LYS 27 -2.390 -10.686 -0.378 183 2HG LYS 27 1HG LYS 27 -1.505 -10.568 1.147 184 1HD LYS 27 2HD LYS 27 -3.001 -12.054 2.239 185 2HD LYS 27 1HD LYS 27 -4.155 -11.983 0.912 186 1HE LYS 27 2HE LYS 27 -1.375 -13.112 0.685 187 2HE LYS 27 1HE LYS 27 -2.806 -14.077 1.041 188 1HZ LYS 27 1HZ LYS 27 -2.309 -14.173 -1.280 189 2HZ LYS 27 2HZ LYS 27 -2.337 -12.508 -1.460 190 3HZ LYS 27 3HZ LYS 27 -3.750 -13.345 -1.087 191 H GLU 28 H GLU 28 -2.658 -7.055 3.001 192 HA GLU 28 HA GLU 28 -0.313 -8.283 4.110 193 1HB GLU 28 2HB GLU 28 -0.547 -5.462 3.084 194 2HB GLU 28 1HB GLU 28 0.940 -6.229 3.649 195 1HG GLU 28 2HG GLU 28 0.238 -8.102 1.963 196 2HG GLU 28 1HG GLU 28 -0.671 -6.817 1.232 197 H HIS 29 H HIS 29 -2.990 -6.856 5.205 198 HA HIS 29 HA HIS 29 -3.799 -6.519 7.248 199 1HB HIS 29 2HB HIS 29 -1.284 -7.942 8.107 200 2HB HIS 29 1HB HIS 29 -2.613 -7.547 9.192 201 HD1 HIS 29 1HD HIS 29 -1.430 -10.223 7.053 202 HD2 HIS 29 2HD HIS 29 -5.143 -8.770 8.225 203 HE1 HIS 29 1HE HIS 29 -3.031 -12.046 6.577 204 HE2 HIS 29 2HE HIS 29 -5.229 -11.232 7.508 205 H LEU 30 H LEU 30 -2.232 -4.413 6.101 206 HA LEU 30 HA LEU 30 -1.152 -3.123 8.486 207 1HB LEU 30 2HB LEU 30 -0.824 -2.421 5.572 208 2HB LEU 30 1HB LEU 30 -0.148 -1.487 6.890 209 HG LEU 30 HG LEU 30 0.593 -4.328 6.168 210 1HD1 LEU 30 1HD1 LEU 30 2.142 -1.760 5.932 211 2HD1 LEU 30 2HD1 LEU 30 1.509 -2.745 4.606 212 3HD1 LEU 30 3HD1 LEU 30 2.785 -3.375 5.642 213 1HD2 LEU 30 1HD2 LEU 30 0.726 -4.031 8.577 214 2HD2 LEU 30 2HD2 LEU 30 1.653 -2.547 8.362 215 3HD2 LEU 30 3HD2 LEU 30 2.348 -4.093 7.886 216 H ARG 31 H ARG 31 -1.458 -0.456 7.750 217 HA ARG 31 HA ARG 31 -3.996 0.004 8.902 218 1HB ARG 31 2HB ARG 31 -1.961 1.520 9.136 219 2HB ARG 31 1HB ARG 31 -2.186 1.963 7.511 220 1HG ARG 31 2HG ARG 31 -4.318 2.972 7.877 221 2HG ARG 31 1HG ARG 31 -4.333 2.407 9.544 222 1HD ARG 31 2HD ARG 31 -2.537 3.876 10.117 223 2HD ARG 31 1HD ARG 31 -2.305 4.334 8.426 224 HE ARG 31 HE ARG 31 -4.723 5.114 8.639 225 1HH1 ARG 31 1HH1 ARG 31 -2.481 5.327 11.380 226 2HH1 ARG 31 2HH1 ARG 31 -3.076 6.818 11.943 227 1HH2 ARG 31 1HH2 ARG 31 -5.610 7.091 9.464 228 2HH2 ARG 31 2HH2 ARG 31 -4.918 7.855 10.819 229 H SER 32 H SER 32 -2.814 1.083 5.746 230 HA SER 32 HA SER 32 -5.330 0.642 4.373 231 1HB SER 32 2HB SER 32 -4.216 3.455 4.618 232 2HB SER 32 1HB SER 32 -5.720 2.943 3.877 233 HG SER 32 HG SER 32 -6.022 2.097 6.243 234 H GLY 33 H GLY 33 -4.895 1.790 2.163 235 1HA GLY 33 2HA GLY 33 -2.075 1.604 1.475 236 2HA GLY 33 1HA GLY 33 -3.193 0.535 0.635 237 H ARG 34 H ARG 34 -1.531 2.836 -0.230 238 HA ARG 34 HA ARG 34 -3.653 4.223 -1.677 239 1HB ARG 34 2HB ARG 34 -1.510 5.558 -0.061 240 2HB ARG 34 1HB ARG 34 -2.254 6.346 -1.447 241 1HG ARG 34 2HG ARG 34 -4.347 6.221 -0.511 242 2HG ARG 34 1HG ARG 34 -3.804 5.261 0.877 243 1HD ARG 34 2HD ARG 34 -2.995 8.114 0.238 244 2HD ARG 34 1HD ARG 34 -4.086 7.617 1.530 245 HE ARG 34 HE ARG 34 -1.461 6.418 1.668 246 1HH1 ARG 34 1HH1 ARG 34 -3.479 9.130 2.747 247 2HH1 ARG 34 2HH1 ARG 34 -2.433 9.583 3.996 248 1HH2 ARG 34 1HH2 ARG 34 -0.059 7.010 3.328 249 2HH2 ARG 34 2HH2 ARG 34 -0.392 8.319 4.381 250 H CYS 35 H CYS 35 -3.274 5.086 -3.443 251 HA CYS 35 HA CYS 35 -1.056 3.789 -4.836 252 1HB CYS 35 2HB CYS 35 -3.521 3.460 -5.424 253 2HB CYS 35 1HB CYS 35 -3.473 5.098 -6.057 254 H ARG 36 H ARG 36 0.579 5.063 -5.207 255 HA ARG 36 HA ARG 36 0.153 7.961 -5.216 256 1HB ARG 36 2HB ARG 36 2.592 6.320 -4.518 257 2HB ARG 36 1HB ARG 36 2.599 8.078 -4.638 258 1HG ARG 36 2HG ARG 36 1.019 8.274 -2.847 259 2HG ARG 36 1HG ARG 36 0.762 6.543 -2.827 260 1HD ARG 36 2HD ARG 36 2.186 7.327 -0.968 261 2HD ARG 36 1HD ARG 36 2.968 6.154 -2.002 262 HE ARG 36 HE ARG 36 3.740 8.603 -2.959 263 1HH1 ARG 36 1HH1 ARG 36 3.830 7.102 0.251 264 2HH1 ARG 36 2HH1 ARG 36 5.421 7.592 0.595 265 1HH2 ARG 36 1HH2 ARG 36 5.885 9.329 -2.475 266 2HH2 ARG 36 2HH2 ARG 36 6.627 8.927 -0.992 267 H ASP 37 H ASP 37 2.239 8.992 -6.477 268 HA ASP 37 HA ASP 37 1.546 8.614 -9.191 269 1HB ASP 37 2HB ASP 37 3.206 10.295 -9.704 270 2HB ASP 37 1HB ASP 37 2.308 10.776 -8.268 271 H ASP 38 H ASP 38 3.838 7.052 -7.236 272 HA ASP 38 HA ASP 38 5.742 6.061 -9.062 273 1HB ASP 38 2HB ASP 38 4.474 4.626 -6.713 274 2HB ASP 38 1HB ASP 38 5.979 4.179 -7.497 275 H PHE 39 H PHE 39 2.393 5.479 -8.632 276 HA PHE 39 HA PHE 39 0.844 4.076 -9.399 277 1HB PHE 39 2HB PHE 39 2.910 3.303 -11.505 278 2HB PHE 39 1HB PHE 39 1.192 2.924 -11.575 279 HD1 PHE 39 1HD PHE 39 -0.372 5.061 -11.337 280 HD2 PHE 39 2HD PHE 39 3.666 5.109 -12.674 281 HE1 PHE 39 1HE PHE 39 -0.773 7.201 -12.468 282 HE2 PHE 39 2HE PHE 39 3.268 7.253 -13.808 283 HZ PHE 39 HZ PHE 39 1.049 8.300 -13.702 284 H ARG 40 H ARG 40 2.596 3.463 -7.420 285 HA ARG 40 HA ARG 40 2.528 0.543 -7.423 286 1HB ARG 40 2HB ARG 40 4.538 2.419 -6.160 287 2HB ARG 40 1HB ARG 40 4.339 0.752 -5.664 288 1HG ARG 40 2HG ARG 40 4.939 1.528 -8.488 289 2HG ARG 40 1HG ARG 40 6.200 1.195 -7.287 290 1HD ARG 40 2HD ARG 40 4.015 -0.718 -8.140 291 2HD ARG 40 1HD ARG 40 5.697 -0.782 -8.662 292 HE ARG 40 HE ARG 40 6.055 -0.880 -6.081 293 1HH1 ARG 40 1HH1 ARG 40 3.669 -2.728 -8.025 294 2HH1 ARG 40 2HH1 ARG 40 3.633 -4.006 -6.888 295 1HH2 ARG 40 1HH2 ARG 40 5.919 -2.730 -4.576 296 2HH2 ARG 40 2HH2 ARG 40 4.913 -4.017 -4.959 297 H CYS 41 H CYS 41 1.907 -0.380 -5.495 298 HA CYS 41 HA CYS 41 -0.008 1.154 -4.018 299 1HB CYS 41 2HB CYS 41 -0.581 -1.011 -4.773 300 2HB CYS 41 1HB CYS 41 0.814 -1.756 -3.999 301 H TRP 42 H TRP 42 0.501 2.186 -2.251 302 HA TRP 42 HA TRP 42 2.836 1.362 -0.689 303 1HB TRP 42 2HB TRP 42 1.428 3.993 -1.072 304 2HB TRP 42 1HB TRP 42 2.497 3.707 0.284 305 HD1 TRP 42 HD TRP 42 2.545 4.126 -3.546 306 HE1 TRP 42 1HE TRP 42 4.957 4.813 -4.228 307 HE3 TRP 42 3HE TRP 42 4.934 3.578 0.992 308 HZ2 TRP 42 2HZ TRP 42 7.459 5.060 -3.036 309 HZ3 TRP 42 3HZ TRP 42 7.252 4.065 1.133 310 HH2 TRP 42 HH TRP 42 8.548 4.788 -0.821 311 H CYS 43 H CYS 43 2.262 0.331 1.089 312 HA CYS 43 HA CYS 43 -0.408 0.605 2.220 313 1HB CYS 43 2HB CYS 43 1.859 -1.263 2.931 314 2HB CYS 43 1HB CYS 43 0.228 -1.314 3.591 315 H THR 44 H THR 44 -0.734 1.693 4.130 316 HA THR 44 HA THR 44 1.560 3.051 5.260 317 HB THR 44 HB THR 44 -1.361 3.470 5.903 318 HG1 THR 44 1HG THR 44 0.043 4.606 3.631 319 1HG2 THR 44 1HG2 THR 44 -0.608 5.781 6.313 320 2HG2 THR 44 2HG2 THR 44 1.026 5.334 5.827 321 3HG2 THR 44 3HG2 THR 44 0.317 4.630 7.279 322 H ARG 45 H ARG 45 2.013 2.639 7.479 323 HA ARG 45 HA ARG 45 0.204 0.777 8.835 324 1HB ARG 45 2HB ARG 45 1.969 -0.570 9.607 325 2HB ARG 45 1HB ARG 45 2.393 -0.281 7.930 326 1HG ARG 45 2HG ARG 45 3.947 1.494 8.655 327 2HG ARG 45 1HG ARG 45 3.557 1.125 10.336 328 1HD ARG 45 2HD ARG 45 5.531 -0.034 9.938 329 2HD ARG 45 1HD ARG 45 4.281 -1.262 9.760 330 HE ARG 45 HE ARG 45 5.203 0.115 7.370 331 1HH1 ARG 45 1HH1 ARG 45 5.164 -2.902 9.252 332 2HH1 ARG 45 2HH1 ARG 45 5.937 -3.816 8.057 333 1HH2 ARG 45 1HH2 ARG 45 6.272 -1.135 5.758 334 2HH2 ARG 45 2HH2 ARG 45 6.560 -2.787 5.985 335 H ASN 46 H ASN 46 0.200 1.077 11.165 336 HA ASN 46 HA ASN 46 0.872 3.692 11.981 337 1HB ASN 46 2HB ASN 46 -0.372 1.290 13.295 338 2HB ASN 46 1HB ASN 46 -0.038 2.817 14.089 339 1HD2 ASN 46 1HD2 ASN 46 -2.575 1.479 13.635 340 2HD2 ASN 46 2HD2 ASN 46 -3.567 2.556 12.734 341 H CYS 47 H CYS 47 2.685 4.167 13.005 342 HA CYS 47 HA CYS 47 4.223 2.020 14.202 343 1HB CYS 47 2HB CYS 47 6.305 3.284 13.358 344 2HB CYS 47 1HB CYS 47 5.394 2.385 12.149 Start of MODEL 11 1 1H LYS 1 1HT LYS 1 2.943 10.412 13.871 2 2H LYS 1 2HT LYS 1 3.043 8.765 13.450 3 3H LYS 1 3HT LYS 1 1.627 9.625 13.167 4 HA LYS 1 HA LYS 1 2.649 10.989 11.506 5 1HB LYS 1 2HB LYS 1 4.942 9.077 11.488 6 2HB LYS 1 1HB LYS 1 4.848 10.687 10.827 7 1HG LYS 1 2HG LYS 1 5.133 11.680 12.981 8 2HG LYS 1 1HG LYS 1 5.032 10.097 13.760 9 1HD LYS 1 2HD LYS 1 7.026 9.443 12.307 10 2HD LYS 1 1HD LYS 1 7.209 11.167 11.988 11 1HE LYS 1 2HE LYS 1 8.643 10.450 13.822 12 2HE LYS 1 1HE LYS 1 7.417 11.585 14.385 13 1HZ LYS 1 1HZ LYS 1 7.773 9.579 15.831 14 2HZ LYS 1 2HZ LYS 1 7.045 8.638 14.600 15 3HZ LYS 1 3HZ LYS 1 6.185 9.842 15.350 16 H THR 2 H THR 2 3.039 9.944 9.284 17 HA THR 2 HA THR 2 2.174 7.179 9.372 18 HB THR 2 HB THR 2 1.291 7.614 7.072 19 HG1 THR 2 1HG THR 2 0.595 10.118 7.243 20 1HG2 THR 2 1HG2 THR 2 -0.861 8.553 7.899 21 2HG2 THR 2 2HG2 THR 2 -0.052 9.006 9.397 22 3HG2 THR 2 3HG2 THR 2 -0.210 7.304 8.961 23 H CYS 3 H CYS 3 3.369 5.787 8.379 24 HA CYS 3 HA CYS 3 5.565 6.735 6.702 25 1HB CYS 3 2HB CYS 3 5.537 4.470 8.719 26 2HB CYS 3 1HB CYS 3 6.823 4.727 7.545 27 H GLU 4 H GLU 4 5.664 5.798 4.747 28 HA GLU 4 HA GLU 4 3.618 3.769 4.225 29 1HB GLU 4 2HB GLU 4 3.128 6.171 3.579 30 2HB GLU 4 1HB GLU 4 4.469 6.056 2.476 31 1HG GLU 4 2HG GLU 4 3.388 4.541 1.130 32 2HG GLU 4 1HG GLU 4 2.105 4.227 2.313 33 H ASN 5 H ASN 5 4.225 2.120 2.861 34 HA ASN 5 HA ASN 5 6.774 2.214 1.435 35 1HB ASN 5 2HB ASN 5 7.133 1.247 3.859 36 2HB ASN 5 1HB ASN 5 6.196 -0.109 3.238 37 1HD2 ASN 5 1HD2 ASN 5 9.195 1.591 2.997 38 2HD2 ASN 5 2HD2 ASN 5 10.046 0.368 2.114 39 H LEU 6 H LEU 6 6.970 0.236 0.113 40 HA LEU 6 HA LEU 6 4.693 0.003 -1.474 41 1HB LEU 6 2HB LEU 6 7.345 -1.263 -1.260 42 2HB LEU 6 1HB LEU 6 6.235 -1.607 -2.566 43 HG LEU 6 HG LEU 6 7.292 1.165 -1.978 44 1HD1 LEU 6 1HD1 LEU 6 8.323 -0.862 -3.963 45 2HD1 LEU 6 2HD1 LEU 6 9.164 -0.325 -2.509 46 3HD1 LEU 6 3HD1 LEU 6 8.858 0.813 -3.822 47 1HD2 LEU 6 1HD2 LEU 6 5.236 1.077 -3.276 48 2HD2 LEU 6 2HD2 LEU 6 5.979 -0.062 -4.395 49 3HD2 LEU 6 3HD2 LEU 6 6.587 1.591 -4.285 50 H ALA 7 H ALA 7 3.254 -1.667 -1.569 51 HA ALA 7 HA ALA 7 3.117 -3.565 0.531 52 1HB ALA 7 1HB ALA 7 1.218 -4.453 -0.761 53 2HB ALA 7 2HB ALA 7 1.643 -3.373 -2.093 54 3HB ALA 7 3HB ALA 7 1.118 -2.706 -0.549 55 H ASN 8 H ASN 8 4.544 -5.129 0.623 56 HA ASN 8 HA ASN 8 5.860 -6.000 -1.776 57 1HB ASN 8 2HB ASN 8 7.311 -7.406 -0.310 58 2HB ASN 8 1HB ASN 8 7.349 -5.691 0.061 59 1HD2 ASN 8 1HD2 ASN 8 6.537 -4.990 2.005 60 2HD2 ASN 8 2HD2 ASN 8 6.173 -6.046 3.314 61 H THR 9 H THR 9 3.093 -6.995 -0.270 62 HA THR 9 HA THR 9 3.452 -9.632 -1.469 63 HB THR 9 HB THR 9 1.103 -8.799 0.280 64 HG1 THR 9 1HG THR 9 2.825 -8.483 1.594 65 1HG2 THR 9 1HG2 THR 9 2.376 -11.497 -0.271 66 2HG2 THR 9 2HG2 THR 9 0.870 -10.916 -0.980 67 3HG2 THR 9 3HG2 THR 9 0.972 -11.209 0.756 68 H TYR 10 H TYR 10 2.751 -6.797 -2.464 69 HA TYR 10 HA TYR 10 0.481 -7.599 -4.156 70 1HB TYR 10 2HB TYR 10 0.143 -5.469 -2.786 71 2HB TYR 10 1HB TYR 10 1.473 -4.773 -3.695 72 HD1 TYR 10 1HD TYR 10 1.176 -4.461 -6.212 73 HD2 TYR 10 2HD TYR 10 -2.061 -5.448 -3.649 74 HE1 TYR 10 1HE TYR 10 -0.407 -3.660 -7.921 75 HE2 TYR 10 2HE TYR 10 -3.654 -4.660 -5.352 76 HH TYR 10 HH TYR 10 -2.732 -4.025 -8.555 77 H ARG 11 H ARG 11 1.108 -8.138 -6.126 78 HA ARG 11 HA ARG 11 3.430 -6.745 -7.150 79 1HB ARG 11 2HB ARG 11 4.122 -8.736 -8.348 80 2HB ARG 11 1HB ARG 11 3.963 -9.041 -6.622 81 1HG ARG 11 2HG ARG 11 1.860 -10.189 -7.004 82 2HG ARG 11 1HG ARG 11 1.993 -9.869 -8.735 83 1HD ARG 11 2HD ARG 11 3.849 -11.528 -7.032 84 2HD ARG 11 1HD ARG 11 2.777 -12.100 -8.311 85 HE ARG 11 HE ARG 11 4.203 -10.561 -9.768 86 1HH1 ARG 11 1HH1 ARG 11 5.464 -12.478 -7.065 87 2HH1 ARG 11 2HH1 ARG 11 7.049 -12.566 -7.691 88 1HH2 ARG 11 1HH2 ARG 11 6.416 -10.695 -10.616 89 2HH2 ARG 11 2HH2 ARG 11 7.581 -11.549 -9.747 90 H GLY 12 H GLY 12 3.318 -5.904 -9.102 91 1HA GLY 12 2HA GLY 12 2.394 -5.985 -11.346 92 2HA GLY 12 1HA GLY 12 0.849 -6.347 -10.599 93 HA PRO 13 HA PRO 13 1.608 -1.627 -11.099 94 1HB PRO 13 2HB PRO 13 -0.339 -1.847 -13.313 95 2HB PRO 13 1HB PRO 13 1.176 -0.943 -13.242 96 1HG PRO 13 2HG PRO 13 0.958 -3.168 -14.713 97 2HG PRO 13 1HG PRO 13 2.455 -2.777 -13.841 98 1HD PRO 13 2HD PRO 13 0.289 -4.710 -13.128 99 2HD PRO 13 1HD PRO 13 2.052 -4.887 -13.001 100 H CYS 14 H CYS 14 0.254 -0.270 -10.137 101 HA CYS 14 HA CYS 14 -2.385 -1.263 -9.355 102 1HB CYS 14 2HB CYS 14 -0.897 -0.947 -7.483 103 2HB CYS 14 1HB CYS 14 -0.468 0.663 -8.036 104 H PHE 15 H PHE 15 -4.136 -0.026 -9.773 105 HA PHE 15 HA PHE 15 -3.706 2.598 -11.002 106 1HB PHE 15 2HB PHE 15 -5.601 0.461 -11.988 107 2HB PHE 15 1HB PHE 15 -5.540 2.106 -12.602 108 HD1 PHE 15 1HD PHE 15 -4.176 -1.203 -12.809 109 HD2 PHE 15 2HD PHE 15 -3.413 2.881 -13.734 110 HE1 PHE 15 1HE PHE 15 -2.463 -1.896 -14.430 111 HE2 PHE 15 2HE PHE 15 -1.698 2.195 -15.359 112 HZ PHE 15 HZ PHE 15 -1.222 -0.195 -15.710 113 H THR 16 H THR 16 -5.072 1.104 -8.388 114 HA THR 16 HA THR 16 -6.938 3.302 -8.066 115 HB THR 16 HB THR 16 -7.847 0.421 -7.789 116 HG1 THR 16 1HG THR 16 -7.819 2.199 -9.811 117 1HG2 THR 16 1HG2 THR 16 -8.916 1.906 -6.136 118 2HG2 THR 16 2HG2 THR 16 -10.075 1.379 -7.359 119 3HG2 THR 16 3HG2 THR 16 -9.395 3.005 -7.431 120 H THR 17 H THR 17 -6.928 4.105 -6.080 121 HA THR 17 HA THR 17 -5.047 3.389 -4.143 122 HB THR 17 HB THR 17 -7.525 5.076 -3.784 123 HG1 THR 17 1HG THR 17 -6.568 6.054 -5.409 124 1HG2 THR 17 1HG2 THR 17 -4.820 5.310 -2.484 125 2HG2 THR 17 2HG2 THR 17 -6.211 4.530 -1.725 126 3HG2 THR 17 3HG2 THR 17 -6.258 6.256 -2.100 127 H GLY 18 H GLY 18 -8.563 2.905 -4.231 128 1HA GLY 18 2HA GLY 18 -8.809 1.738 -1.682 129 2HA GLY 18 1HA GLY 18 -9.968 1.607 -2.994 130 H SER 19 H SER 19 -7.847 0.397 -4.739 131 HA SER 19 HA SER 19 -8.385 -2.321 -4.039 132 1HB SER 19 2HB SER 19 -6.562 -1.187 -6.177 133 2HB SER 19 1HB SER 19 -7.191 -2.837 -6.101 134 HG SER 19 HG SER 19 -9.277 -1.978 -6.289 135 H CYS 20 H CYS 20 -5.809 -0.073 -3.700 136 HA CYS 20 HA CYS 20 -3.887 -2.007 -2.853 137 1HB CYS 20 2HB CYS 20 -3.156 0.076 -3.950 138 2HB CYS 20 1HB CYS 20 -3.922 1.009 -2.715 139 H ASP 21 H ASP 21 -6.010 0.400 -1.293 140 HA ASP 21 HA ASP 21 -5.265 0.013 1.383 141 1HB ASP 21 2HB ASP 21 -6.695 1.849 0.701 142 2HB ASP 21 1HB ASP 21 -7.972 0.731 0.217 143 H ASP 22 H ASP 22 -7.784 -1.535 -0.494 144 HA ASP 22 HA ASP 22 -8.841 -3.429 1.188 145 1HB ASP 22 2HB ASP 22 -9.694 -3.161 -1.022 146 2HB ASP 22 1HB ASP 22 -8.134 -3.510 -1.741 147 H HIS 23 H HIS 23 -5.969 -3.705 -0.790 148 HA HIS 23 HA HIS 23 -5.237 -6.307 -0.002 149 1HB HIS 23 2HB HIS 23 -4.447 -5.448 -2.097 150 2HB HIS 23 1HB HIS 23 -3.705 -4.063 -1.317 151 HD1 HIS 23 1HD HIS 23 -3.228 -7.740 -1.871 152 HD2 HIS 23 2HD HIS 23 -1.180 -4.478 -0.353 153 HE1 HIS 23 1HE HIS 23 -0.884 -8.531 -1.491 154 HE2 HIS 23 2HE HIS 23 0.249 -6.546 -0.330 155 H CYS 24 H CYS 24 -3.958 -3.126 0.966 156 HA CYS 24 HA CYS 24 -2.005 -4.159 2.668 157 1HB CYS 24 2HB CYS 24 -3.290 -1.441 2.577 158 2HB CYS 24 1HB CYS 24 -1.877 -1.814 3.553 159 H LYS 25 H LYS 25 -5.415 -3.254 3.411 160 HA LYS 25 HA LYS 25 -5.039 -3.532 6.172 161 1HB LYS 25 2HB LYS 25 -7.323 -3.346 4.293 162 2HB LYS 25 1HB LYS 25 -7.567 -3.682 5.986 163 1HG LYS 25 2HG LYS 25 -6.434 -1.548 6.527 164 2HG LYS 25 1HG LYS 25 -6.274 -1.239 4.793 165 1HD LYS 25 2HD LYS 25 -8.664 -1.259 4.523 166 2HD LYS 25 1HD LYS 25 -8.882 -1.719 6.211 167 1HE LYS 25 2HE LYS 25 -7.658 0.859 5.247 168 2HE LYS 25 1HE LYS 25 -9.317 0.660 5.809 169 1HZ LYS 25 1HZ LYS 25 -6.838 0.335 7.400 170 2HZ LYS 25 2HZ LYS 25 -8.356 -0.107 7.954 171 3HZ LYS 25 3HZ LYS 25 -8.043 1.510 7.593 172 H ASN 26 H ASN 26 -6.654 -5.537 3.681 173 HA ASN 26 HA ASN 26 -7.281 -7.492 5.642 174 1HB ASN 26 2HB ASN 26 -8.908 -7.012 3.977 175 2HB ASN 26 1HB ASN 26 -7.761 -7.333 2.683 176 1HD2 ASN 26 1HD2 ASN 26 -7.498 -9.373 1.979 177 2HD2 ASN 26 2HD2 ASN 26 -8.371 -10.708 2.602 178 H LYS 27 H LYS 27 -4.932 -7.309 3.018 179 HA LYS 27 HA LYS 27 -4.189 -10.044 3.621 180 1HB LYS 27 2HB LYS 27 -4.395 -9.539 1.274 181 2HB LYS 27 1HB LYS 27 -3.271 -8.196 1.412 182 1HG LYS 27 2HG LYS 27 -2.195 -10.109 0.367 183 2HG LYS 27 1HG LYS 27 -1.463 -9.772 1.937 184 1HD LYS 27 2HD LYS 27 -2.907 -11.547 2.918 185 2HD LYS 27 1HD LYS 27 -3.457 -11.942 1.286 186 1HE LYS 27 2HE LYS 27 -1.163 -12.461 0.643 187 2HE LYS 27 1HE LYS 27 -0.605 -12.029 2.257 188 1HZ LYS 27 1HZ LYS 27 -0.814 -14.383 2.136 189 2HZ LYS 27 2HZ LYS 27 -2.378 -14.287 1.532 190 3HZ LYS 27 3HZ LYS 27 -2.066 -13.828 3.117 191 H GLU 28 H GLU 28 -2.722 -6.789 3.723 192 HA GLU 28 HA GLU 28 -0.427 -8.137 4.843 193 1HB GLU 28 2HB GLU 28 -0.470 -5.360 3.684 194 2HB GLU 28 1HB GLU 28 0.960 -6.171 4.331 195 1HG GLU 28 2HG GLU 28 0.184 -8.073 2.707 196 2HG GLU 28 1HG GLU 28 -0.606 -6.760 1.895 197 H HIS 29 H HIS 29 -3.005 -6.655 5.956 198 HA HIS 29 HA HIS 29 -3.718 -6.104 8.003 199 1HB HIS 29 2HB HIS 29 -1.141 -7.394 8.917 200 2HB HIS 29 1HB HIS 29 -2.508 -7.019 9.960 201 HD1 HIS 29 1HD HIS 29 -1.125 -9.635 7.912 202 HD2 HIS 29 2HD HIS 29 -4.926 -8.522 9.136 203 HE1 HIS 29 1HE HIS 29 -2.560 -11.622 7.494 204 HE2 HIS 29 2HE HIS 29 -4.768 -11.020 8.504 205 H LEU 30 H LEU 30 -2.161 -4.148 6.591 206 HA LEU 30 HA LEU 30 -0.902 -2.722 8.787 207 1HB LEU 30 2HB LEU 30 -0.737 -2.259 5.811 208 2HB LEU 30 1HB LEU 30 0.030 -1.233 7.008 209 HG LEU 30 HG LEU 30 0.668 -4.151 6.516 210 1HD1 LEU 30 1HD1 LEU 30 2.264 -1.669 5.942 211 2HD1 LEU 30 2HD1 LEU 30 1.519 -2.746 4.756 212 3HD1 LEU 30 3HD1 LEU 30 2.839 -3.326 5.766 213 1HD2 LEU 30 1HD2 LEU 30 1.885 -2.191 8.463 214 2HD2 LEU 30 2HD2 LEU 30 2.528 -3.788 8.091 215 3HD2 LEU 30 3HD2 LEU 30 0.955 -3.640 8.870 216 H ARG 31 H ARG 31 -1.214 -0.125 7.873 217 HA ARG 31 HA ARG 31 -3.735 0.322 9.124 218 1HB ARG 31 2HB ARG 31 -1.420 1.645 9.111 219 2HB ARG 31 1HB ARG 31 -2.173 2.448 7.798 220 1HG ARG 31 2HG ARG 31 -3.602 2.301 10.422 221 2HG ARG 31 1HG ARG 31 -2.459 3.591 10.049 222 1HD ARG 31 2HD ARG 31 -3.709 4.197 8.131 223 2HD ARG 31 1HD ARG 31 -4.837 2.866 8.364 224 HE ARG 31 HE ARG 31 -4.891 4.389 10.677 225 1HH1 ARG 31 1HH1 ARG 31 -5.663 4.821 7.248 226 2HH1 ARG 31 2HH1 ARG 31 -6.889 5.958 7.518 227 1HH2 ARG 31 1HH2 ARG 31 -6.592 5.902 11.057 228 2HH2 ARG 31 2HH2 ARG 31 -7.462 6.585 9.758 229 H SER 32 H SER 32 -2.477 1.489 5.988 230 HA SER 32 HA SER 32 -5.069 1.041 4.738 231 1HB SER 32 2HB SER 32 -3.727 3.763 4.685 232 2HB SER 32 1HB SER 32 -5.212 3.299 3.886 233 HG SER 32 HG SER 32 -6.281 3.252 5.701 234 H GLY 33 H GLY 33 -4.676 2.022 2.361 235 1HA GLY 33 2HA GLY 33 -1.954 1.574 1.516 236 2HA GLY 33 1HA GLY 33 -3.178 0.460 0.897 237 H ARG 34 H ARG 34 -1.501 2.652 -0.285 238 HA ARG 34 HA ARG 34 -3.718 3.913 -1.720 239 1HB ARG 34 2HB ARG 34 -1.276 5.320 -0.703 240 2HB ARG 34 1HB ARG 34 -2.360 5.971 -1.921 241 1HG ARG 34 2HG ARG 34 -4.127 5.783 -0.468 242 2HG ARG 34 1HG ARG 34 -3.106 5.270 0.906 243 1HD ARG 34 2HD ARG 34 -3.223 7.911 -0.547 244 2HD ARG 34 1HD ARG 34 -3.326 7.632 1.192 245 HE ARG 34 HE ARG 34 -0.851 6.846 0.792 246 1HH1 ARG 34 1HH1 ARG 34 -2.508 9.705 -0.486 247 2HH1 ARG 34 2HH1 ARG 34 -1.069 10.558 -0.831 248 1HH2 ARG 34 1HH2 ARG 34 1.084 7.948 0.306 249 2HH2 ARG 34 2HH2 ARG 34 1.057 9.516 -0.350 250 H CYS 35 H CYS 35 -3.324 4.639 -3.554 251 HA CYS 35 HA CYS 35 -1.272 3.065 -4.953 252 1HB CYS 35 2HB CYS 35 -3.709 2.617 -5.392 253 2HB CYS 35 1HB CYS 35 -3.778 4.204 -6.155 254 H ARG 36 H ARG 36 0.352 4.295 -5.386 255 HA ARG 36 HA ARG 36 -0.065 7.153 -5.649 256 1HB ARG 36 2HB ARG 36 2.337 5.470 -5.043 257 2HB ARG 36 1HB ARG 36 2.460 7.188 -5.401 258 1HG ARG 36 2HG ARG 36 1.070 7.736 -3.543 259 2HG ARG 36 1HG ARG 36 0.712 6.044 -3.265 260 1HD ARG 36 2HD ARG 36 2.365 7.127 -1.712 261 2HD ARG 36 1HD ARG 36 2.828 5.600 -2.437 262 HE ARG 36 HE ARG 36 4.026 7.262 -4.091 263 1HH1 ARG 36 1HH1 ARG 36 3.778 7.363 -0.549 264 2HH1 ARG 36 2HH1 ARG 36 5.334 7.986 -0.296 265 1HH2 ARG 36 1HH2 ARG 36 6.247 8.054 -3.754 266 2HH2 ARG 36 2HH2 ARG 36 6.775 8.389 -2.184 267 H ASP 37 H ASP 37 1.752 8.194 -7.124 268 HA ASP 37 HA ASP 37 0.969 7.454 -9.794 269 1HB ASP 37 2HB ASP 37 2.958 9.565 -8.909 270 2HB ASP 37 1HB ASP 37 2.212 9.433 -10.493 271 H ASP 38 H ASP 38 3.109 6.333 -7.778 272 HA ASP 38 HA ASP 38 5.395 5.715 -9.394 273 1HB ASP 38 2HB ASP 38 4.335 4.395 -6.881 274 2HB ASP 38 1HB ASP 38 5.933 4.166 -7.572 275 H PHE 39 H PHE 39 2.198 4.709 -9.238 276 HA PHE 39 HA PHE 39 0.934 3.124 -10.136 277 1HB PHE 39 2HB PHE 39 3.435 2.377 -11.673 278 2HB PHE 39 1HB PHE 39 1.882 1.599 -11.915 279 HD1 PHE 39 1HD PHE 39 0.021 2.788 -12.922 280 HD2 PHE 39 2HD PHE 39 3.826 4.638 -12.468 281 HE1 PHE 39 1HE PHE 39 -0.645 4.542 -14.512 282 HE2 PHE 39 2HE PHE 39 3.165 6.392 -14.056 283 HZ PHE 39 HZ PHE 39 0.925 6.344 -15.080 284 H ARG 40 H ARG 40 2.640 2.670 -7.737 285 HA ARG 40 HA ARG 40 2.137 -0.199 -7.643 286 1HB ARG 40 2HB ARG 40 4.379 1.261 -6.250 287 2HB ARG 40 1HB ARG 40 3.926 -0.401 -5.929 288 1HG ARG 40 2HG ARG 40 4.352 -0.757 -8.456 289 2HG ARG 40 1HG ARG 40 5.239 0.769 -8.337 290 1HD ARG 40 2HD ARG 40 6.747 -1.128 -7.993 291 2HD ARG 40 1HD ARG 40 6.595 -0.179 -6.508 292 HE ARG 40 HE ARG 40 4.680 -2.260 -6.654 293 1HH1 ARG 40 1HH1 ARG 40 8.085 -1.738 -5.821 294 2HH1 ARG 40 2HH1 ARG 40 8.171 -3.069 -4.765 295 1HH2 ARG 40 1HH2 ARG 40 4.796 -4.096 -5.200 296 2HH2 ARG 40 2HH2 ARG 40 6.243 -4.424 -4.390 297 H CYS 41 H CYS 41 1.671 -1.030 -5.545 298 HA CYS 41 HA CYS 41 -0.169 0.638 -4.104 299 1HB CYS 41 2HB CYS 41 -0.781 -1.578 -4.659 300 2HB CYS 41 1HB CYS 41 0.654 -2.269 -3.906 301 H TRP 42 H TRP 42 0.381 1.735 -2.383 302 HA TRP 42 HA TRP 42 2.818 1.034 -0.909 303 1HB TRP 42 2HB TRP 42 1.403 3.649 -1.405 304 2HB TRP 42 1HB TRP 42 2.577 3.425 -0.125 305 HD1 TRP 42 HD TRP 42 2.373 3.399 -3.996 306 HE1 TRP 42 1HE TRP 42 4.716 4.047 -4.891 307 HE3 TRP 42 3HE TRP 42 4.931 3.650 0.422 308 HZ2 TRP 42 2HZ TRP 42 7.251 4.605 -3.868 309 HZ3 TRP 42 3HZ TRP 42 7.264 4.276 0.398 310 HH2 TRP 42 HH TRP 42 8.438 4.749 -1.711 311 H CYS 43 H CYS 43 2.346 0.268 1.059 312 HA CYS 43 HA CYS 43 -0.305 0.635 2.198 313 1HB CYS 43 2HB CYS 43 2.062 -0.988 3.149 314 2HB CYS 43 1HB CYS 43 0.472 -0.963 3.896 315 H THR 44 H THR 44 -0.644 1.895 4.015 316 HA THR 44 HA THR 44 1.586 3.613 4.756 317 HB THR 44 HB THR 44 -1.378 4.026 5.224 318 HG1 THR 44 1HG THR 44 0.059 5.110 2.960 319 1HG2 THR 44 1HG2 THR 44 0.943 5.965 5.039 320 2HG2 THR 44 2HG2 THR 44 0.162 5.426 6.527 321 3HG2 THR 44 3HG2 THR 44 -0.740 6.394 5.364 322 H ARG 45 H ARG 45 2.108 3.594 6.966 323 HA ARG 45 HA ARG 45 0.269 2.274 8.738 324 1HB ARG 45 2HB ARG 45 2.081 0.939 9.799 325 2HB ARG 45 1HB ARG 45 1.784 0.472 8.137 326 1HG ARG 45 2HG ARG 45 3.771 1.792 7.462 327 2HG ARG 45 1HG ARG 45 4.084 2.129 9.165 328 1HD ARG 45 2HD ARG 45 4.148 -0.365 9.543 329 2HD ARG 45 1HD ARG 45 4.037 -0.562 7.805 330 HE ARG 45 HE ARG 45 6.171 1.122 8.242 331 1HH1 ARG 45 1HH1 ARG 45 5.367 -2.251 9.089 332 2HH1 ARG 45 2HH1 ARG 45 6.988 -2.738 9.151 333 1HH2 ARG 45 1HH2 ARG 45 8.389 0.380 8.359 334 2HH2 ARG 45 2HH2 ARG 45 8.730 -1.242 8.731 335 H ASN 46 H ASN 46 0.604 2.799 11.008 336 HA ASN 46 HA ASN 46 1.259 5.520 11.268 337 1HB ASN 46 2HB ASN 46 0.085 3.365 12.947 338 2HB ASN 46 1HB ASN 46 0.575 4.886 13.660 339 1HD2 ASN 46 1HD2 ASN 46 -2.067 3.628 13.330 340 2HD2 ASN 46 2HD2 ASN 46 -3.040 4.769 12.500 341 H CYS 47 H CYS 47 2.980 6.348 12.161 342 HA CYS 47 HA CYS 47 4.770 4.747 13.789 343 1HB CYS 47 2HB CYS 47 6.708 5.712 12.490 344 2HB CYS 47 1HB CYS 47 5.733 4.569 11.566 Start of MODEL 12 1 1H LYS 1 1HT LYS 1 2.922 12.085 13.056 2 2H LYS 1 2HT LYS 1 1.735 12.033 11.836 3 3H LYS 1 3HT LYS 1 3.330 11.775 11.447 4 HA LYS 1 HA LYS 1 3.399 9.773 12.677 5 1HB LYS 1 2HB LYS 1 1.179 8.808 13.387 6 2HB LYS 1 1HB LYS 1 1.880 10.006 14.442 7 1HG LYS 1 2HG LYS 1 0.313 11.683 13.449 8 2HG LYS 1 1HG LYS 1 -0.373 10.387 12.472 9 1HD LYS 1 2HD LYS 1 -1.177 9.236 14.377 10 2HD LYS 1 1HD LYS 1 -0.250 10.250 15.478 11 1HE LYS 1 2HE LYS 1 -2.487 11.223 13.710 12 2HE LYS 1 1HE LYS 1 -2.674 10.793 15.409 13 1HZ LYS 1 1HZ LYS 1 -2.398 13.165 15.117 14 2HZ LYS 1 2HZ LYS 1 -0.920 12.958 14.355 15 3HZ LYS 1 3HZ LYS 1 -1.092 12.553 15.980 16 H THR 2 H THR 2 2.327 7.805 12.033 17 HA THR 2 HA THR 2 1.977 6.297 10.443 18 HB THR 2 HB THR 2 0.268 6.632 8.679 19 HG1 THR 2 1HG THR 2 0.572 9.238 9.390 20 1HG2 THR 2 1HG2 THR 2 -0.564 7.349 11.489 21 2HG2 THR 2 2HG2 THR 2 -0.381 5.723 10.823 22 3HG2 THR 2 3HG2 THR 2 -1.663 6.781 10.232 23 H CYS 3 H CYS 3 3.086 5.490 8.974 24 HA CYS 3 HA CYS 3 4.653 7.302 7.257 25 1HB CYS 3 2HB CYS 3 5.531 4.751 8.646 26 2HB CYS 3 1HB CYS 3 6.509 5.641 7.484 27 H GLU 4 H GLU 4 4.696 6.784 5.095 28 HA GLU 4 HA GLU 4 3.213 4.374 4.348 29 1HB GLU 4 2HB GLU 4 2.318 6.710 3.793 30 2HB GLU 4 1HB GLU 4 3.683 6.842 2.723 31 1HG GLU 4 2HG GLU 4 2.927 5.013 1.407 32 2HG GLU 4 1HG GLU 4 1.595 4.711 2.516 33 H ASN 5 H ASN 5 4.145 2.917 3.093 34 HA ASN 5 HA ASN 5 6.477 3.473 1.451 35 1HB ASN 5 2HB ASN 5 7.389 2.777 3.792 36 2HB ASN 5 1HB ASN 5 6.589 1.234 3.430 37 1HD2 ASN 5 1HD2 ASN 5 8.536 0.060 3.357 38 2HD2 ASN 5 2HD2 ASN 5 9.615 0.298 2.023 39 H LEU 6 H LEU 6 6.942 1.622 0.193 40 HA LEU 6 HA LEU 6 4.819 0.858 -1.349 41 1HB LEU 6 2HB LEU 6 7.547 -0.207 -0.935 42 2HB LEU 6 1HB LEU 6 6.516 -0.583 -2.299 43 HG LEU 6 HG LEU 6 7.336 2.240 -1.665 44 1HD1 LEU 6 1HD1 LEU 6 8.718 0.259 -3.467 45 2HD1 LEU 6 2HD1 LEU 6 9.363 0.893 -1.949 46 3HD1 LEU 6 3HD1 LEU 6 9.100 1.974 -3.321 47 1HD2 LEU 6 1HD2 LEU 6 6.400 0.861 -4.178 48 2HD2 LEU 6 2HD2 LEU 6 6.832 2.563 -4.030 49 3HD2 LEU 6 3HD2 LEU 6 5.433 1.934 -3.165 50 H ALA 7 H ALA 7 3.685 -1.022 -1.534 51 HA ALA 7 HA ALA 7 3.516 -2.931 0.565 52 1HB ALA 7 1HB ALA 7 2.119 -4.185 -1.048 53 2HB ALA 7 2HB ALA 7 2.605 -3.059 -2.317 54 3HB ALA 7 3HB ALA 7 1.640 -2.491 -0.955 55 H ASN 8 H ASN 8 4.311 -5.099 0.477 56 HA ASN 8 HA ASN 8 6.782 -5.134 -1.094 57 1HB ASN 8 2HB ASN 8 7.827 -6.486 0.518 58 2HB ASN 8 1HB ASN 8 6.850 -5.387 1.470 59 1HD2 ASN 8 1HD2 ASN 8 4.877 -6.244 2.416 60 2HD2 ASN 8 2HD2 ASN 8 4.750 -7.934 2.706 61 H THR 9 H THR 9 3.815 -6.919 -0.627 62 HA THR 9 HA THR 9 4.865 -8.894 -2.510 63 HB THR 9 HB THR 9 2.780 -10.224 -1.752 64 HG1 THR 9 1HG THR 9 3.053 -8.971 0.701 65 1HG2 THR 9 1HG2 THR 9 5.113 -9.773 0.119 66 2HG2 THR 9 2HG2 THR 9 5.077 -10.886 -1.246 67 3HG2 THR 9 3HG2 THR 9 4.035 -11.168 0.147 68 H TYR 10 H TYR 10 3.411 -6.221 -2.877 69 HA TYR 10 HA TYR 10 1.176 -7.165 -4.493 70 1HB TYR 10 2HB TYR 10 0.956 -5.054 -3.109 71 2HB TYR 10 1HB TYR 10 2.088 -4.289 -4.221 72 HD1 TYR 10 1HD TYR 10 -1.313 -5.589 -3.807 73 HD2 TYR 10 2HD TYR 10 1.384 -3.710 -6.510 74 HE1 TYR 10 1HE TYR 10 -3.191 -5.032 -5.286 75 HE2 TYR 10 2HE TYR 10 -0.493 -3.148 -7.994 76 HH TYR 10 HH TYR 10 -2.739 -3.965 -8.466 77 H ARG 11 H ARG 11 1.418 -7.700 -6.470 78 HA ARG 11 HA ARG 11 3.697 -6.676 -7.974 79 1HB ARG 11 2HB ARG 11 3.556 -8.865 -9.208 80 2HB ARG 11 1HB ARG 11 4.004 -8.953 -7.503 81 1HG ARG 11 2HG ARG 11 1.759 -9.625 -6.908 82 2HG ARG 11 1HG ARG 11 1.263 -9.525 -8.596 83 1HD ARG 11 2HD ARG 11 2.734 -11.291 -9.202 84 2HD ARG 11 1HD ARG 11 3.467 -11.324 -7.599 85 HE ARG 11 HE ARG 11 1.010 -11.862 -6.947 86 1HH1 ARG 11 1HH1 ARG 11 2.727 -13.061 -9.798 87 2HH1 ARG 11 2HH1 ARG 11 1.945 -14.569 -9.822 88 1HH2 ARG 11 1HH2 ARG 11 -0.093 -13.980 -7.007 89 2HH2 ARG 11 2HH2 ARG 11 0.341 -15.103 -8.211 90 H GLY 12 H GLY 12 3.369 -5.977 -10.011 91 1HA GLY 12 2HA GLY 12 2.134 -5.826 -12.031 92 2HA GLY 12 1HA GLY 12 0.662 -6.121 -11.113 93 HA PRO 13 HA PRO 13 1.839 -1.416 -11.459 94 1HB PRO 13 2HB PRO 13 -0.083 -1.425 -13.725 95 2HB PRO 13 1HB PRO 13 1.434 -0.532 -13.551 96 1HG PRO 13 2HG PRO 13 1.285 -2.615 -15.183 97 2HG PRO 13 1HG PRO 13 2.724 -2.343 -14.180 98 1HD PRO 13 2HD PRO 13 0.475 -4.278 -13.770 99 2HD PRO 13 1HD PRO 13 2.225 -4.508 -13.549 100 H CYS 14 H CYS 14 0.643 -0.338 -10.095 101 HA CYS 14 HA CYS 14 -1.988 -1.287 -9.415 102 1HB CYS 14 2HB CYS 14 -0.369 -0.921 -7.632 103 2HB CYS 14 1HB CYS 14 -0.139 0.740 -8.149 104 H PHE 15 H PHE 15 -3.782 -0.210 -9.853 105 HA PHE 15 HA PHE 15 -3.623 2.559 -10.815 106 1HB PHE 15 2HB PHE 15 -5.256 0.358 -12.083 107 2HB PHE 15 1HB PHE 15 -5.384 2.058 -12.498 108 HD1 PHE 15 1HD PHE 15 -3.285 3.193 -13.425 109 HD2 PHE 15 2HD PHE 15 -3.756 -1.022 -13.164 110 HE1 PHE 15 1HE PHE 15 -1.537 2.896 -15.130 111 HE2 PHE 15 2HE PHE 15 -2.005 -1.327 -14.867 112 HZ PHE 15 HZ PHE 15 -0.895 0.632 -15.851 113 H THR 16 H THR 16 -4.766 0.666 -8.431 114 HA THR 16 HA THR 16 -7.092 2.379 -8.062 115 HB THR 16 HB THR 16 -7.288 -0.643 -7.863 116 HG1 THR 16 1HG THR 16 -7.531 1.080 -9.969 117 1HG2 THR 16 1HG2 THR 16 -9.701 -0.212 -7.672 118 2HG2 THR 16 2HG2 THR 16 -9.408 1.520 -7.758 119 3HG2 THR 16 3HG2 THR 16 -8.823 0.595 -6.373 120 H THR 17 H THR 17 -6.914 3.253 -6.069 121 HA THR 17 HA THR 17 -5.233 2.340 -4.050 122 HB THR 17 HB THR 17 -7.550 4.262 -4.055 123 HG1 THR 17 1HG THR 17 -6.046 5.442 -4.841 124 1HG2 THR 17 1HG2 THR 17 -7.426 3.442 -1.773 125 2HG2 THR 17 2HG2 THR 17 -6.737 5.067 -1.817 126 3HG2 THR 17 3HG2 THR 17 -5.686 3.652 -1.741 127 H GLY 18 H GLY 18 -8.626 1.702 -4.677 128 1HA GLY 18 2HA GLY 18 -9.264 0.390 -2.275 129 2HA GLY 18 1HA GLY 18 -10.053 0.126 -3.824 130 H SER 19 H SER 19 -7.437 -0.711 -5.047 131 HA SER 19 HA SER 19 -7.625 -3.491 -4.288 132 1HB SER 19 2HB SER 19 -5.815 -2.161 -6.305 133 2HB SER 19 1HB SER 19 -6.226 -3.876 -6.211 134 HG SER 19 HG SER 19 -8.495 -2.559 -6.302 135 H CYS 20 H CYS 20 -5.348 -0.817 -4.166 136 HA CYS 20 HA CYS 20 -3.144 -2.208 -3.089 137 1HB CYS 20 2HB CYS 20 -2.930 0.068 -4.141 138 2HB CYS 20 1HB CYS 20 -3.882 0.714 -2.849 139 H ASP 21 H ASP 21 -5.631 -0.171 -1.544 140 HA ASP 21 HA ASP 21 -4.879 -0.424 1.117 141 1HB ASP 21 2HB ASP 21 -6.464 1.208 0.465 142 2HB ASP 21 1HB ASP 21 -7.577 -0.000 -0.177 143 H ASP 22 H ASP 22 -7.034 -2.389 -0.809 144 HA ASP 22 HA ASP 22 -7.860 -4.226 1.103 145 1HB ASP 22 2HB ASP 22 -8.832 -4.141 -1.126 146 2HB ASP 22 1HB ASP 22 -7.303 -4.653 -1.831 147 H HIS 23 H HIS 23 -5.066 -4.308 -1.034 148 HA HIS 23 HA HIS 23 -4.063 -6.796 -0.153 149 1HB HIS 23 2HB HIS 23 -3.377 -5.903 -2.304 150 2HB HIS 23 1HB HIS 23 -2.672 -4.493 -1.529 151 HD1 HIS 23 1HD HIS 23 -2.044 -8.157 -2.111 152 HD2 HIS 23 2HD HIS 23 -0.138 -4.841 -0.505 153 HE1 HIS 23 1HE HIS 23 0.330 -8.863 -1.712 154 HE2 HIS 23 2HE HIS 23 1.357 -6.884 -0.486 155 H CYS 24 H CYS 24 -3.249 -3.489 0.763 156 HA CYS 24 HA CYS 24 -1.170 -4.224 2.478 157 1HB CYS 24 2HB CYS 24 -2.873 -1.732 2.456 158 2HB CYS 24 1HB CYS 24 -1.391 -1.898 3.381 159 H LYS 25 H LYS 25 -4.686 -4.095 3.014 160 HA LYS 25 HA LYS 25 -4.379 -4.387 5.820 161 1HB LYS 25 2HB LYS 25 -6.562 -4.146 3.848 162 2HB LYS 25 1HB LYS 25 -6.911 -4.743 5.453 163 1HG LYS 25 2HG LYS 25 -6.156 -2.700 6.442 164 2HG LYS 25 1HG LYS 25 -5.484 -2.150 4.906 165 1HD LYS 25 2HD LYS 25 -7.693 -1.982 3.955 166 2HD LYS 25 1HD LYS 25 -8.409 -2.653 5.423 167 1HE LYS 25 2HE LYS 25 -7.862 -0.751 6.685 168 2HE LYS 25 1HE LYS 25 -6.748 -0.154 5.459 169 1HZ LYS 25 1HZ LYS 25 -8.879 1.039 5.510 170 2HZ LYS 25 2HZ LYS 25 -9.688 -0.371 5.010 171 3HZ LYS 25 3HZ LYS 25 -8.493 0.329 4.038 172 H ASN 26 H ASN 26 -5.748 -6.420 3.138 173 HA ASN 26 HA ASN 26 -6.326 -8.592 4.800 174 1HB ASN 26 2HB ASN 26 -7.484 -8.201 2.738 175 2HB ASN 26 1HB ASN 26 -5.982 -8.311 1.830 176 1HD2 ASN 26 1HD2 ASN 26 -6.457 -9.962 0.606 177 2HD2 ASN 26 2HD2 ASN 26 -6.766 -11.569 1.170 178 H LYS 27 H LYS 27 -3.636 -7.909 2.592 179 HA LYS 27 HA LYS 27 -2.540 -10.527 3.214 180 1HB LYS 27 2HB LYS 27 -2.717 -9.387 0.866 181 2HB LYS 27 1HB LYS 27 -1.276 -8.528 1.363 182 1HG LYS 27 2HG LYS 27 -1.525 -11.532 1.170 183 2HG LYS 27 1HG LYS 27 -0.810 -10.497 -0.057 184 1HD LYS 27 2HD LYS 27 0.933 -9.847 1.521 185 2HD LYS 27 1HD LYS 27 0.185 -10.853 2.766 186 1HE LYS 27 2HE LYS 27 1.283 -11.833 0.132 187 2HE LYS 27 1HE LYS 27 2.083 -11.982 1.694 188 1HZ LYS 27 1HZ LYS 27 -0.518 -13.240 0.961 189 2HZ LYS 27 2HZ LYS 27 0.242 -13.362 2.459 190 3HZ LYS 27 3HZ LYS 27 0.975 -14.006 1.077 191 H GLU 28 H GLU 28 -1.495 -7.100 3.321 192 HA GLU 28 HA GLU 28 0.844 -8.030 4.732 193 1HB GLU 28 2HB GLU 28 0.294 -5.256 3.678 194 2HB GLU 28 1HB GLU 28 1.826 -5.809 4.352 195 1HG GLU 28 2HG GLU 28 1.687 -7.680 2.585 196 2HG GLU 28 1HG GLU 28 0.467 -6.694 1.837 197 H HIS 29 H HIS 29 -2.095 -6.668 5.510 198 HA HIS 29 HA HIS 29 -3.084 -6.046 7.343 199 1HB HIS 29 2HB HIS 29 -0.975 -7.798 8.584 200 2HB HIS 29 1HB HIS 29 -2.242 -7.045 9.550 201 HD1 HIS 29 1HD HIS 29 -4.693 -7.864 9.105 202 HD2 HIS 29 2HD HIS 29 -1.779 -9.966 7.036 203 HE1 HIS 29 1HE HIS 29 -5.830 -9.927 8.255 204 HE2 HIS 29 2HE HIS 29 -4.176 -10.772 6.602 205 H LEU 30 H LEU 30 -1.673 -4.075 6.406 206 HA LEU 30 HA LEU 30 -0.486 -2.716 8.714 207 1HB LEU 30 2HB LEU 30 -0.292 -2.109 5.762 208 2HB LEU 30 1HB LEU 30 0.430 -1.126 7.022 209 HG LEU 30 HG LEU 30 1.174 -3.987 6.375 210 1HD1 LEU 30 1HD1 LEU 30 3.296 -3.033 5.636 211 2HD1 LEU 30 2HD1 LEU 30 2.652 -1.410 5.901 212 3HD1 LEU 30 3HD1 LEU 30 1.941 -2.453 4.671 213 1HD2 LEU 30 1HD2 LEU 30 1.457 -3.539 8.749 214 2HD2 LEU 30 2HD2 LEU 30 2.344 -2.062 8.384 215 3HD2 LEU 30 3HD2 LEU 30 3.029 -3.627 7.951 216 H ARG 31 H ARG 31 -0.889 -0.076 7.877 217 HA ARG 31 HA ARG 31 -3.365 0.423 9.058 218 1HB ARG 31 2HB ARG 31 -1.429 1.999 9.049 219 2HB ARG 31 1HB ARG 31 -1.674 2.249 7.381 220 1HG ARG 31 2HG ARG 31 -2.616 4.138 8.436 221 2HG ARG 31 1HG ARG 31 -3.956 3.160 7.851 222 1HD ARG 31 2HD ARG 31 -2.910 3.131 10.661 223 2HD ARG 31 1HD ARG 31 -4.273 4.125 10.143 224 HE ARG 31 HE ARG 31 -4.686 1.353 9.569 225 1HH1 ARG 31 1HH1 ARG 31 -4.863 3.731 12.178 226 2HH1 ARG 31 2HH1 ARG 31 -5.924 2.808 13.131 227 1HH2 ARG 31 1HH2 ARG 31 -6.094 0.084 10.853 228 2HH2 ARG 31 2HH2 ARG 31 -6.663 0.642 12.347 229 H SER 32 H SER 32 -2.391 1.139 5.714 230 HA SER 32 HA SER 32 -4.869 0.364 4.515 231 1HB SER 32 2HB SER 32 -4.131 3.311 4.561 232 2HB SER 32 1HB SER 32 -5.480 2.587 3.707 233 HG SER 32 HG SER 32 -5.592 1.910 6.297 234 H GLY 33 H GLY 33 -4.636 1.501 2.173 235 1HA GLY 33 2HA GLY 33 -1.845 1.609 1.435 236 2HA GLY 33 1HA GLY 33 -2.823 0.334 0.706 237 H ARG 34 H ARG 34 -1.506 2.865 -0.235 238 HA ARG 34 HA ARG 34 -3.816 3.763 -1.754 239 1HB ARG 34 2HB ARG 34 -1.745 5.503 -0.475 240 2HB ARG 34 1HB ARG 34 -2.659 6.025 -1.888 241 1HG ARG 34 2HG ARG 34 -4.666 5.667 -0.770 242 2HG ARG 34 1HG ARG 34 -3.855 5.152 0.726 243 1HD ARG 34 2HD ARG 34 -3.738 7.876 -0.597 244 2HD ARG 34 1HD ARG 34 -4.510 7.493 0.938 245 HE ARG 34 HE ARG 34 -1.733 6.839 1.011 246 1HH1 ARG 34 1HH1 ARG 34 -3.945 9.603 1.242 247 2HH1 ARG 34 2HH1 ARG 34 -2.807 10.599 2.020 248 1HH2 ARG 34 1HH2 ARG 34 -0.267 8.108 2.008 249 2HH2 ARG 34 2HH2 ARG 34 -0.580 9.733 2.489 250 H CYS 35 H CYS 35 -3.613 4.364 -3.653 251 HA CYS 35 HA CYS 35 -1.269 3.164 -4.945 252 1HB CYS 35 2HB CYS 35 -3.581 2.273 -5.360 253 2HB CYS 35 1HB CYS 35 -3.938 3.789 -6.177 254 H ARG 36 H ARG 36 0.137 4.639 -5.544 255 HA ARG 36 HA ARG 36 -0.901 7.318 -5.946 256 1HB ARG 36 2HB ARG 36 1.963 6.627 -5.390 257 2HB ARG 36 1HB ARG 36 1.210 8.216 -5.320 258 1HG ARG 36 2HG ARG 36 -0.309 7.234 -3.546 259 2HG ARG 36 1HG ARG 36 0.809 5.888 -3.509 260 1HD ARG 36 2HD ARG 36 1.236 8.753 -2.702 261 2HD ARG 36 1HD ARG 36 1.584 7.285 -1.789 262 HE ARG 36 HE ARG 36 3.170 7.600 -4.161 263 1HH1 ARG 36 1HH1 ARG 36 3.007 7.932 -0.631 264 2HH1 ARG 36 2HH1 ARG 36 4.605 8.518 -0.486 265 1HH2 ARG 36 1HH2 ARG 36 5.388 8.388 -3.932 266 2HH2 ARG 36 2HH2 ARG 36 5.972 8.783 -2.379 267 H ASP 37 H ASP 37 0.822 8.654 -7.389 268 HA ASP 37 HA ASP 37 0.547 7.796 -10.073 269 1HB ASP 37 2HB ASP 37 0.567 10.149 -9.475 270 2HB ASP 37 1HB ASP 37 2.185 10.006 -8.819 271 H ASP 38 H ASP 38 2.669 6.827 -7.836 272 HA ASP 38 HA ASP 38 5.057 6.296 -9.314 273 1HB ASP 38 2HB ASP 38 3.946 4.908 -6.861 274 2HB ASP 38 1HB ASP 38 5.601 4.802 -7.445 275 H PHE 39 H PHE 39 1.917 4.994 -9.254 276 HA PHE 39 HA PHE 39 0.828 3.273 -10.171 277 1HB PHE 39 2HB PHE 39 3.424 2.707 -11.638 278 2HB PHE 39 1HB PHE 39 1.915 1.869 -11.943 279 HD1 PHE 39 1HD PHE 39 -0.073 3.254 -12.709 280 HD2 PHE 39 2HD PHE 39 3.928 4.692 -12.724 281 HE1 PHE 39 1HE PHE 39 -0.697 4.967 -14.357 282 HE2 PHE 39 2HE PHE 39 3.308 6.409 -14.365 283 HZ PHE 39 HZ PHE 39 0.996 6.547 -15.187 284 H ARG 40 H ARG 40 2.490 3.093 -7.772 285 HA ARG 40 HA ARG 40 2.491 0.183 -7.557 286 1HB ARG 40 2HB ARG 40 4.467 2.061 -6.221 287 2HB ARG 40 1HB ARG 40 4.365 0.328 -5.975 288 1HG ARG 40 2HG ARG 40 4.885 -0.013 -8.366 289 2HG ARG 40 1HG ARG 40 5.076 1.731 -8.534 290 1HD ARG 40 2HD ARG 40 7.231 0.732 -8.256 291 2HD ARG 40 1HD ARG 40 6.841 1.655 -6.806 292 HE ARG 40 HE ARG 40 6.049 -1.037 -6.538 293 1HH1 ARG 40 1HH1 ARG 40 8.869 1.092 -6.333 294 2HH1 ARG 40 2HH1 ARG 40 9.807 -0.014 -5.442 295 1HH2 ARG 40 1HH2 ARG 40 7.367 -2.533 -5.267 296 2HH2 ARG 40 2HH2 ARG 40 8.961 -2.074 -4.830 297 H CYS 41 H CYS 41 2.139 -0.570 -5.395 298 HA CYS 41 HA CYS 41 0.078 0.929 -4.094 299 1HB CYS 41 2HB CYS 41 -0.289 -1.331 -4.624 300 2HB CYS 41 1HB CYS 41 1.184 -1.873 -3.805 301 H TRP 42 H TRP 42 0.423 2.083 -2.356 302 HA TRP 42 HA TRP 42 2.914 1.791 -0.849 303 1HB TRP 42 2HB TRP 42 1.183 4.152 -1.536 304 2HB TRP 42 1HB TRP 42 2.294 4.200 -0.182 305 HD1 TRP 42 HD TRP 42 2.367 3.740 -4.031 306 HE1 TRP 42 1HE TRP 42 4.660 4.605 -4.861 307 HE3 TRP 42 3HE TRP 42 4.516 4.822 0.465 308 HZ2 TRP 42 2HZ TRP 42 7.042 5.590 -3.754 309 HZ3 TRP 42 3HZ TRP 42 6.739 5.711 0.530 310 HH2 TRP 42 HH TRP 42 8.027 6.106 -1.547 311 H CYS 43 H CYS 43 2.467 0.743 0.975 312 HA CYS 43 HA CYS 43 -0.167 0.832 2.187 313 1HB CYS 43 2HB CYS 43 2.347 -0.611 3.047 314 2HB CYS 43 1HB CYS 43 0.738 -0.823 3.722 315 H THR 44 H THR 44 -0.620 2.014 3.990 316 HA THR 44 HA THR 44 1.444 3.786 4.978 317 HB THR 44 HB THR 44 -1.502 3.637 5.715 318 HG1 THR 44 1HG THR 44 -0.312 4.962 3.451 319 1HG2 THR 44 1HG2 THR 44 0.485 5.924 5.737 320 2HG2 THR 44 2HG2 THR 44 -0.076 5.030 7.152 321 3HG2 THR 44 3HG2 THR 44 -1.205 6.023 6.237 322 H ARG 45 H ARG 45 2.059 3.534 7.210 323 HA ARG 45 HA ARG 45 0.661 1.424 8.669 324 1HB ARG 45 2HB ARG 45 2.640 0.381 9.429 325 2HB ARG 45 1HB ARG 45 2.909 0.605 7.711 326 1HG ARG 45 2HG ARG 45 4.327 2.538 8.169 327 2HG ARG 45 1HG ARG 45 4.011 2.377 9.898 328 1HD ARG 45 2HD ARG 45 4.964 0.027 9.690 329 2HD ARG 45 1HD ARG 45 5.530 0.513 8.094 330 HE ARG 45 HE ARG 45 6.278 2.099 10.440 331 1HH1 ARG 45 1HH1 ARG 45 7.345 0.040 7.729 332 2HH1 ARG 45 2HH1 ARG 45 8.987 0.195 8.090 333 1HH2 ARG 45 1HH2 ARG 45 8.520 2.325 10.912 334 2HH2 ARG 45 2HH2 ARG 45 9.686 1.555 9.927 335 H ASN 46 H ASN 46 0.883 1.644 10.983 336 HA ASN 46 HA ASN 46 0.725 4.242 11.922 337 1HB ASN 46 2HB ASN 46 1.140 1.596 13.279 338 2HB ASN 46 1HB ASN 46 0.688 3.103 14.055 339 1HD2 ASN 46 1HD2 ASN 46 -0.688 0.568 13.970 340 2HD2 ASN 46 2HD2 ASN 46 -2.226 0.841 13.239 341 H CYS 47 H CYS 47 2.327 5.488 12.859 342 HA CYS 47 HA CYS 47 4.635 4.343 13.938 343 1HB CYS 47 2HB CYS 47 6.306 5.450 12.542 344 2HB CYS 47 1HB CYS 47 5.299 4.472 11.490 Start of MODEL 13 1 1H LYS 1 1HT LYS 1 3.046 12.211 11.472 2 2H LYS 1 2HT LYS 1 2.630 12.477 13.060 3 3H LYS 1 3HT LYS 1 1.413 12.308 11.862 4 HA LYS 1 HA LYS 1 3.335 10.241 12.747 5 1HB LYS 1 2HB LYS 1 0.290 10.212 12.952 6 2HB LYS 1 1HB LYS 1 1.376 8.939 13.428 7 1HG LYS 1 2HG LYS 1 0.699 9.921 15.439 8 2HG LYS 1 1HG LYS 1 2.318 10.541 15.163 9 1HD LYS 1 2HD LYS 1 0.907 12.324 15.949 10 2HD LYS 1 1HD LYS 1 1.315 12.627 14.264 11 1HE LYS 1 2HE LYS 1 -0.885 11.737 13.580 12 2HE LYS 1 1HE LYS 1 -1.260 11.423 15.273 13 1HZ LYS 1 1HZ LYS 1 -2.253 13.483 14.469 14 2HZ LYS 1 2HZ LYS 1 -0.722 14.090 14.101 15 3HZ LYS 1 3HZ LYS 1 -1.138 13.780 15.705 16 H THR 2 H THR 2 2.178 8.091 11.931 17 HA THR 2 HA THR 2 1.780 6.659 10.359 18 HB THR 2 HB THR 2 0.464 7.167 8.293 19 HG1 THR 2 1HG THR 2 1.046 9.728 8.979 20 1HG2 THR 2 1HG2 THR 2 -0.666 6.509 10.345 21 2HG2 THR 2 2HG2 THR 2 -1.641 7.664 9.449 22 3HG2 THR 2 3HG2 THR 2 -0.733 8.192 10.865 23 H CYS 3 H CYS 3 2.870 5.600 8.963 24 HA CYS 3 HA CYS 3 4.804 7.074 7.342 25 1HB CYS 3 2HB CYS 3 5.230 4.490 8.879 26 2HB CYS 3 1HB CYS 3 6.372 5.162 7.723 27 H GLU 4 H GLU 4 5.302 5.956 5.298 28 HA GLU 4 HA GLU 4 3.312 3.930 4.657 29 1HB GLU 4 2HB GLU 4 2.651 6.287 3.938 30 2HB GLU 4 1HB GLU 4 4.038 6.245 2.875 31 1HG GLU 4 2HG GLU 4 3.118 4.371 1.677 32 2HG GLU 4 1HG GLU 4 1.770 4.306 2.801 33 H ASN 5 H ASN 5 4.005 2.459 3.106 34 HA ASN 5 HA ASN 5 6.546 2.744 1.769 35 1HB ASN 5 2HB ASN 5 6.994 1.808 4.199 36 2HB ASN 5 1HB ASN 5 6.199 0.366 3.566 37 1HD2 ASN 5 1HD2 ASN 5 8.988 2.419 3.319 38 2HD2 ASN 5 2HD2 ASN 5 9.985 1.307 2.464 39 H LEU 6 H LEU 6 6.881 0.810 0.429 40 HA LEU 6 HA LEU 6 4.720 0.464 -1.229 41 1HB LEU 6 2HB LEU 6 7.302 -0.927 -0.798 42 2HB LEU 6 1HB LEU 6 6.218 -1.236 -2.129 43 HG LEU 6 HG LEU 6 7.459 1.461 -1.611 44 1HD1 LEU 6 1HD1 LEU 6 8.333 -0.755 -3.456 45 2HD1 LEU 6 2HD1 LEU 6 9.216 -0.169 -2.040 46 3HD1 LEU 6 3HD1 LEU 6 8.973 0.883 -3.437 47 1HD2 LEU 6 1HD2 LEU 6 5.419 1.470 -2.953 48 2HD2 LEU 6 2HD2 LEU 6 6.118 0.249 -4.019 49 3HD2 LEU 6 3HD2 LEU 6 6.834 1.855 -3.930 50 H ALA 7 H ALA 7 3.330 -1.236 -1.455 51 HA ALA 7 HA ALA 7 3.057 -3.174 0.632 52 1HB ALA 7 1HB ALA 7 1.107 -2.465 -0.647 53 2HB ALA 7 2HB ALA 7 1.398 -4.186 -0.915 54 3HB ALA 7 3HB ALA 7 1.869 -3.008 -2.139 55 H ASN 8 H ASN 8 4.515 -4.701 0.812 56 HA ASN 8 HA ASN 8 6.272 -5.141 -1.424 57 1HB ASN 8 2HB ASN 8 7.729 -6.441 0.088 58 2HB ASN 8 1HB ASN 8 7.382 -4.830 0.692 59 1HD2 ASN 8 1HD2 ASN 8 6.175 -4.607 2.553 60 2HD2 ASN 8 2HD2 ASN 8 5.813 -5.918 3.594 61 H THR 9 H THR 9 3.478 -6.601 -0.490 62 HA THR 9 HA THR 9 4.358 -8.867 -2.088 63 HB THR 9 HB THR 9 2.286 -10.095 -1.142 64 HG1 THR 9 1HG THR 9 2.557 -7.919 0.652 65 1HG2 THR 9 1HG2 THR 9 4.552 -10.785 -0.652 66 2HG2 THR 9 2HG2 THR 9 3.588 -10.864 0.824 67 3HG2 THR 9 3HG2 THR 9 4.707 -9.524 0.566 68 H TYR 10 H TYR 10 3.036 -6.176 -2.620 69 HA TYR 10 HA TYR 10 0.950 -7.216 -4.415 70 1HB TYR 10 2HB TYR 10 0.405 -5.244 -2.928 71 2HB TYR 10 1HB TYR 10 1.586 -4.305 -3.828 72 HD1 TYR 10 1HD TYR 10 1.088 -4.268 -6.498 73 HD2 TYR 10 2HD TYR 10 -1.822 -5.050 -3.495 74 HE1 TYR 10 1HE TYR 10 -0.687 -3.538 -8.036 75 HE2 TYR 10 2HE TYR 10 -3.604 -4.340 -5.033 76 HH TYR 10 HH TYR 10 -3.138 -3.923 -8.331 77 H ARG 11 H ARG 11 2.232 -8.065 -5.856 78 HA ARG 11 HA ARG 11 4.421 -6.502 -6.947 79 1HB ARG 11 2HB ARG 11 4.786 -8.849 -6.191 80 2HB ARG 11 1HB ARG 11 3.685 -9.379 -7.452 81 1HG ARG 11 2HG ARG 11 5.185 -8.542 -9.155 82 2HG ARG 11 1HG ARG 11 6.265 -7.915 -7.904 83 1HD ARG 11 2HD ARG 11 5.543 -10.805 -8.328 84 2HD ARG 11 1HD ARG 11 7.063 -10.046 -8.793 85 HE ARG 11 HE ARG 11 6.998 -9.510 -6.188 86 1HH1 ARG 11 1HH1 ARG 11 6.400 -12.554 -7.912 87 2HH1 ARG 11 2HH1 ARG 11 6.914 -13.537 -6.617 88 1HH2 ARG 11 1HH2 ARG 11 7.752 -10.887 -4.440 89 2HH2 ARG 11 2HH2 ARG 11 7.666 -12.581 -4.610 90 H GLY 12 H GLY 12 4.366 -5.657 -8.903 91 1HA GLY 12 2HA GLY 12 3.687 -5.862 -11.229 92 2HA GLY 12 1HA GLY 12 2.097 -6.345 -10.640 93 HA PRO 13 HA PRO 13 2.213 -1.724 -11.152 94 1HB PRO 13 2HB PRO 13 0.264 -1.895 -13.263 95 2HB PRO 13 1HB PRO 13 1.923 -1.307 -13.362 96 1HG PRO 13 2HG PRO 13 1.023 -3.608 -14.571 97 2HG PRO 13 1HG PRO 13 2.710 -3.303 -14.128 98 1HD PRO 13 2HD PRO 13 0.640 -4.918 -12.698 99 2HD PRO 13 1HD PRO 13 2.374 -5.249 -12.925 100 H CYS 14 H CYS 14 0.915 -0.634 -9.945 101 HA CYS 14 HA CYS 14 -1.675 -1.669 -9.160 102 1HB CYS 14 2HB CYS 14 -0.144 -0.982 -7.394 103 2HB CYS 14 1HB CYS 14 0.036 0.602 -8.136 104 H PHE 15 H PHE 15 -3.499 -0.459 -9.442 105 HA PHE 15 HA PHE 15 -3.266 1.833 -11.263 106 1HB PHE 15 2HB PHE 15 -5.346 -0.353 -11.491 107 2HB PHE 15 1HB PHE 15 -5.204 1.060 -12.530 108 HD1 PHE 15 1HD PHE 15 -4.172 -2.308 -11.978 109 HD2 PHE 15 2HD PHE 15 -3.061 1.313 -13.903 110 HE1 PHE 15 1HE PHE 15 -2.638 -3.554 -13.430 111 HE2 PHE 15 2HE PHE 15 -1.529 0.075 -15.362 112 HZ PHE 15 HZ PHE 15 -1.313 -2.366 -15.125 113 H THR 16 H THR 16 -5.529 0.126 -9.064 114 HA THR 16 HA THR 16 -6.728 2.707 -8.473 115 HB THR 16 HB THR 16 -8.575 1.079 -7.606 116 HG1 THR 16 1HG THR 16 -7.923 -0.957 -7.939 117 1HG2 THR 16 1HG2 THR 16 -8.864 2.619 -9.505 118 2HG2 THR 16 2HG2 THR 16 -9.577 1.050 -9.880 119 3HG2 THR 16 3HG2 THR 16 -8.006 1.492 -10.548 120 H THR 17 H THR 17 -6.866 3.412 -6.419 121 HA THR 17 HA THR 17 -5.164 2.474 -4.438 122 HB THR 17 HB THR 17 -7.451 4.420 -4.425 123 HG1 THR 17 1HG THR 17 -5.908 5.446 -5.329 124 1HG2 THR 17 1HG2 THR 17 -6.583 5.207 -2.186 125 2HG2 THR 17 2HG2 THR 17 -5.639 3.708 -2.093 126 3HG2 THR 17 3HG2 THR 17 -7.386 3.648 -2.160 127 H GLY 18 H GLY 18 -8.562 1.788 -5.014 128 1HA GLY 18 2HA GLY 18 -9.151 0.638 -2.528 129 2HA GLY 18 1HA GLY 18 -9.980 0.289 -4.036 130 H SER 19 H SER 19 -7.548 -0.720 -5.336 131 HA SER 19 HA SER 19 -7.765 -3.437 -4.485 132 1HB SER 19 2HB SER 19 -5.806 -2.210 -6.438 133 2HB SER 19 1HB SER 19 -6.367 -3.886 -6.391 134 HG SER 19 HG SER 19 -7.873 -3.259 -7.678 135 H CYS 20 H CYS 20 -5.487 -0.828 -4.255 136 HA CYS 20 HA CYS 20 -3.332 -2.256 -3.094 137 1HB CYS 20 2HB CYS 20 -3.113 0.005 -4.234 138 2HB CYS 20 1HB CYS 20 -4.054 0.673 -2.954 139 H ASP 21 H ASP 21 -5.895 -0.190 -1.838 140 HA ASP 21 HA ASP 21 -5.397 -0.233 0.885 141 1HB ASP 21 2HB ASP 21 -6.894 1.314 -0.103 142 2HB ASP 21 1HB ASP 21 -7.972 0.042 -0.692 143 H ASP 22 H ASP 22 -7.517 -2.355 -1.018 144 HA ASP 22 HA ASP 22 -8.374 -3.996 1.069 145 1HB ASP 22 2HB ASP 22 -9.401 -4.074 -1.154 146 2HB ASP 22 1HB ASP 22 -7.920 -4.751 -1.824 147 H HIS 23 H HIS 23 -5.647 -4.407 -1.121 148 HA HIS 23 HA HIS 23 -4.685 -6.814 -0.069 149 1HB HIS 23 2HB HIS 23 -3.899 -6.101 -2.217 150 2HB HIS 23 1HB HIS 23 -3.294 -4.587 -1.559 151 HD1 HIS 23 1HD HIS 23 -2.428 -8.255 -1.808 152 HD2 HIS 23 2HD HIS 23 -0.772 -4.699 -0.437 153 HE1 HIS 23 1HE HIS 23 -0.055 -8.781 -1.253 154 HE2 HIS 23 2HE HIS 23 0.843 -6.642 -0.207 155 H CYS 24 H CYS 24 -3.783 -3.485 0.731 156 HA CYS 24 HA CYS 24 -1.770 -4.166 2.561 157 1HB CYS 24 2HB CYS 24 -3.414 -1.670 2.241 158 2HB CYS 24 1HB CYS 24 -2.053 -1.778 3.347 159 H LYS 25 H LYS 25 -5.301 -3.677 3.059 160 HA LYS 25 HA LYS 25 -5.101 -3.816 5.844 161 1HB LYS 25 2HB LYS 25 -7.252 -4.007 3.793 162 2HB LYS 25 1HB LYS 25 -7.572 -4.230 5.495 163 1HG LYS 25 2HG LYS 25 -6.859 -1.970 5.969 164 2HG LYS 25 1HG LYS 25 -6.322 -1.767 4.299 165 1HD LYS 25 2HD LYS 25 -8.608 -2.015 3.513 166 2HD LYS 25 1HD LYS 25 -9.159 -2.292 5.164 167 1HE LYS 25 2HE LYS 25 -8.580 -0.060 5.799 168 2HE LYS 25 1HE LYS 25 -7.773 0.221 4.259 169 1HZ LYS 25 1HZ LYS 25 -10.681 -0.313 4.549 170 2HZ LYS 25 2HZ LYS 25 -9.822 0.053 3.127 171 3HZ LYS 25 3HZ LYS 25 -9.993 1.217 4.315 172 H ASN 26 H ASN 26 -6.218 -6.110 3.288 173 HA ASN 26 HA ASN 26 -6.923 -8.178 5.005 174 1HB ASN 26 2HB ASN 26 -7.826 -7.911 2.793 175 2HB ASN 26 1HB ASN 26 -6.226 -8.060 2.085 176 1HD2 ASN 26 1HD2 ASN 26 -6.715 -9.755 0.828 177 2HD2 ASN 26 2HD2 ASN 26 -7.022 -11.329 1.453 178 H LYS 27 H LYS 27 -4.012 -7.711 2.986 179 HA LYS 27 HA LYS 27 -2.961 -10.202 4.070 180 1HB LYS 27 2HB LYS 27 -3.041 -9.748 1.585 181 2HB LYS 27 1HB LYS 27 -1.812 -8.526 1.830 182 1HG LYS 27 2HG LYS 27 -1.438 -11.461 2.481 183 2HG LYS 27 1HG LYS 27 -0.956 -10.720 0.964 184 1HD LYS 27 2HD LYS 27 0.639 -9.327 2.123 185 2HD LYS 27 1HD LYS 27 0.083 -9.932 3.684 186 1HE LYS 27 2HE LYS 27 0.776 -12.200 2.979 187 2HE LYS 27 1HE LYS 27 1.441 -11.501 1.503 188 1HZ LYS 27 1HZ LYS 27 2.955 -10.193 2.827 189 2HZ LYS 27 2HZ LYS 27 3.100 -11.826 3.272 190 3HZ LYS 27 3HZ LYS 27 2.244 -10.760 4.243 191 H GLU 28 H GLU 28 -1.977 -6.773 3.729 192 HA GLU 28 HA GLU 28 0.396 -7.556 5.148 193 1HB GLU 28 2HB GLU 28 -0.139 -4.916 3.777 194 2HB GLU 28 1HB GLU 28 1.396 -5.369 4.530 195 1HG GLU 28 2HG GLU 28 1.226 -7.468 3.025 196 2HG GLU 28 1HG GLU 28 0.071 -6.539 2.115 197 H HIS 29 H HIS 29 -2.493 -6.464 5.930 198 HA HIS 29 HA HIS 29 -3.496 -6.124 7.877 199 1HB HIS 29 2HB HIS 29 -0.819 -6.685 9.189 200 2HB HIS 29 1HB HIS 29 -2.383 -6.745 9.982 201 HD1 HIS 29 1HD HIS 29 0.065 -8.899 8.673 202 HD2 HIS 29 2HD HIS 29 -4.081 -8.869 8.469 203 HE1 HIS 29 1HE HIS 29 -0.587 -11.224 8.053 204 HE2 HIS 29 2HE HIS 29 -3.039 -11.089 7.625 205 H LEU 30 H LEU 30 -2.173 -3.921 6.507 206 HA LEU 30 HA LEU 30 -1.397 -2.208 8.717 207 1HB LEU 30 2HB LEU 30 -1.008 -1.825 5.755 208 2HB LEU 30 1HB LEU 30 -0.478 -0.686 6.979 209 HG LEU 30 HG LEU 30 0.536 -3.513 6.617 210 1HD1 LEU 30 1HD1 LEU 30 1.869 -0.867 6.147 211 2HD1 LEU 30 2HD1 LEU 30 1.447 -2.098 4.948 212 3HD1 LEU 30 3HD1 LEU 30 2.682 -2.429 6.155 213 1HD2 LEU 30 1HD2 LEU 30 1.295 -1.454 8.688 214 2HD2 LEU 30 2HD2 LEU 30 2.176 -2.943 8.367 215 3HD2 LEU 30 3HD2 LEU 30 0.524 -3.017 8.973 216 H ARG 31 H ARG 31 -1.957 0.294 7.661 217 HA ARG 31 HA ARG 31 -4.555 0.602 8.792 218 1HB ARG 31 2HB ARG 31 -2.423 2.196 8.656 219 2HB ARG 31 1HB ARG 31 -3.147 2.665 7.187 220 1HG ARG 31 2HG ARG 31 -5.178 3.423 8.256 221 2HG ARG 31 1HG ARG 31 -4.543 2.918 9.831 222 1HD ARG 31 2HD ARG 31 -2.640 4.435 9.534 223 2HD ARG 31 1HD ARG 31 -3.308 4.976 8.001 224 HE ARG 31 HE ARG 31 -4.715 5.312 10.551 225 1HH1 ARG 31 1HH1 ARG 31 -3.747 6.626 7.416 226 2HH1 ARG 31 2HH1 ARG 31 -4.125 8.237 7.779 227 1HH2 ARG 31 1HH2 ARG 31 -5.292 7.566 11.056 228 2HH2 ARG 31 2HH2 ARG 31 -5.079 8.768 9.880 229 H SER 32 H SER 32 -3.260 1.322 5.566 230 HA SER 32 HA SER 32 -5.650 0.612 4.124 231 1HB SER 32 2HB SER 32 -4.712 3.494 4.103 232 2HB SER 32 1HB SER 32 -6.089 2.801 3.260 233 HG SER 32 HG SER 32 -6.502 2.276 5.784 234 H GLY 33 H GLY 33 -5.099 1.615 1.777 235 1HA GLY 33 2HA GLY 33 -2.244 1.551 1.354 236 2HA GLY 33 1HA GLY 33 -3.222 0.330 0.534 237 H ARG 34 H ARG 34 -1.658 2.749 -0.319 238 HA ARG 34 HA ARG 34 -3.777 3.852 -2.005 239 1HB ARG 34 2HB ARG 34 -1.632 5.381 -0.586 240 2HB ARG 34 1HB ARG 34 -2.400 5.957 -2.068 241 1HG ARG 34 2HG ARG 34 -4.482 5.909 -1.102 242 2HG ARG 34 1HG ARG 34 -3.895 5.226 0.426 243 1HD ARG 34 2HD ARG 34 -3.205 7.948 -0.726 244 2HD ARG 34 1HD ARG 34 -4.234 7.651 0.672 245 HE ARG 34 HE ARG 34 -1.430 6.765 0.751 246 1HH1 ARG 34 1HH1 ARG 34 -3.924 8.965 2.025 247 2HH1 ARG 34 2HH1 ARG 34 -2.936 9.461 3.326 248 1HH2 ARG 34 1HH2 ARG 34 -0.199 7.450 2.449 249 2HH2 ARG 34 2HH2 ARG 34 -0.755 8.638 3.577 250 H CYS 35 H CYS 35 -3.437 4.340 -3.851 251 HA CYS 35 HA CYS 35 -1.190 2.857 -4.982 252 1HB CYS 35 2HB CYS 35 -3.582 2.381 -5.637 253 2HB CYS 35 1HB CYS 35 -3.583 3.946 -6.447 254 H ARG 36 H ARG 36 0.441 3.963 -5.833 255 HA ARG 36 HA ARG 36 -0.039 6.800 -6.148 256 1HB ARG 36 2HB ARG 36 2.471 5.385 -5.250 257 2HB ARG 36 1HB ARG 36 2.416 7.103 -5.656 258 1HG ARG 36 2HG ARG 36 0.782 7.525 -3.949 259 2HG ARG 36 1HG ARG 36 0.627 5.818 -3.611 260 1HD ARG 36 2HD ARG 36 1.927 7.002 -1.907 261 2HD ARG 36 1HD ARG 36 2.855 5.757 -2.718 262 HE ARG 36 HE ARG 36 3.421 8.082 -4.049 263 1HH1 ARG 36 1HH1 ARG 36 3.562 7.082 -0.639 264 2HH1 ARG 36 2HH1 ARG 36 5.033 7.876 -0.341 265 1HH2 ARG 36 1HH2 ARG 36 5.454 9.134 -3.627 266 2HH2 ARG 36 2HH2 ARG 36 6.142 9.058 -2.064 267 H ASP 37 H ASP 37 1.505 7.895 -7.640 268 HA ASP 37 HA ASP 37 0.619 7.057 -10.188 269 1HB ASP 37 2HB ASP 37 0.841 9.409 -9.391 270 2HB ASP 37 1HB ASP 37 2.583 9.253 -9.546 271 H ASP 38 H ASP 38 3.378 6.185 -8.537 272 HA ASP 38 HA ASP 38 4.995 5.699 -10.905 273 1HB ASP 38 2HB ASP 38 6.004 6.441 -8.724 274 2HB ASP 38 1HB ASP 38 5.548 4.889 -8.039 275 H PHE 39 H PHE 39 2.365 4.334 -9.958 276 HA PHE 39 HA PHE 39 1.261 2.461 -10.481 277 1HB PHE 39 2HB PHE 39 3.823 1.650 -11.857 278 2HB PHE 39 1HB PHE 39 2.395 0.633 -11.834 279 HD1 PHE 39 1HD PHE 39 4.060 3.407 -13.392 280 HD2 PHE 39 2HD PHE 39 0.294 1.487 -12.908 281 HE1 PHE 39 1HE PHE 39 3.225 4.545 -15.403 282 HE2 PHE 39 2HE PHE 39 -0.550 2.621 -14.919 283 HZ PHE 39 HZ PHE 39 0.915 4.150 -16.171 284 H ARG 40 H ARG 40 2.915 2.714 -8.015 285 HA ARG 40 HA ARG 40 2.744 -0.130 -7.442 286 1HB ARG 40 2HB ARG 40 4.815 1.737 -6.290 287 2HB ARG 40 1HB ARG 40 4.500 0.123 -5.673 288 1HG ARG 40 2HG ARG 40 4.999 -0.704 -8.026 289 2HG ARG 40 1HG ARG 40 5.628 0.916 -8.334 290 1HD ARG 40 2HD ARG 40 7.446 -0.583 -7.715 291 2HD ARG 40 1HD ARG 40 7.210 0.629 -6.456 292 HE ARG 40 HE ARG 40 5.697 -1.388 -5.564 293 1HH1 ARG 40 1HH1 ARG 40 9.069 -1.433 -6.683 294 2HH1 ARG 40 2HH1 ARG 40 9.504 -2.721 -5.655 295 1HH2 ARG 40 1HH2 ARG 40 6.326 -3.128 -4.202 296 2HH2 ARG 40 2HH2 ARG 40 7.945 -3.696 -4.229 297 H CYS 41 H CYS 41 2.045 -0.807 -5.506 298 HA CYS 41 HA CYS 41 0.112 0.880 -4.236 299 1HB CYS 41 2HB CYS 41 -0.472 -1.335 -4.770 300 2HB CYS 41 1HB CYS 41 0.950 -2.008 -3.984 301 H TRP 42 H TRP 42 0.375 1.829 -2.328 302 HA TRP 42 HA TRP 42 2.775 1.262 -0.747 303 1HB TRP 42 2HB TRP 42 1.371 3.849 -1.384 304 2HB TRP 42 1HB TRP 42 2.458 3.682 -0.021 305 HD1 TRP 42 HD TRP 42 2.568 3.384 -3.911 306 HE1 TRP 42 1HE TRP 42 4.929 4.123 -4.657 307 HE3 TRP 42 3HE TRP 42 4.706 4.147 0.672 308 HZ2 TRP 42 2HZ TRP 42 7.329 4.940 -3.468 309 HZ3 TRP 42 3HZ TRP 42 6.996 4.923 0.786 310 HH2 TRP 42 HH TRP 42 8.302 5.313 -1.251 311 H CYS 43 H CYS 43 2.232 0.526 1.196 312 HA CYS 43 HA CYS 43 -0.520 0.728 2.076 313 1HB CYS 43 2HB CYS 43 1.837 -0.745 3.250 314 2HB CYS 43 1HB CYS 43 0.176 -0.831 3.831 315 H THR 44 H THR 44 -1.152 2.075 3.696 316 HA THR 44 HA THR 44 0.847 3.890 4.751 317 HB THR 44 HB THR 44 -2.174 3.949 5.058 318 HG1 THR 44 1HG THR 44 -0.591 5.025 2.895 319 1HG2 THR 44 1HG2 THR 44 -0.892 5.428 6.538 320 2HG2 THR 44 2HG2 THR 44 -1.808 6.368 5.358 321 3HG2 THR 44 3HG2 THR 44 -0.073 6.132 5.143 322 H ARG 45 H ARG 45 1.333 3.721 6.977 323 HA ARG 45 HA ARG 45 -0.399 1.962 8.505 324 1HB ARG 45 2HB ARG 45 1.543 0.803 9.483 325 2HB ARG 45 1HB ARG 45 1.344 0.511 7.765 326 1HG ARG 45 2HG ARG 45 3.179 2.133 7.314 327 2HG ARG 45 1HG ARG 45 3.367 2.334 9.056 328 1HD ARG 45 2HD ARG 45 3.856 -0.025 9.308 329 2HD ARG 45 1HD ARG 45 3.623 -0.282 7.586 330 HE ARG 45 HE ARG 45 5.566 1.479 7.502 331 1HH1 ARG 45 1HH1 ARG 45 5.238 -1.196 9.801 332 2HH1 ARG 45 2HH1 ARG 45 6.891 -1.542 9.877 333 1HH2 ARG 45 1HH2 ARG 45 7.847 1.029 7.608 334 2HH2 ARG 45 2HH2 ARG 45 8.437 -0.213 8.604 335 H ASN 46 H ASN 46 -0.504 2.334 10.725 336 HA ASN 46 HA ASN 46 0.009 4.890 11.583 337 1HB ASN 46 2HB ASN 46 -0.854 2.315 12.784 338 2HB ASN 46 1HB ASN 46 -0.360 3.619 13.842 339 1HD2 ASN 46 1HD2 ASN 46 -2.957 2.373 13.443 340 2HD2 ASN 46 2HD2 ASN 46 -4.045 3.632 13.008 341 H CYS 47 H CYS 47 1.686 5.708 12.558 342 HA CYS 47 HA CYS 47 3.921 4.164 13.422 343 1HB CYS 47 2HB CYS 47 4.183 3.986 11.022 344 2HB CYS 47 1HB CYS 47 3.898 5.700 10.819 Start of MODEL 14 1 1H LYS 1 1HT LYS 1 5.744 7.404 15.846 2 2H LYS 1 2HT LYS 1 5.622 6.009 14.878 3 3H LYS 1 3HT LYS 1 4.233 6.861 15.288 4 HA LYS 1 HA LYS 1 5.025 8.740 13.958 5 1HB LYS 1 2HB LYS 1 7.101 6.707 13.076 6 2HB LYS 1 1HB LYS 1 6.894 8.307 12.428 7 1HG LYS 1 2HG LYS 1 7.688 7.802 15.292 8 2HG LYS 1 1HG LYS 1 8.844 8.015 13.983 9 1HD LYS 1 2HD LYS 1 6.739 10.057 14.693 10 2HD LYS 1 1HD LYS 1 8.377 10.079 15.345 11 1HE LYS 1 2HE LYS 1 9.283 10.274 13.091 12 2HE LYS 1 1HE LYS 1 7.665 10.205 12.406 13 1HZ LYS 1 1HZ LYS 1 8.453 12.449 12.529 14 2HZ LYS 1 2HZ LYS 1 8.735 12.333 14.174 15 3HZ LYS 1 3HZ LYS 1 7.154 12.271 13.581 16 H THR 2 H THR 2 5.131 8.294 11.389 17 HA THR 2 HA THR 2 3.414 6.013 10.829 18 HB THR 2 HB THR 2 2.299 7.472 9.081 19 HG1 THR 2 1HG THR 2 3.740 9.417 10.528 20 1HG2 THR 2 1HG2 THR 2 0.725 8.520 10.681 21 2HG2 THR 2 2HG2 THR 2 1.871 8.207 11.986 22 3HG2 THR 2 3HG2 THR 2 1.121 6.860 11.125 23 H CYS 3 H CYS 3 3.926 4.945 8.994 24 HA CYS 3 HA CYS 3 6.059 6.046 7.338 25 1HB CYS 3 2HB CYS 3 5.931 3.286 8.589 26 2HB CYS 3 1HB CYS 3 7.065 3.759 7.331 27 H GLU 4 H GLU 4 6.002 5.169 5.163 28 HA GLU 4 HA GLU 4 3.732 3.477 4.572 29 1HB GLU 4 2HB GLU 4 3.097 5.921 4.247 30 2HB GLU 4 1HB GLU 4 4.333 5.986 3.012 31 1HG GLU 4 2HG GLU 4 3.201 4.543 1.614 32 2HG GLU 4 1HG GLU 4 2.141 3.977 2.905 33 H ASN 5 H ASN 5 4.241 1.973 3.138 34 HA ASN 5 HA ASN 5 6.627 2.297 1.484 35 1HB ASN 5 2HB ASN 5 6.216 -0.023 3.398 36 2HB ASN 5 1HB ASN 5 7.394 -0.005 2.097 37 1HD2 ASN 5 1HD2 ASN 5 9.201 1.298 2.301 38 2HD2 ASN 5 2HD2 ASN 5 9.682 1.994 3.795 39 H LEU 6 H LEU 6 6.811 0.652 -0.116 40 HA LEU 6 HA LEU 6 4.486 0.393 -1.567 41 1HB LEU 6 2HB LEU 6 7.195 -0.782 -1.564 42 2HB LEU 6 1HB LEU 6 6.020 -1.203 -2.786 43 HG LEU 6 HG LEU 6 6.897 1.646 -2.284 44 1HD1 LEU 6 1HD1 LEU 6 8.411 1.381 -4.190 45 2HD1 LEU 6 2HD1 LEU 6 8.020 -0.338 -4.263 46 3HD1 LEU 6 3HD1 LEU 6 8.873 0.314 -2.865 47 1HD2 LEU 6 1HD2 LEU 6 5.622 0.261 -4.631 48 2HD2 LEU 6 2HD2 LEU 6 6.081 1.962 -4.562 49 3HD2 LEU 6 3HD2 LEU 6 4.811 1.349 -3.503 50 H ALA 7 H ALA 7 3.069 -1.289 -1.768 51 HA ALA 7 HA ALA 7 2.709 -3.143 0.270 52 1HB ALA 7 1HB ALA 7 1.112 -4.206 -1.287 53 2HB ALA 7 2HB ALA 7 1.734 -3.160 -2.575 54 3HB ALA 7 3HB ALA 7 0.918 -2.457 -1.186 55 H ASN 8 H ASN 8 3.471 -5.090 0.628 56 HA ASN 8 HA ASN 8 5.887 -5.813 -0.720 57 1HB ASN 8 2HB ASN 8 4.419 -7.208 1.524 58 2HB ASN 8 1HB ASN 8 6.037 -7.603 0.961 59 1HD2 ASN 8 1HD2 ASN 8 4.079 -5.332 2.672 60 2HD2 ASN 8 2HD2 ASN 8 5.364 -4.439 3.403 61 H THR 9 H THR 9 2.601 -6.904 -0.697 62 HA THR 9 HA THR 9 3.481 -9.124 -2.391 63 HB THR 9 HB THR 9 1.317 -10.272 -1.724 64 HG1 THR 9 1HG THR 9 1.399 -8.138 0.160 65 1HG2 THR 9 1HG2 THR 9 3.340 -9.665 0.436 66 2HG2 THR 9 2HG2 THR 9 3.508 -10.903 -0.811 67 3HG2 THR 9 3HG2 THR 9 2.237 -11.039 0.403 68 H TYR 10 H TYR 10 2.391 -6.296 -2.864 69 HA TYR 10 HA TYR 10 0.397 -7.078 -4.885 70 1HB TYR 10 2HB TYR 10 -0.167 -5.092 -3.415 71 2HB TYR 10 1HB TYR 10 1.228 -4.272 -4.110 72 HD1 TYR 10 1HD TYR 10 1.196 -3.547 -6.458 73 HD2 TYR 10 2HD TYR 10 -2.220 -5.305 -4.644 74 HE1 TYR 10 1HE TYR 10 -0.188 -2.721 -8.294 75 HE2 TYR 10 2HE TYR 10 -3.624 -4.474 -6.489 76 HH TYR 10 HH TYR 10 -2.235 -3.189 -9.357 77 H ARG 11 H ARG 11 1.361 -7.715 -6.640 78 HA ARG 11 HA ARG 11 3.846 -6.376 -7.397 79 1HB ARG 11 2HB ARG 11 3.916 -8.801 -6.785 80 2HB ARG 11 1HB ARG 11 2.864 -9.115 -8.151 81 1HG ARG 11 2HG ARG 11 4.548 -8.462 -9.695 82 2HG ARG 11 1HG ARG 11 5.570 -7.850 -8.387 83 1HD ARG 11 2HD ARG 11 4.749 -10.724 -8.802 84 2HD ARG 11 1HD ARG 11 6.344 -10.044 -9.115 85 HE ARG 11 HE ARG 11 6.462 -9.529 -6.718 86 1HH1 ARG 11 1HH1 ARG 11 4.244 -12.083 -7.759 87 2HH1 ARG 11 2HH1 ARG 11 4.267 -12.925 -6.284 88 1HH2 ARG 11 1HH2 ARG 11 6.463 -10.675 -4.648 89 2HH2 ARG 11 2HH2 ARG 11 5.561 -12.103 -4.468 90 H GLY 12 H GLY 12 3.893 -5.316 -9.262 91 1HA GLY 12 2HA GLY 12 3.328 -5.165 -11.576 92 2HA GLY 12 1HA GLY 12 1.735 -5.799 -11.182 93 HA PRO 13 HA PRO 13 1.624 -1.085 -11.309 94 1HB PRO 13 2HB PRO 13 -0.397 -1.613 -13.404 95 2HB PRO 13 1HB PRO 13 0.940 -0.457 -13.401 96 1HG PRO 13 2HG PRO 13 1.048 -2.642 -14.916 97 2HG PRO 13 1HG PRO 13 2.489 -2.045 -14.071 98 1HD PRO 13 2HD PRO 13 0.645 -4.275 -13.318 99 2HD PRO 13 1HD PRO 13 2.422 -4.245 -13.315 100 H CYS 14 H CYS 14 0.024 0.117 -10.490 101 HA CYS 14 HA CYS 14 -2.398 -1.189 -9.491 102 1HB CYS 14 2HB CYS 14 -0.821 -0.748 -7.716 103 2HB CYS 14 1HB CYS 14 -0.569 0.884 -8.296 104 H PHE 15 H PHE 15 -4.252 0.047 -9.662 105 HA PHE 15 HA PHE 15 -3.991 2.599 -11.088 106 1HB PHE 15 2HB PHE 15 -6.130 0.496 -11.496 107 2HB PHE 15 1HB PHE 15 -6.095 2.075 -12.264 108 HD1 PHE 15 1HD PHE 15 -4.354 2.594 -13.934 109 HD2 PHE 15 2HD PHE 15 -4.812 -1.310 -12.307 110 HE1 PHE 15 1HE PHE 15 -3.027 1.671 -15.787 111 HE2 PHE 15 2HE PHE 15 -3.484 -2.242 -14.156 112 HZ PHE 15 HZ PHE 15 -2.592 -0.745 -15.900 113 H THR 16 H THR 16 -5.879 0.664 -8.768 114 HA THR 16 HA THR 16 -7.225 3.137 -8.036 115 HB THR 16 HB THR 16 -8.982 1.526 -7.071 116 HG1 THR 16 1HG THR 16 -8.119 -0.216 -9.088 117 1HG2 THR 16 1HG2 THR 16 -8.582 1.805 -10.047 118 2HG2 THR 16 2HG2 THR 16 -9.380 2.974 -8.991 119 3HG2 THR 16 3HG2 THR 16 -10.103 1.389 -9.260 120 H THR 17 H THR 17 -7.034 3.919 -6.126 121 HA THR 17 HA THR 17 -5.343 2.925 -4.151 122 HB THR 17 HB THR 17 -7.395 5.107 -4.265 123 HG1 THR 17 1HG THR 17 -5.597 5.591 -5.390 124 1HG2 THR 17 1HG2 THR 17 -5.653 4.419 -1.893 125 2HG2 THR 17 2HG2 THR 17 -7.403 4.510 -1.948 126 3HG2 THR 17 3HG2 THR 17 -6.443 5.977 -2.122 127 H GLY 18 H GLY 18 -8.825 2.603 -4.638 128 1HA GLY 18 2HA GLY 18 -9.537 1.622 -2.113 129 2HA GLY 18 1HA GLY 18 -10.389 1.297 -3.618 130 H SER 19 H SER 19 -8.176 -0.000 -4.925 131 HA SER 19 HA SER 19 -8.591 -2.631 -3.881 132 1HB SER 19 2HB SER 19 -6.819 -1.680 -6.147 133 2HB SER 19 1HB SER 19 -7.327 -3.344 -5.849 134 HG SER 19 HG SER 19 -8.621 -1.353 -7.124 135 H CYS 20 H CYS 20 -6.065 -0.256 -3.968 136 HA CYS 20 HA CYS 20 -3.973 -1.852 -2.975 137 1HB CYS 20 2HB CYS 20 -3.572 0.350 -4.084 138 2HB CYS 20 1HB CYS 20 -4.413 1.126 -2.792 139 H ASP 21 H ASP 21 -6.302 0.332 -1.345 140 HA ASP 21 HA ASP 21 -5.369 -0.098 1.286 141 1HB ASP 21 2HB ASP 21 -6.836 1.764 0.761 142 2HB ASP 21 1HB ASP 21 -8.151 0.663 0.336 143 H ASP 22 H ASP 22 -7.861 -1.675 -0.598 144 HA ASP 22 HA ASP 22 -8.876 -3.523 1.228 145 1HB ASP 22 2HB ASP 22 -9.809 -3.154 -1.021 146 2HB ASP 22 1HB ASP 22 -8.364 -3.850 -1.737 147 H HIS 23 H HIS 23 -6.134 -3.728 -0.908 148 HA HIS 23 HA HIS 23 -5.275 -6.312 -0.237 149 1HB HIS 23 2HB HIS 23 -4.622 -5.282 -2.324 150 2HB HIS 23 1HB HIS 23 -3.859 -3.948 -1.479 151 HD1 HIS 23 1HD HIS 23 -3.343 -7.511 -2.439 152 HD2 HIS 23 2HD HIS 23 -1.299 -4.450 -0.537 153 HE1 HIS 23 1HE HIS 23 -0.997 -8.334 -2.175 154 HE2 HIS 23 2HE HIS 23 0.081 -6.557 -0.694 155 H CYS 24 H CYS 24 -3.997 -3.137 0.776 156 HA CYS 24 HA CYS 24 -2.001 -4.179 2.432 157 1HB CYS 24 2HB CYS 24 -3.338 -1.479 2.462 158 2HB CYS 24 1HB CYS 24 -1.884 -1.858 3.367 159 H LYS 25 H LYS 25 -5.403 -3.332 3.250 160 HA LYS 25 HA LYS 25 -4.975 -3.542 5.986 161 1HB LYS 25 2HB LYS 25 -7.236 -3.278 4.136 162 2HB LYS 25 1HB LYS 25 -7.574 -3.868 5.744 163 1HG LYS 25 2HG LYS 25 -6.545 -1.827 6.683 164 2HG LYS 25 1HG LYS 25 -6.211 -1.264 5.041 165 1HD LYS 25 2HD LYS 25 -8.513 -1.082 4.536 166 2HD LYS 25 1HD LYS 25 -8.974 -1.968 5.983 167 1HE LYS 25 2HE LYS 25 -9.427 0.407 6.269 168 2HE LYS 25 1HE LYS 25 -8.159 -0.122 7.359 169 1HZ LYS 25 1HZ LYS 25 -7.816 2.060 6.164 170 2HZ LYS 25 2HZ LYS 25 -7.477 1.166 4.769 171 3HZ LYS 25 3HZ LYS 25 -6.559 0.970 6.171 172 H ASN 26 H ASN 26 -6.543 -5.850 3.659 173 HA ASN 26 HA ASN 26 -6.867 -7.721 5.796 174 1HB ASN 26 2HB ASN 26 -8.570 -7.431 4.109 175 2HB ASN 26 1HB ASN 26 -7.399 -7.820 2.858 176 1HD2 ASN 26 1HD2 ASN 26 -8.540 -9.466 2.087 177 2HD2 ASN 26 2HD2 ASN 26 -8.741 -10.964 2.910 178 H LYS 27 H LYS 27 -5.027 -7.628 2.743 179 HA LYS 27 HA LYS 27 -3.909 -10.210 3.147 180 1HB LYS 27 2HB LYS 27 -4.274 -9.394 0.899 181 2HB LYS 27 1HB LYS 27 -3.251 -8.003 1.192 182 1HG LYS 27 2HG LYS 27 -2.104 -9.600 -0.197 183 2HG LYS 27 1HG LYS 27 -1.307 -9.501 1.370 184 1HD LYS 27 2HD LYS 27 -2.483 -11.555 2.066 185 2HD LYS 27 1HD LYS 27 -3.222 -11.652 0.468 186 1HE LYS 27 2HE LYS 27 -1.031 -11.846 -0.563 187 2HE LYS 27 1HE LYS 27 -0.256 -11.683 1.009 188 1HZ LYS 27 1HZ LYS 27 -0.356 -13.986 0.373 189 2HZ LYS 27 2HZ LYS 27 -2.007 -13.896 0.111 190 3HZ LYS 27 3HZ LYS 27 -1.402 -13.755 1.682 191 H GLU 28 H GLU 28 -2.729 -6.903 3.680 192 HA GLU 28 HA GLU 28 -0.276 -8.143 4.653 193 1HB GLU 28 2HB GLU 28 -0.616 -5.345 3.599 194 2HB GLU 28 1HB GLU 28 0.892 -5.994 4.236 195 1HG GLU 28 2HG GLU 28 0.519 -7.889 2.514 196 2HG GLU 28 1HG GLU 28 -0.608 -6.784 1.781 197 H HIS 29 H HIS 29 -2.986 -6.768 5.868 198 HA HIS 29 HA HIS 29 -3.666 -6.202 7.943 199 1HB HIS 29 2HB HIS 29 -1.084 -7.540 8.732 200 2HB HIS 29 1HB HIS 29 -2.253 -6.961 9.905 201 HD1 HIS 29 1HD HIS 29 -4.263 -8.414 10.343 202 HD2 HIS 29 2HD HIS 29 -1.946 -9.775 7.192 203 HE1 HIS 29 1HE HIS 29 -5.109 -10.722 9.835 204 HE2 HIS 29 2HE HIS 29 -3.737 -11.497 7.881 205 H LEU 30 H LEU 30 -2.267 -4.195 6.489 206 HA LEU 30 HA LEU 30 -0.912 -2.777 8.646 207 1HB LEU 30 2HB LEU 30 -0.859 -2.260 5.679 208 2HB LEU 30 1HB LEU 30 -0.005 -1.298 6.872 209 HG LEU 30 HG LEU 30 0.513 -4.212 6.247 210 1HD1 LEU 30 1HD1 LEU 30 2.170 -1.764 5.725 211 2HD1 LEU 30 2HD1 LEU 30 1.366 -2.776 4.523 212 3HD1 LEU 30 3HD1 LEU 30 2.694 -3.428 5.482 213 1HD2 LEU 30 1HD2 LEU 30 2.416 -4.012 7.783 214 2HD2 LEU 30 2HD2 LEU 30 0.880 -3.815 8.608 215 3HD2 LEU 30 3HD2 LEU 30 1.874 -2.400 8.247 216 H ARG 31 H ARG 31 -1.235 -0.154 7.796 217 HA ARG 31 HA ARG 31 -3.688 0.334 9.163 218 1HB ARG 31 2HB ARG 31 -1.488 1.714 9.192 219 2HB ARG 31 1HB ARG 31 -2.006 2.380 7.721 220 1HG ARG 31 2HG ARG 31 -4.057 3.272 8.721 221 2HG ARG 31 1HG ARG 31 -3.565 2.622 10.287 222 1HD ARG 31 2HD ARG 31 -1.479 3.990 10.108 223 2HD ARG 31 1HD ARG 31 -2.156 4.735 8.662 224 HE ARG 31 HE ARG 31 -3.826 4.869 11.022 225 1HH1 ARG 31 1HH1 ARG 31 -1.384 6.632 9.077 226 2HH1 ARG 31 2HH1 ARG 31 -1.706 8.107 9.858 227 1HH2 ARG 31 1HH2 ARG 31 -4.205 6.912 12.020 228 2HH2 ARG 31 2HH2 ARG 31 -3.322 8.284 11.528 229 H SER 32 H SER 32 -2.587 1.388 5.955 230 HA SER 32 HA SER 32 -5.191 0.937 4.788 231 1HB SER 32 2HB SER 32 -3.959 3.705 4.772 232 2HB SER 32 1HB SER 32 -5.467 3.214 4.028 233 HG SER 32 HG SER 32 -5.277 4.256 6.323 234 H GLY 33 H GLY 33 -4.892 1.971 2.451 235 1HA GLY 33 2HA GLY 33 -2.156 1.680 1.559 236 2HA GLY 33 1HA GLY 33 -3.348 0.573 0.877 237 H ARG 34 H ARG 34 -1.722 2.816 -0.206 238 HA ARG 34 HA ARG 34 -3.894 4.112 -1.644 239 1HB ARG 34 2HB ARG 34 -1.653 5.533 -0.249 240 2HB ARG 34 1HB ARG 34 -2.454 6.205 -1.666 241 1HG ARG 34 2HG ARG 34 -4.494 6.161 -0.645 242 2HG ARG 34 1HG ARG 34 -3.896 5.368 0.825 243 1HD ARG 34 2HD ARG 34 -3.157 8.144 -0.167 244 2HD ARG 34 1HD ARG 34 -4.162 7.783 1.230 245 HE ARG 34 HE ARG 34 -1.583 6.587 1.472 246 1HH1 ARG 34 1HH1 ARG 34 -3.293 9.672 1.896 247 2HH1 ARG 34 2HH1 ARG 34 -2.129 10.300 2.967 248 1HH2 ARG 34 1HH2 ARG 34 -0.054 7.454 2.946 249 2HH2 ARG 34 2HH2 ARG 34 -0.270 9.025 3.614 250 H CYS 35 H CYS 35 -3.562 4.764 -3.542 251 HA CYS 35 HA CYS 35 -1.334 3.322 -4.790 252 1HB CYS 35 2HB CYS 35 -3.635 2.545 -5.289 253 2HB CYS 35 1HB CYS 35 -3.961 4.097 -6.053 254 H ARG 36 H ARG 36 0.183 4.730 -4.969 255 HA ARG 36 HA ARG 36 -0.263 7.500 -5.423 256 1HB ARG 36 2HB ARG 36 2.241 5.848 -5.294 257 2HB ARG 36 1HB ARG 36 2.270 7.563 -5.670 258 1HG ARG 36 2HG ARG 36 1.174 8.042 -3.520 259 2HG ARG 36 1HG ARG 36 1.156 6.325 -3.170 260 1HD ARG 36 2HD ARG 36 3.014 7.650 -2.093 261 2HD ARG 36 1HD ARG 36 3.505 6.212 -2.974 262 HE ARG 36 HE ARG 36 3.819 8.096 -4.832 263 1HH1 ARG 36 1HH1 ARG 36 4.878 7.973 -1.451 264 2HH1 ARG 36 2HH1 ARG 36 6.218 8.986 -1.670 265 1HH2 ARG 36 1HH2 ARG 36 5.718 9.458 -5.171 266 2HH2 ARG 36 2HH2 ARG 36 6.702 9.835 -3.838 267 H ASP 37 H ASP 37 1.110 8.633 -7.130 268 HA ASP 37 HA ASP 37 -0.055 8.015 -9.637 269 1HB ASP 37 2HB ASP 37 2.177 9.956 -9.014 270 2HB ASP 37 1HB ASP 37 1.310 9.884 -10.543 271 H ASP 38 H ASP 38 2.656 6.915 -8.148 272 HA ASP 38 HA ASP 38 4.438 6.241 -10.237 273 1HB ASP 38 2HB ASP 38 3.978 4.868 -7.581 274 2HB ASP 38 1HB ASP 38 5.409 4.731 -8.587 275 H PHE 39 H PHE 39 1.340 5.158 -9.572 276 HA PHE 39 HA PHE 39 0.030 3.412 -10.125 277 1HB PHE 39 2HB PHE 39 2.308 2.791 -12.038 278 2HB PHE 39 1HB PHE 39 0.837 1.830 -11.976 279 HD1 PHE 39 1HD PHE 39 -1.329 2.895 -12.602 280 HD2 PHE 39 2HD PHE 39 2.405 4.838 -13.204 281 HE1 PHE 39 1HE PHE 39 -2.386 4.407 -14.225 282 HE2 PHE 39 2HE PHE 39 1.345 6.359 -14.829 283 HZ PHE 39 HZ PHE 39 -1.047 6.145 -15.337 284 H ARG 40 H ARG 40 1.612 3.339 -7.909 285 HA ARG 40 HA ARG 40 1.944 0.475 -7.584 286 1HB ARG 40 2HB ARG 40 3.955 2.568 -6.753 287 2HB ARG 40 1HB ARG 40 3.899 0.968 -6.043 288 1HG ARG 40 2HG ARG 40 4.181 1.453 -8.985 289 2HG ARG 40 1HG ARG 40 5.554 1.236 -7.888 290 1HD ARG 40 2HD ARG 40 3.325 -0.771 -8.336 291 2HD ARG 40 1HD ARG 40 4.922 -0.865 -9.056 292 HE ARG 40 HE ARG 40 5.640 -0.789 -6.563 293 1HH1 ARG 40 1HH1 ARG 40 2.998 -2.753 -7.988 294 2HH1 ARG 40 2HH1 ARG 40 3.108 -3.912 -6.734 295 1HH2 ARG 40 1HH2 ARG 40 5.702 -2.452 -4.934 296 2HH2 ARG 40 2HH2 ARG 40 4.612 -3.760 -4.985 297 H CYS 41 H CYS 41 1.440 -0.341 -5.686 298 HA CYS 41 HA CYS 41 -0.362 1.202 -4.061 299 1HB CYS 41 2HB CYS 41 -0.989 -0.984 -4.802 300 2HB CYS 41 1HB CYS 41 0.447 -1.712 -4.092 301 H TRP 42 H TRP 42 0.206 2.116 -2.256 302 HA TRP 42 HA TRP 42 2.652 1.317 -0.860 303 1HB TRP 42 2HB TRP 42 1.264 3.974 -1.207 304 2HB TRP 42 1HB TRP 42 2.448 3.689 0.053 305 HD1 TRP 42 HD TRP 42 2.241 3.696 -3.828 306 HE1 TRP 42 1HE TRP 42 4.581 4.379 -4.715 307 HE3 TRP 42 3HE TRP 42 4.773 3.971 0.614 308 HZ2 TRP 42 2HZ TRP 42 7.097 4.968 -3.675 309 HZ3 TRP 42 3HZ TRP 42 7.077 4.613 0.599 310 HH2 TRP 42 HH TRP 42 8.263 5.107 -1.501 311 H CYS 43 H CYS 43 2.259 0.561 1.132 312 HA CYS 43 HA CYS 43 -0.439 0.773 2.233 313 1HB CYS 43 2HB CYS 43 1.898 -0.933 3.096 314 2HB CYS 43 1HB CYS 43 0.259 -1.015 3.725 315 H THR 44 H THR 44 -0.794 1.940 4.103 316 HA THR 44 HA THR 44 1.403 3.543 5.098 317 HB THR 44 HB THR 44 -1.504 3.574 5.969 318 HG1 THR 44 1HG THR 44 -0.375 4.943 3.695 319 1HG2 THR 44 1HG2 THR 44 -1.032 5.943 6.437 320 2HG2 THR 44 2HG2 THR 44 0.612 5.735 5.838 321 3HG2 THR 44 3HG2 THR 44 0.092 4.890 7.296 322 H ARG 45 H ARG 45 2.153 3.164 7.230 323 HA ARG 45 HA ARG 45 0.619 1.398 8.902 324 1HB ARG 45 2HB ARG 45 2.599 -0.039 9.415 325 2HB ARG 45 1HB ARG 45 1.933 -0.244 7.808 326 1HG ARG 45 2HG ARG 45 3.763 1.125 6.893 327 2HG ARG 45 1HG ARG 45 4.434 1.281 8.519 328 1HD ARG 45 2HD ARG 45 4.755 -1.099 8.669 329 2HD ARG 45 1HD ARG 45 3.933 -1.350 7.135 330 HE ARG 45 HE ARG 45 6.210 0.358 6.906 331 1HH1 ARG 45 1HH1 ARG 45 5.282 -3.038 7.179 332 2HH1 ARG 45 2HH1 ARG 45 6.552 -3.614 6.204 333 1HH2 ARG 45 1HH2 ARG 45 7.988 -0.445 5.603 334 2HH2 ARG 45 2HH2 ARG 45 8.119 -2.123 5.308 335 H ASN 46 H ASN 46 0.904 1.674 11.055 336 HA ASN 46 HA ASN 46 2.083 4.034 11.962 337 1HB ASN 46 2HB ASN 46 1.074 1.566 13.382 338 2HB ASN 46 1HB ASN 46 1.480 3.103 14.108 339 1HD2 ASN 46 1HD2 ASN 46 -0.859 1.315 12.313 340 2HD2 ASN 46 2HD2 ASN 46 -2.126 2.478 12.402 341 H CYS 47 H CYS 47 4.154 4.229 12.725 342 HA CYS 47 HA CYS 47 5.591 1.776 13.257 343 1HB CYS 47 2HB CYS 47 7.640 2.846 12.212 344 2HB CYS 47 1HB CYS 47 6.367 2.397 11.085 Start of MODEL 15 1 1H LYS 1 1HT LYS 1 6.293 11.015 9.618 2 2H LYS 1 2HT LYS 1 5.997 11.863 11.035 3 3H LYS 1 3HT LYS 1 4.783 11.694 9.851 4 HA LYS 1 HA LYS 1 5.954 9.477 11.390 5 1HB LYS 1 2HB LYS 1 3.178 10.679 11.497 6 2HB LYS 1 1HB LYS 1 3.696 9.230 12.296 7 1HG LYS 1 2HG LYS 1 5.236 10.443 13.706 8 2HG LYS 1 1HG LYS 1 4.847 11.946 12.872 9 1HD LYS 1 2HD LYS 1 3.652 11.749 15.020 10 2HD LYS 1 1HD LYS 1 2.547 11.827 13.653 11 1HE LYS 1 2HE LYS 1 1.830 10.162 15.300 12 2HE LYS 1 1HE LYS 1 2.229 9.401 13.766 13 1HZ LYS 1 1HZ LYS 1 3.034 8.217 15.716 14 2HZ LYS 1 2HZ LYS 1 4.015 9.492 16.139 15 3HZ LYS 1 3HZ LYS 1 4.317 8.616 14.721 16 H THR 2 H THR 2 4.113 7.769 11.228 17 HA THR 2 HA THR 2 3.310 6.086 10.086 18 HB THR 2 HB THR 2 1.975 6.426 8.058 19 HG1 THR 2 1HG THR 2 3.066 8.808 8.050 20 1HG2 THR 2 1HG2 THR 2 0.907 6.214 10.178 21 2HG2 THR 2 2HG2 THR 2 0.075 7.509 9.312 22 3HG2 THR 2 3HG2 THR 2 1.253 7.895 10.573 23 H CYS 3 H CYS 3 4.223 4.631 9.266 24 HA CYS 3 HA CYS 3 6.343 5.128 7.361 25 1HB CYS 3 2HB CYS 3 5.751 2.847 9.262 26 2HB CYS 3 1HB CYS 3 7.052 2.774 8.064 27 H GLU 4 H GLU 4 6.301 4.174 5.364 28 HA GLU 4 HA GLU 4 4.029 2.528 4.703 29 1HB GLU 4 2HB GLU 4 3.402 4.963 4.613 30 2HB GLU 4 1HB GLU 4 4.660 5.164 3.426 31 1HG GLU 4 2HG GLU 4 3.541 3.831 1.882 32 2HG GLU 4 1HG GLU 4 2.315 3.366 3.083 33 H ASN 5 H ASN 5 4.575 1.172 3.102 34 HA ASN 5 HA ASN 5 6.982 1.557 1.437 35 1HB ASN 5 2HB ASN 5 7.541 0.256 3.648 36 2HB ASN 5 1HB ASN 5 6.477 -0.969 2.936 37 1HD2 ASN 5 1HD2 ASN 5 8.092 -2.435 2.722 38 2HD2 ASN 5 2HD2 ASN 5 9.320 -2.272 1.513 39 H LEU 6 H LEU 6 7.031 -0.209 -0.176 40 HA LEU 6 HA LEU 6 4.606 -0.150 -1.516 41 1HB LEU 6 2HB LEU 6 7.201 -1.539 -1.875 42 2HB LEU 6 1HB LEU 6 5.873 -1.637 -3.000 43 HG LEU 6 HG LEU 6 7.379 0.883 -2.267 44 1HD1 LEU 6 1HD1 LEU 6 7.389 -0.745 -4.806 45 2HD1 LEU 6 2HD1 LEU 6 8.700 -0.674 -3.631 46 3HD1 LEU 6 3HD1 LEU 6 8.253 0.767 -4.541 47 1HD2 LEU 6 1HD2 LEU 6 6.129 1.871 -4.144 48 2HD2 LEU 6 2HD2 LEU 6 5.086 1.378 -2.817 49 3HD2 LEU 6 3HD2 LEU 6 5.192 0.380 -4.269 50 H ALA 7 H ALA 7 3.174 -1.755 -1.892 51 HA ALA 7 HA ALA 7 2.935 -3.925 -0.102 52 1HB ALA 7 1HB ALA 7 1.005 -2.886 -1.168 53 2HB ALA 7 2HB ALA 7 1.103 -4.593 -1.613 54 3HB ALA 7 3HB ALA 7 1.618 -3.349 -2.753 55 H ASN 8 H ASN 8 4.054 -5.739 -0.196 56 HA ASN 8 HA ASN 8 5.876 -6.042 -2.394 57 1HB ASN 8 2HB ASN 8 6.943 -7.900 -1.135 58 2HB ASN 8 1HB ASN 8 6.843 -6.410 -0.222 59 1HD2 ASN 8 1HD2 ASN 8 7.120 -7.501 1.704 60 2HD2 ASN 8 2HD2 ASN 8 5.907 -8.487 2.422 61 H THR 9 H THR 9 2.886 -7.427 -1.594 62 HA THR 9 HA THR 9 3.429 -9.360 -3.700 63 HB THR 9 HB THR 9 3.002 -10.572 -1.707 64 HG1 THR 9 1HG THR 9 0.725 -10.756 -3.370 65 1HG2 THR 9 1HG2 THR 9 1.796 -8.962 -0.377 66 2HG2 THR 9 2HG2 THR 9 0.900 -10.476 -0.439 67 3HG2 THR 9 3HG2 THR 9 0.383 -9.108 -1.413 68 H TYR 10 H TYR 10 2.366 -6.531 -3.733 69 HA TYR 10 HA TYR 10 -0.049 -7.068 -5.329 70 1HB TYR 10 2HB TYR 10 -0.121 -5.193 -3.669 71 2HB TYR 10 1HB TYR 10 1.160 -4.388 -4.574 72 HD1 TYR 10 1HD TYR 10 -2.372 -4.829 -4.191 73 HD2 TYR 10 2HD TYR 10 0.597 -3.718 -7.033 74 HE1 TYR 10 1HE TYR 10 -4.092 -3.714 -5.553 75 HE2 TYR 10 2HE TYR 10 -1.115 -2.607 -8.395 76 HH TYR 10 HH TYR 10 -3.584 -2.783 -8.731 77 H ARG 11 H ARG 11 0.632 -7.750 -7.222 78 HA ARG 11 HA ARG 11 2.921 -6.389 -8.421 79 1HB ARG 11 2HB ARG 11 3.093 -8.837 -8.170 80 2HB ARG 11 1HB ARG 11 1.671 -9.028 -9.183 81 1HG ARG 11 2HG ARG 11 3.710 -9.452 -10.435 82 2HG ARG 11 1HG ARG 11 2.859 -8.042 -11.068 83 1HD ARG 11 2HD ARG 11 4.386 -6.568 -9.854 84 2HD ARG 11 1HD ARG 11 5.229 -7.966 -9.189 85 HE ARG 11 HE ARG 11 5.338 -8.325 -11.869 86 1HH1 ARG 11 1HH1 ARG 11 6.192 -5.545 -9.839 87 2HH1 ARG 11 2HH1 ARG 11 7.566 -5.113 -10.740 88 1HH2 ARG 11 1HH2 ARG 11 7.217 -7.712 -13.130 89 2HH2 ARG 11 2HH2 ARG 11 8.149 -6.365 -12.684 90 H GLY 12 H GLY 12 2.615 -5.063 -10.074 91 1HA GLY 12 2HA GLY 12 1.521 -4.952 -12.295 92 2HA GLY 12 1HA GLY 12 0.019 -5.153 -11.406 93 HA PRO 13 HA PRO 13 1.426 -0.551 -11.531 94 1HB PRO 13 2HB PRO 13 -0.515 -0.445 -13.786 95 2HB PRO 13 1HB PRO 13 1.012 0.427 -13.589 96 1HG PRO 13 2HG PRO 13 0.851 -1.589 -15.307 97 2HG PRO 13 1HG PRO 13 2.283 -1.387 -14.280 98 1HD PRO 13 2HD PRO 13 -0.012 -3.295 -13.954 99 2HD PRO 13 1HD PRO 13 1.730 -3.569 -13.743 100 H CYS 14 H CYS 14 0.224 0.563 -10.192 101 HA CYS 14 HA CYS 14 -2.480 -0.335 -9.595 102 1HB CYS 14 2HB CYS 14 -0.897 -0.519 -7.774 103 2HB CYS 14 1HB CYS 14 -0.374 1.138 -8.013 104 H PHE 15 H PHE 15 -4.052 1.247 -9.251 105 HA PHE 15 HA PHE 15 -3.452 3.934 -10.250 106 1HB PHE 15 2HB PHE 15 -5.819 2.256 -11.085 107 2HB PHE 15 1HB PHE 15 -5.618 3.958 -11.471 108 HD1 PHE 15 1HD PHE 15 -5.000 0.625 -12.525 109 HD2 PHE 15 2HD PHE 15 -3.507 4.595 -12.783 110 HE1 PHE 15 1HE PHE 15 -3.747 0.020 -14.550 111 HE2 PHE 15 2HE PHE 15 -2.255 4.002 -14.812 112 HZ PHE 15 HZ PHE 15 -2.371 1.715 -15.699 113 H THR 16 H THR 16 -5.597 1.899 -8.259 114 HA THR 16 HA THR 16 -6.766 4.365 -7.211 115 HB THR 16 HB THR 16 -7.987 1.598 -7.339 116 HG1 THR 16 1HG THR 16 -8.158 3.945 -8.869 117 1HG2 THR 16 1HG2 THR 16 -8.828 2.929 -5.442 118 2HG2 THR 16 2HG2 THR 16 -10.058 2.718 -6.694 119 3HG2 THR 16 3HG2 THR 16 -9.200 4.256 -6.548 120 H THR 17 H THR 17 -6.815 4.766 -5.054 121 HA THR 17 HA THR 17 -4.997 3.533 -3.339 122 HB THR 17 HB THR 17 -7.179 5.557 -2.940 123 HG1 THR 17 1HG THR 17 -5.657 6.528 -3.949 124 1HG2 THR 17 1HG2 THR 17 -5.142 4.668 -0.866 125 2HG2 THR 17 2HG2 THR 17 -6.884 4.471 -0.765 126 3HG2 THR 17 3HG2 THR 17 -6.180 6.084 -0.730 127 H GLY 18 H GLY 18 -8.552 3.320 -3.505 128 1HA GLY 18 2HA GLY 18 -8.932 1.844 -1.172 129 2HA GLY 18 1HA GLY 18 -10.029 1.883 -2.538 130 H SER 19 H SER 19 -8.146 0.699 -4.451 131 HA SER 19 HA SER 19 -8.655 -2.017 -3.828 132 1HB SER 19 2HB SER 19 -7.316 -2.258 -6.058 133 2HB SER 19 1HB SER 19 -8.900 -1.481 -6.096 134 HG SER 19 HG SER 19 -6.680 -0.464 -6.948 135 H CYS 20 H CYS 20 -5.943 0.126 -3.751 136 HA CYS 20 HA CYS 20 -3.918 -1.781 -3.195 137 1HB CYS 20 2HB CYS 20 -3.355 0.544 -3.937 138 2HB CYS 20 1HB CYS 20 -4.149 1.149 -2.528 139 H ASP 21 H ASP 21 -5.922 0.339 -1.214 140 HA ASP 21 HA ASP 21 -5.003 -0.285 1.331 141 1HB ASP 21 2HB ASP 21 -6.379 1.605 0.864 142 2HB ASP 21 1HB ASP 21 -7.745 0.578 0.396 143 H ASP 22 H ASP 22 -7.729 -1.637 -0.435 144 HA ASP 22 HA ASP 22 -8.650 -3.623 1.230 145 1HB ASP 22 2HB ASP 22 -9.724 -3.137 -0.855 146 2HB ASP 22 1HB ASP 22 -8.282 -3.556 -1.762 147 H HIS 23 H HIS 23 -5.996 -3.783 -1.055 148 HA HIS 23 HA HIS 23 -5.255 -6.469 -0.571 149 1HB HIS 23 2HB HIS 23 -4.592 -5.474 -2.652 150 2HB HIS 23 1HB HIS 23 -3.802 -4.140 -1.826 151 HD1 HIS 23 1HD HIS 23 -3.271 -7.744 -2.806 152 HD2 HIS 23 2HD HIS 23 -1.217 -4.630 -0.968 153 HE1 HIS 23 1HE HIS 23 -0.871 -8.483 -2.663 154 HE2 HIS 23 2HE HIS 23 0.255 -6.664 -1.291 155 H CYS 24 H CYS 24 -3.948 -3.401 0.654 156 HA CYS 24 HA CYS 24 -1.882 -4.577 2.151 157 1HB CYS 24 2HB CYS 24 -3.219 -1.894 2.426 158 2HB CYS 24 1HB CYS 24 -1.763 -2.372 3.298 159 H LYS 25 H LYS 25 -5.279 -3.907 3.012 160 HA LYS 25 HA LYS 25 -4.859 -4.456 5.723 161 1HB LYS 25 2HB LYS 25 -7.158 -4.053 3.893 162 2HB LYS 25 1HB LYS 25 -7.413 -4.621 5.524 163 1HG LYS 25 2HG LYS 25 -6.430 -2.611 6.425 164 2HG LYS 25 1HG LYS 25 -5.942 -2.091 4.812 165 1HD LYS 25 2HD LYS 25 -8.257 -1.860 4.151 166 2HD LYS 25 1HD LYS 25 -8.794 -2.488 5.712 167 1HE LYS 25 2HE LYS 25 -7.978 -0.579 6.855 168 2HE LYS 25 1HE LYS 25 -7.084 -0.028 5.442 169 1HZ LYS 25 1HZ LYS 25 -9.083 0.382 4.317 170 2HZ LYS 25 2HZ LYS 25 -9.101 1.234 5.776 171 3HZ LYS 25 3HZ LYS 25 -10.051 -0.172 5.594 172 H ASN 26 H ASN 26 -6.470 -6.238 3.045 173 HA ASN 26 HA ASN 26 -6.977 -8.440 4.727 174 1HB ASN 26 2HB ASN 26 -8.550 -8.033 3.026 175 2HB ASN 26 1HB ASN 26 -7.311 -7.996 1.778 176 1HD2 ASN 26 1HD2 ASN 26 -6.672 -9.877 0.823 177 2HD2 ASN 26 2HD2 ASN 26 -7.351 -11.401 1.204 178 H LYS 27 H LYS 27 -4.495 -7.847 2.292 179 HA LYS 27 HA LYS 27 -3.603 -10.599 2.667 180 1HB LYS 27 2HB LYS 27 -3.891 -9.764 0.379 181 2HB LYS 27 1HB LYS 27 -2.665 -8.544 0.669 182 1HG LYS 27 2HG LYS 27 -1.674 -10.329 -0.571 183 2HG LYS 27 1HG LYS 27 -1.030 -10.376 1.069 184 1HD LYS 27 2HD LYS 27 -2.600 -12.178 1.638 185 2HD LYS 27 1HD LYS 27 -3.251 -12.123 -0.001 186 1HE LYS 27 2HE LYS 27 -1.006 -12.683 -0.867 187 2HE LYS 27 1HE LYS 27 -0.427 -12.817 0.789 188 1HZ LYS 27 1HZ LYS 27 -0.961 -14.976 -0.108 189 2HZ LYS 27 2HZ LYS 27 -2.539 -14.509 -0.450 190 3HZ LYS 27 3HZ LYS 27 -2.022 -14.630 1.144 191 H GLU 28 H GLU 28 -2.293 -7.277 2.871 192 HA GLU 28 HA GLU 28 0.098 -8.507 3.931 193 1HB GLU 28 2HB GLU 28 -0.258 -5.653 3.012 194 2HB GLU 28 1HB GLU 28 1.267 -6.371 3.540 195 1HG GLU 28 2HG GLU 28 0.749 -8.178 1.761 196 2HG GLU 28 1HG GLU 28 -0.369 -7.015 1.122 197 H HIS 29 H HIS 29 -2.612 -7.274 5.112 198 HA HIS 29 HA HIS 29 -3.405 -6.900 7.144 199 1HB HIS 29 2HB HIS 29 -0.961 -8.474 7.917 200 2HB HIS 29 1HB HIS 29 -2.247 -8.058 9.050 201 HD1 HIS 29 1HD HIS 29 -1.324 -10.536 6.501 202 HD2 HIS 29 2HD HIS 29 -4.796 -9.203 8.331 203 HE1 HIS 29 1HE HIS 29 -3.042 -12.269 5.995 204 HE2 HIS 29 2HE HIS 29 -5.194 -11.271 6.880 205 H LEU 30 H LEU 30 -1.893 -4.785 6.108 206 HA LEU 30 HA LEU 30 -0.794 -3.635 8.548 207 1HB LEU 30 2HB LEU 30 -0.473 -2.706 5.696 208 2HB LEU 30 1HB LEU 30 0.143 -1.844 7.084 209 HG LEU 30 HG LEU 30 1.032 -4.591 6.186 210 1HD1 LEU 30 1HD1 LEU 30 1.922 -2.858 4.788 211 2HD1 LEU 30 2HD1 LEU 30 3.189 -3.504 5.825 212 3HD1 LEU 30 3HD1 LEU 30 2.455 -1.944 6.197 213 1HD2 LEU 30 1HD2 LEU 30 1.077 -4.484 8.603 214 2HD2 LEU 30 2HD2 LEU 30 1.924 -2.939 8.540 215 3HD2 LEU 30 3HD2 LEU 30 2.718 -4.401 7.963 216 H ARG 31 H ARG 31 -1.187 -0.946 8.065 217 HA ARG 31 HA ARG 31 -3.771 -0.886 9.230 218 1HB ARG 31 2HB ARG 31 -1.738 0.653 9.666 219 2HB ARG 31 1HB ARG 31 -2.308 1.592 8.364 220 1HG ARG 31 2HG ARG 31 -4.623 1.610 9.398 221 2HG ARG 31 1HG ARG 31 -3.856 0.981 10.854 222 1HD ARG 31 2HD ARG 31 -2.352 2.984 10.807 223 2HD ARG 31 1HD ARG 31 -3.343 3.578 9.473 224 HE ARG 31 HE ARG 31 -4.806 2.859 11.834 225 1HH1 ARG 31 1HH1 ARG 31 -3.213 5.486 10.073 226 2HH1 ARG 31 2HH1 ARG 31 -4.032 6.737 10.863 227 1HH2 ARG 31 1HH2 ARG 31 -5.923 4.572 12.977 228 2HH2 ARG 31 2HH2 ARG 31 -5.667 6.192 12.576 229 H SER 32 H SER 32 -2.488 0.619 6.309 230 HA SER 32 HA SER 32 -5.049 0.427 4.948 231 1HB SER 32 2HB SER 32 -3.668 3.099 5.220 232 2HB SER 32 1HB SER 32 -5.248 2.749 4.556 233 HG SER 32 HG SER 32 -5.608 1.888 6.840 234 H GLY 33 H GLY 33 -4.622 1.539 2.777 235 1HA GLY 33 2HA GLY 33 -1.835 1.305 1.988 236 2HA GLY 33 1HA GLY 33 -3.022 0.330 1.129 237 H ARG 34 H ARG 34 -1.359 2.384 0.110 238 HA ARG 34 HA ARG 34 -3.429 4.045 -1.100 239 1HB ARG 34 2HB ARG 34 -0.908 5.119 0.110 240 2HB ARG 34 1HB ARG 34 -1.755 5.930 -1.193 241 1HG ARG 34 2HG ARG 34 -3.697 5.968 0.120 242 2HG ARG 34 1HG ARG 34 -2.825 5.345 1.548 243 1HD ARG 34 2HD ARG 34 -2.415 7.949 0.050 244 2HD ARG 34 1HD ARG 34 -2.847 7.748 1.744 245 HE ARG 34 HE ARG 34 -0.400 6.550 1.552 246 1HH1 ARG 34 1HH1 ARG 34 -1.615 9.800 0.692 247 2HH1 ARG 34 2HH1 ARG 34 -0.126 10.555 1.014 248 1HH2 ARG 34 1HH2 ARG 34 1.638 7.631 1.881 249 2HH2 ARG 34 2HH2 ARG 34 1.734 9.332 1.698 250 H CYS 35 H CYS 35 -3.161 4.690 -2.931 251 HA CYS 35 HA CYS 35 -1.067 3.241 -4.368 252 1HB CYS 35 2HB CYS 35 -3.450 2.740 -4.912 253 2HB CYS 35 1HB CYS 35 -3.594 4.393 -5.506 254 H ARG 36 H ARG 36 0.493 4.602 -4.252 255 HA ARG 36 HA ARG 36 -0.010 7.418 -4.393 256 1HB ARG 36 2HB ARG 36 2.477 5.843 -3.824 257 2HB ARG 36 1HB ARG 36 2.439 7.601 -3.893 258 1HG ARG 36 2HG ARG 36 0.828 7.672 -2.082 259 2HG ARG 36 1HG ARG 36 0.753 5.920 -2.052 260 1HD ARG 36 2HD ARG 36 2.168 6.911 -0.260 261 2HD ARG 36 1HD ARG 36 2.999 5.753 -1.290 262 HE ARG 36 HE ARG 36 3.520 8.165 -2.424 263 1HH1 ARG 36 1HH1 ARG 36 3.909 6.948 0.889 264 2HH1 ARG 36 2HH1 ARG 36 5.391 7.739 1.130 265 1HH2 ARG 36 1HH2 ARG 36 5.497 9.238 -2.081 266 2HH2 ARG 36 2HH2 ARG 36 6.345 9.086 -0.600 267 H ASP 37 H ASP 37 1.943 8.631 -5.509 268 HA ASP 37 HA ASP 37 1.233 8.481 -8.251 269 1HB ASP 37 2HB ASP 37 3.208 10.255 -6.809 270 2HB ASP 37 1HB ASP 37 2.748 10.454 -8.497 271 H ASP 38 H ASP 38 3.148 6.489 -6.845 272 HA ASP 38 HA ASP 38 5.343 6.339 -8.781 273 1HB ASP 38 2HB ASP 38 4.538 4.401 -6.584 274 2HB ASP 38 1HB ASP 38 6.022 4.335 -7.510 275 H PHE 39 H PHE 39 2.107 5.544 -8.576 276 HA PHE 39 HA PHE 39 0.647 4.138 -9.541 277 1HB PHE 39 2HB PHE 39 2.963 3.517 -11.432 278 2HB PHE 39 1HB PHE 39 1.356 2.844 -11.621 279 HD1 PHE 39 1HD PHE 39 -0.500 4.206 -12.342 280 HD2 PHE 39 2HD PHE 39 3.387 5.867 -11.889 281 HE1 PHE 39 1HE PHE 39 -1.203 6.183 -13.626 282 HE2 PHE 39 2HE PHE 39 2.692 7.848 -13.169 283 HZ PHE 39 HZ PHE 39 0.395 8.007 -14.039 284 H ARG 40 H ARG 40 2.162 3.459 -7.337 285 HA ARG 40 HA ARG 40 2.057 0.558 -7.479 286 1HB ARG 40 2HB ARG 40 4.230 2.219 -6.198 287 2HB ARG 40 1HB ARG 40 3.959 0.514 -5.868 288 1HG ARG 40 2HG ARG 40 4.480 1.577 -8.615 289 2HG ARG 40 1HG ARG 40 5.756 1.006 -7.527 290 1HD ARG 40 2HD ARG 40 3.382 -0.649 -8.407 291 2HD ARG 40 1HD ARG 40 4.977 -0.728 -9.149 292 HE ARG 40 HE ARG 40 5.684 -1.220 -6.713 293 1HH1 ARG 40 1HH1 ARG 40 2.746 -2.533 -8.315 294 2HH1 ARG 40 2HH1 ARG 40 2.810 -3.963 -7.383 295 1HH2 ARG 40 1HH2 ARG 40 5.678 -3.268 -5.532 296 2HH2 ARG 40 2HH2 ARG 40 4.479 -4.411 -5.851 297 H CYS 41 H CYS 41 1.540 -0.443 -5.593 298 HA CYS 41 HA CYS 41 -0.192 1.051 -3.865 299 1HB CYS 41 2HB CYS 41 -0.921 -1.009 -4.788 300 2HB CYS 41 1HB CYS 41 0.476 -1.885 -4.165 301 H TRP 42 H TRP 42 0.397 1.715 -1.965 302 HA TRP 42 HA TRP 42 2.860 0.741 -0.712 303 1HB TRP 42 2HB TRP 42 1.453 3.409 -0.616 304 2HB TRP 42 1HB TRP 42 2.715 2.926 0.491 305 HD1 TRP 42 HD TRP 42 2.262 3.622 -3.319 306 HE1 TRP 42 1HE TRP 42 4.522 4.610 -4.175 307 HE3 TRP 42 3HE TRP 42 5.077 3.193 0.926 308 HZ2 TRP 42 2HZ TRP 42 7.058 5.093 -3.214 309 HZ3 TRP 42 3HZ TRP 42 7.377 3.942 0.890 310 HH2 TRP 42 HH TRP 42 8.379 4.875 -1.136 311 H CYS 43 H CYS 43 2.568 -0.023 1.323 312 HA CYS 43 HA CYS 43 -0.123 0.117 2.491 313 1HB CYS 43 2HB CYS 43 2.125 -1.837 3.006 314 2HB CYS 43 1HB CYS 43 0.511 -1.898 3.717 315 H THR 44 H THR 44 -0.264 0.905 4.737 316 HA THR 44 HA THR 44 2.250 2.089 5.576 317 HB THR 44 HB THR 44 0.746 3.755 4.579 318 HG1 THR 44 1HG THR 44 2.096 4.132 6.558 319 1HG2 THR 44 1HG2 THR 44 -1.360 4.386 5.714 320 2HG2 THR 44 2HG2 THR 44 -1.161 3.013 6.801 321 3HG2 THR 44 3HG2 THR 44 -1.413 2.740 5.078 322 H ARG 45 H ARG 45 2.509 2.307 7.810 323 HA ARG 45 HA ARG 45 0.573 1.153 9.611 324 1HB ARG 45 2HB ARG 45 2.292 -0.233 10.713 325 2HB ARG 45 1HB ARG 45 2.071 -0.736 9.047 326 1HG ARG 45 2HG ARG 45 4.103 0.621 8.471 327 2HG ARG 45 1HG ARG 45 4.351 0.854 10.201 328 1HD ARG 45 2HD ARG 45 4.407 -1.637 10.455 329 2HD ARG 45 1HD ARG 45 4.351 -1.767 8.695 330 HE ARG 45 HE ARG 45 6.426 -0.144 9.892 331 1HH1 ARG 45 1HH1 ARG 45 5.655 -3.192 8.192 332 2HH1 ARG 45 2HH1 ARG 45 7.272 -3.606 7.932 333 1HH2 ARG 45 1HH2 ARG 45 8.650 -0.733 9.520 334 2HH2 ARG 45 2HH2 ARG 45 9.024 -2.196 8.727 335 H ASN 46 H ASN 46 0.686 2.168 11.666 336 HA ASN 46 HA ASN 46 1.706 4.752 11.650 337 1HB ASN 46 2HB ASN 46 0.201 3.059 13.434 338 2HB ASN 46 1HB ASN 46 1.226 4.198 14.263 339 1HD2 ASN 46 1HD2 ASN 46 -1.484 3.786 12.192 340 2HD2 ASN 46 2HD2 ASN 46 -2.029 5.433 12.243 341 H CYS 47 H CYS 47 3.326 5.755 12.657 342 HA CYS 47 HA CYS 47 5.040 4.569 14.502 343 1HB CYS 47 2HB CYS 47 7.113 4.568 13.126 344 2HB CYS 47 1HB CYS 47 5.927 3.521 12.390 Start of MODEL 16 1 1H LYS 1 1HT LYS 1 4.364 8.093 14.002 2 2H LYS 1 2HT LYS 1 2.734 8.337 14.197 3 3H LYS 1 3HT LYS 1 3.807 9.465 14.853 4 HA LYS 1 HA LYS 1 2.851 10.347 12.817 5 1HB LYS 1 2HB LYS 1 5.517 9.150 11.984 6 2HB LYS 1 1HB LYS 1 4.762 10.571 11.334 7 1HG LYS 1 2HG LYS 1 6.577 11.353 12.621 8 2HG LYS 1 1HG LYS 1 5.147 11.682 13.594 9 1HD LYS 1 2HD LYS 1 5.598 9.731 14.958 10 2HD LYS 1 1HD LYS 1 6.951 9.288 13.920 11 1HE LYS 1 2HE LYS 1 8.120 11.330 14.577 12 2HE LYS 1 1HE LYS 1 6.751 11.791 15.589 13 1HZ LYS 1 1HZ LYS 1 7.126 9.847 16.948 14 2HZ LYS 1 2HZ LYS 1 8.544 10.737 16.873 15 3HZ LYS 1 3HZ LYS 1 8.374 9.334 15.957 16 H THR 2 H THR 2 3.108 9.821 10.267 17 HA THR 2 HA THR 2 2.405 7.011 9.960 18 HB THR 2 HB THR 2 1.160 7.797 7.904 19 HG1 THR 2 1HG THR 2 1.899 9.981 7.901 20 1HG2 THR 2 1HG2 THR 2 -0.007 6.935 9.863 21 2HG2 THR 2 2HG2 THR 2 -0.907 8.297 9.201 22 3HG2 THR 2 3HG2 THR 2 0.084 8.513 10.641 23 H CYS 3 H CYS 3 3.478 5.890 8.535 24 HA CYS 3 HA CYS 3 5.366 7.254 6.750 25 1HB CYS 3 2HB CYS 3 5.754 4.707 8.369 26 2HB CYS 3 1HB CYS 3 6.865 5.261 7.124 27 H GLU 4 H GLU 4 5.572 6.189 4.666 28 HA GLU 4 HA GLU 4 3.507 4.163 4.227 29 1HB GLU 4 2HB GLU 4 2.859 6.533 3.590 30 2HB GLU 4 1HB GLU 4 4.158 6.455 2.437 31 1HG GLU 4 2HG GLU 4 3.094 4.802 1.181 32 2HG GLU 4 1HG GLU 4 1.866 4.561 2.432 33 H ASN 5 H ASN 5 4.102 2.547 2.904 34 HA ASN 5 HA ASN 5 6.566 2.767 1.370 35 1HB ASN 5 2HB ASN 5 6.081 0.673 3.499 36 2HB ASN 5 1HB ASN 5 7.293 0.531 2.232 37 1HD2 ASN 5 1HD2 ASN 5 9.037 1.902 2.266 38 2HD2 ASN 5 2HD2 ASN 5 9.576 2.695 3.693 39 H LEU 6 H LEU 6 6.805 1.142 -0.180 40 HA LEU 6 HA LEU 6 4.601 0.653 -1.697 41 1HB LEU 6 2HB LEU 6 7.299 -0.457 -1.393 42 2HB LEU 6 1HB LEU 6 6.203 -1.125 -2.570 43 HG LEU 6 HG LEU 6 7.113 1.768 -2.530 44 1HD1 LEU 6 1HD1 LEU 6 8.082 -0.551 -4.209 45 2HD1 LEU 6 2HD1 LEU 6 9.003 0.245 -2.933 46 3HD1 LEU 6 3HD1 LEU 6 8.572 1.133 -4.396 47 1HD2 LEU 6 1HD2 LEU 6 6.255 1.765 -4.824 48 2HD2 LEU 6 2HD2 LEU 6 4.986 1.398 -3.660 49 3HD2 LEU 6 3HD2 LEU 6 5.706 0.102 -4.615 50 H ALA 7 H ALA 7 3.188 -1.034 -1.799 51 HA ALA 7 HA ALA 7 3.275 -3.058 0.216 52 1HB ALA 7 1HB ALA 7 1.131 -2.239 -0.607 53 2HB ALA 7 2HB ALA 7 1.321 -3.951 -0.992 54 3HB ALA 7 3HB ALA 7 1.566 -2.727 -2.243 55 H ASN 8 H ASN 8 5.099 -4.152 -0.070 56 HA ASN 8 HA ASN 8 6.138 -4.820 -2.623 57 1HB ASN 8 2HB ASN 8 7.893 -6.039 -1.425 58 2HB ASN 8 1HB ASN 8 7.635 -4.444 -0.729 59 1HD2 ASN 8 1HD2 ASN 8 7.441 -7.852 -0.229 60 2HD2 ASN 8 2HD2 ASN 8 7.069 -7.788 1.449 61 H THR 9 H THR 9 3.724 -6.245 -0.731 62 HA THR 9 HA THR 9 4.186 -8.823 -2.002 63 HB THR 9 HB THR 9 2.006 -8.139 0.005 64 HG1 THR 9 1HG THR 9 4.439 -7.803 0.483 65 1HG2 THR 9 1HG2 THR 9 1.817 -10.313 -1.183 66 2HG2 THR 9 2HG2 THR 9 2.137 -10.539 0.537 67 3HG2 THR 9 3HG2 THR 9 3.439 -10.735 -0.639 68 H TYR 10 H TYR 10 3.010 -6.093 -2.886 69 HA TYR 10 HA TYR 10 0.676 -7.173 -4.351 70 1HB TYR 10 2HB TYR 10 0.218 -5.187 -2.852 71 2HB TYR 10 1HB TYR 10 1.342 -4.259 -3.831 72 HD1 TYR 10 1HD TYR 10 -2.041 -5.306 -3.415 73 HD2 TYR 10 2HD TYR 10 0.717 -3.934 -6.333 74 HE1 TYR 10 1HE TYR 10 -3.912 -4.634 -4.853 75 HE2 TYR 10 2HE TYR 10 -1.153 -3.251 -7.791 76 HH TYR 10 HH TYR 10 -3.524 -3.844 -8.113 77 H ARG 11 H ARG 11 1.317 -7.725 -6.285 78 HA ARG 11 HA ARG 11 3.195 -5.960 -7.652 79 1HB ARG 11 2HB ARG 11 4.274 -8.069 -7.043 80 2HB ARG 11 1HB ARG 11 2.991 -8.968 -7.820 81 1HG ARG 11 2HG ARG 11 3.689 -8.253 -9.977 82 2HG ARG 11 1HG ARG 11 4.823 -7.089 -9.286 83 1HD ARG 11 2HD ARG 11 5.985 -9.096 -10.049 84 2HD ARG 11 1HD ARG 11 6.108 -8.900 -8.307 85 HE ARG 11 HE ARG 11 3.981 -10.616 -9.287 86 1HH1 ARG 11 1HH1 ARG 11 7.229 -10.416 -7.857 87 2HH1 ARG 11 2HH1 ARG 11 7.272 -12.045 -7.371 88 1HH2 ARG 11 1HH2 ARG 11 4.052 -12.878 -8.590 89 2HH2 ARG 11 2HH2 ARG 11 5.413 -13.463 -7.763 90 H GLY 12 H GLY 12 2.544 -5.216 -9.535 91 1HA GLY 12 2HA GLY 12 1.287 -5.868 -11.614 92 2HA GLY 12 1HA GLY 12 -0.058 -6.140 -10.504 93 HA PRO 13 HA PRO 13 0.419 -1.531 -11.703 94 1HB PRO 13 2HB PRO 13 -1.898 -1.954 -13.482 95 2HB PRO 13 1HB PRO 13 -0.382 -1.111 -13.815 96 1HG PRO 13 2HG PRO 13 -0.915 -3.473 -14.940 97 2HG PRO 13 1HG PRO 13 0.722 -3.046 -14.403 98 1HD PRO 13 2HD PRO 13 -1.322 -4.763 -13.030 99 2HD PRO 13 1HD PRO 13 0.415 -5.056 -13.266 100 H CYS 14 H CYS 14 -0.463 -0.564 -10.070 101 HA CYS 14 HA CYS 14 -2.897 -1.408 -8.849 102 1HB CYS 14 2HB CYS 14 -1.067 -0.517 -7.511 103 2HB CYS 14 1HB CYS 14 -1.143 1.007 -8.383 104 H PHE 15 H PHE 15 -4.830 -0.803 -9.470 105 HA PHE 15 HA PHE 15 -5.045 1.431 -11.311 106 1HB PHE 15 2HB PHE 15 -7.048 -0.722 -10.636 107 2HB PHE 15 1HB PHE 15 -7.315 0.568 -11.802 108 HD1 PHE 15 1HD PHE 15 -6.027 -2.712 -11.290 109 HD2 PHE 15 2HD PHE 15 -5.687 0.733 -13.765 110 HE1 PHE 15 1HE PHE 15 -4.959 -4.074 -13.034 111 HE2 PHE 15 2HE PHE 15 -4.620 -0.624 -15.515 112 HZ PHE 15 HZ PHE 15 -4.253 -3.032 -15.149 113 H THR 16 H THR 16 -6.363 0.362 -8.181 114 HA THR 16 HA THR 16 -7.382 3.074 -7.801 115 HB THR 16 HB THR 16 -9.332 2.037 -6.607 116 HG1 THR 16 1HG THR 16 -9.527 -0.252 -7.789 117 1HG2 THR 16 1HG2 THR 16 -9.108 1.370 -9.548 118 2HG2 THR 16 2HG2 THR 16 -9.564 2.937 -8.890 119 3HG2 THR 16 3HG2 THR 16 -10.617 1.542 -8.645 120 H THR 17 H THR 17 -7.466 3.737 -5.623 121 HA THR 17 HA THR 17 -5.626 2.694 -3.808 122 HB THR 17 HB THR 17 -7.926 4.623 -3.576 123 HG1 THR 17 1HG THR 17 -6.462 5.990 -4.134 124 1HG2 THR 17 1HG2 THR 17 -7.033 5.293 -1.336 125 2HG2 THR 17 2HG2 THR 17 -5.969 3.880 -1.366 126 3HG2 THR 17 3HG2 THR 17 -7.711 3.670 -1.344 127 H GLY 18 H GLY 18 -9.004 1.995 -4.364 128 1HA GLY 18 2HA GLY 18 -9.550 0.585 -1.986 129 2HA GLY 18 1HA GLY 18 -10.387 0.372 -3.516 130 H SER 19 H SER 19 -7.927 -0.429 -4.945 131 HA SER 19 HA SER 19 -8.000 -3.236 -4.321 132 1HB SER 19 2HB SER 19 -7.842 -2.409 -6.665 133 2HB SER 19 1HB SER 19 -6.286 -1.677 -6.300 134 HG SER 19 HG SER 19 -5.359 -3.526 -6.576 135 H CYS 20 H CYS 20 -6.068 -0.538 -3.580 136 HA CYS 20 HA CYS 20 -3.745 -2.045 -2.802 137 1HB CYS 20 2HB CYS 20 -3.514 0.166 -3.888 138 2HB CYS 20 1HB CYS 20 -4.403 0.885 -2.577 139 H ASP 21 H ASP 21 -6.171 0.027 -1.209 140 HA ASP 21 HA ASP 21 -5.308 -0.196 1.424 141 1HB ASP 21 2HB ASP 21 -6.894 1.462 0.799 142 2HB ASP 21 1HB ASP 21 -8.074 0.249 0.292 143 H ASP 22 H ASP 22 -7.658 -2.163 -0.327 144 HA ASP 22 HA ASP 22 -8.362 -3.889 1.748 145 1HB ASP 22 2HB ASP 22 -9.601 -3.889 -0.325 146 2HB ASP 22 1HB ASP 22 -8.178 -4.420 -1.217 147 H HIS 23 H HIS 23 -5.814 -4.156 -0.660 148 HA HIS 23 HA HIS 23 -4.744 -6.611 0.163 149 1HB HIS 23 2HB HIS 23 -4.083 -5.781 -1.971 150 2HB HIS 23 1HB HIS 23 -3.521 -4.262 -1.291 151 HD1 HIS 23 1HD HIS 23 -2.503 -7.872 -1.673 152 HD2 HIS 23 2HD HIS 23 -0.931 -4.275 -0.319 153 HE1 HIS 23 1HE HIS 23 -0.074 -8.306 -1.250 154 HE2 HIS 23 2HE HIS 23 0.793 -6.133 -0.228 155 H CYS 24 H CYS 24 -3.822 -3.323 1.101 156 HA CYS 24 HA CYS 24 -1.687 -4.116 2.733 157 1HB CYS 24 2HB CYS 24 -3.310 -1.575 2.714 158 2HB CYS 24 1HB CYS 24 -1.832 -1.775 3.645 159 H LYS 25 H LYS 25 -5.159 -3.818 3.490 160 HA LYS 25 HA LYS 25 -4.702 -4.137 6.265 161 1HB LYS 25 2HB LYS 25 -7.013 -4.036 4.400 162 2HB LYS 25 1HB LYS 25 -7.218 -4.470 6.078 163 1HG LYS 25 2HG LYS 25 -6.441 -2.313 6.792 164 2HG LYS 25 1HG LYS 25 -5.922 -1.912 5.152 165 1HD LYS 25 2HD LYS 25 -8.203 -1.954 4.385 166 2HD LYS 25 1HD LYS 25 -8.765 -2.451 5.981 167 1HE LYS 25 2HE LYS 25 -8.165 -0.354 6.925 168 2HE LYS 25 1HE LYS 25 -7.278 0.114 5.471 169 1HZ LYS 25 1HZ LYS 25 -9.454 1.174 5.593 170 2HZ LYS 25 2HZ LYS 25 -10.227 -0.317 5.565 171 3HZ LYS 25 3HZ LYS 25 -9.268 0.190 4.254 172 H ASN 26 H ASN 26 -6.089 -6.124 3.604 173 HA ASN 26 HA ASN 26 -6.721 -8.361 5.133 174 1HB ASN 26 2HB ASN 26 -7.761 -7.808 3.024 175 2HB ASN 26 1HB ASN 26 -6.223 -7.937 2.196 176 1HD2 ASN 26 1HD2 ASN 26 -6.924 -9.412 0.788 177 2HD2 ASN 26 2HD2 ASN 26 -7.299 -11.042 1.218 178 H LYS 27 H LYS 27 -3.949 -7.671 3.005 179 HA LYS 27 HA LYS 27 -2.876 -10.237 3.772 180 1HB LYS 27 2HB LYS 27 -2.975 -9.852 1.413 181 2HB LYS 27 1HB LYS 27 -2.082 -8.355 1.563 182 1HG LYS 27 2HG LYS 27 -0.571 -9.914 0.642 183 2HG LYS 27 1HG LYS 27 -0.108 -9.758 2.327 184 1HD LYS 27 2HD LYS 27 -1.869 -12.002 1.320 185 2HD LYS 27 1HD LYS 27 -0.119 -12.112 1.311 186 1HE LYS 27 2HE LYS 27 -0.141 -11.794 3.785 187 2HE LYS 27 1HE LYS 27 -1.900 -11.790 3.743 188 1HZ LYS 27 1HZ LYS 27 -1.084 -13.924 4.332 189 2HZ LYS 27 2HZ LYS 27 -0.151 -14.018 2.930 190 3HZ LYS 27 3HZ LYS 27 -1.839 -14.019 2.829 191 H GLU 28 H GLU 28 -1.801 -6.814 3.668 192 HA GLU 28 HA GLU 28 0.628 -7.732 4.925 193 1HB GLU 28 2HB GLU 28 0.034 -4.975 3.843 194 2HB GLU 28 1HB GLU 28 1.593 -5.500 4.479 195 1HG GLU 28 2HG GLU 28 1.372 -7.421 2.763 196 2HG GLU 28 1HG GLU 28 0.168 -6.411 2.021 197 H HIS 29 H HIS 29 -2.239 -6.469 5.883 198 HA HIS 29 HA HIS 29 -3.153 -5.988 7.830 199 1HB HIS 29 2HB HIS 29 -0.678 -7.336 8.926 200 2HB HIS 29 1HB HIS 29 -2.038 -6.867 9.938 201 HD1 HIS 29 1HD HIS 29 -0.824 -9.549 7.778 202 HD2 HIS 29 2HD HIS 29 -4.488 -8.297 9.248 203 HE1 HIS 29 1HE HIS 29 -2.372 -11.482 7.436 204 HE2 HIS 29 2HE HIS 29 -4.461 -10.814 8.626 205 H LEU 30 H LEU 30 -1.778 -3.911 6.641 206 HA LEU 30 HA LEU 30 -0.635 -2.414 8.880 207 1HB LEU 30 2HB LEU 30 -0.478 -1.909 5.911 208 2HB LEU 30 1HB LEU 30 0.197 -0.841 7.123 209 HG LEU 30 HG LEU 30 1.077 -3.689 6.614 210 1HD1 LEU 30 1HD1 LEU 30 2.439 -1.070 6.037 211 2HD1 LEU 30 2HD1 LEU 30 1.800 -2.220 4.856 212 3HD1 LEU 30 3HD1 LEU 30 3.165 -2.667 5.869 213 1HD2 LEU 30 1HD2 LEU 30 1.309 -3.161 8.954 214 2HD2 LEU 30 2HD2 LEU 30 2.092 -1.631 8.572 215 3HD2 LEU 30 3HD2 LEU 30 2.901 -3.148 8.198 216 H ARG 31 H ARG 31 -1.102 0.177 7.989 217 HA ARG 31 HA ARG 31 -3.576 0.628 9.268 218 1HB ARG 31 2HB ARG 31 -1.536 2.194 9.112 219 2HB ARG 31 1HB ARG 31 -2.068 2.578 7.548 220 1HG ARG 31 2HG ARG 31 -4.256 3.361 8.381 221 2HG ARG 31 1HG ARG 31 -3.698 3.062 10.026 222 1HD ARG 31 2HD ARG 31 -1.822 4.641 9.598 223 2HD ARG 31 1HD ARG 31 -2.552 5.018 8.036 224 HE ARG 31 HE ARG 31 -4.025 5.408 10.546 225 1HH1 ARG 31 1HH1 ARG 31 -2.978 6.728 7.424 226 2HH1 ARG 31 2HH1 ARG 31 -3.507 8.301 7.765 227 1HH2 ARG 31 1HH2 ARG 31 -4.764 7.564 10.984 228 2HH2 ARG 31 2HH2 ARG 31 -4.551 8.793 9.829 229 H SER 32 H SER 32 -2.615 1.437 5.956 230 HA SER 32 HA SER 32 -5.160 0.748 4.813 231 1HB SER 32 2HB SER 32 -4.190 3.622 4.743 232 2HB SER 32 1HB SER 32 -5.640 2.972 4.007 233 HG SER 32 HG SER 32 -5.811 2.329 6.517 234 H GLY 33 H GLY 33 -4.903 1.774 2.434 235 1HA GLY 33 2HA GLY 33 -2.128 1.702 1.617 236 2HA GLY 33 1HA GLY 33 -3.210 0.479 0.942 237 H ARG 34 H ARG 34 -1.759 2.876 -0.128 238 HA ARG 34 HA ARG 34 -4.045 3.948 -1.600 239 1HB ARG 34 2HB ARG 34 -1.844 5.544 -0.349 240 2HB ARG 34 1HB ARG 34 -2.741 6.124 -1.749 241 1HG ARG 34 2HG ARG 34 -4.753 5.948 -0.613 242 2HG ARG 34 1HG ARG 34 -3.996 5.299 0.854 243 1HD ARG 34 2HD ARG 34 -3.592 8.047 -0.356 244 2HD ARG 34 1HD ARG 34 -4.424 7.688 1.156 245 HE ARG 34 HE ARG 34 -1.718 6.747 1.150 246 1HH1 ARG 34 1HH1 ARG 34 -3.690 9.634 1.728 247 2HH1 ARG 34 2HH1 ARG 34 -2.476 10.414 2.636 248 1HH2 ARG 34 1HH2 ARG 34 -0.176 7.740 2.333 249 2HH2 ARG 34 2HH2 ARG 34 -0.379 9.304 3.030 250 H CYS 35 H CYS 35 -3.828 4.557 -3.490 251 HA CYS 35 HA CYS 35 -1.812 2.983 -4.894 252 1HB CYS 35 2HB CYS 35 -4.310 2.847 -5.304 253 2HB CYS 35 1HB CYS 35 -4.178 4.441 -6.033 254 H ARG 36 H ARG 36 -0.089 4.022 -5.735 255 HA ARG 36 HA ARG 36 -0.382 6.916 -5.972 256 1HB ARG 36 2HB ARG 36 2.046 5.415 -5.032 257 2HB ARG 36 1HB ARG 36 2.000 7.138 -5.386 258 1HG ARG 36 2HG ARG 36 0.233 7.404 -3.666 259 2HG ARG 36 1HG ARG 36 0.409 5.703 -3.273 260 1HD ARG 36 2HD ARG 36 1.650 7.186 -1.731 261 2HD ARG 36 1HD ARG 36 2.683 6.030 -2.570 262 HE ARG 36 HE ARG 36 2.884 8.128 -4.167 263 1HH1 ARG 36 1HH1 ARG 36 3.105 8.001 -0.646 264 2HH1 ARG 36 2HH1 ARG 36 4.225 9.286 -0.567 265 1HH2 ARG 36 1HH2 ARG 36 4.424 9.839 -4.043 266 2HH2 ARG 36 2HH2 ARG 36 4.971 10.351 -2.514 267 H ASP 37 H ASP 37 1.609 7.838 -7.210 268 HA ASP 37 HA ASP 37 1.009 7.225 -9.890 269 1HB ASP 37 2HB ASP 37 2.540 9.054 -10.452 270 2HB ASP 37 1HB ASP 37 1.427 9.493 -9.170 271 H ASP 38 H ASP 38 3.053 5.547 -8.005 272 HA ASP 38 HA ASP 38 5.120 4.957 -9.992 273 1HB ASP 38 2HB ASP 38 4.392 3.405 -7.489 274 2HB ASP 38 1HB ASP 38 5.836 3.190 -8.464 275 H PHE 39 H PHE 39 1.922 4.302 -9.591 276 HA PHE 39 HA PHE 39 0.417 2.864 -10.357 277 1HB PHE 39 2HB PHE 39 2.700 1.658 -11.982 278 2HB PHE 39 1HB PHE 39 1.013 1.200 -12.143 279 HD1 PHE 39 1HD PHE 39 3.548 3.645 -12.994 280 HD2 PHE 39 2HD PHE 39 -0.624 2.805 -13.057 281 HE1 PHE 39 1HE PHE 39 3.218 5.431 -14.654 282 HE2 PHE 39 2HE PHE 39 -0.961 4.588 -14.720 283 HZ PHE 39 HZ PHE 39 0.962 5.901 -15.520 284 H ARG 40 H ARG 40 2.179 2.483 -8.070 285 HA ARG 40 HA ARG 40 1.646 -0.359 -7.666 286 1HB ARG 40 2HB ARG 40 3.962 1.174 -6.436 287 2HB ARG 40 1HB ARG 40 3.512 -0.479 -6.061 288 1HG ARG 40 2HG ARG 40 3.835 -0.852 -8.615 289 2HG ARG 40 1HG ARG 40 4.764 0.644 -8.499 290 1HD ARG 40 2HD ARG 40 6.272 -1.229 -8.246 291 2HD ARG 40 1HD ARG 40 6.139 -0.386 -6.702 292 HE ARG 40 HE ARG 40 4.238 -2.385 -6.636 293 1HH1 ARG 40 1HH1 ARG 40 7.773 -2.278 -6.879 294 2HH1 ARG 40 2HH1 ARG 40 8.001 -3.870 -6.311 295 1HH2 ARG 40 1HH2 ARG 40 4.562 -4.562 -5.791 296 2HH2 ARG 40 2HH2 ARG 40 6.130 -5.192 -5.677 297 H CYS 41 H CYS 41 1.286 -0.961 -5.509 298 HA CYS 41 HA CYS 41 -0.479 0.833 -4.146 299 1HB CYS 41 2HB CYS 41 -1.101 -1.428 -4.485 300 2HB CYS 41 1HB CYS 41 0.379 -2.040 -3.778 301 H TRP 42 H TRP 42 -0.041 1.763 -2.221 302 HA TRP 42 HA TRP 42 2.551 1.274 -0.949 303 1HB TRP 42 2HB TRP 42 1.061 3.843 -1.471 304 2HB TRP 42 1HB TRP 42 2.279 3.704 -0.215 305 HD1 TRP 42 HD TRP 42 2.011 3.329 -4.084 306 HE1 TRP 42 1HE TRP 42 4.315 4.035 -5.059 307 HE3 TRP 42 3HE TRP 42 4.605 4.143 0.269 308 HZ2 TRP 42 2HZ TRP 42 6.760 4.753 -4.166 309 HZ3 TRP 42 3HZ TRP 42 6.881 4.859 0.139 310 HH2 TRP 42 HH TRP 42 8.008 5.171 -2.034 311 H CYS 43 H CYS 43 2.227 0.534 1.033 312 HA CYS 43 HA CYS 43 -0.389 0.768 2.282 313 1HB CYS 43 2HB CYS 43 2.075 -0.788 3.081 314 2HB CYS 43 1HB CYS 43 0.511 -0.846 3.888 315 H THR 44 H THR 44 -0.700 2.107 4.047 316 HA THR 44 HA THR 44 1.590 3.712 4.784 317 HB THR 44 HB THR 44 -1.273 4.078 5.708 318 HG1 THR 44 1HG THR 44 -0.108 4.983 3.214 319 1HG2 THR 44 1HG2 THR 44 1.034 5.999 5.305 320 2HG2 THR 44 2HG2 THR 44 0.480 5.365 6.852 321 3HG2 THR 44 3HG2 THR 44 -0.559 6.439 5.917 322 H ARG 45 H ARG 45 2.353 3.519 6.878 323 HA ARG 45 HA ARG 45 0.877 1.775 8.657 324 1HB ARG 45 2HB ARG 45 3.063 0.751 9.389 325 2HB ARG 45 1HB ARG 45 2.536 0.307 7.776 326 1HG ARG 45 2HG ARG 45 4.125 1.909 6.817 327 2HG ARG 45 1HG ARG 45 4.650 2.352 8.442 328 1HD ARG 45 2HD ARG 45 5.469 0.112 8.836 329 2HD ARG 45 1HD ARG 45 4.810 -0.431 7.293 330 HE ARG 45 HE ARG 45 6.480 1.518 6.520 331 1HH1 ARG 45 1HH1 ARG 45 7.028 -1.249 8.668 332 2HH1 ARG 45 2HH1 ARG 45 8.678 -1.396 8.304 333 1HH2 ARG 45 1HH2 ARG 45 8.701 1.306 5.980 334 2HH2 ARG 45 2HH2 ARG 45 9.670 0.103 6.713 335 H ASN 46 H ASN 46 0.935 2.375 10.802 336 HA ASN 46 HA ASN 46 1.688 4.990 11.328 337 1HB ASN 46 2HB ASN 46 0.632 2.692 12.937 338 2HB ASN 46 1HB ASN 46 1.088 4.232 13.640 339 1HD2 ASN 46 1HD2 ASN 46 -1.538 2.963 13.511 340 2HD2 ASN 46 2HD2 ASN 46 -2.579 4.062 12.698 341 H CYS 47 H CYS 47 3.512 5.701 12.086 342 HA CYS 47 HA CYS 47 5.401 3.819 13.228 343 1HB CYS 47 2HB CYS 47 7.211 5.299 12.193 344 2HB CYS 47 1HB CYS 47 6.297 4.312 11.063 Start of MODEL 17 1 1H LYS 1 1HT LYS 1 5.083 8.514 13.659 2 2H LYS 1 2HT LYS 1 3.718 9.484 13.612 3 3H LYS 1 3HT LYS 1 5.223 10.194 13.932 4 HA LYS 1 HA LYS 1 4.572 10.614 11.655 5 1HB LYS 1 2HB LYS 1 6.570 8.344 11.714 6 2HB LYS 1 1HB LYS 1 6.347 9.483 10.429 7 1HG LYS 1 2HG LYS 1 7.205 11.285 11.764 8 2HG LYS 1 1HG LYS 1 7.309 10.230 13.171 9 1HD LYS 1 2HD LYS 1 9.526 10.407 12.274 10 2HD LYS 1 1HD LYS 1 8.931 8.805 11.886 11 1HE LYS 1 2HE LYS 1 8.899 11.126 9.937 12 2HE LYS 1 1HE LYS 1 10.224 9.982 10.056 13 1HZ LYS 1 1HZ LYS 1 7.429 9.394 9.144 14 2HZ LYS 1 2HZ LYS 1 8.597 8.208 9.462 15 3HZ LYS 1 3HZ LYS 1 8.857 9.317 8.268 16 H THR 2 H THR 2 4.652 9.213 9.505 17 HA THR 2 HA THR 2 3.218 6.748 9.897 18 HB THR 2 HB THR 2 2.067 7.259 7.752 19 HG1 THR 2 1HG THR 2 3.325 9.229 7.356 20 1HG2 THR 2 1HG2 THR 2 0.884 7.151 9.871 21 2HG2 THR 2 2HG2 THR 2 0.202 8.423 8.866 22 3HG2 THR 2 3HG2 THR 2 1.277 8.839 10.204 23 H CYS 3 H CYS 3 4.093 5.260 8.955 24 HA CYS 3 HA CYS 3 6.287 5.760 7.100 25 1HB CYS 3 2HB CYS 3 5.666 3.379 8.882 26 2HB CYS 3 1HB CYS 3 6.988 3.427 7.725 27 H GLU 4 H GLU 4 6.103 4.996 5.079 28 HA GLU 4 HA GLU 4 3.712 3.442 4.488 29 1HB GLU 4 2HB GLU 4 3.535 5.921 4.004 30 2HB GLU 4 1HB GLU 4 4.836 5.703 2.865 31 1HG GLU 4 2HG GLU 4 3.513 4.304 1.505 32 2HG GLU 4 1HG GLU 4 2.207 4.283 2.699 33 H ASN 5 H ASN 5 4.104 1.783 3.183 34 HA ASN 5 HA ASN 5 6.677 1.610 1.817 35 1HB ASN 5 2HB ASN 5 5.603 -0.445 3.768 36 2HB ASN 5 1HB ASN 5 6.887 -0.764 2.620 37 1HD2 ASN 5 1HD2 ASN 5 8.880 0.122 2.963 38 2HD2 ASN 5 2HD2 ASN 5 9.379 0.762 4.489 39 H LEU 6 H LEU 6 6.710 -0.152 0.334 40 HA LEU 6 HA LEU 6 4.423 -0.149 -1.264 41 1HB LEU 6 2HB LEU 6 6.997 -1.512 -1.094 42 2HB LEU 6 1HB LEU 6 5.859 -1.965 -2.335 43 HG LEU 6 HG LEU 6 6.999 0.824 -1.986 44 1HD1 LEU 6 1HD1 LEU 6 8.389 0.296 -3.919 45 2HD1 LEU 6 2HD1 LEU 6 7.772 -1.356 -3.925 46 3HD1 LEU 6 3HD1 LEU 6 8.760 -0.787 -2.578 47 1HD2 LEU 6 1HD2 LEU 6 6.136 1.158 -4.237 48 2HD2 LEU 6 2HD2 LEU 6 4.846 0.736 -3.116 49 3HD2 LEU 6 3HD2 LEU 6 5.477 -0.476 -4.231 50 H ALA 7 H ALA 7 2.931 -1.736 -1.529 51 HA ALA 7 HA ALA 7 2.522 -3.704 0.434 52 1HB ALA 7 1HB ALA 7 0.849 -4.563 -1.185 53 2HB ALA 7 2HB ALA 7 1.468 -3.402 -2.369 54 3HB ALA 7 3HB ALA 7 0.703 -2.831 -0.889 55 H ASN 8 H ASN 8 3.496 -5.578 0.619 56 HA ASN 8 HA ASN 8 5.681 -6.175 -1.145 57 1HB ASN 8 2HB ASN 8 4.692 -7.715 1.260 58 2HB ASN 8 1HB ASN 8 6.185 -8.030 0.390 59 1HD2 ASN 8 1HD2 ASN 8 4.589 -6.040 2.688 60 2HD2 ASN 8 2HD2 ASN 8 5.952 -5.104 3.154 61 H THR 9 H THR 9 2.497 -7.373 -0.614 62 HA THR 9 HA THR 9 3.122 -9.612 -2.375 63 HB THR 9 HB THR 9 0.840 -10.499 -1.641 64 HG1 THR 9 1HG THR 9 1.185 -8.383 0.256 65 1HG2 THR 9 1HG2 THR 9 2.980 -10.095 0.454 66 2HG2 THR 9 2HG2 THR 9 2.942 -11.380 -0.750 67 3HG2 THR 9 3HG2 THR 9 1.710 -11.314 0.510 68 H TYR 10 H TYR 10 2.415 -6.704 -2.955 69 HA TYR 10 HA TYR 10 0.416 -7.306 -5.037 70 1HB TYR 10 2HB TYR 10 -0.167 -5.417 -3.410 71 2HB TYR 10 1HB TYR 10 1.208 -4.538 -4.057 72 HD1 TYR 10 1HD TYR 10 -2.263 -5.350 -4.465 73 HD2 TYR 10 2HD TYR 10 1.162 -3.925 -6.561 74 HE1 TYR 10 1HE TYR 10 -3.720 -4.451 -6.234 75 HE2 TYR 10 2HE TYR 10 -0.287 -3.024 -8.325 76 HH TYR 10 HH TYR 10 -2.543 -3.494 -9.221 77 H ARG 11 H ARG 11 1.416 -7.716 -6.826 78 HA ARG 11 HA ARG 11 3.991 -6.415 -7.346 79 1HB ARG 11 2HB ARG 11 4.178 -8.784 -6.628 80 2HB ARG 11 1HB ARG 11 3.204 -9.248 -8.012 81 1HG ARG 11 2HG ARG 11 4.942 -8.310 -9.486 82 2HG ARG 11 1HG ARG 11 5.927 -7.983 -8.060 83 1HD ARG 11 2HD ARG 11 6.615 -10.086 -9.048 84 2HD ARG 11 1HD ARG 11 5.856 -10.370 -7.481 85 HE ARG 11 HE ARG 11 4.190 -10.553 -9.846 86 1HH1 ARG 11 1HH1 ARG 11 5.912 -12.291 -7.254 87 2HH1 ARG 11 2HH1 ARG 11 5.142 -13.772 -7.529 88 1HH2 ARG 11 1HH2 ARG 11 3.109 -12.603 -10.200 89 2HH2 ARG 11 2HH2 ARG 11 3.512 -13.951 -9.222 90 H GLY 12 H GLY 12 3.256 -4.911 -8.773 91 1HA GLY 12 2HA GLY 12 3.190 -5.177 -11.362 92 2HA GLY 12 1HA GLY 12 1.548 -5.698 -10.972 93 HA PRO 13 HA PRO 13 1.714 -1.037 -11.051 94 1HB PRO 13 2HB PRO 13 -0.112 -1.082 -13.302 95 2HB PRO 13 1HB PRO 13 1.494 -0.360 -13.210 96 1HG PRO 13 2HG PRO 13 0.943 -2.535 -14.734 97 2HG PRO 13 1HG PRO 13 2.529 -2.229 -14.004 98 1HD PRO 13 2HD PRO 13 0.334 -4.046 -13.063 99 2HD PRO 13 1HD PRO 13 2.085 -4.347 -13.130 100 H CYS 14 H CYS 14 0.284 0.070 -10.023 101 HA CYS 14 HA CYS 14 -2.350 -1.077 -9.487 102 1HB CYS 14 2HB CYS 14 -0.973 -0.973 -7.519 103 2HB CYS 14 1HB CYS 14 -0.532 0.694 -7.862 104 H PHE 15 H PHE 15 -4.112 0.206 -9.801 105 HA PHE 15 HA PHE 15 -3.683 2.984 -10.643 106 1HB PHE 15 2HB PHE 15 -5.454 0.989 -12.070 107 2HB PHE 15 1HB PHE 15 -5.295 2.689 -12.476 108 HD1 PHE 15 1HD PHE 15 -3.950 -0.614 -12.892 109 HD2 PHE 15 2HD PHE 15 -3.095 3.521 -13.356 110 HE1 PHE 15 1HE PHE 15 -2.110 -1.177 -14.416 111 HE2 PHE 15 2HE PHE 15 -1.245 2.966 -14.879 112 HZ PHE 15 HZ PHE 15 -0.753 0.619 -15.413 113 H THR 16 H THR 16 -4.992 1.206 -8.335 114 HA THR 16 HA THR 16 -7.285 2.965 -7.990 115 HB THR 16 HB THR 16 -7.518 -0.051 -7.958 116 HG1 THR 16 1HG THR 16 -7.775 1.826 -9.830 117 1HG2 THR 16 1HG2 THR 16 -8.954 1.008 -6.250 118 2HG2 THR 16 2HG2 THR 16 -9.915 0.335 -7.569 119 3HG2 THR 16 3HG2 THR 16 -9.618 2.074 -7.489 120 H THR 17 H THR 17 -7.161 3.764 -5.977 121 HA THR 17 HA THR 17 -5.351 2.590 -4.130 122 HB THR 17 HB THR 17 -5.644 5.106 -4.471 123 HG1 THR 17 1HG THR 17 -6.037 4.544 -1.775 124 1HG2 THR 17 1HG2 THR 17 -7.983 4.597 -2.686 125 2HG2 THR 17 2HG2 THR 17 -8.088 5.251 -4.336 126 3HG2 THR 17 3HG2 THR 17 -7.302 6.178 -3.031 127 H GLY 18 H GLY 18 -8.772 2.463 -4.539 128 1HA GLY 18 2HA GLY 18 -9.452 1.592 -1.936 129 2HA GLY 18 1HA GLY 18 -10.375 1.293 -3.411 130 H SER 19 H SER 19 -8.235 -0.030 -4.759 131 HA SER 19 HA SER 19 -8.728 -2.664 -3.733 132 1HB SER 19 2HB SER 19 -8.681 -2.088 -6.203 133 2HB SER 19 1HB SER 19 -6.943 -1.841 -6.053 134 HG SER 19 HG SER 19 -8.413 -4.208 -5.613 135 H CYS 20 H CYS 20 -6.220 -0.283 -3.749 136 HA CYS 20 HA CYS 20 -4.124 -1.943 -2.821 137 1HB CYS 20 2HB CYS 20 -3.653 0.258 -3.929 138 2HB CYS 20 1HB CYS 20 -4.467 1.053 -2.639 139 H ASP 21 H ASP 21 -6.398 0.327 -1.171 140 HA ASP 21 HA ASP 21 -5.492 -0.152 1.435 141 1HB ASP 21 2HB ASP 21 -7.062 1.656 0.971 142 2HB ASP 21 1HB ASP 21 -8.326 0.490 0.555 143 H ASP 22 H ASP 22 -8.091 -1.720 -0.363 144 HA ASP 22 HA ASP 22 -8.947 -3.689 1.345 145 1HB ASP 22 2HB ASP 22 -9.896 -3.455 -0.864 146 2HB ASP 22 1HB ASP 22 -8.361 -3.850 -1.617 147 H HIS 23 H HIS 23 -6.201 -3.832 -0.817 148 HA HIS 23 HA HIS 23 -5.261 -6.381 -0.148 149 1HB HIS 23 2HB HIS 23 -4.631 -5.298 -2.225 150 2HB HIS 23 1HB HIS 23 -3.862 -3.988 -1.342 151 HD1 HIS 23 1HD HIS 23 -3.355 -7.548 -2.360 152 HD2 HIS 23 2HD HIS 23 -1.307 -4.510 -0.430 153 HE1 HIS 23 1HE HIS 23 -1.009 -8.362 -2.106 154 HE2 HIS 23 2HE HIS 23 0.067 -6.633 -0.620 155 H CYS 24 H CYS 24 -4.159 -3.185 0.965 156 HA CYS 24 HA CYS 24 -2.146 -4.228 2.642 157 1HB CYS 24 2HB CYS 24 -3.497 -1.522 2.655 158 2HB CYS 24 1HB CYS 24 -2.045 -1.899 3.568 159 H LYS 25 H LYS 25 -5.601 -3.632 3.219 160 HA LYS 25 HA LYS 25 -5.456 -3.823 6.012 161 1HB LYS 25 2HB LYS 25 -7.570 -4.071 3.910 162 2HB LYS 25 1HB LYS 25 -7.901 -4.263 5.609 163 1HG LYS 25 2HG LYS 25 -6.621 -1.785 4.520 164 2HG LYS 25 1HG LYS 25 -8.364 -1.999 4.491 165 1HD LYS 25 2HD LYS 25 -8.322 -2.334 6.926 166 2HD LYS 25 1HD LYS 25 -6.588 -2.005 6.916 167 1HE LYS 25 2HE LYS 25 -7.952 -0.029 7.516 168 2HE LYS 25 1HE LYS 25 -6.951 0.213 6.093 169 1HZ LYS 25 1HZ LYS 25 -8.887 -0.074 4.692 170 2HZ LYS 25 2HZ LYS 25 -9.192 1.098 5.850 171 3HZ LYS 25 3HZ LYS 25 -9.860 -0.429 6.037 172 H ASN 26 H ASN 26 -6.855 -5.947 3.511 173 HA ASN 26 HA ASN 26 -7.337 -8.042 5.304 174 1HB ASN 26 2HB ASN 26 -8.821 -7.748 3.513 175 2HB ASN 26 1HB ASN 26 -7.528 -7.755 2.325 176 1HD2 ASN 26 1HD2 ASN 26 -6.848 -9.678 1.512 177 2HD2 ASN 26 2HD2 ASN 26 -7.549 -11.202 1.892 178 H LYS 27 H LYS 27 -4.858 -7.585 2.844 179 HA LYS 27 HA LYS 27 -3.859 -10.257 3.387 180 1HB LYS 27 2HB LYS 27 -4.095 -9.520 1.082 181 2HB LYS 27 1HB LYS 27 -2.994 -8.188 1.370 182 1HG LYS 27 2HG LYS 27 -1.822 -9.894 0.183 183 2HG LYS 27 1HG LYS 27 -1.209 -9.860 1.834 184 1HD LYS 27 2HD LYS 27 -2.560 -11.801 2.398 185 2HD LYS 27 1HD LYS 27 -3.271 -11.802 0.786 186 1HE LYS 27 2HE LYS 27 -1.001 -12.142 -0.158 187 2HE LYS 27 1HE LYS 27 -0.374 -12.269 1.481 188 1HZ LYS 27 1HZ LYS 27 -0.773 -14.436 0.551 189 2HZ LYS 27 2HZ LYS 27 -2.379 -14.052 0.229 190 3HZ LYS 27 3HZ LYS 27 -1.857 -14.177 1.822 191 H GLU 28 H GLU 28 -2.783 -6.875 3.729 192 HA GLU 28 HA GLU 28 -0.367 -7.999 4.905 193 1HB GLU 28 2HB GLU 28 -0.653 -5.284 3.640 194 2HB GLU 28 1HB GLU 28 0.832 -5.919 4.350 195 1HG GLU 28 2HG GLU 28 0.423 -7.938 2.781 196 2HG GLU 28 1HG GLU 28 -0.656 -6.871 1.946 197 H HIS 29 H HIS 29 -3.109 -6.636 5.927 198 HA HIS 29 HA HIS 29 -3.896 -6.041 7.921 199 1HB HIS 29 2HB HIS 29 -2.604 -8.171 8.476 200 2HB HIS 29 1HB HIS 29 -1.345 -7.124 9.110 201 HD1 HIS 29 1HD HIS 29 -1.561 -6.524 11.507 202 HD2 HIS 29 2HD HIS 29 -5.165 -7.749 9.879 203 HE1 HIS 29 1HE HIS 29 -3.173 -6.632 13.446 204 HE2 HIS 29 2HE HIS 29 -5.319 -7.486 12.445 205 H LEU 30 H LEU 30 -2.465 -3.969 6.567 206 HA LEU 30 HA LEU 30 -1.246 -2.573 8.831 207 1HB LEU 30 2HB LEU 30 -0.947 -1.975 5.896 208 2HB LEU 30 1HB LEU 30 -0.285 -0.989 7.170 209 HG LEU 30 HG LEU 30 0.491 -3.863 6.668 210 1HD1 LEU 30 1HD1 LEU 30 1.989 -1.301 6.174 211 2HD1 LEU 30 2HD1 LEU 30 1.346 -2.402 4.950 212 3HD1 LEU 30 3HD1 LEU 30 2.642 -2.931 6.008 213 1HD2 LEU 30 1HD2 LEU 30 2.250 -3.407 8.325 214 2HD2 LEU 30 2HD2 LEU 30 0.639 -3.333 9.022 215 3HD2 LEU 30 3HD2 LEU 30 1.511 -1.841 8.662 216 H ARG 31 H ARG 31 -1.429 -0.012 8.173 217 HA ARG 31 HA ARG 31 -3.859 0.606 9.443 218 1HB ARG 31 2HB ARG 31 -1.670 1.943 9.415 219 2HB ARG 31 1HB ARG 31 -2.173 2.536 7.898 220 1HG ARG 31 2HG ARG 31 -4.180 3.531 8.756 221 2HG ARG 31 1HG ARG 31 -3.843 2.900 10.364 222 1HD ARG 31 2HD ARG 31 -3.194 5.215 10.303 223 2HD ARG 31 1HD ARG 31 -1.759 4.221 10.394 224 HE ARG 31 HE ARG 31 -1.406 4.632 8.034 225 1HH1 ARG 31 1HH1 ARG 31 -3.745 6.810 9.610 226 2HH1 ARG 31 2HH1 ARG 31 -3.394 8.141 8.633 227 1HH2 ARG 31 1HH2 ARG 31 -0.928 6.496 6.657 228 2HH2 ARG 31 2HH2 ARG 31 -1.807 7.937 6.886 229 H SER 32 H SER 32 -2.793 1.447 6.170 230 HA SER 32 HA SER 32 -5.395 1.035 5.026 231 1HB SER 32 2HB SER 32 -4.148 3.785 4.839 232 2HB SER 32 1HB SER 32 -5.727 3.283 4.271 233 HG SER 32 HG SER 32 -5.833 2.767 6.774 234 H GLY 33 H GLY 33 -5.076 1.839 2.676 235 1HA GLY 33 2HA GLY 33 -2.291 1.571 1.866 236 2HA GLY 33 1HA GLY 33 -3.472 0.466 1.165 237 H ARG 34 H ARG 34 -1.787 2.697 0.076 238 HA ARG 34 HA ARG 34 -3.967 3.961 -1.385 239 1HB ARG 34 2HB ARG 34 -1.669 5.402 -0.111 240 2HB ARG 34 1HB ARG 34 -2.497 6.006 -1.544 241 1HG ARG 34 2HG ARG 34 -4.531 5.991 -0.427 242 2HG ARG 34 1HG ARG 34 -3.801 5.430 1.098 243 1HD ARG 34 2HD ARG 34 -3.295 8.049 -0.350 244 2HD ARG 34 1HD ARG 34 -4.058 7.850 1.227 245 HE ARG 34 HE ARG 34 -1.465 6.750 1.285 246 1HH1 ARG 34 1HH1 ARG 34 -3.031 9.926 1.152 247 2HH1 ARG 34 2HH1 ARG 34 -1.741 10.749 1.889 248 1HH2 ARG 34 1HH2 ARG 34 0.322 7.860 2.232 249 2HH2 ARG 34 2HH2 ARG 34 0.219 9.533 2.543 250 H CYS 35 H CYS 35 -3.689 4.386 -3.228 251 HA CYS 35 HA CYS 35 -1.425 3.036 -4.523 252 1HB CYS 35 2HB CYS 35 -3.722 2.295 -5.088 253 2HB CYS 35 1HB CYS 35 -4.027 3.891 -5.788 254 H ARG 36 H ARG 36 0.085 4.391 -4.820 255 HA ARG 36 HA ARG 36 -0.430 7.212 -5.184 256 1HB ARG 36 2HB ARG 36 2.107 5.590 -4.931 257 2HB ARG 36 1HB ARG 36 2.082 7.340 -5.112 258 1HG ARG 36 2HG ARG 36 0.883 7.570 -3.026 259 2HG ARG 36 1HG ARG 36 0.740 5.832 -2.885 260 1HD ARG 36 2HD ARG 36 2.496 6.796 -1.440 261 2HD ARG 36 1HD ARG 36 3.083 5.583 -2.560 262 HE ARG 36 HE ARG 36 3.545 7.914 -3.858 263 1HH1 ARG 36 1HH1 ARG 36 4.268 6.927 -0.535 264 2HH1 ARG 36 2HH1 ARG 36 5.819 7.614 -0.492 265 1HH2 ARG 36 1HH2 ARG 36 5.645 8.847 -3.851 266 2HH2 ARG 36 2HH2 ARG 36 6.642 8.778 -2.462 267 H ASP 37 H ASP 37 0.683 8.380 -6.969 268 HA ASP 37 HA ASP 37 0.216 7.046 -9.480 269 1HB ASP 37 2HB ASP 37 1.337 9.813 -8.938 270 2HB ASP 37 1HB ASP 37 0.971 9.191 -10.542 271 H ASP 38 H ASP 38 2.399 6.569 -7.507 272 HA ASP 38 HA ASP 38 4.843 6.326 -8.988 273 1HB ASP 38 2HB ASP 38 4.749 6.490 -6.517 274 2HB ASP 38 1HB ASP 38 3.829 5.000 -6.459 275 H PHE 39 H PHE 39 1.834 4.875 -8.911 276 HA PHE 39 HA PHE 39 0.801 3.256 -10.006 277 1HB PHE 39 2HB PHE 39 3.476 2.702 -11.321 278 2HB PHE 39 1HB PHE 39 1.974 1.903 -11.757 279 HD1 PHE 39 1HD PHE 39 0.070 3.289 -12.630 280 HD2 PHE 39 2HD PHE 39 4.013 4.820 -12.208 281 HE1 PHE 39 1HE PHE 39 -0.476 5.110 -14.184 282 HE2 PHE 39 2HE PHE 39 3.472 6.649 -13.764 283 HZ PHE 39 HZ PHE 39 1.224 6.796 -14.753 284 H ARG 40 H ARG 40 2.229 2.900 -7.470 285 HA ARG 40 HA ARG 40 1.978 -0.016 -7.407 286 1HB ARG 40 2HB ARG 40 4.056 1.585 -5.911 287 2HB ARG 40 1HB ARG 40 3.782 -0.138 -5.750 288 1HG ARG 40 2HG ARG 40 4.676 1.254 -8.250 289 2HG ARG 40 1HG ARG 40 5.728 0.405 -7.105 290 1HD ARG 40 2HD ARG 40 3.463 -0.891 -8.635 291 2HD ARG 40 1HD ARG 40 5.145 -0.898 -9.149 292 HE ARG 40 HE ARG 40 4.560 -1.962 -6.506 293 1HH1 ARG 40 1HH1 ARG 40 5.141 -2.653 -9.924 294 2HH1 ARG 40 2HH1 ARG 40 5.776 -4.201 -9.674 295 1HH2 ARG 40 1HH2 ARG 40 5.413 -4.134 -6.128 296 2HH2 ARG 40 2HH2 ARG 40 5.949 -5.059 -7.445 297 H CYS 41 H CYS 41 1.477 -0.823 -5.306 298 HA CYS 41 HA CYS 41 -0.378 0.886 -3.918 299 1HB CYS 41 2HB CYS 41 -1.087 -1.258 -4.564 300 2HB CYS 41 1HB CYS 41 0.287 -2.061 -3.805 301 H TRP 42 H TRP 42 0.217 1.927 -2.162 302 HA TRP 42 HA TRP 42 2.580 1.027 -0.700 303 1HB TRP 42 2HB TRP 42 1.445 3.762 -1.238 304 2HB TRP 42 1HB TRP 42 2.559 3.466 0.082 305 HD1 TRP 42 HD TRP 42 2.440 3.404 -3.784 306 HE1 TRP 42 1HE TRP 42 4.892 3.758 -4.656 307 HE3 TRP 42 3HE TRP 42 4.983 3.349 0.698 308 HZ2 TRP 42 2HZ TRP 42 7.444 4.024 -3.568 309 HZ3 TRP 42 3HZ TRP 42 7.353 3.694 0.682 310 HH2 TRP 42 HH TRP 42 8.582 4.015 -1.379 311 H CYS 43 H CYS 43 2.055 0.246 1.182 312 HA CYS 43 HA CYS 43 -0.531 0.713 2.416 313 1HB CYS 43 2HB CYS 43 1.790 -1.025 3.266 314 2HB CYS 43 1HB CYS 43 0.155 -1.055 3.915 315 H THR 44 H THR 44 -0.703 1.974 4.338 316 HA THR 44 HA THR 44 1.760 3.320 5.054 317 HB THR 44 HB THR 44 0.221 4.840 3.963 318 HG1 THR 44 1HG THR 44 0.964 6.137 5.422 319 1HG2 THR 44 1HG2 THR 44 -1.844 3.994 5.996 320 2HG2 THR 44 2HG2 THR 44 -1.872 3.645 4.268 321 3HG2 THR 44 3HG2 THR 44 -2.037 5.308 4.836 322 H ARG 45 H ARG 45 1.959 3.740 7.322 323 HA ARG 45 HA ARG 45 0.133 2.488 9.166 324 1HB ARG 45 2HB ARG 45 2.001 1.120 10.190 325 2HB ARG 45 1HB ARG 45 1.465 0.547 8.614 326 1HG ARG 45 2HG ARG 45 3.392 1.669 7.583 327 2HG ARG 45 1HG ARG 45 3.911 2.200 9.176 328 1HD ARG 45 2HD ARG 45 4.323 -0.054 9.869 329 2HD ARG 45 1HD ARG 45 3.579 -0.688 8.398 330 HE ARG 45 HE ARG 45 5.441 0.612 7.241 331 1HH1 ARG 45 1HH1 ARG 45 5.923 -0.950 10.402 332 2HH1 ARG 45 2HH1 ARG 45 7.565 -1.285 10.123 333 1HH2 ARG 45 1HH2 ARG 45 7.678 0.210 6.893 334 2HH2 ARG 45 2HH2 ARG 45 8.623 -0.561 8.064 335 H ASN 46 H ASN 46 0.547 3.135 11.357 336 HA ASN 46 HA ASN 46 1.705 5.712 11.515 337 1HB ASN 46 2HB ASN 46 0.242 3.849 13.348 338 2HB ASN 46 1HB ASN 46 0.899 5.380 13.877 339 1HD2 ASN 46 1HD2 ASN 46 -1.855 4.369 13.755 340 2HD2 ASN 46 2HD2 ASN 46 -2.746 5.518 12.836 341 H CYS 47 H CYS 47 3.575 6.171 12.615 342 HA CYS 47 HA CYS 47 4.860 4.102 14.123 343 1HB CYS 47 2HB CYS 47 7.064 4.528 12.887 344 2HB CYS 47 1HB CYS 47 5.861 3.579 12.023 Start of MODEL 18 1 1H LYS 1 1HT LYS 1 4.958 8.286 13.670 2 2H LYS 1 2HT LYS 1 3.357 8.690 13.783 3 3H LYS 1 3HT LYS 1 4.516 9.784 14.344 4 HA LYS 1 HA LYS 1 3.673 10.502 12.171 5 1HB LYS 1 2HB LYS 1 6.316 9.082 11.762 6 2HB LYS 1 1HB LYS 1 5.690 10.409 10.815 7 1HG LYS 1 2HG LYS 1 5.896 11.901 12.712 8 2HG LYS 1 1HG LYS 1 6.499 10.572 13.705 9 1HD LYS 1 2HD LYS 1 8.387 10.305 12.111 10 2HD LYS 1 1HD LYS 1 7.788 11.705 11.227 11 1HE LYS 1 2HE LYS 1 9.623 12.293 12.738 12 2HE LYS 1 1HE LYS 1 8.129 13.116 13.174 13 1HZ LYS 1 1HZ LYS 1 9.359 12.195 15.076 14 2HZ LYS 1 2HZ LYS 1 9.069 10.627 14.524 15 3HZ LYS 1 3HZ LYS 1 7.796 11.629 14.965 16 H THR 2 H THR 2 4.174 9.692 9.724 17 HA THR 2 HA THR 2 3.207 6.961 9.648 18 HB THR 2 HB THR 2 2.051 7.568 7.508 19 HG1 THR 2 1HG THR 2 2.370 10.230 8.531 20 1HG2 THR 2 1HG2 THR 2 0.050 8.481 8.640 21 2HG2 THR 2 2HG2 THR 2 1.042 8.841 10.052 22 3HG2 THR 2 3HG2 THR 2 0.791 7.167 9.551 23 H CYS 3 H CYS 3 4.214 5.646 8.451 24 HA CYS 3 HA CYS 3 6.323 6.635 6.695 25 1HB CYS 3 2HB CYS 3 6.189 4.113 8.408 26 2HB CYS 3 1HB CYS 3 7.471 4.473 7.257 27 H GLU 4 H GLU 4 6.234 5.751 4.583 28 HA GLU 4 HA GLU 4 4.105 3.798 4.197 29 1HB GLU 4 2HB GLU 4 3.389 6.208 3.760 30 2HB GLU 4 1HB GLU 4 4.531 6.205 2.440 31 1HG GLU 4 2HG GLU 4 3.319 4.588 1.254 32 2HG GLU 4 1HG GLU 4 2.322 4.215 2.658 33 H ASN 5 H ASN 5 4.461 2.407 2.477 34 HA ASN 5 HA ASN 5 6.703 2.666 0.707 35 1HB ASN 5 2HB ASN 5 7.692 1.834 2.978 36 2HB ASN 5 1HB ASN 5 6.802 0.351 2.628 37 1HD2 ASN 5 1HD2 ASN 5 8.705 -0.837 2.396 38 2HD2 ASN 5 2HD2 ASN 5 9.716 -0.627 1.016 39 H LEU 6 H LEU 6 6.832 0.622 -0.571 40 HA LEU 6 HA LEU 6 4.334 0.212 -1.682 41 1HB LEU 6 2HB LEU 6 6.969 -1.113 -1.923 42 2HB LEU 6 1HB LEU 6 5.613 -1.321 -3.010 43 HG LEU 6 HG LEU 6 7.041 1.301 -2.558 44 1HD1 LEU 6 1HD1 LEU 6 7.265 -0.685 -4.799 45 2HD1 LEU 6 2HD1 LEU 6 8.503 -0.338 -3.590 46 3HD1 LEU 6 3HD1 LEU 6 8.026 0.905 -4.746 47 1HD2 LEU 6 1HD2 LEU 6 5.844 1.970 -4.580 48 2HD2 LEU 6 2HD2 LEU 6 4.733 1.542 -3.286 49 3HD2 LEU 6 3HD2 LEU 6 5.033 0.405 -4.605 50 H ALA 7 H ALA 7 3.080 -1.538 -1.644 51 HA ALA 7 HA ALA 7 2.980 -3.302 0.540 52 1HB ALA 7 1HB ALA 7 1.030 -2.787 -0.821 53 2HB ALA 7 2HB ALA 7 1.309 -4.529 -0.776 54 3HB ALA 7 3HB ALA 7 1.773 -3.591 -2.199 55 H ASN 8 H ASN 8 3.702 -5.337 0.826 56 HA ASN 8 HA ASN 8 6.110 -6.018 -0.595 57 1HB ASN 8 2HB ASN 8 4.665 -7.445 1.642 58 2HB ASN 8 1HB ASN 8 6.253 -7.876 1.029 59 1HD2 ASN 8 1HD2 ASN 8 4.407 -5.555 2.827 60 2HD2 ASN 8 2HD2 ASN 8 5.758 -4.759 3.556 61 H THR 9 H THR 9 2.892 -7.339 -0.286 62 HA THR 9 HA THR 9 3.714 -9.459 -2.122 63 HB THR 9 HB THR 9 1.633 -10.678 -1.310 64 HG1 THR 9 1HG THR 9 1.675 -8.465 0.460 65 1HG2 THR 9 1HG2 THR 9 3.791 -10.057 0.707 66 2HG2 THR 9 2HG2 THR 9 3.889 -11.277 -0.563 67 3HG2 THR 9 3HG2 THR 9 2.719 -11.457 0.746 68 H TYR 10 H TYR 10 2.606 -6.656 -2.575 69 HA TYR 10 HA TYR 10 0.433 -7.437 -4.408 70 1HB TYR 10 2HB TYR 10 0.277 -5.374 -2.831 71 2HB TYR 10 1HB TYR 10 1.392 -4.611 -3.958 72 HD1 TYR 10 1HD TYR 10 -2.005 -5.483 -3.230 73 HD2 TYR 10 2HD TYR 10 0.592 -4.263 -6.377 74 HE1 TYR 10 1HE TYR 10 -3.948 -4.769 -4.534 75 HE2 TYR 10 2HE TYR 10 -1.365 -3.543 -7.703 76 HH TYR 10 HH TYR 10 -3.786 -4.040 -7.817 77 H ARG 11 H ARG 11 1.262 -8.126 -6.186 78 HA ARG 11 HA ARG 11 3.860 -7.147 -7.118 79 1HB ARG 11 2HB ARG 11 3.300 -9.619 -6.668 80 2HB ARG 11 1HB ARG 11 2.290 -9.535 -8.088 81 1HG ARG 11 2HG ARG 11 5.276 -9.087 -8.065 82 2HG ARG 11 1HG ARG 11 4.486 -10.602 -8.479 83 1HD ARG 11 2HD ARG 11 4.297 -7.982 -9.970 84 2HD ARG 11 1HD ARG 11 5.143 -9.441 -10.487 85 HE ARG 11 HE ARG 11 2.537 -10.192 -10.105 86 1HH1 ARG 11 1HH1 ARG 11 4.246 -7.904 -12.175 87 2HH1 ARG 11 2HH1 ARG 11 3.064 -7.915 -13.402 88 1HH2 ARG 11 1HH2 ARG 11 0.922 -10.217 -11.818 89 2HH2 ARG 11 2HH2 ARG 11 1.163 -9.230 -13.183 90 H GLY 12 H GLY 12 3.957 -5.888 -8.915 91 1HA GLY 12 2HA GLY 12 3.439 -5.461 -11.173 92 2HA GLY 12 1HA GLY 12 1.846 -6.148 -10.914 93 HA PRO 13 HA PRO 13 1.633 -1.488 -10.871 94 1HB PRO 13 2HB PRO 13 -0.235 -1.807 -13.109 95 2HB PRO 13 1HB PRO 13 1.231 -0.827 -13.013 96 1HG PRO 13 2HG PRO 13 1.100 -3.027 -14.555 97 2HG PRO 13 1HG PRO 13 2.591 -2.543 -13.727 98 1HD PRO 13 2HD PRO 13 0.574 -4.618 -12.915 99 2HD PRO 13 1HD PRO 13 2.351 -4.724 -12.924 100 H CYS 14 H CYS 14 0.019 -0.361 -10.015 101 HA CYS 14 HA CYS 14 -2.349 -1.823 -9.128 102 1HB CYS 14 2HB CYS 14 -0.980 -1.008 -7.318 103 2HB CYS 14 1HB CYS 14 -0.875 0.581 -8.062 104 H PHE 15 H PHE 15 -4.338 -0.943 -9.564 105 HA PHE 15 HA PHE 15 -4.338 1.541 -11.140 106 1HB PHE 15 2HB PHE 15 -6.130 -0.859 -11.592 107 2HB PHE 15 1HB PHE 15 -6.133 0.635 -12.518 108 HD1 PHE 15 1HD PHE 15 -4.124 1.199 -13.924 109 HD2 PHE 15 2HD PHE 15 -4.644 -2.612 -12.097 110 HE1 PHE 15 1HE PHE 15 -2.462 0.234 -15.458 111 HE2 PHE 15 2HE PHE 15 -2.980 -3.577 -13.625 112 HZ PHE 15 HZ PHE 15 -1.888 -2.158 -15.305 113 H THR 16 H THR 16 -5.300 0.229 -8.246 114 HA THR 16 HA THR 16 -7.525 2.063 -7.975 115 HB THR 16 HB THR 16 -7.970 -0.924 -7.637 116 HG1 THR 16 1HG THR 16 -8.285 0.817 -9.733 117 1HG2 THR 16 1HG2 THR 16 -9.314 0.446 -6.092 118 2HG2 THR 16 2HG2 THR 16 -10.320 -0.320 -7.317 119 3HG2 THR 16 3HG2 THR 16 -9.909 1.391 -7.460 120 H THR 17 H THR 17 -7.376 2.965 -5.972 121 HA THR 17 HA THR 17 -5.695 2.055 -3.928 122 HB THR 17 HB THR 17 -7.886 4.131 -4.020 123 HG1 THR 17 1HG THR 17 -6.283 5.129 -4.875 124 1HG2 THR 17 1HG2 THR 17 -6.056 3.517 -1.672 125 2HG2 THR 17 2HG2 THR 17 -7.809 3.385 -1.695 126 3HG2 THR 17 3HG2 THR 17 -7.046 4.968 -1.829 127 H GLY 18 H GLY 18 -9.091 1.565 -4.569 128 1HA GLY 18 2HA GLY 18 -9.847 0.407 -2.123 129 2HA GLY 18 1HA GLY 18 -10.630 0.106 -3.670 130 H SER 19 H SER 19 -7.945 -0.834 -4.689 131 HA SER 19 HA SER 19 -8.212 -3.591 -3.855 132 1HB SER 19 2HB SER 19 -7.906 -3.075 -6.256 133 2HB SER 19 1HB SER 19 -6.390 -2.264 -5.896 134 HG SER 19 HG SER 19 -5.470 -4.097 -6.062 135 H CYS 20 H CYS 20 -5.931 -0.935 -3.752 136 HA CYS 20 HA CYS 20 -3.803 -2.366 -2.596 137 1HB CYS 20 2HB CYS 20 -3.483 -0.275 -3.886 138 2HB CYS 20 1HB CYS 20 -4.302 0.615 -2.643 139 H ASP 21 H ASP 21 -6.201 -0.115 -1.111 140 HA ASP 21 HA ASP 21 -5.254 -0.263 1.529 141 1HB ASP 21 2HB ASP 21 -6.869 1.405 0.907 142 2HB ASP 21 1HB ASP 21 -8.054 0.180 0.465 143 H ASP 22 H ASP 22 -7.676 -2.125 -0.120 144 HA ASP 22 HA ASP 22 -8.570 -3.859 1.845 145 1HB ASP 22 2HB ASP 22 -9.517 -3.663 -0.405 146 2HB ASP 22 1HB ASP 22 -8.054 -4.347 -1.076 147 H HIS 23 H HIS 23 -5.889 -4.179 -0.373 148 HA HIS 23 HA HIS 23 -4.974 -6.692 0.514 149 1HB HIS 23 2HB HIS 23 -4.468 -5.917 -1.708 150 2HB HIS 23 1HB HIS 23 -3.652 -4.498 -1.075 151 HD1 HIS 23 1HD HIS 23 -3.187 -8.174 -1.612 152 HD2 HIS 23 2HD HIS 23 -1.034 -4.887 -0.285 153 HE1 HIS 23 1HE HIS 23 -0.828 -8.949 -1.405 154 HE2 HIS 23 2HE HIS 23 0.345 -7.005 -0.281 155 H CYS 24 H CYS 24 -3.766 -3.399 1.156 156 HA CYS 24 HA CYS 24 -1.643 -4.224 2.794 157 1HB CYS 24 2HB CYS 24 -3.093 -1.583 2.625 158 2HB CYS 24 1HB CYS 24 -1.607 -1.801 3.524 159 H LYS 25 H LYS 25 -5.015 -3.531 3.512 160 HA LYS 25 HA LYS 25 -4.560 -3.453 6.328 161 1HB LYS 25 2HB LYS 25 -6.663 -2.780 4.547 162 2HB LYS 25 1HB LYS 25 -7.296 -3.876 5.761 163 1HG LYS 25 2HG LYS 25 -5.773 -1.350 6.360 164 2HG LYS 25 1HG LYS 25 -7.530 -1.511 6.371 165 1HD LYS 25 2HD LYS 25 -7.412 -3.131 8.156 166 2HD LYS 25 1HD LYS 25 -5.647 -3.113 8.109 167 1HE LYS 25 2HE LYS 25 -6.539 -1.759 9.951 168 2HE LYS 25 1HE LYS 25 -5.631 -0.788 8.792 169 1HZ LYS 25 1HZ LYS 25 -7.681 0.296 9.460 170 2HZ LYS 25 2HZ LYS 25 -8.594 -0.997 8.929 171 3HZ LYS 25 3HZ LYS 25 -7.722 -0.060 7.823 172 H ASN 26 H ASN 26 -6.315 -5.741 4.195 173 HA ASN 26 HA ASN 26 -6.654 -7.440 6.464 174 1HB ASN 26 2HB ASN 26 -8.536 -7.227 5.073 175 2HB ASN 26 1HB ASN 26 -7.623 -7.602 3.624 176 1HD2 ASN 26 1HD2 ASN 26 -7.259 -9.706 3.106 177 2HD2 ASN 26 2HD2 ASN 26 -7.992 -11.030 3.930 178 H LYS 27 H LYS 27 -4.611 -7.493 3.590 179 HA LYS 27 HA LYS 27 -3.737 -10.141 4.380 180 1HB LYS 27 2HB LYS 27 -4.064 -9.479 1.881 181 2HB LYS 27 1HB LYS 27 -2.600 -8.549 2.070 182 1HG LYS 27 2HG LYS 27 -2.701 -11.509 2.613 183 2HG LYS 27 1HG LYS 27 -2.378 -10.847 1.018 184 1HD LYS 27 2HD LYS 27 -0.365 -9.788 1.815 185 2HD LYS 27 1HD LYS 27 -0.757 -10.206 3.481 186 1HE LYS 27 2HE LYS 27 0.967 -11.675 2.553 187 2HE LYS 27 1HE LYS 27 -0.489 -12.568 2.973 188 1HZ LYS 27 1HZ LYS 27 -1.096 -12.645 0.655 189 2HZ LYS 27 2HZ LYS 27 0.457 -13.224 0.832 190 3HZ LYS 27 3HZ LYS 27 0.199 -11.670 0.221 191 H GLU 28 H GLU 28 -2.250 -6.901 3.994 192 HA GLU 28 HA GLU 28 0.107 -8.051 5.215 193 1HB GLU 28 2HB GLU 28 -0.178 -5.330 3.939 194 2HB GLU 28 1HB GLU 28 1.332 -6.018 4.539 195 1HG GLU 28 2HG GLU 28 0.753 -8.015 3.011 196 2HG GLU 28 1HG GLU 28 -0.351 -6.913 2.245 197 H HIS 29 H HIS 29 -2.523 -6.427 6.222 198 HA HIS 29 HA HIS 29 -3.256 -5.747 8.157 199 1HB HIS 29 2HB HIS 29 -0.877 -7.272 9.191 200 2HB HIS 29 1HB HIS 29 -2.034 -6.510 10.276 201 HD1 HIS 29 1HD HIS 29 -4.303 -7.619 10.528 202 HD2 HIS 29 2HD HIS 29 -1.860 -9.511 7.766 203 HE1 HIS 29 1HE HIS 29 -5.403 -9.840 10.051 204 HE2 HIS 29 2HE HIS 29 -3.889 -10.977 8.411 205 H LEU 30 H LEU 30 -1.689 -3.894 6.752 206 HA LEU 30 HA LEU 30 -0.381 -2.381 8.877 207 1HB LEU 30 2HB LEU 30 -0.419 -1.948 5.890 208 2HB LEU 30 1HB LEU 30 0.430 -0.914 7.023 209 HG LEU 30 HG LEU 30 1.053 -3.830 6.500 210 1HD1 LEU 30 1HD1 LEU 30 3.150 -2.992 5.579 211 2HD1 LEU 30 2HD1 LEU 30 2.571 -1.337 5.778 212 3HD1 LEU 30 3HD1 LEU 30 1.748 -2.436 4.667 213 1HD2 LEU 30 1HD2 LEU 30 1.500 -3.253 8.815 214 2HD2 LEU 30 2HD2 LEU 30 2.427 -1.841 8.311 215 3HD2 LEU 30 3HD2 LEU 30 3.009 -3.461 7.928 216 H ARG 31 H ARG 31 -0.827 0.238 7.914 217 HA ARG 31 HA ARG 31 -3.261 0.753 9.245 218 1HB ARG 31 2HB ARG 31 -1.261 2.345 9.077 219 2HB ARG 31 1HB ARG 31 -1.725 2.578 7.453 220 1HG ARG 31 2HG ARG 31 -3.830 3.551 7.980 221 2HG ARG 31 1HG ARG 31 -3.611 3.214 9.694 222 1HD ARG 31 2HD ARG 31 -1.806 4.766 9.836 223 2HD ARG 31 1HD ARG 31 -1.777 4.968 8.085 224 HE ARG 31 HE ARG 31 -4.226 5.748 8.586 225 1HH1 ARG 31 1HH1 ARG 31 -1.420 6.516 10.598 226 2HH1 ARG 31 2HH1 ARG 31 -1.882 8.130 10.857 227 1HH2 ARG 31 1HH2 ARG 31 -4.867 7.918 8.955 228 2HH2 ARG 31 2HH2 ARG 31 -3.889 8.966 9.884 229 H SER 32 H SER 32 -2.384 1.397 5.863 230 HA SER 32 HA SER 32 -4.965 0.681 4.829 231 1HB SER 32 2HB SER 32 -4.042 3.568 4.608 232 2HB SER 32 1HB SER 32 -5.527 2.876 3.979 233 HG SER 32 HG SER 32 -5.614 2.285 6.441 234 H GLY 33 H GLY 33 -4.791 1.625 2.401 235 1HA GLY 33 2HA GLY 33 -2.044 1.563 1.504 236 2HA GLY 33 1HA GLY 33 -3.116 0.285 0.923 237 H ARG 34 H ARG 34 -1.769 2.616 -0.369 238 HA ARG 34 HA ARG 34 -4.150 3.580 -1.768 239 1HB ARG 34 2HB ARG 34 -1.976 5.272 -0.637 240 2HB ARG 34 1HB ARG 34 -2.897 5.770 -2.049 241 1HG ARG 34 2HG ARG 34 -4.885 5.654 -0.881 242 2HG ARG 34 1HG ARG 34 -4.111 5.051 0.599 243 1HD ARG 34 2HD ARG 34 -3.676 7.737 -0.726 244 2HD ARG 34 1HD ARG 34 -4.485 7.462 0.815 245 HE ARG 34 HE ARG 34 -1.912 6.370 0.948 246 1HH1 ARG 34 1HH1 ARG 34 -3.424 9.556 0.807 247 2HH1 ARG 34 2HH1 ARG 34 -2.134 10.347 1.586 248 1HH2 ARG 34 1HH2 ARG 34 -0.133 7.462 1.981 249 2HH2 ARG 34 2HH2 ARG 34 -0.233 9.143 2.225 250 H CYS 35 H CYS 35 -4.038 4.095 -3.690 251 HA CYS 35 HA CYS 35 -1.808 2.851 -5.112 252 1HB CYS 35 2HB CYS 35 -4.237 2.216 -5.412 253 2HB CYS 35 1HB CYS 35 -4.446 3.765 -6.217 254 H ARG 36 H ARG 36 -0.342 4.298 -5.591 255 HA ARG 36 HA ARG 36 -1.218 7.082 -5.750 256 1HB ARG 36 2HB ARG 36 1.490 5.961 -5.067 257 2HB ARG 36 1HB ARG 36 1.105 7.675 -5.178 258 1HG ARG 36 2HG ARG 36 -0.574 7.400 -3.394 259 2HG ARG 36 1HG ARG 36 -0.134 5.706 -3.273 260 1HD ARG 36 2HD ARG 36 0.934 7.101 -1.538 261 2HD ARG 36 1HD ARG 36 2.090 6.265 -2.568 262 HE ARG 36 HE ARG 36 1.580 8.839 -3.587 263 1HH1 ARG 36 1HH1 ARG 36 3.122 7.368 -0.767 264 2HH1 ARG 36 2HH1 ARG 36 4.413 8.487 -0.733 265 1HH2 ARG 36 1HH2 ARG 36 3.284 10.437 -3.459 266 2HH2 ARG 36 2HH2 ARG 36 4.473 10.284 -2.241 267 H ASP 37 H ASP 37 0.658 8.427 -6.926 268 HA ASP 37 HA ASP 37 0.183 8.159 -9.681 269 1HB ASP 37 2HB ASP 37 0.618 10.309 -8.616 270 2HB ASP 37 1HB ASP 37 2.241 9.800 -8.188 271 H ASP 38 H ASP 38 2.633 6.836 -7.711 272 HA ASP 38 HA ASP 38 4.560 6.184 -9.724 273 1HB ASP 38 2HB ASP 38 4.945 6.274 -7.205 274 2HB ASP 38 1HB ASP 38 4.080 4.748 -7.098 275 H PHE 39 H PHE 39 1.461 5.099 -9.187 276 HA PHE 39 HA PHE 39 0.121 3.477 -9.903 277 1HB PHE 39 2HB PHE 39 2.361 2.891 -11.862 278 2HB PHE 39 1HB PHE 39 0.795 2.104 -11.908 279 HD1 PHE 39 1HD PHE 39 2.644 4.935 -12.979 280 HD2 PHE 39 2HD PHE 39 -1.284 3.594 -12.066 281 HE1 PHE 39 1HE PHE 39 1.698 6.801 -14.289 282 HE2 PHE 39 2HE PHE 39 -2.227 5.450 -13.367 283 HZ PHE 39 HZ PHE 39 -0.736 7.055 -14.478 284 H ARG 40 H ARG 40 1.897 3.027 -7.786 285 HA ARG 40 HA ARG 40 1.772 0.108 -7.728 286 1HB ARG 40 2HB ARG 40 3.922 1.929 -6.665 287 2HB ARG 40 1HB ARG 40 3.699 0.277 -6.094 288 1HG ARG 40 2HG ARG 40 4.052 0.861 -9.009 289 2HG ARG 40 1HG ARG 40 5.437 0.708 -7.926 290 1HD ARG 40 2HD ARG 40 3.285 -1.387 -8.250 291 2HD ARG 40 1HD ARG 40 4.844 -1.419 -9.080 292 HE ARG 40 HE ARG 40 5.721 -1.253 -6.653 293 1HH1 ARG 40 1HH1 ARG 40 3.065 -3.347 -7.796 294 2HH1 ARG 40 2HH1 ARG 40 3.309 -4.481 -6.541 295 1HH2 ARG 40 1HH2 ARG 40 5.986 -2.889 -4.952 296 2HH2 ARG 40 2HH2 ARG 40 4.948 -4.228 -4.934 297 H CYS 41 H CYS 41 1.471 -0.765 -5.589 298 HA CYS 41 HA CYS 41 -0.447 0.749 -4.095 299 1HB CYS 41 2HB CYS 41 -0.917 -1.521 -4.662 300 2HB CYS 41 1HB CYS 41 0.592 -2.089 -3.958 301 H TRP 42 H TRP 42 0.155 1.954 -2.460 302 HA TRP 42 HA TRP 42 2.672 1.410 -1.060 303 1HB TRP 42 2HB TRP 42 1.064 3.944 -1.457 304 2HB TRP 42 1HB TRP 42 2.359 3.815 -0.284 305 HD1 TRP 42 HD TRP 42 1.809 3.700 -4.115 306 HE1 TRP 42 1HE TRP 42 4.014 4.499 -5.244 307 HE3 TRP 42 3HE TRP 42 4.754 4.220 0.046 308 HZ2 TRP 42 2HZ TRP 42 6.594 5.260 -4.466 309 HZ3 TRP 42 3HZ TRP 42 7.034 4.998 -0.221 310 HH2 TRP 42 HH TRP 42 7.957 5.512 -2.432 311 H CYS 43 H CYS 43 2.335 0.579 0.922 312 HA CYS 43 HA CYS 43 -0.288 0.806 2.172 313 1HB CYS 43 2HB CYS 43 2.163 -0.733 3.033 314 2HB CYS 43 1HB CYS 43 0.566 -0.831 3.762 315 H THR 44 H THR 44 -0.612 2.095 3.977 316 HA THR 44 HA THR 44 1.570 3.839 4.708 317 HB THR 44 HB THR 44 -1.317 3.814 5.660 318 HG1 THR 44 1HG THR 44 -0.175 5.165 3.391 319 1HG2 THR 44 1HG2 THR 44 -0.877 6.197 6.160 320 2HG2 THR 44 2HG2 THR 44 0.791 5.983 5.622 321 3HG2 THR 44 3HG2 THR 44 0.210 5.126 7.044 322 H ARG 45 H ARG 45 2.555 3.565 6.720 323 HA ARG 45 HA ARG 45 1.199 1.821 8.565 324 1HB ARG 45 2HB ARG 45 3.422 0.783 9.177 325 2HB ARG 45 1HB ARG 45 2.806 0.347 7.590 326 1HG ARG 45 2HG ARG 45 4.310 2.052 6.607 327 2HG ARG 45 1HG ARG 45 4.969 2.329 8.217 328 1HD ARG 45 2HD ARG 45 5.740 0.048 8.331 329 2HD ARG 45 1HD ARG 45 4.975 -0.317 6.784 330 HE ARG 45 HE ARG 45 6.869 1.840 6.672 331 1HH1 ARG 45 1HH1 ARG 45 6.545 -1.679 6.480 332 2HH1 ARG 45 2HH1 ARG 45 7.934 -1.868 5.518 333 1HH2 ARG 45 1HH2 ARG 45 8.761 1.552 5.403 334 2HH2 ARG 45 2HH2 ARG 45 9.238 -0.010 4.923 335 H ASN 46 H ASN 46 1.301 2.417 10.655 336 HA ASN 46 HA ASN 46 2.008 5.059 11.206 337 1HB ASN 46 2HB ASN 46 0.977 2.720 12.762 338 2HB ASN 46 1HB ASN 46 1.288 4.291 13.468 339 1HD2 ASN 46 1HD2 ASN 46 -1.187 2.722 13.080 340 2HD2 ASN 46 2HD2 ASN 46 -2.288 3.770 12.278 341 H CYS 47 H CYS 47 3.778 5.762 12.210 342 HA CYS 47 HA CYS 47 5.466 3.882 13.591 343 1HB CYS 47 2HB CYS 47 7.483 5.076 12.506 344 2HB CYS 47 1HB CYS 47 6.603 3.946 11.491
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